A0A3Q0KPA4_SCHMA Loading...

Putative suppressor of potassium transport defect 3 (Skd3 protein)

AlphaFold DB , UniProt , Accession A0A3Q0KPA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 598 aa.

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(Predicted Aligned Error values between residue pairs)

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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	36.9	Very low	40	Very low	217 Å²	217	138.2 Å²	138.2	100%	1.069	70%	0.7	S	S	*	*				0	-16.8	0	-87.2	-167.2	142.2	0	0	114.6
2	T	40.5	Very low	40.1	Very low	125 Å²	125	137.1 Å²	137.1	77%	0.767	70%	0.697	S	S	*	*	H	α-helix	trans	-76.5	-19.1	-176.1	43.2	0	0	0	0	115.3
3	T	42.4	Very low	40.1	Very low	115 Å²	115	138.7 Å²	138.7	71%	0.706	70%	0.696	S	S	*	*	H	α-helix	trans	-79.7	-22.3	178.1	46.6	0	0	0	0	114
4	W	35.8	Very low	40.2	Very low	209 Å²	209	136.4 Å²	136.4	79%	0.792	69%	0.685	S	S	*	*	H	α-helix	trans	-78.3	-28.5	179.5	-100.8	57.9	0	0	0	113.7	C6	W4-C6 PolarHBondContact O-N 3.35Å
5	V	42.1	Very low	39.9	Very low	108 Å²	108	129.6 Å²	129.6	66%	0.655	66%	0.664	S	S	*	*	H	α-helix	trans	-73.3	-27	-178.4	-178.6	0	0	0	0	112.3
6	C	41.5	Very low	39.5	Very low	93 Å²	93	133.6 Å²	133.6	63%	0.628	67%	0.668	S	S	*	*	H	α-helix	trans	-77.9	-26.7	178.4	-72.2	0	0	0	0	113.7	W4	W4-C6 PolarHBondContact O-N 3.35Å
7	S	40.7	Very low	39.2	Very low	71 Å²	71	135.1 Å²	135.1	50%	0.497	67%	0.669	S	S	.	*	H	α-helix	trans	-75	-37.3	-179.8	-160.8	0	0	0	0	112.1	R9 K10 I11	S7-R9 VanDerWaalsContact C-N 3.31Å; S7-R9 PolarHBondContact O-N 3.17Å; S7-K10 PolarHBondContact O-N 3.37Å; S7-I11 PolarHBondContact O-N 3.3Å
8	L	39	Very low	39.4	Very low	105 Å²	105	133.9 Å²	133.9	55%	0.55	67%	0.665	S	S	.	*	H	α-helix	trans	-63.9	-33.4	178.6	-115.1	89.9	0	0	0	113.2	K10 I11 L12	L8-K10 PolarHBondContact O-N 3.24Å; L8-I11 PolarHBondContact O-N 2.72Å; L8-L12 PolarHBondContact O-N 3.2Å
9	R	37	Very low	39.5	Very low	205 Å²	205	133.7 Å²	133.7	77%	0.774	67%	0.666	S	S	*	*	H	α-helix	trans	-68.6	-31.7	178.3	-104.5	-177.2	174.1	-175.5	-1.2	113.2	S7 F13	S7-R9 VanDerWaalsContact C-N 3.31Å; S7-R9 PolarHBondContact O-N 3.17Å; R9-F13 PolarHBondContact O-N 3.41Å
10	K	38.5	Very low	39.7	Very low	161 Å²	161	132.6 Å²	132.6	70%	0.7	66%	0.661	S	S	*	*	H	α-helix	trans	-74.9	-34.9	176.4	-79	-176.2	176	179.7	0	112.3	S7 L8 F13 I14	S7-K10 PolarHBondContact O-N 3.37Å; L8-K10 PolarHBondContact O-N 3.24Å; K10-F13 PolarHBondContact O-N 3.11Å; K10-I14 WeakPolarHBondContact O-CG1 3.4Å; K10-I14 PolarHBondContact O-N 3.12Å
11	I	45.8	Very low	39.4	Very low	111 Å²	111	133.4 Å²	133.4	57%	0.569	66%	0.661	S	S	*	*	H	α-helix	trans	-68.9	-38.9	178.3	-63	169.3	0	0	0	111	S7 L8 F13 I14 G15	S7-I11 PolarHBondContact O-N 3.3Å; L8-I11 PolarHBondContact O-N 2.72Å; I11-F13 VanDerWaalsContact C-N 3.33Å; I11-F13 PolarHBondContact O-N 3.06Å; I11-I14 PolarHBondContact O-N 3.13Å; I11-G15 PolarHBondContact O-N 3.06Å; I11-G15 VanDerWaalsContact O-N 3.07Å
12	L	40.7	Very low	39.5	Very low	125 Å²	125	126.3 Å²	126.3	65%	0.654	63%	0.632	S	S	*	*	H	α-helix	trans	-65.5	-30.8	176.2	-102.1	142.7	0	0	0	113.8	L8 R16	L8-L12 PolarHBondContact O-N 3.2Å; L12-R16 PolarHBondContact O-N 3.09Å
13	F	39.9	Very low	39.5	Very low	158 Å²	158	123.3 Å²	123.3	69%	0.693	62%	0.62	S	S	*	*	H	α-helix	trans	-76	-30.6	176.3	-102.5	-85.4	0	0	0	113.4	R9 K10 I11	R9-F13 PolarHBondContact O-N 3.41Å; K10-F13 PolarHBondContact O-N 3.11Å; I11-F13 VanDerWaalsContact C-N 3.33Å; I11-F13 PolarHBondContact O-N 3.06Å
14	I	42.4	Very low	39.4	Very low	106 Å²	106	121.6 Å²	121.6	54%	0.544	61%	0.61	S	S	.	*	H	α-helix	trans	-75.4	-38.8	176.3	-67	161.4	0	0	0	110.4	K10 I11 R16 K17 I18	K10-I14 WeakPolarHBondContact O-CG1 3.4Å; K10-I14 PolarHBondContact O-N 3.12Å; I11-I14 PolarHBondContact O-N 3.13Å; I14-R16 VanDerWaalsContact C-N 3.31Å; I14-R16 PolarHBondContact O-N 3.12Å; I14-K17 PolarHBondContact O-N 2.66Å; I14-I18 HydrophobicContact CG2-CD1 3.96Å; I14-I18 WeakPolarHBondContact O-CG1 3.47Å; I14-I18 PolarHBondContact O-N 3.4Å
15	G	35.5	Very low	39.7	Very low	35 Å²	35	115.5 Å²	115.5	36%	0.361	60%	0.595	S	S	.	*	H	α-helix	trans	-60.2	-36.6	175.7	0	0	0	0	0	113.8	I11 I18 L19	I11-G15 PolarHBondContact O-N 3.06Å; I11-G15 VanDerWaalsContact O-N 3.07Å; G15-I18 PolarHBondContact O-N 3.49Å; G15-L19 PolarHBondContact O-N 3.23Å
16	R	33.9	Very low	39.3	Very low	194 Å²	194	120.5 Å²	120.5	73%	0.732	60%	0.602	S	S	*	*	H	α-helix	trans	-70.4	-32.8	179.2	-118.7	178.3	176	178.7	-1.9	113.6	L12 I14 I20	L12-R16 PolarHBondContact O-N 3.09Å; I14-R16 VanDerWaalsContact C-N 3.31Å; I14-R16 PolarHBondContact O-N 3.12Å; R16-I20 WeakPolarHBondContact O-CD1 3.46Å; R16-I20 WeakPolarHBondContact O-CG1 3.5Å
17	K	33.9	Very low	39	Very low	158 Å²	158	123.6 Å²	123.6	69%	0.687	60%	0.602	S	S	*	*	H	α-helix	trans	-72.9	-33.3	176.1	-81.7	-171.1	174.1	-175.9	0	112.7	I14 F21	I14-K17 PolarHBondContact O-N 2.66Å; K17-F21 PolarHBondContact O-N 3.16Å
18	I	43.4	Very low	38.6	Very low	115 Å²	115	128.3 Å²	128.3	59%	0.59	61%	0.614	S	S	*	*	H	α-helix	trans	-72.8	-35.9	-179.3	-64.2	168.7	0	0	0	111.4	I14 G15 S22	I14-I18 HydrophobicContact CG2-CD1 3.96Å; I14-I18 WeakPolarHBondContact O-CG1 3.47Å; I14-I18 PolarHBondContact O-N 3.4Å; G15-I18 PolarHBondContact O-N 3.49Å; I18-S22 PolarHBondContact O-N 3.11Å
19	L	39.8	Very low	38.1	Very low	130 Å²	130	132.2 Å²	132.2	68%	0.681	62%	0.621	S	S	*	*	H	α-helix	trans	-71.4	-31.5	178.9	-111.1	143	0	0	0	113.6	G15 S22	G15-L19 PolarHBondContact O-N 3.23Å; L19-S22 PolarHBondContact O-OG 2.92Å
20	I	44	Very low	38	Very low	110 Å²	110	129.3 Å²	129.3	56%	0.564	61%	0.614	S	S	*	*	H	α-helix	trans	-79.1	-32.3	178.6	-62.2	169.3	0	0	0	111.5	R16 T24	R16-I20 WeakPolarHBondContact O-CD1 3.46Å; R16-I20 WeakPolarHBondContact O-CG1 3.5Å; I20-T24 PolarHBondContact O-OG1 2.88Å
21	F	33.5	Very low	38	Very low	151 Å²	151	126 Å²	126	66%	0.662	60%	0.604	S	S	*	*	H	α-helix	trans	-71.7	-28.8	174	-98.4	-88.9	0	0	0	113.1	K17 T24 T25	K17-F21 PolarHBondContact O-N 3.16Å; F21-T24 PolarHBondContact O-OG1 3.46Å; F21-T25 PolarHBondContact O-N 3.04Å; F21-T25 PolarHBondContact O-OG1 3.16Å
22	S	39.2	Very low	37.5	Very low	68 Å²	68	124.2 Å²	124.2	48%	0.476	60%	0.6	S	S	.	*	H	α-helix	trans	-75.1	-36.4	178.7	74.8	0	0	0	0	112.8	I18 L19 R26	I18-S22 PolarHBondContact O-N 3.11Å; L19-S22 PolarHBondContact O-OG 2.92Å; S22-R26 WeakPolarHBondContact O-CB 3.49Å; S22-R26 PolarHBondContact O-N 3.23Å; S22-R26 VanDerWaalsContact O-N 3.11Å
23	A	40	Very low	37	Very low	62 Å²	62	125.1 Å²	125.1	51%	0.512	61%	0.606	S	S	.	*	H	α-helix	trans	-68.7	-43.2	179.9	0	0	0	0	0	112.8	T25 R26 Y27	A23-T25 PolarHBondContact O-N 3.3Å; A23-R26 PolarHBondContact O-N 3.33Å; A23-Y27 PolarHBondContact O-N 3.48Å; A23-Y27 VanDerWaalsContact O-N 3.16Å
24	T	41.1	Very low	36.8	Very low	79 Å²	79	126 Å²	126	49%	0.485	61%	0.61	S	S	.	*	H	α-helix	trans	-66.1	-37.9	178.6	46.1	0	0	0	0	112.3	I20 F21 K28	I20-T24 PolarHBondContact O-OG1 2.88Å; F21-T24 PolarHBondContact O-OG1 3.46Å; T24-K28 WeakPolarHBondContact O-CB 3.38Å; T24-K28 PolarHBondContact O-N 2.81Å; T24-K28 VanDerWaalsContact O-N 3.12Å
25	T	41.9	Very low	36.3	Very low	80 Å²	80	123.3 Å²	123.3	49%	0.491	60%	0.604	S	S	.	*	H	α-helix	trans	-74.8	-34	179.6	-39.2	0	0	0	0	112.4	F21 A23 R29	F21-T25 PolarHBondContact O-N 3.04Å; F21-T25 PolarHBondContact O-OG1 3.16Å; A23-T25 PolarHBondContact O-N 3.3Å; T25-R29 PolarHBondContact O-N 2.91Å
26	R	33.6	Very low	35.9	Very low	213 Å²	213	131.8 Å²	131.8	80%	0.804	63%	0.626	S	S	*	*	H	α-helix	trans	-70.1	-37.8	177.1	-131.2	176.2	-169.3	179.6	2.5	112	S22 A23 F30	S22-R26 WeakPolarHBondContact O-CB 3.49Å; S22-R26 PolarHBondContact O-N 3.23Å; S22-R26 VanDerWaalsContact O-N 3.11Å; A23-R26 PolarHBondContact O-N 3.33Å; R26-F30 PolarHBondContact O-N 3.3Å; R26-F30 VanDerWaalsContact O-N 3.12Å
27	Y	34.4	Very low	35.6	Very low	159 Å²	159	128.6 Å²	128.6	62%	0.624	63%	0.63	S	S	*	*	H	α-helix	trans	-77.1	-37.3	180	-159.3	-106.8	0	0	0	112.8	A23 R29 F30 I31	A23-Y27 PolarHBondContact O-N 3.48Å; A23-Y27 VanDerWaalsContact O-N 3.16Å; Y27-R29 VanDerWaalsContact C-N 3.31Å; Y27-R29 PolarHBondContact O-N 3.22Å; Y27-F30 WeakPolarHBondContact O-CB 3.47Å; Y27-F30 PolarHBondContact O-N 3.34Å; Y27-F30 VanDerWaalsContact O-N 3.09Å; Y27-I31 HydrophobicContact CD1-CD1 3.73Å; Y27-I31 HydrophobicContact CD1-CG1 4.46Å; Y27-I31 HydrophobicContact CE1-CD1 3.31Å; Y27-I31 HydrophobicContact CE1-CG1 4.22Å; Y27-I31 PolarHBondContact O-N 3.43Å
28	K	32.4	Very low	35.5	Very low	170 Å²	170	125.9 Å²	125.9	74%	0.739	63%	0.631	S	S	*	*	H	α-helix	trans	-62.4	-35.2	170.8	-104.5	-177.3	174	179.8	0	112.8	T24 S32	T24-K28 WeakPolarHBondContact O-CB 3.38Å; T24-K28 PolarHBondContact O-N 2.81Å; T24-K28 VanDerWaalsContact O-N 3.12Å; K28-S32 WeakPolarHBondContact O-CB 3.34Å; K28-S32 PolarHBondContact O-N 3.11Å; K28-S32 PolarHBondContact O-OG 3.23Å
29	R	30.1	Very low	35.1	Very low	187 Å²	187	126 Å²	126	71%	0.706	64%	0.643	S	S	*	*	H	α-helix	trans	-69.7	-30.8	171.5	-97.5	-177.9	172.5	170	-1.5	113.2	T25 Y27	T25-R29 PolarHBondContact O-N 2.91Å; Y27-R29 VanDerWaalsContact C-N 3.31Å; Y27-R29 PolarHBondContact O-N 3.22Å
30	F	34.3	Very low	34.4	Very low	144 Å²	144	131.9 Å²	131.9	63%	0.632	66%	0.656	S	S	*	*	H	α-helix	trans	-70.9	-38.8	177.3	-157.7	-97.3	0	0	0	112	R26 Y27	R26-F30 PolarHBondContact O-N 3.3Å; R26-F30 VanDerWaalsContact O-N 3.12Å; Y27-F30 WeakPolarHBondContact O-CB 3.47Å; Y27-F30 PolarHBondContact O-N 3.34Å; Y27-F30 VanDerWaalsContact O-N 3.09Å
31	I	37.5	Very low	33.5	Very low	92 Å²	92	137.7 Å²	137.7	47%	0.472	67%	0.671	S	S	.	*	H	α-helix	trans	-80.1	-36.8	179.7	-65	176.6	0	0	0	112.4	Y27 N33 F34 A35	Y27-I31 HydrophobicContact CD1-CD1 3.73Å; Y27-I31 HydrophobicContact CD1-CG1 4.46Å; Y27-I31 HydrophobicContact CE1-CD1 3.31Å; Y27-I31 HydrophobicContact CE1-CG1 4.22Å; Y27-I31 PolarHBondContact O-N 3.43Å; I31-N33 VanDerWaalsContact C-N 3.26Å; I31-N33 PolarHBondContact O-N 3.06Å; I31-F34 PolarHBondContact O-N 3.31Å; I31-F34 VanDerWaalsContact O-N 3.11Å; I31-A35 PolarHBondContact O-N 3.17Å
32	S	37.1	Very low	33.4	Very low	72 Å²	72	140.5 Å²	140.5	50%	0.503	68%	0.683	S	S	.	*	H	α-helix	trans	-68.7	-20.3	179.8	48.9	0	0	0	0	114.3	K28	K28-S32 WeakPolarHBondContact O-CB 3.34Å; K28-S32 PolarHBondContact O-N 3.11Å; K28-S32 PolarHBondContact O-OG 3.23Å
33	N	30.1	Very low	32.8	Very low	144 Å²	144	143.2 Å²	143.2	77%	0.77	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-12.7	172.7	-79.9	-7.6	0	0	0	113.7	I31	I31-N33 VanDerWaalsContact C-N 3.26Å; I31-N33 PolarHBondContact O-N 3.06Å
34	F	34.8	Very low	32.3	Very low	178 Å²	178	149.2 Å²	149.2	78%	0.781	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-17	179.6	-107.4	-85.4	0	0	0	113.8	I31	I31-F34 PolarHBondContact O-N 3.31Å; I31-F34 VanDerWaalsContact O-N 3.11Å
35	A	31.3	Very low	31.8	Very low	49 Å²	49	152.4 Å²	152.4	41%	0.405	73%	0.725	S	S	.	*	S	Bend	trans	-94	120.2	173.7	0	0	0	0	0	109.4	I31	I31-A35 PolarHBondContact O-N 3.17Å
36	Y	27.7	Very low	31.6	Very low	212 Å²	212	153.9 Å²	153.9	83%	0.831	74%	0.736	S	S	*	*			trans	87.2	77	170.8	-48.8	-76	0	0	0	118.4	S38	Y36-S38 PolarHBondContact O-N 2.82Å
37	P	28.5	Very low	31.7	Very low	127 Å²	127	151.1 Å²	151.1	83%	0.825	74%	0.736	S	S	*	*			trans	-81.5	96.1	154.4	32.2	-24.1	0	0	0	108.6
38	S	30.7	Very low	31.5	Very low	101 Å²	101	151.8 Å²	151.8	71%	0.706	74%	0.743	S	S	*	*			trans	-95.4	136.3	160.3	59.4	0	0	0	0	108.5	Y36	Y36-S38 PolarHBondContact O-N 2.82Å
39	S	34.9	Very low	31.7	Very low	118 Å²	118	148.3 Å²	148.3	83%	0.825	75%	0.745	S	S	*	*			trans	76	82.3	-178.8	73.9	0	0	0	0	117.2	R41	S39-R41 PolarHBondContact O-N 3.32Å
40	W	25.7	Very low	31.9	Very low	253 Å²	253	147.6 Å²	147.6	96%	0.958	75%	0.754	S	S	*	*			trans	-54.1	119.5	151.8	-82.6	-5.9	0	0	0	111.2
41	R	25.7	Very low	32	Very low	233 Å²	233	143.8 Å²	143.8	88%	0.879	75%	0.75	S	S	*	*			trans	-173.4	89.1	145.7	-101.9	173.6	-163.6	-168.3	5.4	108.1	S39	S39-R41 PolarHBondContact O-N 3.32Å
42	F	30.1	Very low	31.9	Very low	209 Å²	209	147.2 Å²	147.2	92%	0.917	76%	0.761	S	S	*	*			trans	-165.7	108.1	138.1	-101.4	-71.1	0	0	0	108.7
43	T	28	Very low	31.7	Very low	125 Å²	125	149.1 Å²	149.1	77%	0.767	77%	0.772	S	S	*	*			trans	-51	141.6	160.5	45.9	0	0	0	0	111.4
44	K	28.8	Very low	32.1	Very low	189 Å²	189	148.2 Å²	148.2	82%	0.822	77%	0.772	S	S	*	*			trans	103.4	77	173.4	-61.2	-172.4	178.6	-175.9	0	115.5
45	L	30.1	Very low	32.2	Very low	146 Å²	146	145.4 Å²	145.4	76%	0.764	76%	0.764	S	S	*	*			trans	-151.2	55.9	144.1	-107.1	158	0	0	0	111.5	L47 F48	L45-L47 VanDerWaalsContact C-N 3.3Å; L45-L47 PolarHBondContact O-N 3.1Å; L45-F48 HydrophobicContact CD2-CD2 4.32Å
46	P	38.6	Very low	32.3	Very low	111 Å²	111	149.5 Å²	149.5	72%	0.721	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	82	162.5	35	-26.1	0	0	0	107.6
47	L	34.9	Very low	32.5	Very low	155 Å²	155	145.8 Å²	145.8	81%	0.812	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.1	-2.3	163.6	-109.7	137.2	0	0	0	115.7	L45	L45-L47 VanDerWaalsContact C-N 3.3Å; L45-L47 PolarHBondContact O-N 3.1Å
48	F	30.6	Very low	32.5	Very low	173 Å²	173	146.4 Å²	146.4	76%	0.759	77%	0.765	S	S	*	*	S	Bend	trans	-100.7	-6.3	174.4	-97.5	-82.9	0	0	0	115.2	L45	L45-F48 HydrophobicContact CD2-CD2 4.32Å
49	A	35.9	Very low	32.7	Very low	96 Å²	96	147.2 Å²	147.2	79%	0.793	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-6.4	-179.2	0	0	0	0	0	114.7
50	L	35.7	Very low	32.7	Very low	172 Å²	172	146.3 Å²	146.3	90%	0.901	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	4.6	-178.1	-78.6	170.6	0	0	0	114.7
51	A	35.4	Very low	33	Very low	64 Å²	64	137.9 Å²	137.9	53%	0.529	74%	0.742	S	S	.	*	S	Bend	trans	-94.7	-3.8	-178.6	0	0	0	0	0	115.2
52	F	35.9	Very low	33.1	Very low	164 Å²	164	133.7 Å²	133.7	72%	0.719	73%	0.731	S	S	*	*			trans	-130.3	97.5	178.3	-69.6	-77.1	0	0	0	110.7	T54	F52-T54 PolarHBondContact O-N 3.35Å; F52-T54 VanDerWaalsContact O-N 3.13Å
53	P	33.4	Very low	33.3	Very low	112 Å²	112	129.1 Å²	129.1	73%	0.727	72%	0.716	S	S	*	*			trans	-62.6	119.1	167.9	26.8	-29.1	0	0	0	107.1	I55	P53-I55 PolarHBondContact O-N 3.47Å
54	T	37.3	Very low	33.6	Very low	125 Å²	125	129.6 Å²	129.6	77%	0.767	71%	0.713	S	S	*	*			trans	1.4	83	164.3	54.8	0	0	0	0	114.2	F52 Q56	F52-T54 PolarHBondContact O-N 3.35Å; F52-T54 VanDerWaalsContact O-N 3.13Å; T54-Q56 PolarHBondContact O-N 2.92Å
55	I	38.1	Very low	33.8	Very low	120 Å²	120	125.8 Å²	125.8	62%	0.615	70%	0.702	S	S	*	*			trans	-65.1	101.8	155.8	-62.6	172.1	0	0	0	103.5	P53 L57	P53-I55 PolarHBondContact O-N 3.47Å; I55-L57 PolarHBondContact O-N 3.22Å
56	Q	31.9	Very low	34.2	Very low	135 Å²	135	128.8 Å²	128.8	63%	0.631	70%	0.703	S	S	*	*			trans	-48.3	107.7	169.9	-76.1	-112	-34.4	0	0	107.4	T54 N58 T59	T54-Q56 PolarHBondContact O-N 2.92Å; Q56-N58 PolarHBondContact O-N 3.42Å; Q56-T59 PolarHBondContact O-N 3.45Å; Q56-T59 PolarHBondContact O-OG1 3.1Å
57	L	31.7	Very low	34	Very low	134 Å²	134	132 Å²	132	70%	0.702	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	2.1	178.8	-94.8	144.7	0	0	0	114	I55	I55-L57 PolarHBondContact O-N 3.22Å
58	N	29.1	Very low	34.3	Very low	139 Å²	139	132.5 Å²	132.5	74%	0.743	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-12	173.5	-78.7	0.7	0	0	0	114.4	Q56	Q56-N58 PolarHBondContact O-N 3.42Å
59	T	34.6	Very low	35.1	Very low	118 Å²	118	130.7 Å²	130.7	72%	0.724	70%	0.7	S	S	*	*	S	Bend	trans	-86.9	-17.6	178.4	52.2	0	0	0	0	113.6	Q56	Q56-T59 PolarHBondContact O-N 3.45Å; Q56-T59 PolarHBondContact O-OG1 3.1Å
60	I	35	Very low	36.1	Very low	100 Å²	100	129.3 Å²	129.3	51%	0.513	68%	0.682	S	S	.	*	S	Bend	trans	-89.7	109.8	160.2	-52.5	170.5	0	0	0	103.7	F62	I60-F62 HydrophobicContact CB-CD2 4.18Å; I60-F62 HydrophobicContact CG2-CD2 3.61Å; I60-F62 HydrophobicContact CG2-CE2 3.72Å; I60-F62 PolarHBondContact O-N 3.23Å
61	G	31.5	Very low	38.2	Very low	76 Å²	76	124.3 Å²	124.3	78%	0.784	66%	0.657	S	S	*	*			trans	-62.1	61.4	-177	0	0	0	0	0	114.4	D63	G61-D63 PolarHBondContact O-N 3.47Å
62	F	28.2	Very low	40.5	Very low	145 Å²	145	121.5 Å²	121.5	64%	0.636	63%	0.632	S	S	*	*			trans	-76.1	82.5	164.2	-89.9	-81	0	0	0	107.3	I60 L64	I60-F62 HydrophobicContact CB-CD2 4.18Å; I60-F62 HydrophobicContact CG2-CD2 3.61Å; I60-F62 HydrophobicContact CG2-CE2 3.72Å; I60-F62 PolarHBondContact O-N 3.23Å; F62-L64 PolarHBondContact O-N 3.01Å
63	D	34.7	Very low	43	Very low	112 Å²	112	114.3 Å²	114.3	60%	0.599	60%	0.601	S	S	*	*			trans	-67.1	96.6	171.8	-153.9	-10.1	0	0	0	108.7	G61 N65 R66	G61-D63 PolarHBondContact O-N 3.47Å; D63-N65 PolarHBondContact O-N 2.95Å; D63-R66 PolarHBondContact O-N 3.07Å; D63-R66 VanDerWaalsContact O-N 3.1Å
64	L	34.8	Very low	45.6	Very low	135 Å²	135	114.9 Å²	114.9	71%	0.707	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-58.8	-15.6	-177.4	-72.5	167.5	0	0	0	112.9	F62 R66 F67	F62-L64 PolarHBondContact O-N 3.01Å; L64-R66 VanDerWaalsContact C-N 3.3Å; L64-R66 PolarHBondContact O-N 2.64Å; L64-F67 PolarHBondContact O-N 3.35Å
65	N	32.8	Very low	47.9	Very low	110 Å²	110	109.1 Å²	109.1	59%	0.588	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-71.4	-18.1	176.2	-79.5	-24.5	0	0	0	114	D63 F67 K68	D63-N65 PolarHBondContact O-N 2.95Å; N65-F67 PolarHBondContact O-N 3.31Å; N65-K68 PolarHBondContact O-N 3.43Å
66	R	38.3	Very low	50.2	Low	208 Å²	208	103.4 Å²	103.4	79%	0.785	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-60.2	-26.7	173	-95.8	-169.7	-169.9	-176.3	3.7	113.4	D63 L64 K68	D63-R66 PolarHBondContact O-N 3.07Å; D63-R66 VanDerWaalsContact O-N 3.1Å; L64-R66 VanDerWaalsContact C-N 3.3Å; L64-R66 PolarHBondContact O-N 2.64Å; R66-K68 VanDerWaalsContact C-N 3.31Å; R66-K68 PolarHBondContact O-N 3.07Å
67	F	35	Very low	52.9	Low	178 Å²	178	100.4 Å²	100.4	78%	0.781	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-78.5	-8.7	-179.2	-75.3	-77.4	0	0	0	114.3	L64 N65	L64-F67 PolarHBondContact O-N 3.35Å; N65-F67 PolarHBondContact O-N 3.31Å
68	K	40	Very low	55.5	Low	166 Å²	166	97.6 Å²	97.6	72%	0.722	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-33.4	-176.7	-78.2	-173	178.3	177.3	0	114.6	N65 R66	N65-K68 PolarHBondContact O-N 3.43Å; R66-K68 VanDerWaalsContact C-N 3.31Å; R66-K68 PolarHBondContact O-N 3.07Å
69	N	48	Very low	58	Low	136 Å²	136	96.3 Å²	96.3	73%	0.727	50%	0.5	S	S	*	.	S	Bend	trans	-110.6	111.2	173.2	-74.5	-18.2	0	0	0	107.6	D71	N69-D71 PolarHBondContact O-N 3.31Å; N69-D71 VanDerWaalsContact O-N 3.13Å
70	P	56.7	Low	60.2	Low	66 Å²	66	93.9 Å²	93.9	43%	0.429	48%	0.483	S	S	.	.			trans	-60.4	123.1	176.6	25.6	-32	0	0	0	108.4	I87	P70-I87 HydrophobicContact CG-CD1 4.19Å; P70-I87 WeakPolarHBondContact O-CD1 3.32Å
71	D	79.5	Confident	62.2	Low	68 Å²	68	96 Å²	96	36%	0.364	48%	0.484	S	S	.	.			trans	-58.4	138.7	177.8	-166.9	-10.6	0	0	0	108.9	N69 F73 E74 C75	N69-D71 PolarHBondContact O-N 3.31Å; N69-D71 VanDerWaalsContact O-N 3.13Å; D71-F73 PolarHBondContact O-N 3.31Å; D71-F73 WeakPolarHBondContact OD1-CD2 3.49Å; D71-E74 HydrophobicContact CB-CB 4.24Å; D71-E74 PolarHBondContact O-N 3.22Å; D71-C75 PolarHBondContact O-N 3.45Å
72	I	84.8	Confident	64.7	Low	4 Å²	4	98.5 Å²	98.5	2%	0.021	48%	0.479	C	S	.	.	H	α-helix	trans	-58	-34.4	-178.7	-168.4	169.3	0	0	0	110.5	C75 I76 I87 L88 A94 P105 L121	I72-C75 PolarHBondContact O-N 3.35Å; I72-I76 HydrophobicContact CG1-CD1 4.39Å; I72-I76 VanDerWaalsContact O-CG1 3.31Å; I72-I76 WeakPolarHBondContact O-CG1 3.48Å; I72-I76 PolarHBondContact O-N 3.17Å; I72-I87 HydrophobicContact CD1-CG2 4.48Å; I72-L88 HydrophobicContact CD1-CD2 4.28Å; I72-A94 HydrophobicContact CD1-CB 4.19Å; I72-P105 HydrophobicContact CD1-CB 4.14Å; I72-P105 HydrophobicContact CD1-CG 4.13Å; I72-P105 HydrophobicContact CG1-CB 4.38Å; I72-P105 HydrophobicContact CG2-CB 4.43Å; I72-P105 HydrophobicContact CG2-CG 3.85Å; I72-L121 HydrophobicContact CD1-CD2 4.16Å
73	F	88.4	Confident	67.3	Low	13 Å²	13	93.1 Å²	93.1	6%	0.057	46%	0.46	C	S	.	.	H	α-helix	trans	-66.2	-41.7	176.6	-60.7	-75.5	0	0	0	112.2	D71 C75 I76 L77 H99 W103 P105 L108	D71-F73 PolarHBondContact O-N 3.31Å; D71-F73 WeakPolarHBondContact OD1-CD2 3.49Å; F73-C75 VanDerWaalsContact C-N 3.35Å; F73-C75 PolarHBondContact O-N 3.4Å; F73-I76 PolarHBondContact O-N 2.83Å; F73-L77 WeakPolarHBondContact O-CG 3.46Å; F73-L77 PolarHBondContact O-N 3.44Å; F73-H99 HydrophobicContact CE1-CB 3.97Å; F73-H99 HydrophobicContact CE2-CB 4.15Å; F73-H99 HydrophobicContact CZ-CB 3.77Å; F73-W103 AromaticContact CD1-NE1 3.69Å; F73-W103 AromaticContact CE1-CD1 3.7Å; F73-W103 AromaticContact CE1-NE1 3.67Å; F73-P105 HydrophobicContact CE1-CB 4.34Å; F73-P105 HydrophobicContact CE1-CG 3.85Å; F73-P105 HydrophobicContact CZ-CG 3.88Å; F73-L108 HydrophobicContact CB-CD2 3.94Å; F73-L108 HydrophobicContact CD1-CD2 3.74Å; F73-L108 HydrophobicContact CG-CD2 4.35Å
74	E	86.8	Confident	69.7	Low	125 Å²	125	88.1 Å²	88.1	58%	0.584	43%	0.433	S	S	*	.	H	α-helix	trans	-67.5	-35.9	177.8	-171.5	175.8	-172	0	0	111.7	D71 I76 L77 S78	D71-E74 HydrophobicContact CB-CB 4.24Å; D71-E74 PolarHBondContact O-N 3.22Å; E74-I76 VanDerWaalsContact C-N 3.31Å; E74-I76 PolarHBondContact O-N 3.37Å; E74-L77 PolarHBondContact O-N 3.4Å; E74-S78 WeakPolarHBondContact O-CB 3.15Å; E74-S78 PolarHBondContact O-N 2.62Å; E74-S78 PolarHBondContact O-OG 2.76Å
75	C	85.9	Confident	71.9	Confident	4 Å²	4	83.2 Å²	83.2	3%	0.027	41%	0.41	C	S	.	.	H	α-helix	trans	-62.9	-37.8	173.8	-70.1	0	0	0	0	112.6	D71 I72 F73 S78 M79 N80 I87	D71-C75 PolarHBondContact O-N 3.45Å; I72-C75 PolarHBondContact O-N 3.35Å; F73-C75 VanDerWaalsContact C-N 3.35Å; F73-C75 PolarHBondContact O-N 3.4Å; C75-S78 WeakPolarHBondContact CA-OG 3.46Å; C75-S78 PolarHBondContact O-OG 2.81Å; C75-M79 PolarHBondContact O-N 3.05Å; C75-N80 PolarHBondContact O-N 2.67Å; C75-I87 HydrophobicContact CB-CD1 4.17Å; C75-I87 WeakPolarHBondContact SG-CD1 3.35Å
76	I	87.6	Confident	74.4	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-70.6	-45	177.3	-65.4	165.4	0	0	0	110.4	I72 F73 E74 S78 M79 L84 P105 L108 A109 L121	I72-I76 HydrophobicContact CG1-CD1 4.39Å; I72-I76 VanDerWaalsContact O-CG1 3.31Å; I72-I76 WeakPolarHBondContact O-CG1 3.48Å; I72-I76 PolarHBondContact O-N 3.17Å; F73-I76 PolarHBondContact O-N 2.83Å; E74-I76 VanDerWaalsContact C-N 3.31Å; E74-I76 PolarHBondContact O-N 3.37Å; I76-S78 PolarHBondContact O-N 3.05Å; I76-M79 PolarHBondContact O-N 3.46Å; I76-M79 VanDerWaalsContact O-N 3.1Å; I76-L84 HydrophobicContact CD1-CD1 4.24Å; I76-L84 HydrophobicContact CG1-CD1 3.5Å; I76-L84 VanDerWaalsContact CG1-CD1 3.5Å; I76-P105 HydrophobicContact CD1-CB 3.72Å; I76-P105 WeakPolarHBondContact CD1-O 3.4Å; I76-L108 HydrophobicContact CB-CD2 4.08Å; I76-L108 HydrophobicContact CB-CG 4.43Å; I76-L108 HydrophobicContact CG2-CB 4.47Å; I76-L108 HydrophobicContact CG2-CD2 4.07Å; I76-L108 HydrophobicContact CG2-CG 3.87Å; I76-A109 HydrophobicContact CG2-CB 4.07Å; I76-L121 HydrophobicContact CD1-CD1 4.07Å
77	L	86.9	Confident	76.6	Confident	71 Å²	71	72.8 Å²	72.8	37%	0.372	38%	0.375	S	S	.	.	H	α-helix	trans	-62.1	-40.1	177.8	-72.7	171.8	0	0	0	112.6	F73 E74 M79 L108 T112	F73-L77 WeakPolarHBondContact O-CG 3.46Å; F73-L77 PolarHBondContact O-N 3.44Å; E74-L77 PolarHBondContact O-N 3.4Å; L77-M79 PolarHBondContact O-N 2.98Å; L77-L108 HydrophobicContact CD2-CD1 3.97Å; L77-L108 HydrophobicContact CD2-CD2 4.45Å; L77-L108 HydrophobicContact CG-CD2 4.15Å; L77-T112 HydrophobicContact CD2-CG2 4.22Å
78	S	86.4	Confident	78.8	Confident	75 Å²	75	65.1 Å²	65.1	52%	0.524	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-3	176.5	58.6	0	0	0	0	113.9	E74 C75 I76 N80	E74-S78 WeakPolarHBondContact O-CB 3.15Å; E74-S78 PolarHBondContact O-N 2.62Å; E74-S78 PolarHBondContact O-OG 2.76Å; C75-S78 WeakPolarHBondContact CA-OG 3.46Å; C75-S78 PolarHBondContact O-OG 2.81Å; I76-S78 PolarHBondContact O-N 3.05Å; S78-N80 PolarHBondContact O-N 3.15Å; S78-N80 VanDerWaalsContact O-N 3.11Å
79	M	81.2	Confident	80.8	Confident	112 Å²	112	67.7 Å²	67.7	55%	0.552	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	27.1	-175.8	-59.3	-171.4	172.7	0	0	113.7	C75 I76 L77 R81	C75-M79 PolarHBondContact O-N 3.05Å; I76-M79 PolarHBondContact O-N 3.46Å; I76-M79 VanDerWaalsContact O-N 3.1Å; L77-M79 PolarHBondContact O-N 2.98Å; M79-R81 PolarHBondContact O-N 3.25Å
80	N	81.9	Confident	82.3	Confident	68 Å²	68	64.6 Å²	64.6	36%	0.364	35%	0.347	S	S	.	.			trans	-88	98.7	-177.6	-170.9	-14.2	0	0	0	111.6	C75 S78 N82 S83 L84	C75-N80 PolarHBondContact O-N 2.67Å; S78-N80 PolarHBondContact O-N 3.15Å; S78-N80 VanDerWaalsContact O-N 3.11Å; N80-N82 PolarHBondContact O-N 3.44Å; N80-N82 PolarHBondContact OD1-N 3.33Å; N80-S83 PolarHBondContact ND2-OG 3Å; N80-S83 PolarHBondContact OD1-N 3.44Å; N80-L84 PolarHBondContact O-N 3.32Å; N80-L84 VanDerWaalsContact O-N 3.16Å
81	R	77.6	Confident	83.3	Confident	145 Å²	145	63.7 Å²	63.7	55%	0.547	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-40.9	-177	-57.1	173.5	-163.9	-166	-4.4	113.3	M79 S83 L84 S85 E116	M79-R81 PolarHBondContact O-N 3.25Å; R81-S83 VanDerWaalsContact C-N 3.34Å; R81-S83 PolarHBondContact O-N 2.9Å; R81-L84 PolarHBondContact O-N 3.16Å; R81-S85 WeakPolarHBondContact O-CB 3.47Å; R81-S85 PolarHBondContact O-N 3.48Å; R81-S85 PolarHBondContact O-OG 3.44Å; R81-E116 WeakPolarHBondContact CD-OE2 3.4Å; R81-E116 IonicContact CZ-OE1 2.79Å; R81-E116 IonicContact CZ-OE2 3.07Å; R81-E116 IonicContact NE-OE1 2.68Å; R81-E116 IonicContact NE-OE2 3.5Å; R81-E116 PolarHBondContact NE-OE2 2.92Å; R81-E116 IonicContact NH1-OE1 3.09Å; R81-E116 PolarHBondContact NH1-OE1 2.92Å; R81-E116 IonicContact NH1-OE2 2.78Å; R81-E116 PolarHBondContact NH1-OE2 3.44Å; R81-E116 VanDerWaalsContact NH2-CD 3.32Å; R81-E116 IonicContact NH2-OE1 3.33Å; R81-E116 PolarHBondContact NH2-OE1 3.28Å; R81-E116 IonicContact NH2-OE2 3.73Å; R81-E116 PolarHBondContact NH2-OE2 3.29Å
82	N	84.4	Confident	83	Confident	127 Å²	127	68.4 Å²	68.4	68%	0.679	36%	0.36	S	S	*	.	H	α-helix	trans	-64.3	-44.7	-176.1	-68.7	-16.4	0	0	0	110	N80 S85 S86	N80-N82 PolarHBondContact O-N 3.44Å; N80-N82 PolarHBondContact OD1-N 3.33Å; N82-S85 PolarHBondContact O-N 3.48Å; N82-S85 PolarHBondContact O-OG 3.19Å; N82-S86 WeakPolarHBondContact O-CB 3.39Å; N82-S86 PolarHBondContact O-N 3.26Å
83	S	82.3	Confident	82.8	Confident	32 Å²	32	73 Å²	73	22%	0.224	39%	0.385	C	S	.	.	H	α-helix	trans	-62.1	-46.7	175.3	-59.6	0	0	0	0	112	N80 R81 S85 S86 I87	N80-S83 PolarHBondContact ND2-OG 3Å; N80-S83 PolarHBondContact OD1-N 3.44Å; R81-S83 VanDerWaalsContact C-N 3.34Å; R81-S83 PolarHBondContact O-N 2.9Å; S83-S85 PolarHBondContact O-N 3.22Å; S83-S86 PolarHBondContact O-N 3.44Å; S83-S86 VanDerWaalsContact O-N 3.15Å; S83-S86 PolarHBondContact O-OG 3.01Å; S83-I87 WeakPolarHBondContact O-CG1 3.36Å; S83-I87 PolarHBondContact O-N 3.13Å
84	L	83.7	Confident	82.3	Confident	7 Å²	7	72.7 Å²	72.7	4%	0.037	38%	0.384	C	S	.	.	H	α-helix	trans	-59.6	-47	177.7	-175.7	129.4	0	0	0	112	I76 N80 R81 S86 I87 L88 A117 E120	I76-L84 HydrophobicContact CD1-CD1 4.24Å; I76-L84 HydrophobicContact CG1-CD1 3.5Å; I76-L84 VanDerWaalsContact CG1-CD1 3.5Å; N80-L84 PolarHBondContact O-N 3.32Å; N80-L84 VanDerWaalsContact O-N 3.16Å; R81-L84 PolarHBondContact O-N 3.16Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 3.05Å; L84-I87 PolarHBondContact O-N 3.05Å; L84-L88 HydrophobicContact CD2-CD1 3.59Å; L84-L88 HydrophobicContact CD2-CG 4.42Å; L84-L88 HydrophobicContact CG-CD1 4.15Å; L84-L88 HydrophobicContact CG-CG 4.5Å; L84-L88 VanDerWaalsContact O-CG 3.32Å; L84-L88 WeakPolarHBondContact O-CG 3.43Å; L84-L88 PolarHBondContact O-N 3.19Å; L84-A117 HydrophobicContact CD1-CB 4.1Å; L84-E120 HydrophobicContact CD2-CB 3.8Å; L84-E120 HydrophobicContact CD2-CG 4.39Å
85	S	82.8	Confident	82.1	Confident	33 Å²	33	66.8 Å²	66.8	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-62.6	-33.9	177.3	73.5	0	0	0	0	112.8	R81 N82 S83 R89	R81-S85 WeakPolarHBondContact O-CB 3.47Å; R81-S85 PolarHBondContact O-N 3.48Å; R81-S85 PolarHBondContact O-OG 3.44Å; N82-S85 PolarHBondContact O-N 3.48Å; N82-S85 PolarHBondContact O-OG 3.19Å; S83-S85 PolarHBondContact O-N 3.22Å; S85-R89 WeakPolarHBondContact O-CB 3.3Å; S85-R89 VanDerWaalsContact O-CG 3.28Å; S85-R89 WeakPolarHBondContact O-CG 3.5Å; S85-R89 PolarHBondContact O-N 3.47Å; S85-R89 VanDerWaalsContact O-N 3.12Å
86	S	84.8	Confident	82	Confident	69 Å²	69	73.3 Å²	73.3	48%	0.483	39%	0.385	S	S	.	.	H	α-helix	trans	-70	-39.8	177	75.3	0	0	0	0	112.2	N82 S83 L84 R89 G90	N82-S86 WeakPolarHBondContact O-CB 3.39Å; N82-S86 PolarHBondContact O-N 3.26Å; S83-S86 PolarHBondContact O-N 3.44Å; S83-S86 VanDerWaalsContact O-N 3.15Å; S83-S86 PolarHBondContact O-OG 3.01Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 3.05Å; S86-R89 PolarHBondContact O-N 3.5Å; S86-G90 PolarHBondContact O-N 3.39Å
87	I	83.2	Confident	81.8	Confident	30 Å²	30	78 Å²	78	15%	0.154	41%	0.406	C	S	.	.	H	α-helix	trans	-65.4	-47.5	176	-67.2	166.9	0	0	0	110.1	P70 I72 C75 S83 L84 R89 G90 S91 A94	P70-I87 HydrophobicContact CG-CD1 4.19Å; P70-I87 WeakPolarHBondContact O-CD1 3.32Å; I72-I87 HydrophobicContact CD1-CG2 4.48Å; C75-I87 HydrophobicContact CB-CD1 4.17Å; C75-I87 WeakPolarHBondContact SG-CD1 3.35Å; S83-I87 WeakPolarHBondContact O-CG1 3.36Å; S83-I87 PolarHBondContact O-N 3.13Å; L84-I87 PolarHBondContact O-N 3.05Å; I87-R89 VanDerWaalsContact C-N 3.27Å; I87-R89 PolarHBondContact O-N 3.03Å; I87-G90 PolarHBondContact O-N 3.43Å; I87-S91 PolarHBondContact O-N 2.84Å; I87-A94 HydrophobicContact CG2-CB 4.2Å
88	L	82.9	Confident	82	Confident	17 Å²	17	79.1 Å²	79.1	9%	0.089	41%	0.406	C	S	.	.	H	α-helix	trans	-64.8	-30.6	-179.1	-67	178.5	0	0	0	113	I72 L84 V95 E120 L121 A124	I72-L88 HydrophobicContact CD1-CD2 4.28Å; L84-L88 HydrophobicContact CD2-CD1 3.59Å; L84-L88 HydrophobicContact CD2-CG 4.42Å; L84-L88 HydrophobicContact CG-CD1 4.15Å; L84-L88 HydrophobicContact CG-CG 4.5Å; L84-L88 VanDerWaalsContact O-CG 3.32Å; L84-L88 WeakPolarHBondContact O-CG 3.43Å; L84-L88 PolarHBondContact O-N 3.19Å; L88-V95 HydrophobicContact CD2-CG2 3.38Å; L88-E120 HydrophobicContact CD1-CB 3.96Å; L88-L121 HydrophobicContact CD1-CD2 4.46Å; L88-L121 HydrophobicContact CD2-CD2 4.03Å; L88-A124 HydrophobicContact CD1-CB 4.29Å; L88-A124 HydrophobicContact CD2-CB 4.07Å
89	R	81.4	Confident	82.2	Confident	219 Å²	219	76.6 Å²	76.6	83%	0.826	39%	0.386	S	S	*	.	H	α-helix	trans	-72.3	-35.4	171.1	-74.5	176.7	-172.3	178	4.4	112.4	S85 S86 I87	S85-R89 WeakPolarHBondContact O-CB 3.3Å; S85-R89 VanDerWaalsContact O-CG 3.28Å; S85-R89 WeakPolarHBondContact O-CG 3.5Å; S85-R89 PolarHBondContact O-N 3.47Å; S85-R89 VanDerWaalsContact O-N 3.12Å; S86-R89 PolarHBondContact O-N 3.5Å; I87-R89 VanDerWaalsContact C-N 3.27Å; I87-R89 PolarHBondContact O-N 3.03Å
90	G	78.7	Confident	82.5	Confident	71 Å²	71	75 Å²	75	73%	0.732	39%	0.385	S	S	*	.	H	α-helix	trans	-77.7	-36.2	-178.8	0	0	0	0	0	114.3	S86 I87	S86-G90 PolarHBondContact O-N 3.39Å; I87-G90 PolarHBondContact O-N 3.43Å
91	S	77.3	Confident	82.8	Confident	48 Å²	48	72 Å²	72	34%	0.336	37%	0.369	S	S	.	.			trans	-143.8	108	-177.8	-179.9	0	0	0	0	111.1	I87 D93 A94	I87-S91 PolarHBondContact O-N 2.84Å; S91-D93 VanDerWaalsContact C-N 3.28Å; S91-D93 PolarHBondContact O-N 2.91Å; S91-A94 WeakPolarHBondContact O-CB 3.36Å; S91-A94 PolarHBondContact OG-N 2.68Å
92	K	74.9	Confident	83.4	Confident	167 Å²	167	65.4 Å²	65.4	73%	0.726	35%	0.347	S	S	*	.	S	Bend	trans	-68.4	-29.1	172.7	-72.8	-172.2	178.2	-177.4	0	112.3	A94	K92-A94 VanDerWaalsContact C-N 3.29Å; K92-A94 PolarHBondContact O-N 3.41Å
93	D	79.1	Confident	83.9	Confident	101 Å²	101	59.3 Å²	59.3	54%	0.54	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-76	-17.6	-178.2	-69.5	-45.1	0	0	0	113.1	S91 V95 K96	S91-D93 VanDerWaalsContact C-N 3.28Å; S91-D93 PolarHBondContact O-N 2.91Å; D93-V95 PolarHBondContact O-N 3.36Å; D93-K96 PolarHBondContact O-N 3.44Å; D93-K96 IonicContact OD1-NZ 3.05Å; D93-K96 PolarHBondContact OD1-NZ 3.49Å
94	A	78.7	Confident	84.4	Confident	5 Å²	5	57.9 Å²	57.9	4%	0.041	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-56.1	-24.9	174.7	0	0	0	0	0	113	I72 I87 S91 K92 K96 E97	I72-A94 HydrophobicContact CD1-CB 4.19Å; I87-A94 HydrophobicContact CG2-CB 4.2Å; S91-A94 WeakPolarHBondContact O-CB 3.36Å; S91-A94 PolarHBondContact OG-N 2.68Å; K92-A94 VanDerWaalsContact C-N 3.29Å; K92-A94 PolarHBondContact O-N 3.41Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 2.95Å; A94-E97 WeakPolarHBondContact O-CB 3.31Å; A94-E97 PolarHBondContact O-N 2.88Å
95	V	81.8	Confident	84.8	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-69.3	-27.6	177.8	-174.9	0	0	0	0	112.5	L88 D93 L121 A124	L88-V95 HydrophobicContact CD2-CG2 3.38Å; D93-V95 PolarHBondContact O-N 3.36Å; V95-L121 HydrophobicContact CG1-CD2 4.29Å; V95-L121 HydrophobicContact CG2-CD2 4.3Å; V95-A124 HydrophobicContact CG2-CB 3.83Å
96	K	83.6	Confident	85.4	Confident	140 Å²	140	56 Å²	56	61%	0.609	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-88.9	-7.6	-179.4	-61.7	174.7	-174.1	159	0	112.8	D93 A94	D93-K96 PolarHBondContact O-N 3.44Å; D93-K96 IonicContact OD1-NZ 3.05Å; D93-K96 PolarHBondContact OD1-NZ 3.49Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 2.95Å
97	E	85	Confident	85.9	Confident	98 Å²	98	52.8 Å²	52.8	46%	0.458	27%	0.269	S	S	.	.			trans	-62.6	142.3	179	-69	-178.9	-174.3	0	0	110.3	A94 P105	A94-E97 WeakPolarHBondContact O-CB 3.31Å; A94-E97 PolarHBondContact O-N 2.88Å; E97-P105 WeakPolarHBondContact O-CD 3.37Å
98	R	89.5	Confident	86.4	Confident	95 Å²	95	51.3 Å²	51.3	36%	0.358	26%	0.261	S	S	.	.			trans	-111.7	138	176.5	-73.4	-179	172	-96.5	2.1	109	G102 T104 V131	R98-G102 PolarHBondContact NH1-O 3.41Å; R98-T104 HydrophobicContact CG-CG2 4.3Å; R98-V131 PolarHBondContact NH1-O 2.93Å; R98-V131 PolarHBondContact NH2-O 2.98Å
99	H	91	Very high	86.9	Confident	23 Å²	23	50.5 Å²	50.5	11%	0.106	26%	0.257	C	S	.	.			trans	-62	154.6	169.7	-169.6	-98.8	0	0	0	109.7	F73 L101 G102 W103 Q158	F73-H99 HydrophobicContact CE1-CB 3.97Å; F73-H99 HydrophobicContact CE2-CB 4.15Å; F73-H99 HydrophobicContact CZ-CB 3.77Å; H99-L101 PolarHBondContact ND1-N 3.31Å; H99-L101 PolarHBondContact O-N 3Å; H99-G102 PolarHBondContact O-N 3.2Å; H99-W103 HydrophobicContact CB-CD2 3.73Å; H99-W103 VanDerWaalsContact CB-CE2 3.45Å; H99-W103 HydrophobicContact CB-CE3 4.39Å; H99-W103 HydrophobicContact CB-CG 4Å; H99-W103 HydrophobicContact CB-CZ2 3.95Å; H99-W103 AromaticContact CD2-CZ2 3.86Å; H99-W103 AromaticContact CE1-CH2 3.58Å; H99-W103 AromaticContact CE1-CZ2 3.51Å; H99-W103 AromaticContact CG-CE2 3.4Å; H99-W103 AromaticContact CG-CH2 3.95Å; H99-W103 AromaticContact CG-CZ2 3.33Å; H99-W103 AromaticContact CG-NE1 3.73Å; H99-W103 PolarHBondContact N-O 3.47Å; H99-W103 AromaticContact ND1-CE2 3.54Å; H99-W103 AromaticContact ND1-CH2 3.21Å; H99-W103 WeakPolarHBondContact ND1-CH2 3.44Å; H99-W103 AromaticContact ND1-CZ2 3.09Å; H99-W103 WeakPolarHBondContact ND1-CZ2 3.28Å; H99-W103 AromaticContact ND1-CZ3 3.71Å; H99-W103 AromaticContact NE2-CZ2 3.97Å; H99-Q158 PolarHBondContact CE1-OE1 2.92Å; H99-Q158 PolarHBondContact NE2-OE1 2.67Å
100	S	87.7	Confident	87.6	Confident	77 Å²	77	40.1 Å²	40.1	54%	0.538	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.5	-179.1	57.3	0	0	0	0	113.6	L144	S100-L144 WeakPolarHBondContact O-CD1 3.49Å
101	L	89.4	Confident	88.3	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.5	177.6	-64.6	-168.5	0	0	0	114.6	H99 W103 Y134 T140 L144 V151 I154 R155	H99-L101 PolarHBondContact ND1-N 3.31Å; H99-L101 PolarHBondContact O-N 3Å; L101-W103 HydrophobicContact CB-CE3 3.73Å; L101-W103 HydrophobicContact CB-CH2 3.99Å; L101-W103 HydrophobicContact CB-CZ3 3.26Å; L101-W103 HydrophobicContact CD1-CH2 3.83Å; L101-W103 HydrophobicContact CD1-CZ3 3.59Å; L101-W103 HydrophobicContact CG-CH2 4.25Å; L101-W103 HydrophobicContact CG-CZ3 3.92Å; L101-Y134 HydrophobicContact CB-CD2 4.25Å; L101-Y134 HydrophobicContact CD1-CE2 4.34Å; L101-T140 HydrophobicContact CD2-CG2 3.81Å; L101-L144 HydrophobicContact CD2-CD1 3.49Å; L101-L144 VanDerWaalsContact CD2-CD1 3.49Å; L101-V151 HydrophobicContact CD1-CG1 4.24Å; L101-V151 HydrophobicContact CD2-CG1 4.04Å; L101-V151 HydrophobicContact CD2-CG2 4.41Å; L101-I154 HydrophobicContact CD1-CB 3.87Å; L101-I154 HydrophobicContact CD1-CG2 3.43Å; L101-I154 VanDerWaalsContact CD1-CG2 3.43Å; L101-I154 HydrophobicContact CG-CG2 4.04Å; L101-R155 HydrophobicContact CD1-CB 4.35Å
102	G	90	Very high	89	Confident	7 Å²	7	36.7 Å²	36.7	7%	0.072	18%	0.181	C	C	.	.	S	Bend	trans	116.6	-12.6	165.9	0	0	0	0	0	118.2	R98 H99	R98-G102 PolarHBondContact NH1-O 3.41Å; H99-G102 PolarHBondContact O-N 3.2Å
103	W	93.2	Very high	89.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.			trans	-83.9	159.8	-177.6	65.3	84	0	0	0	113.4	F73 H99 L101 M107 D132 I154 Q158 F159	F73-W103 AromaticContact CD1-NE1 3.69Å; F73-W103 AromaticContact CE1-CD1 3.7Å; F73-W103 AromaticContact CE1-NE1 3.67Å; H99-W103 HydrophobicContact CB-CD2 3.73Å; H99-W103 VanDerWaalsContact CB-CE2 3.45Å; H99-W103 HydrophobicContact CB-CE3 4.39Å; H99-W103 HydrophobicContact CB-CG 4Å; H99-W103 HydrophobicContact CB-CZ2 3.95Å; H99-W103 AromaticContact CD2-CZ2 3.86Å; H99-W103 AromaticContact CE1-CH2 3.58Å; H99-W103 AromaticContact CE1-CZ2 3.51Å; H99-W103 AromaticContact CG-CE2 3.4Å; H99-W103 AromaticContact CG-CH2 3.95Å; H99-W103 AromaticContact CG-CZ2 3.33Å; H99-W103 AromaticContact CG-NE1 3.73Å; H99-W103 PolarHBondContact N-O 3.47Å; H99-W103 AromaticContact ND1-CE2 3.54Å; H99-W103 AromaticContact ND1-CH2 3.21Å; H99-W103 WeakPolarHBondContact ND1-CH2 3.44Å; H99-W103 AromaticContact ND1-CZ2 3.09Å; H99-W103 WeakPolarHBondContact ND1-CZ2 3.28Å; H99-W103 AromaticContact ND1-CZ3 3.71Å; H99-W103 AromaticContact NE2-CZ2 3.97Å; L101-W103 HydrophobicContact CB-CE3 3.73Å; L101-W103 HydrophobicContact CB-CH2 3.99Å; L101-W103 HydrophobicContact CB-CZ3 3.26Å; L101-W103 HydrophobicContact CD1-CH2 3.83Å; L101-W103 HydrophobicContact CD1-CZ3 3.59Å; L101-W103 HydrophobicContact CG-CH2 4.25Å; L101-W103 HydrophobicContact CG-CZ3 3.92Å; W103-M107 HydrophobicContact CB-CB 4.4Å; W103-M107 HydrophobicContact CB-SD 3.92Å; W103-D132 PolarHBondContact N-OD1 3.02Å; W103-I154 HydrophobicContact CH2-CG2 4.2Å; W103-Q158 HydrophobicContact CZ2-CB 4.2Å; W103-F159 HydrophobicContact CB-CD2 4.23Å; W103-F159 HydrophobicContact CB-CE2 3.85Å; W103-F159 AromaticContact CD1-CD2 3.76Å; W103-F159 AromaticContact CD1-CE2 3.99Å; W103-F159 HydrophobicContact CD2-CB 4.36Å; W103-F159 AromaticContact CD2-CD2 3.64Å; W103-F159 HydrophobicContact CD2-CD2 3.64Å; W103-F159 HydrophobicContact CD2-CE2 4.19Å; W103-F159 HydrophobicContact CD2-CG 4.19Å; W103-F159 AromaticContact CE2-CD2 3.75Å; W103-F159 HydrophobicContact CE3-CB 4.42Å; W103-F159 HydrophobicContact CE3-CD2 4.23Å; W103-F159 HydrophobicContact CE3-CG 4.36Å; W103-F159 AromaticContact CG-CD2 3.64Å; W103-F159 HydrophobicContact CG-CD2 3.64Å; W103-F159 AromaticContact CG-CE2 3.75Å; W103-F159 HydrophobicContact CG-CE2 3.75Å; W103-F159 HydrophobicContact CH2-CB 3.8Å; W103-F159 HydrophobicContact CZ2-CB 3.83Å; W103-F159 HydrophobicContact CZ2-CD2 4.37Å; W103-F159 HydrophobicContact CZ3-CB 4.08Å; W103-F159 HydrophobicContact CZ3-CG 4.47Å; W103-F159 AromaticContact NE1-CD2 3.85Å
104	T	93.6	Very high	90.4	Very high	2 Å²	2	30 Å²	30	1%	0.012	15%	0.148	C	C	.	.			trans	-96.7	160	175.9	64.4	0	0	0	0	111.9	R98 L106 M107 L108 D130	R98-T104 HydrophobicContact CG-CG2 4.3Å; T104-L106 PolarHBondContact O-N 3.31Å; T104-M107 HydrophobicContact CG2-CE 4.2Å; T104-M107 PolarHBondContact O-N 3.25Å; T104-M107 VanDerWaalsContact O-N 3.12Å; T104-M107 WeakPolarHBondContact OG1-CG 3.32Å; T104-M107 PolarHBondContact OG1-N 3.33Å; T104-L108 PolarHBondContact O-N 3.42Å; T104-D130 HydrophobicContact CG2-CB 4.07Å
105	P	92.8	Very high	91.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-54.7	-36.5	174.3	-27.2	33.5	0	0	0	112.4	I72 F73 I76 E97 M107 L108 A109 L121	I72-P105 HydrophobicContact CD1-CB 4.14Å; I72-P105 HydrophobicContact CD1-CG 4.13Å; I72-P105 HydrophobicContact CG1-CB 4.38Å; I72-P105 HydrophobicContact CG2-CB 4.43Å; I72-P105 HydrophobicContact CG2-CG 3.85Å; F73-P105 HydrophobicContact CE1-CB 4.34Å; F73-P105 HydrophobicContact CE1-CG 3.85Å; F73-P105 HydrophobicContact CZ-CG 3.88Å; I76-P105 HydrophobicContact CD1-CB 3.72Å; I76-P105 WeakPolarHBondContact CD1-O 3.4Å; E97-P105 WeakPolarHBondContact O-CD 3.37Å; P105-M107 PolarHBondContact O-N 3.2Å; P105-L108 PolarHBondContact O-N 3.41Å; P105-A109 WeakPolarHBondContact O-CB 3.47Å; P105-A109 PolarHBondContact O-N 3.12Å; P105-L121 HydrophobicContact CB-CD1 4.17Å; P105-L121 HydrophobicContact CB-CD2 4.16Å
106	L	94.2	Very high	91.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-44.1	177.1	-177.4	66.9	0	0	0	112.2	T104 L108 A109 V110 V118 L121 L122 S126 P128 A174 L190	T104-L106 PolarHBondContact O-N 3.31Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 3.48Å; L106-A109 PolarHBondContact O-N 3.01Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.49Å; L106-V118 HydrophobicContact CD1-CB 4.44Å; L106-V118 HydrophobicContact CD1-CG1 3.92Å; L106-L121 HydrophobicContact CD1-CB 4.19Å; L106-L122 HydrophobicContact CD1-CD1 4.42Å; L106-L122 HydrophobicContact CD1-CD2 3.99Å; L106-L122 HydrophobicContact CD1-CG 3.86Å; L106-L122 HydrophobicContact CD2-CD2 3.76Å; L106-S126 WeakPolarHBondContact CB-OG 3.36Å; L106-P128 HydrophobicContact CD2-CB 4.39Å; L106-A174 HydrophobicContact CD2-CB 3.92Å; L106-A174 HydrophobicContact CG-CB 4.13Å; L106-L190 HydrophobicContact CD2-CD2 4.34Å
107	M	95.4	Very high	91.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-42.1	177.2	-65.7	165.9	-170.6	0	0	111.3	W103 T104 P105 V110 V111 D130 D132 F159 Y177	W103-M107 HydrophobicContact CB-CB 4.4Å; W103-M107 HydrophobicContact CB-SD 3.92Å; T104-M107 HydrophobicContact CG2-CE 4.2Å; T104-M107 PolarHBondContact O-N 3.25Å; T104-M107 VanDerWaalsContact O-N 3.12Å; T104-M107 WeakPolarHBondContact OG1-CG 3.32Å; T104-M107 PolarHBondContact OG1-N 3.33Å; P105-M107 PolarHBondContact O-N 3.2Å; M107-V110 PolarHBondContact O-N 2.56Å; M107-V111 VanDerWaalsContact O-CG2 3.27Å; M107-V111 WeakPolarHBondContact O-CG2 3.47Å; M107-V111 PolarHBondContact O-N 3.03Å; M107-D130 WeakPolarHBondContact CE-O 3.37Å; M107-D132 HydrophobicContact CE-CB 4.28Å; M107-D132 VanDerWaalsContact CE-N 3.32Å; M107-D132 HydrophobicContact SD-CB 3.89Å; M107-F159 HydrophobicContact CB-CE2 4.02Å; M107-F159 HydrophobicContact CB-CZ 4.31Å; M107-Y177 HydrophobicContact CB-CD2 4.17Å; M107-Y177 HydrophobicContact CB-CE2 4.27Å; M107-Y177 HydrophobicContact CG-CD2 4.01Å; M107-Y177 HydrophobicContact CG-CE2 4.06Å; M107-Y177 HydrophobicContact SD-CE2 4.01Å
108	L	94	Very high	92.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.2	-42.3	176.3	-179.4	64.1	0	0	0	111.6	F73 I76 L77 T104 P105 L106 V110 V111 T112 Q158 F159	F73-L108 HydrophobicContact CB-CD2 3.94Å; F73-L108 HydrophobicContact CD1-CD2 3.74Å; F73-L108 HydrophobicContact CG-CD2 4.35Å; I76-L108 HydrophobicContact CB-CD2 4.08Å; I76-L108 HydrophobicContact CB-CG 4.43Å; I76-L108 HydrophobicContact CG2-CB 4.47Å; I76-L108 HydrophobicContact CG2-CD2 4.07Å; I76-L108 HydrophobicContact CG2-CG 3.87Å; L77-L108 HydrophobicContact CD2-CD1 3.97Å; L77-L108 HydrophobicContact CD2-CD2 4.45Å; L77-L108 HydrophobicContact CG-CD2 4.15Å; T104-L108 PolarHBondContact O-N 3.42Å; P105-L108 PolarHBondContact O-N 3.41Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-L108 PolarHBondContact O-N 3.48Å; L108-V110 VanDerWaalsContact C-N 3.32Å; L108-V110 PolarHBondContact O-N 2.92Å; L108-V111 PolarHBondContact O-N 3.33Å; L108-T112 HydrophobicContact CD1-CG2 4.14Å; L108-T112 HydrophobicContact CG-CG2 4.48Å; L108-T112 WeakPolarHBondContact O-CB 3.49Å; L108-T112 WeakPolarHBondContact O-CG2 3.32Å; L108-T112 PolarHBondContact O-N 3.12Å; L108-T112 PolarHBondContact O-OG1 3.13Å; L108-Q158 VanDerWaalsContact CD1-O 3.29Å; L108-Q158 WeakPolarHBondContact CD1-O 3.38Å; L108-F159 HydrophobicContact CB-CD2 4.47Å; L108-F159 HydrophobicContact CD1-CD2 4.02Å
109	A	93.9	Very high	92.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.1	-37.6	176.5	0	0	0	0	0	112.2	I76 P105 L106 T112 K113 N114 A117 V118 L121	I76-A109 HydrophobicContact CG2-CB 4.07Å; P105-A109 WeakPolarHBondContact O-CB 3.47Å; P105-A109 PolarHBondContact O-N 3.12Å; L106-A109 PolarHBondContact O-N 3.01Å; A109-T112 WeakPolarHBondContact CA-OG1 3.5Å; A109-T112 PolarHBondContact O-OG1 3.41Å; A109-K113 PolarHBondContact O-N 3.18Å; A109-N114 PolarHBondContact O-N 3.35Å; A109-A117 HydrophobicContact CB-CB 3.95Å; A109-V118 HydrophobicContact CB-CG2 3.62Å; A109-L121 HydrophobicContact CB-CD1 3.81Å
