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COP9 signalosome complex subunit 5

Probable protease subunit of the COP9 signalosome complex (CSN), a complex involved in various cellular and developmental processes. The CSN complex is an essential regulator of the ubiquitin (Ubl) conjugation pathway by mediating the deneddylation of the cullin subunits of the SCF-type E3 ligase complexes, leading to decrease the Ubl ligase activity of SCF-type complexes such as SCF, CSA or DDB2. The complex is also involved in phosphorylation of p53/TP53, c-jun/JUN, IkappaBalpha/NFKBIA, ITPK1 and IRF8, possibly via its association with CK2 and PKD kinases. CSN-dependent phosphorylation of TP53 and JUN promotes and protects degradation by the Ubl system, respectively. In the complex, it probably acts as the catalytic center that mediates the cleavage of Nedd8 from cullins. It however has no metalloprotease activity by itself and requires the other subunits of the CSN complex. Interacts directly with a large number of proteins that are regulated by the CSN complex, confirming a key role in the complex. Promotes the proteasomal degradation of BRSK2.

AlphaFold DB , UniProt , Accession Q92905, Species HUMAN (Homo sapiens, Human), Gene COPS5, Length 334 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	45.7	Very low	76.1	Confident	234 Å²	234	101.4 Å²	101.4	100%	1.153	64%	0.637	S	S	*	*				0	6.7	0	-74.1	-158.4	-86.4	0	0	114.7
2	A	52.7	Low	77.4	Confident	95 Å²	95	99.8 Å²	99.8	79%	0.785	63%	0.626	S	S	*	*			trans	-85.4	-14	-175	0	0	0	0	0	116
3	A	54.8	Low	78.6	Confident	92 Å²	92	102.7 Å²	102.7	76%	0.76	62%	0.618	S	S	*	*	H	α-helix	trans	-78	-20	-173.6	0	0	0	0	0	114.9
4	S	68.6	Low	79.6	Confident	91 Å²	91	100.4 Å²	100.4	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-79.2	-30.7	-174.6	67.6	0	0	0	0	113.9	M8	S4-M8 PolarHBondContact O-N 3.31Å
5	G	79	Confident	80.2	Confident	45 Å²	45	103.3 Å²	103.3	46%	0.464	61%	0.608	S	S	.	*	H	α-helix	trans	-69.1	-43.3	-178.2	0	0	0	0	0	113.1	G7 M8 A9	G5-G7 PolarHBondContact O-N 3.4Å; G