110	V	95.1	Very high	92.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-46.3	173.8	169.6	0	0	0	0	110.8	L106 M107 L108 T112 K113 V118 A174 A178 I181 L186 L190	L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.49Å; M107-V110 PolarHBondContact O-N 2.56Å; L108-V110 VanDerWaalsContact C-N 3.32Å; L108-V110 PolarHBondContact O-N 2.92Å; V110-T112 PolarHBondContact O-N 2.96Å; V110-K113 WeakPolarHBondContact O-CA 3.38Å; V110-K113 PolarHBondContact O-N 3.14Å; V110-V118 HydrophobicContact CG2-CG1 4.45Å; V110-V118 HydrophobicContact CG2-CG2 3.79Å; V110-A174 HydrophobicContact CG2-CB 4.38Å; V110-A178 HydrophobicContact CG1-CB 3.85Å; V110-I181 HydrophobicContact CG1-CD1 4.03Å; V110-I181 WeakPolarHBondContact O-CD1 3.28Å; V110-L186 HydrophobicContact CG1-CD1 4.17Å; V110-L186 WeakPolarHBondContact O-CD1 3.28Å; V110-L190 HydrophobicContact CG2-CD1 4.13Å; V110-L190 HydrophobicContact CG2-CD2 4.44Å
111	V	93	Very high	92.7	Very high	16 Å²	16	27 Å²	27	10%	0.097	12%	0.123	C	C	.	.	H	α-helix	trans	-68.2	-34.8	-177.2	177.8	0	0	0	0	113.1	M107 L108 K113 F159 S160 L163 Y177 I181	M107-V111 VanDerWaalsContact O-CG2 3.27Å; M107-V111 WeakPolarHBondContact O-CG2 3.47Å; M107-V111 PolarHBondContact O-N 3.03Å; L108-V111 PolarHBondContact O-N 3.33Å; V111-K113 PolarHBondContact O-N 2.93Å; V111-F159 HydrophobicContact CB-CZ 4.43Å; V111-F159 HydrophobicContact CG2-CE1 3.97Å; V111-F159 HydrophobicContact CG2-CE2 4.2Å; V111-F159 HydrophobicContact CG2-CZ 3.63Å; V111-S160 VanDerWaalsContact CG1-OG 3.23Å; V111-S160 WeakPolarHBondContact CG1-OG 3.37Å; V111-L163 HydrophobicContact CG2-CD1 4.4Å; V111-Y177 HydrophobicContact CG2-CD1 4.04Å; V111-Y177 HydrophobicContact CG2-CG 4.07Å; V111-I181 HydrophobicContact CB-CD1 4.34Å; V111-I181 HydrophobicContact CG2-CD1 4.13Å
112	T	92.1	Very high	92.9	Very high	32 Å²	32	27.2 Å²	27.2	20%	0.196	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	1	172.1	54.8	0	0	0	0	113.6	L77 L108 A109 V110 N114	L77-T112 HydrophobicContact CD2-CG2 4.22Å; L108-T112 HydrophobicContact CD1-CG2 4.14Å; L108-T112 HydrophobicContact CG-CG2 4.48Å; L108-T112 WeakPolarHBondContact O-CB 3.49Å; L108-T112 WeakPolarHBondContact O-CG2 3.32Å; L108-T112 PolarHBondContact O-N 3.12Å; L108-T112 PolarHBondContact O-OG1 3.13Å; A109-T112 WeakPolarHBondContact CA-OG1 3.5Å; A109-T112 PolarHBondContact O-OG1 3.41Å; V110-T112 PolarHBondContact O-N 2.96Å; T112-N114 PolarHBondContact O-N 3Å
113	K	92.7	Very high	92.9	Very high	107 Å²	107	33 Å²	33	47%	0.465	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	30.5	-175.5	-59.5	179.4	173.7	-177.8	0	113.7	A109 V110 V111 Y115 I181 L186	A109-K113 PolarHBondContact O-N 3.18Å; V110-K113 WeakPolarHBondContact O-CA 3.38Å; V110-K113 PolarHBondContact O-N 3.14Å; V111-K113 PolarHBondContact O-N 2.93Å; K113-Y115 WeakPolarHBondContact O-CD2 3.44Å; K113-Y115 WeakPolarHBondContact O-CE2 3.45Å; K113-Y115 PolarHBondContact O-N 3.02Å; K113-Y115 VanDerWaalsContact O-N 3.14Å; K113-I181 HydrophobicContact CD-CG2 4.19Å; K113-I181 HydrophobicContact CG-CG2 4.09Å; K113-L186 HydrophobicContact CG-CD1 4.43Å
114	N	92.5	Very high	92.8	Very high	19 Å²	19	34.6 Å²	34.6	10%	0.102	16%	0.16	C	C	.	.			trans	-87.5	81.6	-179.6	-170.6	-14.7	0	0	0	110.3	A109 T112 E116 A117 V118	A109-N114 PolarHBondContact O-N 3.35Å; T112-N114 PolarHBondContact O-N 3Å; N114-E116 PolarHBondContact O-N 3.26Å; N114-E116 VanDerWaalsContact O-N 3.12Å; N114-A117 HydrophobicContact CB-CB 4Å; N114-A117 VanDerWaalsContact CG-CB 3.43Å; N114-A117 WeakPolarHBondContact ND2-CB 3.31Å; N114-A117 PolarHBondContact O-N 2.99Å; N114-A117 PolarHBondContact OD1-N 3.36Å; N114-A117 VanDerWaalsContact OD1-N 3.13Å; N114-V118 WeakPolarHBondContact O-CG2 3.5Å; N114-V118 PolarHBondContact O-N 3.32Å
115	Y	92.7	Very high	92.5	Very high	92 Å²	92	37.1 Å²	37.1	36%	0.361	19%	0.187	S	C	.	.	H	α-helix	trans	-52.2	-36.5	-177.9	-55.8	-82.1	0	0	0	113.7	K113 R119 D183 K185 L186	K113-Y115 WeakPolarHBondContact O-CD2 3.44Å; K113-Y115 WeakPolarHBondContact O-CE2 3.45Å; K113-Y115 PolarHBondContact O-N 3.02Å; K113-Y115 VanDerWaalsContact O-N 3.14Å; Y115-R119 WeakPolarHBondContact O-CB 3.5Å; Y115-R119 PolarHBondContact O-N 3.31Å; Y115-D183 WeakPolarHBondContact CE1-OD2 3.47Å; Y115-D183 VanDerWaalsContact CZ-OD2 3.28Å; Y115-D183 PolarHBondContact OH-OD1 3.16Å; Y115-D183 PolarHBondContact OH-OD2 2.85Å; Y115-K185 HydrophobicContact CD1-CB 4.25Å; Y115-K185 HydrophobicContact CE1-CB 3.62Å; Y115-K185 HydrophobicContact CE1-CD 4.38Å; Y115-L186 HydrophobicContact CD1-CD2 3.45Å; Y115-L186 VanDerWaalsContact CD1-CD2 3.45Å; Y115-L186 HydrophobicContact CD1-CG 3.86Å; Y115-L186 HydrophobicContact CE1-CD1 4.45Å; Y115-L186 HydrophobicContact CE1-CD2 3.75Å; Y115-L186 HydrophobicContact CE1-CG 3.59Å; Y115-L186 HydrophobicContact CG-CD2 4.29Å
116	E	91.5	Very high	92.5	Very high	85 Å²	85	37.5 Å²	37.5	40%	0.397	19%	0.19	S	C	.	.	H	α-helix	trans	-74.5	-43.8	-177.3	-63.3	-174.3	-153.9	0	0	111.6	R81 N114 V118 R119 E120	R81-E116 WeakPolarHBondContact CD-OE2 3.4Å; R81-E116 IonicContact CZ-OE1 2.79Å; R81-E116 IonicContact CZ-OE2 3.07Å; R81-E116 IonicContact NE-OE1 2.68Å; R81-E116 IonicContact NE-OE2 3.5Å; R81-E116 PolarHBondContact NE-OE2 2.92Å; R81-E116 IonicContact NH1-OE1 3.09Å; R81-E116 PolarHBondContact NH1-OE1 2.92Å; R81-E116 IonicContact NH1-OE2 2.78Å; R81-E116 PolarHBondContact NH1-OE2 3.44Å; R81-E116 VanDerWaalsContact NH2-CD 3.32Å; R81-E116 IonicContact NH2-OE1 3.33Å; R81-E116 PolarHBondContact NH2-OE1 3.28Å; R81-E116 IonicContact NH2-OE2 3.73Å; R81-E116 PolarHBondContact NH2-OE2 3.29Å; N114-E116 PolarHBondContact O-N 3.26Å; N114-E116 VanDerWaalsContact O-N 3.12Å; E116-V118 VanDerWaalsContact C-N 3.29Å; E116-V118 PolarHBondContact O-N 2.93Å; E116-R119 PolarHBondContact O-N 2.79Å; E116-E120 WeakPolarHBondContact O-CG 3.09Å; E116-E120 PolarHBondContact O-N 3.46Å
117	A	91.6	Very high	92.4	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-40.6	172.7	0	0	0	0	0	111.3	L84 A109 N114 R119 E120 L121	L84-A117 HydrophobicContact CD1-CB 4.1Å; A109-A117 HydrophobicContact CB-CB 3.95Å; N114-A117 HydrophobicContact CB-CB 4Å; N114-A117 VanDerWaalsContact CG-CB 3.43Å; N114-A117 WeakPolarHBondContact ND2-CB 3.31Å; N114-A117 PolarHBondContact O-N 2.99Å; N114-A117 PolarHBondContact OD1-N 3.36Å; N114-A117 VanDerWaalsContact OD1-N 3.13Å; A117-R119 PolarHBondContact O-N 2.97Å; A117-E120 PolarHBondContact O-N 3.41Å; A117-L121 WeakPolarHBondContact O-CB 3.21Å; A117-L121 WeakPolarHBondContact O-CD1 3.32Å; A117-L121 WeakPolarHBondContact O-CG 3.21Å; A117-L121 PolarHBondContact O-N 3.01Å
118	V	93.4	Very high	92.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-47.8	174.6	173.9	0	0	0	0	110.7	L106 A109 V110 N114 E116 L121 L122 L186 L189 L190	L106-V118 HydrophobicContact CD1-CB 4.44Å; L106-V118 HydrophobicContact CD1-CG1 3.92Å; A109-V118 HydrophobicContact CB-CG2 3.62Å; V110-V118 HydrophobicContact CG2-CG1 4.45Å; V110-V118 HydrophobicContact CG2-CG2 3.79Å; N114-V118 WeakPolarHBondContact O-CG2 3.5Å; N114-V118 PolarHBondContact O-N 3.32Å; E116-V118 VanDerWaalsContact C-N 3.29Å; E116-V118 PolarHBondContact O-N 2.93Å; V118-L121 PolarHBondContact O-N 3.47Å; V118-L122 HydrophobicContact CG1-CD1 3.68Å; V118-L122 HydrophobicContact CG1-CG 4.41Å; V118-L122 WeakPolarHBondContact O-CB 3.29Å; V118-L122 VanDerWaalsContact O-CG 3.24Å; V118-L122 WeakPolarHBondContact O-CG 3.23Å; V118-L122 PolarHBondContact O-N 3.38Å; V118-L186 HydrophobicContact CG2-CD2 4.15Å; V118-L189 HydrophobicContact CB-CD2 4.01Å; V118-L189 HydrophobicContact CG1-CD2 3.54Å; V118-L189 HydrophobicContact CG1-CG 4.3Å; V118-L190 HydrophobicContact CG1-CD2 4.41Å
119	R	93.1	Very high	92.4	Very high	120 Å²	120	43.6 Å²	43.6	45%	0.453	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-42.5	179.5	-175.1	177.8	-78.4	-160.9	-8.2	112.4	Y115 E116 A117 K123 L189	Y115-R119 WeakPolarHBondContact O-CB 3.5Å; Y115-R119 PolarHBondContact O-N 3.31Å; E116-R119 PolarHBondContact O-N 2.79Å; A117-R119 PolarHBondContact O-N 2.97Å; R119-K123 HydrophobicContact CG-CD 4.3Å; R119-K123 WeakPolarHBondContact O-CB 3.42Å; R119-K123 VanDerWaalsContact O-CG 3.26Å; R119-K123 WeakPolarHBondContact O-CG 3.47Å; R119-K123 PolarHBondContact O-N 3.07Å; R119-L189 HydrophobicContact CB-CD2 4.41Å
120	E	90.8	Very high	92.4	Very high	77 Å²	77	45.6 Å²	45.6	36%	0.36	23%	0.233	S	C	.	.	H	α-helix	trans	-67	-41.4	177.9	-71	-59.4	127	0	0	112	L84 L88 E116 A117 K123 A124	L84-E120 HydrophobicContact CD2-CB 3.8Å; L84-E120 HydrophobicContact CD2-CG 4.39Å; L88-E120 HydrophobicContact CD1-CB 3.96Å; E116-E120 WeakPolarHBondContact O-CG 3.09Å; E116-E120 PolarHBondContact O-N 3.46Å; A117-E120 PolarHBondContact O-N 3.41Å; E120-K123 PolarHBondContact O-N 3.03Å; E120-A124 VanDerWaalsContact O-CB 3.32Å; E120-A124 WeakPolarHBondContact O-CB 3.22Å; E120-A124 PolarHBondContact O-N 2.96Å
121	L	92.1	Very high	92.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-44.9	176.6	-72.3	168.3	0	0	0	111.9	I72 I76 L88 V95 P105 L106 A109 A117 V118 A124 G125 S126	I72-L121 HydrophobicContact CD1-CD2 4.16Å; I76-L121 HydrophobicContact CD1-CD1 4.07Å; L88-L121 HydrophobicContact CD1-CD2 4.46Å; L88-L121 HydrophobicContact CD2-CD2 4.03Å; V95-L121 HydrophobicContact CG1-CD2 4.29Å; V95-L121 HydrophobicContact CG2-CD2 4.3Å; P105-L121 HydrophobicContact CB-CD1 4.17Å; P105-L121 HydrophobicContact CB-CD2 4.16Å; L106-L121 HydrophobicContact CD1-CB 4.19Å; A109-L121 HydrophobicContact CB-CD1 3.81Å; A117-L121 WeakPolarHBondContact O-CB 3.21Å; A117-L121 WeakPolarHBondContact O-CD1 3.32Å; A117-L121 WeakPolarHBondContact O-CG 3.21Å; A117-L121 PolarHBondContact O-N 3.01Å; V118-L121 PolarHBondContact O-N 3.47Å; L121-A124 PolarHBondContact O-N 3.18Å; L121-G125 PolarHBondContact O-N 3.27Å; L121-S126 WeakPolarHBondContact O-CB 3.37Å; L121-S126 PolarHBondContact O-N 2.89Å
122	L	92.6	Very high	92.5	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-42.4	178.1	-69.1	167.4	0	0	0	111.6	L106 V118 A124 G125 P128 L189 L190 F193	L106-L122 HydrophobicContact CD1-CD1 4.42Å; L106-L122 HydrophobicContact CD1-CD2 3.99Å; L106-L122 HydrophobicContact CD1-CG 3.86Å; L106-L122 HydrophobicContact CD2-CD2 3.76Å; V118-L122 HydrophobicContact CG1-CD1 3.68Å; V118-L122 HydrophobicContact CG1-CG 4.41Å; V118-L122 WeakPolarHBondContact O-CB 3.29Å; V118-L122 VanDerWaalsContact O-CG 3.24Å; V118-L122 WeakPolarHBondContact O-CG 3.23Å; V118-L122 PolarHBondContact O-N 3.38Å; L122-A124 VanDerWaalsContact C-N 3.27Å; L122-A124 PolarHBondContact O-N 3.37Å; L122-G125 PolarHBondContact O-N 2.97Å; L122-P128 HydrophobicContact CD2-CB 4.03Å; L122-P128 HydrophobicContact CD2-CG 4.44Å; L122-L189 HydrophobicContact CD1-CG 4.46Å; L122-L190 HydrophobicContact CD1-CD2 4.17Å; L122-F193 HydrophobicContact CB-CB 4.33Å; L122-F193 HydrophobicContact CB-CD1 3.56Å; L122-F193 HydrophobicContact CB-CD2 4.11Å; L122-F193 HydrophobicContact CB-CE1 3.74Å; L122-F193 HydrophobicContact CB-CE2 4.28Å; L122-F193 HydrophobicContact CB-CG 3.74Å; L122-F193 HydrophobicContact CB-CZ 4.09Å; L122-F193 HydrophobicContact CD1-CB 3.94Å; L122-F193 HydrophobicContact CD1-CD1 4.44Å; L122-F193 HydrophobicContact CD1-CD2 3.59Å; L122-F193 HydrophobicContact CD1-CE2 4.16Å; L122-F193 HydrophobicContact CD1-CG 3.74Å; L122-F193 HydrophobicContact CD2-CB 4.11Å; L122-F193 HydrophobicContact CD2-CG 4.43Å; L122-F193 HydrophobicContact CG-CB 4.36Å; L122-F193 HydrophobicContact CG-CD1 4.46Å; L122-F193 HydrophobicContact CG-CD2 4.43Å; L122-F193 HydrophobicContact CG-CG 4.18Å
123	K	91.1	Very high	92.5	Very high	129 Å²	129	49.6 Å²	49.6	56%	0.561	25%	0.254	S	S	*	.	H	α-helix	trans	-63.2	-32.8	173.5	-75.7	176.5	179	-179.9	0	113.1	R119 E120 G125 F193	R119-K123 HydrophobicContact CG-CD 4.3Å; R119-K123 WeakPolarHBondContact O-CB 3.42Å; R119-K123 VanDerWaalsContact O-CG 3.26Å; R119-K123 WeakPolarHBondContact O-CG 3.47Å; R119-K123 PolarHBondContact O-N 3.07Å; E120-K123 PolarHBondContact O-N 3.03Å; K123-G125 PolarHBondContact O-N 3.47Å; K123-F193 HydrophobicContact CG-CE1 4.12Å; K123-F193 HydrophobicContact CG-CZ 4.06Å
124	A	89.9	Confident	92.6	Very high	32 Å²	32	44.5 Å²	44.5	26%	0.264	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-3.9	175	0	0	0	0	0	113.3	L88 V95 E120 L121 L122	L88-A124 HydrophobicContact CD1-CB 4.29Å; L88-A124 HydrophobicContact CD2-CB 4.07Å; V95-A124 HydrophobicContact CG2-CB 3.83Å; E120-A124 VanDerWaalsContact O-CB 3.32Å; E120-A124 WeakPolarHBondContact O-CB 3.22Å; E120-A124 PolarHBondContact O-N 2.96Å; L121-A124 PolarHBondContact O-N 3.18Å; L122-A124 VanDerWaalsContact C-N 3.27Å; L122-A124 PolarHBondContact O-N 3.37Å
125	G	88.6	Confident	92.5	Very high	56 Å²	56	44.1 Å²	44.1	58%	0.577	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	97	20.5	178.1	0	0	0	0	0	114.1	L121 L122 K123 N127	L121-G125 PolarHBondContact O-N 3.27Å; L122-G125 PolarHBondContact O-N 2.97Å; K123-G125 PolarHBondContact O-N 3.47Å; G125-N127 PolarHBondContact O-N 3.35Å
126	S	91.4	Very high	92.5	Very high	8 Å²	8	39.9 Å²	39.9	6%	0.056	22%	0.216	C	C	.	.			trans	-59.3	129	169.8	-166.7	0	0	0	0	109.9	L106 L121 P128	L106-S126 WeakPolarHBondContact CB-OG 3.36Å; L121-S126 WeakPolarHBondContact O-CB 3.37Å; L121-S126 PolarHBondContact O-N 2.89Å; S126-P128 VanDerWaalsContact O-CD 3.28Å; S126-P128 WeakPolarHBondContact O-CD 3.48Å
127	N	93.1	Very high	92.5	Very high	69 Å²	69	36.6 Å²	36.6	37%	0.369	20%	0.201	S	C	.	.			trans	-76	117.1	172.9	-180	17.5	0	0	0	109.6	G125 N129 D130	G125-N127 PolarHBondContact O-N 3.35Å; N127-N129 PolarHBondContact O-N 3.33Å; N127-N129 WeakPolarHBondContact OD1-CB 3.26Å; N127-N129 PolarHBondContact OD1-N 3.23Å; N127-N129 VanDerWaalsContact OD1-N 3.08Å; N127-D130 PolarHBondContact ND2-OD1 3.38Å; N127-D130 PolarHBondContact O-N 2.76Å
128	P	93.4	Very high	92.5	Very high	10 Å²	10	42.1 Å²	42.1	7%	0.065	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.6	177.2	28	-34.8	0	0	0	113.3	L106 L122 S126 L190 A195	L106-P128 HydrophobicContact CD2-CB 4.39Å; L122-P128 HydrophobicContact CD2-CB 4.03Å; L122-P128 HydrophobicContact CD2-CG 4.44Å; S126-P128 VanDerWaalsContact O-CD 3.28Å; S126-P128 WeakPolarHBondContact O-CD 3.48Å; P128-L190 HydrophobicContact CB-CD2 4.4Å; P128-A195 HydrophobicContact CB-CB 3.86Å; P128-A195 HydrophobicContact CG-CB 4.3Å
129	N	95	Very high	92.5	Very high	49 Å²	49	48.2 Å²	48.2	26%	0.262	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	0.8	-176.8	-60.4	-39.6	0	0	0	113.6	N127 G194 A195 D196 I199	N127-N129 PolarHBondContact O-N 3.33Å; N127-N129 WeakPolarHBondContact OD1-CB 3.26Å; N127-N129 PolarHBondContact OD1-N 3.23Å; N127-N129 VanDerWaalsContact OD1-N 3.08Å; N129-G194 PolarHBondContact ND2-O 3.01Å; N129-A195 WeakPolarHBondContact OD1-CA 3.47Å; N129-D196 WeakPolarHBondContact OD1-CB 3.41Å; N129-D196 PolarHBondContact OD1-N 3.26Å; N129-I199 HydrophobicContact CB-CD1 3.78Å
130	D	94.7	Very high	92.4	Very high	42 Å²	42	43 Å²	43	23%	0.225	24%	0.239	C	C	.	.			trans	-63.7	138.1	171.5	-71.6	-18.2	0	0	0	110.1	T104 M107 N127	T104-D130 HydrophobicContact CG2-CB 4.07Å; M107-D130 WeakPolarHBondContact CE-O 3.37Å; N127-D130 PolarHBondContact ND2-OD1 3.38Å; N127-D130 PolarHBondContact O-N 2.76Å
131	V	94.7	Very high	92.5	Very high	43 Å²	43	39.6 Å²	39.6	26%	0.261	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-106	150.1	-176.5	-63.3	0	0	0	0	112.4	R98 G171 I199	R98-V131 PolarHBondContact NH1-O 2.93Å; R98-V131 PolarHBondContact NH2-O 2.98Å; V131-G171 WeakPolarHBondContact CG1-O 3.28Å; V131-I199 HydrophobicContact CG1-CG2 4.27Å
132	D	94.6	Very high	92.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.			trans	-71.9	146.3	173.4	-164.1	-11.8	0	0	0	110.1	W103 M107 Y134 R155 R170 G171 C172 Y177	W103-D132 PolarHBondContact N-OD1 3.02Å; M107-D132 HydrophobicContact CE-CB 4.28Å; M107-D132 VanDerWaalsContact CE-N 3.32Å; M107-D132 HydrophobicContact SD-CB 3.89Å; D132-Y134 WeakPolarHBondContact OD1-CB 3.44Å; D132-Y134 PolarHBondContact OD1-N 3.39Å; D132-R155 IonicContact OD2-CZ 2.8Å; D132-R155 IonicContact OD2-NH1 2.62Å; D132-R155 PolarHBondContact OD2-NH1 3.18Å; D132-R155 IonicContact OD2-NH2 3.44Å; D132-R155 PolarHBondContact OD2-NH2 2.85Å; D132-R170 CarbonylContact O-C 3.5Å; D132-R170 VanDerWaalsContact O-CA 3.28Å; D132-R170 WeakPolarHBondContact O-CA 3.35Å; D132-G171 PolarHBondContact O-N 2.99Å; D132-C172 PolarHBondContact N-O 2.97Å; D132-Y177 HydrophobicContact CB-CE2 4.2Å; D132-Y177 PolarHBondContact OD2-OH 3.06Å
133	N	93.5	Very high	92.5	Very high	89 Å²	89	50.8 Å²	50.8	48%	0.476	28%	0.279	S	S	.	.			trans	-106.4	2.1	177.8	-66.1	-18.9	0	0	0	112.5	A135 R170	N133-A135 PolarHBondContact O-N 3.12Å; N133-R170 WeakPolarHBondContact O-CG 3.32Å
134	Y	93.8	Very high	92.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.27	C	S	.	.			trans	-68.5	111.9	-177.2	-176	-101.3	0	0	0	113.1	L101 D132 G136 I137 T140 V151 R155 P165 F169 R170	L101-Y134 HydrophobicContact CB-CD2 4.25Å; L101-Y134 HydrophobicContact CD1-CE2 4.34Å; D132-Y134 WeakPolarHBondContact OD1-CB 3.44Å; D132-Y134 PolarHBondContact OD1-N 3.39Å; Y134-G136 VanDerWaalsContact C-N 3.35Å; Y134-G136 VanDerWaalsContact CE1-CA 3.46Å; Y134-G136 PolarHBondContact O-N 3.42Å; Y134-I137 PolarHBondContact OH-N 2.9Å; Y134-T140 HydrophobicContact CD2-CG2 4.08Å; Y134-T140 HydrophobicContact CE2-CG2 4.15Å; Y134-V151 HydrophobicContact CE2-CG1 3.84Å; Y134-R155 HydrophobicContact CE1-CG 4.39Å; Y134-R155 HydrophobicContact CE2-CG 4.46Å; Y134-P165 WeakPolarHBondContact CE1-O 3.41Å; Y134-P165 PolarHBondContact OH-O 3.09Å; Y134-F169 AromaticContact CD1-CD2 3.99Å; Y134-F169 HydrophobicContact CD1-CD2 3.99Å; Y134-F169 HydrophobicContact CE1-CD2 4.41Å; Y134-F169 CarbonylContact O-C 3.55Å; Y134-F169 PolarHBondContact O-N 2.91Å; Y134-R170 PolarHBondContact O-N 3.34Å
135	A	91.4	Very high	92.5	Very high	11 Å²	11	57.6 Å²	57.6	9%	0.091	30%	0.299	C	S	.	.			trans	-91.3	13.8	-172.5	0	0	0	0	0	114.7	N133 R139 T140 D168 R170	N133-A135 PolarHBondContact O-N 3.12Å; A135-R139 HydrophobicContact CB-CB 4.01Å; A135-R139 HydrophobicContact CB-CG 3.85Å; A135-T140 PolarHBondContact N-OG1 3.22Å; A135-T140 VanDerWaalsContact N-OG1 3.17Å; A135-D168 WeakPolarHBondContact CA-OD1 3.18Å; A135-R170 HydrophobicContact CB-CG 4.14Å
136	G	91.9	Very high	92.6	Very high	4 Å²	4	57 Å²	57	4%	0.041	28%	0.282	C	S	.	.			trans	85.8	167.4	-169.2	0	0	0	0	0	113.1	Y134 V138 T140 A167	Y134-G136 VanDerWaalsContact C-N 3.35Å; Y134-G136 VanDerWaalsContact CE1-CA 3.46Å; Y134-G136 PolarHBondContact O-N 3.42Å; G136-V138 PolarHBondContact O-N 3.24Å; G136-T140 WeakPolarHBondContact O-CB 3.24Å; G136-T140 PolarHBondContact O-N 3.5Å; G136-T140 PolarHBondContact O-OG1 3.46Å; G136-A167 WeakPolarHBondContact CA-O 3.3Å
137	I	91.9	Very high	92.6	Very high	15 Å²	15	62.7 Å²	62.7	8%	0.077	31%	0.309	C	S	.	.	H	α-helix	trans	-55.2	-58.2	-170.9	-60.8	167.3	0	0	0	112.6	Y134 R139 A141 S148 E152 P165 S166	Y134-I137 PolarHBondContact OH-N 2.9Å; I137-R139 PolarHBondContact O-N 2.92Å; I137-A141 WeakPolarHBondContact O-CB 3.13Å; I137-A141 PolarHBondContact O-N 3.49Å; I137-S148 VanDerWaalsContact CG2-O 3.22Å; I137-S148 WeakPolarHBondContact CG2-O 3.46Å; I137-E152 HydrophobicContact CD1-CB 3.96Å; I137-E152 HydrophobicContact CD1-CG 3.9Å; I137-E152 HydrophobicContact CG1-CB 4.26Å; I137-E152 HydrophobicContact CG2-CB 4.46Å; I137-P165 HydrophobicContact CD1-CB 4.04Å; I137-P165 HydrophobicContact CD1-CG 4.13Å; I137-P165 HydrophobicContact CG1-CB 4.13Å; I137-P165 WeakPolarHBondContact CG1-O 3.18Å; I137-S166 VanDerWaalsContact CD1-OG 3.26Å; I137-S166 WeakPolarHBondContact CD1-OG 3.36Å
138	V	92.2	Very high	92.5	Very high	121 Å²	121	62.5 Å²	62.5	73%	0.733	31%	0.313	S	S	*	.	H	α-helix	trans	-64.4	-46.4	-169	179.2	0	0	0	0	111.3	G136 H142	G136-V138 PolarHBondContact O-N 3.24Å; V138-H142 PolarHBondContact O-N 3.12Å; V138-H142 VanDerWaalsContact O-N 3.09Å
139	R	93	Very high	92.5	Very high	128 Å²	128	65.8 Å²	65.8	48%	0.483	34%	0.337	S	S	.	.	H	α-helix	trans	-71.3	-44.9	-177.4	-175.4	167.8	174.3	-177.1	4.7	111.7	A135 I137 A141 H142 D143 R170	A135-R139 HydrophobicContact CB-CB 4.01Å; A135-R139 HydrophobicContact CB-CG 3.85Å; I137-R139 PolarHBondContact O-N 2.92Å; R139-A141 VanDerWaalsContact C-N 3.32Å; R139-A141 PolarHBondContact O-N 3.46Å; R139-H142 WeakPolarHBondContact O-CB 3.33Å; R139-H142 PolarHBondContact O-N 3.41Å; R139-D143 WeakPolarHBondContact O-CB 3.45Å; R139-D143 PolarHBondContact O-N 3.18Å; R139-R170 VanDerWaalsContact NH1-CZ 3.31Å
140	T	91.4	Very high	92.3	Very high	9 Å²	9	67.9 Å²	67.9	6%	0.055	35%	0.345	C	S	.	.	H	α-helix	trans	-64.4	-38.4	178	-48.7	0	0	0	0	111.6	L101 Y134 A135 G136 D143 L144 V151	L101-T140 HydrophobicContact CD2-CG2 3.81Å; Y134-T140 HydrophobicContact CD2-CG2 4.08Å; Y134-T140 HydrophobicContact CE2-CG2 4.15Å; A135-T140 PolarHBondContact N-OG1 3.22Å; A135-T140 VanDerWaalsContact N-OG1 3.17Å; G136-T140 WeakPolarHBondContact O-CB 3.24Å; G136-T140 PolarHBondContact O-N 3.5Å; G136-T140 PolarHBondContact O-OG1 3.46Å; T140-D143 PolarHBondContact O-N 3.04Å; T140-L144 HydrophobicContact CG2-CD1 3.8Å; T140-L144 HydrophobicContact CG2-CG 4.34Å; T140-L144 WeakPolarHBondContact O-CB 3.47Å; T140-L144 WeakPolarHBondContact O-CG 3.42Å; T140-L144 PolarHBondContact O-N 3.46Å; T140-V151 HydrophobicContact CG2-CG1 4.23Å
141	A	92	Very high	92.1	Very high	7 Å²	7	65.9 Å²	65.9	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-61.7	-43.6	174.6	0	0	0	0	0	111.9	I137 R139 R145 M146 V151	I137-A141 WeakPolarHBondContact O-CB 3.13Å; I137-A141 PolarHBondContact O-N 3.49Å; R139-A141 VanDerWaalsContact C-N 3.32Å; R139-A141 PolarHBondContact O-N 3.46Å; A141-R145 CarbonylContact O-C 3.6Å; A141-R145 WeakPolarHBondContact O-CA 3.34Å; A141-R145 PolarHBondContact O-N 3.24Å; A141-M146 WeakPolarHBondContact CB-O 3.35Å; A141-M146 PolarHBondContact O-N 3.29Å; A141-V151 HydrophobicContact CB-CB 4.45Å; A141-V151 HydrophobicContact CB-CG2 3.82Å
142	H	93.5	Very high	92	Very high	149 Å²	149	67.6 Å²	67.6	69%	0.69	34%	0.339	S	S	*	.	H	α-helix	trans	-62.7	-48.7	174.1	177.9	-86.8	0	0	0	112	V138 R139 L144 R145	V138-H142 PolarHBondContact O-N 3.12Å; V138-H142 VanDerWaalsContact O-N 3.09Å; R139-H142 WeakPolarHBondContact O-CB 3.33Å; R139-H142 PolarHBondContact O-N 3.41Å; H142-L144 VanDerWaalsContact C-N 3.32Å; H142-L144 PolarHBondContact O-N 2.95Å; H142-R145 PolarHBondContact O-N 3.29Å
143	D	91.9	Very high	91.9	Very high	96 Å²	96	74.9 Å²	74.9	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-64.1	-36.3	-176.3	-66.2	-14.2	0	0	0	112.1	R139 T140	R139-D143 WeakPolarHBondContact O-CB 3.45Å; R139-D143 PolarHBondContact O-N 3.18Å; T140-D143 PolarHBondContact O-N 3.04Å
144	L	90.3	Very high	91.8	Very high	72 Å²	72	71.3 Å²	71.3	38%	0.377	35%	0.348	S	S	.	.	H	α-helix	trans	-94.1	1	178.2	-61.4	177.7	0	0	0	114.1	S100 L101 T140 H142 M146	S100-L144 WeakPolarHBondContact O-CD1 3.49Å; L101-L144 HydrophobicContact CD2-CD1 3.49Å; L101-L144 VanDerWaalsContact CD2-CD1 3.49Å; T140-L144 HydrophobicContact CG2-CD1 3.8Å; T140-L144 HydrophobicContact CG2-CG 4.34Å; T140-L144 WeakPolarHBondContact O-CB 3.47Å; T140-L144 WeakPolarHBondContact O-CG 3.42Å; T140-L144 PolarHBondContact O-N 3.46Å; H142-L144 VanDerWaalsContact C-N 3.32Å; H142-L144 PolarHBondContact O-N 2.95Å; L144-M146 HydrophobicContact CB-CG 3.85Å; L144-M146 HydrophobicContact CB-SD 3.92Å; L144-M146 HydrophobicContact CD1-SD 4.05Å; L144-M146 PolarHBondContact O-N 3.27Å
145	R	91.1	Very high	91.7	Very high	232 Å²	232	71.5 Å²	71.5	88%	0.875	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	36	-174.1	-54.4	179.8	-178.2	178.7	0.4	113.5	A141 H142	A141-R145 CarbonylContact O-C 3.6Å; A141-R145 WeakPolarHBondContact O-CA 3.34Å; A141-R145 PolarHBondContact O-N 3.24Å; H142-R145 PolarHBondContact O-N 3.29Å
146	M	90.1	Very high	91.7	Very high	44 Å²	44	73.7 Å²	73.7	22%	0.217	36%	0.358	C	S	.	.			trans	-102.2	163.7	178.5	-63	-179.7	72	0	0	110.7	A141 L144 E150 V151 I154	A141-M146 WeakPolarHBondContact CB-O 3.35Å; A141-M146 PolarHBondContact O-N 3.29Å; L144-M146 HydrophobicContact CB-CG 3.85Å; L144-M146 HydrophobicContact CB-SD 3.92Å; L144-M146 HydrophobicContact CD1-SD 4.05Å; L144-M146 PolarHBondContact O-N 3.27Å; M146-E150 HydrophobicContact CE-CG 3.74Å; M146-E150 WeakPolarHBondContact CE-OE1 3.49Å; M146-V151 HydrophobicContact CB-CG2 3.79Å; M146-V151 HydrophobicContact SD-CG2 4.29Å; M146-I154 HydrophobicContact CE-CD1 3.48Å; M146-I154 VanDerWaalsContact CE-CD1 3.48Å
147	M	91.2	Very high	91.6	Very high	126 Å²	126	76.7 Å²	76.7	62%	0.621	38%	0.376	S	S	*	.			trans	-72.3	142	170.6	-65.9	-62.3	121.6	0	0	110.3	S149 E150 V151	M147-S149 VanDerWaalsContact C-N 3.27Å; M147-S149 PolarHBondContact O-N 3.19Å; M147-E150 HydrophobicContact CB-CB 4.12Å; M147-E150 WeakPolarHBondContact O-CB 3.32Å; M147-E150 PolarHBondContact O-N 2.98Å; M147-V151 PolarHBondContact O-N 3.4Å
148	S	91.9	Very high	91.5	Very high	65 Å²	65	79 Å²	79	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-57.3	-40.7	177.8	50.6	0	0	0	0	112.5	I137 E150 V151 E152	I137-S148 VanDerWaalsContact CG2-O 3.22Å; I137-S148 WeakPolarHBondContact CG2-O 3.46Å; S148-E150 VanDerWaalsContact C-N 3.29Å; S148-E150 PolarHBondContact O-N 3.36Å; S148-V151 PolarHBondContact O-N 3.44Å; S148-E152 WeakPolarHBondContact O-CB 3.27Å; S148-E152 PolarHBondContact O-N 2.94Å
149	S	92.9	Very high	91.4	Very high	80 Å²	80	73.6 Å²	73.6	56%	0.559	35%	0.353	S	S	*	.	H	α-helix	trans	-63.3	-33.1	175.4	51.9	0	0	0	0	113.1	M147 W153	M147-S149 VanDerWaalsContact C-N 3.27Å; M147-S149 PolarHBondContact O-N 3.19Å; S149-W153 VanDerWaalsContact O-CB 3.32Å; S149-W153 WeakPolarHBondContact O-CB 3.25Å; S149-W153 PolarHBondContact O-N 2.91Å
150	E	91.2	Very high	91.2	Very high	92 Å²	92	68 Å²	68	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-71.9	-46.4	177.8	-172.2	-178.6	-177	0	0	110.8	M146 M147 S148 E152 W153 I154	M146-E150 HydrophobicContact CE-CG 3.74Å; M146-E150 WeakPolarHBondContact CE-OE1 3.49Å; M147-E150 HydrophobicContact CB-CB 4.12Å; M147-E150 WeakPolarHBondContact O-CB 3.32Å; M147-E150 PolarHBondContact O-N 2.98Å; S148-E150 VanDerWaalsContact C-N 3.29Å; S148-E150 PolarHBondContact O-N 3.36Å; E150-E152 VanDerWaalsContact C-N 3.31Å; E150-E152 PolarHBondContact O-N 3.3Å; E150-W153 PolarHBondContact O-N 3.5Å; E150-I154 HydrophobicContact CG-CD1 4.07Å; E150-I154 VanDerWaalsContact O-CG1 3.28Å; E150-I154 WeakPolarHBondContact O-CG1 3.16Å; E150-I154 PolarHBondContact O-N 2.83Å
151	V	90.5	Very high	91	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-42.8	175.6	175.3	0	0	0	0	111.6	L101 Y134 T140 A141 M146 M147 S148 I154 R155	L101-V151 HydrophobicContact CD1-CG1 4.24Å; L101-V151 HydrophobicContact CD2-CG1 4.04Å; L101-V151 HydrophobicContact CD2-CG2 4.41Å; Y134-V151 HydrophobicContact CE2-CG1 3.84Å; T140-V151 HydrophobicContact CG2-CG1 4.23Å; A141-V151 HydrophobicContact CB-CB 4.45Å; A141-V151 HydrophobicContact CB-CG2 3.82Å; M146-V151 HydrophobicContact CB-CG2 3.79Å; M146-V151 HydrophobicContact SD-CG2 4.29Å; M147-V151 PolarHBondContact O-N 3.4Å; S148-V151 PolarHBondContact O-N 3.44Å; V151-I154 PolarHBondContact O-N 3.05Å; V151-R155 WeakPolarHBondContact O-CB 3.45Å; V151-R155 PolarHBondContact O-N 3.15Å
152	E	92.5	Very high	90.9	Very high	79 Å²	79	80.1 Å²	80.1	37%	0.369	39%	0.391	S	S	.	.	H	α-helix	trans	-60.3	-47.9	174.8	-175.8	176.5	-170.7	0	0	111.3	I137 S148 E150 I154 R155 L156 P165	I137-E152 HydrophobicContact CD1-CB 3.96Å; I137-E152 HydrophobicContact CD1-CG 3.9Å; I137-E152 HydrophobicContact CG1-CB 4.26Å; I137-E152 HydrophobicContact CG2-CB 4.46Å; S148-E152 WeakPolarHBondContact O-CB 3.27Å; S148-E152 PolarHBondContact O-N 2.94Å; E150-E152 VanDerWaalsContact C-N 3.31Å; E150-E152 PolarHBondContact O-N 3.3Å; E152-I154 PolarHBondContact O-N 3.03Å; E152-R155 PolarHBondContact O-N 3.24Å; E152-L156 HydrophobicContact CG-CD1 3.9Å; E152-L156 HydrophobicContact CG-CG 4.48Å; E152-L156 WeakPolarHBondContact O-CB 3.14Å; E152-L156 VanDerWaalsContact O-CG 3.31Å; E152-L156 WeakPolarHBondContact O-CG 3.37Å; E152-L156 PolarHBondContact O-N 3.28Å; E152-P165 HydrophobicContact CG-CB 4.21Å; E152-P165 HydrophobicContact CG-CG 3.89Å
153	W	91.3	Very high	90.7	Very high	154 Å²	154	73.8 Å²	73.8	58%	0.583	36%	0.362	S	S	*	.	H	α-helix	trans	-60.6	-45.7	178.8	-176.6	84.9	0	0	0	112	S149 E150 L156 T157	S149-W153 VanDerWaalsContact O-CB 3.32Å; S149-W153 WeakPolarHBondContact O-CB 3.25Å; S149-W153 PolarHBondContact O-N 2.91Å; E150-W153 PolarHBondContact O-N 3.5Å; W153-L156 PolarHBondContact O-N 3.36Å; W153-T157 HydrophobicContact CD2-CG2 4.12Å; W153-T157 HydrophobicContact CG-CG2 4.36Å; W153-T157 HydrophobicContact CZ2-CG2 4.05Å; W153-T157 WeakPolarHBondContact O-CB 3.29Å; W153-T157 WeakPolarHBondContact O-CG2 3.42Å; W153-T157 PolarHBondContact O-N 2.94Å; W153-T157 PolarHBondContact O-OG1 2.95Å
154	I	91.3	Very high	90.6	Very high	14 Å²	14	73.9 Å²	73.9	7%	0.072	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-45.7	177.6	-67.3	170.6	0	0	0	110.4	L101 W103 M146 E150 V151 E152 L156 T157 Q158	L101-I154 HydrophobicContact CD1-CB 3.87Å; L101-I154 HydrophobicContact CD1-CG2 3.43Å; L101-I154 VanDerWaalsContact CD1-CG2 3.43Å; L101-I154 HydrophobicContact CG-CG2 4.04Å; W103-I154 HydrophobicContact CH2-CG2 4.2Å; M146-I154 HydrophobicContact CE-CD1 3.48Å; M146-I154 VanDerWaalsContact CE-CD1 3.48Å; E150-I154 HydrophobicContact CG-CD1 4.07Å; E150-I154 VanDerWaalsContact O-CG1 3.28Å; E150-I154 WeakPolarHBondContact O-CG1 3.16Å; E150-I154 PolarHBondContact O-N 2.83Å; V151-I154 PolarHBondContact O-N 3.05Å; E152-I154 PolarHBondContact O-N 3.03Å; I154-L156 VanDerWaalsContact C-N 3.34Å; I154-L156 PolarHBondContact O-N 3.21Å; I154-T157 PolarHBondContact O-N 3.39Å; I154-Q158 HydrophobicContact CG2-CB 4.42Å; I154-Q158 HydrophobicContact CG2-CG 4.38Å; I154-Q158 WeakPolarHBondContact O-CA 3.41Å; I154-Q158 VanDerWaalsContact O-CB 3.3Å; I154-Q158 WeakPolarHBondContact O-CB 3.21Å; I154-Q158 PolarHBondContact O-N 3.42Å
155	R	92.5	Very high	90.6	Very high	3 Å²	3	70.9 Å²	70.9	1%	0.011	35%	0.348	C	S	.	.	H	α-helix	trans	-63.2	-40.6	179.5	-171.4	65.8	172.1	-172.9	-9.7	111.8	L101 D132 Y134 V151 E152 F159 S160 P165 Y177	L101-R155 HydrophobicContact CD1-CB 4.35Å; D132-R155 IonicContact OD2-CZ 2.8Å; D132-R155 IonicContact OD2-NH1 2.62Å; D132-R155 PolarHBondContact OD2-NH1 3.18Å; D132-R155 IonicContact OD2-NH2 3.44Å; D132-R155 PolarHBondContact OD2-NH2 2.85Å; Y134-R155 HydrophobicContact CE1-CG 4.39Å; Y134-R155 HydrophobicContact CE2-CG 4.46Å; V151-R155 WeakPolarHBondContact O-CB 3.45Å; V151-R155 PolarHBondContact O-N 3.15Å; E152-R155 PolarHBondContact O-N 3.24Å; R155-F159 VanDerWaalsContact NH2-CE1 3.34Å; R155-F159 WeakPolarHBondContact O-CB 3.26Å; R155-F159 PolarHBondContact O-N 3.37Å; R155-S160 PolarHBondContact O-N 3.03Å; R155-P165 HydrophobicContact CB-CB 4.28Å; R155-P165 HydrophobicContact CG-CB 4.13Å; R155-Y177 PolarHBondContact NH2-OH 3.31Å
156	L	92	Very high	90.6	Very high	58 Å²	58	63.5 Å²	63.5	30%	0.304	33%	0.331	S	S	.	.	H	α-helix	trans	-71.2	-37.1	178.8	-71.1	173	0	0	0	113.1	E152 W153 I154 S160 D161 P165	E152-L156 HydrophobicContact CG-CD1 3.9Å; E152-L156 HydrophobicContact CG-CG 4.48Å; E152-L156 WeakPolarHBondContact O-CB 3.14Å; E152-L156 VanDerWaalsContact O-CG 3.31Å; E152-L156 WeakPolarHBondContact O-CG 3.37Å; E152-L156 PolarHBondContact O-N 3.28Å; W153-L156 PolarHBondContact O-N 3.36Å; I154-L156 VanDerWaalsContact C-N 3.34Å; I154-L156 PolarHBondContact O-N 3.21Å; L156-S160 WeakPolarHBondContact CA-O 3.5Å; L156-S160 CarbonylContact O-C 3.59Å; L156-D161 PolarHBondContact O-N 3.48Å; L156-P165 HydrophobicContact CD1-CG 4.43Å; L156-P165 HydrophobicContact CD2-CG 3.99Å; L156-P165 HydrophobicContact CG-CG 4.15Å
157	T	90	Very high	90.7	Very high	67 Å²	67	62.4 Å²	62.4	41%	0.411	33%	0.329	S	S	.	.	H	α-helix	trans	-91.5	-35	-173.9	55.7	0	0	0	0	114	W153 I154	W153-T157 HydrophobicContact CD2-CG2 4.12Å; W153-T157 HydrophobicContact CG-CG2 4.36Å; W153-T157 HydrophobicContact CZ2-CG2 4.05Å; W153-T157 WeakPolarHBondContact O-CB 3.29Å; W153-T157 WeakPolarHBondContact O-CG2 3.42Å; W153-T157 PolarHBondContact O-N 2.94Å; W153-T157 PolarHBondContact O-OG1 2.95Å; I154-T157 PolarHBondContact O-N 3.39Å
158	Q	89.9	Confident	90.7	Very high	63 Å²	63	58 Å²	58	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-105.8	-9.5	-172.9	-57.6	-178.8	7	0	0	113.7	H99 W103 L108 I154	H99-Q158 PolarHBondContact CE1-OE1 2.92Å; H99-Q158 PolarHBondContact NE2-OE1 2.67Å; W103-Q158 HydrophobicContact CZ2-CB 4.2Å; L108-Q158 VanDerWaalsContact CD1-O 3.29Å; L108-Q158 WeakPolarHBondContact CD1-O 3.38Å; I154-Q158 HydrophobicContact CG2-CB 4.42Å; I154-Q158 HydrophobicContact CG2-CG 4.38Å; I154-Q158 WeakPolarHBondContact O-CA 3.41Å; I154-Q158 VanDerWaalsContact O-CB 3.3Å; I154-Q158 WeakPolarHBondContact O-CB 3.21Å; I154-Q158 PolarHBondContact O-N 3.42Å
159	F	90	Very high	90.7	Very high	7 Å²	7	55.8 Å²	55.8	3%	0.031	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-65.7	176.8	-171.6	-108.6	0	0	0	112.7	W103 M107 L108 V111 R155 L163 Y177	W103-F159 HydrophobicContact CB-CD2 4.23Å; W103-F159 HydrophobicContact CB-CE2 3.85Å; W103-F159 AromaticContact CD1-CD2 3.76Å; W103-F159 AromaticContact CD1-CE2 3.99Å; W103-F159 HydrophobicContact CD2-CB 4.36Å; W103-F159 AromaticContact CD2-CD2 3.64Å; W103-F159 HydrophobicContact CD2-CD2 3.64Å; W103-F159 HydrophobicContact CD2-CE2 4.19Å; W103-F159 HydrophobicContact CD2-CG 4.19Å; W103-F159 AromaticContact CE2-CD2 3.75Å; W103-F159 HydrophobicContact CE3-CB 4.42Å; W103-F159 HydrophobicContact CE3-CD2 4.23Å; W103-F159 HydrophobicContact CE3-CG 4.36Å; W103-F159 AromaticContact CG-CD2 3.64Å; W103-F159 HydrophobicContact CG-CD2 3.64Å; W103-F159 AromaticContact CG-CE2 3.75Å; W103-F159 HydrophobicContact CG-CE2 3.75Å; W103-F159 HydrophobicContact CH2-CB 3.8Å; W103-F159 HydrophobicContact CZ2-CB 3.83Å; W103-F159 HydrophobicContact CZ2-CD2 4.37Å; W103-F159 HydrophobicContact CZ3-CB 4.08Å; W103-F159 HydrophobicContact CZ3-CG 4.47Å; W103-F159 AromaticContact NE1-CD2 3.85Å; M107-F159 HydrophobicContact CB-CE2 4.02Å; M107-F159 HydrophobicContact CB-CZ 4.31Å; L108-F159 HydrophobicContact CB-CD2 4.47Å; L108-F159 HydrophobicContact CD1-CD2 4.02Å; V111-F159 HydrophobicContact CB-CZ 4.43Å; V111-F159 HydrophobicContact CG2-CE1 3.97Å; V111-F159 HydrophobicContact CG2-CE2 4.2Å; V111-F159 HydrophobicContact CG2-CZ 3.63Å; R155-F159 VanDerWaalsContact NH2-CE1 3.34Å; R155-F159 WeakPolarHBondContact O-CB 3.26Å; R155-F159 PolarHBondContact O-N 3.37Å; F159-L163 HydrophobicContact CD1-CD1 4.37Å; F159-L163 HydrophobicContact CE1-CD1 3.76Å; F159-Y177 AromaticContact CE1-CE1 3.98Å; F159-Y177 HydrophobicContact CE1-CE1 3.98Å; F159-Y177 HydrophobicContact CZ-CD1 4.45Å; F159-Y177 HydrophobicContact CZ-CE1 4.03Å; F159-Y177 HydrophobicContact CZ-CE2 4.11Å; F159-Y177 AromaticContact CZ-CZ 3.83Å
160	S	87.8	Confident	90.7	Very high	11 Å²	11	54.7 Å²	54.7	8%	0.077	27%	0.274	C	S	.	.			trans	-165.4	133.6	-177	-161.4	0	0	0	0	112.6	V111 R155 L156 F162	V111-S160 VanDerWaalsContact CG1-OG 3.23Å; V111-S160 WeakPolarHBondContact CG1-OG 3.37Å; R155-S160 PolarHBondContact O-N 3.03Å; L156-S160 WeakPolarHBondContact CA-O 3.5Å; L156-S160 CarbonylContact O-C 3.59Å; S160-F162 PolarHBondContact OG-N 3.47Å
161	D	88	Confident	90.8	Very high	140 Å²	140	50.8 Å²	50.8	75%	0.749	26%	0.259	S	S	*	.	S	Bend	trans	-84.3	-15.6	167.3	64	-17.2	0	0	0	112.9	L156	L156-D161 PolarHBondContact O-N 3.48Å
162	F	88.5	Confident	91	Very high	131 Å²	131	50.9 Å²	50.9	58%	0.575	26%	0.259	S	S	*	.	S	Bend	trans	-78.2	-31.5	-178.7	178.4	-102.5	0	0	0	113.5	S160	S160-F162 PolarHBondContact OG-N 3.47Å
163	L	89.4	Confident	91.2	Very high	16 Å²	16	47.1 Å²	47.1	8%	0.084	24%	0.242	C	C	.	.	S	Bend	trans	-91.7	139.7	-176.7	-63.2	172.6	0	0	0	110.7	V111 F159 P165 F169 Y177	V111-L163 HydrophobicContact CG2-CD1 4.4Å; F159-L163 HydrophobicContact CD1-CD1 4.37Å; F159-L163 HydrophobicContact CE1-CD1 3.76Å; L163-P165 WeakPolarHBondContact O-CD 3.49Å; L163-P165 VanDerWaalsContact O-N 3.15Å; L163-F169 HydrophobicContact CB-CZ 4.13Å; L163-F169 HydrophobicContact CD2-CZ 4.45Å; L163-Y177 HydrophobicContact CD1-CD1 3.84Å; L163-Y177 HydrophobicContact CD1-CE1 3.69Å
164	N	91.4	Very high	91.4	Very high	97 Å²	97	39.8 Å²	39.8	52%	0.519	21%	0.214	S	C	.	.			trans	-65.4	113.5	176.9	178.2	4.6	0	0	0	110.4	S166 A167 F169	N164-S166 PolarHBondContact O-N 3.2Å; N164-S166 WeakPolarHBondContact OD1-CB 3.11Å; N164-S166 PolarHBondContact OD1-N 3.45Å; N164-A167 HydrophobicContact CB-CB 4.44Å; N164-A167 PolarHBondContact O-N 2.98Å; N164-A167 VanDerWaalsContact O-N 3.15Å; N164-F169 WeakPolarHBondContact O-CE2 3.46Å
165	P	90.1	Very high	91.6	Very high	10 Å²	10	39.1 Å²	39.1	7%	0.065	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.1	-178.6	26.6	-34.4	0	0	0	112.1	Y134 I137 E152 R155 L156 L163 A167	Y134-P165 WeakPolarHBondContact CE1-O 3.41Å; Y134-P165 PolarHBondContact OH-O 3.09Å; I137-P165 HydrophobicContact CD1-CB 4.04Å; I137-P165 HydrophobicContact CD1-CG 4.13Å; I137-P165 HydrophobicContact CG1-CB 4.13Å; I137-P165 WeakPolarHBondContact CG1-O 3.18Å; E152-P165 HydrophobicContact CG-CB 4.21Å; E152-P165 HydrophobicContact CG-CG 3.89Å; R155-P165 HydrophobicContact CB-CB 4.28Å; R155-P165 HydrophobicContact CG-CB 4.13Å; L156-P165 HydrophobicContact CD1-CG 4.43Å; L156-P165 HydrophobicContact CD2-CG 3.99Å; L156-P165 HydrophobicContact CG-CG 4.15Å; L163-P165 WeakPolarHBondContact O-CD 3.49Å; L163-P165 VanDerWaalsContact O-N 3.15Å; P165-A167 PolarHBondContact O-N 3.26Å
166	S	90.9	Very high	91.8	Very high	76 Å²	76	39 Å²	39	53%	0.531	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-13.5	179.8	-59.4	0	0	0	0	113.9	I137 N164	I137-S166 VanDerWaalsContact CD1-OG 3.26Å; I137-S166 WeakPolarHBondContact CD1-OG 3.36Å; N164-S166 PolarHBondContact O-N 3.2Å; N164-S166 WeakPolarHBondContact OD1-CB 3.11Å; N164-S166 PolarHBondContact OD1-N 3.45Å
167	A	90.8	Very high	91.9	Very high	21 Å²	21	36.2 Å²	36.2	17%	0.174	20%	0.196	C	C	.	.	S	Bend	trans	-79	149	-178	0	0	0	0	0	112.3	G136 N164 P165 F169	G136-A167 WeakPolarHBondContact CA-O 3.3Å; N164-A167 HydrophobicContact CB-CB 4.44Å; N164-A167 PolarHBondContact O-N 2.98Å; N164-A167 VanDerWaalsContact O-N 3.15Å; P165-A167 PolarHBondContact O-N 3.26Å; A167-F169 HydrophobicContact CB-CD2 4.29Å; A167-F169 HydrophobicContact CB-CE2 3.66Å; A167-F169 HydrophobicContact CB-CZ 3.96Å; A167-F169 VanDerWaalsContact O-CD2 3.29Å; A167-F169 WeakPolarHBondContact O-CD2 3.49Å
168	D	91.6	Very high	92.2	Very high	35 Å²	35	33 Å²	33	19%	0.187	18%	0.176	C	C	.	.			trans	-82.2	122.1	172.6	-172.3	0.8	0	0	0	109	A135 R170 R203	A135-D168 WeakPolarHBondContact CA-OD1 3.18Å; D168-R170 WeakPolarHBondContact OD1-CB 3.37Å; D168-R170 WeakPolarHBondContact OD1-CG 3.27Å; D168-R170 PolarHBondContact OD1-N 3.41Å; D168-R170 IonicContact OD1-NE 3.17Å; D168-R170 PolarHBondContact OD1-NE 3.28Å; D168-R170 VanDerWaalsContact OD1-NE 3.16Å; D168-R170 IonicContact OD2-CZ 2.95Å; D168-R170 IonicContact OD2-NE 2.81Å; D168-R170 PolarHBondContact OD2-NE 3.32Å; D168-R170 IonicContact OD2-NH2 3.87Å; D168-R170 PolarHBondContact OD2-NH2 2.93Å; D168-R203 VanDerWaalsContact N-NH2 3.2Å; D168-R203 PolarHBondContact O-NE 3.49Å
169	F	93	Very high	92.4	Very high	18 Å²	18	30 Å²	30	8%	0.079	16%	0.162	C	C	.	.			trans	-116.3	13.2	179.9	-69.4	-82.8	0	0	0	112.3	Y134 L163 N164 A167 G171 C172 Y177 L180	Y134-F169 AromaticContact CD1-CD2 3.99Å; Y134-F169 HydrophobicContact CD1-CD2 3.99Å; Y134-F169 HydrophobicContact CE1-CD2 4.41Å; Y134-F169 CarbonylContact O-C 3.55Å; Y134-F169 PolarHBondContact O-N 2.91Å; L163-F169 HydrophobicContact CB-CZ 4.13Å; L163-F169 HydrophobicContact CD2-CZ 4.45Å; N164-F169 WeakPolarHBondContact O-CE2 3.46Å; A167-F169 HydrophobicContact CB-CD2 4.29Å; A167-F169 HydrophobicContact CB-CE2 3.66Å; A167-F169 HydrophobicContact CB-CZ 3.96Å; A167-F169 VanDerWaalsContact O-CD2 3.29Å; A167-F169 WeakPolarHBondContact O-CD2 3.49Å; F169-G171 PolarHBondContact O-N 3.42Å; F169-C172 HydrophobicContact CB-CB 4.46Å; F169-C172 WeakPolarHBondContact O-CB 3.47Å; F169-C172 PolarHBondContact O-N 3.41Å; F169-C172 PolarHBondContact O-SG 3.5Å; F169-C172 VanDerWaalsContact O-SG 3.41Å; F169-Y177 WeakPolarHBondContact CB-OH 3.4Å; F169-Y177 AromaticContact CD1-CE1 3.94Å; F169-Y177 HydrophobicContact CD1-CE1 3.94Å; F169-Y177 HydrophobicContact CE1-CE1 4.27Å; F169-L180 HydrophobicContact CE1-CD1 4.23Å
170	R	92.6	Very high	92.6	Very high	56 Å²	56	31.2 Å²	31.2	21%	0.211	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	134.7	176.5	-72.9	179.7	-63.5	137	12.2	111.7	D132 N133 Y134 A135 R139 D168 C172 N201 E202	D132-R170 CarbonylContact O-C 3.5Å; D132-R170 VanDerWaalsContact O-CA 3.28Å; D132-R170 WeakPolarHBondContact O-CA 3.35Å; N133-R170 WeakPolarHBondContact O-CG 3.32Å; Y134-R170 PolarHBondContact O-N 3.34Å; A135-R170 HydrophobicContact CB-CG 4.14Å; R139-R170 VanDerWaalsContact NH1-CZ 3.31Å; D168-R170 WeakPolarHBondContact OD1-CB 3.37Å; D168-R170 WeakPolarHBondContact OD1-CG 3.27Å; D168-R170 PolarHBondContact OD1-N 3.41Å; D168-R170 IonicContact OD1-NE 3.17Å; D168-R170 PolarHBondContact OD1-NE 3.28Å; D168-R170 VanDerWaalsContact OD1-NE 3.16Å; D168-R170 IonicContact OD2-CZ 2.95Å; D168-R170 IonicContact OD2-NE 2.81Å; D168-R170 PolarHBondContact OD2-NE 3.32Å; D168-R170 IonicContact OD2-NH2 3.87Å; D168-R170 PolarHBondContact OD2-NH2 2.93Å; R170-C172 PolarHBondContact O-N 2.99Å; R170-N201 WeakPolarHBondContact O-CB 3.46Å; R170-E202 HydrophobicContact CB-CB 4.17Å; R170-E202 HydrophobicContact CB-CG 3.53Å; R170-E202 IonicContact NH1-OE2 2.76Å; R170-E202 PolarHBondContact O-N 2.99Å; R170-E202 VanDerWaalsContact O-N 3.1Å
171	G	93.5	Very high	92.8	Very high	10 Å²	10	31.5 Å²	31.5	10%	0.103	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-3.8	-177.5	0	0	0	0	0	114.1	V131 D132 F169 S173	V131-G171 WeakPolarHBondContact CG1-O 3.28Å; D132-G171 PolarHBondContact O-N 2.99Å; F169-G171 PolarHBondContact O-N 3.42Å; G171-S173 PolarHBondContact O-N 3.42Å
172	C	94.4	Very high	93.1	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	15%	0.146	C	C	.	.			trans	-74	117.3	176.2	-70.3	0	0	0	0	110.6	D132 F169 R170 H176 Y177	D132-C172 PolarHBondContact N-O 2.97Å; F169-C172 HydrophobicContact CB-CB 4.46Å; F169-C172 WeakPolarHBondContact O-CB 3.47Å; F169-C172 PolarHBondContact O-N 3.41Å; F169-C172 PolarHBondContact O-SG 3.5Å; F169-C172 VanDerWaalsContact O-SG 3.41Å; R170-C172 PolarHBondContact O-N 2.99Å; C172-H176 HydrophobicContact CB-CB 4.06Å; C172-Y177 HydrophobicContact CB-CE2 4.14Å
173	S	95.6	Very high	93.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-78.8	171.4	173	67	0	0	0	0	112.7	G171 L175 H176 Y177	G171-S173 PolarHBondContact O-N 3.42Å; S173-L175 PolarHBondContact O-N 3.41Å; S173-H176 PolarHBondContact N-ND1 3.03Å; S173-H176 VanDerWaalsContact N-ND1 3.16Å; S173-H176 WeakPolarHBondContact O-CB 3.35Å; S173-H176 PolarHBondContact O-N 3.46Å; S173-H176 VanDerWaalsContact O-N 3.08Å; S173-H176 PolarHBondContact OG-ND1 3.3Å; S173-Y177 WeakPolarHBondContact O-CD2 3.5Å; S173-Y177 PolarHBondContact O-N 3.43Å
174	A	95.3	Very high	93.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-54.6	-34.6	172.6	0	0	0	0	0	112.4	L106 V110 Y177 A178 L190	L106-A174 HydrophobicContact CD2-CB 3.92Å; L106-A174 HydrophobicContact CG-CB 4.13Å; V110-A174 HydrophobicContact CG2-CB 4.38Å; A174-Y177 PolarHBondContact O-N 3.41Å; A174-A178 PolarHBondContact O-N 3.35Å; A174-L190 HydrophobicContact CB-CD1 4.13Å; A174-L190 HydrophobicContact CB-CD2 3.97Å; A174-L190 WeakPolarHBondContact O-CD1 3.28Å
175	L	96	Very high	93.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-39	177.6	-170.6	64	0	0	0	112.3	S173 Y177 A178 V179 V187 L190 L191 A195 P197 P207 L220	S173-L175 PolarHBondContact O-N 3.41Å; L175-Y177 VanDerWaalsContact C-N 3.28Å; L175-Y177 PolarHBondContact O-N 3.31Å; L175-A178 PolarHBondContact O-N 3.38Å; L175-V179 VanDerWaalsContact O-CG2 3.26Å; L175-V179 WeakPolarHBondContact O-CG2 3.32Å; L175-V179 PolarHBondContact O-N 2.58Å; L175-V187 HydrophobicContact CD1-CG1 4.09Å; L175-L190 HydrophobicContact CB-CD1 4.49Å; L175-L190 HydrophobicContact CD1-CB 4.13Å; L175-L190 HydrophobicContact CD1-CD1 4.33Å; L175-L191 HydrophobicContact CD1-CD2 4.27Å; L175-L191 HydrophobicContact CD1-CG 4.24Å; L175-L191 HydrophobicContact CD2-CD2 3.95Å; L175-A195 HydrophobicContact CB-CB 4.38Å; L175-A195 HydrophobicContact CD2-CB 4.28Å; L175-P197 HydrophobicContact CD2-CB 3.97Å; L175-P207 HydrophobicContact CD2-CB 4.29Å; L175-P207 HydrophobicContact CD2-CG 4.08Å; L175-P207 HydrophobicContact CG-CB 4.18Å; L175-P207 HydrophobicContact CG-CG 4.26Å; L175-L220 HydrophobicContact CD1-CD2 4.29Å; L175-L220 HydrophobicContact CD2-CD2 4.04Å; L175-L220 HydrophobicContact CG-CD2 4.32Å
176	H	96.2	Very high	93.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.7	-43.9	173.4	-72.6	84.1	0	0	0	111.4	C172 S173 V179 L180 I199 H205 P207 Y210	C172-H176 HydrophobicContact CB-CB 4.06Å; S173-H176 PolarHBondContact N-ND1 3.03Å; S173-H176 VanDerWaalsContact N-ND1 3.16Å; S173-H176 WeakPolarHBondContact O-CB 3.35Å; S173-H176 PolarHBondContact O-N 3.46Å; S173-H176 VanDerWaalsContact O-N 3.08Å; S173-H176 PolarHBondContact OG-ND1 3.3Å; H176-V179 PolarHBondContact O-N 2.87Å; H176-L180 WeakPolarHBondContact O-CB 3.26Å; H176-L180 VanDerWaalsContact O-CG 3.32Å; H176-L180 WeakPolarHBondContact O-CG 3.46Å; H176-L180 PolarHBondContact O-N 3.24Å; H176-I199 PolarHBondContact CE1-O 3.19Å; H176-I199 VanDerWaalsContact CE1-O 3.27Å; H176-H205 PolarHBondContact NE2-O 3.02Å; H176-P207 WeakPolarHBondContact NE2-CD 3.27Å; H176-Y210 AromaticContact CD2-CD2 3.99Å; H176-Y210 AromaticContact CD2-CE2 3.89Å
177	Y	95	Very high	94.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65	-46.3	177.8	-72.8	-61.1	0	0	0	112.4	M107 V111 D132 R155 F159 L163 F169 C172 S173 A174 L175 V179 L180 I181	M107-Y177 HydrophobicContact CB-CD2 4.17Å; M107-Y177 HydrophobicContact CB-CE2 4.27Å; M107-Y177 HydrophobicContact CG-CD2 4.01Å; M107-Y177 HydrophobicContact CG-CE2 4.06Å; M107-Y177 HydrophobicContact SD-CE2 4.01Å; V111-Y177 HydrophobicContact CG2-CD1 4.04Å; V111-Y177 HydrophobicContact CG2-CG 4.07Å; D132-Y177 HydrophobicContact CB-CE2 4.2Å; D132-Y177 PolarHBondContact OD2-OH 3.06Å; R155-Y177 PolarHBondContact NH2-OH 3.31Å; F159-Y177 AromaticContact CE1-CE1 3.98Å; F159-Y177 HydrophobicContact CE1-CE1 3.98Å; F159-Y177 HydrophobicContact CZ-CD1 4.45Å; F159-Y177 HydrophobicContact CZ-CE1 4.03Å; F159-Y177 HydrophobicContact CZ-CE2 4.11Å; F159-Y177 AromaticContact CZ-CZ 3.83Å; L163-Y177 HydrophobicContact CD1-CD1 3.84Å; L163-Y177 HydrophobicContact CD1-CE1 3.69Å; F169-Y177 WeakPolarHBondContact CB-OH 3.4Å; F169-Y177 AromaticContact CD1-CE1 3.94Å; F169-Y177 HydrophobicContact CD1-CE1 3.94Å; F169-Y177 HydrophobicContact CE1-CE1 4.27Å; C172-Y177 HydrophobicContact CB-CE2 4.14Å; S173-Y177 WeakPolarHBondContact O-CD2 3.5Å; S173-Y177 PolarHBondContact O-N 3.43Å; A174-Y177 PolarHBondContact O-N 3.41Å; L175-Y177 VanDerWaalsContact C-N 3.28Å; L175-Y177 PolarHBondContact O-N 3.31Å; Y177-V179 PolarHBondContact O-N 3.33Å; Y177-L180 HydrophobicContact CD1-CD1 4.35Å; Y177-L180 PolarHBondContact O-N 3.08Å; Y177-I181 WeakPolarHBondContact O-CB 3.47Å; Y177-I181 VanDerWaalsContact O-CD1 3.25Å; Y177-I181 WeakPolarHBondContact O-CD1 2.99Å; Y177-I181 WeakPolarHBondContact O-CG1 3.39Å; Y177-I181 PolarHBondContact O-N 3.43Å
178	A	95.4	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-39.2	177.7	0	0	0	0	0	112.2	V110 A174 L175 N182 D183 L186 V187 L190	V110-A178 HydrophobicContact CG1-CB 3.85Å; A174-A178 PolarHBondContact O-N 3.35Å; L175-A178 PolarHBondContact O-N 3.38Å; A178-N182 PolarHBondContact O-N 2.96Å; A178-D183 PolarHBondContact O-N 2.99Å; A178-L186 HydrophobicContact CB-CB 3.89Å; A178-V187 HydrophobicContact CB-CG2 3.84Å; A178-L190 HydrophobicContact CB-CD1 3.65Å
179	V	95.5	Very high	94.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-71.8	-42.2	177.1	179.2	0	0	0	0	112.1	L175 H176 Y177 I181 N182 V187 P207 A211 I216 L220	L175-V179 VanDerWaalsContact O-CG2 3.26Å; L175-V179 WeakPolarHBondContact O-CG2 3.32Å; L175-V179 PolarHBondContact O-N 2.58Å; H176-V179 PolarHBondContact O-N 2.87Å; Y177-V179 PolarHBondContact O-N 3.33Å; V179-I181 VanDerWaalsContact C-N 3.27Å; V179-I181 PolarHBondContact O-N 3.41Å; V179-N182 WeakPolarHBondContact O-CA 3.4Å; V179-N182 PolarHBondContact O-N 3.04Å; V179-V187 HydrophobicContact CG2-CG2 3.75Å; V179-P207 WeakPolarHBondContact CG1-O 3.39Å; V179-P207 HydrophobicContact CG2-CB 4.24Å; V179-A211 VanDerWaalsContact CG1-CA 3.44Å; V179-A211 HydrophobicContact CG1-CB 3.77Å; V179-I216 HydrophobicContact CG1-CG2 4.15Å; V179-I216 HydrophobicContact CG2-CG2 4.11Å; V179-L220 HydrophobicContact CG1-CD1 4.36Å; V179-L220 HydrophobicContact CG2-CD1 3.7Å; V179-L220 HydrophobicContact CG2-CD2 4.47Å
180	L	93.2	Very high	94.6	Very high	31 Å²	31	24 Å²	24	16%	0.162	12%	0.12	C	C	.	.	H	α-helix	trans	-59.7	-38.8	176.2	-80	168.3	0	0	0	112.7	F169 H176 Y177 N182 Y210	F169-L180 HydrophobicContact CE1-CD1 4.23Å; H176-L180 WeakPolarHBondContact O-CB 3.26Å; H176-L180 VanDerWaalsContact O-CG 3.32Å; H176-L180 WeakPolarHBondContact O-CG 3.46Å; H176-L180 PolarHBondContact O-N 3.24Å; Y177-L180 HydrophobicContact CD1-CD1 4.35Å; Y177-L180 PolarHBondContact O-N 3.08Å; L180-N182 PolarHBondContact O-N 2.74Å; L180-Y210 HydrophobicContact CD2-CD1 3.53Å; L180-Y210 HydrophobicContact CD2-CE1 4.21Å; L180-Y210 HydrophobicContact CD2-CG 3.89Å; L180-Y210 HydrophobicContact CG-CD1 4.34Å; L180-Y210 HydrophobicContact CG-CG 4.25Å
181	I	92.8	Very high	94.7	Very high	18 Å²	18	23 Å²	23	9%	0.092	12%	0.119	C	C	.	.	H	α-helix	trans	-70.1	-18.8	175.3	-65.6	161.8	0	0	0	111.5	V110 V111 K113 Y177 V179 D183	V110-I181 HydrophobicContact CG1-CD1 4.03Å; V110-I181 WeakPolarHBondContact O-CD1 3.28Å; V111-I181 HydrophobicContact CB-CD1 4.34Å; V111-I181 HydrophobicContact CG2-CD1 4.13Å; K113-I181 HydrophobicContact CD-CG2 4.19Å; K113-I181 HydrophobicContact CG-CG2 4.09Å; Y177-I181 WeakPolarHBondContact O-CB 3.47Å; Y177-I181 VanDerWaalsContact O-CD1 3.25Å; Y177-I181 WeakPolarHBondContact O-CD1 2.99Å; Y177-I181 WeakPolarHBondContact O-CG1 3.39Å; Y177-I181 PolarHBondContact O-N 3.43Å; V179-I181 VanDerWaalsContact C-N 3.27Å; V179-I181 PolarHBondContact O-N 3.41Å; I181-D183 HydrophobicContact CG2-CB 4.16Å
182	N	93.5	Very high	94.7	Very high	48 Å²	48	28.7 Å²	28.7	26%	0.257	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	46.9	-178.6	-161.5	61.9	0	0	0	112.1	A178 V179 L180 D213 I216	A178-N182 PolarHBondContact O-N 2.96Å; V179-N182 WeakPolarHBondContact O-CA 3.4Å; V179-N182 PolarHBondContact O-N 3.04Å; L180-N182 PolarHBondContact O-N 2.74Å; N182-D213 PolarHBondContact ND2-OD1 2.76Å; N182-D213 PolarHBondContact ND2-OD2 2.63Å; N182-D213 VanDerWaalsContact OD1-CG 3.28Å; N182-D213 PolarHBondContact OD1-N 3.31Å; N182-D213 PolarHBondContact OD1-OD2 2.78Å; N182-I216 WeakPolarHBondContact OD1-CD1 3.3Å
183	D	93.4	Very high	94.6	Very high	14 Å²	14	32 Å²	32	8%	0.075	16%	0.157	C	C	.	.			trans	-112.1	103.8	179.4	-169.9	-32.3	0	0	0	111.3	Y115 A178 I181 K185 L186 V187	Y115-D183 WeakPolarHBondContact CE1-OD2 3.47Å; Y115-D183 VanDerWaalsContact CZ-OD2 3.28Å; Y115-D183 PolarHBondContact OH-OD1 3.16Å; Y115-D183 PolarHBondContact OH-OD2 2.85Å; A178-D183 PolarHBondContact O-N 2.99Å; I181-D183 HydrophobicContact CG2-CB 4.16Å; D183-K185 VanDerWaalsContact C-N 3.29Å; D183-K185 PolarHBondContact O-N 2.95Å; D183-K185 WeakPolarHBondContact OD1-CB 3.19Å; D183-K185 PolarHBondContact OD1-N 2.93Å; D183-L186 HydrophobicContact CB-CB 4.16Å; D183-L186 HydrophobicContact CB-CD1 3.94Å; D183-L186 HydrophobicContact CB-CG 4.18Å; D183-L186 PolarHBondContact O-N 3.23Å; D183-L186 PolarHBondContact OD1-N 2.99Å; D183-V187 WeakPolarHBondContact O-CG2 3.4Å; D183-V187 PolarHBondContact O-N 2.77Å; D183-V187 VanDerWaalsContact O-N 3.12Å
184	S	93.6	Very high	94.4	Very high	57 Å²	57	34 Å²	34	40%	0.399	18%	0.178	S	C	.	.	H	α-helix	trans	-63	-32.4	-179	59.3	0	0	0	0	113.5	V187 H188	S184-V187 PolarHBondContact O-N 3.38Å; S184-H188 WeakPolarHBondContact O-CB 3.36Å; S184-H188 PolarHBondContact O-N 3.21Å
185	K	94.7	Very high	94.3	Very high	145 Å²	145	34.3 Å²	34.3	63%	0.63	18%	0.18	S	C	*	.	H	α-helix	trans	-71.4	-39.9	-179.5	-69.4	179.1	-178.9	177.9	0	111.2	Y115 D183 L189	Y115-K185 HydrophobicContact CD1-CB 4.25Å; Y115-K185 HydrophobicContact CE1-CB 3.62Å; Y115-K185 HydrophobicContact CE1-CD 4.38Å; D183-K185 VanDerWaalsContact C-N 3.29Å; D183-K185 PolarHBondContact O-N 2.95Å; D183-K185 WeakPolarHBondContact OD1-CB 3.19Å; D183-K185 PolarHBondContact OD1-N 2.93Å; K185-L189 WeakPolarHBondContact O-CB 3.37Å; K185-L189 PolarHBondContact O-N 3.02Å
186	L	95.3	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.3	-41	174.9	-71.5	174.3	0	0	0	111.7	V110 K113 Y115 V118 A178 D183 L189 L190	V110-L186 HydrophobicContact CG1-CD1 4.17Å; V110-L186 WeakPolarHBondContact O-CD1 3.28Å; K113-L186 HydrophobicContact CG-CD1 4.43Å; Y115-L186 HydrophobicContact CD1-CD2 3.45Å; Y115-L186 VanDerWaalsContact CD1-CD2 3.45Å; Y115-L186 HydrophobicContact CD1-CG 3.86Å; Y115-L186 HydrophobicContact CE1-CD1 4.45Å; Y115-L186 HydrophobicContact CE1-CD2 3.75Å; Y115-L186 HydrophobicContact CE1-CG 3.59Å; Y115-L186 HydrophobicContact CG-CD2 4.29Å; V118-L186 HydrophobicContact CG2-CD2 4.15Å; A178-L186 HydrophobicContact CB-CB 3.89Å; D183-L186 HydrophobicContact CB-CB 4.16Å; D183-L186 HydrophobicContact CB-CD1 3.94Å; D183-L186 HydrophobicContact CB-CG 4.18Å; D183-L186 PolarHBondContact O-N 3.23Å; D183-L186 PolarHBondContact OD1-N 2.99Å; L186-L189 PolarHBondContact O-N 3.16Å; L186-L190 WeakPolarHBondContact O-CB 3.46Å; L186-L190 WeakPolarHBondContact O-CG 3.48Å; L186-L190 PolarHBondContact O-N 3.41Å
187	V	95.5	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-50.4	175.5	171.2	0	0	0	0	110.1	L175 A178 V179 D183 S184 L189 L190 L191 I216 L220	L175-V187 HydrophobicContact CD1-CG1 4.09Å; A178-V187 HydrophobicContact CB-CG2 3.84Å; V179-V187 HydrophobicContact CG2-CG2 3.75Å; D183-V187 WeakPolarHBondContact O-CG2 3.4Å; D183-V187 PolarHBondContact O-N 2.77Å; D183-V187 VanDerWaalsContact O-N 3.12Å; S184-V187 PolarHBondContact O-N 3.38Å; V187-L189 VanDerWaalsContact C-N 3.34Å; V187-L189 PolarHBondContact O-N 2.87Å; V187-L190 PolarHBondContact O-N 3.02Å; V187-L191 HydrophobicContact CG1-CD1 3.81Å; V187-L191 HydrophobicContact CG1-CG 4.4Å; V187-L191 WeakPolarHBondContact O-CB 3.44Å; V187-L191 VanDerWaalsContact O-CG 3.27Å; V187-L191 WeakPolarHBondContact O-CG 3.36Å; V187-L191 PolarHBondContact O-N 3.4Å; V187-I216 HydrophobicContact CG1-CG2 4.47Å; V187-I216 HydrophobicContact CG2-CG2 4.22Å; V187-L220 HydrophobicContact CG1-CD2 4.15Å; V187-L220 HydrophobicContact CG1-CG 4.5Å
188	H	94.8	Very high	94	Very high	109 Å²	109	38.5 Å²	38.5	51%	0.505	21%	0.205	S	C	.	.	H	α-helix	trans	-60.2	-43.3	177.6	-169	-51	0	0	0	112	S184 L190 L191 E192	S184-H188 WeakPolarHBondContact O-CB 3.36Å; S184-H188 PolarHBondContact O-N 3.21Å; H188-L190 PolarHBondContact O-N 3.22Å; H188-L191 PolarHBondContact O-N 3.17Å; H188-E192 WeakPolarHBondContact O-CB 3.4Å; H188-E192 PolarHBondContact O-N 3.43Å
189	L	94.9	Very high	93.8	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-44	178.6	-174.8	67	0	0	0	111.3	V118 R119 L122 K185 L186 V187 E192 F193	V118-L189 HydrophobicContact CB-CD2 4.01Å; V118-L189 HydrophobicContact CG1-CD2 3.54Å; V118-L189 HydrophobicContact CG1-CG 4.3Å; R119-L189 HydrophobicContact CB-CD2 4.41Å; L122-L189 HydrophobicContact CD1-CG 4.46Å; K185-L189 WeakPolarHBondContact O-CB 3.37Å; K185-L189 PolarHBondContact O-N 3.02Å; L186-L189 PolarHBondContact O-N 3.16Å; V187-L189 VanDerWaalsContact C-N 3.34Å; V187-L189 PolarHBondContact O-N 2.87Å; L189-E192 PolarHBondContact O-N 3.21Å; L189-F193 HydrophobicContact CD1-CD2 4.22Å; L189-F193 HydrophobicContact CD1-CE2 3.83Å; L189-F193 VanDerWaalsContact O-CD2 3.3Å; L189-F193 WeakPolarHBondContact O-CD2 3.27Å; L189-F193 PolarHBondContact O-N 3.49Å
190	L	95.8	Very high	93.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-42	178.9	-72.2	168.5	0	0	0	112.1	L106 V110 V118 L122 P128 A174 L175 A178 L186 V187 H188 E192 F193 G194 A195	L106-L190 HydrophobicContact CD2-CD2 4.34Å; V110-L190 HydrophobicContact CG2-CD1 4.13Å; V110-L190 HydrophobicContact CG2-CD2 4.44Å; V118-L190 HydrophobicContact CG1-CD2 4.41Å; L122-L190 HydrophobicContact CD1-CD2 4.17Å; P128-L190 HydrophobicContact CB-CD2 4.4Å; A174-L190 HydrophobicContact CB-CD1 4.13Å; A174-L190 HydrophobicContact CB-CD2 3.97Å; A174-L190 WeakPolarHBondContact O-CD1 3.28Å; L175-L190 HydrophobicContact CB-CD1 4.49Å; L175-L190 HydrophobicContact CD1-CB 4.13Å; L175-L190 HydrophobicContact CD1-CD1 4.33Å; A178-L190 HydrophobicContact CB-CD1 3.65Å; L186-L190 WeakPolarHBondContact O-CB 3.46Å; L186-L190 WeakPolarHBondContact O-CG 3.48Å; L186-L190 PolarHBondContact O-N 3.41Å; V187-L190 PolarHBondContact O-N 3.02Å; H188-L190 PolarHBondContact O-N 3.22Å; L190-E192 VanDerWaalsContact C-N 3.33Å; L190-E192 PolarHBondContact O-N 3.3Å; L190-F193 CarbonylContact O-C 3.51Å; L190-F193 PolarHBondContact O-N 3.49Å; L190-G194 PolarHBondContact O-N 3.39Å; L190-A195 HydrophobicContact CB-CB 3.89Å; L190-A195 WeakPolarHBondContact O-CB 3.43Å; L190-A195 PolarHBondContact O-N 2.89Å
191	L	94.4	Very high	93.8	Very high	37 Å²	37	42.8 Å²	42.8	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-38.8	176.9	-69	173.7	0	0	0	111.9	L175 V187 H188 F193 G194 L220 A223	L175-L191 HydrophobicContact CD1-CD2 4.27Å; L175-L191 HydrophobicContact CD1-CG 4.24Å; L175-L191 HydrophobicContact CD2-CD2 3.95Å; V187-L191 HydrophobicContact CG1-CD1 3.81Å; V187-L191 HydrophobicContact CG1-CG 4.4Å; V187-L191 WeakPolarHBondContact O-CB 3.44Å; V187-L191 VanDerWaalsContact O-CG 3.27Å; V187-L191 WeakPolarHBondContact O-CG 3.36Å; V187-L191 PolarHBondContact O-N 3.4Å; H188-L191 PolarHBondContact O-N 3.17Å; L191-F193 PolarHBondContact O-N 2.95Å; L191-G194 PolarHBondContact O-N 3.44Å; L191-L220 HydrophobicContact CD1-CD2 4.42Å; L191-A223 HydrophobicContact CD1-CB 3.89Å; L191-A223 HydrophobicContact CD2-CB 3.73Å; L191-A223 HydrophobicContact CG-CB 4.39Å
192	E	92.7	Very high	93.7	Very high	128 Å²	128	48 Å²	48	60%	0.598	26%	0.255	S	S	*	.	H	α-helix	trans	-58.9	-34.6	175.2	-172.7	-176.3	174.4	0	0	112.1	H188 L189 L190 G194	H188-E192 WeakPolarHBondContact O-CB 3.4Å; H188-E192 PolarHBondContact O-N 3.43Å; L189-E192 PolarHBondContact O-N 3.21Å; L190-E192 VanDerWaalsContact C-N 3.33Å; L190-E192 PolarHBondContact O-N 3.3Å; E192-G194 VanDerWaalsContact C-N 3.31Å; E192-G194 PolarHBondContact O-N 3.41Å
193	F	93.7	Very high	93.4	Very high	71 Å²	71	52 Å²	52	31%	0.311	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	13.7	176.6	-78.2	-91.3	0	0	0	113.9	L122 K123 L189 L190 L191	L122-F193 HydrophobicContact CB-CB 4.33Å; L122-F193 HydrophobicContact CB-CD1 3.56Å; L122-F193 HydrophobicContact CB-CD2 4.11Å; L122-F193 HydrophobicContact CB-CE1 3.74Å; L122-F193 HydrophobicContact CB-CE2 4.28Å; L122-F193 HydrophobicContact CB-CG 3.74Å; L122-F193 HydrophobicContact CB-CZ 4.09Å; L122-F193 HydrophobicContact CD1-CB 3.94Å; L122-F193 HydrophobicContact CD1-CD1 4.44Å; L122-F193 HydrophobicContact CD1-CD2 3.59Å; L122-F193 HydrophobicContact CD1-CE2 4.16Å; L122-F193 HydrophobicContact CD1-CG 3.74Å; L122-F193 HydrophobicContact CD2-CB 4.11Å; L122-F193 HydrophobicContact CD2-CG 4.43Å; L122-F193 HydrophobicContact CG-CB 4.36Å; L122-F193 HydrophobicContact CG-CD1 4.46Å; L122-F193 HydrophobicContact CG-CD2 4.43Å; L122-F193 HydrophobicContact CG-CG 4.18Å; K123-F193 HydrophobicContact CG-CE1 4.12Å; K123-F193 HydrophobicContact CG-CZ 4.06Å; L189-F193 HydrophobicContact CD1-CD2 4.22Å; L189-F193 HydrophobicContact CD1-CE2 3.83Å; L189-F193 VanDerWaalsContact O-CD2 3.3Å; L189-F193 WeakPolarHBondContact O-CD2 3.27Å; L189-F193 PolarHBondContact O-N 3.49Å; L190-F193 CarbonylContact O-C 3.51Å; L190-F193 PolarHBondContact O-N 3.49Å; L191-F193 PolarHBondContact O-N 2.95Å
194	G	90.9	Very high	93.3	Very high	43 Å²	43	53.5 Å²	53.5	44%	0.443	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	27.7	174.1	0	0	0	0	0	114.9	N129 L190 L191 E192 D196	N129-G194 PolarHBondContact ND2-O 3.01Å; L190-G194 PolarHBondContact O-N 3.39Å; L191-G194 PolarHBondContact O-N 3.44Å; E192-G194 VanDerWaalsContact C-N 3.31Å; E192-G194 PolarHBondContact O-N 3.41Å; G194-D196 PolarHBondContact O-N 3.46Å
195	A	93.9	Very high	93.2	Very high	7 Å²	7	54.2 Å²	54.2	6%	0.058	28%	0.281	C	S	.	.			trans	-61.2	129.3	166.9	0	0	0	0	0	110.4	P128 N129 L175 L190 P197	P128-A195 HydrophobicContact CB-CB 3.86Å; P128-A195 HydrophobicContact CG-CB 4.3Å; N129-A195 WeakPolarHBondContact OD1-CA 3.47Å; L175-A195 HydrophobicContact CB-CB 4.38Å; L175-A195 HydrophobicContact CD2-CB 4.28Å; L190-A195 HydrophobicContact CB-CB 3.89Å; L190-A195 WeakPolarHBondContact O-CB 3.43Å; L190-A195 PolarHBondContact O-N 2.89Å; A195-P197 WeakPolarHBondContact O-CD 3.13Å
196	D	93.6	Very high	93.2	Very high	34 Å²	34	52.3 Å²	52.3	18%	0.182	27%	0.27	C	S	.	.			trans	-84.5	115.2	-179.7	-174.2	-8.4	0	0	0	110.3	N129 G194 T198 I199	N129-D196 WeakPolarHBondContact OD1-CB 3.41Å; N129-D196 PolarHBondContact OD1-N 3.26Å; G194-D196 PolarHBondContact O-N 3.46Å; D196-T198 VanDerWaalsContact CG-OG1 3.27Å; D196-T198 PolarHBondContact O-N 3.13Å; D196-T198 WeakPolarHBondContact OD1-CB 3.42Å; D196-T198 PolarHBondContact OD1-N 3.01Å; D196-T198 PolarHBondContact OD1-OG1 2.94Å; D196-T198 PolarHBondContact OD2-OG1 3.08Å; D196-I199 HydrophobicContact CB-CD1 3.92Å; D196-I199 HydrophobicContact CB-CG1 3.94Å
197	P	93.8	Very high	93.2	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.019	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.7	178	33.7	-36.5	0	0	0	113.4	L175 A195 P207 L220 A223 E224	L175-P197 HydrophobicContact CD2-CB 3.97Å; A195-P197 WeakPolarHBondContact O-CD 3.13Å; P197-P207 VanDerWaalsContact O-CD 3.27Å; P197-P207 WeakPolarHBondContact O-CD 3.33Å; P197-L220 HydrophobicContact CB-CD2 4.22Å; P197-A223 HydrophobicContact CG-CB 4.04Å; P197-E224 HydrophobicContact CB-CG 3.75Å; P197-E224 HydrophobicContact CG-CB 4.35Å; P197-E224 HydrophobicContact CG-CG 3.66Å
198	T	92.1	Very high	93	Very high	52 Å²	52	53.3 Å²	53.3	32%	0.319	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.4	-176.6	71.1	0	0	0	0	113.9	D196 V200 E224	D196-T198 VanDerWaalsContact CG-OG1 3.27Å; D196-T198 PolarHBondContact O-N 3.13Å; D196-T198 WeakPolarHBondContact OD1-CB 3.42Å; D196-T198 PolarHBondContact OD1-N 3.01Å; D196-T198 PolarHBondContact OD1-OG1 2.94Å; D196-T198 PolarHBondContact OD2-OG1 3.08Å; T198-V200 PolarHBondContact O-N 2.85Å; T198-E224 HydrophobicContact CG2-CG 4.35Å
199	I	92.8	Very high	93	Very high	34 Å²	34	54.2 Å²	54.2	17%	0.174	29%	0.285	C	S	.	.			trans	-59.5	129.4	178.7	-63.5	172.9	0	0	0	109.6	N129 V131 H176 D196 P207	N129-I199 HydrophobicContact CB-CD1 3.78Å; V131-I199 HydrophobicContact CG1-CG2 4.27Å; H176-I199 PolarHBondContact CE1-O 3.19Å; H176-I199 VanDerWaalsContact CE1-O 3.27Å; D196-I199 HydrophobicContact CB-CD1 3.92Å; D196-I199 HydrophobicContact CB-CG1 3.94Å; I199-P207 WeakPolarHBondContact O-CD 3.39Å
200	V	94	Very high	92.9	Very high	78 Å²	78	56.2 Å²	56.2	47%	0.473	29%	0.292	S	S	.	.			trans	-101.8	140.4	172.8	-68.3	0	0	0	0	110.3	T198 H205 R206	T198-V200 PolarHBondContact O-N 2.85Å; V200-H205 WeakPolarHBondContact CA-O 3.48Å; V200-R206 HydrophobicContact CG1-CG 3.71Å
201	N	92.7	Very high	92.7	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.043	30%	0.295	C	S	.	.			trans	-77.9	177.2	170.4	67.9	12.1	0	0	0	111.7	R170 R203 G204 H205 Y210	R170-N201 WeakPolarHBondContact O-CB 3.46Å; N201-R203 PolarHBondContact O-N 3.14Å; N201-R203 WeakPolarHBondContact OD1-CA 3.4Å; N201-R203 WeakPolarHBondContact OD1-CB 3.39Å; N201-R203 PolarHBondContact OD1-N 3.28Å; N201-G204 PolarHBondContact O-N 2.9Å; N201-G204 PolarHBondContact OD1-N 3.38Å; N201-H205 PolarHBondContact N-O 3.22Å; N201-H205 PolarHBondContact OD1-N 3.08Å; N201-H205 PolarHBondContact OD1-O 3.32Å; N201-Y210 PolarHBondContact ND2-OH 3.04Å
202	E	91.3	Very high	92.5	Very high	129 Å²	129	61.2 Å²	61.2	60%	0.603	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.8	178.5	-72.4	-74.6	133	0	0	113.7	R170 G204	R170-E202 HydrophobicContact CB-CB 4.17Å; R170-E202 HydrophobicContact CB-CG 3.53Å; R170-E202 IonicContact NH1-OE2 2.76Å; R170-E202 PolarHBondContact O-N 2.99Å; R170-E202 VanDerWaalsContact O-N 3.1Å; E202-G204 VanDerWaalsContact C-N 3.33Å
203	R	88.6	Confident	92.5	Very high	132 Å²	132	58.3 Å²	58.3	50%	0.498	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.4	173.2	-57.8	-179.1	-179.8	-147.6	-8.1	112.8	D168 N201	D168-R203 VanDerWaalsContact N-NH2 3.2Å; D168-R203 PolarHBondContact O-NE 3.49Å; N201-R203 PolarHBondContact O-N 3.14Å; N201-R203 WeakPolarHBondContact OD1-CA 3.4Å; N201-R203 WeakPolarHBondContact OD1-CB 3.39Å; N201-R203 PolarHBondContact OD1-N 3.28Å
204	G	89.5	Confident	92.4	Very high	45 Å²	45	58.4 Å²	58.4	46%	0.464	31%	0.311	S	S	.	.	S	Bend	trans	79.2	14.4	-175.8	0	0	0	0	0	114.3	N201 E202	N201-G204 PolarHBondContact O-N 2.9Å; N201-G204 PolarHBondContact OD1-N 3.38Å; E202-G204 VanDerWaalsContact C-N 3.33Å
205	H	93.3	Very high	92.5	Very high	72 Å²	72	58.9 Å²	58.9	33%	0.333	31%	0.308	S	S	.	.			trans	-95.6	138.7	-178.9	-60.1	167.9	0	0	0	112	H176 V200 N201 M209 Y210	H176-H205 PolarHBondContact NE2-O 3.02Å; V200-H205 WeakPolarHBondContact CA-O 3.48Å; N201-H205 PolarHBondContact N-O 3.22Å; N201-H205 PolarHBondContact OD1-N 3.08Å; N201-H205 PolarHBondContact OD1-O 3.32Å; H205-M209 HydrophobicContact CB-SD 3.95Å; H205-Y210 HydrophobicContact CB-CE2 3.67Å; H205-Y210 AromaticContact ND1-CZ 3.61Å; H205-Y210 PolarHBondContact ND1-OH 3Å
206	R	94.1	Very high	92.5	Very high	104 Å²	104	58.6 Å²	58.6	39%	0.392	31%	0.306	S	S	.	.			trans	-87.1	160	170.3	-65.9	-176.2	-176	-178.7	1.6	111.4	V200 A208 M209 E224	V200-R206 HydrophobicContact CG1-CG 3.71Å; R206-A208 PolarHBondContact O-N 3.16Å; R206-M209 WeakPolarHBondContact O-CB 3.41Å; R206-M209 PolarHBondContact O-N 3.06Å; R206-M209 VanDerWaalsContact O-N 3.08Å; R206-E224 IonicContact NH1-OE2 3.24Å; R206-E224 PolarHBondContact NH1-OE2 2.85Å
207	P	94.1	Very high	92.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-50.2	-42.8	171.8	-25.5	31.9	0	0	0	113	L175 H176 V179 P197 I199 M209 Y210 L220	L175-P207 HydrophobicContact CD2-CB 4.29Å; L175-P207 HydrophobicContact CD2-CG 4.08Å; L175-P207 HydrophobicContact CG-CB 4.18Å; L175-P207 HydrophobicContact CG-CG 4.26Å; H176-P207 WeakPolarHBondContact NE2-CD 3.27Å; V179-P207 WeakPolarHBondContact CG1-O 3.39Å; V179-P207 HydrophobicContact CG2-CB 4.24Å; P197-P207 VanDerWaalsContact O-CD 3.27Å; P197-P207 WeakPolarHBondContact O-CD 3.33Å; I199-P207 WeakPolarHBondContact O-CD 3.39Å; P207-M209 PolarHBondContact O-N 3.44Å; P207-M209 VanDerWaalsContact O-N 3.14Å; P207-Y210 PolarHBondContact O-N 3.29Å; P207-L220 HydrophobicContact CB-CD1 4.44Å
208	A	93.1	Very high	92.5	Very high	22 Å²	22	68.8 Å²	68.8	18%	0.182	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-58.8	-28.3	-178.8	0	0	0	0	0	114	R206 Y210 A211 L220	R206-A208 PolarHBondContact O-N 3.16Å; A208-Y210 PolarHBondContact O-N 3.27Å; A208-A211 WeakPolarHBondContact O-CB 3.34Å; A208-A211 PolarHBondContact O-N 3.1Å; A208-L220 HydrophobicContact CB-CB 4.2Å; A208-L220 HydrophobicContact CB-CD1 4.11Å
209	M	93.6	Very high	92.6	Very high	127 Å²	127	69 Å²	69	63%	0.626	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-70.6	-21.2	177.9	-63.9	179.8	163.7	0	0	112.9	H205 R206 P207	H205-M209 HydrophobicContact CB-SD 3.95Å; R206-M209 WeakPolarHBondContact O-CB 3.41Å; R206-M209 PolarHBondContact O-N 3.06Å; R206-M209 VanDerWaalsContact O-N 3.08Å; P207-M209 PolarHBondContact O-N 3.44Å; P207-M209 VanDerWaalsContact O-N 3.14Å
210	Y	92.1	Very high	92.6	Very high	54 Å²	54	67.4 Å²	67.4	21%	0.212	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-91.3	-5.9	177.2	-66.2	-72.2	0	0	0	113.2	H176 L180 N201 H205 P207 A208 K212	H176-Y210 AromaticContact CD2-CD2 3.99Å; H176-Y210 AromaticContact CD2-CE2 3.89Å; L180-Y210 HydrophobicContact CD2-CD1 3.53Å; L180-Y210 HydrophobicContact CD2-CE1 4.21Å; L180-Y210 HydrophobicContact CD2-CG 3.89Å; L180-Y210 HydrophobicContact CG-CD1 4.34Å; L180-Y210 HydrophobicContact CG-CG 4.25Å; N201-Y210 PolarHBondContact ND2-OH 3.04Å; H205-Y210 HydrophobicContact CB-CE2 3.67Å; H205-Y210 AromaticContact ND1-CZ 3.61Å; H205-Y210 PolarHBondContact ND1-OH 3Å; P207-Y210 PolarHBondContact O-N 3.29Å; A208-Y210 PolarHBondContact O-N 3.27Å; Y210-K212 PolarHBondContact O-N 3.06Å
211	A	92.9	Very high	92.6	Very high	9 Å²	9	66.4 Å²	66.4	7%	0.074	34%	0.337	C	S	.	.			trans	-70.8	117.2	-176.5	0	0	0	0	0	111.6	V179 A208 I216 R217 L220	V179-A211 VanDerWaalsContact CG1-CA 3.44Å; V179-A211 HydrophobicContact CG1-CB 3.77Å; A208-A211 WeakPolarHBondContact O-CB 3.34Å; A208-A211 PolarHBondContact O-N 3.1Å; A211-I216 HydrophobicContact CB-CB 4.38Å; A211-I216 HydrophobicContact CB-CG2 4Å; A211-R217 HydrophobicContact CB-CB 4.23Å; A211-R217 PolarHBondContact O-NH2 3Å; A211-L220 HydrophobicContact CB-CD1 4.4Å
212	K	90.7	Very high	92.6	Very high	133 Å²	133	70.8 Å²	70.8	58%	0.578	36%	0.358	S	S	*	.			trans	-79.4	-49.4	175.7	-61.1	175.1	-174.8	165.2	0	110.4	Y210 R217	Y210-K212 PolarHBondContact O-N 3.06Å; K212-R217 PolarHBondContact O-NH2 3.23Å
213	D	91.8	Very high	92.7	Very high	68 Å²	68	65.5 Å²	65.5	36%	0.364	34%	0.336	S	S	.	.	S	Bend	trans	-77.7	144.4	-178.4	-65.5	-9.9	0	0	0	112.3	N182 S215 I216 R217	N182-D213 PolarHBondContact ND2-OD1 2.76Å; N182-D213 PolarHBondContact ND2-OD2 2.63Å; N182-D213 VanDerWaalsContact OD1-CG 3.28Å; N182-D213 PolarHBondContact OD1-N 3.31Å; N182-D213 PolarHBondContact OD1-OD2 2.78Å; D213-S215 VanDerWaalsContact C-N 3.34Å; D213-I216 HydrophobicContact CB-CD1 4.44Å; D213-I216 HydrophobicContact CB-CG1 4.34Å; D213-R217 PolarHBondContact O-N 3.45Å
214	S	92.1	Very high	92.9	Very high	72 Å²	72	61.1 Å²	61.1	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-39.1	174	54.5	0	0	0	0	112.1	I216 R217 E218	S214-I216 PolarHBondContact O-N 3.41Å; S214-R217 WeakPolarHBondContact O-CB 3.42Å; S214-R217 PolarHBondContact O-N 2.87Å; S214-R217 VanDerWaalsContact O-N 3.13Å; S214-E218 WeakPolarHBondContact O-CG 3.31Å; S214-E218 PolarHBondContact O-N 3.27Å
215	S	92.9	Very high	93	Very high	54 Å²	54	61.9 Å²	61.9	38%	0.378	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-43.8	179.6	57.9	0	0	0	0	112.5	D213 R217 E218 L219	D213-S215 VanDerWaalsContact C-N 3.34Å; S215-R217 VanDerWaalsContact C-N 3.34Å; S215-E218 PolarHBondContact O-N 2.94Å; S215-L219 VanDerWaalsContact O-CG 3.28Å; S215-L219 WeakPolarHBondContact O-CG 3.37Å; S215-L219 PolarHBondContact O-N 3.33Å
216	I	93.8	Very high	93	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-67.3	-38.7	176.7	-63.2	178.4	0	0	0	110.5	V179 N182 V187 A211 D213 S214 L219 L220	V179-I216 HydrophobicContact CG1-CG2 4.15Å; V179-I216 HydrophobicContact CG2-CG2 4.11Å; N182-I216 WeakPolarHBondContact OD1-CD1 3.3Å; V187-I216 HydrophobicContact CG1-CG2 4.47Å; V187-I216 HydrophobicContact CG2-CG2 4.22Å; A211-I216 HydrophobicContact CB-CB 4.38Å; A211-I216 HydrophobicContact CB-CG2 4Å; D213-I216 HydrophobicContact CB-CD1 4.44Å; D213-I216 HydrophobicContact CB-CG1 4.34Å; S214-I216 PolarHBondContact O-N 3.41Å; I216-L219 PolarHBondContact O-N 2.93Å; I216-L220 HydrophobicContact CG2-CD1 3.86Å; I216-L220 HydrophobicContact CG2-CG 4.32Å; I216-L220 WeakPolarHBondContact O-CB 3.36Å; I216-L220 VanDerWaalsContact O-CG 3.27Å; I216-L220 WeakPolarHBondContact O-CG 3.48Å; I216-L220 PolarHBondContact O-N 3.49Å
217	R	94	Very high	92.8	Very high	119 Å²	119	61.5 Å²	61.5	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-43.1	177.4	-167.5	-179.1	-57.4	114.8	11	111.8	A211 K212 D213 S214 S215 L220 A221	A211-R217 HydrophobicContact CB-CB 4.23Å; A211-R217 PolarHBondContact O-NH2 3Å; K212-R217 PolarHBondContact O-NH2 3.23Å; D213-R217 PolarHBondContact O-N 3.45Å; S214-R217 WeakPolarHBondContact O-CB 3.42Å; S214-R217 PolarHBondContact O-N 2.87Å; S214-R217 VanDerWaalsContact O-N 3.13Å; S215-R217 VanDerWaalsContact C-N 3.34Å; R217-L220 PolarHBondContact O-N 3.23Å; R217-A221 WeakPolarHBondContact O-CB 3.34Å; R217-A221 PolarHBondContact O-N 3.33Å
218	E	93.5	Very high	92.6	Very high	133 Å²	133	64.4 Å²	64.4	62%	0.621	34%	0.343	S	S	*	.	H	α-helix	trans	-63.4	-46.2	175.5	-73.1	167.2	-161	0	0	111.4	S214 S215 L220 A221 E222	S214-E218 WeakPolarHBondContact O-CG 3.31Å; S214-E218 PolarHBondContact O-N 3.27Å; S215-E218 PolarHBondContact O-N 2.94Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 2.92Å; E218-A221 PolarHBondContact O-N 3.42Å; E218-E222 PolarHBondContact O-N 2.76Å
219	L	93	Very high	92.4	Very high	56 Å²	56	69.1 Å²	69.1	29%	0.293	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-41.8	176.1	-73.3	173	0	0	0	112.6	S215 I216 A223	S215-L219 VanDerWaalsContact O-CG 3.28Å; S215-L219 WeakPolarHBondContact O-CG 3.37Å; S215-L219 PolarHBondContact O-N 3.33Å; I216-L219 PolarHBondContact O-N 2.93Å; L219-A223 WeakPolarHBondContact O-CB 3.31Å; L219-A223 PolarHBondContact O-N 3.4Å
220	L	94.1	Very high	92.2	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-70.1	-39.3	177.2	-69.8	169.8	0	0	0	111.7	L175 V179 V187 L191 P197 P207 A208 A211 I216 R217 E218 E222 A223 E224	L175-L220 HydrophobicContact CD1-CD2 4.29Å; L175-L220 HydrophobicContact CD2-CD2 4.04Å; L175-L220 HydrophobicContact CG-CD2 4.32Å; V179-L220 HydrophobicContact CG1-CD1 4.36Å; V179-L220 HydrophobicContact CG2-CD1 3.7Å; V179-L220 HydrophobicContact CG2-CD2 4.47Å; V187-L220 HydrophobicContact CG1-CD2 4.15Å; V187-L220 HydrophobicContact CG1-CG 4.5Å; L191-L220 HydrophobicContact CD1-CD2 4.42Å; P197-L220 HydrophobicContact CB-CD2 4.22Å; P207-L220 HydrophobicContact CB-CD1 4.44Å; A208-L220 HydrophobicContact CB-CB 4.2Å; A208-L220 HydrophobicContact CB-CD1 4.11Å; A211-L220 HydrophobicContact CB-CD1 4.4Å; I216-L220 HydrophobicContact CG2-CD1 3.86Å; I216-L220 HydrophobicContact CG2-CG 4.32Å; I216-L220 WeakPolarHBondContact O-CB 3.36Å; I216-L220 VanDerWaalsContact O-CG 3.27Å; I216-L220 WeakPolarHBondContact O-CG 3.48Å; I216-L220 PolarHBondContact O-N 3.49Å; R217-L220 PolarHBondContact O-N 3.23Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 2.92Å; L220-E222 VanDerWaalsContact C-N 3.34Å; L220-E222 PolarHBondContact O-N 3.25Å; L220-A223 PolarHBondContact O-N 3.35Å; L220-E224 WeakPolarHBondContact O-CB 3.38Å; L220-E224 VanDerWaalsContact O-CG 3.31Å; L220-E224 WeakPolarHBondContact O-CG 3.4Å; L220-E224 PolarHBondContact O-N 2.9Å
221	A	93.2	Very high	92	Very high	57 Å²	57	69.1 Å²	69.1	47%	0.471	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-41.9	175.9	0	0	0	0	0	111.6	R217 E218 E224 S225	R217-A221 WeakPolarHBondContact O-CB 3.34Å; R217-A221 PolarHBondContact O-N 3.33Å; E218-A221 PolarHBondContact O-N 3.42Å; A221-E224 PolarHBondContact O-N 3.03Å; A221-S225 PolarHBondContact O-N 2.77Å
222	E	93.2	Very high	91.7	Very high	101 Å²	101	70.8 Å²	70.8	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-63.3	-43.9	174.2	-169.3	-170.8	157.9	0	0	111.4	E218 L220 S225 K226	E218-E222 PolarHBondContact O-N 2.76Å; L220-E222 VanDerWaalsContact C-N 3.34Å; L220-E222 PolarHBondContact O-N 3.25Å; E222-S225 PolarHBondContact O-N 2.64Å; E222-K226 HydrophobicContact CG-CD 4.39Å; E222-K226 WeakPolarHBondContact O-CG 3.4Å; E222-K226 PolarHBondContact O-N 2.83Å; E222-K226 VanDerWaalsContact OE1-CE 3.3Å; E222-K226 WeakPolarHBondContact OE1-CE 3.49Å; E222-K226 IonicContact OE1-NZ 3.61Å; E222-K226 PolarHBondContact OE1-NZ 3.42Å
223	A	93.4	Very high	91.6	Very high	17 Å²	17	67.2 Å²	67.2	14%	0.14	38%	0.375	C	S	.	.	H	α-helix	trans	-65.8	-38.4	176.9	0	0	0	0	0	112.7	L191 P197 L219 L220 K226 K227	L191-A223 HydrophobicContact CD1-CB 3.89Å; L191-A223 HydrophobicContact CD2-CB 3.73Å; L191-A223 HydrophobicContact CG-CB 4.39Å; P197-A223 HydrophobicContact CG-CB 4.04Å; L219-A223 WeakPolarHBondContact O-CB 3.31Å; L219-A223 PolarHBondContact O-N 3.4Å; L220-A223 PolarHBondContact O-N 3.35Å; A223-K226 PolarHBondContact O-N 3.03Å; A223-K227 VanDerWaalsContact O-CB 3.31Å; A223-K227 WeakPolarHBondContact O-CB 3.39Å; A223-K227 PolarHBondContact O-N 3.42Å
224	E	92.5	Very high	91.4	Very high	40 Å²	40	71.1 Å²	71.1	19%	0.187	39%	0.389	C	S	.	.	H	α-helix	trans	-62	-43.7	173.6	-77	-175.6	-161.9	0	0	110.8	P197 T198 R206 L220 A221 K227 A228	P197-E224 HydrophobicContact CB-CG 3.75Å; P197-E224 HydrophobicContact CG-CB 4.35Å; P197-E224 HydrophobicContact CG-CG 3.66Å; T198-E224 HydrophobicContact CG2-CG 4.35Å; R206-E224 IonicContact NH1-OE2 3.24Å; R206-E224 PolarHBondContact NH1-OE2 2.85Å; L220-E224 WeakPolarHBondContact O-CB 3.38Å; L220-E224 VanDerWaalsContact O-CG 3.31Å; L220-E224 WeakPolarHBondContact O-CG 3.4Å; L220-E224 PolarHBondContact O-N 2.9Å; A221-E224 PolarHBondContact O-N 3.03Å; E224-K227 PolarHBondContact O-N 2.9Å; E224-A228 WeakPolarHBondContact O-CB 3.34Å; E224-A228 PolarHBondContact O-N 2.85Å
225	S	92.3	Very high	91.2	Very high	62 Å²	62	70.9 Å²	70.9	43%	0.434	38%	0.38	S	S	.	.	H	α-helix	trans	-61	-50.8	174.9	-166.5	0	0	0	0	111.5	A221 E222 K227 A228 E229	A221-S225 PolarHBondContact O-N 2.77Å; E222-S225 PolarHBondContact O-N 2.64Å; S225-K227 VanDerWaalsContact C-N 3.28Å; S225-K227 PolarHBondContact O-N 3.17Å; S225-A228 WeakPolarHBondContact O-CB 3.41Å; S225-A228 PolarHBondContact O-N 3.2Å; S225-E229 WeakPolarHBondContact O-CG 3.43Å; S225-E229 PolarHBondContact O-N 3.36Å
226	K	92.3	Very high	90.8	Very high	118 Å²	118	75.7 Å²	75.7	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-58.1	-40.7	177.4	-76.1	172.5	170.7	169.4	0	111.9	E222 A223 E229 E230	E222-K226 HydrophobicContact CG-CD 4.39Å; E222-K226 WeakPolarHBondContact O-CG 3.4Å; E222-K226 PolarHBondContact O-N 2.83Å; E222-K226 VanDerWaalsContact OE1-CE 3.3Å; E222-K226 WeakPolarHBondContact OE1-CE 3.49Å; E222-K226 IonicContact OE1-NZ 3.61Å; E222-K226 PolarHBondContact OE1-NZ 3.42Å; A223-K226 PolarHBondContact O-N 3.03Å; K226-E229 PolarHBondContact O-N 3.32Å; K226-E230 PolarHBondContact O-N 2.95Å
227	K	89.8	Confident	90.5	Very high	50 Å²	50	80.3 Å²	80.3	22%	0.217	41%	0.412	C	S	.	.	H	α-helix	trans	-69	-41.7	177.9	-170	68.7	-167	169.5	0	111.7	A223 E224 S225 E229 E230 V231	A223-K227 VanDerWaalsContact O-CB 3.31Å; A223-K227 WeakPolarHBondContact O-CB 3.39Å; A223-K227 PolarHBondContact O-N 3.42Å; E224-K227 PolarHBondContact O-N 2.9Å; S225-K227 VanDerWaalsContact C-N 3.28Å; S225-K227 PolarHBondContact O-N 3.17Å; K227-E229 VanDerWaalsContact C-N 3.29Å; K227-E229 PolarHBondContact O-N 2.89Å; K227-E230 WeakPolarHBondContact CD-OE2 3.28Å; K227-E230 VanDerWaalsContact NZ-CD 3.28Å; K227-E230 IonicContact NZ-OE1 3.01Å; K227-E230 PolarHBondContact NZ-OE1 3.26Å; K227-E230 IonicContact NZ-OE2 2.64Å; K227-E230 PolarHBondContact NZ-OE2 3.33Å; K227-E230 PolarHBondContact O-N 2.93Å; K227-V231 HydrophobicContact CG-CG2 4.49Å; K227-V231 WeakPolarHBondContact O-CB 3.29Å; K227-V231 VanDerWaalsContact O-CG2 3.29Å; K227-V231 WeakPolarHBondContact O-CG2 3.5Å; K227-V231 PolarHBondContact O-N 2.98Å
228	A	89.2	Confident	90	Very high	60 Å²	60	79.6 Å²	79.6	50%	0.496	41%	0.413	S	S	.	.	H	α-helix	trans	-60.2	-41.4	174.7	0	0	0	0	0	111.3	E224 S225 V231 A232	E224-A228 WeakPolarHBondContact O-CB 3.34Å; E224-A228 PolarHBondContact O-N 2.85Å; S225-A228 WeakPolarHBondContact O-CB 3.41Å; S225-A228 PolarHBondContact O-N 3.2Å; A228-V231 PolarHBondContact O-N 3.39Å; A228-A232 VanDerWaalsContact O-CB 3.24Å; A228-A232 WeakPolarHBondContact O-CB 3.36Å; A228-A232 PolarHBondContact O-N 3.26Å
229	E	89.8	Confident	89.6	Confident	122 Å²	122	76.1 Å²	76.1	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-63.1	-44.4	173.8	-72.3	170.2	-156	0	0	112.5	S225 K226 K227 A232 A233	S225-E229 WeakPolarHBondContact O-CG 3.43Å; S225-E229 PolarHBondContact O-N 3.36Å; K226-E229 PolarHBondContact O-N 3.32Å; K227-E229 VanDerWaalsContact C-N 3.29Å; K227-E229 PolarHBondContact O-N 2.89Å; E229-A232 PolarHBondContact O-N 3.29Å; E229-A233 VanDerWaalsContact O-CB 3.28Å; E229-A233 WeakPolarHBondContact O-CB 3.49Å; E229-A233 PolarHBondContact O-N 3.37Å
230	E	89.8	Confident	89	Confident	114 Å²	114	82.1 Å²	82.1	53%	0.533	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-46	176.5	-170.8	-160.3	151.4	0	0	111.5	K226 K227 A233 K234	K226-E230 PolarHBondContact O-N 2.95Å; K227-E230 WeakPolarHBondContact CD-OE2 3.28Å; K227-E230 VanDerWaalsContact NZ-CD 3.28Å; K227-E230 IonicContact NZ-OE1 3.01Å; K227-E230 PolarHBondContact NZ-OE1 3.26Å; K227-E230 IonicContact NZ-OE2 2.64Å; K227-E230 PolarHBondContact NZ-OE2 3.33Å; K227-E230 PolarHBondContact O-N 2.93Å; E230-A233 PolarHBondContact O-N 3.45Å; E230-K234 WeakPolarHBondContact O-CB 3.33Å; E230-K234 PolarHBondContact O-N 3.48Å
231	V	88.3	Confident	88.3	Confident	67 Å²	67	88 Å²	88	41%	0.406	44%	0.444	S	S	.	.	H	α-helix	trans	-62.2	-47.3	176.7	172.3	0	0	0	0	110	K227 A228 A233 K234 E235	K227-V231 HydrophobicContact CG-CG2 4.49Å; K227-V231 WeakPolarHBondContact O-CB 3.29Å; K227-V231 VanDerWaalsContact O-CG2 3.29Å; K227-V231 WeakPolarHBondContact O-CG2 3.5Å; K227-V231 PolarHBondContact O-N 2.98Å; A228-V231 PolarHBondContact O-N 3.39Å; V231-A233 VanDerWaalsContact C-N 3.31Å; V231-A233 PolarHBondContact O-N 2.9Å; V231-K234 PolarHBondContact O-N 2.88Å; V231-E235 HydrophobicContact CG1-CG 4.47Å; V231-E235 WeakPolarHBondContact O-CG 3.47Å; V231-E235 PolarHBondContact O-N 2.82Å
232	A	85.9	Confident	87.8	Confident	44 Å²	44	90.8 Å²	90.8	36%	0.364	45%	0.447	S	S	.	.	H	α-helix	trans	-62.1	-37.8	177.6	0	0	0	0	0	112.5	A228 E229 R236	A228-A232 VanDerWaalsContact O-CB 3.24Å; A228-A232 WeakPolarHBondContact O-CB 3.36Å; A228-A232 PolarHBondContact O-N 3.26Å; E229-A232 PolarHBondContact O-N 3.29Å; A232-R236 VanDerWaalsContact O-CB 3.29Å; A232-R236 WeakPolarHBondContact O-CB 3.24Å; A232-R236 PolarHBondContact O-N 3.27Å
233	A	88.3	Confident	87.4	Confident	57 Å²	57	87.6 Å²	87.6	47%	0.471	44%	0.435	S	S	.	.	H	α-helix	trans	-65.9	-44.1	175.8	0	0	0	0	0	111.7	E229 E230 V231 R236 E237	E229-A233 VanDerWaalsContact O-CB 3.28Å; E229-A233 WeakPolarHBondContact O-CB 3.49Å; E229-A233 PolarHBondContact O-N 3.37Å; E230-A233 PolarHBondContact O-N 3.45Å; V231-A233 VanDerWaalsContact C-N 3.31Å; V231-A233 PolarHBondContact O-N 2.9Å; A233-R236 WeakPolarHBondContact O-CB 3.32Å; A233-R236 PolarHBondContact O-N 3.48Å; A233-E237 PolarHBondContact O-N 2.88Å
234	K	88.7	Confident	87.2	Confident	151 Å²	151	87.1 Å²	87.1	66%	0.657	43%	0.43	S	S	*	.	H	α-helix	trans	-62.2	-44.5	175.1	-176	179.4	178.5	-179.6	0	111.8	E230 V231 R236 E237 E238	E230-K234 WeakPolarHBondContact O-CB 3.33Å; E230-K234 PolarHBondContact O-N 3.48Å; V231-K234 PolarHBondContact O-N 2.88Å; K234-R236 VanDerWaalsContact C-N 3.33Å; K234-R236 PolarHBondContact O-N 2.91Å; K234-E237 PolarHBondContact O-N 3.49Å; K234-E238 PolarHBondContact O-N 2.96Å
235	E	86.5	Confident	87.2	Confident	66 Å²	66	86.7 Å²	86.7	31%	0.308	43%	0.428	S	S	.	.	H	α-helix	trans	-64.5	-39	176.1	-70.4	-170.5	150	0	0	111.5	V231 E237 E238 R239 K305	V231-E235 HydrophobicContact CG1-CG 4.47Å; V231-E235 WeakPolarHBondContact O-CG 3.47Å; V231-E235 PolarHBondContact O-N 2.82Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-E237 PolarHBondContact O-N 2.92Å; E235-E238 PolarHBondContact O-N 2.84Å; E235-R239 VanDerWaalsContact O-CG 3.32Å; E235-R239 WeakPolarHBondContact O-CG 3.29Å; E235-R239 PolarHBondContact O-N 3.34Å; E235-K305 IonicContact OE1-NZ 3.21Å; E235-K305 PolarHBondContact OE1-NZ 3.39Å
236	R	86.1	Confident	87.2	Confident	155 Å²	155	87.4 Å²	87.4	59%	0.585	43%	0.427	S	S	*	.	H	α-helix	trans	-62.2	-41.2	173.9	-176.4	-176.1	-67.8	168.7	-0.5	111.8	A232 A233 K234 R239 R240	A232-R236 VanDerWaalsContact O-CB 3.29Å; A232-R236 WeakPolarHBondContact O-CB 3.24Å; A232-R236 PolarHBondContact O-N 3.27Å; A233-R236 WeakPolarHBondContact O-CB 3.32Å; A233-R236 PolarHBondContact O-N 3.48Å; K234-R236 VanDerWaalsContact C-N 3.33Å; K234-R236 PolarHBondContact O-N 2.91Å; R236-R239 PolarHBondContact O-N 3.28Å; R236-R240 PolarHBondContact O-N 3.24Å
237	E	86.5	Confident	87.1	Confident	98 Å²	98	85.4 Å²	85.4	46%	0.458	42%	0.416	S	S	.	.	H	α-helix	trans	-64.4	-43.1	175.2	-179.5	169	-147.5	0	0	111.7	A233 K234 E235 R239 R240 L241	A233-E237 PolarHBondContact O-N 2.88Å; K234-E237 PolarHBondContact O-N 3.49Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-E237 PolarHBondContact O-N 2.92Å; E237-R239 VanDerWaalsContact C-N 3.33Å; E237-R239 PolarHBondContact O-N 3.3Å; E237-R240 WeakPolarHBondContact O-CB 3.3Å; E237-R240 PolarHBondContact O-N 2.67Å; E237-R240 VanDerWaalsContact O-N 3.11Å; E237-R240 IonicContact OE1-NH2 3.03Å; E237-R240 PolarHBondContact OE1-NH2 2.97Å; E237-L241 HydrophobicContact CG-CD1 4.13Å; E237-L241 HydrophobicContact CG-CG 4.46Å; E237-L241 WeakPolarHBondContact O-CG 3.2Å; E237-L241 PolarHBondContact O-N 3.2Å
238	E	83.9	Confident	87.3	Confident	103 Å²	103	83 Å²	83	48%	0.481	41%	0.406	S	S	.	.	H	α-helix	trans	-58	-45.7	175.3	-174.1	175.2	-170.8	0	0	111.3	K234 E235 R240 L241 Q242	K234-E238 PolarHBondContact O-N 2.96Å; E235-E238 PolarHBondContact O-N 2.84Å; E238-R240 VanDerWaalsContact C-N 3.3Å; E238-R240 PolarHBondContact O-N 2.75Å; E238-L241 PolarHBondContact O-N 3.11Å; E238-Q242 PolarHBondContact O-N 3.38Å
239	R	84.4	Confident	87.5	Confident	60 Å²	60	85.3 Å²	85.3	23%	0.226	40%	0.402	C	S	.	.	H	α-helix	trans	-61.3	-36.1	175	-68.7	-166.6	-66.9	-87.1	8.8	113	E235 R236 E237 Q242 E270 Y302	E235-R239 VanDerWaalsContact O-CG 3.32Å; E235-R239 WeakPolarHBondContact O-CG 3.29Å; E235-R239 PolarHBondContact O-N 3.34Å; R236-R239 PolarHBondContact O-N 3.28Å; E237-R239 VanDerWaalsContact C-N 3.33Å; E237-R239 PolarHBondContact O-N 3.3Å; R239-Q242 CarbonylContact O-C 3.55Å; R239-Q242 VanDerWaalsContact O-C 3.3Å; R239-E270 VanDerWaalsContact CD-OE1 3.3Å; R239-E270 WeakPolarHBondContact CD-OE1 3.46Å; R239-E270 WeakPolarHBondContact CD-OE2 3.4Å; R239-E270 IonicContact NE-OE2 3.46Å; R239-Y302 WeakPolarHBondContact CG-OH 3.38Å
240	R	80.7	Confident	87.6	Confident	183 Å²	183	86.9 Å²	86.9	69%	0.691	41%	0.407	S	S	*	.	H	α-helix	trans	-67	-41	175.8	-175.9	-176.4	67.4	177.2	-2.1	111.5	R236 E237 E238	R236-R240 PolarHBondContact O-N 3.24Å; E237-R240 WeakPolarHBondContact O-CB 3.3Å; E237-R240 PolarHBondContact O-N 2.67Å; E237-R240 VanDerWaalsContact O-N 3.11Å; E237-R240 IonicContact OE1-NH2 3.03Å; E237-R240 PolarHBondContact OE1-NH2 2.97Å; E238-R240 VanDerWaalsContact C-N 3.3Å; E238-R240 PolarHBondContact O-N 2.75Å
241	L	80.3	Confident	87.7	Confident	122 Å²	122	84.5 Å²	84.5	64%	0.639	40%	0.4	S	S	*	.	H	α-helix	trans	-73.4	-35.5	-179.9	-67.6	172.8	0	0	0	112.1	E237 E238	E237-L241 HydrophobicContact CG-CD1 4.13Å; E237-L241 HydrophobicContact CG-CG 4.46Å; E237-L241 WeakPolarHBondContact O-CG 3.2Å; E237-L241 PolarHBondContact O-N 3.2Å; E238-L241 PolarHBondContact O-N 3.11Å
242	Q	81	Confident	88	Confident	117 Å²	117	81.9 Å²	81.9	55%	0.547	38%	0.384	S	S	.	.	S	Bend	trans	-125.4	82.3	179.9	-62.7	-169.5	11.3	0	0	110.4	E238 R239	E238-Q242 PolarHBondContact O-N 3.38Å; R239-Q242 CarbonylContact O-C 3.55Å; R239-Q242 VanDerWaalsContact O-C 3.3Å
243	P	85.8	Confident	88.4	Confident	34 Å²	34	80.1 Å²	80.1	22%	0.221	37%	0.368	C	S	.	.			trans	-64.1	144.2	178.7	27.6	-34.6	0	0	0	110.5	E245 N246 R247	P243-E245 PolarHBondContact O-N 3.04Å; P243-N246 HydrophobicContact CG-CB 4.09Å; P243-N246 VanDerWaalsContact CG-ND2 3.3Å; P243-N246 WeakPolarHBondContact CG-ND2 3.25Å; P243-N246 PolarHBondContact O-N 3.43Å; P243-R247 PolarHBondContact O-N 3.44Å
244	L	89.4	Confident	88.5	Confident	7 Å²	7	78 Å²	78	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-50.5	-43	-179.7	172.6	58.4	0	0	0	112.1	N246 R247 L248 I266 Y302	L244-N246 VanDerWaalsContact C-N 3.27Å; L244-N246 PolarHBondContact O-N 3.36Å; L244-R247 PolarHBondContact O-N 2.89Å; L244-L248 HydrophobicContact CD1-CD1 3.84Å; L244-L248 HydrophobicContact CD1-CD2 4.08Å; L244-L248 HydrophobicContact CD1-CG 3.72Å; L244-L248 HydrophobicContact CD2-CD1 4.41Å; L244-L248 HydrophobicContact CG-CD1 3.79Å; L244-L248 HydrophobicContact CG-CG 4.13Å; L244-L248 WeakPolarHBondContact O-CG 3.44Å; L244-L248 PolarHBondContact O-N 3Å; L244-I266 HydrophobicContact CD2-CB 4Å; L244-I266 HydrophobicContact CD2-CD1 3.57Å; L244-I266 HydrophobicContact CD2-CG1 4.41Å; L244-I266 HydrophobicContact CD2-CG2 3.92Å; L244-Y302 HydrophobicContact CB-CE1 4.12Å; L244-Y302 HydrophobicContact CB-CE2 4.2Å; L244-Y302 HydrophobicContact CD1-CD1 3.64Å; L244-Y302 HydrophobicContact CD1-CD2 3.87Å; L244-Y302 HydrophobicContact CD1-CE1 4.1Å; L244-Y302 HydrophobicContact CD1-CE2 4.29Å; L244-Y302 HydrophobicContact CD1-CG 3.5Å; L244-Y302 HydrophobicContact CD2-CD1 4.44Å; L244-Y302 HydrophobicContact CD2-CE1 4.43Å; L244-Y302 HydrophobicContact CG-CD1 4.43Å; L244-Y302 HydrophobicContact CG-CE1 4.44Å
245	E	92.6	Very high	88.7	Confident	30 Å²	30	71.4 Å²	71.4	14%	0.14	32%	0.324	C	S	.	.	H	α-helix	trans	-53.5	-44.2	178.8	-66.9	87	162.8	0	0	112.2	P243 R247 L248 R249 I259 S263 R267	P243-E245 PolarHBondContact O-N 3.04Å; E245-R247 VanDerWaalsContact C-N 3.32Å; E245-R247 PolarHBondContact O-N 3.48Å; E245-L248 PolarHBondContact O-N 2.88Å; E245-R249 WeakPolarHBondContact O-CB 3.12Å; E245-R249 VanDerWaalsContact O-CG 3.27Å; E245-R249 WeakPolarHBondContact O-CG 3.42Å; E245-R249 PolarHBondContact O-N 3.21Å; E245-I259 HydrophobicContact CB-CG2 4.25Å; E245-I259 HydrophobicContact CG-CG2 4.25Å; E245-S263 WeakPolarHBondContact OE1-CB 3.48Å; E245-R267 IonicContact OE1-CZ 3.29Å; E245-R267 IonicContact OE1-NH2 3.2Å; E245-R267 PolarHBondContact OE1-NH2 3.06Å; E245-R267 IonicContact OE2-NH2 2.77Å; E245-R267 PolarHBondContact OE2-NH2 2.88Å
246	N	92.1	Very high	89	Confident	78 Å²	78	70.3 Å²	70.3	42%	0.417	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-31.8	-178.1	-72.4	-10.1	0	0	0	111.8	P243 L244 K250	P243-N246 HydrophobicContact CG-CB 4.09Å; P243-N246 VanDerWaalsContact CG-ND2 3.3Å; P243-N246 WeakPolarHBondContact CG-ND2 3.25Å; P243-N246 PolarHBondContact O-N 3.43Å; L244-N246 VanDerWaalsContact C-N 3.27Å; L244-N246 PolarHBondContact O-N 3.36Å; N246-K250 WeakPolarHBondContact O-CG 3.33Å; N246-K250 PolarHBondContact O-N 3.19Å
247	R	89.8	Confident	89.3	Confident	75 Å²	75	64.1 Å²	64.1	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-70.8	-42.2	173.6	-170.7	178.2	178.8	159.7	-4.7	110.7	P243 L244 E245 K250 D306	P243-R247 PolarHBondContact O-N 3.44Å; L244-R247 PolarHBondContact O-N 2.89Å; E245-R247 VanDerWaalsContact C-N 3.32Å; E245-R247 PolarHBondContact O-N 3.48Å; R247-K250 PolarHBondContact O-N 2.95Å; R247-D306 IonicContact NH2-OD1 3.31Å; R247-D306 IonicContact NH2-OD2 3.68Å; R247-D306 PolarHBondContact NH2-OD2 3.16Å
248	L	94.3	Very high	89.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-46.9	178.3	-66.2	179.1	0	0	0	111.7	L244 E245 K250 V251 I252 I259 L295 Q298 V299	L244-L248 HydrophobicContact CD1-CD1 3.84Å; L244-L248 HydrophobicContact CD1-CD2 4.08Å; L244-L248 HydrophobicContact CD1-CG 3.72Å; L244-L248 HydrophobicContact CD2-CD1 4.41Å; L244-L248 HydrophobicContact CG-CD1 3.79Å; L244-L248 HydrophobicContact CG-CG 4.13Å; L244-L248 WeakPolarHBondContact O-CG 3.44Å; L244-L248 PolarHBondContact O-N 3Å; E245-L248 PolarHBondContact O-N 2.88Å; L248-K250 PolarHBondContact O-N 3.38Å; L248-V251 PolarHBondContact O-N 2.94Å; L248-I252 HydrophobicContact CB-CD1 4.32Å; L248-I252 HydrophobicContact CD2-CD1 4.19Å; L248-I252 WeakPolarHBondContact O-CB 3.47Å; L248-I252 PolarHBondContact O-N 3.19Å; L248-I259 HydrophobicContact CB-CD1 4.38Å; L248-I259 HydrophobicContact CB-CG1 4.37Å; L248-I259 HydrophobicContact CB-CG2 3.99Å; L248-I259 HydrophobicContact CD1-CG2 3.98Å; L248-L295 HydrophobicContact CD1-CD1 3.81Å; L248-L295 HydrophobicContact CD2-CD1 4.02Å; L248-L295 HydrophobicContact CG-CD1 4.41Å; L248-Q298 HydrophobicContact CD2-CB 3.5Å; L248-V299 HydrophobicContact CD2-CG2 4.42Å
249	R	93.5	Very high	90.3	Very high	109 Å²	109	54.7 Å²	54.7	41%	0.411	26%	0.257	S	S	.	.	H	α-helix	trans	-58.1	-28.6	177.5	-75.9	174.3	174.8	166.7	-2.9	114.3	E245 V251 E256 I259	E245-R249 WeakPolarHBondContact O-CB 3.12Å; E245-R249 VanDerWaalsContact O-CG 3.27Å; E245-R249 WeakPolarHBondContact O-CG 3.42Å; E245-R249 PolarHBondContact O-N 3.21Å; R249-V251 VanDerWaalsContact C-N 3.27Å; R249-V251 PolarHBondContact O-N 3.47Å; R249-E256 IonicContact CZ-OE2 2.7Å; R249-E256 IonicContact NE-OE1 2.89Å; R249-E256 PolarHBondContact NE-OE1 3.36Å; R249-E256 IonicContact NE-OE2 3.6Å; R249-E256 PolarHBondContact NE-OE2 3.21Å; R249-E256 IonicContact NH2-OE2 2.92Å; R249-E256 PolarHBondContact NH2-OE2 3.33Å; R249-I259 HydrophobicContact CG-CD1 4.23Å
250	K	92.2	Very high	90.8	Very high	155 Å²	155	56.5 Å²	56.5	67%	0.674	26%	0.264	S	S	*	.	H	α-helix	trans	-66.7	-30.6	176.2	-74.2	171.2	-175.8	-179.2	0	112.3	N246 R247 L248 R473	N246-K250 WeakPolarHBondContact O-CG 3.33Å; N246-K250 PolarHBondContact O-N 3.19Å; R247-K250 PolarHBondContact O-N 2.95Å; L248-K250 PolarHBondContact O-N 3.38Å; K250-R473 PolarHBondContact O-NH1 3.01Å
251	V	92	Very high	91.4	Very high	64 Å²	64	49.9 Å²	49.9	39%	0.388	24%	0.244	S	C	.	.	H	α-helix	trans	-107.9	-38.9	-172.8	-175.2	0	0	0	0	111.9	L248 R249 Q298 R473	L248-V251 PolarHBondContact O-N 2.94Å; R249-V251 VanDerWaalsContact C-N 3.27Å; R249-V251 PolarHBondContact O-N 3.47Å; V251-Q298 HydrophobicContact CB-CG 4.19Å; V251-Q298 HydrophobicContact CG1-CG 3.96Å; V251-R473 VanDerWaalsContact C-NH1 3.26Å; V251-R473 PolarHBondContact O-NH1 2.88Å
252	I	94.4	Very high	92.2	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.062	21%	0.213	C	C	.	.	S	Bend	trans	-92.7	129.6	-178.5	-57	173.1	0	0	0	108.2	L248 Q255 I259 L295 Q298	L248-I252 HydrophobicContact CB-CD1 4.32Å; L248-I252 HydrophobicContact CD2-CD1 4.19Å; L248-I252 WeakPolarHBondContact O-CB 3.47Å; L248-I252 PolarHBondContact O-N 3.19Å; I252-Q255 HydrophobicContact CG2-CB 4.43Å; I252-I259 HydrophobicContact CB-CD1 4.21Å; I252-I259 HydrophobicContact CG2-CD1 4.16Å; I252-L295 HydrophobicContact CD1-CB 3.81Å; I252-L295 HydrophobicContact CD1-CD1 3.26Å; I252-L295 HydrophobicContact CD1-CG 4.1Å; I252-Q298 HydrophobicContact CG1-CG 4.47Å
253	V	93.1	Very high	92.8	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.042	19%	0.188	C	C	.	.			trans	-89.8	126.1	175.3	178.8	0	0	0	0	108.5	E466 E469 L470 R473	V253-E466 HydrophobicContact CG1-CB 3.97Å; V253-E466 HydrophobicContact CG1-CG 4.28Å; V253-E466 WeakPolarHBondContact CG1-O 3.25Å; V253-E469 HydrophobicContact CG1-CB 4Å; V253-E469 HydrophobicContact CG1-CG 4.11Å; V253-E469 HydrophobicContact CG2-CG 4Å; V253-L470 HydrophobicContact CB-CD2 3.8Å; V253-L470 HydrophobicContact CB-CG 3.95Å; V253-L470 HydrophobicContact CG1-CD2 4.44Å; V253-L470 HydrophobicContact CG1-CG 4.02Å; V253-L470 HydrophobicContact CG2-CD2 3.68Å; V253-L470 HydrophobicContact CG2-CG 4.07Å; V253-R473 VanDerWaalsContact CG2-CZ 3.41Å
254	G	91.4	Very high	93.2	Very high	13 Å²	13	39 Å²	39	13%	0.134	19%	0.194	C	C	.	.	S	Bend	trans	65.8	-144.8	179.2	0	0	0	0	0	113.4	E256 I259 E466	G254-E256 VanDerWaalsContact C-N 3.25Å; G254-E256 PolarHBondContact O-N 3.11Å; G254-I259 WeakPolarHBondContact O-CD1 3.39Å; G254-E466 WeakPolarHBondContact CA-OE1 3.18Å
255	Q	93.7	Very high	93.4	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.051	19%	0.192	C	C	.	.			trans	56.4	36.5	177.7	-52.3	-59.6	-39.6	0	0	113.5	I252 A257 A258 I259 F459 L460 F462	I252-Q255 HydrophobicContact CG2-CB 4.43Å; Q255-A257 VanDerWaalsContact C-N 3.32Å; Q255-A257 PolarHBondContact O-N 2.97Å; Q255-A258 HydrophobicContact CB-CB 4.21Å; Q255-A258 WeakPolarHBondContact O-CB 3.46Å; Q255-A258 PolarHBondContact O-N 3.31Å; Q255-I259 WeakPolarHBondContact O-CG1 3.35Å; Q255-I259 PolarHBondContact O-N 3.33Å; Q255-F459 HydrophobicContact CG-CD1 4.09Å; Q255-F459 VanDerWaalsContact OE1-CA 3.27Å; Q255-L460 PolarHBondContact NE2-O 3.46Å; Q255-L460 VanDerWaalsContact OE1-N 3.08Å; Q255-F462 HydrophobicContact CG-CE1 4.45Å
256	E	92.7	Very high	93.5	Very high	43 Å²	43	37.2 Å²	37.2	20%	0.201	19%	0.186	C	C	.	.	H	α-helix	trans	-57.1	-41.5	-174.5	-72.9	-64.1	149.1	0	0	113	R249 G254 A258 I259 R260	R249-E256 IonicContact CZ-OE2 2.7Å; R249-E256 IonicContact NE-OE1 2.89Å; R249-E256 PolarHBondContact NE-OE1 3.36Å; R249-E256 IonicContact NE-OE2 3.6Å; R249-E256 PolarHBondContact NE-OE2 3.21Å; R249-E256 IonicContact NH2-OE2 2.92Å; R249-E256 PolarHBondContact NH2-OE2 3.33Å; G254-E256 VanDerWaalsContact C-N 3.25Å; G254-E256 PolarHBondContact O-N 3.11Å; E256-A258 VanDerWaalsContact C-N 3.31Å; E256-A258 PolarHBondContact O-N 3.17Å; E256-I259 PolarHBondContact O-N 3.3Å; E256-R260 VanDerWaalsContact O-CB 3.27Å; E256-R260 WeakPolarHBondContact O-CB 3.5Å; E256-R260 PolarHBondContact O-N 3.12Å
257	A	92.6	Very high	93.5	Very high	26 Å²	26	39.2 Å²	39.2	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-38.9	176.1	0	0	0	0	0	112.4	Q255 T261 E426	Q255-A257 VanDerWaalsContact C-N 3.32Å; Q255-A257 PolarHBondContact O-N 2.97Å; A257-T261 WeakPolarHBondContact O-CB 3.2Å; A257-T261 PolarHBondContact O-N 3.27Å; A257-T261 PolarHBondContact O-OG1 3.37Å; A257-E426 HydrophobicContact CB-CG 4.41Å
258	A	94.9	Very high	93.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-69.6	-46	177.8	0	0	0	0	0	111.5	Q255 E256 R260 T261 V262 L295 V457 F459	Q255-A258 HydrophobicContact CB-CB 4.21Å; Q255-A258 WeakPolarHBondContact O-CB 3.46Å; Q255-A258 PolarHBondContact O-N 3.31Å; E256-A258 VanDerWaalsContact C-N 3.31Å; E256-A258 PolarHBondContact O-N 3.17Å; A258-R260 VanDerWaalsContact C-N 3.33Å; A258-R260 PolarHBondContact O-N 3.47Å; A258-T261 PolarHBondContact O-N 3.09Å; A258-V262 WeakPolarHBondContact O-CB 3.48Å; A258-V262 WeakPolarHBondContact O-CG2 3.27Å; A258-V262 PolarHBondContact O-N 3.27Å; A258-L295 HydrophobicContact CB-CD2 4.37Å; A258-V457 HydrophobicContact CB-CG1 3.45Å; A258-V457 VanDerWaalsContact CB-CG1 3.45Å; A258-F459 HydrophobicContact CB-CD1 4.48Å; A258-F459 HydrophobicContact CB-CE1 4.22Å; A258-F459 HydrophobicContact CB-CE2 4.31Å; A258-F459 HydrophobicContact CB-CZ 4.14Å
259	I	95.7	Very high	93.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-58.6	-46.4	176.3	-66.9	172.2	0	0	0	110.4	E245 L248 R249 I252 G254 Q255 E256 S263 L295	E245-I259 HydrophobicContact CB-CG2 4.25Å; E245-I259 HydrophobicContact CG-CG2 4.25Å; L248-I259 HydrophobicContact CB-CD1 4.38Å; L248-I259 HydrophobicContact CB-CG1 4.37Å; L248-I259 HydrophobicContact CB-CG2 3.99Å; L248-I259 HydrophobicContact CD1-CG2 3.98Å; R249-I259 HydrophobicContact CG-CD1 4.23Å; I252-I259 HydrophobicContact CB-CD1 4.21Å; I252-I259 HydrophobicContact CG2-CD1 4.16Å; G254-I259 WeakPolarHBondContact O-CD1 3.39Å; Q255-I259 WeakPolarHBondContact O-CG1 3.35Å; Q255-I259 PolarHBondContact O-N 3.33Å; E256-I259 PolarHBondContact O-N 3.3Å; I259-S263 WeakPolarHBondContact O-CB 3.09Å; I259-S263 PolarHBondContact O-N 3.14Å; I259-S263 PolarHBondContact O-OG 3.47Å; I259-L295 HydrophobicContact CG1-CD1 4.48Å
260	R	94.1	Very high	93.2	Very high	98 Å²	98	39.3 Å²	39.3	37%	0.37	19%	0.191	S	C	.	.	H	α-helix	trans	-60.7	-48.1	179.2	-175.2	-174.6	-61.8	167.9	0.5	111.7	E256 A258 S263 A264 D424 E426	E256-R260 VanDerWaalsContact O-CB 3.27Å; E256-R260 WeakPolarHBondContact O-CB 3.5Å; E256-R260 PolarHBondContact O-N 3.12Å; A258-R260 VanDerWaalsContact C-N 3.33Å; A258-R260 PolarHBondContact O-N 3.47Å; R260-S263 PolarHBondContact O-N 3.41Å; R260-A264 VanDerWaalsContact O-CB 3.23Å; R260-A264 WeakPolarHBondContact O-CB 3.26Å; R260-A264 PolarHBondContact O-N 2.83Å; R260-D424 IonicContact CZ-OD1 3.5Å; R260-D424 IonicContact NH1-OD1 3.64Å; R260-D424 IonicContact NH2-OD1 2.93Å; R260-D424 PolarHBondContact NH2-OD1 2.76Å; R260-E426 IonicContact NH1-OE1 3.26Å; R260-E426 PolarHBondContact NH1-OE1 3.28Å
261	T	94.4	Very high	93	Very high	45 Å²	45	35.4 Å²	35.4	28%	0.276	18%	0.177	S	C	.	.	H	α-helix	trans	-62.4	-49	-178.3	-56.4	0	0	0	0	111.3	A257 A258 A264 A265 E455 V457	A257-T261 WeakPolarHBondContact O-CB 3.2Å; A257-T261 PolarHBondContact O-N 3.27Å; A257-T261 PolarHBondContact O-OG1 3.37Å; A258-T261 PolarHBondContact O-N 3.09Å; T261-A264 PolarHBondContact O-N 3.42Å; T261-A265 PolarHBondContact O-N 3.28Å; T261-A265 VanDerWaalsContact O-N 3.15Å; T261-E455 HydrophobicContact CG2-CB 4.17Å; T261-E455 HydrophobicContact CG2-CG 4.33Å; T261-V457 HydrophobicContact CG2-CG2 4.04Å
262	V	96.1	Very high	92.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-44.9	180	172.5	0	0	0	0	111	A258 A264 A265 I266 F282 F284 L295 V299 V457	A258-V262 WeakPolarHBondContact O-CB 3.48Å; A258-V262 WeakPolarHBondContact O-CG2 3.27Å; A258-V262 PolarHBondContact O-N 3.27Å; V262-A264 PolarHBondContact O-N 3.03Å; V262-A265 PolarHBondContact O-N 3.25Å; V262-I266 HydrophobicContact CG1-CD1 3.63Å; V262-I266 HydrophobicContact CG1-CG1 4.48Å; V262-I266 WeakPolarHBondContact O-CG1 3.47Å; V262-I266 PolarHBondContact O-N 3.44Å; V262-F282 HydrophobicContact CG2-CD1 4.4Å; V262-F282 HydrophobicContact CG2-CE1 4.4Å; V262-F284 HydrophobicContact CG2-CE1 3.77Å; V262-F284 HydrophobicContact CG2-CZ 3.8Å; V262-L295 HydrophobicContact CG2-CD2 3.93Å; V262-V299 HydrophobicContact CG1-CG2 3.78Å; V262-V457 HydrophobicContact CG2-CG1 4.33Å; V262-V457 HydrophobicContact CG2-CG2 3.95Å
263	S	94.9	Very high	92.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.007	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-37.5	-179.2	-55	0	0	0	0	112.3	E245 I259 R260 I266 R267	E245-S263 WeakPolarHBondContact OE1-CB 3.48Å; I259-S263 WeakPolarHBondContact O-CB 3.09Å; I259-S263 PolarHBondContact O-N 3.14Å; I259-S263 PolarHBondContact O-OG 3.47Å; R260-S263 PolarHBondContact O-N 3.41Å; S263-I266 PolarHBondContact O-N 2.83Å; S263-R267 WeakPolarHBondContact O-CB 3.03Å; S263-R267 PolarHBondContact O-N 2.91Å
264	A	93.8	Very high	92.4	Very high	42 Å²	42	46.7 Å²	46.7	35%	0.347	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-42.2	175.2	0	0	0	0	0	112.2	R260 T261 V262 R268	R260-A264 VanDerWaalsContact O-CB 3.23Å; R260-A264 WeakPolarHBondContact O-CB 3.26Å; R260-A264 PolarHBondContact O-N 2.83Å; T261-A264 PolarHBondContact O-N 3.42Å; V262-A264 PolarHBondContact O-N 3.03Å; A264-R268 WeakPolarHBondContact O-CG 3.3Å; A264-R268 PolarHBondContact O-N 3.04Å
265	A	94	Very high	92.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-41.3	177	0	0	0	0	0	112.6	T261 V262 R268 K269 F282	T261-A265 PolarHBondContact O-N 3.28Å; T261-A265 VanDerWaalsContact O-N 3.15Å; V262-A265 PolarHBondContact O-N 3.25Å; A265-R268 WeakPolarHBondContact O-CB 3.39Å; A265-R268 PolarHBondContact O-N 3.43Å; A265-K269 PolarHBondContact O-N 2.92Å; A265-K269 VanDerWaalsContact O-N 3.12Å; A265-F282 HydrophobicContact CB-CE1 3.56Å; A265-F282 HydrophobicContact CB-CZ 3.45Å; A265-F282 VanDerWaalsContact CB-CZ 3.45Å
266	I	93.5	Very high	92	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-43	174.7	-68.2	164.8	0	0	0	110.9	L244 V262 S263 R268 K269 E270 V299 L303 I395	L244-I266 HydrophobicContact CD2-CB 4Å; L244-I266 HydrophobicContact CD2-CD1 3.57Å; L244-I266 HydrophobicContact CD2-CG1 4.41Å; L244-I266 HydrophobicContact CD2-CG2 3.92Å; V262-I266 HydrophobicContact CG1-CD1 3.63Å; V262-I266 HydrophobicContact CG1-CG1 4.48Å; V262-I266 WeakPolarHBondContact O-CG1 3.47Å; V262-I266 PolarHBondContact O-N 3.44Å; S263-I266 PolarHBondContact O-N 2.83Å; I266-R268 VanDerWaalsContact C-N 3.27Å; I266-R268 PolarHBondContact O-N 2.98Å; I266-K269 WeakPolarHBondContact O-CA 3.49Å; I266-K269 WeakPolarHBondContact O-CB 3.29Å; I266-K269 PolarHBondContact O-N 3.2Å; I266-E270 HydrophobicContact CG2-CG 4.11Å; I266-E270 WeakPolarHBondContact O-CG 3.5Å; I266-E270 PolarHBondContact O-N 3.48Å; I266-V299 HydrophobicContact CD1-CB 4.42Å; I266-V299 HydrophobicContact CD1-CG1 3.5Å; I266-V299 HydrophobicContact CD1-CG2 4.03Å; I266-L303 HydrophobicContact CG2-CD2 4Å; I266-I395 HydrophobicContact CG1-CD1 4.29Å
267	R	91.7	Very high	91.8	Very high	119 Å²	119	58.2 Å²	58.2	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-39	176	-177.4	-176.1	-62.2	158.8	5.1	111.9	E245 S263 N271	E245-R267 IonicContact OE1-CZ 3.29Å; E245-R267 IonicContact OE1-NH2 3.2Å; E245-R267 PolarHBondContact OE1-NH2 3.06Å; E245-R267 IonicContact OE2-NH2 2.77Å; E245-R267 PolarHBondContact OE2-NH2 2.88Å; S263-R267 WeakPolarHBondContact O-CB 3.03Å; S263-R267 PolarHBondContact O-N 2.91Å; R267-N271 WeakPolarHBondContact CG-ND2 3.31Å; R267-N271 WeakPolarHBondContact O-CB 3.47Å; R267-N271 PolarHBondContact O-N 3.32Å; R267-N271 PolarHBondContact O-ND2 3.19Å
268	R	92.5	Very high	91.8	Very high	105 Å²	105	59.6 Å²	59.6	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-49.5	172.3	-83	-172.9	-71	156	-10.2	110.6	A264 A265 I266 N271 G272 W273 E455	A264-R268 WeakPolarHBondContact O-CG 3.3Å; A264-R268 PolarHBondContact O-N 3.04Å; A265-R268 WeakPolarHBondContact O-CB 3.39Å; A265-R268 PolarHBondContact O-N 3.43Å; I266-R268 VanDerWaalsContact C-N 3.27Å; I266-R268 PolarHBondContact O-N 2.98Å; R268-N271 PolarHBondContact O-N 3.21Å; R268-G272 PolarHBondContact O-N 3.2Å; R268-W273 HydrophobicContact CB-CB 4.3Å; R268-W273 WeakPolarHBondContact CB-O 3.38Å; R268-W273 HydrophobicContact CG-CB 4.31Å; R268-W273 PolarHBondContact O-N 3.44Å; R268-E455 IonicContact NH2-OE1 3.68Å; R268-E455 PolarHBondContact NH2-OE1 3.15Å
269	K	90.6	Very high	91.8	Very high	26 Å²	26	59.6 Å²	59.6	11%	0.113	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-52.5	177.7	-175.2	170.5	-171	169.2	0	113.3	A265 I266 N271 G272 Y274 L280 K392 D393 A394 I395	A265-K269 PolarHBondContact O-N 2.92Å; A265-K269 VanDerWaalsContact O-N 3.12Å; I266-K269 WeakPolarHBondContact O-CA 3.49Å; I266-K269 WeakPolarHBondContact O-CB 3.29Å; I266-K269 PolarHBondContact O-N 3.2Å; K269-N271 PolarHBondContact O-N 3.09Å; K269-N271 VanDerWaalsContact O-N 3.09Å; K269-G272 PolarHBondContact O-N 3.32Å; K269-Y274 VanDerWaalsContact CA-CD1 3.47Å; K269-Y274 HydrophobicContact CB-CD1 4.22Å; K269-Y274 HydrophobicContact CB-CG 4.22Å; K269-Y274 HydrophobicContact CG-CD1 4.09Å; K269-Y274 HydrophobicContact CG-CD2 4.21Å; K269-Y274 HydrophobicContact CG-CE1 4.12Å; K269-Y274 HydrophobicContact CG-CE2 4.29Å; K269-Y274 HydrophobicContact CG-CG 4.12Å; K269-Y274 WeakPolarHBondContact O-CD1 3.23Å; K269-Y274 VanDerWaalsContact O-CE1 3.23Å; K269-Y274 WeakPolarHBondContact O-CE1 3.33Å; K269-L280 HydrophobicContact CB-CD1 3.76Å; K269-L280 HydrophobicContact CD-CD1 3.6Å; K269-L280 HydrophobicContact CD-CG 3.97Å; K269-L280 HydrophobicContact CG-CD1 4.28Å; K269-K392 PolarHBondContact NZ-O 2.8Å; K269-D393 PolarHBondContact NZ-O 3.43Å; K269-A394 PolarHBondContact NZ-O 2.86Å; K269-I395 HydrophobicContact CD-CD1 4.5Å; K269-I395 HydrophobicContact CD-CG1 4.43Å
270	E	88.3	Confident	91.7	Very high	55 Å²	55	60 Å²	60	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-20.4	-179.1	-70	-177.1	141.4	0	0	114.1	R239 I266	R239-E270 VanDerWaalsContact CD-OE1 3.3Å; R239-E270 WeakPolarHBondContact CD-OE1 3.46Å; R239-E270 WeakPolarHBondContact CD-OE2 3.4Å; R239-E270 IonicContact NE-OE2 3.46Å; I266-E270 HydrophobicContact CG2-CG 4.11Å; I266-E270 WeakPolarHBondContact O-CG 3.5Å; I266-E270 PolarHBondContact O-N 3.48Å
271	N	88.1	Confident	91.8	Very high	73 Å²	73	55.4 Å²	55.4	39%	0.39	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	7.3	178.3	-67.2	-56.1	0	0	0	113.6	R267 R268 K269 W273	R267-N271 WeakPolarHBondContact CG-ND2 3.31Å; R267-N271 WeakPolarHBondContact O-CB 3.47Å; R267-N271 PolarHBondContact O-N 3.32Å; R267-N271 PolarHBondContact O-ND2 3.19Å; R268-N271 PolarHBondContact O-N 3.21Å; K269-N271 PolarHBondContact O-N 3.09Å; K269-N271 VanDerWaalsContact O-N 3.09Å; N271-W273 VanDerWaalsContact C-N 3.34Å; N271-W273 PolarHBondContact O-N 2.82Å
272	G	87.3	Confident	92	Very high	46 Å²	46	53.3 Å²	53.3	47%	0.474	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	11.3	178	0	0	0	0	0	115.3	R268 K269 Y274	R268-G272 PolarHBondContact O-N 3.2Å; K269-G272 PolarHBondContact O-N 3.32Å; G272-Y274 VanDerWaalsContact C-N 3.29Å; G272-Y274 PolarHBondContact O-N 3.06Å
273	W	90.9	Very high	92	Very high	204 Å²	204	53.3 Å²	53.3	77%	0.773	26%	0.256	S	S	*	.			trans	-94.4	49	177.7	-63.5	94.2	0	0	0	111.7	R268 N271	R268-W273 HydrophobicContact CB-CB 4.3Å; R268-W273 WeakPolarHBondContact CB-O 3.38Å; R268-W273 HydrophobicContact CG-CB 4.31Å; R268-W273 PolarHBondContact O-N 3.44Å; N271-W273 VanDerWaalsContact C-N 3.34Å; N271-W273 PolarHBondContact O-N 2.82Å
274	Y	88.9	Confident	92.2	Very high	71 Å²	71	53.3 Å²	53.3	28%	0.278	26%	0.256	S	S	.	.	S	Bend	trans	-137.8	171.7	-176.5	71.9	-76.9	0	0	0	110.9	K269 G272 E276	K269-Y274 VanDerWaalsContact CA-CD1 3.47Å; K269-Y274 HydrophobicContact CB-CD1 4.22Å; K269-Y274 HydrophobicContact CB-CG 4.22Å; K269-Y274 HydrophobicContact CG-CD1 4.09Å; K269-Y274 HydrophobicContact CG-CD2 4.21Å; K269-Y274 HydrophobicContact CG-CE1 4.12Å; K269-Y274 HydrophobicContact CG-CE2 4.29Å; K269-Y274 HydrophobicContact CG-CG 4.12Å; K269-Y274 WeakPolarHBondContact O-CD1 3.23Å; K269-Y274 VanDerWaalsContact O-CE1 3.23Å; K269-Y274 WeakPolarHBondContact O-CE1 3.33Å; G272-Y274 VanDerWaalsContact C-N 3.29Å; G272-Y274 PolarHBondContact O-N 3.06Å; Y274-E276 HydrophobicContact CE2-CG 4.48Å
275	D	88.3	Confident	92.3	Very high	78 Å²	78	51.3 Å²	51.3	42%	0.417	24%	0.239	S	C	.	.			trans	-80.2	114.4	174.2	-173.4	-14.5	0	0	0	109.9	D277 H278	D275-D277 PolarHBondContact O-N 3.21Å; D275-D277 WeakPolarHBondContact OD1-CB 3.34Å; D275-D277 PolarHBondContact OD1-N 3.03Å; D275-H278 VanDerWaalsContact CG-ND1 3.35Å; D275-H278 IonicContact OD1-ND1 3.57Å; D275-H278 IonicContact OD2-CE1 3.34Å; D275-H278 IonicContact OD2-CG 2.75Å; D275-H278 IonicContact OD2-ND1 2.84Å; D275-H278 PolarHBondContact OD2-ND1 3.04Å
276	E	87.8	Confident	92.3	Very high	135 Å²	135	51.3 Å²	51.3	63%	0.631	24%	0.239	S	C	*	.	S	Bend	trans	-73.2	-13.6	179.7	-63.7	-177	179.4	0	0	113.1	Y274 K392	Y274-E276 HydrophobicContact CE2-CG 4.48Å; E276-K392 WeakPolarHBondContact O-CD 3.35Å; E276-K392 PolarHBondContact O-NZ 2.9Å; E276-K392 VanDerWaalsContact O-NZ 3.17Å
277	D	89.8	Confident	92.3	Very high	96 Å²	96	51.4 Å²	51.4	51%	0.513	24%	0.24	S	C	.	.	S	Bend	trans	-89.3	-23.1	-179.5	-75.3	-40.7	0	0	0	113.9	D275 K392	D275-D277 PolarHBondContact O-N 3.21Å; D275-D277 WeakPolarHBondContact OD1-CB 3.34Å; D275-D277 PolarHBondContact OD1-N 3.03Å; D277-K392 WeakPolarHBondContact O-CE 3.48Å; D277-K392 IonicContact OD1-NZ 2.76Å; D277-K392 PolarHBondContact OD1-NZ 3.36Å
278	H	92.2	Very high	92.4	Very high	55 Å²	55	46.8 Å²	46.8	26%	0.255	23%	0.226	S	C	.	.	S	Bend	trans	-126.8	140.5	-174.7	-54.5	91.3	0	0	0	111.8	D275 F376 D377	D275-H278 VanDerWaalsContact CG-ND1 3.35Å; D275-H278 IonicContact OD1-ND1 3.57Å; D275-H278 IonicContact OD2-CE1 3.34Å; D275-H278 IonicContact OD2-CG 2.75Å; D275-H278 IonicContact OD2-ND1 2.84Å; D275-H278 PolarHBondContact OD2-ND1 3.04Å; H278-F376 PolarHBondContact CD2-O 3.41Å; H278-D377 PolarHBondContact CD2-O 2.84Å; H278-D377 PolarHBondContact NE2-O 3.12Å; H278-D377 VanDerWaalsContact NE2-O 3.1Å
279	P	94.5	Very high	92.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	22%	0.216	C	C	.	.			trans	-70.7	161.2	176.9	32.1	-35.8	0	0	0	111.8	V281 K392 F396 N454	P279-V281 HydrophobicContact CG-CG2 4.38Å; P279-V281 PolarHBondContact O-N 3.39Å; P279-K392 WeakPolarHBondContact CA-O 3.41Å; P279-F396 HydrophobicContact CB-CD2 3.7Å; P279-F396 HydrophobicContact CB-CE2 3.54Å; P279-F396 HydrophobicContact CG-CD2 3.82Å; P279-F396 HydrophobicContact CG-CE2 3.64Å; P279-N454 PolarHBondContact O-OD1 2.75Å
280	L	94.9	Very high	92.5	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123	171.7	-79.3	-175.6	0	0	0	110.3	K269 F282 I395 F396 N454	K269-L280 HydrophobicContact CB-CD1 3.76Å; K269-L280 HydrophobicContact CD-CD1 3.6Å; K269-L280 HydrophobicContact CD-CG 3.97Å; K269-L280 HydrophobicContact CG-CD1 4.28Å; L280-F282 HydrophobicContact CB-CE2 4.19Å; L280-F282 HydrophobicContact CD1-CE2 4.37Å; L280-F282 HydrophobicContact CD1-CZ 4.37Å; L280-I395 HydrophobicContact CB-CG1 4.38Å; L280-I395 HydrophobicContact CB-CG2 4.36Å; L280-I395 CarbonylContact O-C 3.6Å; L280-F396 PolarHBondContact O-N 3.17Å; L280-N454 WeakPolarHBondContact CA-OD1 3.48Å
281	V	96.2	Very high	92.8	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.4	-179.4	-174.3	0	0	0	0	109.9	P279 F376 F396 M398 I453 N454 E455	P279-V281 HydrophobicContact CG-CG2 4.38Å; P279-V281 PolarHBondContact O-N 3.39Å; V281-F376 HydrophobicContact CG1-CD2 4.07Å; V281-F376 HydrophobicContact CG1-CE1 4.34Å; V281-F376 HydrophobicContact CG1-CE2 3.87Å; V281-F376 HydrophobicContact CG1-CG 4.39Å; V281-F376 HydrophobicContact CG1-CZ 4.02Å; V281-F376 HydrophobicContact CG2-CB 4.09Å; V281-F376 HydrophobicContact CG2-CD1 3.56Å; V281-F376 HydrophobicContact CG2-CD2 4.18Å; V281-F376 HydrophobicContact CG2-CE1 4.01Å; V281-F376 HydrophobicContact CG2-CG 3.67Å; V281-F376 HydrophobicContact CG2-CZ 4.48Å; V281-F396 CarbonylContact C-O 3.58Å; V281-F396 WeakPolarHBondContact CA-O 3.4Å; V281-F396 HydrophobicContact CG1-CB 4.49Å; V281-F396 HydrophobicContact CG2-CB 4.28Å; V281-F396 HydrophobicContact CG2-CD2 4.38Å; V281-M398 HydrophobicContact CG1-CE 3.69Å; V281-I453 HydrophobicContact CG1-CG1 4.25Å; V281-N454 PolarHBondContact N-OD1 2.88Å; V281-N454 PolarHBondContact O-N 3.05Å; V281-E455 PolarHBondContact O-N 3.45Å
282	F	97.3	Very high	93.2	Very high	1 Å²	1	37 Å²	37	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144	175.2	-61.6	-83.9	0	0	0	111.1	V262 A265 L280 F284 I395 F396 I397 M398 E455 V457	V262-F282 HydrophobicContact CG2-CD1 4.4Å; V262-F282 HydrophobicContact CG2-CE1 4.4Å; A265-F282 HydrophobicContact CB-CE1 3.56Å; A265-F282 HydrophobicContact CB-CZ 3.45Å; A265-F282 VanDerWaalsContact CB-CZ 3.45Å; L280-F282 HydrophobicContact CB-CE2 4.19Å; L280-F282 HydrophobicContact CD1-CE2 4.37Å; L280-F282 HydrophobicContact CD1-CZ 4.37Å; F282-F284 HydrophobicContact CB-CD1 4.03Å; F282-F284 HydrophobicContact CB-CE1 3.66Å; F282-F284 HydrophobicContact CD1-CE1 4.47Å; F282-F284 HydrophobicContact CG-CE1 4.17Å; F282-I395 HydrophobicContact CD2-CG2 3.88Å; F282-I395 HydrophobicContact CE2-CG2 3.69Å; F282-F396 PolarHBondContact N-O 3.05Å; F282-I397 HydrophobicContact CB-CG1 4.34Å; F282-I397 HydrophobicContact CD2-CG1 4.07Å; F282-M398 PolarHBondContact O-N 2.9Å; F282-E455 WeakPolarHBondContact CA-O 3.22Å; F282-E455 HydrophobicContact CD1-CB 3.86Å; F282-E455 HydrophobicContact CE1-CB 4.05Å; F282-E455 HydrophobicContact CE1-CG 4.26Å; F282-V457 HydrophobicContact CD1-CG2 4.05Å
283	L	96.6	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.8	167.2	178.8	63.5	0	0	0	110.2	L285 M398 L440 F444 I453 E455 M456 V457	L283-L285 HydrophobicContact CD1-CD2 4.29Å; L283-L285 HydrophobicContact CD2-CD1 4.29Å; L283-L285 HydrophobicContact CD2-CD2 4.01Å; L283-L285 HydrophobicContact CD2-CG 4.29Å; L283-L285 HydrophobicContact CG-CD1 4.47Å; L283-L285 HydrophobicContact CG-CD2 3.91Å; L283-L285 HydrophobicContact CG-CG 4.03Å; L283-M398 HydrophobicContact CB-CE 4.43Å; L283-M398 HydrophobicContact CD1-CB 3.76Å; L283-M398 HydrophobicContact CD1-CE 4.46Å; L283-L440 HydrophobicContact CD2-CD1 4.45Å; L283-L440 HydrophobicContact CD2-CD2 4.29Å; L283-F444 HydrophobicContact CD1-CZ 4.25Å; L283-F444 HydrophobicContact CD2-CE2 4.37Å; L283-I453 HydrophobicContact CB-CD1 4.01Å; L283-I453 HydrophobicContact CB-CG2 3.85Å; L283-I453 HydrophobicContact CD2-CD1 3.87Å; L283-I453 HydrophobicContact CG-CD1 4.49Å; L283-E455 PolarHBondContact N-O 2.96Å; L283-E455 VanDerWaalsContact N-O 3.08Å; L283-M456 HydrophobicContact CB-CG 4.43Å; L283-M456 HydrophobicContact CD2-CG 4.46Å; L283-V457 PolarHBondContact O-N 3.2Å
284	F	97.9	Very high	93.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115	179.6	-70.6	5.6	0	0	0	110	V262 F282 K292 L295 A296 I397 M398 T399 S400 V457 F459	V262-F284 HydrophobicContact CG2-CE1 3.77Å; V262-F284 HydrophobicContact CG2-CZ 3.8Å; F282-F284 HydrophobicContact CB-CD1 4.03Å; F282-F284 HydrophobicContact CB-CE1 3.66Å; F282-F284 HydrophobicContact CD1-CE1 4.47Å; F282-F284 HydrophobicContact CG-CE1 4.17Å; F284-K292 HydrophobicContact CB-CB 4.18Å; F284-K292 HydrophobicContact CB-CD 4.08Å; F284-K292 HydrophobicContact CB-CG 4.08Å; F284-K292 HydrophobicContact CD2-CB 4.13Å; F284-K292 WeakPolarHBondContact CD2-O 3.42Å; F284-L295 HydrophobicContact CE2-CB 4.12Å; F284-L295 HydrophobicContact CE2-CD2 3.87Å; F284-L295 HydrophobicContact CE2-CG 4.06Å; F284-L295 HydrophobicContact CZ-CD2 3.8Å; F284-L295 HydrophobicContact CZ-CG 4.2Å; F284-A296 HydrophobicContact CE2-CB 4.47Å; F284-I397 HydrophobicContact CD1-CG2 4Å; F284-I397 HydrophobicContact CD2-CG2 3.51Å; F284-I397 HydrophobicContact CE1-CG2 3.94Å; F284-I397 HydrophobicContact CE2-CD1 4.32Å; F284-I397 HydrophobicContact CE2-CG2 3.43Å; F284-I397 VanDerWaalsContact CE2-CG2 3.43Å; F284-I397 HydrophobicContact CG-CG2 3.81Å; F284-I397 HydrophobicContact CZ-CD1 4.08Å; F284-I397 HydrophobicContact CZ-CG1 4.4Å; F284-I397 HydrophobicContact CZ-CG2 3.66Å; F284-M398 WeakPolarHBondContact CB-O 3.49Å; F284-M398 PolarHBondContact N-O 2.97Å; F284-T399 WeakPolarHBondContact O-CA 3.34Å; F284-S400 PolarHBondContact O-N 3.04Å; F284-V457 WeakPolarHBondContact CA-O 3.41Å; F284-V457 HydrophobicContact CD1-CB 3.63Å; F284-V457 HydrophobicContact CD1-CG1 4.31Å; F284-V457 HydrophobicContact CD1-CG2 3.89Å; F284-V457 HydrophobicContact CE1-CB 3.89Å; F284-V457 HydrophobicContact CE1-CG1 4.33Å; F284-V457 HydrophobicContact CE1-CG2 3.73Å; F284-F459 HydrophobicContact CB-CD2 4.28Å; F284-F459 HydrophobicContact CB-CE2 3.66Å; F284-F459 HydrophobicContact CB-CZ 4.47Å; F284-F459 HydrophobicContact CD1-CE2 4.05Å; F284-F459 AromaticContact CD2-CE2 3.71Å; F284-F459 HydrophobicContact CD2-CE2 3.71Å; F284-F459 AromaticContact CD2-CZ 3.72Å; F284-F459 HydrophobicContact CD2-CZ 3.72Å; F284-F459 HydrophobicContact CE2-CE2 4.33Å; F284-F459 HydrophobicContact CE2-CZ 4.02Å; F284-F459 AromaticContact CG-CE2 3.54Å; F284-F459 HydrophobicContact CG-CE2 3.54Å; F284-F459 HydrophobicContact CG-CZ 4.05Å
285	L	96.2	Very high	94.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.3	-175.6	-62.2	170.7	0	0	0	110.5	L283 I407 M436 L440 V457 Y458 F459	L283-L285 HydrophobicContact CD1-CD2 4.29Å; L283-L285 HydrophobicContact CD2-CD1 4.29Å; L283-L285 HydrophobicContact CD2-CD2 4.01Å; L283-L285 HydrophobicContact CD2-CG 4.29Å; L283-L285 HydrophobicContact CG-CD1 4.47Å; L283-L285 HydrophobicContact CG-CD2 3.91Å; L283-L285 HydrophobicContact CG-CG 4.03Å; L285-I407 HydrophobicContact CB-CD1 3.94Å; L285-M436 HydrophobicContact CD1-CE 4.22Å; L285-L440 HydrophobicContact CD1-CD1 3.9Å; L285-L440 HydrophobicContact CD1-CD2 4.21Å; L285-L440 HydrophobicContact CD2-CD2 3.78Å; L285-V457 PolarHBondContact N-O 2.92Å; L285-Y458 HydrophobicContact CB-CD1 4.1Å; L285-Y458 HydrophobicContact CB-CE1 4.42Å; L285-Y458 HydrophobicContact CD1-CD1 4.08Å; L285-Y458 HydrophobicContact CD1-CE1 3.57Å; L285-F459 WeakPolarHBondContact O-CB 3.29Å; L285-F459 PolarHBondContact O-N 3.07Å
286	G	94.7	Very high	94.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	151.5	179.3	175.8	0	0	0	0	0	112.5	K292 S400 N401	G286-K292 PolarHBondContact O-NZ 3.49Å; G286-S400 PolarHBondContact N-O 2.91Å; G286-N401 PolarHBondContact O-OD1 2.74Å
287	S	94.3	Very high	95.1	Very high	4 Å²	4	20 Å²	20	3%	0.028	11%	0.111	C	C	.	.			trans	-59.4	163.7	179.3	-61.2	0	0	0	0	113.4	I290 V506	S287-I290 VanDerWaalsContact O-CG2 3.25Å; S287-I290 WeakPolarHBondContact O-CG2 3.24Å; S287-V506 VanDerWaalsContact CB-O 3.25Å; S287-V506 WeakPolarHBondContact CB-O 3.37Å; S287-V506 PolarHBondContact OG-O 3.29Å
288	S	92.7	Very high	95.3	Very high	21 Å²	21	17 Å²	17	15%	0.147	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	147.4	171.6	-167.9	0	0	0	0	110.3	I290 Y507 Y508 G509 R511	S288-I290 PolarHBondContact O-N 3Å; S288-Y507 PolarHBondContact N-O 2.7Å; S288-Y508 CarbonylContact O-C 3.01Å; S288-G509 WeakPolarHBondContact O-CA 3.33Å; S288-G509 PolarHBondContact O-N 2.8Å; S288-R511 VanDerWaalsContact OG-CZ 3.27Å; S288-R511 PolarHBondContact OG-NH1 3.47Å
289	G	92.3	Very high	95.5	Very high	19 Å²	19	14.4 Å²	14.4	20%	0.196	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	12.2	175.1	0	0	0	0	0	116.3	G291 A510	G289-G291 VanDerWaalsContact C-N 3.34Å; G289-A510 VanDerWaalsContact O-CB 3.32Å; G289-A510 WeakPolarHBondContact O-CB 3.48Å; G289-A510 PolarHBondContact O-N 2.93Å
290	I	93.9	Very high	95.5	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	8%	0.083	C	C	.	.	S	Bend	trans	-84.6	-4.3	179.6	-156.5	75	0	0	0	114.3	S287 S288 K292 F459 L460 F462	S287-I290 VanDerWaalsContact O-CG2 3.25Å; S287-I290 WeakPolarHBondContact O-CG2 3.24Å; S288-I290 PolarHBondContact O-N 3Å; I290-K292 HydrophobicContact CG2-CD 4.38Å; I290-K292 HydrophobicContact CG2-CG 3.88Å; I290-F459 HydrophobicContact CB-CB 4.41Å; I290-F459 HydrophobicContact CG1-CB 4.15Å; I290-F459 HydrophobicContact CG2-CB 3.41Å; I290-F459 VanDerWaalsContact CG2-CB 3.41Å; I290-F459 HydrophobicContact CG2-CD1 3.96Å; I290-F459 HydrophobicContact CG2-CG 3.92Å; I290-L460 WeakPolarHBondContact CD1-O 3.33Å; I290-L460 VanDerWaalsContact CG1-O 3.23Å; I290-L460 WeakPolarHBondContact CG1-O 3.4Å; I290-F462 HydrophobicContact CD1-CD1 4.3Å; I290-F462 HydrophobicContact CD1-CD2 3.48Å; I290-F462 VanDerWaalsContact CD1-CD2 3.48Å; I290-F462 HydrophobicContact CD1-CE1 4.18Å; I290-F462 HydrophobicContact CD1-CE2 3.35Å; I290-F462 HydrophobicContact CD1-CG 3.97Å; I290-F462 HydrophobicContact CD1-CZ 3.72Å; I290-F462 HydrophobicContact CG1-CE2 4.14Å; I290-F462 HydrophobicContact CG1-CZ 4.07Å; I290-F462 WeakPolarHBondContact O-CZ 3.35Å
291	G	94.7	Very high	95.4	Very high	22 Å²	22	14.8 Å²	14.8	23%	0.227	9%	0.087	C	C	.	.	S	Bend	trans	108.6	7.6	176.3	0	0	0	0	0	116.2	G289 T293 E294 L295	G289-G291 VanDerWaalsContact C-N 3.34Å; G291-T293 PolarHBondContact O-N 2.76Å; G291-E294 PolarHBondContact O-N 3.21Å; G291-E294 VanDerWaalsContact O-N 3.11Å; G291-L295 PolarHBondContact O-N 3.29Å
292	K	96.6	Very high	95.2	Very high	10 Å²	10	16.1 Å²	16.1	4%	0.043	9%	0.092	C	C	.	.	H	α-helix	trans	-50.9	-56.3	176.8	-62.6	-177.3	-65.1	-167.2	0	113.1	F284 G286 I290 E294 L295 A296 T399 S400 N401 F459	F284-K292 HydrophobicContact CB-CB 4.18Å; F284-K292 HydrophobicContact CB-CD 4.08Å; F284-K292 HydrophobicContact CB-CG 4.08Å; F284-K292 HydrophobicContact CD2-CB 4.13Å; F284-K292 WeakPolarHBondContact CD2-O 3.42Å; G286-K292 PolarHBondContact O-NZ 3.49Å; I290-K292 HydrophobicContact CG2-CD 4.38Å; I290-K292 HydrophobicContact CG2-CG 3.88Å; K292-E294 VanDerWaalsContact C-N 3.28Å; K292-E294 PolarHBondContact O-N 3.4Å; K292-L295 PolarHBondContact O-N 3.01Å; K292-A296 PolarHBondContact O-N 3.09Å; K292-T399 HydrophobicContact CB-CG2 4.07Å; K292-S400 PolarHBondContact NZ-O 3.25Å; K292-N401 PolarHBondContact NZ-OD1 3.2Å; K292-F459 HydrophobicContact CB-CE2 4.49Å; K292-F459 HydrophobicContact CB-CZ 4.37Å; K292-F459 HydrophobicContact CD-CD2 4.33Å; K292-F459 HydrophobicContact CG-CB 4.46Å; K292-F459 HydrophobicContact CG-CD1 4.08Å; K292-F459 HydrophobicContact CG-CD2 3.7Å; K292-F459 HydrophobicContact CG-CE1 4.19Å; K292-F459 HydrophobicContact CG-CE2 3.85Å; K292-F459 HydrophobicContact CG-CG 3.82Å; K292-F459 HydrophobicContact CG-CZ 4.06Å
293	T	95.9	Very high	94.9	Very high	27 Å²	27	18.5 Å²	18.5	17%	0.166	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-33.9	178.1	-48	0	0	0	0	112.2	G291 K297 L357	G291-T293 PolarHBondContact O-N 2.76Å; T293-K297 WeakPolarHBondContact O-CG 3.36Å; T293-K297 PolarHBondContact O-N 3.06Å; T293-K297 VanDerWaalsContact O-N 3.13Å; T293-L357 HydrophobicContact CG2-CD2 3.67Å
294	E	95.5	Very high	94.6	Very high	70 Å²	70	19.5 Å²	19.5	33%	0.327	11%	0.109	S	C	.	.	H	α-helix	trans	-71.7	-42.9	-179.1	-166.9	56	-147.3	0	0	110.9	G291 K292 A296 K297 Q298	G291-E294 PolarHBondContact O-N 3.21Å; G291-E294 VanDerWaalsContact O-N 3.11Å; K292-E294 VanDerWaalsContact C-N 3.28Å; K292-E294 PolarHBondContact O-N 3.4Å; E294-A296 VanDerWaalsContact C-N 3.3Å; E294-A296 PolarHBondContact O-N 3.29Å; E294-K297 WeakPolarHBondContact O-CB 3.29Å; E294-K297 PolarHBondContact O-N 2.89Å; E294-K297 IonicContact OE2-NZ 3.39Å; E294-Q298 WeakPolarHBondContact O-CG 3.5Å; E294-Q298 PolarHBondContact O-N 3.42Å; E294-Q298 PolarHBondContact OE1-NE2 2.99Å
295	L	97.2	Very high	94.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-56	-45.5	173.2	-179.2	60.1	0	0	0	111.5	L248 I252 A258 I259 V262 F284 G291 K292 K297 Q298 V299 F459	L248-L295 HydrophobicContact CD1-CD1 3.81Å; L248-L295 HydrophobicContact CD2-CD1 4.02Å; L248-L295 HydrophobicContact CG-CD1 4.41Å; I252-L295 HydrophobicContact CD1-CB 3.81Å; I252-L295 HydrophobicContact CD1-CD1 3.26Å; I252-L295 HydrophobicContact CD1-CG 4.1Å; A258-L295 HydrophobicContact CB-CD2 4.37Å; I259-L295 HydrophobicContact CG1-CD1 4.48Å; V262-L295 HydrophobicContact CG2-CD2 3.93Å; F284-L295 HydrophobicContact CE2-CB 4.12Å; F284-L295 HydrophobicContact CE2-CD2 3.87Å; F284-L295 HydrophobicContact CE2-CG 4.06Å; F284-L295 HydrophobicContact CZ-CD2 3.8Å; F284-L295 HydrophobicContact CZ-CG 4.2Å; G291-L295 PolarHBondContact O-N 3.29Å; K292-L295 PolarHBondContact O-N 3.01Å; L295-K297 PolarHBondContact O-N 3.45Å; L295-Q298 PolarHBondContact O-N 2.89Å; L295-V299 HydrophobicContact CD1-CG2 4.29Å; L295-V299 VanDerWaalsContact O-CG2 3.3Å; L295-V299 WeakPolarHBondContact O-CG2 3.44Å; L295-V299 PolarHBondContact O-N 2.91Å; L295-F459 HydrophobicContact CB-CE1 4.39Å; L295-F459 HydrophobicContact CB-CZ 4.23Å; L295-F459 HydrophobicContact CD2-CE1 4.1Å; L295-F459 HydrophobicContact CD2-CZ 3.55Å
296	A	97	Very high	93.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-43.9	177.4	0	0	0	0	0	112.8	F284 K292 E294 V299 A300 F311 L357 I397	F284-A296 HydrophobicContact CE2-CB 4.47Å; K292-A296 PolarHBondContact O-N 3.09Å; E294-A296 VanDerWaalsContact C-N 3.3Å; E294-A296 PolarHBondContact O-N 3.29Å; A296-V299 PolarHBondContact O-N 3.37Å; A296-A300 PolarHBondContact O-N 3.06Å; A296-A300 VanDerWaalsContact O-N 3.09Å; A296-F311 HydrophobicContact CB-CE2 4.15Å; A296-L357 HydrophobicContact CB-CD1 3.75Å; A296-L357 HydrophobicContact CB-CD2 4.2Å; A296-L357 HydrophobicContact CB-CG 4.4Å; A296-I397 HydrophobicContact CB-CD1 3.68Å; A296-I397 HydrophobicContact CB-CG2 4.26Å
297	K	96.1	Very high	93	Very high	81 Å²	81	35.7 Å²	35.7	35%	0.352	19%	0.188	S	C	.	.	H	α-helix	trans	-61.8	-44.1	175.6	-73.5	172.7	-177.8	172.4	0	112	T293 E294 L295 A300 A301 F311	T293-K297 WeakPolarHBondContact O-CG 3.36Å; T293-K297 PolarHBondContact O-N 3.06Å; T293-K297 VanDerWaalsContact O-N 3.13Å; E294-K297 WeakPolarHBondContact O-CB 3.29Å; E294-K297 PolarHBondContact O-N 2.89Å; E294-K297 IonicContact OE2-NZ 3.39Å; L295-K297 PolarHBondContact O-N 3.45Å; K297-A300 PolarHBondContact O-N 3.21Å; K297-A301 WeakPolarHBondContact O-CB 3.37Å; K297-A301 PolarHBondContact O-N 3.02Å; K297-F311 HydrophobicContact CG-CD1 4.2Å; K297-F311 HydrophobicContact CG-CE1 3.61Å; K297-F311 HydrophobicContact CG-CE2 4.07Å; K297-F311 HydrophobicContact CG-CZ 3.53Å
298	Q	95.3	Very high	92.5	Very high	33 Å²	33	44.7 Å²	44.7	15%	0.154	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-35.5	-178.7	-64.1	-51.5	-42.5	0	0	112.2	L248 V251 I252 E294 L295 A301 Y302	L248-Q298 HydrophobicContact CD2-CB 3.5Å; V251-Q298 HydrophobicContact CB-CG 4.19Å; V251-Q298 HydrophobicContact CG1-CG 3.96Å; I252-Q298 HydrophobicContact CG1-CG 4.47Å; E294-Q298 WeakPolarHBondContact O-CG 3.5Å; E294-Q298 PolarHBondContact O-N 3.42Å; E294-Q298 PolarHBondContact OE1-NE2 2.99Å; L295-Q298 PolarHBondContact O-N 2.89Å; Q298-A301 PolarHBondContact O-N 2.88Å; Q298-Y302 PolarHBondContact O-N 3.3Å
299	V	95.3	Very high	92.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-47	171.3	167.2	0	0	0	0	110.9	L248 V262 I266 L295 A296 Y302 L303 V355	L248-V299 HydrophobicContact CD2-CG2 4.42Å; V262-V299 HydrophobicContact CG1-CG2 3.78Å; I266-V299 HydrophobicContact CD1-CB 4.42Å; I266-V299 HydrophobicContact CD1-CG1 3.5Å; I266-V299 HydrophobicContact CD1-CG2 4.03Å; L295-V299 HydrophobicContact CD1-CG2 4.29Å; L295-V299 VanDerWaalsContact O-CG2 3.3Å; L295-V299 WeakPolarHBondContact O-CG2 3.44Å; L295-V299 PolarHBondContact O-N 2.91Å; A296-V299 PolarHBondContact O-N 3.37Å; V299-Y302 PolarHBondContact O-N 3.11Å; V299-L303 HydrophobicContact CG1-CD1 3.91Å; V299-L303 WeakPolarHBondContact O-CG 3.41Å; V299-L303 PolarHBondContact O-N 3.47Å; V299-V355 HydrophobicContact CG1-CG2 4.23Å
300	A	95.1	Very high	92.1	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-42.1	177.9	0	0	0	0	0	112.6	A296 K297 Y302 L303 H304 F311 V355	A296-A300 PolarHBondContact O-N 3.06Å; A296-A300 VanDerWaalsContact O-N 3.09Å; K297-A300 PolarHBondContact O-N 3.21Å; A300-Y302 VanDerWaalsContact C-N 3.28Å; A300-Y302 PolarHBondContact O-N 3.03Å; A300-L303 PolarHBondContact O-N 2.98Å; A300-H304 WeakPolarHBondContact O-CB 3.29Å; A300-H304 PolarHBondContact O-CD2 3.36Å; A300-H304 PolarHBondContact O-N 3.13Å; A300-F311 HydrophobicContact CB-CB 3.67Å; A300-F311 HydrophobicContact CB-CD2 3.64Å; A300-F311 HydrophobicContact CB-CG 4.03Å; A300-V355 HydrophobicContact CB-CB 3.68Å; A300-V355 HydrophobicContact CB-CG1 4.22Å; A300-V355 HydrophobicContact CB-CG2 3.79Å
301	A	92.9	Very high	92.2	Very high	16 Å²	16	52.5 Å²	52.5	13%	0.132	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-38.6	176.1	0	0	0	0	0	112.1	K297 Q298 K305 D306	K297-A301 WeakPolarHBondContact O-CB 3.37Å; K297-A301 PolarHBondContact O-N 3.02Å; Q298-A301 PolarHBondContact O-N 2.88Å; A301-K305 WeakPolarHBondContact O-CA 3.19Å; A301-K305 PolarHBondContact O-N 3.15Å; A301-K305 VanDerWaalsContact O-N 3.16Å; A301-D306 WeakPolarHBondContact CB-OD1 3.44Å; A301-D306 PolarHBondContact O-N 3.23Å
302	Y	91.2	Very high	92.3	Very high	29 Å²	29	52.3 Å²	52.3	11%	0.114	25%	0.247	C	C	.	.	H	α-helix	trans	-67	-54.6	174	173.7	-94.3	0	0	0	112.1	R239 L244 Q298 V299 A300 H304 K305	R239-Y302 WeakPolarHBondContact CG-OH 3.38Å; L244-Y302 HydrophobicContact CB-CE1 4.12Å; L244-Y302 HydrophobicContact CB-CE2 4.2Å; L244-Y302 HydrophobicContact CD1-CD1 3.64Å; L244-Y302 HydrophobicContact CD1-CD2 3.87Å; L244-Y302 HydrophobicContact CD1-CE1 4.1Å; L244-Y302 HydrophobicContact CD1-CE2 4.29Å; L244-Y302 HydrophobicContact CD1-CG 3.5Å; L244-Y302 HydrophobicContact CD2-CD1 4.44Å; L244-Y302 HydrophobicContact CD2-CE1 4.43Å; L244-Y302 HydrophobicContact CG-CD1 4.43Å; L244-Y302 HydrophobicContact CG-CE1 4.44Å; Q298-Y302 PolarHBondContact O-N 3.3Å; V299-Y302 PolarHBondContact O-N 3.11Å; A300-Y302 VanDerWaalsContact C-N 3.28Å; A300-Y302 PolarHBondContact O-N 3.03Å; Y302-H304 VanDerWaalsContact C-N 3.31Å; Y302-H304 PolarHBondContact O-N 2.97Å; Y302-K305 PolarHBondContact O-N 3.23Å
303	L	91	Very high	92.3	Very high	50 Å²	50	57.5 Å²	57.5	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-66.2	-33.2	-173.5	-70.1	172.6	0	0	0	113	I266 V299 A300 V355 I395	I266-L303 HydrophobicContact CG2-CD2 4Å; V299-L303 HydrophobicContact CG1-CD1 3.91Å; V299-L303 WeakPolarHBondContact O-CG 3.41Å; V299-L303 PolarHBondContact O-N 3.47Å; A300-L303 PolarHBondContact O-N 2.98Å; L303-V355 HydrophobicContact CD1-CG2 3.95Å; L303-I395 HydrophobicContact CD1-CD1 3.4Å
304	H	90.7	Very high	92.3	Very high	22 Å²	22	56.3 Å²	56.3	10%	0.102	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	17.6	-176	-58.4	-74.4	0	0	0	113.7	A300 Y302 D306 I307 G310 N353	A300-H304 WeakPolarHBondContact O-CB 3.29Å; A300-H304 PolarHBondContact O-CD2 3.36Å; A300-H304 PolarHBondContact O-N 3.13Å; Y302-H304 VanDerWaalsContact C-N 3.31Å; Y302-H304 PolarHBondContact O-N 2.97Å; H304-D306 VanDerWaalsContact C-N 3.27Å; H304-D306 PolarHBondContact O-N 3.34Å; H304-I307 HydrophobicContact CB-CB 4.29Å; H304-I307 VanDerWaalsContact O-CB 3.25Å; H304-I307 WeakPolarHBondContact O-CB 3.12Å; H304-I307 WeakPolarHBondContact O-CD1 3.48Å; H304-I307 WeakPolarHBondContact O-CG1 3.21Å; H304-I307 PolarHBondContact O-N 3.33Å; H304-G310 PolarHBondContact CD2-O 3.31Å; H304-G310 VanDerWaalsContact CD2-O 3.31Å; H304-G310 PolarHBondContact NE2-O 3.38Å; H304-N353 PolarHBondContact CE1-O 3.24Å; H304-N353 PolarHBondContact NE2-O 2.89Å
305	K	86.9	Confident	92.3	Very high	125 Å²	125	55.2 Å²	55.2	54%	0.543	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	48.2	176.4	-56.2	177.3	-173.2	172.6	0	112.2	E235 A301 Y302 I307	E235-K305 IonicContact OE1-NZ 3.21Å; E235-K305 PolarHBondContact OE1-NZ 3.39Å; A301-K305 WeakPolarHBondContact O-CA 3.19Å; A301-K305 PolarHBondContact O-N 3.15Å; A301-K305 VanDerWaalsContact O-N 3.16Å; Y302-K305 PolarHBondContact O-N 3.23Å; K305-I307 PolarHBondContact O-N 2.97Å
306	D	84	Confident	92.1	Very high	107 Å²	107	55.2 Å²	55.2	57%	0.572	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	18	179.3	-59.9	-79.9	0	0	0	115.8	R247 A301 H304 K308	R247-D306 IonicContact NH2-OD1 3.31Å; R247-D306 IonicContact NH2-OD2 3.68Å; R247-D306 PolarHBondContact NH2-OD2 3.16Å; A301-D306 WeakPolarHBondContact CB-OD1 3.44Å; A301-D306 PolarHBondContact O-N 3.23Å; H304-D306 VanDerWaalsContact C-N 3.27Å; H304-D306 PolarHBondContact O-N 3.34Å; D306-K308 PolarHBondContact O-N 2.87Å
307	I	84.1	Confident	91.9	Very high	107 Å²	107	56.5 Å²	56.5	55%	0.549	26%	0.264	S	S	.	.			trans	-72.9	116.9	172.5	-63.1	166.5	0	0	0	110.1	H304 K305 K309 G310	H304-I307 HydrophobicContact CB-CB 4.29Å; H304-I307 VanDerWaalsContact O-CB 3.25Å; H304-I307 WeakPolarHBondContact O-CB 3.12Å; H304-I307 WeakPolarHBondContact O-CD1 3.48Å; H304-I307 WeakPolarHBondContact O-CG1 3.21Å; H304-I307 PolarHBondContact O-N 3.33Å; K305-I307 PolarHBondContact O-N 2.97Å; I307-K309 HydrophobicContact CG2-CB 4.15Å; I307-K309 PolarHBondContact O-N 3.19Å; I307-K309 VanDerWaalsContact O-N 3.12Å; I307-G310 PolarHBondContact O-N 3.31Å
308	K	84.8	Confident	91.7	Very high	194 Å²	194	57.9 Å²	57.9	84%	0.843	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-54.4	-33.8	-179.2	-68	-175.7	178.1	-179	0	114.6	D306 G310 F311	D306-K308 PolarHBondContact O-N 2.87Å; K308-G310 PolarHBondContact O-N 3Å; K308-F311 PolarHBondContact O-N 3.23Å
309	K	84.9	Confident	91.6	Very high	154 Å²	154	56.5 Å²	56.5	67%	0.67	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-68.3	-18.8	179.5	-66.2	-175	178.6	-178.1	0	113.4	I307 F311	I307-K309 HydrophobicContact CG2-CB 4.15Å; I307-K309 PolarHBondContact O-N 3.19Å; I307-K309 VanDerWaalsContact O-N 3.12Å; K309-F311 VanDerWaalsContact C-N 3.27Å; K309-F311 PolarHBondContact O-N 3.43Å
310	G	90.5	Very high	91.5	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.01	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-78.4	-6.9	178.3	0	0	0	0	0	114.3	H304 I307 K308 V355	H304-G310 PolarHBondContact CD2-O 3.31Å; H304-G310 VanDerWaalsContact CD2-O 3.31Å; H304-G310 PolarHBondContact NE2-O 3.38Å; I307-G310 PolarHBondContact O-N 3.31Å; K308-G310 PolarHBondContact O-N 3Å; G310-V355 PolarHBondContact O-N 2.96Å
311	F	96.7	Very high	91.3	Very high	50 Å²	50	67.2 Å²	67.2	22%	0.219	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116	175.1	-177.8	-111.8	0	0	0	110.4	A296 K297 A300 K308 K309 R313 V355 L357	A296-F311 HydrophobicContact CB-CE2 4.15Å; K297-F311 HydrophobicContact CG-CD1 4.2Å; K297-F311 HydrophobicContact CG-CE1 3.61Å; K297-F311 HydrophobicContact CG-CE2 4.07Å; K297-F311 HydrophobicContact CG-CZ 3.53Å; A300-F311 HydrophobicContact CB-CB 3.67Å; A300-F311 HydrophobicContact CB-CD2 3.64Å; A300-F311 HydrophobicContact CB-CG 4.03Å; K308-F311 PolarHBondContact O-N 3.23Å; K309-F311 VanDerWaalsContact C-N 3.27Å; K309-F311 PolarHBondContact O-N 3.43Å; F311-R313 HydrophobicContact CE1-CB 3.84Å; F311-R313 HydrophobicContact CZ-CB 4.09Å; F311-V355 WeakPolarHBondContact CA-O 3.43Å; F311-V355 HydrophobicContact CD2-CG1 4.49Å; F311-L357 HydrophobicContact CE2-CB 3.93Å; F311-L357 HydrophobicContact CE2-CD2 4.4Å; F311-L357 HydrophobicContact CZ-CB 4.01Å; F311-L357 HydrophobicContact CZ-CD2 3.89Å
312	I	96.3	Very high	91	Very high	19 Å²	19	72.7 Å²	72.7	10%	0.097	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.5	177	-59.6	165.4	0	0	0	107	I314 A347 L348 A354 V355 V356 L357	I312-I314 HydrophobicContact CG2-CD1 4.25Å; I312-I314 HydrophobicContact CG2-CG1 4.04Å; I312-A347 HydrophobicContact CD1-CB 3.54Å; I312-A347 HydrophobicContact CG1-CB 3.96Å; I312-A347 HydrophobicContact CG2-CB 3.95Å; I312-L348 HydrophobicContact CD1-CD2 4.2Å; I312-L348 HydrophobicContact CD1-CG 4.41Å; I312-A354 HydrophobicContact CD1-CB 3.63Å; I312-A354 HydrophobicContact CG1-CB 4.14Å; I312-V355 PolarHBondContact N-O 3.04Å; I312-V356 HydrophobicContact CB-CG1 4.48Å; I312-V356 HydrophobicContact CB-CG2 4.27Å; I312-V356 HydrophobicContact CD1-CG2 4.1Å; I312-V356 HydrophobicContact CG2-CG1 4.38Å; I312-V356 CarbonylContact O-C 3.55Å; I312-V356 WeakPolarHBondContact O-CA 3.39Å; I312-L357 PolarHBondContact O-N 3.16Å
313	R	96.5	Very high	90.6	Very high	119 Å²	119	79.1 Å²	79.1	45%	0.449	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.7	174.2	-179.7	176.8	-178.5	-143.7	-0.5	109.4	F311 L357 D359	F311-R313 HydrophobicContact CE1-CB 3.84Å; F311-R313 HydrophobicContact CZ-CB 4.09Å; R313-L357 HydrophobicContact CG-CD2 4.17Å; R313-D359 IonicContact CZ-OD2 2.67Å; R313-D359 IonicContact NE-OD2 3.85Å; R313-D359 PolarHBondContact NE-OD2 2.82Å; R313-D359 IonicContact NH2-OD2 3.72Å; R313-D359 PolarHBondContact NH2-OD2 2.88Å
314	I	96	Very high	90.4	Very high	2 Å²	2	79.6 Å²	79.6	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.6	176.7	-51.7	-174.5	0	0	0	107.6	I312 M316 Y319 F328 L344 L357 F358 D359	I312-I314 HydrophobicContact CG2-CD1 4.25Å; I312-I314 HydrophobicContact CG2-CG1 4.04Å; I314-M316 HydrophobicContact CB-CE 3.75Å; I314-M316 HydrophobicContact CG2-CE 3.2Å; I314-Y319 HydrophobicContact CG2-CD2 4.23Å; I314-Y319 HydrophobicContact CG2-CE2 3.31Å; I314-F328 HydrophobicContact CD1-CD2 4.42Å; I314-F328 HydrophobicContact CD1-CE2 3.79Å; I314-F328 HydrophobicContact CG2-CD2 4.4Å; I314-F328 HydrophobicContact CG2-CE2 4.14Å; I314-L344 HydrophobicContact CD1-CB 3.95Å; I314-L344 HydrophobicContact CD1-CD1 3.77Å; I314-L344 HydrophobicContact CD1-CG 4.4Å; I314-L357 PolarHBondContact N-O 2.85Å; I314-F358 HydrophobicContact CB-CD1 4.23Å; I314-F358 HydrophobicContact CD1-CE1 4.1Å; I314-F358 WeakPolarHBondContact O-CA 3.27Å; I314-D359 PolarHBondContact O-N 2.92Å
315	D	95.5	Very high	90.2	Very high	47 Å²	47	79.4 Å²	79.4	25%	0.251	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	118.6	174.5	-169	-22	0	0	0	108.9	S317 E318 Y319	D315-S317 PolarHBondContact O-N 3.01Å; D315-S317 WeakPolarHBondContact OD1-CB 3.45Å; D315-S317 PolarHBondContact OD1-N 3.34Å; D315-S317 PolarHBondContact OD1-OG 3.01Å; D315-E318 HydrophobicContact CB-CG 4.32Å; D315-E318 PolarHBondContact O-N 2.64Å; D315-Y319 WeakPolarHBondContact O-CD2 3.46Å; D315-Y319 WeakPolarHBondContact O-CE2 3.16Å
316	M	94.6	Very high	90.1	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-73.7	-13.7	-178.6	-63	-70.7	95.8	0	0	112.7	I314 E318 Y319 F328 F358 D359 A364 V368	I314-M316 HydrophobicContact CB-CE 3.75Å; I314-M316 HydrophobicContact CG2-CE 3.2Å; M316-E318 PolarHBondContact O-N 2.92Å; M316-Y319 HydrophobicContact CE-CD2 3.89Å; M316-Y319 HydrophobicContact CE-CE2 4.07Å; M316-Y319 PolarHBondContact O-N 3.49Å; M316-Y319 VanDerWaalsContact O-N 3.14Å; M316-F328 HydrophobicContact CE-CE2 4.01Å; M316-F358 HydrophobicContact CE-CB 4.41Å; M316-F358 HydrophobicContact CE-CD1 3.69Å; M316-F358 HydrophobicContact CE-CE1 4.5Å; M316-F358 HydrophobicContact CE-CG 4.48Å; M316-F358 HydrophobicContact CG-CB 4.03Å; M316-F358 HydrophobicContact SD-CB 4.15Å; M316-F358 HydrophobicContact SD-CD1 4.09Å; M316-F358 HydrophobicContact SD-CG 4.43Å; M316-D359 WeakPolarHBondContact CB-O 3.39Å; M316-D359 VanDerWaalsContact CG-O 3.3Å; M316-D359 WeakPolarHBondContact CG-O 3.26Å; M316-D359 PolarHBondContact N-O 3.34Å; M316-A364 HydrophobicContact CB-CB 3.98Å; M316-A364 HydrophobicContact CG-CB 4.37Å; M316-A364 HydrophobicContact SD-CB 4.2Å; M316-V368 HydrophobicContact SD-CG1 4.12Å
317	S	92.2	Very high	90.2	Very high	28 Å²	28	77 Å²	77	20%	0.196	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-64.4	-22.5	170.1	-58.4	0	0	0	0	112.8	D315 Y319 Q320 E360 K363	D315-S317 PolarHBondContact O-N 3.01Å; D315-S317 WeakPolarHBondContact OD1-CB 3.45Å; D315-S317 PolarHBondContact OD1-N 3.34Å; D315-S317 PolarHBondContact OD1-OG 3.01Å; S317-Y319 PolarHBondContact O-N 3.45Å; S317-Q320 PolarHBondContact O-NE2 3.24Å; S317-E360 PolarHBondContact OG-OE2 2.73Å; S317-K363 WeakPolarHBondContact OG-CD 3.3Å
318	E	91.9	Very high	90.3	Very high	109 Å²	109	72 Å²	72	51%	0.509	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-79.9	-2	175.4	-63.3	-177.4	-176.3	0	0	113.5	D315 M316 E324	D315-E318 HydrophobicContact CB-CG 4.32Å; D315-E318 PolarHBondContact O-N 2.64Å; M316-E318 PolarHBondContact O-N 2.92Å; E318-E324 WeakPolarHBondContact O-CB 3.24Å
319	Y	93.5	Very high	90.3	Very high	5 Å²	5	64.5 Å²	64.5	2%	0.02	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-129	43.4	-178	-53.2	-86.9	0	0	0	111.4	I314 D315 M316 S317 E324 F328 Q343 H365	I314-Y319 HydrophobicContact CG2-CD2 4.23Å; I314-Y319 HydrophobicContact CG2-CE2 3.31Å; D315-Y319 WeakPolarHBondContact O-CD2 3.46Å; D315-Y319 WeakPolarHBondContact O-CE2 3.16Å; M316-Y319 HydrophobicContact CE-CD2 3.89Å; M316-Y319 HydrophobicContact CE-CE2 4.07Å; M316-Y319 PolarHBondContact O-N 3.49Å; M316-Y319 VanDerWaalsContact O-N 3.14Å; S317-Y319 PolarHBondContact O-N 3.45Å; Y319-E324 HydrophobicContact CD1-CB 4.16Å; Y319-E324 WeakPolarHBondContact CD1-O 3.49Å; Y319-F328 HydrophobicContact CD1-CB 3.79Å; Y319-F328 HydrophobicContact CD1-CD2 4.45Å; Y319-F328 HydrophobicContact CD1-CG 4.44Å; Y319-F328 HydrophobicContact CE1-CB 3.57Å; Y319-F328 HydrophobicContact CE1-CD2 4.03Å; Y319-F328 HydrophobicContact CE1-CG 4.24Å; Y319-F328 HydrophobicContact CE2-CD2 4.21Å; Y319-F328 AromaticContact CZ-CD2 3.85Å; Y319-Q343 VanDerWaalsContact OH-CD 3.24Å; Y319-Q343 PolarHBondContact OH-OE1 3.38Å; Y319-H365 VanDerWaalsContact O-CB 3.24Å; Y319-H365 WeakPolarHBondContact O-CB 3.23Å; Y319-H365 PolarHBondContact O-N 2.88Å
320	Q	92.4	Very high	90.3	Very high	104 Å²	104	57.7 Å²	57.7	49%	0.486	27%	0.274	S	S	.	.			trans	-79.5	-29.9	176.7	-80.3	175.3	87.8	0	0	111.2	S317 E324 K363 H365	S317-Q320 PolarHBondContact O-NE2 3.24Å; Q320-E324 PolarHBondContact N-OE2 2.86Å; Q320-E324 VanDerWaalsContact N-OE2 3.11Å; Q320-K363 WeakPolarHBondContact CG-O 3.4Å; Q320-H365 PolarHBondContact O-CD2 2.84Å
321	E	91.6	Very high	89.8	Confident	123 Å²	123	58.4 Å²	58.4	58%	0.575	28%	0.279	S	S	*	.	S	Bend	trans	-100.3	147.9	-175.9	-64.9	-62.9	160.4	0	0	112.6	H323 E324 V325	E321-H323 PolarHBondContact O-N 3.49Å; E321-H323 VanDerWaalsContact O-N 3.14Å; E321-E324 HydrophobicContact CB-CG 4.2Å; E321-E324 PolarHBondContact N-OE2 3.48Å; E321-E324 WeakPolarHBondContact O-CB 3.42Å; E321-E324 PolarHBondContact O-N 2.89Å; E321-V325 PolarHBondContact O-N 3.15Å
322	K	86.4	Confident	88.8	Confident	132 Å²	132	58.9 Å²	58.9	57%	0.574	29%	0.287	S	S	*	.	H	α-helix	trans	-56.6	-35.7	-178	-172.8	173	-175.3	173.9	0	113.5	E324 V325	K322-E324 VanDerWaalsContact C-N 3.3Å; K322-E324 PolarHBondContact O-N 2.96Å; K322-V325 WeakPolarHBondContact O-CB 3.4Å; K322-V325 PolarHBondContact O-N 3.1Å
323	H	83.1	Confident	87.8	Confident	163 Å²	163	62.4 Å²	62.4	76%	0.755	31%	0.311	S	S	*	.	H	α-helix	trans	-73.3	-21.3	-179.9	-59.3	-58.7	0	0	0	113.3	E321	E321-H323 PolarHBondContact O-N 3.49Å; E321-H323 VanDerWaalsContact O-N 3.14Å
324	E	86.5	Confident	87	Confident	60 Å²	60	60.7 Å²	60.7	28%	0.28	33%	0.331	S	S	.	.	H	α-helix	trans	-77.9	-29.9	176.8	-64.7	171.8	154.6	0	0	111.2	E318 Y319 Q320 E321 K322 S326 K327 F328	E318-E324 WeakPolarHBondContact O-CB 3.24Å; Y319-E324 HydrophobicContact CD1-CB 4.16Å; Y319-E324 WeakPolarHBondContact CD1-O 3.49Å; Q320-E324 PolarHBondContact N-OE2 2.86Å; Q320-E324 VanDerWaalsContact N-OE2 3.11Å; E321-E324 HydrophobicContact CB-CG 4.2Å; E321-E324 PolarHBondContact N-OE2 3.48Å; E321-E324 WeakPolarHBondContact O-CB 3.42Å; E321-E324 PolarHBondContact O-N 2.89Å; K322-E324 VanDerWaalsContact C-N 3.3Å; K322-E324 PolarHBondContact O-N 2.96Å; E324-S326 PolarHBondContact O-N 3.3Å; E324-K327 WeakPolarHBondContact O-CA 3.33Å; E324-K327 WeakPolarHBondContact O-CB 3.26Å; E324-K327 PolarHBondContact O-N 2.73Å; E324-F328 PolarHBondContact O-N 2.97Å
325	V	85.9	Confident	86.1	Confident	18 Å²	18	68.2 Å²	68.2	11%	0.109	36%	0.36	C	S	.	.	H	α-helix	trans	-55.1	-37.4	176.6	-173	0	0	0	0	112	E321 K322 K327 F328 H365 D367 V368	E321-V325 PolarHBondContact O-N 3.15Å; K322-V325 WeakPolarHBondContact O-CB 3.4Å; K322-V325 PolarHBondContact O-N 3.1Å; V325-K327 PolarHBondContact O-N 3.37Å; V325-F328 VanDerWaalsContact O-CB 3.23Å; V325-F328 WeakPolarHBondContact O-CB 3.3Å; V325-F328 PolarHBondContact O-N 2.88Å; V325-H365 HydrophobicContact CG2-CB 3.99Å; V325-D367 HydrophobicContact CG1-CB 4.11Å; V325-D367 HydrophobicContact CG2-CB 4.39Å; V325-V368 HydrophobicContact CB-CG2 4.22Å; V325-V368 HydrophobicContact CG1-CG2 3.91Å; V325-V368 HydrophobicContact CG2-CG2 3.66Å
326	S	84.9	Confident	84.9	Confident	42 Å²	42	73 Å²	73	29%	0.294	39%	0.391	S	S	.	.	H	α-helix	trans	-61.6	-31.5	175.7	-59.6	0	0	0	0	112.8	E324 F328 G330 S331	E324-S326 PolarHBondContact O-N 3.3Å; S326-F328 VanDerWaalsContact C-N 3.29Å; S326-F328 PolarHBondContact O-N 3.49Å; S326-G330 CarbonylContact O-C 3.58Å; S326-G330 WeakPolarHBondContact O-CA 3.4Å; S326-G330 PolarHBondContact O-N 2.69Å; S326-S331 PolarHBondContact O-N 2.78Å; S326-S331 VanDerWaalsContact O-N 3.13Å
327	K	85.2	Confident	83.7	Confident	140 Å²	140	74.3 Å²	74.3	61%	0.609	40%	0.404	S	S	*	.	H	α-helix	trans	-73.4	-21.9	175.9	-60.6	178.7	179.9	172.6	0	112.6	E324 V325 G342 Q343	E324-K327 WeakPolarHBondContact O-CA 3.33Å; E324-K327 WeakPolarHBondContact O-CB 3.26Å; E324-K327 PolarHBondContact O-N 2.73Å; V325-K327 PolarHBondContact O-N 3.37Å; K327-G342 WeakPolarHBondContact O-CA 3.18Å; K327-Q343 PolarHBondContact O-N 3.18Å
328	F	87.9	Confident	82.4	Confident	1 Å²	1	74.8 Å²	74.8	0%	0.004	40%	0.404	C	S	.	.	H	α-helix	trans	-69.7	-55.4	-178.1	-176.4	-119.9	0	0	0	111.9	I314 M316 Y319 E324 V325 S326 G342 Q343 L344 F358 V368 L372	I314-F328 HydrophobicContact CD1-CD2 4.42Å; I314-F328 HydrophobicContact CD1-CE2 3.79Å; I314-F328 HydrophobicContact CG2-CD2 4.4Å; I314-F328 HydrophobicContact CG2-CE2 4.14Å; M316-F328 HydrophobicContact CE-CE2 4.01Å; Y319-F328 HydrophobicContact CD1-CB 3.79Å; Y319-F328 HydrophobicContact CD1-CD2 4.45Å; Y319-F328 HydrophobicContact CD1-CG 4.44Å; Y319-F328 HydrophobicContact CE1-CB 3.57Å; Y319-F328 HydrophobicContact CE1-CD2 4.03Å; Y319-F328 HydrophobicContact CE1-CG 4.24Å; Y319-F328 HydrophobicContact CE2-CD2 4.21Å; Y319-F328 AromaticContact CZ-CD2 3.85Å; E324-F328 PolarHBondContact O-N 2.97Å; V325-F328 VanDerWaalsContact O-CB 3.23Å; V325-F328 WeakPolarHBondContact O-CB 3.3Å; V325-F328 PolarHBondContact O-N 2.88Å; S326-F328 VanDerWaalsContact C-N 3.29Å; S326-F328 PolarHBondContact O-N 3.49Å; F328-G342 CarbonylContact O-C 3.11Å; F328-G342 WeakPolarHBondContact O-CA 3.21Å; F328-Q343 PolarHBondContact O-N 3.29Å; F328-L344 HydrophobicContact CD2-CB 4.27Å; F328-L344 HydrophobicContact CE1-CD2 3.9Å; F328-L344 HydrophobicContact CE2-CB 3.98Å; F328-L344 HydrophobicContact CE2-CD2 4.01Å; F328-L344 HydrophobicContact CZ-CB 4.26Å; F328-L344 HydrophobicContact CZ-CD2 3.46Å; F328-L344 VanDerWaalsContact CZ-CD2 3.46Å; F328-L344 HydrophobicContact CZ-CG 4.41Å; F328-L344 PolarHBondContact O-N 2.94Å; F328-F358 HydrophobicContact CE2-CD1 4.45Å; F328-F358 AromaticContact CE2-CE1 3.9Å; F328-F358 HydrophobicContact CE2-CE1 3.9Å; F328-F358 HydrophobicContact CZ-CD1 4.37Å; F328-F358 AromaticContact CZ-CE1 3.64Å; F328-F358 HydrophobicContact CZ-CE1 3.64Å; F328-F358 HydrophobicContact CZ-CZ 4.26Å; F328-V368 HydrophobicContact CD1-CG1 3.97Å; F328-V368 HydrophobicContact CE1-CG1 3.8Å; F328-V368 HydrophobicContact CZ-CG1 4.19Å; F328-L372 HydrophobicContact CE1-CD2 4.06Å; F328-L372 HydrophobicContact CE1-CG 4.4Å; F328-L372 HydrophobicContact CZ-CD2 3.93Å
329	I	84.4	Confident	81.3	Confident	37 Å²	37	76.1 Å²	76.1	19%	0.19	41%	0.41	C	S	.	.	H	α-helix	trans	-95.7	-38	-176.8	-49.9	169.9	0	0	0	111.5	G342 T345 A371 L381 T382	I329-G342 WeakPolarHBondContact O-CA 3.45Å; I329-G342 PolarHBondContact O-N 2.93Å; I329-T345 HydrophobicContact CG2-CG2 4.17Å; I329-T345 WeakPolarHBondContact O-CG2 3.39Å; I329-T345 PolarHBondContact O-OG1 3.45Å; I329-A371 HydrophobicContact CD1-CB 3.27Å; I329-A371 HydrophobicContact CG1-CB 4.28Å; I329-L381 HydrophobicContact CG2-CD1 4.26Å; I329-L381 HydrophobicContact CG2-CG 4.48Å; I329-T382 WeakPolarHBondContact CG2-O 3.35Å
330	G	83.9	Confident	80.3	Confident	12 Å²	12	82.2 Å²	82.2	12%	0.124	44%	0.438	C	S	.	.			trans	135.1	136	-173.8	0	0	0	0	0	111	S326 D383	S326-G330 CarbonylContact O-C 3.58Å; S326-G330 WeakPolarHBondContact O-CA 3.4Å; S326-G330 PolarHBondContact O-N 2.69Å; G330-D383 WeakPolarHBondContact CA-OD1 2.92Å
331	S	80.3	Confident	79.5	Confident	16 Å²	16	77.7 Å²	77.7	11%	0.112	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-66.6	142.7	175.6	-63.7	0	0	0	0	110.3	S326 H338	S326-S331 PolarHBondContact O-N 2.78Å; S326-S331 VanDerWaalsContact O-N 3.13Å; S331-H338 PolarHBondContact O-CD2 3.43Å
332	P	76.9	Confident	79.2	Confident	59 Å²	59	71.8 Å²	71.8	38%	0.383	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-65.4	163.4	175.4	24.8	-30.8	0	0	0	112	G334 Y335	P332-G334 PolarHBondContact O-N 3.29Å; P332-Y335 HydrophobicContact CG-CD2 3.68Å; P332-Y335 HydrophobicContact CG-CE2 3.87Å; P332-Y335 HydrophobicContact CG-CG 4.48Å; P332-Y335 PolarHBondContact O-N 3.43Å
333	P	75.2	Confident	79.4	Confident	93 Å²	93	69.1 Å²	69.1	60%	0.604	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	131.8	178.1	-24.3	33	0	0	0	111.9	H338	P333-H338 VanDerWaalsContact CA-CD2 3.45Å; P333-H338 WeakPolarHBondContact CA-CD2 3.21Å
334	G	79	Confident	79.8	Confident	84 Å²	84	61.4 Å²	61.4	87%	0.866	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	-5.4	179.6	0	0	0	0	0	115.8	P332	P332-G334 PolarHBondContact O-N 3.29Å
335	Y	77.8	Confident	80	Confident	159 Å²	159	58.6 Å²	58.6	62%	0.624	33%	0.333	S	S	*	.	S	Bend	trans	-99.6	150.9	175.2	-74.6	-100.2	0	0	0	112.4	P332 G337 H338	P332-Y335 HydrophobicContact CG-CD2 3.68Å; P332-Y335 HydrophobicContact CG-CE2 3.87Å; P332-Y335 HydrophobicContact CG-CG 4.48Å; P332-Y335 PolarHBondContact O-N 3.43Å; Y335-G337 PolarHBondContact O-N 2.99Å; Y335-H338 WeakPolarHBondContact O-CB 3.41Å; Y335-H338 PolarHBondContact O-N 2.89Å
336	V	70.5	Confident	80.2	Confident	149 Å²	149	64.1 Å²	64.1	90%	0.903	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	133	173.1	-176.2	0	0	0	0	109.1
337	G	68.9	Low	80.5	Confident	27 Å²	27	63.4 Å²	63.4	28%	0.278	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	1.2	-176.2	0	0	0	0	0	115.3	Y335 E339 E340	Y335-G337 PolarHBondContact O-N 2.99Å; G337-E339 PolarHBondContact O-N 3Å; G337-E340 PolarHBondContact O-N 3.21Å
338	H	63.9	Low	80.8	Confident	38 Å²	38	56.8 Å²	56.8	18%	0.176	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-35.8	171.5	173.9	-95.7	0	0	0	112.6	S331 P333 Y335 E340	S331-H338 PolarHBondContact O-CD2 3.43Å; P333-H338 VanDerWaalsContact CA-CD2 3.45Å; P333-H338 WeakPolarHBondContact CA-CD2 3.21Å; Y335-H338 WeakPolarHBondContact O-CB 3.41Å; Y335-H338 PolarHBondContact O-N 2.89Å; H338-E340 VanDerWaalsContact C-N 3.3Å; H338-E340 PolarHBondContact O-N 2.82Å
339	E	68.7	Low	80.9	Confident	136 Å²	136	59.6 Å²	59.6	64%	0.636	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-20.5	176.7	-68.4	-59.3	146.5	0	0	113.4	G337 R385	G337-E339 PolarHBondContact O-N 3Å; E339-R385 VanDerWaalsContact CA-NH2 3.35Å; E339-R385 PolarHBondContact O-NH2 3.33Å; E339-R385 IonicContact OE2-CZ 3.41Å; E339-R385 IonicContact OE2-NH2 3.16Å; E339-R385 PolarHBondContact OE2-NH2 2.68Å
340	E	72	Confident	81.1	Confident	134 Å²	134	61.2 Å²	61.2	63%	0.626	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-22.4	-177.7	-64.5	-174.5	179.5	0	0	112.6	G337 H338 R346	G337-E340 PolarHBondContact O-N 3.21Å; H338-E340 VanDerWaalsContact C-N 3.3Å; H338-E340 PolarHBondContact O-N 2.82Å; E340-R346 WeakPolarHBondContact O-CD 3.27Å; E340-R346 PolarHBondContact O-NE 2.8Å; E340-R346 PolarHBondContact O-NH1 2.9Å
341	G	76.7	Confident	81.5	Confident	8 Å²	8	61.5 Å²	61.5	8%	0.082	36%	0.362	C	S	.	.			trans	65.2	167.7	-170.9	0	0	0	0	0	112.7
342	G	86.2	Confident	82	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	38%	0.375	C	S	.	.			trans	-66.7	155.8	177	0	0	0	0	0	114.1	K327 F328 I329 T345 R346	K327-G342 WeakPolarHBondContact O-CA 3.18Å; F328-G342 CarbonylContact O-C 3.11Å; F328-G342 WeakPolarHBondContact O-CA 3.21Å; I329-G342 WeakPolarHBondContact O-CA 3.45Å; I329-G342 PolarHBondContact O-N 2.93Å; G342-T345 WeakPolarHBondContact CA-OG1 3.37Å; G342-T345 PolarHBondContact N-OG1 3.26Å; G342-T345 PolarHBondContact O-OG1 3.45Å; G342-R346 VanDerWaalsContact O-CB 3.29Å; G342-R346 WeakPolarHBondContact O-CB 3.49Å; G342-R346 VanDerWaalsContact O-CG 3.31Å; G342-R346 WeakPolarHBondContact O-CG 3.42Å; G342-R346 PolarHBondContact O-N 2.79Å; G342-R346 PolarHBondContact O-NE 3.12Å
343	Q	89.5	Confident	82.8	Confident	76 Å²	76	64.5 Å²	64.5	36%	0.355	38%	0.377	S	S	.	.	H	α-helix	trans	-64.3	-44.3	172	-178.3	167.6	-13.8	0	0	111.6	Y319 K327 F328 A347	Y319-Q343 VanDerWaalsContact OH-CD 3.24Å; Y319-Q343 PolarHBondContact OH-OE1 3.38Å; K327-Q343 PolarHBondContact O-N 3.18Å; F328-Q343 PolarHBondContact O-N 3.29Å; Q343-A347 VanDerWaalsContact O-CB 3.29Å; Q343-A347 WeakPolarHBondContact O-CB 3.36Å; Q343-A347 PolarHBondContact O-N 3.28Å
344	L	92.2	Very high	83.8	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-71.9	-45.5	179.3	179.9	62.1	0	0	0	111.4	I314 F328 A347 L348 V356 F358 L375 L381	I314-L344 HydrophobicContact CD1-CB 3.95Å; I314-L344 HydrophobicContact CD1-CD1 3.77Å; I314-L344 HydrophobicContact CD1-CG 4.4Å; F328-L344 HydrophobicContact CD2-CB 4.27Å; F328-L344 HydrophobicContact CE1-CD2 3.9Å; F328-L344 HydrophobicContact CE2-CB 3.98Å; F328-L344 HydrophobicContact CE2-CD2 4.01Å; F328-L344 HydrophobicContact CZ-CB 4.26Å; F328-L344 HydrophobicContact CZ-CD2 3.46Å; F328-L344 VanDerWaalsContact CZ-CD2 3.46Å; F328-L344 HydrophobicContact CZ-CG 4.41Å; F328-L344 PolarHBondContact O-N 2.94Å; L344-A347 PolarHBondContact O-N 3.26Å; L344-L348 HydrophobicContact CD1-CD1 3.6Å; L344-L348 HydrophobicContact CD1-CG 4Å; L344-L348 HydrophobicContact CD2-CD1 4.39Å; L344-L348 HydrophobicContact CG-CD1 3.77Å; L344-L348 HydrophobicContact CG-CG 4.48Å; L344-L348 WeakPolarHBondContact O-CB 3.46Å; L344-L348 PolarHBondContact O-N 3.03Å; L344-V356 HydrophobicContact CD1-CG1 3.91Å; L344-F358 HydrophobicContact CD1-CE1 4.27Å; L344-F358 HydrophobicContact CD1-CZ 4.31Å; L344-F358 HydrophobicContact CD2-CE1 4.2Å; L344-F358 HydrophobicContact CD2-CZ 4.04Å; L344-L375 HydrophobicContact CD2-CD2 4.03Å; L344-L381 HydrophobicContact CB-CD2 4.31Å; L344-L381 HydrophobicContact CD2-CD2 3.67Å; L344-L381 HydrophobicContact CG-CD2 3.74Å
345	T	90.2	Very high	84.7	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-46	-179.6	45.2	0	0	0	0	111.7	I329 G342 A347 L348 A349 L381 D383 I389	I329-T345 HydrophobicContact CG2-CG2 4.17Å; I329-T345 WeakPolarHBondContact O-CG2 3.39Å; I329-T345 PolarHBondContact O-OG1 3.45Å; G342-T345 WeakPolarHBondContact CA-OG1 3.37Å; G342-T345 PolarHBondContact N-OG1 3.26Å; G342-T345 PolarHBondContact O-OG1 3.45Å; T345-A347 PolarHBondContact O-N 3.11Å; T345-L348 PolarHBondContact O-N 2.78Å; T345-A349 VanDerWaalsContact O-CB 3.26Å; T345-A349 WeakPolarHBondContact O-CB 3.45Å; T345-A349 PolarHBondContact O-N 2.95Å; T345-L381 HydrophobicContact CG2-CB 4.5Å; T345-L381 HydrophobicContact CG2-CD2 3.38Å; T345-L381 HydrophobicContact CG2-CG 3.64Å; T345-D383 HydrophobicContact CG2-CB 3.97Å; T345-I389 HydrophobicContact CG2-CD1 4.38Å; T345-I389 WeakPolarHBondContact O-CD1 3.3Å
346	R	89.7	Confident	85.6	Confident	133 Å²	133	48.5 Å²	48.5	50%	0.502	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-43	175	-78.1	-173.2	-74.6	-178.8	-5	113.1	E340 G342 A349 A350	E340-R346 WeakPolarHBondContact O-CD 3.27Å; E340-R346 PolarHBondContact O-NE 2.8Å; E340-R346 PolarHBondContact O-NH1 2.9Å; G342-R346 VanDerWaalsContact O-CB 3.29Å; G342-R346 WeakPolarHBondContact O-CB 3.49Å; G342-R346 VanDerWaalsContact O-CG 3.31Å; G342-R346 WeakPolarHBondContact O-CG 3.42Å; G342-R346 PolarHBondContact O-N 2.79Å; G342-R346 PolarHBondContact O-NE 3.12Å; R346-A349 PolarHBondContact O-N 3.17Å; R346-A350 PolarHBondContact O-N 3.13Å; R346-A350 VanDerWaalsContact O-N 3.14Å
347	A	91.4	Very high	86.9	Confident	28 Å²	28	41.4 Å²	41.4	23%	0.231	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-43.9	-178.2	0	0	0	0	0	111.2	I312 Q343 L344 T345 A350 C351	I312-A347 HydrophobicContact CD1-CB 3.54Å; I312-A347 HydrophobicContact CG1-CB 3.96Å; I312-A347 HydrophobicContact CG2-CB 3.95Å; Q343-A347 VanDerWaalsContact O-CB 3.29Å; Q343-A347 WeakPolarHBondContact O-CB 3.36Å; Q343-A347 PolarHBondContact O-N 3.28Å; L344-A347 PolarHBondContact O-N 3.26Å; T345-A347 PolarHBondContact O-N 3.11Å; A347-A350 PolarHBondContact O-N 3.35Å; A347-C351 PolarHBondContact O-N 2.77Å; A347-C351 VanDerWaalsContact O-N 3.09Å
348	L	92.3	Very high	88.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.8	-32	175.6	-74	171.9	0	0	0	112.9	I312 L344 T345 A350 C351 P352 V356 L381 I389 C391 A394 F396	I312-L348 HydrophobicContact CD1-CD2 4.2Å; I312-L348 HydrophobicContact CD1-CG 4.41Å; L344-L348 HydrophobicContact CD1-CD1 3.6Å; L344-L348 HydrophobicContact CD1-CG 4Å; L344-L348 HydrophobicContact CD2-CD1 4.39Å; L344-L348 HydrophobicContact CG-CD1 3.77Å; L344-L348 HydrophobicContact CG-CG 4.48Å; L344-L348 WeakPolarHBondContact O-CB 3.46Å; L344-L348 PolarHBondContact O-N 3.03Å; T345-L348 PolarHBondContact O-N 2.78Å; L348-A350 PolarHBondContact O-N 3.26Å; L348-C351 CarbonylContact O-C 3.54Å; L348-C351 PolarHBondContact O-N 2.99Å; L348-P352 WeakPolarHBondContact O-CA 3.3Å; L348-P352 WeakPolarHBondContact O-CD 3.35Å; L348-P352 WeakPolarHBondContact O-CG 3.46Å; L348-V356 HydrophobicContact CD2-CG2 3.8Å; L348-V356 HydrophobicContact CG-CG2 4.49Å; L348-L381 HydrophobicContact CD1-CD2 4.3Å; L348-I389 HydrophobicContact CB-CG2 4.36Å; L348-C391 HydrophobicContact CD1-CB 4.45Å; L348-A394 HydrophobicContact CD2-CB 4.25Å; L348-F396 HydrophobicContact CD1-CE1 4.4Å; L348-F396 HydrophobicContact CD1-CZ 4.44Å
349	A	89.6	Confident	89.8	Confident	60 Å²	60	38.9 Å²	38.9	50%	0.496	22%	0.215	S	C	.	.	H	α-helix	trans	-62	-34.9	171.9	0	0	0	0	0	111.7	T345 R346 I389	T345-A349 VanDerWaalsContact O-CB 3.26Å; T345-A349 WeakPolarHBondContact O-CB 3.45Å; T345-A349 PolarHBondContact O-N 2.95Å; R346-A349 PolarHBondContact O-N 3.17Å; A349-I389 HydrophobicContact CB-CD1 3.81Å; A349-I389 HydrophobicContact CB-CG1 4.46Å
350	A	89.5	Confident	91	Very high	71 Å²	71	34.1 Å²	34.1	59%	0.587	19%	0.193	S	C	*	.	H	α-helix	trans	-76.5	-31.8	176.3	0	0	0	0	0	113.2	R346 A347 L348	R346-A350 PolarHBondContact O-N 3.13Å; R346-A350 VanDerWaalsContact O-N 3.14Å; A347-A350 PolarHBondContact O-N 3.35Å; L348-A350 PolarHBondContact O-N 3.26Å
351	C	91	Very high	92.1	Very high	18 Å²	18	27.8 Å²	27.8	12%	0.122	16%	0.163	C	C	.	.			trans	-146	87.9	177.8	-160.4	0	0	0	0	110.9	A347 L348 N353 A354	A347-C351 PolarHBondContact O-N 2.77Å; A347-C351 VanDerWaalsContact O-N 3.09Å; L348-C351 CarbonylContact O-C 3.54Å; L348-C351 PolarHBondContact O-N 2.99Å; C351-N353 PolarHBondContact O-N 2.92Å; C351-N353 PolarHBondContact SG-OD1 3.24Å; C351-A354 HydrophobicContact CB-CB 3.97Å; C351-A354 VanDerWaalsContact O-CB 3.27Å; C351-A354 WeakPolarHBondContact O-CB 3.46Å; C351-A354 PolarHBondContact O-N 3.39Å; C351-A354 VanDerWaalsContact O-N 3.17Å
352	P	92	Very high	92.8	Very high	59 Å²	59	29.6 Å²	29.6	38%	0.383	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.2	-174.3	-25	34.5	0	0	0	115.1	L348 A394	L348-P352 WeakPolarHBondContact O-CA 3.3Å; L348-P352 WeakPolarHBondContact O-CD 3.35Å; L348-P352 WeakPolarHBondContact O-CG 3.46Å; P352-A394 WeakPolarHBondContact O-CB 3.5Å; P352-A394 PolarHBondContact O-N 3.26Å
353	N	92.8	Very high	93.2	Very high	80 Å²	80	33.8 Å²	33.8	43%	0.428	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	17.9	178.8	66	-18.1	0	0	0	113.2	H304 C351 D393	H304-N353 PolarHBondContact CE1-O 3.24Å; H304-N353 PolarHBondContact NE2-O 2.89Å; C351-N353 PolarHBondContact O-N 2.92Å; C351-N353 PolarHBondContact SG-OD1 3.24Å; N353-D393 HydrophobicContact CB-CB 3.85Å
354	A	95.6	Very high	93.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.			trans	-65.8	159	-178.3	0	0	0	0	0	113.3	I312 C351 A394 I395	I312-A354 HydrophobicContact CD1-CB 3.63Å; I312-A354 HydrophobicContact CG1-CB 4.14Å; C351-A354 HydrophobicContact CB-CB 3.97Å; C351-A354 VanDerWaalsContact O-CB 3.27Å; C351-A354 WeakPolarHBondContact O-CB 3.46Å; C351-A354 PolarHBondContact O-N 3.39Å; C351-A354 VanDerWaalsContact O-N 3.17Å; A354-A394 WeakPolarHBondContact O-CA 3.41Å; A354-I395 PolarHBondContact O-N 3.4Å
355	V	97.5	Very high	93.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116	164.2	-177.7	0	0	0	0	108.6	V299 A300 L303 G310 F311 I312 I395 I397	V299-V355 HydrophobicContact CG1-CG2 4.23Å; A300-V355 HydrophobicContact CB-CB 3.68Å; A300-V355 HydrophobicContact CB-CG1 4.22Å; A300-V355 HydrophobicContact CB-CG2 3.79Å; L303-V355 HydrophobicContact CD1-CG2 3.95Å; G310-V355 PolarHBondContact O-N 2.96Å; F311-V355 WeakPolarHBondContact CA-O 3.43Å; F311-V355 HydrophobicContact CD2-CG1 4.49Å; I312-V355 PolarHBondContact N-O 3.04Å; V355-I395 CarbonylContact C-O 3.3Å; V355-I395 WeakPolarHBondContact CA-O 3.33Å; V355-I395 HydrophobicContact CG2-CB 4.35Å; V355-I397 HydrophobicContact CG1-CD1 3.77Å; V355-I397 HydrophobicContact CG1-CG1 4.42Å
356	V	97.7	Very high	93.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.7	-179	-175	0	0	0	0	109.5	I312 L344 L348 F358 I395 F396 I397	I312-V356 HydrophobicContact CB-CG1 4.48Å; I312-V356 HydrophobicContact CB-CG2 4.27Å; I312-V356 HydrophobicContact CD1-CG2 4.1Å; I312-V356 HydrophobicContact CG2-CG1 4.38Å; I312-V356 CarbonylContact O-C 3.55Å; I312-V356 WeakPolarHBondContact O-CA 3.39Å; L344-V356 HydrophobicContact CD1-CG1 3.91Å; L348-V356 HydrophobicContact CD2-CG2 3.8Å; L348-V356 HydrophobicContact CG-CG2 4.49Å; V356-F358 HydrophobicContact CG1-CD1 4.27Å; V356-F358 HydrophobicContact CG1-CE1 3.69Å; V356-F358 HydrophobicContact CG1-CE2 4.08Å; V356-F358 HydrophobicContact CG1-CZ 3.58Å; V356-I395 PolarHBondContact N-O 3.11Å; V356-F396 HydrophobicContact CB-CD1 3.69Å; V356-F396 HydrophobicContact CB-CE1 3.96Å; V356-F396 HydrophobicContact CG1-CD1 4.12Å; V356-F396 HydrophobicContact CG1-CE1 4.32Å; V356-F396 HydrophobicContact CG2-CD1 4.08Å; V356-F396 HydrophobicContact CG2-CE1 3.84Å; V356-F396 CarbonylContact O-C 3.59Å; V356-F396 WeakPolarHBondContact O-CA 3.42Å; V356-I397 PolarHBondContact O-N 3.44Å
357	L	98.1	Very high	93.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.4	175.1	-176.6	68.8	0	0	0	110.5	T293 A296 F311 I312 R313 I314 I397 T399	T293-L357 HydrophobicContact CG2-CD2 3.67Å; A296-L357 HydrophobicContact CB-CD1 3.75Å; A296-L357 HydrophobicContact CB-CD2 4.2Å; A296-L357 HydrophobicContact CB-CG 4.4Å; F311-L357 HydrophobicContact CE2-CB 3.93Å; F311-L357 HydrophobicContact CE2-CD2 4.4Å; F311-L357 HydrophobicContact CZ-CB 4.01Å; F311-L357 HydrophobicContact CZ-CD2 3.89Å; I312-L357 PolarHBondContact O-N 3.16Å; R313-L357 HydrophobicContact CG-CD2 4.17Å; I314-L357 PolarHBondContact N-O 2.85Å; L357-I397 CarbonylContact C-O 3.55Å; L357-I397 VanDerWaalsContact CA-O 3.27Å; L357-I397 WeakPolarHBondContact CA-O 3.5Å; L357-I397 HydrophobicContact CD1-CB 3.91Å; L357-I397 HydrophobicContact CD1-CG2 3.6Å; L357-T399 HydrophobicContact CD1-CG2 3.5Å; L357-T399 HydrophobicContact CG-CG2 4.38Å
358	F	97.3	Very high	93.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	100.5	166.5	-56.3	-61.4	0	0	0	108.8	I314 M316 F328 L344 V356 T361 L372 F376 F396 I397 M398 T399	I314-F358 HydrophobicContact CB-CD1 4.23Å; I314-F358 HydrophobicContact CD1-CE1 4.1Å; I314-F358 WeakPolarHBondContact O-CA 3.27Å; M316-F358 HydrophobicContact CE-CB 4.41Å; M316-F358 HydrophobicContact CE-CD1 3.69Å; M316-F358 HydrophobicContact CE-CE1 4.5Å; M316-F358 HydrophobicContact CE-CG 4.48Å; M316-F358 HydrophobicContact CG-CB 4.03Å; M316-F358 HydrophobicContact SD-CB 4.15Å; M316-F358 HydrophobicContact SD-CD1 4.09Å; M316-F358 HydrophobicContact SD-CG 4.43Å; F328-F358 HydrophobicContact CE2-CD1 4.45Å; F328-F358 AromaticContact CE2-CE1 3.9Å; F328-F358 HydrophobicContact CE2-CE1 3.9Å; F328-F358 HydrophobicContact CZ-CD1 4.37Å; F328-F358 AromaticContact CZ-CE1 3.64Å; F328-F358 HydrophobicContact CZ-CE1 3.64Å; F328-F358 HydrophobicContact CZ-CZ 4.26Å; L344-F358 HydrophobicContact CD1-CE1 4.27Å; L344-F358 HydrophobicContact CD1-CZ 4.31Å; L344-F358 HydrophobicContact CD2-CE1 4.2Å; L344-F358 HydrophobicContact CD2-CZ 4.04Å; V356-F358 HydrophobicContact CG1-CD1 4.27Å; V356-F358 HydrophobicContact CG1-CE1 3.69Å; V356-F358 HydrophobicContact CG1-CE2 4.08Å; V356-F358 HydrophobicContact CG1-CZ 3.58Å; F358-T361 PolarHBondContact O-OG1 3.19Å; F358-T361 VanDerWaalsContact O-OG1 3.05Å; F358-L372 HydrophobicContact CD2-CD1 4.31Å; F358-L372 HydrophobicContact CD2-CD2 4.41Å; F358-L372 HydrophobicContact CE1-CD2 4.08Å; F358-L372 HydrophobicContact CE2-CD1 4.31Å; F358-L372 HydrophobicContact CE2-CD2 3.63Å; F358-L372 HydrophobicContact CZ-CD2 3.44Å; F358-L372 VanDerWaalsContact CZ-CD2 3.44Å; F358-F376 HydrophobicContact CE2-CE1 4.29Å; F358-F376 HydrophobicContact CE2-CZ 4.12Å; F358-F396 HydrophobicContact CE2-CB 4.36Å; F358-F396 AromaticContact CE2-CD1 3.54Å; F358-F396 HydrophobicContact CE2-CD1 3.54Å; F358-F396 HydrophobicContact CE2-CE1 4.3Å; F358-F396 HydrophobicContact CE2-CG 4.33Å; F358-F396 AromaticContact CZ-CD1 3.9Å; F358-F396 HydrophobicContact CZ-CD1 3.9Å; F358-F396 HydrophobicContact CZ-CE1 4.24Å; F358-I397 PolarHBondContact N-O 2.82Å; F358-M398 HydrophobicContact CB-CG 4.14Å; F358-M398 HydrophobicContact CD2-CG 3.91Å; F358-M398 CarbonylContact O-C 2.97Å; F358-M398 WeakPolarHBondContact O-CA 3.49Å; F358-T399 PolarHBondContact O-N 3.34Å
359	D	96	Very high	93.2	Very high	11 Å²	11	31.6 Å²	31.6	6%	0.059	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138.7	-177.3	-142.5	2.1	0	0	0	110.5	R313 I314 M316 T361 T399	R313-D359 IonicContact CZ-OD2 2.67Å; R313-D359 IonicContact NE-OD2 3.85Å; R313-D359 PolarHBondContact NE-OD2 2.82Å; R313-D359 IonicContact NH2-OD2 3.72Å; R313-D359 PolarHBondContact NH2-OD2 2.88Å; I314-D359 PolarHBondContact O-N 2.92Å; M316-D359 WeakPolarHBondContact CB-O 3.39Å; M316-D359 VanDerWaalsContact CG-O 3.3Å; M316-D359 WeakPolarHBondContact CG-O 3.26Å; M316-D359 PolarHBondContact N-O 3.34Å; D359-T361 PolarHBondContact O-N 3.45Å; D359-T399 WeakPolarHBondContact CA-OG1 3.42Å; D359-T399 PolarHBondContact OD1-OG1 3.34Å
360	E	94.9	Very high	93.2	Very high	37 Å²	37	31.2 Å²	31.2	17%	0.173	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	47.2	177.5	-52.8	-167.3	148.1	0	0	114.1	S317 E362 K363 T399	S317-E360 PolarHBondContact OG-OE2 2.73Å; E360-E362 PolarHBondContact O-N 2.99Å; E360-K363 HydrophobicContact CB-CD 4.12Å; E360-K363 WeakPolarHBondContact O-CB 3.25Å; E360-K363 PolarHBondContact O-N 3.28Å; E360-K363 IonicContact OE1-NZ 3.96Å; E360-K363 WeakPolarHBondContact OE2-CE 3.48Å; E360-K363 IonicContact OE2-NZ 3.88Å; E360-K363 PolarHBondContact OE2-NZ 3.04Å; E360-T399 PolarHBondContact N-O 3.05Å; E360-T399 PolarHBondContact N-OG1 3.14Å
361	T	94.3	Very high	93.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-59	-25.1	-171.2	-48.6	0	0	0	0	114.2	F358 D359 K363 A364 L369 M398 T399 F444	F358-T361 PolarHBondContact O-OG1 3.19Å; F358-T361 VanDerWaalsContact O-OG1 3.05Å; D359-T361 PolarHBondContact O-N 3.45Å; T361-K363 PolarHBondContact O-N 3.48Å; T361-A364 WeakPolarHBondContact O-CB 3.44Å; T361-A364 PolarHBondContact O-N 3.29Å; T361-A364 VanDerWaalsContact O-N 3.15Å; T361-L369 HydrophobicContact CG2-CD2 3.8Å; T361-M398 HydrophobicContact CG2-CG 4.33Å; T361-M398 HydrophobicContact CG2-SD 3.97Å; T361-M398 WeakPolarHBondContact OG1-CB 3.45Å; T361-T399 PolarHBondContact N-O 2.94Å; T361-T399 PolarHBondContact OG1-O 3.29Å; T361-F444 HydrophobicContact CG2-CE1 3.91Å
362	E	92.2	Very high	93.2	Very high	46 Å²	46	27.9 Å²	27.9	22%	0.215	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-63.2	-18.3	174.5	67.7	-86.4	-154.5	0	0	114.5	E360 S400 N401 V402	E360-E362 PolarHBondContact O-N 2.99Å; E362-S400 WeakPolarHBondContact OE2-CA 3.3Å; E362-S400 WeakPolarHBondContact OE2-CB 3.34Å; E362-S400 PolarHBondContact OE2-OG 3.4Å; E362-N401 PolarHBondContact OE1-N 3.44Å; E362-V402 HydrophobicContact CB-CG2 3.56Å; E362-V402 HydrophobicContact CG-CG2 3.83Å
363	K	93	Very high	93.1	Very high	89 Å²	89	25.8 Å²	25.8	39%	0.387	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-91.2	-8.7	178	-62.3	179.5	180	175.8	0	112.8	S317 Q320 E360 T361	S317-K363 WeakPolarHBondContact OG-CD 3.3Å; Q320-K363 WeakPolarHBondContact CG-O 3.4Å; E360-K363 HydrophobicContact CB-CD 4.12Å; E360-K363 WeakPolarHBondContact O-CB 3.25Å; E360-K363 PolarHBondContact O-N 3.28Å; E360-K363 IonicContact OE1-NZ 3.96Å; E360-K363 WeakPolarHBondContact OE2-CE 3.48Å; E360-K363 IonicContact OE2-NZ 3.88Å; E360-K363 PolarHBondContact OE2-NZ 3.04Å; T361-K363 PolarHBondContact O-N 3.48Å
364	A	92.7	Very high	92.8	Very high	11 Å²	11	26.3 Å²	26.3	9%	0.091	14%	0.138	C	C	.	.	S	Bend	trans	-64.1	145.8	-179.2	0	0	0	0	0	111.6	M316 T361 V368 L369	M316-A364 HydrophobicContact CB-CB 3.98Å; M316-A364 HydrophobicContact CG-CB 4.37Å; M316-A364 HydrophobicContact SD-CB 4.2Å; T361-A364 WeakPolarHBondContact O-CB 3.44Å; T361-A364 PolarHBondContact O-N 3.29Å; T361-A364 VanDerWaalsContact O-N 3.15Å; A364-V368 HydrophobicContact CB-CB 4.25Å; A364-V368 HydrophobicContact CB-CG1 4.36Å; A364-L369 HydrophobicContact CB-CD2 4.11Å; A364-L369 HydrophobicContact CB-CG 4.36Å
365	H	92.4	Very high	92.6	Very high	42 Å²	42	26.3 Å²	26.3	19%	0.194	14%	0.138	C	C	.	.			trans	-60.8	143.5	168.9	-172.5	-91.2	0	0	0	111.1	Y319 Q320 V325 D367 V368 L369	Y319-H365 VanDerWaalsContact O-CB 3.24Å; Y319-H365 WeakPolarHBondContact O-CB 3.23Å; Y319-H365 PolarHBondContact O-N 2.88Å; Q320-H365 PolarHBondContact O-CD2 2.84Å; V325-H365 HydrophobicContact CG2-CB 3.99Å; H365-D367 VanDerWaalsContact CE1-CG 3.44Å; H365-D367 IonicContact CE1-OD1 3.64Å; H365-D367 IonicContact CE1-OD2 3.77Å; H365-D367 PolarHBondContact CE1-OD2 3.02Å; H365-D367 VanDerWaalsContact CE1-OD2 3.31Å; H365-D367 WeakPolarHBondContact ND1-CB 3.46Å; H365-D367 PolarHBondContact ND1-N 3Å; H365-D367 VanDerWaalsContact ND1-N 3.16Å; H365-D367 IonicContact ND1-OD2 2.67Å; H365-D367 PolarHBondContact O-N 3.42Å; H365-D367 VanDerWaalsContact O-N 3.07Å; H365-V368 HydrophobicContact CB-CG2 4.25Å; H365-V368 WeakPolarHBondContact O-CB 3.39Å; H365-V368 PolarHBondContact O-N 2.85Å; H365-L369 PolarHBondContact O-N 3.08Å
366	P	90.6	Very high	92.4	Very high	56 Å²	56	26.5 Å²	26.5	36%	0.364	14%	0.139	S	C	.	.	H	α-helix	trans	-55.4	-29	-179.2	-29	35.9	0	0	0	115.6	L369 T370	P366-L369 PolarHBondContact O-N 3.2Å; P366-T370 PolarHBondContact O-N 3.17Å; P366-T370 PolarHBondContact O-OG1 3.47Å
367	D	89.2	Confident	92.1	Very high	68 Å²	68	28.6 Å²	28.6	36%	0.364	15%	0.15	S	C	.	.	H	α-helix	trans	-68.8	-32.9	175.9	-65.8	-9.9	0	0	0	112	V325 H365 T370 A371	V325-D367 HydrophobicContact CG1-CB 4.11Å; V325-D367 HydrophobicContact CG2-CB 4.39Å; H365-D367 VanDerWaalsContact CE1-CG 3.44Å; H365-D367 IonicContact CE1-OD1 3.64Å; H365-D367 IonicContact CE1-OD2 3.77Å; H365-D367 PolarHBondContact CE1-OD2 3.02Å; H365-D367 VanDerWaalsContact CE1-OD2 3.31Å; H365-D367 WeakPolarHBondContact ND1-CB 3.46Å; H365-D367 PolarHBondContact ND1-N 3Å; H365-D367 VanDerWaalsContact ND1-N 3.16Å; H365-D367 IonicContact ND1-OD2 2.67Å; H365-D367 PolarHBondContact O-N 3.42Å; H365-D367 VanDerWaalsContact O-N 3.07Å; D367-T370 PolarHBondContact O-N 2.91Å; D367-A371 PolarHBondContact O-N 2.67Å
368	V	91.3	Very high	91.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-46.5	173.2	-179.4	0	0	0	0	109.7	M316 V325 F328 A364 H365 T370 A371 L372	M316-V368 HydrophobicContact SD-CG1 4.12Å; V325-V368 HydrophobicContact CB-CG2 4.22Å; V325-V368 HydrophobicContact CG1-CG2 3.91Å; V325-V368 HydrophobicContact CG2-CG2 3.66Å; F328-V368 HydrophobicContact CD1-CG1 3.97Å; F328-V368 HydrophobicContact CE1-CG1 3.8Å; F328-V368 HydrophobicContact CZ-CG1 4.19Å; A364-V368 HydrophobicContact CB-CB 4.25Å; A364-V368 HydrophobicContact CB-CG1 4.36Å; H365-V368 HydrophobicContact CB-CG2 4.25Å; H365-V368 WeakPolarHBondContact O-CB 3.39Å; H365-V368 PolarHBondContact O-N 2.85Å; V368-T370 PolarHBondContact O-N 2.84Å; V368-A371 WeakPolarHBondContact O-CB 3.31Å; V368-A371 PolarHBondContact O-N 2.87Å; V368-A371 VanDerWaalsContact O-N 3.14Å; V368-L372 HydrophobicContact CG1-CD1 4.38Å; V368-L372 WeakPolarHBondContact O-CG 3.32Å; V368-L372 PolarHBondContact O-N 2.95Å
369	L	90.6	Very high	91.4	Very high	15 Å²	15	33.5 Å²	33.5	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-38	176.9	-59.9	179.6	0	0	0	111.3	T361 A364 H365 P366 L372 L373 F444 F449	T361-L369 HydrophobicContact CG2-CD2 3.8Å; A364-L369 HydrophobicContact CB-CD2 4.11Å; A364-L369 HydrophobicContact CB-CG 4.36Å; H365-L369 PolarHBondContact O-N 3.08Å; P366-L369 PolarHBondContact O-N 3.2Å; L369-L372 PolarHBondContact O-N 3.34Å; L369-L373 WeakPolarHBondContact O-CG 3.45Å; L369-L373 PolarHBondContact O-N 2.71Å; L369-F444 HydrophobicContact CD1-CD1 4.41Å; L369-F449 HydrophobicContact CB-CE2 4.33Å; L369-F449 HydrophobicContact CD2-CE2 4.18Å; L369-F449 HydrophobicContact CD2-CZ 4.02Å
370	T	87.9	Confident	91.2	Very high	53 Å²	53	39 Å²	39	33%	0.325	19%	0.193	S	C	.	.	H	α-helix	trans	-65.5	-38.7	176.4	-56.7	0	0	0	0	112.1	P366 D367 V368 L373 Q374 R446	P366-T370 PolarHBondContact O-N 3.17Å; P366-T370 PolarHBondContact O-OG1 3.47Å; D367-T370 PolarHBondContact O-N 2.91Å; V368-T370 PolarHBondContact O-N 2.84Å; T370-L373 WeakPolarHBondContact O-CB 3.48Å; T370-L373 PolarHBondContact O-N 2.85Å; T370-Q374 PolarHBondContact O-N 2.86Å; T370-R446 PolarHBondContact OG1-NH1 3.41Å; T370-R446 PolarHBondContact OG1-NH2 3.38Å
371	A	88.8	Confident	90.9	Very high	17 Å²	17	37.8 Å²	37.8	14%	0.14	19%	0.188	C	C	.	.	H	α-helix	trans	-68.1	-37.6	173.3	0	0	0	0	0	113	I329 D367 V368 L373 Q374 L375	I329-A371 HydrophobicContact CD1-CB 3.27Å; I329-A371 HydrophobicContact CG1-CB 4.28Å; D367-A371 PolarHBondContact O-N 2.67Å; V368-A371 WeakPolarHBondContact O-CB 3.31Å; V368-A371 PolarHBondContact O-N 2.87Å; V368-A371 VanDerWaalsContact O-N 3.14Å; A371-L373 VanDerWaalsContact C-N 3.32Å; A371-L373 PolarHBondContact O-N 3.2Å; A371-Q374 PolarHBondContact O-N 3.45Å; A371-L375 PolarHBondContact O-N 3.05Å; A371-L375 VanDerWaalsContact O-N 3.11Å
372	L	92.1	Very high	90.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-34.9	175.3	-70.8	-179.4	0	0	0	112.3	F328 F358 V368 L369 L375 F376 F449	F328-L372 HydrophobicContact CE1-CD2 4.06Å; F328-L372 HydrophobicContact CE1-CG 4.4Å; F328-L372 HydrophobicContact CZ-CD2 3.93Å; F358-L372 HydrophobicContact CD2-CD1 4.31Å; F358-L372 HydrophobicContact CD2-CD2 4.41Å; F358-L372 HydrophobicContact CE1-CD2 4.08Å; F358-L372 HydrophobicContact CE2-CD1 4.31Å; F358-L372 HydrophobicContact CE2-CD2 3.63Å; F358-L372 HydrophobicContact CZ-CD2 3.44Å; F358-L372 VanDerWaalsContact CZ-CD2 3.44Å; V368-L372 HydrophobicContact CG1-CD1 4.38Å; V368-L372 WeakPolarHBondContact O-CG 3.32Å; V368-L372 PolarHBondContact O-N 2.95Å; L369-L372 PolarHBondContact O-N 3.34Å; L372-L375 HydrophobicContact CD2-CD2 4.11Å; L372-L375 WeakPolarHBondContact O-CB 3.37Å; L372-L375 PolarHBondContact O-N 3.37Å; L372-F376 HydrophobicContact CB-CE2 3.98Å; L372-F376 HydrophobicContact CB-CZ 4.04Å; L372-F376 HydrophobicContact CD1-CZ 4.48Å; L372-F376 HydrophobicContact CD2-CE1 4.43Å; L372-F376 HydrophobicContact CD2-CZ 4.2Å; L372-F376 HydrophobicContact CG-CZ 4.48Å; L372-F376 WeakPolarHBondContact O-CB 3.31Å; L372-F376 VanDerWaalsContact O-CD2 3.3Å; L372-F376 WeakPolarHBondContact O-CD2 3.27Å; L372-F376 WeakPolarHBondContact O-CG 3.45Å; L372-F376 PolarHBondContact O-N 2.98Å; L372-F449 HydrophobicContact CB-CE2 4.13Å
373	L	89.4	Confident	90	Very high	16 Å²	16	39.7 Å²	39.7	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-54	-54.8	171.1	-74.3	171.5	0	0	0	110.9	L369 T370 A371 L375 F376 D377 F449 R452	L369-L373 WeakPolarHBondContact O-CG 3.45Å; L369-L373 PolarHBondContact O-N 2.71Å; T370-L373 WeakPolarHBondContact O-CB 3.48Å; T370-L373 PolarHBondContact O-N 2.85Å; A371-L373 VanDerWaalsContact C-N 3.32Å; A371-L373 PolarHBondContact O-N 3.2Å; L373-L375 PolarHBondContact O-N 2.92Å; L373-F376 PolarHBondContact O-N 3.04Å; L373-F376 VanDerWaalsContact O-N 3.12Å; L373-D377 WeakPolarHBondContact O-CB 3.23Å; L373-D377 PolarHBondContact O-N 2.96Å; L373-D377 VanDerWaalsContact O-OD1 3.1Å; L373-F449 HydrophobicContact CD2-CB 3.76Å; L373-F449 HydrophobicContact CD2-CD2 3.52Å; L373-F449 HydrophobicContact CD2-CG 4.07Å; L373-F449 HydrophobicContact CG-CD2 3.78Å; L373-R452 HydrophobicContact CD2-CG 4.48Å
374	Q	87	Confident	89.2	Confident	90 Å²	90	36.6 Å²	36.6	42%	0.421	20%	0.195	S	C	.	.	H	α-helix	trans	-58.9	-40	-179.3	-172.7	-178.8	-3.7	0	0	111.6	T370 A371 D377 E378	T370-Q374 PolarHBondContact O-N 2.86Å; A371-Q374 PolarHBondContact O-N 3.45Å; Q374-D377 PolarHBondContact O-N 2.82Å; Q374-E378 HydrophobicContact CG-CG 4.3Å; Q374-E378 PolarHBondContact NE2-OE2 2.78Å; Q374-E378 WeakPolarHBondContact O-CB 3.5Å; Q374-E378 PolarHBondContact O-N 2.74Å
375	L	92.2	Very high	88.4	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-44.2	176.4	176.4	57.1	0	0	0	112.6	L344 A371 L372 L373 D377 G379 L381 C391 F396	L344-L375 HydrophobicContact CD2-CD2 4.03Å; A371-L375 PolarHBondContact O-N 3.05Å; A371-L375 VanDerWaalsContact O-N 3.11Å; L372-L375 HydrophobicContact CD2-CD2 4.11Å; L372-L375 WeakPolarHBondContact O-CB 3.37Å; L372-L375 PolarHBondContact O-N 3.37Å; L373-L375 PolarHBondContact O-N 2.92Å; L375-D377 VanDerWaalsContact C-N 3.29Å; L375-G379 VanDerWaalsContact O-CA 3.22Å; L375-G379 WeakPolarHBondContact O-CA 3.5Å; L375-G379 PolarHBondContact O-N 3.5Å; L375-L381 HydrophobicContact CD1-CB 4.06Å; L375-C391 HydrophobicContact CD1-CB 3.95Å; L375-F396 HydrophobicContact CD1-CZ 4.07Å; L375-F396 HydrophobicContact CD2-CD1 4.45Å; L375-F396 HydrophobicContact CD2-CE1 3.66Å; L375-F396 HydrophobicContact CD2-CE2 4.46Å; L375-F396 HydrophobicContact CD2-CZ 3.67Å; L375-F396 HydrophobicContact CG-CE1 4.39Å; L375-F396 HydrophobicContact CG-CE2 4.34Å; L375-F396 HydrophobicContact CG-CZ 3.93Å
376	F	93	Very high	87.9	Confident	3 Å²	3	42.6 Å²	42.6	1%	0.013	23%	0.232	C	C	.	.	H	α-helix	trans	-72.8	-24.8	179.6	-57.9	-21.6	0	0	0	112.2	H278 V281 F358 L372 L373 F396 M398 F449 R452	H278-F376 PolarHBondContact CD2-O 3.41Å; V281-F376 HydrophobicContact CG1-CD2 4.07Å; V281-F376 HydrophobicContact CG1-CE1 4.34Å; V281-F376 HydrophobicContact CG1-CE2 3.87Å; V281-F376 HydrophobicContact CG1-CG 4.39Å; V281-F376 HydrophobicContact CG1-CZ 4.02Å; V281-F376 HydrophobicContact CG2-CB 4.09Å; V281-F376 HydrophobicContact CG2-CD1 3.56Å; V281-F376 HydrophobicContact CG2-CD2 4.18Å; V281-F376 HydrophobicContact CG2-CE1 4.01Å; V281-F376 HydrophobicContact CG2-CG 3.67Å; V281-F376 HydrophobicContact CG2-CZ 4.48Å; F358-F376 HydrophobicContact CE2-CE1 4.29Å; F358-F376 HydrophobicContact CE2-CZ 4.12Å; L372-F376 HydrophobicContact CB-CE2 3.98Å; L372-F376 HydrophobicContact CB-CZ 4.04Å; L372-F376 HydrophobicContact CD1-CZ 4.48Å; L372-F376 HydrophobicContact CD2-CE1 4.43Å; L372-F376 HydrophobicContact CD2-CZ 4.2Å; L372-F376 HydrophobicContact CG-CZ 4.48Å; L372-F376 WeakPolarHBondContact O-CB 3.31Å; L372-F376 VanDerWaalsContact O-CD2 3.3Å; L372-F376 WeakPolarHBondContact O-CD2 3.27Å; L372-F376 WeakPolarHBondContact O-CG 3.45Å; L372-F376 PolarHBondContact O-N 2.98Å; L373-F376 PolarHBondContact O-N 3.04Å; L373-F376 VanDerWaalsContact O-N 3.12Å; F376-F396 HydrophobicContact CD1-CD2 4.09Å; F376-F396 HydrophobicContact CD1-CG 4.27Å; F376-F396 HydrophobicContact CE1-CB 3.76Å; F376-F396 HydrophobicContact CE1-CD1 4.01Å; F376-F396 AromaticContact CE1-CD2 3.89Å; F376-F396 HydrophobicContact CE1-CD2 3.89Å; F376-F396 AromaticContact CE1-CG 3.6Å; F376-F396 HydrophobicContact CE1-CG 3.6Å; F376-F396 HydrophobicContact CZ-CB 4.28Å; F376-M398 HydrophobicContact CE2-CE 4.1Å; F376-M398 HydrophobicContact CE2-SD 3.97Å; F376-M398 HydrophobicContact CZ-SD 4.12Å; F376-F449 HydrophobicContact CE2-CE2 4.1Å; F376-F449 HydrophobicContact CE2-CZ 4.11Å; F376-R452 HydrophobicContact CB-CB 4.11Å
377	D	90.3	Very high	87.5	Confident	45 Å²	45	44 Å²	44	24%	0.241	24%	0.239	C	C	.	.	H	α-helix	trans	-83.9	-44.1	-179.8	-69.8	5.6	0	0	0	113	H278 L373 Q374 L375 R452	H278-D377 PolarHBondContact CD2-O 2.84Å; H278-D377 PolarHBondContact NE2-O 3.12Å; H278-D377 VanDerWaalsContact NE2-O 3.1Å; L373-D377 WeakPolarHBondContact O-CB 3.23Å; L373-D377 PolarHBondContact O-N 2.96Å; L373-D377 VanDerWaalsContact O-OD1 3.1Å; Q374-D377 PolarHBondContact O-N 2.82Å; L375-D377 VanDerWaalsContact C-N 3.29Å; D377-R452 VanDerWaalsContact CG-NH1 3.32Å; D377-R452 WeakPolarHBondContact OD1-CD 3.34Å; D377-R452 WeakPolarHBondContact OD1-CG 3.45Å; D377-R452 IonicContact OD1-CZ 2.71Å; D377-R452 IonicContact OD1-NE 3.8Å; D377-R452 PolarHBondContact OD1-NE 3.11Å; D377-R452 IonicContact OD1-NH1 3.66Å; D377-R452 PolarHBondContact OD1-NH1 3.08Å; D377-R452 VanDerWaalsContact OD1-NH1 3.07Å; D377-R452 IonicContact OD1-NH2 3.31Å; D377-R452 PolarHBondContact OD1-NH2 3.46Å; D377-R452 IonicContact OD2-CZ 2.64Å; D377-R452 IonicContact OD2-NE 3.01Å; D377-R452 PolarHBondContact OD2-NE 3.14Å; D377-R452 IonicContact OD2-NH1 2.75Å; D377-R452 IonicContact OD2-NH2 3.52Å; D377-R452 PolarHBondContact OD2-NH2 2.92Å
378	E	90.4	Very high	87.5	Confident	102 Å²	102	44.5 Å²	44.5	48%	0.477	25%	0.245	S	C	.	.	H	α-helix	trans	-100.1	-12.8	-173.7	-61.4	179.4	170.9	0	0	112.2	Q374 R380	Q374-E378 HydrophobicContact CG-CG 4.3Å; Q374-E378 PolarHBondContact NE2-OE2 2.78Å; Q374-E378 WeakPolarHBondContact O-CB 3.5Å; Q374-E378 PolarHBondContact O-N 2.74Å; E378-R380 HydrophobicContact CB-CB 4.4Å; E378-R380 WeakPolarHBondContact O-CG 3.38Å; E378-R380 PolarHBondContact O-N 3.07Å
379	G	91.2	Very high	87.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	59.9	24.6	-171.2	0	0	0	0	0	112.5	L375 N390 C391 K392	L375-G379 VanDerWaalsContact O-CA 3.22Å; L375-G379 WeakPolarHBondContact O-CA 3.5Å; L375-G379 PolarHBondContact O-N 3.5Å; G379-N390 PolarHBondContact O-OD1 3.5Å; G379-C391 CarbonylContact O-C 3.57Å; G379-C391 WeakPolarHBondContact O-CA 3.44Å; G379-C391 PolarHBondContact O-N 3.33Å; G379-K392 PolarHBondContact O-N 3.33Å
380	R	91.6	Very high	87.6	Confident	127 Å²	127	48.5 Å²	48.5	48%	0.479	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.4	-174.9	-68	175.6	-174.9	-170.1	2.5	110.8	E378 T388 I389	E378-R380 HydrophobicContact CB-CB 4.4Å; E378-R380 WeakPolarHBondContact O-CG 3.38Å; E378-R380 PolarHBondContact O-N 3.07Å; R380-T388 HydrophobicContact CB-CG2 3.96Å; R380-T388 HydrophobicContact CG-CG2 4.28Å; R380-I389 VanDerWaalsContact CA-O 3.29Å; R380-I389 WeakPolarHBondContact CA-O 3.48Å
381	L	89.4	Confident	87.8	Confident	11 Å²	11	46 Å²	46	6%	0.058	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.7	174.8	-164.3	62	0	0	0	109.6	I329 L344 T345 L348 L375 I389	I329-L381 HydrophobicContact CG2-CD1 4.26Å; I329-L381 HydrophobicContact CG2-CG 4.48Å; L344-L381 HydrophobicContact CB-CD2 4.31Å; L344-L381 HydrophobicContact CD2-CD2 3.67Å; L344-L381 HydrophobicContact CG-CD2 3.74Å; T345-L381 HydrophobicContact CG2-CB 4.5Å; T345-L381 HydrophobicContact CG2-CD2 3.38Å; T345-L381 HydrophobicContact CG2-CG 3.64Å; L348-L381 HydrophobicContact CD1-CD2 4.3Å; L375-L381 HydrophobicContact CD1-CB 4.06Å; L381-I389 PolarHBondContact N-O 2.96Å; L381-I389 PolarHBondContact O-N 2.83Å
382	T	84.7	Confident	88	Confident	64 Å²	64	47 Å²	47	39%	0.393	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.1	175.5	52.9	0	0	0	0	110.1	I329 T387 T388	I329-T382 WeakPolarHBondContact CG2-O 3.35Å; T382-T387 WeakPolarHBondContact CA-O 3.1Å; T382-T388 HydrophobicContact CG2-CG2 3.91Å; T382-T388 WeakPolarHBondContact CG2-OG1 3.34Å
383	D	82.9	Confident	88	Confident	22 Å²	22	51 Å²	51	12%	0.118	27%	0.273	C	S	.	.			trans	-73	163.7	171.6	-171.2	14.2	0	0	0	110.9	G330 T345 R385 G386 T387	G330-D383 WeakPolarHBondContact CA-OD1 2.92Å; T345-D383 HydrophobicContact CG2-CB 3.97Å; D383-R385 PolarHBondContact O-N 2.9Å; D383-G386 PolarHBondContact O-N 2.64Å; D383-T387 PolarHBondContact N-O 3.01Å
384	G	75.8	Confident	88.3	Confident	24 Å²	24	50.2 Å²	50.2	25%	0.247	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.2	177.7	0	0	0	0	0	114.3	G386	G384-G386 VanDerWaalsContact C-N 3.3Å
385	R	76.4	Confident	88.7	Confident	123 Å²	123	46.2 Å²	46.2	46%	0.464	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.3	173.7	-62.5	174.1	173.7	-143	-2.5	114.2	E339 D383	E339-R385 VanDerWaalsContact CA-NH2 3.35Å; E339-R385 PolarHBondContact O-NH2 3.33Å; E339-R385 IonicContact OE2-CZ 3.41Å; E339-R385 IonicContact OE2-NH2 3.16Å; E339-R385 PolarHBondContact OE2-NH2 2.68Å; D383-R385 PolarHBondContact O-N 2.9Å
386	G	80.5	Confident	89	Confident	57 Å²	57	46.2 Å²	46.2	59%	0.588	25%	0.25	S	S	*	.	S	Bend	trans	84.3	6.1	-173.8	0	0	0	0	0	114.6	D383 G384 T388	D383-G386 PolarHBondContact O-N 2.64Å; G384-G386 VanDerWaalsContact C-N 3.3Å; G386-T388 PolarHBondContact O-N 2.86Å
387	T	83.5	Confident	89.2	Confident	86 Å²	86	46.1 Å²	46.1	53%	0.528	25%	0.25	S	S	.	.			trans	-76.2	118.6	174.3	-53.9	0	0	0	0	109.9	T382 D383	T382-T387 WeakPolarHBondContact CA-O 3.1Å; D383-T387 PolarHBondContact N-O 3.01Å
388	T	89.4	Confident	89.5	Confident	78 Å²	78	44 Å²	44	48%	0.479	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.9	175.9	-46.4	0	0	0	0	111	R380 T382 G386	R380-T388 HydrophobicContact CB-CG2 3.96Å; R380-T388 HydrophobicContact CG-CG2 4.28Å; T382-T388 HydrophobicContact CG2-CG2 3.91Å; T382-T388 WeakPolarHBondContact CG2-OG1 3.34Å; G386-T388 PolarHBondContact O-N 2.86Å
389	I	90.5	Very high	89.8	Confident	19 Å²	19	39.1 Å²	39.1	10%	0.097	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.4	176.3	-54.9	164	0	0	0	108.3	T345 L348 A349 R380 L381 C391	T345-I389 HydrophobicContact CG2-CD1 4.38Å; T345-I389 WeakPolarHBondContact O-CD1 3.3Å; L348-I389 HydrophobicContact CB-CG2 4.36Å; A349-I389 HydrophobicContact CB-CD1 3.81Å; A349-I389 HydrophobicContact CB-CG1 4.46Å; R380-I389 VanDerWaalsContact CA-O 3.29Å; R380-I389 WeakPolarHBondContact CA-O 3.48Å; L381-I389 PolarHBondContact N-O 2.96Å; L381-I389 PolarHBondContact O-N 2.83Å; I389-C391 PolarHBondContact O-SG 3.45Å; I389-C391 VanDerWaalsContact O-SG 3.42Å
390	N	92.3	Very high	90	Very high	80 Å²	80	39.1 Å²	39.1	43%	0.428	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.9	172.9	-175.6	6.8	0	0	0	109.9	G379 K392	G379-N390 PolarHBondContact O-OD1 3.5Å; N390-K392 WeakPolarHBondContact OD1-CB 3.12Å; N390-K392 WeakPolarHBondContact OD1-CD 3.4Å; N390-K392 VanDerWaalsContact OD1-CG 3.25Å; N390-K392 WeakPolarHBondContact OD1-CG 3.5Å; N390-K392 PolarHBondContact OD1-N 3.44Å
391	C	92.6	Very high	90.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.			trans	-121.8	14.1	-174.5	-51.2	0	0	0	0	112.3	L348 L375 G379 I389 D393 A394 F396	L348-C391 HydrophobicContact CD1-CB 4.45Å; L375-C391 HydrophobicContact CD1-CB 3.95Å; G379-C391 CarbonylContact O-C 3.57Å; G379-C391 WeakPolarHBondContact O-CA 3.44Å; G379-C391 PolarHBondContact O-N 3.33Å; I389-C391 PolarHBondContact O-SG 3.45Å; I389-C391 VanDerWaalsContact O-SG 3.42Å; C391-D393 PolarHBondContact O-N 3.41Å; C391-A394 HydrophobicContact CB-CB 4.39Å; C391-A394 VanDerWaalsContact O-CB 3.24Å; C391-A394 WeakPolarHBondContact O-CB 3.47Å; C391-A394 PolarHBondContact O-N 3.44Å; C391-F396 HydrophobicContact CB-CZ 4.2Å
392	K	92.8	Very high	90.3	Very high	38 Å²	38	35 Å²	35	17%	0.165	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34.9	178.3	-71.3	172.1	159.2	-146.6	0	112.9	K269 E276 D277 P279 G379 N390 A394	K269-K392 PolarHBondContact NZ-O 2.8Å; E276-K392 WeakPolarHBondContact O-CD 3.35Å; E276-K392 PolarHBondContact O-NZ 2.9Å; E276-K392 VanDerWaalsContact O-NZ 3.17Å; D277-K392 WeakPolarHBondContact O-CE 3.48Å; D277-K392 IonicContact OD1-NZ 2.76Å; D277-K392 PolarHBondContact OD1-NZ 3.36Å; P279-K392 WeakPolarHBondContact CA-O 3.41Å; G379-K392 PolarHBondContact O-N 3.33Å; N390-K392 WeakPolarHBondContact OD1-CB 3.12Å; N390-K392 WeakPolarHBondContact OD1-CD 3.4Å; N390-K392 VanDerWaalsContact OD1-CG 3.25Å; N390-K392 WeakPolarHBondContact OD1-CG 3.5Å; N390-K392 PolarHBondContact OD1-N 3.44Å; K392-A394 VanDerWaalsContact C-N 3.33Å
393	D	92.1	Very high	90.7	Very high	85 Å²	85	32.7 Å²	32.7	46%	0.455	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.7	178.4	-65.1	-40.8	0	0	0	113.8	K269 N353 C391	K269-D393 PolarHBondContact NZ-O 3.43Å; N353-D393 HydrophobicContact CB-CB 3.85Å; C391-D393 PolarHBondContact O-N 3.41Å
394	A	95.1	Very high	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.196	C	C	.	.			trans	-68	159	174.3	0	0	0	0	0	111.5	K269 L348 P352 A354 C391 K392 F396	K269-A394 PolarHBondContact NZ-O 2.86Å; L348-A394 HydrophobicContact CD2-CB 4.25Å; P352-A394 WeakPolarHBondContact O-CB 3.5Å; P352-A394 PolarHBondContact O-N 3.26Å; A354-A394 WeakPolarHBondContact O-CA 3.41Å; C391-A394 HydrophobicContact CB-CB 4.39Å; C391-A394 VanDerWaalsContact O-CB 3.24Å; C391-A394 WeakPolarHBondContact O-CB 3.47Å; C391-A394 PolarHBondContact O-N 3.44Å; K392-A394 VanDerWaalsContact C-N 3.33Å; A394-F396 HydrophobicContact CB-CD2 4.49Å; A394-F396 HydrophobicContact CB-CE1 4.47Å; A394-F396 HydrophobicContact CB-CE2 3.75Å; A394-F396 HydrophobicContact CB-CZ 3.74Å
395	I	96.7	Very high	91.9	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.6	170.6	-59.8	-179.5	0	0	0	107.7	I266 K269 L280 F282 L303 A354 V355 V356 I397	I266-I395 HydrophobicContact CG1-CD1 4.29Å; K269-I395 HydrophobicContact CD-CD1 4.5Å; K269-I395 HydrophobicContact CD-CG1 4.43Å; L280-I395 HydrophobicContact CB-CG1 4.38Å; L280-I395 HydrophobicContact CB-CG2 4.36Å; L280-I395 CarbonylContact O-C 3.6Å; F282-I395 HydrophobicContact CD2-CG2 3.88Å; F282-I395 HydrophobicContact CE2-CG2 3.69Å; L303-I395 HydrophobicContact CD1-CD1 3.4Å; A354-I395 PolarHBondContact O-N 3.4Å; V355-I395 CarbonylContact C-O 3.3Å; V355-I395 WeakPolarHBondContact CA-O 3.33Å; V355-I395 HydrophobicContact CG2-CB 4.35Å; V356-I395 PolarHBondContact N-O 3.11Å; I395-I397 HydrophobicContact CG2-CG1 4.26Å
396	F	97.4	Very high	92.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.4	178.5	-60.9	-79.3	0	0	0	109.8	P279 L280 V281 F282 L348 V356 F358 L375 F376 C391 A394	P279-F396 HydrophobicContact CB-CD2 3.7Å; P279-F396 HydrophobicContact CB-CE2 3.54Å; P279-F396 HydrophobicContact CG-CD2 3.82Å; P279-F396 HydrophobicContact CG-CE2 3.64Å; L280-F396 PolarHBondContact O-N 3.17Å; V281-F396 CarbonylContact C-O 3.58Å; V281-F396 WeakPolarHBondContact CA-O 3.4Å; V281-F396 HydrophobicContact CG1-CB 4.49Å; V281-F396 HydrophobicContact CG2-CB 4.28Å; V281-F396 HydrophobicContact CG2-CD2 4.38Å; F282-F396 PolarHBondContact N-O 3.05Å; L348-F396 HydrophobicContact CD1-CE1 4.4Å; L348-F396 HydrophobicContact CD1-CZ 4.44Å; V356-F396 HydrophobicContact CB-CD1 3.69Å; V356-F396 HydrophobicContact CB-CE1 3.96Å; V356-F396 HydrophobicContact CG1-CD1 4.12Å; V356-F396 HydrophobicContact CG1-CE1 4.32Å; V356-F396 HydrophobicContact CG2-CD1 4.08Å; V356-F396 HydrophobicContact CG2-CE1 3.84Å; V356-F396 CarbonylContact O-C 3.59Å; V356-F396 WeakPolarHBondContact O-CA 3.42Å; F358-F396 HydrophobicContact CE2-CB 4.36Å; F358-F396 AromaticContact CE2-CD1 3.54Å; F358-F396 HydrophobicContact CE2-CD1 3.54Å; F358-F396 HydrophobicContact CE2-CE1 4.3Å; F358-F396 HydrophobicContact CE2-CG 4.33Å; F358-F396 AromaticContact CZ-CD1 3.9Å; F358-F396 HydrophobicContact CZ-CD1 3.9Å; F358-F396 HydrophobicContact CZ-CE1 4.24Å; L375-F396 HydrophobicContact CD1-CZ 4.07Å; L375-F396 HydrophobicContact CD2-CD1 4.45Å; L375-F396 HydrophobicContact CD2-CE1 3.66Å; L375-F396 HydrophobicContact CD2-CE2 4.46Å; L375-F396 HydrophobicContact CD2-CZ 3.67Å; L375-F396 HydrophobicContact CG-CE1 4.39Å; L375-F396 HydrophobicContact CG-CE2 4.34Å; L375-F396 HydrophobicContact CG-CZ 3.93Å; F376-F396 HydrophobicContact CD1-CD2 4.09Å; F376-F396 HydrophobicContact CD1-CG 4.27Å; F376-F396 HydrophobicContact CE1-CB 3.76Å; F376-F396 HydrophobicContact CE1-CD1 4.01Å; F376-F396 AromaticContact CE1-CD2 3.89Å; F376-F396 HydrophobicContact CE1-CD2 3.89Å; F376-F396 AromaticContact CE1-CG 3.6Å; F376-F396 HydrophobicContact CE1-CG 3.6Å; F376-F396 HydrophobicContact CZ-CB 4.28Å; C391-F396 HydrophobicContact CB-CZ 4.2Å; A394-F396 HydrophobicContact CB-CD2 4.49Å; A394-F396 HydrophobicContact CB-CE1 4.47Å; A394-F396 HydrophobicContact CB-CE2 3.75Å; A394-F396 HydrophobicContact CB-CZ 3.74Å
397	I	98.1	Very high	93.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.6	175.9	-59.7	175.3	0	0	0	106.9	F282 F284 A296 V355 V356 L357 F358 I395	F282-I397 HydrophobicContact CB-CG1 4.34Å; F282-I397 HydrophobicContact CD2-CG1 4.07Å; F284-I397 HydrophobicContact CD1-CG2 4Å; F284-I397 HydrophobicContact CD2-CG2 3.51Å; F284-I397 HydrophobicContact CE1-CG2 3.94Å; F284-I397 HydrophobicContact CE2-CD1 4.32Å; F284-I397 HydrophobicContact CE2-CG2 3.43Å; F284-I397 VanDerWaalsContact CE2-CG2 3.43Å; F284-I397 HydrophobicContact CG-CG2 3.81Å; F284-I397 HydrophobicContact CZ-CD1 4.08Å; F284-I397 HydrophobicContact CZ-CG1 4.4Å; F284-I397 HydrophobicContact CZ-CG2 3.66Å; A296-I397 HydrophobicContact CB-CD1 3.68Å; A296-I397 HydrophobicContact CB-CG2 4.26Å; V355-I397 HydrophobicContact CG1-CD1 3.77Å; V355-I397 HydrophobicContact CG1-CG1 4.42Å; V356-I397 PolarHBondContact O-N 3.44Å; L357-I397 CarbonylContact C-O 3.55Å; L357-I397 VanDerWaalsContact CA-O 3.27Å; L357-I397 WeakPolarHBondContact CA-O 3.5Å; L357-I397 HydrophobicContact CD1-CB 3.91Å; L357-I397 HydrophobicContact CD1-CG2 3.6Å; F358-I397 PolarHBondContact N-O 2.82Å; I395-I397 HydrophobicContact CG2-CG1 4.26Å
398	M	96.9	Very high	93.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.7	172.7	-66.8	179.9	-65.3	0	0	108.7	V281 F282 L283 F284 F358 T361 F376 F449 I453	V281-M398 HydrophobicContact CG1-CE 3.69Å; F282-M398 PolarHBondContact O-N 2.9Å; L283-M398 HydrophobicContact CB-CE 4.43Å; L283-M398 HydrophobicContact CD1-CB 3.76Å; L283-M398 HydrophobicContact CD1-CE 4.46Å; F284-M398 WeakPolarHBondContact CB-O 3.49Å; F284-M398 PolarHBondContact N-O 2.97Å; F358-M398 HydrophobicContact CB-CG 4.14Å; F358-M398 HydrophobicContact CD2-CG 3.91Å; F358-M398 CarbonylContact O-C 2.97Å; F358-M398 WeakPolarHBondContact O-CA 3.49Å; T361-M398 HydrophobicContact CG2-CG 4.33Å; T361-M398 HydrophobicContact CG2-SD 3.97Å; T361-M398 WeakPolarHBondContact OG1-CB 3.45Å; F376-M398 HydrophobicContact CE2-CE 4.1Å; F376-M398 HydrophobicContact CE2-SD 3.97Å; F376-M398 HydrophobicContact CZ-SD 4.12Å; M398-F449 HydrophobicContact CE-CE1 3.93Å; M398-F449 HydrophobicContact CE-CZ 4.03Å; M398-F449 HydrophobicContact SD-CE1 3.85Å; M398-F449 HydrophobicContact SD-CZ 3.5Å; M398-F449 VanDerWaalsContact SD-CZ 3.5Å; M398-I453 HydrophobicContact CE-CD1 3.77Å; M398-I453 HydrophobicContact CE-CG1 3.78Å
399	T	96.2	Very high	93.7	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.8	169	80.4	0	0	0	0	109.7	F284 K292 L357 F358 D359 E360 T361	F284-T399 WeakPolarHBondContact O-CA 3.34Å; K292-T399 HydrophobicContact CB-CG2 4.07Å; L357-T399 HydrophobicContact CD1-CG2 3.5Å; L357-T399 HydrophobicContact CG-CG2 4.38Å; F358-T399 PolarHBondContact O-N 3.34Å; D359-T399 WeakPolarHBondContact CA-OG1 3.42Å; D359-T399 PolarHBondContact OD1-OG1 3.34Å; E360-T399 PolarHBondContact N-O 3.05Å; E360-T399 PolarHBondContact N-OG1 3.14Å; T361-T399 PolarHBondContact N-O 2.94Å; T361-T399 PolarHBondContact OG1-O 3.29Å
400	S	95.4	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.1	171.4	-173	0	0	0	0	112.2	F284 G286 K292 E362 V402	F284-S400 PolarHBondContact O-N 3.04Å; G286-S400 PolarHBondContact N-O 2.91Å; K292-S400 PolarHBondContact NZ-O 3.25Å; E362-S400 WeakPolarHBondContact OE2-CA 3.3Å; E362-S400 WeakPolarHBondContact OE2-CB 3.34Å; E362-S400 PolarHBondContact OE2-OG 3.4Å; S400-V402 VanDerWaalsContact C-N 3.34Å; S400-V402 WeakPolarHBondContact OG-CB 3.49Å; S400-V402 VanDerWaalsContact OG-CG2 3.23Å; S400-V402 WeakPolarHBondContact OG-CG2 3.41Å; S400-V402 PolarHBondContact OG-N 2.86Å
401	N	94.2	Very high	93.5	Very high	40 Å²	40	23.5 Å²	23.5	21%	0.214	13%	0.125	C	C	.	.			trans	-92.8	2	172.3	-59.8	-44.5	0	0	0	112.1	G286 K292 E362 G403 S404	G286-N401 PolarHBondContact O-OD1 2.74Å; K292-N401 PolarHBondContact NZ-OD1 3.2Å; E362-N401 PolarHBondContact OE1-N 3.44Å; N401-G403 PolarHBondContact O-N 3.22Å; N401-S404 WeakPolarHBondContact O-CB 3.43Å; N401-S404 PolarHBondContact O-N 2.7Å; N401-S404 VanDerWaalsContact O-N 3.14Å; N401-S404 PolarHBondContact O-OG 2.91Å
402	V	93.7	Very high	93.2	Very high	10 Å²	10	27.8 Å²	27.8	6%	0.061	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	130.5	178.9	171.5	0	0	0	0	110.7	E362 S400 S404 I439 L440 H443	E362-V402 HydrophobicContact CB-CG2 3.56Å; E362-V402 HydrophobicContact CG-CG2 3.83Å; S400-V402 VanDerWaalsContact C-N 3.34Å; S400-V402 WeakPolarHBondContact OG-CB 3.49Å; S400-V402 VanDerWaalsContact OG-CG2 3.23Å; S400-V402 WeakPolarHBondContact OG-CG2 3.41Å; S400-V402 PolarHBondContact OG-N 2.86Å; V402-S404 PolarHBondContact O-N 2.89Å; V402-I439 HydrophobicContact CG1-CG2 3.58Å; V402-L440 HydrophobicContact CB-CD2 4.43Å; V402-L440 HydrophobicContact CG1-CD2 4.01Å; V402-H443 HydrophobicContact CG1-CB 4.27Å; V402-H443 VanDerWaalsContact CG1-CD2 3.5Å; V402-H443 WeakPolarHBondContact CG1-CD2 3.42Å; V402-H443 HydrophobicContact CG2-CB 4.11Å
403	G	92	Very high	93	Very high	16 Å²	16	31.5 Å²	31.5	17%	0.165	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	10.3	-179.4	0	0	0	0	0	114.7	N401 Q405 V406 I407	N401-G403 PolarHBondContact O-N 3.22Å; G403-Q405 VanDerWaalsContact C-N 3.3Å; G403-Q405 PolarHBondContact O-N 2.92Å; G403-V406 PolarHBondContact O-N 3.24Å; G403-V406 VanDerWaalsContact O-N 3.12Å; G403-I407 VanDerWaalsContact O-CG1 3.31Å; G403-I407 WeakPolarHBondContact O-CG1 3.49Å; G403-I407 PolarHBondContact O-N 3.4Å
404	S	92.6	Very high	92.7	Very high	25 Å²	25	29.3 Å²	29.3	18%	0.175	15%	0.152	C	C	.	.	H	α-helix	trans	-53.6	-42.7	180	49.4	0	0	0	0	113.4	N401 V402 I407 A408	N401-S404 WeakPolarHBondContact O-CB 3.43Å; N401-S404 PolarHBondContact O-N 2.7Å; N401-S404 VanDerWaalsContact O-N 3.14Å; N401-S404 PolarHBondContact O-OG 2.91Å; V402-S404 PolarHBondContact O-N 2.89Å; S404-I407 PolarHBondContact O-N 3.21Å; S404-A408 VanDerWaalsContact O-CB 3.31Å; S404-A408 WeakPolarHBondContact O-CB 3.36Å; S404-A408 PolarHBondContact O-N 2.93Å
405	Q	92.1	Very high	92.2	Very high	99 Å²	99	31.6 Å²	31.6	46%	0.463	16%	0.16	S	C	.	.	H	α-helix	trans	-60.6	-47.6	176.8	-176.3	178.5	-2.7	0	0	111.9	G403 I407 A408 E409 Y507	G403-Q405 VanDerWaalsContact C-N 3.3Å; G403-Q405 PolarHBondContact O-N 2.92Å; Q405-I407 VanDerWaalsContact C-N 3.35Å; Q405-I407 PolarHBondContact O-N 2.82Å; Q405-A408 PolarHBondContact O-N 3.15Å; Q405-A408 VanDerWaalsContact O-N 3.16Å; Q405-E409 WeakPolarHBondContact CG-OE1 3.18Å; Q405-E409 PolarHBondContact NE2-OE1 3.42Å; Q405-E409 WeakPolarHBondContact O-CG 3.34Å; Q405-E409 PolarHBondContact O-N 2.92Å; Q405-Y507 HydrophobicContact CB-CE1 4.5Å; Q405-Y507 HydrophobicContact CG-CE1 4.45Å
406	V	93.6	Very high	91.4	Very high	45 Å²	45	39.2 Å²	39.2	27%	0.273	20%	0.195	S	C	.	.	H	α-helix	trans	-67.2	-38.4	-178.3	-171.3	0	0	0	0	111.1	G403 A408 H410 F431 V435 I439	G403-V406 PolarHBondContact O-N 3.24Å; G403-V406 VanDerWaalsContact O-N 3.12Å; V406-A408 VanDerWaalsContact C-N 3.35Å; V406-H410 WeakPolarHBondContact O-CB 3.46Å; V406-H410 PolarHBondContact O-N 3.35Å; V406-F431 HydrophobicContact CG1-CE2 3.9Å; V406-F431 HydrophobicContact CG1-CZ 3.85Å; V406-V435 HydrophobicContact CG1-CG1 3.5Å; V406-V435 VanDerWaalsContact CG1-CG1 3.5Å; V406-I439 HydrophobicContact CG2-CD1 4.15Å
407	I	92.8	Very high	90.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-44.8	172.4	-66.1	163.7	0	0	0	110.2	L285 G403 S404 Q405 H410 A411 I427 F431 M436 Y458 L460	L285-I407 HydrophobicContact CB-CD1 3.94Å; G403-I407 VanDerWaalsContact O-CG1 3.31Å; G403-I407 WeakPolarHBondContact O-CG1 3.49Å; G403-I407 PolarHBondContact O-N 3.4Å; S404-I407 PolarHBondContact O-N 3.21Å; Q405-I407 VanDerWaalsContact C-N 3.35Å; Q405-I407 PolarHBondContact O-N 2.82Å; I407-H410 PolarHBondContact O-N 2.84Å; I407-A411 VanDerWaalsContact O-CB 3.27Å; I407-A411 WeakPolarHBondContact O-CB 3.46Å; I407-A411 PolarHBondContact O-N 3.45Å; I407-I427 HydrophobicContact CG2-CD1 4.19Å; I407-F431 HydrophobicContact CG1-CE1 4.31Å; I407-M436 HydrophobicContact CD1-CE 3.74Å; I407-M436 HydrophobicContact CD1-SD 4.06Å; I407-M436 HydrophobicContact CG1-CE 4.07Å; I407-M436 HydrophobicContact CG1-SD 3.67Å; I407-Y458 HydrophobicContact CD1-CD1 3.9Å; I407-Y458 HydrophobicContact CD1-CE1 4.36Å; I407-Y458 HydrophobicContact CG1-CD1 4.24Å; I407-L460 HydrophobicContact CG2-CD2 4.06Å
408	A	90.3	Very high	89.4	Confident	6 Å²	6	48 Å²	48	5%	0.05	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-45.6	-178.8	0	0	0	0	0	112.4	S404 Q405 V406 A411 Q412 P461 V506	S404-A408 VanDerWaalsContact O-CB 3.31Å; S404-A408 WeakPolarHBondContact O-CB 3.36Å; S404-A408 PolarHBondContact O-N 2.93Å; Q405-A408 PolarHBondContact O-N 3.15Å; Q405-A408 VanDerWaalsContact O-N 3.16Å; V406-A408 VanDerWaalsContact C-N 3.35Å; A408-A411 PolarHBondContact O-N 3.14Å; A408-Q412 WeakPolarHBondContact O-CG 3.42Å; A408-Q412 PolarHBondContact O-N 3.2Å; A408-P461 HydrophobicContact CB-CG 3.61Å; A408-V506 HydrophobicContact CB-CG1 3.86Å
409	E	90.7	Very high	87.9	Confident	87 Å²	87	50.1 Å²	50.1	41%	0.407	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-44.9	176.4	-72.4	171.7	-170.4	0	0	111.3	Q405 A411 Q412 Q413	Q405-E409 WeakPolarHBondContact CG-OE1 3.18Å; Q405-E409 PolarHBondContact NE2-OE1 3.42Å; Q405-E409 WeakPolarHBondContact O-CG 3.34Å; Q405-E409 PolarHBondContact O-N 2.92Å; E409-A411 PolarHBondContact O-N 3.32Å; E409-Q412 PolarHBondContact O-N 3.48Å; E409-Q413 WeakPolarHBondContact O-CG 3.4Å; E409-Q413 PolarHBondContact O-N 2.97Å; E409-Q413 VanDerWaalsContact O-N 3.09Å
410	H	90.5	Very high	86	Confident	30 Å²	30	57.6 Å²	57.6	14%	0.139	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-39.9	177.1	-171.7	54.1	0	0	0	112.3	V406 I407 Q412 Q413 L414 F431	V406-H410 WeakPolarHBondContact O-CB 3.46Å; V406-H410 PolarHBondContact O-N 3.35Å; I407-H410 PolarHBondContact O-N 2.84Å; H410-Q412 VanDerWaalsContact C-N 3.33Å; H410-Q412 PolarHBondContact O-N 3.24Å; H410-Q413 WeakPolarHBondContact O-CB 3.31Å; H410-Q413 PolarHBondContact O-N 3.4Å; H410-L414 WeakPolarHBondContact O-CG 3.48Å; H410-L414 PolarHBondContact O-N 2.85Å; H410-F431 HydrophobicContact CB-CD2 4.03Å; H410-F431 HydrophobicContact CB-CE2 3.44Å; H410-F431 VanDerWaalsContact CB-CE2 3.44Å; H410-F431 HydrophobicContact CB-CZ 3.71Å; H410-F431 AromaticContact CD2-CD1 3.88Å; H410-F431 AromaticContact CD2-CD2 3.45Å; H410-F431 VanDerWaalsContact CD2-CD2 3.45Å; H410-F431 WeakPolarHBondContact CD2-CD2 3.49Å; H410-F431 AromaticContact CD2-CE2 3.74Å; H410-F431 AromaticContact CD2-CG 3.5Å; H410-F431 AromaticContact CG-CD2 3.52Å; H410-F431 AromaticContact CG-CE2 3.5Å; H410-F431 AromaticContact ND1-CD2 3.87Å; H410-F431 AromaticContact NE2-CD2 3.76Å; H410-F431 AromaticContact NE2-CG 3.71Å
411	A	88.6	Confident	84.1	Confident	2 Å²	2	64 Å²	64	2%	0.017	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-40	176.4	0	0	0	0	0	112.2	I407 A408 E409 L414 R415 L460 P461	I407-A411 VanDerWaalsContact O-CB 3.27Å; I407-A411 WeakPolarHBondContact O-CB 3.46Å; I407-A411 PolarHBondContact O-N 3.45Å; A408-A411 PolarHBondContact O-N 3.14Å; E409-A411 PolarHBondContact O-N 3.32Å; A411-L414 PolarHBondContact O-N 3.48Å; A411-R415 WeakPolarHBondContact O-CG 3.4Å; A411-R415 PolarHBondContact O-N 3.46Å; A411-L460 HydrophobicContact CB-CB 4.31Å; A411-L460 HydrophobicContact CB-CD2 4.05Å; A411-P461 HydrophobicContact CB-CG 4.49Å
412	Q	86.4	Confident	82.4	Confident	90 Å²	90	65 Å²	65	42%	0.421	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-43.3	174.5	-73.9	176.3	-11.8	0	0	111.4	A408 E409 H410 L414 R415 H416	A408-Q412 WeakPolarHBondContact O-CG 3.42Å; A408-Q412 PolarHBondContact O-N 3.2Å; E409-Q412 PolarHBondContact O-N 3.48Å; H410-Q412 VanDerWaalsContact C-N 3.33Å; H410-Q412 PolarHBondContact O-N 3.24Å; Q412-L414 PolarHBondContact O-N 2.89Å; Q412-R415 PolarHBondContact O-N 2.92Å; Q412-H416 PolarHBondContact O-CD2 3.42Å; Q412-H416 PolarHBondContact O-N 3.24Å
413	Q	87.7	Confident	80.6	Confident	117 Å²	117	67.6 Å²	67.6	55%	0.547	37%	0.373	S	S	.	.	H	α-helix	trans	-60.5	-45.6	175.3	-68.3	168.2	0.9	0	0	111.9	E409 H410 R415 H416 V417	E409-Q413 WeakPolarHBondContact O-CG 3.4Å; E409-Q413 PolarHBondContact O-N 2.97Å; E409-Q413 VanDerWaalsContact O-N 3.09Å; H410-Q413 WeakPolarHBondContact O-CB 3.31Å; H410-Q413 PolarHBondContact O-N 3.4Å; Q413-R415 VanDerWaalsContact C-N 3.31Å; Q413-R415 PolarHBondContact O-N 3.31Å; Q413-H416 PolarHBondContact O-N 3.42Å; Q413-V417 WeakPolarHBondContact O-CG2 3.3Å; Q413-V417 PolarHBondContact O-N 3.41Å; Q413-V417 VanDerWaalsContact O-N 3.14Å
414	L	86.9	Confident	79.4	Confident	39 Å²	39	71.6 Å²	71.6	20%	0.204	39%	0.39	C	S	.	.	H	α-helix	trans	-62.7	-37.2	178.4	-70.3	174.3	0	0	0	112.5	H410 A411 Q412 V417 S418 I425	H410-L414 WeakPolarHBondContact O-CG 3.48Å; H410-L414 PolarHBondContact O-N 2.85Å; A411-L414 PolarHBondContact O-N 3.48Å; Q412-L414 PolarHBondContact O-N 2.89Å; L414-V417 PolarHBondContact O-N 2.91Å; L414-S418 WeakPolarHBondContact O-CB 3.47Å; L414-S418 PolarHBondContact O-N 3.39Å; L414-S418 PolarHBondContact O-OG 3.42Å; L414-I425 HydrophobicContact CB-CG2 3.69Å; L414-I425 HydrophobicContact CD1-CG2 3.71Å; L414-I425 HydrophobicContact CG-CG2 4.34Å
415	R	82.8	Confident	78.8	Confident	47 Å²	47	71.1 Å²	71.1	18%	0.177	39%	0.386	C	S	.	.	H	α-helix	trans	-65	-43.1	174.4	-78.3	179.8	176.8	161.7	2.7	112.4	A411 Q412 Q413 V417 S418 G419 I425 P461 F462 E466	A411-R415 WeakPolarHBondContact O-CG 3.4Å; A411-R415 PolarHBondContact O-N 3.46Å; Q412-R415 PolarHBondContact O-N 2.92Å; Q413-R415 VanDerWaalsContact C-N 3.31Å; Q413-R415 PolarHBondContact O-N 3.31Å; R415-V417 PolarHBondContact O-N 3.29Å; R415-S418 PolarHBondContact O-N 3.02Å; R415-G419 PolarHBondContact O-N 2.96Å; R415-I425 HydrophobicContact CB-CD1 4.2Å; R415-I425 HydrophobicContact CG-CD1 3.15Å; R415-P461 PolarHBondContact NH1-O 2.88Å; R415-P461 PolarHBondContact NH2-O 3.31Å; R415-F462 VanDerWaalsContact NH1-C 3.32Å; R415-F462 PolarHBondContact NH1-O 3.16Å; R415-E466 IonicContact NH2-OE2 2.95Å
416	H	81	Confident	78.3	Confident	167 Å²	167	71.7 Å²	71.7	77%	0.773	39%	0.388	S	S	*	.	H	α-helix	trans	-60.9	-35.1	176.1	-76.1	-56.5	0	0	0	112.7	Q412 Q413	Q412-H416 PolarHBondContact O-CD2 3.42Å; Q412-H416 PolarHBondContact O-N 3.24Å; Q413-H416 PolarHBondContact O-N 3.42Å
417	V	80.2	Confident	78	Confident	128 Å²	128	70.3 Å²	70.3	78%	0.776	38%	0.38	S	S	*	.	H	α-helix	trans	-80	-39.3	179.4	176.7	0	0	0	0	112.3	Q413 L414 R415	Q413-V417 WeakPolarHBondContact O-CG2 3.3Å; Q413-V417 PolarHBondContact O-N 3.41Å; Q413-V417 VanDerWaalsContact O-N 3.14Å; L414-V417 PolarHBondContact O-N 2.91Å; R415-V417 PolarHBondContact O-N 3.29Å
418	S	72.3	Confident	77.7	Confident	57 Å²	57	72.6 Å²	72.6	40%	0.399	40%	0.395	S	S	.	.	H	α-helix	trans	-79.5	-15.8	-174.3	-51.8	0	0	0	0	113.7	L414 R415 N420	L414-S418 WeakPolarHBondContact O-CB 3.47Å; L414-S418 PolarHBondContact O-N 3.39Å; L414-S418 PolarHBondContact O-OG 3.42Å; R415-S418 PolarHBondContact O-N 3.02Å; S418-N420 PolarHBondContact O-N 3.27Å
419	G	65.8	Low	77.6	Confident	44 Å²	44	83 Å²	83	45%	0.454	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	-122.3	-178.9	0	0	0	0	0	112.1	R415	R415-G419 PolarHBondContact O-N 2.96Å
420	N	55.5	Low	77.6	Confident	158 Å²	158	83.5 Å²	83.5	85%	0.845	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-5.8	-172.7	-77.1	-5.2	0	0	0	115	S418 E422	S418-N420 PolarHBondContact O-N 3.27Å; N420-E422 PolarHBondContact O-N 2.92Å
421	D	55.8	Low	77.7	Confident	135 Å²	135	82.8 Å²	82.8	72%	0.722	44%	0.435	S	S	*	.			trans	-79	66.7	173.3	-72.3	-23.3	0	0	0	109.4	A423	D421-A423 VanDerWaalsContact C-N 3.27Å; D421-A423 PolarHBondContact O-N 3.39Å
422	E	58.6	Low	77.8	Confident	61 Å²	61	86.4 Å²	86.4	29%	0.285	45%	0.451	S	S	.	.			trans	-67.5	-25.9	-174.7	-67.3	-168.8	149.7	0	0	113.2	N420 S463 S465	N420-E422 PolarHBondContact O-N 2.92Å; E422-S463 VanDerWaalsContact OE2-CB 3.32Å; E422-S463 WeakPolarHBondContact OE2-CB 3.42Å; E422-S463 PolarHBondContact OE2-OG 2.71Å; E422-S463 VanDerWaalsContact OE2-OG 3.04Å; E422-S465 PolarHBondContact OE2-OG 3.35Å
423	A	57.3	Low	78	Confident	64 Å²	64	86.3 Å²	86.3	53%	0.529	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-26.8	-162.4	0	0	0	0	0	114.7	D421	D421-A423 VanDerWaalsContact C-N 3.27Å; D421-A423 PolarHBondContact O-N 3.39Å
424	D	66.2	Low	78.1	Confident	100 Å²	100	87.9 Å²	87.9	54%	0.535	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	40	-170.8	-79.1	-39.5	0	0	0	112.7	R260 E426	R260-D424 IonicContact CZ-OD1 3.5Å; R260-D424 IonicContact NH1-OD1 3.64Å; R260-D424 IonicContact NH2-OD1 2.93Å; R260-D424 PolarHBondContact NH2-OD1 2.76Å; D424-E426 PolarHBondContact O-N 3.28Å; D424-E426 VanDerWaalsContact O-N 3.11Å
425	I	79.8	Confident	78.4	Confident	15 Å²	15	88.5 Å²	88.5	8%	0.077	46%	0.461	C	S	.	.			trans	-76.1	104.6	173.7	-58.8	178.9	0	0	0	109.1	L414 R415 L460	L414-I425 HydrophobicContact CB-CG2 3.69Å; L414-I425 HydrophobicContact CD1-CG2 3.71Å; L414-I425 HydrophobicContact CG-CG2 4.34Å; R415-I425 HydrophobicContact CB-CD1 4.2Å; R415-I425 HydrophobicContact CG-CD1 3.15Å; I425-L460 HydrophobicContact CB-CD1 4.09Å; I425-L460 HydrophobicContact CG2-CD1 3.9Å; I425-L460 WeakPolarHBondContact O-CD1 3.43Å
426	E	80.8	Confident	78.8	Confident	111 Å²	111	86.3 Å²	86.3	52%	0.519	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-101.3	137	174	-67.5	-171.1	177.9	0	0	111.1	A257 R260 D424 S428	A257-E426 HydrophobicContact CB-CG 4.41Å; R260-E426 IonicContact NH1-OE1 3.26Å; R260-E426 PolarHBondContact NH1-OE1 3.28Å; D424-E426 PolarHBondContact O-N 3.28Å; D424-E426 VanDerWaalsContact O-N 3.11Å; E426-S428 PolarHBondContact O-N 3Å
427	I	87.2	Confident	79.3	Confident	17 Å²	17	84.2 Å²	84.2	9%	0.087	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-69.4	125.7	174.8	-61.3	-166.9	0	0	0	109.6	I407 F431 K432 Y458 L460	I407-I427 HydrophobicContact CG2-CD1 4.19Å; I427-F431 HydrophobicContact CD1-CE1 4.45Å; I427-F431 HydrophobicContact CG2-CB 4Å; I427-F431 HydrophobicContact CG2-CD1 3.32Å; I427-F431 HydrophobicContact CG2-CE1 4.09Å; I427-F431 HydrophobicContact CG2-CG 4Å; I427-K432 HydrophobicContact CG2-CG 3.83Å; I427-K432 WeakPolarHBondContact O-CE 3.42Å; I427-Y458 HydrophobicContact CD1-CD1 3.62Å; I427-Y458 HydrophobicContact CD1-CD2 4.24Å; I427-Y458 HydrophobicContact CD1-CE1 4.44Å; I427-Y458 HydrophobicContact CD1-CG 3.49Å; I427-Y458 VanDerWaalsContact CD1-CG 3.49Å; I427-Y458 HydrophobicContact CG1-CG 4.47Å; I427-L460 HydrophobicContact CD1-CD2 3.77Å; I427-L460 HydrophobicContact CG1-CD2 3.92Å
428	S	87.7	Confident	79.8	Confident	49 Å²	49	81.5 Å²	81.5	34%	0.343	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-57.3	146.4	178.1	70	0	0	0	0	112.7	E426 D430 F431 K432	E426-S428 PolarHBondContact O-N 3Å; S428-D430 PolarHBondContact O-N 3.31Å; S428-F431 PolarHBondContact O-N 2.81Å; S428-F431 VanDerWaalsContact OG-CB 3.3Å; S428-F431 WeakPolarHBondContact OG-CB 3.45Å; S428-F431 PolarHBondContact OG-N 3.08Å; S428-K432 WeakPolarHBondContact O-CG 3.49Å; S428-K432 PolarHBondContact O-N 3.47Å
429	R	88.7	Confident	80.7	Confident	225 Å²	225	81 Å²	81	85%	0.849	42%	0.415	S	S	*	.	H	α-helix	trans	-58.3	-38.3	175.4	-68	-177.2	179.3	-176.7	-0.6	111.8	F431 K432 E433	R429-F431 PolarHBondContact O-N 3.35Å; R429-K432 PolarHBondContact O-N 3.36Å; R429-E433 PolarHBondContact O-N 3.34Å
430	D	89.3	Confident	82	Confident	97 Å²	97	78.9 Å²	78.9	52%	0.519	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-43.1	177.5	-82.1	-56.5	0	0	0	112.6	S428 E433 K434	S428-D430 PolarHBondContact O-N 3.31Å; D430-E433 PolarHBondContact O-N 3.49Å; D430-K434 WeakPolarHBondContact O-CB 3.12Å; D430-K434 PolarHBondContact O-N 3.4Å; D430-K434 WeakPolarHBondContact OD1-CE 3.33Å; D430-K434 IonicContact OD1-NZ 2.77Å; D430-K434 PolarHBondContact OD1-NZ 3.41Å
431	F	92.1	Very high	83.5	Confident	16 Å²	16	78 Å²	78	7%	0.07	38%	0.378	C	S	.	.	H	α-helix	trans	-65.4	-43.4	177.2	179.6	-90.6	0	0	0	111.7	V406 I407 H410 I427 S428 R429 E433 V435 M436	V406-F431 HydrophobicContact CG1-CE2 3.9Å; V406-F431 HydrophobicContact CG1-CZ 3.85Å; I407-F431 HydrophobicContact CG1-CE1 4.31Å; H410-F431 HydrophobicContact CB-CD2 4.03Å; H410-F431 HydrophobicContact CB-CE2 3.44Å; H410-F431 VanDerWaalsContact CB-CE2 3.44Å; H410-F431 HydrophobicContact CB-CZ 3.71Å; H410-F431 AromaticContact CD2-CD1 3.88Å; H410-F431 AromaticContact CD2-CD2 3.45Å; H410-F431 VanDerWaalsContact CD2-CD2 3.45Å; H410-F431 WeakPolarHBondContact CD2-CD2 3.49Å; H410-F431 AromaticContact CD2-CE2 3.74Å; H410-F431 AromaticContact CD2-CG 3.5Å; H410-F431 AromaticContact CG-CD2 3.52Å; H410-F431 AromaticContact CG-CE2 3.5Å; H410-F431 AromaticContact ND1-CD2 3.87Å; H410-F431 AromaticContact NE2-CD2 3.76Å; H410-F431 AromaticContact NE2-CG 3.71Å; I427-F431 HydrophobicContact CD1-CE1 4.45Å; I427-F431 HydrophobicContact CG2-CB 4Å; I427-F431 HydrophobicContact CG2-CD1 3.32Å; I427-F431 HydrophobicContact CG2-CE1 4.09Å; I427-F431 HydrophobicContact CG2-CG 4Å; S428-F431 PolarHBondContact O-N 2.81Å; S428-F431 VanDerWaalsContact OG-CB 3.3Å; S428-F431 WeakPolarHBondContact OG-CB 3.45Å; S428-F431 PolarHBondContact OG-N 3.08Å; R429-F431 PolarHBondContact O-N 3.35Å; F431-E433 VanDerWaalsContact C-N 3.28Å; F431-E433 PolarHBondContact O-N 3.09Å; F431-V435 HydrophobicContact CD2-CB 4.03Å; F431-V435 HydrophobicContact CD2-CG1 4.36Å; F431-V435 HydrophobicContact CD2-CG2 3.96Å; F431-V435 HydrophobicContact CE2-CB 4.09Å; F431-V435 HydrophobicContact CE2-CG1 3.91Å; F431-V435 HydrophobicContact CE2-CG2 4.31Å; F431-V435 HydrophobicContact CG-CB 4.46Å; F431-V435 HydrophobicContact CZ-CG1 4.3Å; F431-V435 WeakPolarHBondContact O-CB 3.45Å; F431-V435 PolarHBondContact O-N 3.16Å; F431-V435 VanDerWaalsContact O-N 3.11Å; F431-M436 HydrophobicContact CD1-CG 3.82Å; F431-M436 HydrophobicContact CE1-CG 3.38Å; F431-M436 HydrophobicContact CE1-SD 3.93Å; F431-M436 HydrophobicContact CZ-CG 4.11Å; F431-M436 HydrophobicContact CZ-SD 4.21Å; F431-M436 PolarHBondContact O-N 3.06Å; F431-M436 VanDerWaalsContact O-N 3.1Å
432	K	91.8	Very high	85	Confident	77 Å²	77	81.5 Å²	81.5	34%	0.335	38%	0.381	S	S	.	.	I	π-helix	trans	-57.5	-44.1	176.7	-63.6	-176.4	-176.8	-176.1	0	111.2	I427 S428 R429 M436 R437 Y458	I427-K432 HydrophobicContact CG2-CG 3.83Å; I427-K432 WeakPolarHBondContact O-CE 3.42Å; S428-K432 WeakPolarHBondContact O-CG 3.49Å; S428-K432 PolarHBondContact O-N 3.47Å; R429-K432 PolarHBondContact O-N 3.36Å; K432-M436 WeakPolarHBondContact O-CB 3.25Å; K432-R437 PolarHBondContact O-N 2.74Å; K432-Y458 HydrophobicContact CD-CD2 4.44Å; K432-Y458 HydrophobicContact CD-CE2 3.64Å; K432-Y458 VanDerWaalsContact CE-CE2 3.47Å; K432-Y458 HydrophobicContact CG-CE2 3.76Å
433	E	89.9	Confident	86.4	Confident	89 Å²	89	83.3 Å²	83.3	42%	0.416	39%	0.39	S	S	.	.	I	π-helix	trans	-80.4	-48.4	-174.7	-164.4	60	-152.7	0	0	113.8	R429 D430 F431 R437 P438	R429-E433 PolarHBondContact O-N 3.34Å; D430-E433 PolarHBondContact O-N 3.49Å; F431-E433 VanDerWaalsContact C-N 3.28Å; F431-E433 PolarHBondContact O-N 3.09Å; E433-R437 VanDerWaalsContact CD-CZ 3.48Å; E433-R437 VanDerWaalsContact CD-NE 3.26Å; E433-R437 WeakPolarHBondContact O-CB 3.45Å; E433-R437 WeakPolarHBondContact OE1-CD 3.3Å; E433-R437 IonicContact OE1-CZ 3.89Å; E433-R437 VanDerWaalsContact OE1-CZ 3.26Å; E433-R437 IonicContact OE1-NE 2.92Å; E433-R437 PolarHBondContact OE1-NE 3.08Å; E433-R437 IonicContact OE1-NH1 2.85Å; E433-R437 IonicContact OE1-NH2 3.19Å; E433-R437 IonicContact OE2-CZ 3.87Å; E433-R437 IonicContact OE2-NE 3.05Å; E433-R437 PolarHBondContact OE2-NE 2.77Å; E433-R437 IonicContact OE2-NH1 3.2Å; E433-R437 IonicContact OE2-NH2 2.71Å; E433-R437 PolarHBondContact OE2-NH2 3.21Å; E433-P438 WeakPolarHBondContact O-CD 3.44Å
434	K	90.9	Very high	87.7	Confident	150 Å²	150	80.5 Å²	80.5	65%	0.652	37%	0.365	S	S	*	.	I	π-helix	trans	-86.4	-26	-170.2	-64.6	174.4	179.1	152.2	0	113.2	D430	D430-K434 WeakPolarHBondContact O-CB 3.12Å; D430-K434 PolarHBondContact O-N 3.4Å; D430-K434 WeakPolarHBondContact OD1-CE 3.33Å; D430-K434 IonicContact OD1-NZ 2.77Å; D430-K434 PolarHBondContact OD1-NZ 3.41Å
435	V	91.9	Very high	87.9	Confident	52 Å²	52	81.5 Å²	81.5	32%	0.315	37%	0.37	S	S	.	.	I	π-helix	trans	-110.2	-55.8	-174.4	-174.7	0	0	0	0	110.7	V406 F431 P438 I439	V406-V435 HydrophobicContact CG1-CG1 3.5Å; V406-V435 VanDerWaalsContact CG1-CG1 3.5Å; F431-V435 HydrophobicContact CD2-CB 4.03Å; F431-V435 HydrophobicContact CD2-CG1 4.36Å; F431-V435 HydrophobicContact CD2-CG2 3.96Å; F431-V435 HydrophobicContact CE2-CB 4.09Å; F431-V435 HydrophobicContact CE2-CG1 3.91Å; F431-V435 HydrophobicContact CE2-CG2 4.31Å; F431-V435 HydrophobicContact CG-CB 4.46Å; F431-V435 HydrophobicContact CZ-CG1 4.3Å; F431-V435 WeakPolarHBondContact O-CB 3.45Å; F431-V435 PolarHBondContact O-N 3.16Å; F431-V435 VanDerWaalsContact O-N 3.11Å; V435-P438 WeakPolarHBondContact O-CD 3.48Å; V435-I439 HydrophobicContact CG1-CD1 4.27Å; V435-I439 WeakPolarHBondContact O-CD1 3.34Å; V435-I439 VanDerWaalsContact O-CG1 3.32Å; V435-I439 WeakPolarHBondContact O-CG1 3.38Å
436	M	92.7	Very high	87.5	Confident	0 Å²	0	85.7 Å²	85.7	0%	0	39%	0.385	C	S	.	.	I	π-helix	trans	-75.3	-43.8	-172.9	-70.4	-60.4	-51.3	0	0	113.3	L285 I407 F431 K432 I439 L440 Y458	L285-M436 HydrophobicContact CD1-CE 4.22Å; I407-M436 HydrophobicContact CD1-CE 3.74Å; I407-M436 HydrophobicContact CD1-SD 4.06Å; I407-M436 HydrophobicContact CG1-CE 4.07Å; I407-M436 HydrophobicContact CG1-SD 3.67Å; F431-M436 HydrophobicContact CD1-CG 3.82Å; F431-M436 HydrophobicContact CE1-CG 3.38Å; F431-M436 HydrophobicContact CE1-SD 3.93Å; F431-M436 HydrophobicContact CZ-CG 4.11Å; F431-M436 HydrophobicContact CZ-SD 4.21Å; F431-M436 PolarHBondContact O-N 3.06Å; F431-M436 VanDerWaalsContact O-N 3.1Å; K432-M436 WeakPolarHBondContact O-CB 3.25Å; M436-I439 PolarHBondContact O-N 2.85Å; M436-I439 VanDerWaalsContact O-N 3.15Å; M436-L440 HydrophobicContact CE-CG 4.39Å; M436-L440 VanDerWaalsContact O-CG 3.31Å; M436-L440 WeakPolarHBondContact O-CG 3.46Å; M436-L440 PolarHBondContact O-N 3.31Å; M436-Y458 HydrophobicContact CB-CE1 4.33Å; M436-Y458 HydrophobicContact CE-CE1 4.23Å; M436-Y458 HydrophobicContact CG-CE1 3.88Å
437	R	90.2	Very high	87.3	Confident	124 Å²	124	83.9 Å²	83.9	47%	0.468	38%	0.379	S	S	.	.	H	α-helix	trans	-58.3	-44.3	-178	-170.6	178.2	-64.2	-143.3	7	113.1	K432 E433 I439 L440 R441	K432-R437 PolarHBondContact O-N 2.74Å; E433-R437 VanDerWaalsContact CD-CZ 3.48Å; E433-R437 VanDerWaalsContact CD-NE 3.26Å; E433-R437 WeakPolarHBondContact O-CB 3.45Å; E433-R437 WeakPolarHBondContact OE1-CD 3.3Å; E433-R437 IonicContact OE1-CZ 3.89Å; E433-R437 VanDerWaalsContact OE1-CZ 3.26Å; E433-R437 IonicContact OE1-NE 2.92Å; E433-R437 PolarHBondContact OE1-NE 3.08Å; E433-R437 IonicContact OE1-NH1 2.85Å; E433-R437 IonicContact OE1-NH2 3.19Å; E433-R437 IonicContact OE2-CZ 3.87Å; E433-R437 IonicContact OE2-NE 3.05Å; E433-R437 PolarHBondContact OE2-NE 2.77Å; E433-R437 IonicContact OE2-NH1 3.2Å; E433-R437 IonicContact OE2-NH2 2.71Å; E433-R437 PolarHBondContact OE2-NH2 3.21Å; R437-I439 PolarHBondContact O-N 3.42Å; R437-L440 PolarHBondContact O-N 3.06Å; R437-R441 VanDerWaalsContact O-CB 3.31Å; R437-R441 WeakPolarHBondContact O-CB 3.37Å; R437-R441 PolarHBondContact O-N 2.95Å
438	P	90.9	Very high	87.1	Confident	70 Å²	70	89.6 Å²	89.6	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-61.1	-40	174	-26.2	35.5	0	0	0	114.1	E433 V435 R442	E433-P438 WeakPolarHBondContact O-CD 3.44Å; V435-P438 WeakPolarHBondContact O-CD 3.48Å; P438-R442 PolarHBondContact O-N 2.57Å; P438-R442 VanDerWaalsContact O-N 3.16Å
439	I	92.1	Very high	87.1	Confident	46 Å²	46	87.4 Å²	87.4	24%	0.236	39%	0.389	C	S	.	.	H	α-helix	trans	-64.5	-48.3	178	-64.5	169.9	0	0	0	109.8	V402 V406 V435 M436 R437 R442 H443	V402-I439 HydrophobicContact CG1-CG2 3.58Å; V406-I439 HydrophobicContact CG2-CD1 4.15Å; V435-I439 HydrophobicContact CG1-CD1 4.27Å; V435-I439 WeakPolarHBondContact O-CD1 3.34Å; V435-I439 VanDerWaalsContact O-CG1 3.32Å; V435-I439 WeakPolarHBondContact O-CG1 3.38Å; M436-I439 PolarHBondContact O-N 2.85Å; M436-I439 VanDerWaalsContact O-N 3.15Å; R437-I439 PolarHBondContact O-N 3.42Å; I439-R442 PolarHBondContact O-N 2.97Å; I439-H443 PolarHBondContact O-CD2 3.36Å; I439-H443 PolarHBondContact O-N 2.92Å
440	L	91.7	Very high	87	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.8	-44.5	179.3	-66.9	171.1	0	0	0	111.6	L283 L285 V402 M436 R437 R442 H443 F444 L450 M456	L283-L440 HydrophobicContact CD2-CD1 4.45Å; L283-L440 HydrophobicContact CD2-CD2 4.29Å; L285-L440 HydrophobicContact CD1-CD1 3.9Å; L285-L440 HydrophobicContact CD1-CD2 4.21Å; L285-L440 HydrophobicContact CD2-CD2 3.78Å; V402-L440 HydrophobicContact CB-CD2 4.43Å; V402-L440 HydrophobicContact CG1-CD2 4.01Å; M436-L440 HydrophobicContact CE-CG 4.39Å; M436-L440 VanDerWaalsContact O-CG 3.31Å; M436-L440 WeakPolarHBondContact O-CG 3.46Å; M436-L440 PolarHBondContact O-N 3.31Å; R437-L440 PolarHBondContact O-N 3.06Å; L440-R442 PolarHBondContact O-N 2.82Å; L440-H443 PolarHBondContact O-N 2.93Å; L440-H443 VanDerWaalsContact O-N 3.14Å; L440-F444 HydrophobicContact CB-CD2 4.35Å; L440-F444 HydrophobicContact CD2-CD2 4.26Å; L440-F444 HydrophobicContact CD2-CE2 3.85Å; L440-F444 WeakPolarHBondContact O-CD2 3.32Å; L440-F444 PolarHBondContact O-N 3.18Å; L440-L450 HydrophobicContact CB-CD1 3.86Å; L440-L450 HydrophobicContact CB-CD2 4.12Å; L440-M456 HydrophobicContact CD1-CE 4.16Å; L440-M456 HydrophobicContact CD1-SD 3.7Å
441	R	88.4	Confident	87	Confident	139 Å²	139	75.9 Å²	75.9	53%	0.525	36%	0.359	S	S	.	.	H	α-helix	trans	-56	-39.8	176.6	179.1	-177.6	-179.6	155.6	5.3	111.9	R437 L445 D447 L450	R437-R441 VanDerWaalsContact O-CB 3.31Å; R437-R441 WeakPolarHBondContact O-CB 3.37Å; R437-R441 PolarHBondContact O-N 2.95Å; R441-L445 WeakPolarHBondContact O-CA 3.06Å; R441-L445 PolarHBondContact O-N 2.87Å; R441-L445 VanDerWaalsContact O-N 3.09Å; R441-D447 WeakPolarHBondContact CD-OD1 3.48Å; R441-D447 WeakPolarHBondContact CG-OD1 3.32Å; R441-D447 IonicContact CZ-OD1 3.5Å; R441-D447 IonicContact CZ-OD2 2.88Å; R441-D447 IonicContact NE-OD1 3.21Å; R441-D447 PolarHBondContact NE-OD1 3.29Å; R441-D447 IonicContact NE-OD2 3.4Å; R441-D447 PolarHBondContact NE-OD2 3.32Å; R441-D447 IonicContact NH1-OD1 3.66Å; R441-D447 IonicContact NH1-OD2 2.97Å; R441-D447 PolarHBondContact NH1-OD2 3Å; R441-D447 IonicContact NH2-OD2 3.07Å; R441-D447 PolarHBondContact NH2-OD2 3.4Å; R441-D447 VanDerWaalsContact NH2-OD2 3.07Å; R441-L450 HydrophobicContact CB-CD1 4.39Å
442	R	88	Confident	86.8	Confident	209 Å²	209	79.7 Å²	79.7	79%	0.789	37%	0.373	S	S	*	.	H	α-helix	trans	-67.5	-36.4	-179.9	-162.9	176.5	-170.1	152.2	2	112.6	P438 I439 L440	P438-R442 PolarHBondContact O-N 2.57Å; P438-R442 VanDerWaalsContact O-N 3.16Å; I439-R442 PolarHBondContact O-N 2.97Å; L440-R442 PolarHBondContact O-N 2.82Å
443	H	86.2	Confident	86.9	Confident	100 Å²	100	76.8 Å²	76.8	46%	0.463	36%	0.362	S	S	.	.	H	α-helix	trans	-84.8	-41.5	-178.8	-79.9	-78.6	0	0	0	113.6	V402 I439 L440 L445	V402-H443 HydrophobicContact CG1-CB 4.27Å; V402-H443 VanDerWaalsContact CG1-CD2 3.5Å; V402-H443 WeakPolarHBondContact CG1-CD2 3.42Å; V402-H443 HydrophobicContact CG2-CB 4.11Å; I439-H443 PolarHBondContact O-CD2 3.36Å; I439-H443 PolarHBondContact O-N 2.92Å; L440-H443 PolarHBondContact O-N 2.93Å; L440-H443 VanDerWaalsContact O-N 3.14Å; H443-L445 VanDerWaalsContact C-N 3.26Å; H443-L445 PolarHBondContact O-N 2.68Å
444	F	85	Confident	86.9	Confident	4 Å²	4	75.6 Å²	75.6	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-84.6	-0.5	179	-68.8	-78.1	0	0	0	113.2	L283 T361 L369 L440 R446 F449 L450	L283-F444 HydrophobicContact CD1-CZ 4.25Å; L283-F444 HydrophobicContact CD2-CE2 4.37Å; T361-F444 HydrophobicContact CG2-CE1 3.91Å; L369-F444 HydrophobicContact CD1-CD1 4.41Å; L440-F444 HydrophobicContact CB-CD2 4.35Å; L440-F444 HydrophobicContact CD2-CD2 4.26Å; L440-F444 HydrophobicContact CD2-CE2 3.85Å; L440-F444 WeakPolarHBondContact O-CD2 3.32Å; L440-F444 PolarHBondContact O-N 3.18Å; F444-R446 PolarHBondContact O-N 2.77Å; F444-F449 HydrophobicContact CB-CD1 4.17Å; F444-F449 AromaticContact CD1-CD1 3.91Å; F444-F449 HydrophobicContact CD1-CD1 3.91Å; F444-F449 AromaticContact CD1-CE1 3.69Å; F444-F449 HydrophobicContact CD1-CE1 3.69Å; F444-F449 HydrophobicContact CE1-CE1 4.05Å; F444-F449 HydrophobicContact CG-CD1 4.16Å; F444-F449 HydrophobicContact CG-CE1 4.36Å; F444-L450 HydrophobicContact CD2-CD2 4.17Å; F444-L450 HydrophobicContact CG-CD2 4.49Å
445	L	70.8	Confident	87.1	Confident	121 Å²	121	71.5 Å²	71.5	63%	0.634	34%	0.341	S	S	*	.			trans	58	-0.8	171.3	-64.8	169.4	0	0	0	117	R441 H443	R441-L445 WeakPolarHBondContact O-CA 3.06Å; R441-L445 PolarHBondContact O-N 2.87Å; R441-L445 VanDerWaalsContact O-N 3.09Å; H443-L445 VanDerWaalsContact C-N 3.26Å; H443-L445 PolarHBondContact O-N 2.68Å
446	R	71.7	Confident	87.2	Confident	104 Å²	104	71 Å²	71	39%	0.392	34%	0.336	S	S	.	.			trans	-149.5	131.3	-179.2	-59.4	-174	-174.2	162.6	7.8	111.9	T370 F444 E448 F449	T370-R446 PolarHBondContact OG1-NH1 3.41Å; T370-R446 PolarHBondContact OG1-NH2 3.38Å; F444-R446 PolarHBondContact O-N 2.77Å; R446-E448 VanDerWaalsContact C-N 3.26Å; R446-E448 PolarHBondContact O-N 3.4Å; R446-F449 PolarHBondContact O-N 2.94Å
447	D	76.1	Confident	87.3	Confident	72 Å²	72	71.1 Å²	71.1	39%	0.385	34%	0.337	S	S	.	.	H	α-helix	trans	-65.3	-32.8	173.8	-78.6	-22.3	0	0	0	111.7	R441 F449 L450 G451	R441-D447 WeakPolarHBondContact CD-OD1 3.48Å; R441-D447 WeakPolarHBondContact CG-OD1 3.32Å; R441-D447 IonicContact CZ-OD1 3.5Å; R441-D447 IonicContact CZ-OD2 2.88Å; R441-D447 IonicContact NE-OD1 3.21Å; R441-D447 PolarHBondContact NE-OD1 3.29Å; R441-D447 IonicContact NE-OD2 3.4Å; R441-D447 PolarHBondContact NE-OD2 3.32Å; R441-D447 IonicContact NH1-OD1 3.66Å; R441-D447 IonicContact NH1-OD2 2.97Å; R441-D447 PolarHBondContact NH1-OD2 3Å; R441-D447 IonicContact NH2-OD2 3.07Å; R441-D447 PolarHBondContact NH2-OD2 3.4Å; R441-D447 VanDerWaalsContact NH2-OD2 3.07Å; D447-F449 VanDerWaalsContact C-N 3.27Å; D447-F449 PolarHBondContact O-N 2.95Å; D447-L450 PolarHBondContact O-N 3.38Å; D447-G451 PolarHBondContact O-N 3.28Å
448	E	84.2	Confident	87.6	Confident	138 Å²	138	66.1 Å²	66.1	65%	0.645	32%	0.318	S	S	*	.	H	α-helix	trans	-57.3	-40.1	178.4	-66.2	172.4	179.5	0	0	111.7	R446 L450 G451 R452	R446-E448 VanDerWaalsContact C-N 3.26Å; R446-E448 PolarHBondContact O-N 3.4Å; E448-L450 PolarHBondContact O-N 2.92Å; E448-G451 PolarHBondContact O-N 3.42Å; E448-G451 VanDerWaalsContact O-N 3.16Å; E448-R452 WeakPolarHBondContact O-CG 3.2Å; E448-R452 PolarHBondContact O-N 3.35Å
449	F	85.8	Confident	87.8	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-44.6	178.9	-170.4	-94	0	0	0	112.4	L369 L372 L373 F376 M398 F444 R446 D447 G451 R452 I453	L369-F449 HydrophobicContact CB-CE2 4.33Å; L369-F449 HydrophobicContact CD2-CE2 4.18Å; L369-F449 HydrophobicContact CD2-CZ 4.02Å; L372-F449 HydrophobicContact CB-CE2 4.13Å; L373-F449 HydrophobicContact CD2-CB 3.76Å; L373-F449 HydrophobicContact CD2-CD2 3.52Å; L373-F449 HydrophobicContact CD2-CG 4.07Å; L373-F449 HydrophobicContact CG-CD2 3.78Å; F376-F449 HydrophobicContact CE2-CE2 4.1Å; F376-F449 HydrophobicContact CE2-CZ 4.11Å; M398-F449 HydrophobicContact CE-CE1 3.93Å; M398-F449 HydrophobicContact CE-CZ 4.03Å; M398-F449 HydrophobicContact SD-CE1 3.85Å; M398-F449 HydrophobicContact SD-CZ 3.5Å; M398-F449 VanDerWaalsContact SD-CZ 3.5Å; F444-F449 HydrophobicContact CB-CD1 4.17Å; F444-F449 AromaticContact CD1-CD1 3.91Å; F444-F449 HydrophobicContact CD1-CD1 3.91Å; F444-F449 AromaticContact CD1-CE1 3.69Å; F444-F449 HydrophobicContact CD1-CE1 3.69Å; F444-F449 HydrophobicContact CE1-CE1 4.05Å; F444-F449 HydrophobicContact CG-CD1 4.16Å; F444-F449 HydrophobicContact CG-CE1 4.36Å; R446-F449 PolarHBondContact O-N 2.94Å; D447-F449 VanDerWaalsContact C-N 3.27Å; D447-F449 PolarHBondContact O-N 2.95Å; F449-G451 VanDerWaalsContact C-N 3.25Å; F449-G451 PolarHBondContact O-N 3.46Å; F449-R452 PolarHBondContact O-N 3.28Å; F449-I453 HydrophobicContact CD1-CD1 4.36Å; F449-I453 HydrophobicContact CE1-CD1 4.34Å
450	L	87.1	Confident	87.9	Confident	16 Å²	16	61.4 Å²	61.4	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-30.4	177.3	-60.7	179.7	0	0	0	111.9	L440 R441 F444 D447 E448 R452 I453 M456	L440-L450 HydrophobicContact CB-CD1 3.86Å; L440-L450 HydrophobicContact CB-CD2 4.12Å; R441-L450 HydrophobicContact CB-CD1 4.39Å; F444-L450 HydrophobicContact CD2-CD2 4.17Å; F444-L450 HydrophobicContact CG-CD2 4.49Å; D447-L450 PolarHBondContact O-N 3.38Å; E448-L450 PolarHBondContact O-N 2.92Å; L450-R452 PolarHBondContact O-N 3Å; L450-I453 HydrophobicContact CD2-CD1 3.92Å; L450-I453 PolarHBondContact O-N 3.48Å; L450-M456 HydrophobicContact CB-CE 4.16Å; L450-M456 HydrophobicContact CD2-CE 3.96Å; L450-M456 HydrophobicContact CG-CE 4.49Å
451	G	88.7	Confident	87.9	Confident	64 Å²	64	61.6 Å²	61.6	66%	0.66	29%	0.291	S	S	*	.	H	α-helix	trans	-66.9	-19	177.4	0	0	0	0	0	114.8	D447 E448 F449	D447-G451 PolarHBondContact O-N 3.28Å; E448-G451 PolarHBondContact O-N 3.42Å; E448-G451 VanDerWaalsContact O-N 3.16Å; F449-G451 VanDerWaalsContact C-N 3.25Å; F449-G451 PolarHBondContact O-N 3.46Å
452	R	89.5	Confident	88.1	Confident	96 Å²	96	55.6 Å²	55.6	36%	0.362	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.4	179.1	-57.2	-58.6	-176.2	138.1	11.7	113.9	L373 F376 D377 E448 F449 L450	L373-R452 HydrophobicContact CD2-CG 4.48Å; F376-R452 HydrophobicContact CB-CB 4.11Å; D377-R452 VanDerWaalsContact CG-NH1 3.32Å; D377-R452 WeakPolarHBondContact OD1-CD 3.34Å; D377-R452 WeakPolarHBondContact OD1-CG 3.45Å; D377-R452 IonicContact OD1-CZ 2.71Å; D377-R452 IonicContact OD1-NE 3.8Å; D377-R452 PolarHBondContact OD1-NE 3.11Å; D377-R452 IonicContact OD1-NH1 3.66Å; D377-R452 PolarHBondContact OD1-NH1 3.08Å; D377-R452 VanDerWaalsContact OD1-NH1 3.07Å; D377-R452 IonicContact OD1-NH2 3.31Å; D377-R452 PolarHBondContact OD1-NH2 3.46Å; D377-R452 IonicContact OD2-CZ 2.64Å; D377-R452 IonicContact OD2-NE 3.01Å; D377-R452 PolarHBondContact OD2-NE 3.14Å; D377-R452 IonicContact OD2-NH1 2.75Å; D377-R452 IonicContact OD2-NH2 3.52Å; D377-R452 PolarHBondContact OD2-NH2 2.92Å; E448-R452 WeakPolarHBondContact O-CG 3.2Å; E448-R452 PolarHBondContact O-N 3.35Å; F449-R452 PolarHBondContact O-N 3.28Å; L450-R452 PolarHBondContact O-N 3Å
453	I	92.5	Very high	88.2	Confident	17 Å²	17	45.8 Å²	45.8	9%	0.087	23%	0.232	C	C	.	.			trans	-84.2	119.7	178	-58.2	170.8	0	0	0	108.1	V281 L283 M398 F449 L450 M456	V281-I453 HydrophobicContact CG1-CG1 4.25Å; L283-I453 HydrophobicContact CB-CD1 4.01Å; L283-I453 HydrophobicContact CB-CG2 3.85Å; L283-I453 HydrophobicContact CD2-CD1 3.87Å; L283-I453 HydrophobicContact CG-CD1 4.49Å; M398-I453 HydrophobicContact CE-CD1 3.77Å; M398-I453 HydrophobicContact CE-CG1 3.78Å; F449-I453 HydrophobicContact CD1-CD1 4.36Å; F449-I453 HydrophobicContact CE1-CD1 4.34Å; L450-I453 HydrophobicContact CD2-CD1 3.92Å; L450-I453 PolarHBondContact O-N 3.48Å; I453-M456 HydrophobicContact CD1-CE 4.48Å; I453-M456 HydrophobicContact CG2-CG 4.3Å
454	N	91.6	Very high	88.3	Confident	64 Å²	64	45.5 Å²	45.5	34%	0.342	24%	0.237	S	C	.	.	S	Bend	trans	-67	-44.1	-179.9	-57.4	96.5	0	0	0	111.8	P279 L280 V281	P279-N454 PolarHBondContact O-OD1 2.75Å; L280-N454 WeakPolarHBondContact CA-OD1 3.48Å; V281-N454 PolarHBondContact N-OD1 2.88Å; V281-N454 PolarHBondContact O-N 3.05Å
455	E	93.4	Very high	88.6	Confident	63 Å²	63	48.5 Å²	48.5	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	130.2	-176.4	-61.7	-67.3	173.2	0	0	111.7	T261 R268 V281 F282 L283	T261-E455 HydrophobicContact CG2-CB 4.17Å; T261-E455 HydrophobicContact CG2-CG 4.33Å; R268-E455 IonicContact NH2-OE1 3.68Å; R268-E455 PolarHBondContact NH2-OE1 3.15Å; V281-E455 PolarHBondContact O-N 3.45Å; F282-E455 WeakPolarHBondContact CA-O 3.22Å; F282-E455 HydrophobicContact CD1-CB 3.86Å; F282-E455 HydrophobicContact CE1-CB 4.05Å; F282-E455 HydrophobicContact CE1-CG 4.26Å; L283-E455 PolarHBondContact N-O 2.96Å; L283-E455 VanDerWaalsContact N-O 3.08Å
456	M	94.5	Very high	89.7	Confident	43 Å²	43	43.9 Å²	43.9	21%	0.212	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.2	168	-63.5	-176.7	-173.1	0	0	109.4	L283 L440 L450 I453 Y458	L283-M456 HydrophobicContact CB-CG 4.43Å; L283-M456 HydrophobicContact CD2-CG 4.46Å; L440-M456 HydrophobicContact CD1-CE 4.16Å; L440-M456 HydrophobicContact CD1-SD 3.7Å; L450-M456 HydrophobicContact CB-CE 4.16Å; L450-M456 HydrophobicContact CD2-CE 3.96Å; L450-M456 HydrophobicContact CG-CE 4.49Å; I453-M456 HydrophobicContact CD1-CE 4.48Å; I453-M456 HydrophobicContact CG2-CG 4.3Å; M456-Y458 HydrophobicContact CB-CE2 3.96Å
457	V	96.1	Very high	90.7	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.2	-175.8	-172.5	0	0	0	0	109	A258 T261 V262 F282 L283 F284 L285 F459	A258-V457 HydrophobicContact CB-CG1 3.45Å; A258-V457 VanDerWaalsContact CB-CG1 3.45Å; T261-V457 HydrophobicContact CG2-CG2 4.04Å; V262-V457 HydrophobicContact CG2-CG1 4.33Å; V262-V457 HydrophobicContact CG2-CG2 3.95Å; F282-V457 HydrophobicContact CD1-CG2 4.05Å; L283-V457 PolarHBondContact O-N 3.2Å; F284-V457 WeakPolarHBondContact CA-O 3.41Å; F284-V457 HydrophobicContact CD1-CB 3.63Å; F284-V457 HydrophobicContact CD1-CG1 4.31Å; F284-V457 HydrophobicContact CD1-CG2 3.89Å; F284-V457 HydrophobicContact CE1-CB 3.89Å; F284-V457 HydrophobicContact CE1-CG1 4.33Å; F284-V457 HydrophobicContact CE1-CG2 3.73Å; L285-V457 PolarHBondContact N-O 2.92Å; V457-F459 HydrophobicContact CB-CE2 4.35Å; V457-F459 HydrophobicContact CG1-CD2 4.38Å; V457-F459 HydrophobicContact CG1-CE2 3.84Å
458	Y	95.5	Very high	91.6	Very high	18 Å²	18	38 Å²	38	7%	0.071	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.5	-177.1	-62	-94.5	0	0	0	110.4	L285 I407 I427 K432 M436 M456	L285-Y458 HydrophobicContact CB-CD1 4.1Å; L285-Y458 HydrophobicContact CB-CE1 4.42Å; L285-Y458 HydrophobicContact CD1-CD1 4.08Å; L285-Y458 HydrophobicContact CD1-CE1 3.57Å; I407-Y458 HydrophobicContact CD1-CD1 3.9Å; I407-Y458 HydrophobicContact CD1-CE1 4.36Å; I407-Y458 HydrophobicContact CG1-CD1 4.24Å; I427-Y458 HydrophobicContact CD1-CD1 3.62Å; I427-Y458 HydrophobicContact CD1-CD2 4.24Å; I427-Y458 HydrophobicContact CD1-CE1 4.44Å; I427-Y458 HydrophobicContact CD1-CG 3.49Å; I427-Y458 VanDerWaalsContact CD1-CG 3.49Å; I427-Y458 HydrophobicContact CG1-CG 4.47Å; K432-Y458 HydrophobicContact CD-CD2 4.44Å; K432-Y458 HydrophobicContact CD-CE2 3.64Å; K432-Y458 VanDerWaalsContact CE-CE2 3.47Å; K432-Y458 HydrophobicContact CG-CE2 3.76Å; M436-Y458 HydrophobicContact CB-CE1 4.33Å; M436-Y458 HydrophobicContact CE-CE1 4.23Å; M436-Y458 HydrophobicContact CG-CE1 3.88Å; M456-Y458 HydrophobicContact CB-CE2 3.96Å
459	F	95.6	Very high	92.1	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-102.7	122.5	176.1	-70.3	-108.6	0	0	0	108.8	Q255 A258 F284 L285 I290 K292 L295 V457	Q255-F459 HydrophobicContact CG-CD1 4.09Å; Q255-F459 VanDerWaalsContact OE1-CA 3.27Å; A258-F459 HydrophobicContact CB-CD1 4.48Å; A258-F459 HydrophobicContact CB-CE1 4.22Å; A258-F459 HydrophobicContact CB-CE2 4.31Å; A258-F459 HydrophobicContact CB-CZ 4.14Å; F284-F459 HydrophobicContact CB-CD2 4.28Å; F284-F459 HydrophobicContact CB-CE2 3.66Å; F284-F459 HydrophobicContact CB-CZ 4.47Å; F284-F459 HydrophobicContact CD1-CE2 4.05Å; F284-F459 AromaticContact CD2-CE2 3.71Å; F284-F459 HydrophobicContact CD2-CE2 3.71Å; F284-F459 AromaticContact CD2-CZ 3.72Å; F284-F459 HydrophobicContact CD2-CZ 3.72Å; F284-F459 HydrophobicContact CE2-CE2 4.33Å; F284-F459 HydrophobicContact CE2-CZ 4.02Å; F284-F459 AromaticContact CG-CE2 3.54Å; F284-F459 HydrophobicContact CG-CE2 3.54Å; F284-F459 HydrophobicContact CG-CZ 4.05Å; L285-F459 WeakPolarHBondContact O-CB 3.29Å; L285-F459 PolarHBondContact O-N 3.07Å; I290-F459 HydrophobicContact CB-CB 4.41Å; I290-F459 HydrophobicContact CG1-CB 4.15Å; I290-F459 HydrophobicContact CG2-CB 3.41Å; I290-F459 VanDerWaalsContact CG2-CB 3.41Å; I290-F459 HydrophobicContact CG2-CD1 3.96Å; I290-F459 HydrophobicContact CG2-CG 3.92Å; K292-F459 HydrophobicContact CB-CE2 4.49Å; K292-F459 HydrophobicContact CB-CZ 4.37Å; K292-F459 HydrophobicContact CD-CD2 4.33Å; K292-F459 HydrophobicContact CG-CB 4.46Å; K292-F459 HydrophobicContact CG-CD1 4.08Å; K292-F459 HydrophobicContact CG-CD2 3.7Å; K292-F459 HydrophobicContact CG-CE1 4.19Å; K292-F459 HydrophobicContact CG-CE2 3.85Å; K292-F459 HydrophobicContact CG-CG 3.82Å; K292-F459 HydrophobicContact CG-CZ 4.06Å; L295-F459 HydrophobicContact CB-CE1 4.39Å; L295-F459 HydrophobicContact CB-CZ 4.23Å; L295-F459 HydrophobicContact CD2-CE1 4.1Å; L295-F459 HydrophobicContact CD2-CZ 3.55Å; V457-F459 HydrophobicContact CB-CE2 4.35Å; V457-F459 HydrophobicContact CG1-CD2 4.38Å; V457-F459 HydrophobicContact CG1-CE2 3.84Å
460	L	93.1	Very high	92.5	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.084	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-93.4	151.8	-176	-53.2	-175.7	0	0	0	109.9	Q255 I290 I407 A411 I425 I427	Q255-L460 PolarHBondContact NE2-O 3.46Å; Q255-L460 VanDerWaalsContact OE1-N 3.08Å; I290-L460 WeakPolarHBondContact CD1-O 3.33Å; I290-L460 VanDerWaalsContact CG1-O 3.23Å; I290-L460 WeakPolarHBondContact CG1-O 3.4Å; I407-L460 HydrophobicContact CG2-CD2 4.06Å; A411-L460 HydrophobicContact CB-CB 4.31Å; A411-L460 HydrophobicContact CB-CD2 4.05Å; I425-L460 HydrophobicContact CB-CD1 4.09Å; I425-L460 HydrophobicContact CG2-CD1 3.9Å; I425-L460 WeakPolarHBondContact O-CD1 3.43Å; I427-L460 HydrophobicContact CD1-CD2 3.77Å; I427-L460 HydrophobicContact CG1-CD2 3.92Å
461	P	92.5	Very high	92.9	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.032	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-50.5	147.3	169.5	-26.3	35.3	0	0	0	111.8	A408 A411 R415 V506	A408-P461 HydrophobicContact CB-CG 3.61Å; A411-P461 HydrophobicContact CB-CG 4.49Å; R415-P461 PolarHBondContact NH1-O 2.88Å; R415-P461 PolarHBondContact NH2-O 3.31Å; P461-V506 HydrophobicContact CB-CG1 4.05Å; P461-V506 HydrophobicContact CG-CG1 3.9Å
462	F	92.5	Very high	93.3	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.053	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-65.5	144.9	179.8	-63.8	-67.7	0	0	0	112.4	Q255 I290 R415 E466 L467 L470 Y504 A510	Q255-F462 HydrophobicContact CG-CE1 4.45Å; I290-F462 HydrophobicContact CD1-CD1 4.3Å; I290-F462 HydrophobicContact CD1-CD2 3.48Å; I290-F462 VanDerWaalsContact CD1-CD2 3.48Å; I290-F462 HydrophobicContact CD1-CE1 4.18Å; I290-F462 HydrophobicContact CD1-CE2 3.35Å; I290-F462 HydrophobicContact CD1-CG 3.97Å; I290-F462 HydrophobicContact CD1-CZ 3.72Å; I290-F462 HydrophobicContact CG1-CE2 4.14Å; I290-F462 HydrophobicContact CG1-CZ 4.07Å; I290-F462 WeakPolarHBondContact O-CZ 3.35Å; R415-F462 VanDerWaalsContact NH1-C 3.32Å; R415-F462 PolarHBondContact NH1-O 3.16Å; F462-E466 WeakPolarHBondContact CA-OE2 3.24Å; F462-E466 HydrophobicContact CB-CB 4.12Å; F462-E466 HydrophobicContact CD1-CB 4.12Å; F462-L467 HydrophobicContact CB-CD2 3.6Å; F462-L467 HydrophobicContact CB-CG 3.67Å; F462-L467 HydrophobicContact CD2-CD2 4.11Å; F462-L467 HydrophobicContact CG-CD2 4.19Å; F462-L470 HydrophobicContact CD1-CD1 3.78Å; F462-L470 HydrophobicContact CD2-CD1 3.68Å; F462-L470 HydrophobicContact CE1-CD1 3.77Å; F462-L470 HydrophobicContact CE2-CD1 3.64Å; F462-L470 HydrophobicContact CG-CD1 3.74Å; F462-L470 HydrophobicContact CZ-CD1 3.7Å; F462-Y504 HydrophobicContact CD2-CE2 4.08Å; F462-Y504 PolarHBondContact N-OH 2.91Å; F462-A510 HydrophobicContact CE2-CB 3.92Å; F462-A510 HydrophobicContact CZ-CB 4.45Å
463	S	89.8	Confident	93.5	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.028	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-76.5	169.1	167.7	73.8	0	0	0	0	111	E422 S465 E466 L467	E422-S463 VanDerWaalsContact OE2-CB 3.32Å; E422-S463 WeakPolarHBondContact OE2-CB 3.42Å; E422-S463 PolarHBondContact OE2-OG 2.71Å; E422-S463 VanDerWaalsContact OE2-OG 3.04Å; S463-S465 VanDerWaalsContact C-N 3.29Å; S463-S465 PolarHBondContact O-N 2.95Å; S463-S465 PolarHBondContact OG-OG 3.4Å; S463-E466 PolarHBondContact N-OE2 2.93Å; S463-E466 PolarHBondContact O-N 2.96Å; S463-E466 WeakPolarHBondContact OG-CG 3.21Å; S463-E466 PolarHBondContact OG-N 3.32Å; S463-L467 WeakPolarHBondContact O-CB 3.44Å; S463-L467 WeakPolarHBondContact O-CG 3.38Å; S463-L467 PolarHBondContact O-N 2.94Å
464	T	89.5	Confident	93.6	Very high	94 Å²	94	34.9 Å²	34.9	58%	0.577	18%	0.184	S	C	*	.	H	α-helix	trans	-61.9	-40.3	178.5	51.5	0	0	0	0	111.5	L467 T468	T464-L467 PolarHBondContact O-N 3.4Å; T464-T468 PolarHBondContact O-N 2.92Å; T464-T468 PolarHBondContact O-OG1 2.79Å
465	S	91	Very high	93.8	Very high	66 Å²	66	32 Å²	32	46%	0.462	17%	0.169	S	C	.	.	H	α-helix	trans	-63.5	-44.9	176.8	60.7	0	0	0	0	112.2	E422 S463 L467 T468 E469	E422-S465 PolarHBondContact OE2-OG 3.35Å; S463-S465 VanDerWaalsContact C-N 3.29Å; S463-S465 PolarHBondContact O-N 2.95Å; S463-S465 PolarHBondContact OG-OG 3.4Å; S465-L467 PolarHBondContact O-N 3.46Å; S465-T468 PolarHBondContact O-N 3.42Å; S465-E469 PolarHBondContact O-N 3.25Å; S465-E469 VanDerWaalsContact O-N 3.09Å
466	E	92.7	Very high	93.9	Very high	24 Å²	24	34.8 Å²	34.8	11%	0.112	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-40.3	174.6	-70	172	164.3	0	0	111.8	V253 G254 R415 F462 S463 E469 L470	V253-E466 HydrophobicContact CG1-CB 3.97Å; V253-E466 HydrophobicContact CG1-CG 4.28Å; V253-E466 WeakPolarHBondContact CG1-O 3.25Å; G254-E466 WeakPolarHBondContact CA-OE1 3.18Å; R415-E466 IonicContact NH2-OE2 2.95Å; F462-E466 WeakPolarHBondContact CA-OE2 3.24Å; F462-E466 HydrophobicContact CB-CB 4.12Å; F462-E466 HydrophobicContact CD1-CB 4.12Å; S463-E466 PolarHBondContact N-OE2 2.93Å; S463-E466 PolarHBondContact O-N 2.96Å; S463-E466 WeakPolarHBondContact OG-CG 3.21Å; S463-E466 PolarHBondContact OG-N 3.32Å; E466-E469 PolarHBondContact O-N 3.37Å; E466-L470 WeakPolarHBondContact O-CG 3.4Å; E466-L470 PolarHBondContact O-N 2.86Å
467	L	93.8	Very high	94	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-45.4	176.1	-71.4	170.9	0	0	0	111.9	F462 S463 T464 S465 E469 L470 V471 V501 Y504 I513	F462-L467 HydrophobicContact CB-CD2 3.6Å; F462-L467 HydrophobicContact CB-CG 3.67Å; F462-L467 HydrophobicContact CD2-CD2 4.11Å; F462-L467 HydrophobicContact CG-CD2 4.19Å; S463-L467 WeakPolarHBondContact O-CB 3.44Å; S463-L467 WeakPolarHBondContact O-CG 3.38Å; S463-L467 PolarHBondContact O-N 2.94Å; T464-L467 PolarHBondContact O-N 3.4Å; S465-L467 PolarHBondContact O-N 3.46Å; L467-E469 VanDerWaalsContact C-N 3.26Å; L467-E469 PolarHBondContact O-N 2.98Å; L467-L470 HydrophobicContact CD2-CD1 4.45Å; L467-L470 PolarHBondContact O-N 3.13Å; L467-V471 VanDerWaalsContact O-CG2 3.3Å; L467-V471 WeakPolarHBondContact O-CG2 3.42Å; L467-V471 PolarHBondContact O-N 2.67Å; L467-V501 HydrophobicContact CB-CG1 3.92Å; L467-V501 HydrophobicContact CB-CG2 4Å; L467-V501 HydrophobicContact CD1-CG1 4.02Å; L467-Y504 HydrophobicContact CD1-CD1 3.54Å; L467-Y504 HydrophobicContact CD1-CD2 4.22Å; L467-Y504 HydrophobicContact CD1-CE1 4.01Å; L467-Y504 HydrophobicContact CD1-CG 3.65Å; L467-Y504 HydrophobicContact CD2-CD1 4.18Å; L467-Y504 HydrophobicContact CD2-CD2 3.36Å; L467-Y504 HydrophobicContact CD2-CE1 4.34Å; L467-Y504 HydrophobicContact CD2-CE2 3.55Å; L467-Y504 HydrophobicContact CD2-CG 3.69Å; L467-Y504 HydrophobicContact CG-CD1 4.5Å; L467-Y504 HydrophobicContact CG-CD2 4.44Å; L467-Y504 HydrophobicContact CG-CG 4.34Å; L467-I513 HydrophobicContact CD2-CD1 4.28Å; L467-I513 HydrophobicContact CD2-CG1 4.18Å
468	T	94.8	Very high	94	Very high	47 Å²	47	38 Å²	38	29%	0.288	20%	0.197	S	C	.	.	H	α-helix	trans	-56.9	-42.4	174.8	-56.8	0	0	0	0	111	T464 S465 N472 V497	T464-T468 PolarHBondContact O-N 2.92Å; T464-T468 PolarHBondContact O-OG1 2.79Å; S465-T468 PolarHBondContact O-N 3.42Å; T468-N472 PolarHBondContact O-N 3.11Å; T468-N472 VanDerWaalsContact O-N 3.08Å; T468-N472 PolarHBondContact O-ND2 3.39Å; T468-V497 HydrophobicContact CG2-CG1 3.61Å
469	E	94.2	Very high	94	Very high	80 Å²	80	38.1 Å²	38.1	37%	0.374	20%	0.201	S	C	.	.	H	α-helix	trans	-65.3	-45.5	176.6	-177.2	174.6	-173.5	0	0	112.1	V253 S465 E466 L467 V471 N472 R473	V253-E469 HydrophobicContact CG1-CB 4Å; V253-E469 HydrophobicContact CG1-CG 4.11Å; V253-E469 HydrophobicContact CG2-CG 4Å; S465-E469 PolarHBondContact O-N 3.25Å; S465-E469 VanDerWaalsContact O-N 3.09Å; E466-E469 PolarHBondContact O-N 3.37Å; L467-E469 VanDerWaalsContact C-N 3.26Å; L467-E469 PolarHBondContact O-N 2.98Å; E469-V471 VanDerWaalsContact C-N 3.34Å; E469-V471 PolarHBondContact O-N 3.14Å; E469-N472 PolarHBondContact O-N 3.06Å; E469-R473 HydrophobicContact CG-CG 4.38Å; E469-R473 WeakPolarHBondContact O-CG 3.27Å; E469-R473 PolarHBondContact O-N 2.95Å; E469-R473 IonicContact OE1-CZ 3.65Å; E469-R473 IonicContact OE1-NE 3.68Å; E469-R473 PolarHBondContact OE1-NE 3.01Å; E469-R473 IonicContact OE1-NH2 2.73Å; E469-R473 PolarHBondContact OE1-NH2 2.82Å
470	L	94.2	Very high	94	Very high	30 Å²	30	43.4 Å²	43.4	16%	0.157	23%	0.226	C	C	.	.	H	α-helix	trans	-58.1	-45.4	177	-78.1	170.1	0	0	0	112.1	V253 F462 E466 L467 R473 S474 A510	V253-L470 HydrophobicContact CB-CD2 3.8Å; V253-L470 HydrophobicContact CB-CG 3.95Å; V253-L470 HydrophobicContact CG1-CD2 4.44Å; V253-L470 HydrophobicContact CG1-CG 4.02Å; V253-L470 HydrophobicContact CG2-CD2 3.68Å; V253-L470 HydrophobicContact CG2-CG 4.07Å; F462-L470 HydrophobicContact CD1-CD1 3.78Å; F462-L470 HydrophobicContact CD2-CD1 3.68Å; F462-L470 HydrophobicContact CE1-CD1 3.77Å; F462-L470 HydrophobicContact CE2-CD1 3.64Å; F462-L470 HydrophobicContact CG-CD1 3.74Å; F462-L470 HydrophobicContact CZ-CD1 3.7Å; E466-L470 WeakPolarHBondContact O-CG 3.4Å; E466-L470 PolarHBondContact O-N 2.86Å; L467-L470 HydrophobicContact CD2-CD1 4.45Å; L467-L470 PolarHBondContact O-N 3.13Å; L470-R473 PolarHBondContact O-N 3.16Å; L470-S474 WeakPolarHBondContact O-CB 3.4Å; L470-S474 PolarHBondContact O-N 2.8Å; L470-A510 HydrophobicContact CD1-CB 4.19Å
471	V	96	Very high	94.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-49.2	176.9	173.4	0	0	0	0	110.3	L467 E469 R473 S474 L475 V497 I500 V501 I513 I517	L467-V471 VanDerWaalsContact O-CG2 3.3Å; L467-V471 WeakPolarHBondContact O-CG2 3.42Å; L467-V471 PolarHBondContact O-N 2.67Å; E469-V471 VanDerWaalsContact C-N 3.34Å; E469-V471 PolarHBondContact O-N 3.14Å; V471-R473 PolarHBondContact O-N 3.4Å; V471-S474 PolarHBondContact O-N 3.47Å; V471-L475 HydrophobicContact CG1-CD1 3.75Å; V471-L475 HydrophobicContact CG1-CG 4.22Å; V471-L475 WeakPolarHBondContact O-CB 3.4Å; V471-L475 WeakPolarHBondContact O-CG 3.47Å; V471-L475 PolarHBondContact O-N 3.3Å; V471-V497 HydrophobicContact CB-CG1 4.05Å; V471-V497 HydrophobicContact CG1-CB 4.32Å; V471-V497 HydrophobicContact CG1-CG1 3.92Å; V471-V497 HydrophobicContact CG1-CG2 4.28Å; V471-I500 HydrophobicContact CG1-CB 4.16Å; V471-I500 HydrophobicContact CG1-CG2 4.07Å; V471-I500 HydrophobicContact CG2-CB 4.25Å; V471-I500 HydrophobicContact CG2-CG2 3.67Å; V471-V501 HydrophobicContact CG2-CG2 3.9Å; V471-I513 HydrophobicContact CB-CG2 4.45Å; V471-I513 HydrophobicContact CG2-CD1 4.1Å; V471-I513 HydrophobicContact CG2-CG2 3.55Å; V471-I517 HydrophobicContact CG1-CD1 4.4Å
472	N	96.2	Very high	94.1	Very high	58 Å²	58	47.4 Å²	47.4	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-41.1	178.9	-79.7	-51.5	0	0	0	112.6	T468 E469 K476 W492	T468-N472 PolarHBondContact O-N 3.11Å; T468-N472 VanDerWaalsContact O-N 3.08Å; T468-N472 PolarHBondContact O-ND2 3.39Å; E469-N472 PolarHBondContact O-N 3.06Å; N472-K476 VanDerWaalsContact O-CB 3.25Å; N472-K476 WeakPolarHBondContact O-CB 3.29Å; N472-K476 PolarHBondContact O-N 3.49Å; N472-W492 PolarHBondContact OD1-NE1 3.08Å
473	R	94.4	Very high	94.2	Very high	82 Å²	82	51.5 Å²	51.5	31%	0.309	27%	0.266	S	S	.	.	H	α-helix	trans	-63.8	-42.6	175.8	-72.9	-176.4	-176.7	-160.8	2.9	111.5	K250 V251 V253 E469 L470 V471 K476 S477	K250-R473 PolarHBondContact O-NH1 3.01Å; V251-R473 VanDerWaalsContact C-NH1 3.26Å; V251-R473 PolarHBondContact O-NH1 2.88Å; V253-R473 VanDerWaalsContact CG2-CZ 3.41Å; E469-R473 HydrophobicContact CG-CG 4.38Å; E469-R473 WeakPolarHBondContact O-CG 3.27Å; E469-R473 PolarHBondContact O-N 2.95Å; E469-R473 IonicContact OE1-CZ 3.65Å; E469-R473 IonicContact OE1-NE 3.68Å; E469-R473 PolarHBondContact OE1-NE 3.01Å; E469-R473 IonicContact OE1-NH2 2.73Å; E469-R473 PolarHBondContact OE1-NH2 2.82Å; L470-R473 PolarHBondContact O-N 3.16Å; V471-R473 PolarHBondContact O-N 3.4Å; R473-K476 PolarHBondContact O-N 2.89Å; R473-S477 PolarHBondContact O-N 2.88Å
474	S	94.4	Very high	94.5	Very high	16 Å²	16	60.2 Å²	60.2	11%	0.112	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-46.6	177.9	-170.8	0	0	0	0	111.7	L470 V471 K476 S477 W478 N514 I517	L470-S474 WeakPolarHBondContact O-CB 3.4Å; L470-S474 PolarHBondContact O-N 2.8Å; V471-S474 PolarHBondContact O-N 3.47Å; S474-K476 VanDerWaalsContact C-N 3.32Å; S474-K476 PolarHBondContact O-N 2.95Å; S474-S477 WeakPolarHBondContact O-CB 3.4Å; S474-S477 PolarHBondContact O-N 3.37Å; S474-S477 VanDerWaalsContact O-N 3.16Å; S474-W478 VanDerWaalsContact O-CD1 3.3Å; S474-W478 PolarHBondContact O-N 3.11Å; S474-N514 PolarHBondContact OG-OD1 2.89Å; S474-I517 WeakPolarHBondContact OG-CD1 3.14Å
475	L	96.1	Very high	94.7	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-39.1	175.3	-70.6	175.8	0	0	0	112.4	V471 W478 S479 W492 I517 I521	V471-L475 HydrophobicContact CG1-CD1 3.75Å; V471-L475 HydrophobicContact CG1-CG 4.22Å; V471-L475 WeakPolarHBondContact O-CB 3.4Å; V471-L475 WeakPolarHBondContact O-CG 3.47Å; V471-L475 PolarHBondContact O-N 3.3Å; L475-W478 PolarHBondContact O-N 2.67Å; L475-S479 PolarHBondContact O-N 3.04Å; L475-W492 HydrophobicContact CB-CD2 4Å; L475-W492 HydrophobicContact CB-CE3 4.11Å; L475-W492 HydrophobicContact CB-CH2 3.72Å; L475-W492 HydrophobicContact CB-CZ2 3.55Å; L475-W492 HydrophobicContact CB-CZ3 3.99Å; L475-W492 HydrophobicContact CD1-CD2 3.85Å; L475-W492 HydrophobicContact CD1-CG 3.82Å; L475-W492 HydrophobicContact CD1-CZ2 4.43Å; L475-W492 HydrophobicContact CG-CD2 4.49Å; L475-I517 HydrophobicContact CD2-CD1 4.32Å; L475-I517 HydrophobicContact CD2-CG1 4.32Å; L475-I517 HydrophobicContact CD2-CG2 3.89Å; L475-I517 HydrophobicContact CG-CD1 4.28Å; L475-I521 HydrophobicContact CD2-CD1 3.63Å
476	K	96.1	Very high	94.7	Very high	120 Å²	120	66.2 Å²	66.2	52%	0.522	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-42	173.6	-173.9	178	177.7	-178.6	0	112.3	N472 R473 S474 W478 S479 E480 W492	N472-K476 VanDerWaalsContact O-CB 3.25Å; N472-K476 WeakPolarHBondContact O-CB 3.29Å; N472-K476 PolarHBondContact O-N 3.49Å; R473-K476 PolarHBondContact O-N 2.89Å; S474-K476 VanDerWaalsContact C-N 3.32Å; S474-K476 PolarHBondContact O-N 2.95Å; K476-W478 VanDerWaalsContact C-N 3.27Å; K476-W478 PolarHBondContact O-N 3.44Å; K476-S479 WeakPolarHBondContact CA-OG 3.47Å; K476-S479 PolarHBondContact O-N 3.04Å; K476-S479 PolarHBondContact O-OG 3.26Å; K476-E480 WeakPolarHBondContact CE-OE1 3.43Å; K476-E480 WeakPolarHBondContact O-CG 3.43Å; K476-E480 PolarHBondContact O-N 3.45Å; K476-W492 HydrophobicContact CB-CH2 4.21Å
477	S	95.2	Very high	94.7	Very high	50 Å²	50	68.2 Å²	68.2	35%	0.35	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-41.2	174.3	-170.1	0	0	0	0	111.6	R473 S474 K481	R473-S477 PolarHBondContact O-N 2.88Å; S474-S477 WeakPolarHBondContact O-CB 3.4Å; S474-S477 PolarHBondContact O-N 3.37Å; S474-S477 VanDerWaalsContact O-N 3.16Å; S477-K481 VanDerWaalsContact O-CG 3.31Å; S477-K481 WeakPolarHBondContact O-CG 3.15Å; S477-K481 PolarHBondContact O-N 3.34Å; S477-K481 VanDerWaalsContact O-N 3.11Å
478	W	95.6	Very high	94.6	Very high	63 Å²	63	68.3 Å²	68.3	24%	0.239	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-39.3	175.3	-82.2	113.2	0	0	0	113.1	S474 L475 K476 K481 A482 E518 I522	S474-W478 VanDerWaalsContact O-CD1 3.3Å; S474-W478 PolarHBondContact O-N 3.11Å; L475-W478 PolarHBondContact O-N 2.67Å; K476-W478 VanDerWaalsContact C-N 3.27Å; K476-W478 PolarHBondContact O-N 3.44Å; W478-K481 HydrophobicContact CE3-CD 4.05Å; W478-K481 HydrophobicContact CZ3-CD 4.29Å; W478-K481 PolarHBondContact O-N 2.89Å; W478-A482 WeakPolarHBondContact O-CB 3.32Å; W478-A482 PolarHBondContact O-N 2.77Å; W478-E518 HydrophobicContact CZ2-CG 3.92Å; W478-I522 HydrophobicContact CB-CD1 4.13Å; W478-I522 HydrophobicContact CD2-CD1 3.5Å; W478-I522 VanDerWaalsContact CD2-CD1 3.5Å; W478-I522 HydrophobicContact CD2-CG1 3.97Å; W478-I522 HydrophobicContact CE3-CD1 3.66Å; W478-I522 HydrophobicContact CE3-CG1 4.25Å; W478-I522 HydrophobicContact CG-CD1 3.73Å; W478-I522 HydrophobicContact CG-CG1 4.42Å; W478-I522 HydrophobicContact CH2-CG1 4.38Å; W478-I522 HydrophobicContact CH2-CG2 4.23Å; W478-I522 HydrophobicContact CZ2-CG1 4.12Å; W478-I522 HydrophobicContact CZ3-CD1 4.23Å; W478-I522 HydrophobicContact CZ3-CG1 4.45Å; W478-I522 HydrophobicContact CZ3-CG2 4.23Å
479	S	95.6	Very high	94.6	Very high	20 Å²	20	69 Å²	69	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-65.9	-39.2	177.6	73.8	0	0	0	0	112.3	L475 K476 A482 L483	L475-S479 PolarHBondContact O-N 3.04Å; K476-S479 WeakPolarHBondContact CA-OG 3.47Å; K476-S479 PolarHBondContact O-N 3.04Å; K476-S479 PolarHBondContact O-OG 3.26Å; S479-A482 PolarHBondContact O-N 3.22Å; S479-L483 WeakPolarHBondContact O-CB 3.39Å; S479-L483 PolarHBondContact O-N 3.45Å
480	E	96.3	Very high	94.6	Very high	113 Å²	113	66 Å²	66	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-41.7	173.4	-71.8	172.4	-171.6	0	0	111.9	K476 L483 K484	K476-E480 WeakPolarHBondContact CE-OE1 3.43Å; K476-E480 WeakPolarHBondContact O-CG 3.43Å; K476-E480 PolarHBondContact O-N 3.45Å; E480-L483 PolarHBondContact O-N 3.32Å; E480-K484 WeakPolarHBondContact O-CB 3.19Å; E480-K484 PolarHBondContact O-N 3.28Å
481	K	95	Very high	94.6	Very high	93 Å²	93	67.8 Å²	67.8	40%	0.404	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-43.9	174	-74.2	171.9	-173.4	171.3	0	111.7	S477 W478 K484 R485	S477-K481 VanDerWaalsContact O-CG 3.31Å; S477-K481 WeakPolarHBondContact O-CG 3.15Å; S477-K481 PolarHBondContact O-N 3.34Å; S477-K481 VanDerWaalsContact O-N 3.11Å; W478-K481 HydrophobicContact CE3-CD 4.05Å; W478-K481 HydrophobicContact CZ3-CD 4.29Å; W478-K481 PolarHBondContact O-N 2.89Å; K481-K484 PolarHBondContact O-N 2.89Å; K481-R485 WeakPolarHBondContact O-CB 3.2Å; K481-R485 PolarHBondContact O-N 2.84Å
482	A	93.8	Very high	94.6	Very high	12 Å²	12	70.7 Å²	70.7	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-41.7	179.2	0	0	0	0	0	111.9	W478 S479 H486 S487 L488 I490	W478-A482 WeakPolarHBondContact O-CB 3.32Å; W478-A482 PolarHBondContact O-N 2.77Å; S479-A482 PolarHBondContact O-N 3.22Å; A482-H486 CarbonylContact O-C 3.56Å; A482-H486 WeakPolarHBondContact O-CA 3.23Å; A482-H486 WeakPolarHBondContact O-CB 3.31Å; A482-H486 PolarHBondContact O-N 3.41Å; A482-S487 PolarHBondContact O-N 3.05Å; A482-L488 HydrophobicContact CB-CB 4.39Å; A482-L488 PolarHBondContact O-N 2.77Å; A482-I490 HydrophobicContact CB-CD1 3.35Å; A482-I490 HydrophobicContact CB-CG1 4.04Å
483	L	94.3	Very high	94.4	Very high	98 Å²	98	70.7 Å²	70.7	51%	0.513	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-44.7	175.4	-175.4	64.6	0	0	0	111.4	S479 E480 S487 L488	S479-L483 WeakPolarHBondContact O-CB 3.39Å; S479-L483 PolarHBondContact O-N 3.45Å; E480-L483 PolarHBondContact O-N 3.32Å; L483-S487 VanDerWaalsContact O-CA 3.24Å; L483-S487 WeakPolarHBondContact O-CA 3.31Å; L483-S487 PolarHBondContact O-N 2.69Å; L483-S487 VanDerWaalsContact O-N 3.15Å; L483-L488 VanDerWaalsContact CA-O 3.26Å; L483-L488 WeakPolarHBondContact CA-O 3.12Å; L483-L488 PolarHBondContact N-O 2.99Å
484	K	94.8	Very high	94.3	Very high	187 Å²	187	76.1 Å²	76.1	81%	0.813	36%	0.36	S	S	*	.	H	α-helix	trans	-70	-38.2	-178.1	-174.4	174.8	-179.6	176.3	0	113.5	E480 K481	E480-K484 WeakPolarHBondContact O-CB 3.19Å; E480-K484 PolarHBondContact O-N 3.28Å; K481-K484 PolarHBondContact O-N 2.89Å
485	R	93.7	Very high	94.1	Very high	202 Å²	202	79 Å²	79	76%	0.762	37%	0.371	S	S	*	.	H	α-helix	trans	-94.9	-37.3	-173	-69.2	-175.2	176.3	-172.8	-1.5	113.7	K481	K481-R485 WeakPolarHBondContact O-CB 3.2Å; K481-R485 PolarHBondContact O-N 2.84Å
486	H	91.8	Very high	93.9	Very high	84 Å²	84	78.7 Å²	78.7	39%	0.389	37%	0.37	S	S	.	.	H	α-helix	trans	-118.1	-0.7	-172.6	-57.3	-93	0	0	0	112.6	A482 L488 D529	A482-H486 CarbonylContact O-C 3.56Å; A482-H486 WeakPolarHBondContact O-CA 3.23Å; A482-H486 WeakPolarHBondContact O-CB 3.31Å; A482-H486 PolarHBondContact O-N 3.41Å; H486-L488 HydrophobicContact CB-CB 4.42Å; H486-L488 HydrophobicContact CB-CD1 3.7Å; H486-L488 HydrophobicContact CB-CG 3.73Å; H486-L488 PolarHBondContact O-N 2.85Å; H486-D529 IonicContact CE1-OD2 3.77Å; H486-D529 IonicContact ND1-OD2 2.63Å
487	S	92.4	Very high	93.8	Very high	65 Å²	65	73.2 Å²	73.2	46%	0.455	35%	0.346	S	S	.	.			trans	55	32.3	-173	-55.2	0	0	0	0	113	A482 L483 G537	A482-S487 PolarHBondContact O-N 3.05Å; L483-S487 VanDerWaalsContact O-CA 3.24Å; L483-S487 WeakPolarHBondContact O-CA 3.31Å; L483-S487 PolarHBondContact O-N 2.69Å; L483-S487 VanDerWaalsContact O-N 3.15Å; S487-G537 VanDerWaalsContact O-CA 3.3Å; S487-G537 WeakPolarHBondContact O-CA 3.25Å; S487-G537 PolarHBondContact O-N 2.83Å
488	L	91.8	Very high	93.7	Very high	9 Å²	9	73.2 Å²	73.2	5%	0.047	34%	0.343	C	S	.	.			trans	-98.1	137.2	-179.8	-65.7	175	0	0	0	110.8	A482 L483 H486 L534 N535	A482-L488 HydrophobicContact CB-CB 4.39Å; A482-L488 PolarHBondContact O-N 2.77Å; L483-L488 VanDerWaalsContact CA-O 3.26Å; L483-L488 WeakPolarHBondContact CA-O 3.12Å; L483-L488 PolarHBondContact N-O 2.99Å; H486-L488 HydrophobicContact CB-CB 4.42Å; H486-L488 HydrophobicContact CB-CD1 3.7Å; H486-L488 HydrophobicContact CB-CG 3.73Å; H486-L488 PolarHBondContact O-N 2.85Å; L488-L534 HydrophobicContact CD1-CB 4.16Å; L488-L534 HydrophobicContact CD1-CD1 3.95Å; L488-L534 HydrophobicContact CD2-CB 4.26Å; L488-N535 VanDerWaalsContact CD2-O 3.3Å; L488-N535 WeakPolarHBondContact CD2-O 3.49Å
489	T	93.8	Very high	93.4	Very high	61 Å²	61	70.6 Å²	70.6	37%	0.374	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.9	170.3	-54.7	0	0	0	0	109.1	S538 R539 V540	T489-S538 PolarHBondContact N-O 3.09Å; T489-S538 VanDerWaalsContact N-O 3.08Å; T489-R539 CarbonylContact O-C 3.59Å; T489-R539 VanDerWaalsContact O-CA 3.31Å; T489-R539 WeakPolarHBondContact O-CA 3.49Å; T489-V540 PolarHBondContact O-N 3.27Å
490	I	94.3	Very high	93.3	Very high	19 Å²	19	69.6 Å²	69.6	10%	0.097	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.8	179.9	-57.5	178.5	0	0	0	109.6	A482 W492 L525 V540 I542	A482-I490 HydrophobicContact CB-CD1 3.35Å; A482-I490 HydrophobicContact CB-CG1 4.04Å; I490-W492 HydrophobicContact CG2-CE3 4.3Å; I490-L525 HydrophobicContact CD1-CD1 3.78Å; I490-V540 WeakPolarHBondContact CA-O 3.23Å; I490-I542 HydrophobicContact CG2-CD1 3.48Å; I490-I542 VanDerWaalsContact CG2-CD1 3.48Å; I490-I542 HydrophobicContact CG2-CG1 4.18Å
491	T	94.7	Very high	93.1	Very high	67 Å²	67	65.2 Å²	65.2	41%	0.411	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155	172.9	51.6	0	0	0	0	108.9	V540 N541 I542	T491-V540 PolarHBondContact N-O 2.96Å; T491-V540 PolarHBondContact OG1-O 3.29Å; T491-N541 CarbonylContact O-C 3.55Å; T491-N541 WeakPolarHBondContact O-CA 3.4Å; T491-N541 PolarHBondContact O-OD1 3.14Å; T491-N541 WeakPolarHBondContact OG1-CA 3.3Å; T491-N541 PolarHBondContact OG1-OD1 3.41Å; T491-I542 PolarHBondContact O-N 3.33Å
492	W	95.4	Very high	92.8	Very high	61 Å²	61	63.6 Å²	63.6	23%	0.231	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.7	-179.3	55.5	92	0	0	0	110.9	N472 L475 K476 I490 I542	N472-W492 PolarHBondContact OD1-NE1 3.08Å; L475-W492 HydrophobicContact CB-CD2 4Å; L475-W492 HydrophobicContact CB-CE3 4.11Å; L475-W492 HydrophobicContact CB-CH2 3.72Å; L475-W492 HydrophobicContact CB-CZ2 3.55Å; L475-W492 HydrophobicContact CB-CZ3 3.99Å; L475-W492 HydrophobicContact CD1-CD2 3.85Å; L475-W492 HydrophobicContact CD1-CG 3.82Å; L475-W492 HydrophobicContact CD1-CZ2 4.43Å; L475-W492 HydrophobicContact CG-CD2 4.49Å; K476-W492 HydrophobicContact CB-CH2 4.21Å; I490-W492 HydrophobicContact CG2-CE3 4.3Å; W492-I542 WeakPolarHBondContact CA-O 3.33Å; W492-I542 HydrophobicContact CB-CB 4.04Å; W492-I542 HydrophobicContact CB-CD1 4.41Å
493	N	93.2	Very high	92.5	Very high	57 Å²	57	64.1 Å²	64.1	31%	0.305	31%	0.31	S	S	.	.			trans	-83.1	165.8	174.4	-61.5	-5.7	0	0	0	111.9	E495 V496 N541 I542	N493-E495 VanDerWaalsContact C-N 3.32Å; N493-E495 WeakPolarHBondContact CB-OE2 3.37Å; N493-E495 PolarHBondContact O-N 3.2Å; N493-V496 WeakPolarHBondContact O-CB 3.12Å; N493-V496 PolarHBondContact O-N 3Å; N493-N541 PolarHBondContact OD1-ND2 3.45Å; N493-N541 PolarHBondContact OD1-OD1 2.61Å; N493-I542 PolarHBondContact N-O 3.31Å
494	R	92.1	Very high	92.4	Very high	196 Å²	196	61.3 Å²	61.3	74%	0.74	29%	0.293	S	S	*	.	H	α-helix	trans	-62.4	-37.2	177.8	-178.5	175.6	175	163.9	1.3	112.5	V496 V497 D498	R494-V496 PolarHBondContact O-N 2.98Å; R494-V497 WeakPolarHBondContact O-CA 3.33Å; R494-V497 WeakPolarHBondContact O-CB 3.45Å; R494-V497 PolarHBondContact O-N 3.49Å; R494-D498 PolarHBondContact O-N 3.46Å; R494-D498 VanDerWaalsContact O-N 3.16Å
495	E	90.6	Very high	92.2	Very high	76 Å²	76	55.2 Å²	55.2	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-27.3	-178.7	-55.9	81.8	-174.2	0	0	112.1	N493 V497 D498 L499 V544	N493-E495 VanDerWaalsContact C-N 3.32Å; N493-E495 WeakPolarHBondContact CB-OE2 3.37Å; N493-E495 PolarHBondContact O-N 3.2Å; E495-V497 VanDerWaalsContact C-N 3.32Å; E495-D498 PolarHBondContact O-N 2.94Å; E495-L499 WeakPolarHBondContact O-CB 3.48Å; E495-L499 PolarHBondContact O-N 3.17Å; E495-V544 HydrophobicContact CB-CB 4.26Å; E495-V544 HydrophobicContact CB-CG2 3.88Å
496	V	92.2	Very high	92	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-40	174.4	-178.9	0	0	0	0	110.3	N493 R494 L499 I500 I521 I542 V544	N493-V496 WeakPolarHBondContact O-CB 3.12Å; N493-V496 PolarHBondContact O-N 3Å; R494-V496 PolarHBondContact O-N 2.98Å; V496-L499 PolarHBondContact O-N 2.91Å; V496-I500 VanDerWaalsContact O-CG1 3.28Å; V496-I500 WeakPolarHBondContact O-CG1 3.28Å; V496-I500 PolarHBondContact O-N 3.14Å; V496-I500 VanDerWaalsContact O-N 3.11Å; V496-I521 HydrophobicContact CG1-CD1 3.8Å; V496-I542 HydrophobicContact CG1-CG2 3.97Å; V496-I542 HydrophobicContact CG2-CB 4.4Å; V496-I542 HydrophobicContact CG2-CG2 3.86Å; V496-I542 VanDerWaalsContact CG2-O 3.29Å; V496-I542 WeakPolarHBondContact CG2-O 3.41Å; V496-V544 HydrophobicContact CB-CG2 4.38Å; V496-V544 HydrophobicContact CG2-CG2 3.84Å
497	V	94	Very high	91.9	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-49.7	177.6	-179.7	0	0	0	0	109.5	T468 V471 R494 E495 L499 I500 V501	T468-V497 HydrophobicContact CG2-CG1 3.61Å; V471-V497 HydrophobicContact CB-CG1 4.05Å; V471-V497 HydrophobicContact CG1-CB 4.32Å; V471-V497 HydrophobicContact CG1-CG1 3.92Å; V471-V497 HydrophobicContact CG1-CG2 4.28Å; R494-V497 WeakPolarHBondContact O-CA 3.33Å; R494-V497 WeakPolarHBondContact O-CB 3.45Å; R494-V497 PolarHBondContact O-N 3.49Å; E495-V497 VanDerWaalsContact C-N 3.32Å; V497-L499 VanDerWaalsContact C-N 3.31Å; V497-L499 PolarHBondContact O-N 3.34Å; V497-I500 PolarHBondContact O-N 3.11Å; V497-I500 VanDerWaalsContact O-N 3.14Å; V497-V501 HydrophobicContact CG1-CG2 4.27Å; V497-V501 VanDerWaalsContact O-CG2 3.31Å; V497-V501 WeakPolarHBondContact O-CG2 3.29Å; V497-V501 PolarHBondContact O-N 3.04Å
498	D	91.8	Very high	91.8	Very high	51 Å²	51	52.5 Å²	52.5	27%	0.273	25%	0.25	S	S	.	.	H	α-helix	trans	-60.3	-41	-179.6	-60.8	-32.2	0	0	0	111.5	R494 E495 I500 V501 D502	R494-D498 PolarHBondContact O-N 3.46Å; R494-D498 VanDerWaalsContact O-N 3.16Å; E495-D498 PolarHBondContact O-N 2.94Å; D498-I500 PolarHBondContact O-N 3.43Å; D498-V501 PolarHBondContact O-N 3.37Å; D498-D502 PolarHBondContact O-N 3.16Å
499	L	90.8	Very high	91.7	Very high	7 Å²	7	52 Å²	52	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-40.3	175.3	-179.3	65.5	0	0	0	113.4	E495 V496 V497 V544 P571 I573	E495-L499 WeakPolarHBondContact O-CB 3.48Å; E495-L499 PolarHBondContact O-N 3.17Å; V496-L499 PolarHBondContact O-N 2.91Å; V497-L499 VanDerWaalsContact C-N 3.31Å; V497-L499 PolarHBondContact O-N 3.34Å; L499-V544 HydrophobicContact CB-CG2 4.38Å; L499-V544 HydrophobicContact CD2-CG1 4.07Å; L499-V544 HydrophobicContact CD2-CG2 4.03Å; L499-P571 HydrophobicContact CD1-CB 3.81Å; L499-P571 HydrophobicContact CD1-CG 3.41Å; L499-P571 VanDerWaalsContact CD1-CG 3.41Å; L499-I573 HydrophobicContact CD2-CD1 4.25Å; L499-I573 HydrophobicContact CD2-CG1 3.74Å
500	I	92.3	Very high	91.7	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-74.4	-38.9	178.7	-64.6	-65.3	0	0	0	110.7	V471 V496 V497 D498 D502 G503 I513 E516 I517 I521 I573	V471-I500 HydrophobicContact CG1-CB 4.16Å; V471-I500 HydrophobicContact CG1-CG2 4.07Å; V471-I500 HydrophobicContact CG2-CB 4.25Å; V471-I500 HydrophobicContact CG2-CG2 3.67Å; V496-I500 VanDerWaalsContact O-CG1 3.28Å; V496-I500 WeakPolarHBondContact O-CG1 3.28Å; V496-I500 PolarHBondContact O-N 3.14Å; V496-I500 VanDerWaalsContact O-N 3.11Å; V497-I500 PolarHBondContact O-N 3.11Å; V497-I500 VanDerWaalsContact O-N 3.14Å; D498-I500 PolarHBondContact O-N 3.43Å; I500-D502 PolarHBondContact O-N 3.36Å; I500-G503 PolarHBondContact O-N 3.48Å; I500-I513 HydrophobicContact CG2-CD1 4.26Å; I500-I513 HydrophobicContact CG2-CG2 4.13Å; I500-E516 HydrophobicContact CD1-CB 4.15Å; I500-E516 HydrophobicContact CG2-CB 4.32Å; I500-I517 HydrophobicContact CD1-CG1 4.39Å; I500-I517 HydrophobicContact CG1-CG1 4.41Å; I500-I517 HydrophobicContact CG2-CD1 4.38Å; I500-I517 HydrophobicContact CG2-CG1 3.81Å; I500-I521 HydrophobicContact CD1-CD1 4.24Å; I500-I521 HydrophobicContact CG1-CD1 4.31Å; I500-I573 HydrophobicContact CD1-CD1 4.43Å
501	V	92.8	Very high	91.6	Very high	21 Å²	21	55.5 Å²	55.5	13%	0.127	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-37.6	174.4	171.9	0	0	0	0	110.7	L467 V471 V497 D498 G503 Y504	L467-V501 HydrophobicContact CB-CG1 3.92Å; L467-V501 HydrophobicContact CB-CG2 4Å; L467-V501 HydrophobicContact CD1-CG1 4.02Å; V471-V501 HydrophobicContact CG2-CG2 3.9Å; V497-V501 HydrophobicContact CG1-CG2 4.27Å; V497-V501 VanDerWaalsContact O-CG2 3.31Å; V497-V501 WeakPolarHBondContact O-CG2 3.29Å; V497-V501 PolarHBondContact O-N 3.04Å; D498-V501 PolarHBondContact O-N 3.37Å; V501-G503 PolarHBondContact O-N 3.1Å; V501-Y504 WeakPolarHBondContact O-CB 3.45Å; V501-Y504 PolarHBondContact O-N 3.23Å
502	D	88.5	Confident	91.5	Very high	59 Å²	59	52.8 Å²	52.8	32%	0.316	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.9	174.9	-94.7	-21.8	0	0	0	114	D498 I500 Y504 S548 K550	D498-D502 PolarHBondContact O-N 3.16Å; I500-D502 PolarHBondContact O-N 3.36Å; D502-Y504 VanDerWaalsContact C-N 3.28Å; D502-S548 PolarHBondContact OD2-OG 3.01Å; D502-K550 WeakPolarHBondContact OD1-CD 3.27Å; D502-K550 IonicContact OD1-NZ 2.81Å; D502-K550 PolarHBondContact OD1-NZ 2.66Å
503	G	87.8	Confident	91.5	Very high	23 Å²	23	50 Å²	50	24%	0.237	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	4.7	174.6	0	0	0	0	0	114.5	I500 V501 D505	I500-G503 PolarHBondContact O-N 3.48Å; V501-G503 PolarHBondContact O-N 3.1Å; G503-D505 PolarHBondContact O-N 3.23Å
504	Y	91.6	Very high	91.5	Very high	39 Å²	39	50.5 Å²	50.5	15%	0.153	23%	0.233	C	C	.	.			trans	-64	127.6	179.5	174.8	-115.9	0	0	0	112.4	F462 L467 V501 D502 V506 S512 I513	F462-Y504 HydrophobicContact CD2-CE2 4.08Å; F462-Y504 PolarHBondContact N-OH 2.91Å; L467-Y504 HydrophobicContact CD1-CD1 3.54Å; L467-Y504 HydrophobicContact CD1-CD2 4.22Å; L467-Y504 HydrophobicContact CD1-CE1 4.01Å; L467-Y504 HydrophobicContact CD1-CG 3.65Å; L467-Y504 HydrophobicContact CD2-CD1 4.18Å; L467-Y504 HydrophobicContact CD2-CD2 3.36Å; L467-Y504 HydrophobicContact CD2-CE1 4.34Å; L467-Y504 HydrophobicContact CD2-CE2 3.55Å; L467-Y504 HydrophobicContact CD2-CG 3.69Å; L467-Y504 HydrophobicContact CG-CD1 4.5Å; L467-Y504 HydrophobicContact CG-CD2 4.44Å; L467-Y504 HydrophobicContact CG-CG 4.34Å; V501-Y504 WeakPolarHBondContact O-CB 3.45Å; V501-Y504 PolarHBondContact O-N 3.23Å; D502-Y504 VanDerWaalsContact C-N 3.28Å; Y504-V506 HydrophobicContact CD1-CG2 4.29Å; Y504-V506 HydrophobicContact CE1-CB 4.4Å; Y504-V506 HydrophobicContact CE1-CG2 3.76Å; Y504-S512 WeakPolarHBondContact CD2-OG 3.19Å; Y504-I513 HydrophobicContact CD2-CD1 4.24Å; Y504-I513 HydrophobicContact CD2-CG1 4.18Å
505	D	91.1	Very high	91.6	Very high	58 Å²	58	47.3 Å²	47.3	31%	0.31	22%	0.222	S	C	.	.			trans	-106.6	120.1	170.1	-170.9	-27.2	0	0	0	110.4	G503 Y507 Y508 G509 S512	G503-D505 PolarHBondContact O-N 3.23Å; D505-Y507 PolarHBondContact O-N 2.99Å; D505-Y507 WeakPolarHBondContact OD1-CB 3.48Å; D505-Y507 VanDerWaalsContact OD1-CD2 3.28Å; D505-Y507 WeakPolarHBondContact OD1-CD2 3.48Å; D505-Y507 PolarHBondContact OD1-N 2.95Å; D505-Y508 HydrophobicContact CB-CD2 4.04Å; D505-Y508 PolarHBondContact O-N 2.87Å; D505-Y508 VanDerWaalsContact OD2-CD2 3.25Å; D505-Y508 WeakPolarHBondContact OD2-CD2 3.23Å; D505-Y508 WeakPolarHBondContact OD2-CE2 3.08Å; D505-G509 PolarHBondContact O-N 3.4Å; D505-S512 PolarHBondContact N-OG 3.1Å
506	V	89.6	Confident	91.6	Very high	32 Å²	32	44.4 Å²	44.4	19%	0.194	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.1	180	178.7	0	0	0	0	112.8	S287 A408 P461 Y504	S287-V506 VanDerWaalsContact CB-O 3.25Å; S287-V506 WeakPolarHBondContact CB-O 3.37Å; S287-V506 PolarHBondContact OG-O 3.29Å; A408-V506 HydrophobicContact CB-CG1 3.86Å; P461-V506 HydrophobicContact CB-CG1 4.05Å; P461-V506 HydrophobicContact CG-CG1 3.9Å; Y504-V506 HydrophobicContact CD1-CG2 4.29Å; Y504-V506 HydrophobicContact CE1-CB 4.4Å; Y504-V506 HydrophobicContact CE1-CG2 3.76Å
507	Y	88.9	Confident	91.8	Very high	126 Å²	126	44.4 Å²	44.4	49%	0.494	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-31.9	-178.6	-62.2	-73	0	0	0	112.8	S288 Q405 D505	S288-Y507 PolarHBondContact N-O 2.7Å; Q405-Y507 HydrophobicContact CB-CE1 4.5Å; Q405-Y507 HydrophobicContact CG-CE1 4.45Å; D505-Y507 PolarHBondContact O-N 2.99Å; D505-Y507 WeakPolarHBondContact OD1-CB 3.48Å; D505-Y507 VanDerWaalsContact OD1-CD2 3.28Å; D505-Y507 WeakPolarHBondContact OD1-CD2 3.48Å; D505-Y507 PolarHBondContact OD1-N 2.95Å
508	Y	90.1	Very high	91.7	Very high	136 Å²	136	48.6 Å²	48.6	53%	0.533	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-7.9	-179.1	-61.4	-69.1	0	0	0	113.8	S288 D505 R511	S288-Y508 CarbonylContact O-C 3.01Å; D505-Y508 HydrophobicContact CB-CD2 4.04Å; D505-Y508 PolarHBondContact O-N 2.87Å; D505-Y508 VanDerWaalsContact OD2-CD2 3.25Å; D505-Y508 WeakPolarHBondContact OD2-CD2 3.23Å; D505-Y508 WeakPolarHBondContact OD2-CE2 3.08Å; Y508-R511 VanDerWaalsContact O-CB 3.29Å; Y508-R511 WeakPolarHBondContact O-CB 3.43Å; Y508-R511 PolarHBondContact O-N 3.41Å; Y508-R511 VanDerWaalsContact O-N 3.14Å
509	G	91	Very high	91.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-139.7	174.5	0	0	0	0	0	111.6	S288 D505 R511 S512	S288-G509 WeakPolarHBondContact O-CA 3.33Å; S288-G509 PolarHBondContact O-N 2.8Å; D505-G509 PolarHBondContact O-N 3.4Å; G509-R511 PolarHBondContact O-N 3.07Å; G509-R511 VanDerWaalsContact O-N 3.08Å; G509-S512 PolarHBondContact O-N 2.82Å; G509-S512 VanDerWaalsContact O-N 3.1Å; G509-S512 PolarHBondContact O-OG 3.3Å
510	A	92.1	Very high	91.6	Very high	19 Å²	19	56.1 Å²	56.1	16%	0.157	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-14.3	180	0	0	0	0	0	113.8	G289 F462 L470 S512 I513 N514	G289-A510 VanDerWaalsContact O-CB 3.32Å; G289-A510 WeakPolarHBondContact O-CB 3.48Å; G289-A510 PolarHBondContact O-N 2.93Å; F462-A510 HydrophobicContact CE2-CB 3.92Å; F462-A510 HydrophobicContact CZ-CB 4.45Å; L470-A510 HydrophobicContact CD1-CB 4.19Å; A510-S512 VanDerWaalsContact C-N 3.31Å; A510-I513 PolarHBondContact O-N 3.48Å; A510-N514 PolarHBondContact O-N 2.58Å; A510-N514 VanDerWaalsContact O-N 3.11Å
511	R	92.7	Very high	91.6	Very high	134 Å²	134	56.2 Å²	56.2	51%	0.506	25%	0.252	S	S	.	.	H	α-helix	trans	-66.4	-35.3	173.8	-61.8	177.1	-178.3	178.7	4.3	111.4	S288 Y508 G509 I513 N514 Y515	S288-R511 VanDerWaalsContact OG-CZ 3.27Å; S288-R511 PolarHBondContact OG-NH1 3.47Å; Y508-R511 VanDerWaalsContact O-CB 3.29Å; Y508-R511 WeakPolarHBondContact O-CB 3.43Å; Y508-R511 PolarHBondContact O-N 3.41Å; Y508-R511 VanDerWaalsContact O-N 3.14Å; G509-R511 PolarHBondContact O-N 3.07Å; G509-R511 VanDerWaalsContact O-N 3.08Å; R511-I513 VanDerWaalsContact C-N 3.32Å; R511-N514 PolarHBondContact O-N 2.93Å; R511-Y515 WeakPolarHBondContact O-CB 3.33Å; R511-Y515 PolarHBondContact O-N 2.79Å
512	S	94	Very high	91.6	Very high	10 Å²	10	56.9 Å²	56.9	7%	0.07	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-41.1	174.9	65.1	0	0	0	0	111.6	Y504 D505 G509 A510 Y515 E516	Y504-S512 WeakPolarHBondContact CD2-OG 3.19Å; D505-S512 PolarHBondContact N-OG 3.1Å; G509-S512 PolarHBondContact O-N 2.82Å; G509-S512 VanDerWaalsContact O-N 3.1Å; G509-S512 PolarHBondContact O-OG 3.3Å; A510-S512 VanDerWaalsContact C-N 3.31Å; S512-Y515 WeakPolarHBondContact O-CB 3.49Å; S512-Y515 PolarHBondContact O-N 3.35Å; S512-E516 WeakPolarHBondContact O-CG 3.31Å; S512-E516 PolarHBondContact O-N 3.3Å
513	I	94.1	Very high	91.7	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-49.1	176	-63.6	-59.2	0	0	0	111.6	L467 V471 I500 Y504 A510 R511 Y515 E516 I517	L467-I513 HydrophobicContact CD2-CD1 4.28Å; L467-I513 HydrophobicContact CD2-CG1 4.18Å; V471-I513 HydrophobicContact CB-CG2 4.45Å; V471-I513 HydrophobicContact CG2-CD1 4.1Å; V471-I513 HydrophobicContact CG2-CG2 3.55Å; I500-I513 HydrophobicContact CG2-CD1 4.26Å; I500-I513 HydrophobicContact CG2-CG2 4.13Å; Y504-I513 HydrophobicContact CD2-CD1 4.24Å; Y504-I513 HydrophobicContact CD2-CG1 4.18Å; A510-I513 PolarHBondContact O-N 3.48Å; R511-I513 VanDerWaalsContact C-N 3.32Å; I513-Y515 VanDerWaalsContact C-N 3.28Å; I513-Y515 PolarHBondContact O-N 3.31Å; I513-E516 PolarHBondContact O-N 3Å; I513-I517 HydrophobicContact CG2-CD1 3.85Å; I513-I517 WeakPolarHBondContact O-CG1 3.01Å; I513-I517 PolarHBondContact O-N 3.03Å
514	N	93	Very high	91.9	Very high	68 Å²	68	57.2 Å²	57.2	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-61.3	-41.1	178.1	-71.8	-26.5	0	0	0	111.5	S474 A510 R511 I517 E518	S474-N514 PolarHBondContact OG-OD1 2.89Å; A510-N514 PolarHBondContact O-N 2.58Å; A510-N514 VanDerWaalsContact O-N 3.11Å; R511-N514 PolarHBondContact O-N 2.93Å; N514-I517 PolarHBondContact O-N 3.22Å; N514-E518 WeakPolarHBondContact O-CB 3.45Å; N514-E518 WeakPolarHBondContact O-CG 3.35Å; N514-E518 PolarHBondContact O-N 3.39Å
515	Y	93.9	Very high	91.8	Very high	129 Å²	129	56.2 Å²	56.2	51%	0.506	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-46.8	174.8	176	-97.9	0	0	0	112.2	R511 S512 I513 I517 E518 R519	R511-Y515 WeakPolarHBondContact O-CB 3.33Å; R511-Y515 PolarHBondContact O-N 2.79Å; S512-Y515 WeakPolarHBondContact O-CB 3.49Å; S512-Y515 PolarHBondContact O-N 3.35Å; I513-Y515 VanDerWaalsContact C-N 3.28Å; I513-Y515 PolarHBondContact O-N 3.31Å; Y515-I517 PolarHBondContact O-N 2.88Å; Y515-E518 PolarHBondContact O-N 3.41Å; Y515-R519 HydrophobicContact CE1-CB 4.49Å; Y515-R519 WeakPolarHBondContact O-CB 3.49Å; Y515-R519 PolarHBondContact O-N 3.37Å
516	E	92.5	Very high	91.8	Very high	15 Å²	15	56.2 Å²	56.2	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-36.6	179.2	-75.4	-66	119.5	0	0	112.3	I500 S512 I513 R519 R520	I500-E516 HydrophobicContact CD1-CB 4.15Å; I500-E516 HydrophobicContact CG2-CB 4.32Å; S512-E516 WeakPolarHBondContact O-CG 3.31Å; S512-E516 PolarHBondContact O-N 3.3Å; I513-E516 PolarHBondContact O-N 3Å; E516-R519 IonicContact OE1-NH1 2.88Å; E516-R519 PolarHBondContact OE1-NH1 3.2Å; E516-R520 WeakPolarHBondContact O-CB 3.19Å; E516-R520 WeakPolarHBondContact O-CG 3.46Å; E516-R520 PolarHBondContact O-N 3.02Å; E516-R520 IonicContact OE2-CZ 2.7Å; E516-R520 IonicContact OE2-NE 3.48Å; E516-R520 PolarHBondContact OE2-NE 3.33Å; E516-R520 IonicContact OE2-NH2 3.22Å; E516-R520 PolarHBondContact OE2-NH2 3.47Å
517	I	94.3	Very high	91.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-49	172.8	-68.6	169.3	0	0	0	110.4	V471 S474 L475 I500 I513 N514 Y515 I521 I522	V471-I517 HydrophobicContact CG1-CD1 4.4Å; S474-I517 WeakPolarHBondContact OG-CD1 3.14Å; L475-I517 HydrophobicContact CD2-CD1 4.32Å; L475-I517 HydrophobicContact CD2-CG1 4.32Å; L475-I517 HydrophobicContact CD2-CG2 3.89Å; L475-I517 HydrophobicContact CG-CD1 4.28Å; I500-I517 HydrophobicContact CD1-CG1 4.39Å; I500-I517 HydrophobicContact CG1-CG1 4.41Å; I500-I517 HydrophobicContact CG2-CD1 4.38Å; I500-I517 HydrophobicContact CG2-CG1 3.81Å; I513-I517 HydrophobicContact CG2-CD1 3.85Å; I513-I517 WeakPolarHBondContact O-CG1 3.01Å; I513-I517 PolarHBondContact O-N 3.03Å; N514-I517 PolarHBondContact O-N 3.22Å; Y515-I517 PolarHBondContact O-N 2.88Å; I517-I521 HydrophobicContact CG2-CD1 4.47Å; I517-I521 WeakPolarHBondContact O-CA 3.31Å; I517-I521 VanDerWaalsContact O-CB 3.27Å; I517-I521 WeakPolarHBondContact O-CB 3.18Å; I517-I521 PolarHBondContact O-N 3.49Å; I517-I522 HydrophobicContact CG2-CG1 4.31Å; I517-I522 PolarHBondContact O-N 3.1Å; I517-I522 VanDerWaalsContact O-N 3.08Å
518	E	93.6	Very high	91.8	Very high	93 Å²	93	51.1 Å²	51.1	44%	0.435	24%	0.241	S	C	.	.	I	π-helix	trans	-62.9	-46.6	-179.6	-75.5	176.9	-174.8	0	0	111.8	W478 N514 Y515 I522 S523	W478-E518 HydrophobicContact CZ2-CG 3.92Å; N514-E518 WeakPolarHBondContact O-CB 3.45Å; N514-E518 WeakPolarHBondContact O-CG 3.35Å; N514-E518 PolarHBondContact O-N 3.39Å; Y515-E518 PolarHBondContact O-N 3.41Å; E518-I522 HydrophobicContact CG-CG1 4.34Å; E518-I522 PolarHBondContact O-N 2.96Å; E518-S523 PolarHBondContact O-N 3.37Å; E518-S523 PolarHBondContact O-OG 3.05Å
519	R	90.3	Very high	91.8	Very high	141 Å²	141	47.8 Å²	47.8	53%	0.532	23%	0.233	S	C	.	.	I	π-helix	trans	-64.9	-47	-179.4	-177.9	-175.6	177.8	-169.9	4.1	112.8	Y515 E516 S523	Y515-R519 HydrophobicContact CE1-CB 4.49Å; Y515-R519 WeakPolarHBondContact O-CB 3.49Å; Y515-R519 PolarHBondContact O-N 3.37Å; E516-R519 IonicContact OE1-NH1 2.88Å; E516-R519 PolarHBondContact OE1-NH1 3.2Å; R519-S523 VanDerWaalsContact O-CB 3.29Å; R519-S523 WeakPolarHBondContact O-CB 3.5Å; R519-S523 PolarHBondContact O-OG 3.07Å
520	R	89.8	Confident	91.6	Very high	75 Å²	75	55.6 Å²	55.6	28%	0.283	27%	0.269	S	S	.	.	I	π-helix	trans	-94.1	-30.6	-172.2	-58.2	-169.2	-174.4	-156.3	8.4	114.1	E516 L524 I573	E516-R520 WeakPolarHBondContact O-CB 3.19Å; E516-R520 WeakPolarHBondContact O-CG 3.46Å; E516-R520 PolarHBondContact O-N 3.02Å; E516-R520 IonicContact OE2-CZ 2.7Å; E516-R520 IonicContact OE2-NE 3.48Å; E516-R520 PolarHBondContact OE2-NE 3.33Å; E516-R520 IonicContact OE2-NH2 3.22Å; E516-R520 PolarHBondContact OE2-NH2 3.47Å; R520-L524 WeakPolarHBondContact O-CD1 3.31Å; R520-L524 VanDerWaalsContact O-CG 3.23Å; R520-L524 WeakPolarHBondContact O-CG 3.27Å; R520-I573 HydrophobicContact CB-CD1 3.43Å; R520-I573 VanDerWaalsContact CB-CD1 3.43Å; R520-I573 HydrophobicContact CB-CG1 4.28Å; R520-I573 HydrophobicContact CG-CD1 4.49Å
521	I	92.1	Very high	91.4	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.279	C	S	.	.	I	π-helix	trans	-106.4	-57.4	-174	-60.1	171.3	0	0	0	110.2	L475 V496 I500 I517 S523 L524 L525 I542 I573	L475-I521 HydrophobicContact CD2-CD1 3.63Å; V496-I521 HydrophobicContact CG1-CD1 3.8Å; I500-I521 HydrophobicContact CD1-CD1 4.24Å; I500-I521 HydrophobicContact CG1-CD1 4.31Å; I517-I521 HydrophobicContact CG2-CD1 4.47Å; I517-I521 WeakPolarHBondContact O-CA 3.31Å; I517-I521 VanDerWaalsContact O-CB 3.27Å; I517-I521 WeakPolarHBondContact O-CB 3.18Å; I517-I521 PolarHBondContact O-N 3.49Å; I521-S523 VanDerWaalsContact C-N 3.32Å; I521-S523 PolarHBondContact O-N 3.32Å; I521-L524 PolarHBondContact O-N 2.9Å; I521-L524 VanDerWaalsContact O-N 3.16Å; I521-L525 HydrophobicContact CG2-CD1 4Å; I521-L525 WeakPolarHBondContact O-CG 3.46Å; I521-L525 PolarHBondContact O-N 3.11Å; I521-I542 HydrophobicContact CG2-CD1 3.54Å; I521-I542 HydrophobicContact CG2-CG1 4.48Å; I521-I573 HydrophobicContact CD1-CD1 4.09Å; I521-I573 HydrophobicContact CG1-CD1 3.37Å; I521-I573 HydrophobicContact CG1-CG2 4.43Å
522	I	92.8	Very high	91.1	Very high	35 Å²	35	54.2 Å²	54.2	18%	0.179	28%	0.278	C	S	.	.	I	π-helix	trans	-65.9	-38.5	-173.9	-54.2	-57	0	0	0	111.1	W478 I517 E518 L524 L525 A526	W478-I522 HydrophobicContact CB-CD1 4.13Å; W478-I522 HydrophobicContact CD2-CD1 3.5Å; W478-I522 VanDerWaalsContact CD2-CD1 3.5Å; W478-I522 HydrophobicContact CD2-CG1 3.97Å; W478-I522 HydrophobicContact CE3-CD1 3.66Å; W478-I522 HydrophobicContact CE3-CG1 4.25Å; W478-I522 HydrophobicContact CG-CD1 3.73Å; W478-I522 HydrophobicContact CG-CG1 4.42Å; W478-I522 HydrophobicContact CH2-CG1 4.38Å; W478-I522 HydrophobicContact CH2-CG2 4.23Å; W478-I522 HydrophobicContact CZ2-CG1 4.12Å; W478-I522 HydrophobicContact CZ3-CD1 4.23Å; W478-I522 HydrophobicContact CZ3-CG1 4.45Å; W478-I522 HydrophobicContact CZ3-CG2 4.23Å; I517-I522 HydrophobicContact CG2-CG1 4.31Å; I517-I522 PolarHBondContact O-N 3.1Å; I517-I522 VanDerWaalsContact O-N 3.08Å; E518-I522 HydrophobicContact CG-CG1 4.34Å; E518-I522 PolarHBondContact O-N 2.96Å; I522-L524 VanDerWaalsContact C-N 3.31Å; I522-L524 PolarHBondContact O-N 2.89Å; I522-L525 HydrophobicContact CD1-CD1 4.18Å; I522-L525 PolarHBondContact O-N 3.46Å; I522-A526 WeakPolarHBondContact O-CB 3.42Å; I522-A526 PolarHBondContact O-N 2.88Å
523	S	91.4	Very high	90.6	Very high	67 Å²	67	56.4 Å²	56.4	47%	0.469	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-38	175.7	-55.1	0	0	0	0	112.2	E518 R519 I521 L527	E518-S523 PolarHBondContact O-N 3.37Å; E518-S523 PolarHBondContact O-OG 3.05Å; R519-S523 VanDerWaalsContact O-CB 3.29Å; R519-S523 WeakPolarHBondContact O-CB 3.5Å; R519-S523 PolarHBondContact O-OG 3.07Å; I521-S523 VanDerWaalsContact C-N 3.32Å; I521-S523 PolarHBondContact O-N 3.32Å; S523-L527 WeakPolarHBondContact O-CB 3.39Å; S523-L527 PolarHBondContact O-N 3.4Å
524	L	90.3	Very high	90.3	Very high	22 Å²	22	56.9 Å²	56.9	12%	0.115	29%	0.289	C	S	.	.	H	α-helix	trans	-70.1	-39.4	174.9	-67.9	-178.4	0	0	0	112.2	R520 I521 I522 L527 A528 I573 L575 L590 T591	R520-L524 WeakPolarHBondContact O-CD1 3.31Å; R520-L524 VanDerWaalsContact O-CG 3.23Å; R520-L524 WeakPolarHBondContact O-CG 3.27Å; I521-L524 PolarHBondContact O-N 2.9Å; I521-L524 VanDerWaalsContact O-N 3.16Å; I522-L524 VanDerWaalsContact C-N 3.31Å; I522-L524 PolarHBondContact O-N 2.89Å; L524-L527 PolarHBondContact O-N 2.97Å; L524-A528 WeakPolarHBondContact O-CB 3.12Å; L524-A528 PolarHBondContact O-N 3.4Å; L524-I573 HydrophobicContact CD1-CB 3.87Å; L524-I573 HydrophobicContact CD1-CG2 3.97Å; L524-L575 HydrophobicContact CB-CD1 3.89Å; L524-L575 HydrophobicContact CB-CG 4.42Å; L524-L590 HydrophobicContact CD2-CB 4.13Å; L524-T591 HydrophobicContact CD2-CG2 4.48Å
525	L	91.3	Very high	90	Very high	18 Å²	18	57.4 Å²	57.4	9%	0.094	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-43	174.7	-71.2	170.5	0	0	0	111.3	I490 I521 I522 A528 D529 L534 V540 L575	I490-L525 HydrophobicContact CD1-CD1 3.78Å; I521-L525 HydrophobicContact CG2-CD1 4Å; I521-L525 WeakPolarHBondContact O-CG 3.46Å; I521-L525 PolarHBondContact O-N 3.11Å; I522-L525 HydrophobicContact CD1-CD1 4.18Å; I522-L525 PolarHBondContact O-N 3.46Å; L525-A528 PolarHBondContact O-N 3.21Å; L525-D529 WeakPolarHBondContact O-CB 3.28Å; L525-D529 PolarHBondContact O-N 3.16Å; L525-L534 HydrophobicContact CD2-CD1 4.32Å; L525-L534 VanDerWaalsContact O-CD1 3.31Å; L525-L534 WeakPolarHBondContact O-CD1 3.15Å; L525-V540 HydrophobicContact CD2-CG1 3.95Å; L525-V540 HydrophobicContact CD2-CG2 4.5Å; L525-L575 HydrophobicContact CD2-CD1 3.96Å; L525-L575 HydrophobicContact CD2-CD2 4.19Å; L525-L575 HydrophobicContact CG-CD1 4.39Å
526	A	91	Very high	89.7	Confident	58 Å²	58	56.3 Å²	56.3	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-43.2	177	0	0	0	0	0	111.7	I522 D529 E530	I522-A526 WeakPolarHBondContact O-CB 3.42Å; I522-A526 PolarHBondContact O-N 2.88Å; A526-D529 WeakPolarHBondContact O-CB 3.49Å; A526-D529 PolarHBondContact O-N 2.94Å; A526-E530 PolarHBondContact O-N 2.91Å
527	L	89.7	Confident	89.4	Confident	51 Å²	51	57.2 Å²	57.2	27%	0.267	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-40.4	175.6	-176.7	63.1	0	0	0	112.1	S523 L524 D529 E530 Q531 L590	S523-L527 WeakPolarHBondContact O-CB 3.39Å; S523-L527 PolarHBondContact O-N 3.4Å; L524-L527 PolarHBondContact O-N 2.97Å; L527-D529 VanDerWaalsContact C-N 3.33Å; L527-E530 PolarHBondContact O-N 3.48Å; L527-Q531 WeakPolarHBondContact O-CB 3.1Å; L527-Q531 VanDerWaalsContact O-CG 3.3Å; L527-Q531 WeakPolarHBondContact O-CG 3.36Å; L527-Q531 PolarHBondContact O-N 3.47Å; L527-L590 HydrophobicContact CB-CD1 4.13Å; L527-L590 HydrophobicContact CD2-CB 3.82Å; L527-L590 HydrophobicContact CD2-CD1 3.92Å; L527-L590 HydrophobicContact CD2-CG 4.36Å; L527-L590 HydrophobicContact CG-CD1 3.96Å
528	A	88.5	Confident	89.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.4	-34.8	175.8	0	0	0	0	0	112.6	L524 L525 G532 H533 L534 L575 L588 L590	L524-A528 WeakPolarHBondContact O-CB 3.12Å; L524-A528 PolarHBondContact O-N 3.4Å; L525-A528 PolarHBondContact O-N 3.21Å; A528-G532 PolarHBondContact O-N 3.43Å; A528-H533 HydrophobicContact CB-CB 4.42Å; A528-H533 WeakPolarHBondContact O-CB 3.25Å; A528-H533 PolarHBondContact O-N 3.26Å; A528-L534 HydrophobicContact CB-CD1 3.97Å; A528-L534 HydrophobicContact CB-CD2 4.38Å; A528-L534 HydrophobicContact CB-CG 3.92Å; A528-L575 HydrophobicContact CB-CD1 4.28Å; A528-L588 HydrophobicContact CB-CD1 4.07Å; A528-L590 HydrophobicContact CB-CD1 3.97Å
529	D	88.9	Confident	89.1	Confident	67 Å²	67	60.6 Å²	60.6	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-48.2	173.6	-159.3	40	0	0	0	110.7	H486 L525 A526 L527 Q531 G532 L534	H486-D529 IonicContact CE1-OD2 3.77Å; H486-D529 IonicContact ND1-OD2 2.63Å; L525-D529 WeakPolarHBondContact O-CB 3.28Å; L525-D529 PolarHBondContact O-N 3.16Å; A526-D529 WeakPolarHBondContact O-CB 3.49Å; A526-D529 PolarHBondContact O-N 2.94Å; L527-D529 VanDerWaalsContact C-N 3.33Å; D529-Q531 VanDerWaalsContact C-N 3.3Å; D529-Q531 PolarHBondContact O-N 3.12Å; D529-G532 PolarHBondContact O-N 3.28Å; D529-L534 HydrophobicContact CB-CD1 4.09Å
530	E	88	Confident	89.2	Confident	163 Å²	163	53.9 Å²	53.9	76%	0.762	30%	0.298	S	S	*	.	H	α-helix	trans	-58.9	-39.4	177.1	-174.7	179.4	-176.1	0	0	112.4	A526 L527 G532	A526-E530 PolarHBondContact O-N 2.91Å; L527-E530 PolarHBondContact O-N 3.48Å; E530-G532 PolarHBondContact O-N 3.15Å
531	Q	87.8	Confident	89.3	Confident	78 Å²	78	52.6 Å²	52.6	36%	0.364	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	0.2	176.3	-69.1	178	-8.8	0	0	113.9	L527 D529 H533	L527-Q531 WeakPolarHBondContact O-CB 3.1Å; L527-Q531 VanDerWaalsContact O-CG 3.3Å; L527-Q531 WeakPolarHBondContact O-CG 3.36Å; L527-Q531 PolarHBondContact O-N 3.47Å; D529-Q531 VanDerWaalsContact C-N 3.3Å; D529-Q531 PolarHBondContact O-N 3.12Å; Q531-H533 VanDerWaalsContact C-N 3.29Å; Q531-H533 PolarHBondContact O-N 3.24Å; Q531-H533 PolarHBondContact OE1-CD2 3.16Å; Q531-H533 PolarHBondContact OE1-NE2 3.14Å
532	G	85.4	Confident	89.3	Confident	47 Å²	47	52.6 Å²	52.6	49%	0.485	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	22.9	179.7	0	0	0	0	0	113.8	A528 D529 E530	A528-G532 PolarHBondContact O-N 3.43Å; D529-G532 PolarHBondContact O-N 3.28Å; E530-G532 PolarHBondContact O-N 3.15Å
533	H	84.6	Confident	89.2	Confident	55 Å²	55	51.7 Å²	51.7	26%	0.255	29%	0.293	S	S	.	.			trans	-83.8	-18.3	176.5	-65.5	-35.6	0	0	0	113.1	A528 Q531 L588	A528-H533 HydrophobicContact CB-CB 4.42Å; A528-H533 WeakPolarHBondContact O-CB 3.25Å; A528-H533 PolarHBondContact O-N 3.26Å; Q531-H533 VanDerWaalsContact C-N 3.29Å; Q531-H533 PolarHBondContact O-N 3.24Å; Q531-H533 PolarHBondContact OE1-CD2 3.16Å; Q531-H533 PolarHBondContact OE1-NE2 3.14Å; H533-L588 HydrophobicContact CB-CD1 3.75Å
534	L	86.3	Confident	89	Confident	11 Å²	11	49.7 Å²	49.7	6%	0.058	28%	0.278	C	S	.	.			trans	-105.3	109.8	-180	-57.8	-178.1	0	0	0	109.9	L488 L525 A528 D529 V540 V577	L488-L534 HydrophobicContact CD1-CB 4.16Å; L488-L534 HydrophobicContact CD1-CD1 3.95Å; L488-L534 HydrophobicContact CD2-CB 4.26Å; L525-L534 HydrophobicContact CD2-CD1 4.32Å; L525-L534 VanDerWaalsContact O-CD1 3.31Å; L525-L534 WeakPolarHBondContact O-CD1 3.15Å; A528-L534 HydrophobicContact CB-CD1 3.97Å; A528-L534 HydrophobicContact CB-CD2 4.38Å; A528-L534 HydrophobicContact CB-CG 3.92Å; D529-L534 HydrophobicContact CB-CD1 4.09Å; L534-V540 HydrophobicContact CD2-CG2 3.63Å; L534-V577 HydrophobicContact CD2-CG1 4.02Å; L534-V577 HydrophobicContact CD2-CG2 3.83Å
535	N	87.5	Confident	88.5	Confident	80 Å²	80	51.1 Å²	51.1	43%	0.428	29%	0.29	S	S	.	.			trans	-103.2	155	175	-69.7	-45.5	0	0	0	110.5	L488 G537 S538	L488-N535 VanDerWaalsContact CD2-O 3.3Å; L488-N535 WeakPolarHBondContact CD2-O 3.49Å; N535-G537 PolarHBondContact O-N 3.27Å; N535-S538 PolarHBondContact N-OG 3Å; N535-S538 VanDerWaalsContact O-CB 3.26Å; N535-S538 WeakPolarHBondContact O-CB 3.14Å; N535-S538 PolarHBondContact O-N 3.36Å; N535-S538 PolarHBondContact O-OG 2.87Å; N535-S538 VanDerWaalsContact O-OG 3.04Å
536	P	87.9	Confident	87.6	Confident	106 Å²	106	52.6 Å²	52.6	69%	0.688	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	126.5	172.6	-25.3	34.5	0	0	0	111.5
537	G	87	Confident	86.1	Confident	33 Å²	33	55.9 Å²	55.9	34%	0.34	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-2.8	-176.6	0	0	0	0	0	115.2	S487 N535	S487-G537 VanDerWaalsContact O-CA 3.3Å; S487-G537 WeakPolarHBondContact O-CA 3.25Å; S487-G537 PolarHBondContact O-N 2.83Å; N535-G537 PolarHBondContact O-N 3.27Å
538	S	88.9	Confident	84.4	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.014	29%	0.294	C	S	.	.			trans	-66.7	148.4	173.4	-64.1	0	0	0	0	111.8	T489 N535 T578 D579	T489-S538 PolarHBondContact N-O 3.09Å; T489-S538 VanDerWaalsContact N-O 3.08Å; N535-S538 PolarHBondContact N-OG 3Å; N535-S538 VanDerWaalsContact O-CB 3.26Å; N535-S538 WeakPolarHBondContact O-CB 3.14Å; N535-S538 PolarHBondContact O-N 3.36Å; N535-S538 PolarHBondContact O-OG 2.87Å; N535-S538 VanDerWaalsContact O-OG 3.04Å; S538-T578 CarbonylContact C-O 3.44Å; S538-T578 WeakPolarHBondContact CA-O 3.08Å; S538-D579 PolarHBondContact OG-OD1 2.77Å
539	R	91.3	Very high	82.6	Confident	163 Å²	163	58.7 Å²	58.7	62%	0.615	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.7	172.1	-48.3	-178.4	175.5	174.4	-1.3	109.5	T489 T578	T489-R539 CarbonylContact O-C 3.59Å; T489-R539 VanDerWaalsContact O-CA 3.31Å; T489-R539 WeakPolarHBondContact O-CA 3.49Å; R539-T578 WeakPolarHBondContact CB-OG1 3.34Å; R539-T578 PolarHBondContact N-O 3.04Å; R539-T578 PolarHBondContact O-N 2.79Å; R539-T578 PolarHBondContact O-OG1 2.9Å
540	V	91.9	Very high	80.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.9	179.8	-173.5	0	0	0	0	108.5	T489 I490 T491 L525 L534 I542 L575 N576 V577	T489-V540 PolarHBondContact O-N 3.27Å; I490-V540 WeakPolarHBondContact CA-O 3.23Å; T491-V540 PolarHBondContact N-O 2.96Å; T491-V540 PolarHBondContact OG1-O 3.29Å; L525-V540 HydrophobicContact CD2-CG1 3.95Å; L525-V540 HydrophobicContact CD2-CG2 4.5Å; L534-V540 HydrophobicContact CD2-CG2 3.63Å; V540-I542 HydrophobicContact CG1-CG1 4.49Å; V540-L575 HydrophobicContact CG1-CB 4.24Å; V540-L575 HydrophobicContact CG1-CD2 4.12Å; V540-N576 WeakPolarHBondContact CA-O 3.39Å; V540-V577 HydrophobicContact CG1-CG2 4.45Å; V540-V577 HydrophobicContact CG2-CG2 4.32Å
541	N	92.9	Very high	78.3	Confident	47 Å²	47	57.2 Å²	57.2	25%	0.251	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120	168.2	-174.7	31.7	0	0	0	110	T491 N493 N576	T491-N541 CarbonylContact O-C 3.55Å; T491-N541 WeakPolarHBondContact O-CA 3.4Å; T491-N541 PolarHBondContact O-OD1 3.14Å; T491-N541 WeakPolarHBondContact OG1-CA 3.3Å; T491-N541 PolarHBondContact OG1-OD1 3.41Å; N493-N541 PolarHBondContact OD1-ND2 3.45Å; N493-N541 PolarHBondContact OD1-OD1 2.61Å; N541-N576 HydrophobicContact CB-CB 4.26Å; N541-N576 PolarHBondContact N-O 3.46Å; N541-N576 WeakPolarHBondContact O-CB 3.38Å; N541-N576 PolarHBondContact O-N 3.09Å
542	I	92.9	Very high	76	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.8	179.6	-52.8	164.3	0	0	0	108.1	I490 T491 W492 N493 V496 I521 V540 I573 L575	I490-I542 HydrophobicContact CG2-CD1 3.48Å; I490-I542 VanDerWaalsContact CG2-CD1 3.48Å; I490-I542 HydrophobicContact CG2-CG1 4.18Å; T491-I542 PolarHBondContact O-N 3.33Å; W492-I542 WeakPolarHBondContact CA-O 3.33Å; W492-I542 HydrophobicContact CB-CB 4.04Å; W492-I542 HydrophobicContact CB-CD1 4.41Å; N493-I542 PolarHBondContact N-O 3.31Å; V496-I542 HydrophobicContact CG1-CG2 3.97Å; V496-I542 HydrophobicContact CG2-CB 4.4Å; V496-I542 HydrophobicContact CG2-CG2 3.86Å; V496-I542 VanDerWaalsContact CG2-O 3.29Å; V496-I542 WeakPolarHBondContact CG2-O 3.41Å; I521-I542 HydrophobicContact CG2-CD1 3.54Å; I521-I542 HydrophobicContact CG2-CG1 4.48Å; V540-I542 HydrophobicContact CG1-CG1 4.49Å; I542-I573 HydrophobicContact CG2-CG2 3.47Å; I542-I573 VanDerWaalsContact CG2-CG2 3.47Å; I542-L575 HydrophobicContact CB-CD2 4.48Å; I542-L575 HydrophobicContact CG1-CD2 3.88Å; I542-L575 HydrophobicContact CG2-CD2 4.3Å
543	S	90.2	Very high	73.7	Confident	16 Å²	16	57.4 Å²	57.4	11%	0.112	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	169.6	178	55.5	0	0	0	0	111.2	V574 N576	S543-V574 PolarHBondContact N-O 2.75Å; S543-V574 PolarHBondContact O-N 3.5Å; S543-V574 PolarHBondContact OG-O 2.96Å; S543-N576 PolarHBondContact OG-ND2 3.34Å
544	V	86.9	Confident	71.4	Confident	25 Å²	25	64.8 Å²	64.8	15%	0.152	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.4	173.7	-169.5	0	0	0	0	109.6	E495 V496 L499 H546 P571 R572	E495-V544 HydrophobicContact CB-CB 4.26Å; E495-V544 HydrophobicContact CB-CG2 3.88Å; V496-V544 HydrophobicContact CB-CG2 4.38Å; V496-V544 HydrophobicContact CG2-CG2 3.84Å; L499-V544 HydrophobicContact CB-CG2 4.38Å; L499-V544 HydrophobicContact CD2-CG1 4.07Å; L499-V544 HydrophobicContact CD2-CG2 4.03Å; V544-H546 WeakPolarHBondContact CG1-O 3.45Å; V544-P571 HydrophobicContact CG1-CB 3.79Å; V544-R572 CarbonylContact C-O 3.49Å; V544-R572 VanDerWaalsContact CA-O 3.27Å; V544-R572 WeakPolarHBondContact CA-O 3.44Å; V544-R572 WeakPolarHBondContact CG1-O 3.46Å
545	S	79.3	Confident	68.9	Low	53 Å²	53	67.7 Å²	67.7	37%	0.371	36%	0.357	S	S	.	.	S	Bend	trans	-63.5	-38.1	-178.8	58.7	0	0	0	0	113.7	R572	S545-R572 PolarHBondContact N-O 3.32Å; S545-R572 PolarHBondContact OG-N 2.81Å; S545-R572 PolarHBondContact OG-O 3.41Å
546	H	72	Confident	66.3	Low	48 Å²	48	66.9 Å²	66.9	22%	0.222	36%	0.358	C	S	.	.	S	Bend	trans	-158	158.7	177.3	53.8	-80.1	0	0	0	109	V544 S569 P570 P571	V544-H546 WeakPolarHBondContact CG1-O 3.45Å; H546-S569 PolarHBondContact CE1-O 3.22Å; H546-S569 PolarHBondContact CE1-OG 3.09Å; H546-S569 PolarHBondContact NE2-O 2.86Å; H546-P570 PolarHBondContact CE1-O 3.04Å; H546-P570 VanDerWaalsContact CE1-O 3.29Å; H546-P571 WeakPolarHBondContact O-CB 3.35Å
547	K	60.6	Low	63.8	Low	128 Å²	128	70.7 Å²	70.7	56%	0.557	36%	0.364	S	S	*	.			trans	-66.1	151.2	-175.8	-68.2	-175.5	177.8	-178.7	0	111.7
548	S	53.1	Low	61.6	Low	20 Å²	20	78.5 Å²	78.5	14%	0.14	39%	0.388	C	S	.	.			trans	-62.5	144.6	175.6	-178.2	0	0	0	0	111	D502 K550 D551	D502-S548 PolarHBondContact OD2-OG 3.01Å; S548-K550 PolarHBondContact O-N 2.99Å; S548-K550 VanDerWaalsContact O-N 3.08Å; S548-D551 PolarHBondContact O-N 3.41Å
549	V	50.6	Low	59	Low	90 Å²	90	81.3 Å²	81.3	55%	0.545	41%	0.408	S	S	.	.	H	α-helix	trans	-58.4	-24.5	-176.1	179.7	0	0	0	0	112.8	D551 E552 A553	V549-D551 VanDerWaalsContact C-N 3.34Å; V549-D551 PolarHBondContact O-N 2.86Å; V549-E552 PolarHBondContact O-N 3.3Å; V549-A553 PolarHBondContact O-N 2.94Å; V549-A553 VanDerWaalsContact O-N 3.12Å
550	K	46.6	Very low	56.3	Low	124 Å²	124	81.8 Å²	81.8	54%	0.539	42%	0.423	S	S	.	.	H	α-helix	trans	-67.6	-31.9	174.8	-76.1	-172.7	-167.8	158.1	0	113.2	D502 S548 E552 A553 W554	D502-K550 WeakPolarHBondContact OD1-CD 3.27Å; D502-K550 IonicContact OD1-NZ 2.81Å; D502-K550 PolarHBondContact OD1-NZ 2.66Å; S548-K550 PolarHBondContact O-N 2.99Å; S548-K550 VanDerWaalsContact O-N 3.08Å; K550-E552 VanDerWaalsContact C-N 3.34Å; K550-A553 PolarHBondContact O-N 3.03Å; K550-W554 PolarHBondContact O-N 3.24Å; K550-W554 VanDerWaalsContact O-N 3.13Å
551	D	40.1	Very low	53.6	Low	75 Å²	75	89.7 Å²	89.7	40%	0.401	46%	0.459	S	S	.	.	H	α-helix	trans	-72.6	-31.1	174.8	-73	-25.1	0	0	0	111.3	S548 V549 W554 S555	S548-D551 PolarHBondContact O-N 3.41Å; V549-D551 VanDerWaalsContact C-N 3.34Å; V549-D551 PolarHBondContact O-N 2.86Å; D551-W554 PolarHBondContact O-N 3.22Å; D551-S555 WeakPolarHBondContact O-CB 3.39Å; D551-S555 PolarHBondContact O-N 3Å
552	E	39.1	Very low	51	Low	65 Å²	65	95.3 Å²	95.3	30%	0.304	49%	0.49	S	S	.	.	H	α-helix	trans	-67.9	-37.7	172.5	-67.7	-176.5	168.3	0	0	111.4	V549 K550 W554 S556	V549-E552 PolarHBondContact O-N 3.3Å; K550-E552 VanDerWaalsContact C-N 3.34Å; E552-W554 VanDerWaalsContact C-N 3.33Å; E552-W554 PolarHBondContact O-N 2.9Å; E552-S556 WeakPolarHBondContact O-CB 3.47Å; E552-S556 PolarHBondContact O-N 2.73Å; E552-S556 PolarHBondContact O-OG 2.89Å
553	A	37.8	Very low	48.5	Very low	63 Å²	63	102.3 Å²	102.3	52%	0.521	53%	0.526	S	S	.	.	H	α-helix	trans	-67.5	-29.7	174.1	0	0	0	0	0	113.4	V549 K550 S556	V549-A553 PolarHBondContact O-N 2.94Å; V549-A553 VanDerWaalsContact O-N 3.12Å; K550-A553 PolarHBondContact O-N 3.03Å; A553-S556 PolarHBondContact O-OG 2.75Å
554	W	36.8	Very low	46	Very low	210 Å²	210	107.2 Å²	107.2	80%	0.795	55%	0.551	S	S	*	*	H	α-helix	trans	-86.5	-33.4	176	-135.6	-61	0	0	0	113	K550 D551 E552	K550-W554 PolarHBondContact O-N 3.24Å; K550-W554 VanDerWaalsContact O-N 3.13Å; D551-W554 PolarHBondContact O-N 3.22Å; E552-W554 VanDerWaalsContact C-N 3.33Å; E552-W554 PolarHBondContact O-N 2.9Å
555	S	32.8	Very low	44	Very low	72 Å²	72	111.9 Å²	111.9	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-76.7	-36.8	177.8	-169.5	0	0	0	0	112.2	D551 K557 K558 S559	D551-S555 WeakPolarHBondContact O-CB 3.39Å; D551-S555 PolarHBondContact O-N 3Å; S555-K557 PolarHBondContact O-N 2.88Å; S555-K558 PolarHBondContact O-N 2.77Å; S555-S559 PolarHBondContact O-N 2.91Å
556	S	33.3	Very low	42.3	Very low	63 Å²	63	115.2 Å²	115.2	44%	0.441	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.8	-21.4	176.2	55.4	0	0	0	0	113.2	E552 A553 K558	E552-S556 WeakPolarHBondContact O-CB 3.47Å; E552-S556 PolarHBondContact O-N 2.73Å; E552-S556 PolarHBondContact O-OG 2.89Å; A553-S556 PolarHBondContact O-OG 2.75Å; S556-K558 PolarHBondContact O-N 3.19Å
557	K	36.1	Very low	41	Very low	187 Å²	187	116.7 Å²	116.7	81%	0.813	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-12.5	169.4	-87.1	-175.6	177.3	176.1	0	113.9	S555	S555-K557 PolarHBondContact O-N 2.88Å
558	K	39.4	Very low	40.6	Very low	197 Å²	197	116.2 Å²	116.2	86%	0.857	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	-9	177.9	-81.2	-171.3	175.6	-179.3	0	115.3	S555 S556	S555-K558 PolarHBondContact O-N 2.77Å; S556-K558 PolarHBondContact O-N 3.19Å
559	S	34.3	Very low	40.8	Very low	60 Å²	60	117.6 Å²	117.6	42%	0.42	63%	0.632	S	S	.	*			trans	-148.1	113.1	176.1	53.2	0	0	0	0	111.3	S555 E561	S555-S559 PolarHBondContact O-N 2.91Å; S559-E561 PolarHBondContact O-N 3.43Å
560	N	35.3	Very low	41.6	Very low	173 Å²	173	117.5 Å²	117.5	93%	0.925	63%	0.633	S	S	*	*			trans	-67.2	78.8	160.7	-93.5	-8.1	0	0	0	108.4
561	E	36.2	Very low	42.9	Very low	166 Å²	166	112.3 Å²	112.3	78%	0.776	61%	0.612	S	S	*	*			trans	-134	141.7	165.7	-74.7	-170.5	165.6	0	0	110	S559	S559-E561 PolarHBondContact O-N 3.43Å
562	N	37.4	Very low	44.9	Very low	166 Å²	166	112.8 Å²	112.8	89%	0.888	61%	0.608	S	S	*	*			trans	-52	128.7	-164	-62.3	-49.1	0	0	0	113.4	D564	N562-D564 PolarHBondContact O-N 3.37Å
563	L	40	Very low	47.1	Very low	147 Å²	147	110 Å²	110	77%	0.77	60%	0.595	S	S	*	*			trans	-66.7	114	169.8	-72.1	156.3	0	0	0	109.2
564	D	38.1	Very low	49.5	Very low	119 Å²	119	107.5 Å²	107.5	64%	0.636	57%	0.573	S	S	*	*			trans	-62.8	124.2	170.1	-100.8	-29.4	0	0	0	109.9	N562 T566	N562-D564 PolarHBondContact O-N 3.37Å; D564-T566 PolarHBondContact O-N 3.34Å; D564-T566 VanDerWaalsContact O-N 3.1Å
565	P	45.3	Very low	51.9	Low	124 Å²	124	97.5 Å²	97.5	81%	0.805	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	3.9	-174.3	28.9	-33.8	0	0	0	114.4
566	T	42.5	Very low	54.5	Low	122 Å²	122	95.6 Å²	95.6	75%	0.748	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.9	-178	46.5	0	0	0	0	114.8	D564 S568	D564-T566 PolarHBondContact O-N 3.34Å; D564-T566 VanDerWaalsContact O-N 3.1Å; T566-S568 PolarHBondContact O-N 3.14Å
567	I	46.1	Very low	57	Low	80 Å²	80	92.7 Å²	92.7	41%	0.41	50%	0.499	S	S	.	.			trans	-97.4	75.4	-176.2	-47.2	174.2	0	0	0	110.4
568	S	51.9	Low	59.5	Low	117 Å²	117	85.8 Å²	85.8	82%	0.818	47%	0.473	S	S	*	.			trans	-103.7	-7.3	174.6	-174	0	0	0	0	113.4	T566	T566-S568 PolarHBondContact O-N 3.14Å
569	S	57.9	Low	61.5	Low	50 Å²	50	78.2 Å²	78.2	35%	0.35	44%	0.442	S	S	.	.	S	Bend	trans	-90.2	142.2	-178.1	60.7	0	0	0	0	111.7	H546	H546-S569 PolarHBondContact CE1-O 3.22Å; H546-S569 PolarHBondContact CE1-OG 3.09Å; H546-S569 PolarHBondContact NE2-O 2.86Å
570	P	67.5	Low	63.3	Low	87 Å²	87	79.5 Å²	79.5	57%	0.565	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-64.1	149.6	172.1	26.5	-33.6	0	0	0	110.5	H546 R572	H546-P570 PolarHBondContact CE1-O 3.04Å; H546-P570 VanDerWaalsContact CE1-O 3.29Å; P570-R572 WeakPolarHBondContact O-CG 3.32Å; P570-R572 PolarHBondContact O-N 3.25Å
571	P	73.5	Confident	65.1	Low	16 Å²	16	80.8 Å²	80.8	10%	0.104	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-53.9	126.9	176.2	24.7	-37.7	0	0	0	110.9	L499 V544 H546	L499-P571 HydrophobicContact CD1-CB 3.81Å; L499-P571 HydrophobicContact CD1-CG 3.41Å; L499-P571 VanDerWaalsContact CD1-CG 3.41Å; V544-P571 HydrophobicContact CG1-CB 3.79Å; H546-P571 WeakPolarHBondContact O-CB 3.35Å
572	R	81.3	Confident	66.4	Low	84 Å²	84	75.7 Å²	75.7	32%	0.317	45%	0.446	S	S	.	.			trans	-112.4	149.8	-174.7	-51.9	-164.8	-179.7	179.1	-1.3	111.6	V544 S545 P570 T591	V544-R572 CarbonylContact C-O 3.49Å; V544-R572 VanDerWaalsContact CA-O 3.27Å; V544-R572 WeakPolarHBondContact CA-O 3.44Å; V544-R572 WeakPolarHBondContact CG1-O 3.46Å; S545-R572 PolarHBondContact N-O 3.32Å; S545-R572 PolarHBondContact OG-N 2.81Å; S545-R572 PolarHBondContact OG-O 3.41Å; P570-R572 WeakPolarHBondContact O-CG 3.32Å; P570-R572 PolarHBondContact O-N 3.25Å; R572-T591 WeakPolarHBondContact CD-OG1 3.12Å; R572-T591 PolarHBondContact NH1-OG1 2.67Å
573	I	85.8	Confident	67.9	Low	6 Å²	6	75.1 Å²	75.1	3%	0.031	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.4	175	-59.7	-168.8	0	0	0	109.2	L499 I500 R520 I521 L524 I542	L499-I573 HydrophobicContact CD2-CD1 4.25Å; L499-I573 HydrophobicContact CD2-CG1 3.74Å; I500-I573 HydrophobicContact CD1-CD1 4.43Å; R520-I573 HydrophobicContact CB-CD1 3.43Å; R520-I573 VanDerWaalsContact CB-CD1 3.43Å; R520-I573 HydrophobicContact CB-CG1 4.28Å; R520-I573 HydrophobicContact CG-CD1 4.49Å; I521-I573 HydrophobicContact CD1-CD1 4.09Å; I521-I573 HydrophobicContact CG1-CD1 3.37Å; I521-I573 HydrophobicContact CG1-CG2 4.43Å; L524-I573 HydrophobicContact CD1-CB 3.87Å; L524-I573 HydrophobicContact CD1-CG2 3.97Å; I542-I573 HydrophobicContact CG2-CG2 3.47Å; I542-I573 VanDerWaalsContact CG2-CG2 3.47Å
574	V	87.2	Confident	68.9	Low	11 Å²	11	74 Å²	74	7%	0.067	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.5	-178.2	-179.4	0	0	0	0	108.9	S543 V587	S543-V574 PolarHBondContact N-O 2.75Å; S543-V574 PolarHBondContact O-N 3.5Å; S543-V574 PolarHBondContact OG-O 2.96Å; V574-V587 HydrophobicContact CG1-CG1 3.2Å
575	L	87.2	Confident	69.9	Low	0 Å²	0	71.2 Å²	71.2	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.7	178.1	-56.1	179.3	0	0	0	110.3	L524 L525 A528 V540 I542 L588	L524-L575 HydrophobicContact CB-CD1 3.89Å; L524-L575 HydrophobicContact CB-CG 4.42Å; L525-L575 HydrophobicContact CD2-CD1 3.96Å; L525-L575 HydrophobicContact CD2-CD2 4.19Å; L525-L575 HydrophobicContact CG-CD1 4.39Å; A528-L575 HydrophobicContact CB-CD1 4.28Å; V540-L575 HydrophobicContact CG1-CB 4.24Å; V540-L575 HydrophobicContact CG1-CD2 4.12Å; I542-L575 HydrophobicContact CB-CD2 4.48Å; I542-L575 HydrophobicContact CG1-CD2 3.88Å; I542-L575 HydrophobicContact CG2-CD2 4.3Å; L575-L588 HydrophobicContact CB-CB 4.31Å; L575-L588 PolarHBondContact N-O 3.24Å; L575-L588 VanDerWaalsContact N-O 3.13Å; L575-L588 PolarHBondContact O-N 3.39Å
576	N	88.4	Confident	70.8	Confident	33 Å²	33	71.6 Å²	71.6	18%	0.176	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	104.9	172.1	-60.9	-46.1	0	0	0	109	V540 N541 S543	V540-N576 WeakPolarHBondContact CA-O 3.39Å; N541-N576 HydrophobicContact CB-CB 4.26Å; N541-N576 PolarHBondContact N-O 3.46Å; N541-N576 WeakPolarHBondContact O-CB 3.38Å; N541-N576 PolarHBondContact O-N 3.09Å; S543-N576 PolarHBondContact OG-ND2 3.34Å
577	V	86.8	Confident	72	Confident	2 Å²	2	70 Å²	70	1%	0.012	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127	-177.6	-173.1	0	0	0	0	110.4	L534 V540 N585 K586 L588	L534-V577 HydrophobicContact CD2-CG1 4.02Å; L534-V577 HydrophobicContact CD2-CG2 3.83Å; V540-V577 HydrophobicContact CG1-CG2 4.45Å; V540-V577 HydrophobicContact CG2-CG2 4.32Å; V577-N585 PolarHBondContact O-N 3.08Å; V577-K586 PolarHBondContact N-O 3Å; V577-L588 HydrophobicContact CG2-CD1 3.92Å
578	T	86.8	Confident	73	Confident	41 Å²	41	66.7 Å²	66.7	25%	0.252	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.3	173.2	53.6	0	0	0	0	109.9	S538 R539 M584	S538-T578 CarbonylContact C-O 3.44Å; S538-T578 WeakPolarHBondContact CA-O 3.08Å; R539-T578 WeakPolarHBondContact CB-OG1 3.34Å; R539-T578 PolarHBondContact N-O 3.04Å; R539-T578 PolarHBondContact O-N 2.79Å; R539-T578 PolarHBondContact O-OG1 2.9Å; T578-M584 HydrophobicContact CG2-CG 3.92Å
579	D	81.7	Confident	73.6	Confident	39 Å²	39	62.8 Å²	62.8	21%	0.209	34%	0.344	C	S	.	.			trans	-74.2	165.3	176.1	-86.7	2.9	0	0	0	112	S538 K581 G582 K583 N585	S538-D579 PolarHBondContact OG-OD1 2.77Å; D579-K581 PolarHBondContact O-N 3.36Å; D579-G582 PolarHBondContact O-N 2.93Å; D579-K583 PolarHBondContact N-O 2.97Å; D579-K583 VanDerWaalsContact N-O 3.17Å; D579-N585 PolarHBondContact OD1-ND2 3.13Å; D579-N585 PolarHBondContact OD2-ND2 3.29Å
580	A	73.3	Confident	73.6	Confident	86 Å²	86	61.1 Å²	61.1	71%	0.711	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.4	173.5	0	0	0	0	0	113.9	G582	A580-G582 VanDerWaalsContact C-N 3.31Å
581	K	72	Confident	73	Confident	200 Å²	200	60 Å²	60	87%	0.87	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	3	176	-63	-176.5	-178.4	178	0	114	D579 K583	D579-K581 PolarHBondContact O-N 3.36Å; K581-K583 PolarHBondContact O-N 3.39Å
582	G	63.9	Low	71.8	Confident	60 Å²	60	65.5 Å²	65.5	62%	0.619	35%	0.347	S	S	*	.	S	Bend	trans	75	4	-178.6	0	0	0	0	0	115	D579 A580 M584	D579-G582 PolarHBondContact O-N 2.93Å; A580-G582 VanDerWaalsContact C-N 3.31Å; G582-M584 PolarHBondContact O-N 3.3Å
583	K	68.2	Low	69.9	Low	154 Å²	154	65 Å²	65	67%	0.67	35%	0.354	S	S	*	.			trans	-74.7	121.8	174.8	-158.9	173.1	-177.8	-179.4	0	108.6	D579 K581 N585	D579-K583 PolarHBondContact N-O 2.97Å; D579-K583 VanDerWaalsContact N-O 3.17Å; K581-K583 PolarHBondContact O-N 3.39Å; K583-N585 PolarHBondContact O-N 3.49Å
584	M	62.8	Low	67.4	Low	124 Å²	124	70.7 Å²	70.7	61%	0.611	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	116	168.8	-82.6	-171.2	71.5	0	0	108.1	T578 G582 V587	T578-M584 HydrophobicContact CG2-CG 3.92Å; G582-M584 PolarHBondContact O-N 3.3Å; M584-V587 HydrophobicContact CE-CG2 4.37Å
585	N	57.4	Low	64.9	Low	60 Å²	60	75 Å²	75	32%	0.321	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-23.9	-171.6	-97.7	10.2	0	0	0	113.9	V577 D579 K583	V577-N585 PolarHBondContact O-N 3.08Å; D579-N585 PolarHBondContact OD1-ND2 3.13Å; D579-N585 PolarHBondContact OD2-ND2 3.29Å; K583-N585 PolarHBondContact O-N 3.49Å
586	K	65.5	Low	62	Low	131 Å²	131	80 Å²	80	57%	0.57	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	172.6	150.1	166.6	-95.3	142.2	-168.7	-170.5	0	110	V577 L588	V577-K586 PolarHBondContact N-O 3Å; K586-L588 HydrophobicContact CB-CD2 3.86Å; K586-L588 HydrophobicContact CB-CG 4.19Å
587	V	66.1	Low	59.5	Low	88 Å²	88	89.4 Å²	89.4	53%	0.533	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	109.3	157.6	179.7	0	0	0	0	105.7	V574 M584	V574-V587 HydrophobicContact CG1-CG1 3.2Å; M584-V587 HydrophobicContact CE-CG2 4.37Å
588	L	67.2	Low	56.9	Low	12 Å²	12	97.3 Å²	97.3	6%	0.063	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	97.3	-179.3	-63.8	173.9	0	0	0	108.7	A528 H533 L575 V577 K586 L590	A528-L588 HydrophobicContact CB-CD1 4.07Å; H533-L588 HydrophobicContact CB-CD1 3.75Å; L575-L588 HydrophobicContact CB-CB 4.31Å; L575-L588 PolarHBondContact N-O 3.24Å; L575-L588 VanDerWaalsContact N-O 3.13Å; L575-L588 PolarHBondContact O-N 3.39Å; V577-L588 HydrophobicContact CG2-CD1 3.92Å; K586-L588 HydrophobicContact CB-CD2 3.86Å; K586-L588 HydrophobicContact CB-CG 4.19Å; L588-L590 HydrophobicContact CB-CD2 4.25Å; L588-L590 HydrophobicContact CB-CG 4.05Å; L588-L590 HydrophobicContact CD2-CD2 4.2Å; L588-L590 PolarHBondContact O-N 2.72Å
589	D	65.7	Low	55.4	Low	34 Å²	34	100.1 Å²	100.1	18%	0.182	56%	0.563	C	S	.	*			trans	-92.4	77	159.5	-174.3	6	0	0	0	108.4	T591 Q592	D589-T591 PolarHBondContact O-N 3.35Å; D589-T591 VanDerWaalsContact O-N 3.1Å; D589-T591 PolarHBondContact OD1-N 3.26Å; D589-T591 PolarHBondContact OD1-OG1 2.91Å; D589-Q592 HydrophobicContact CB-CG 4.42Å; D589-Q592 WeakPolarHBondContact O-CB 3.42Å; D589-Q592 PolarHBondContact O-N 3.49Å; D589-Q592 VanDerWaalsContact O-N 3.07Å; D589-Q592 WeakPolarHBondContact OD2-CG 3.37Å; D589-Q592 PolarHBondContact OD2-NE2 3.46Å
590	L	57.7	Low	54	Low	15 Å²	15	103.3 Å²	103.3	8%	0.079	58%	0.582	C	S	.	*	G	3₁₀ helix	trans	-68.5	-6.4	-177.3	-59.4	172.5	0	0	0	112.8	L524 L527 A528 L588 Q592 T593	L524-L590 HydrophobicContact CD2-CB 4.13Å; L527-L590 HydrophobicContact CB-CD1 4.13Å; L527-L590 HydrophobicContact CD2-CB 3.82Å; L527-L590 HydrophobicContact CD2-CD1 3.92Å; L527-L590 HydrophobicContact CD2-CG 4.36Å; L527-L590 HydrophobicContact CG-CD1 3.96Å; A528-L590 HydrophobicContact CB-CD1 3.97Å; L588-L590 HydrophobicContact CB-CD2 4.25Å; L588-L590 HydrophobicContact CB-CG 4.05Å; L588-L590 HydrophobicContact CD2-CD2 4.2Å; L588-L590 PolarHBondContact O-N 2.72Å; L590-Q592 PolarHBondContact O-N 3.21Å; L590-T593 PolarHBondContact O-N 3.34Å; L590-T593 PolarHBondContact O-OG1 2.86Å
591	T	55.1	Low	53	Low	63 Å²	63	104.3 Å²	104.3	39%	0.387	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-70.9	-13	170.6	73	0	0	0	0	112.6	L524 R572 D589 T593	L524-T591 HydrophobicContact CD2-CG2 4.48Å; R572-T591 WeakPolarHBondContact CD-OG1 3.12Å; R572-T591 PolarHBondContact NH1-OG1 2.67Å; D589-T591 PolarHBondContact O-N 3.35Å; D589-T591 VanDerWaalsContact O-N 3.1Å; D589-T591 PolarHBondContact OD1-N 3.26Å; D589-T591 PolarHBondContact OD1-OG1 2.91Å; T591-T593 VanDerWaalsContact C-N 3.33Å
592	Q	48.9	Very low	51.9	Low	133 Å²	133	98.6 Å²	98.6	62%	0.621	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-86.5	3.8	174.2	-63.1	-174.2	16.2	0	0	113.7	D589 L590 T594	D589-Q592 HydrophobicContact CB-CG 4.42Å; D589-Q592 WeakPolarHBondContact O-CB 3.42Å; D589-Q592 PolarHBondContact O-N 3.49Å; D589-Q592 VanDerWaalsContact O-N 3.07Å; D589-Q592 WeakPolarHBondContact OD2-CG 3.37Å; D589-Q592 PolarHBondContact OD2-NE2 3.46Å; L590-Q592 PolarHBondContact O-N 3.21Å; Q592-T594 PolarHBondContact O-N 3.12Å
593	T	40.4	Very low	51.1	Low	74 Å²	74	101.1 Å²	101.1	45%	0.454	55%	0.554	S	S	.	*			trans	-71.2	75.3	164.4	58	0	0	0	0	108.5	L590 T591 V595	L590-T593 PolarHBondContact O-N 3.34Å; L590-T593 PolarHBondContact O-OG1 2.86Å; T591-T593 VanDerWaalsContact C-N 3.33Å; T593-V595 PolarHBondContact O-N 2.92Å
594	T	34.3	Very low	50	Low	125 Å²	125	97.5 Å²	97.5	77%	0.767	55%	0.546	S	S	*	.			trans	-46.2	107.9	137.6	46.7	0	0	0	0	104.5	Q592 S596	Q592-T594 PolarHBondContact O-N 3.12Å; T594-S596 PolarHBondContact O-N 3.33Å
595	V	33.8	Very low	49	Very low	101 Å²	101	95.6 Å²	95.6	61%	0.612	54%	0.542	S	S	*	.			trans	-57.8	97.4	168.1	-168.7	0	0	0	0	104.7	T593 W597	T593-V595 PolarHBondContact O-N 2.92Å; V595-W597 HydrophobicContact CG1-CD2 4.21Å; V595-W597 HydrophobicContact CG1-CG 3.78Å; V595-W597 VanDerWaalsContact CG1-NE1 3.26Å; V595-W597 PolarHBondContact O-N 3.1Å
596	S	26.6	Very low	48.4	Very low	105 Å²	105	98.4 Å²	98.4	73%	0.734	56%	0.559	S	S	*	*			trans	-68.3	83.3	154.1	66.3	0	0	0	0	103.7	T594 A598	T594-S596 PolarHBondContact O-N 3.33Å; S596-A598 PolarHBondContact O-N 3.28Å
597	W	35.7	Very low	47	Very low	230 Å²	230	95.7 Å²	95.7	87%	0.871	56%	0.558	S	S	*	*			trans	-55.6	105.2	150	-75.6	94.7	0	0	0	103.4	V595	V595-W597 HydrophobicContact CG1-CD2 4.21Å; V595-W597 HydrophobicContact CG1-CG 3.78Å; V595-W597 VanDerWaalsContact CG1-NE1 3.26Å; V595-W597 PolarHBondContact O-N 3.1Å
598	A	32.3	Very low	45.2	Very low	168 Å²	168	96.4 Å²	96.4	100%	1.388	56%	0.56	S	S	*	*			trans	-55.3	0	178.6	0	0	0	0	0	110.5	S596	S596-A598 PolarHBondContact O-N 3.28Å

Retrieved 598 of 598 residues in 1381.4 ms (Link to these results)

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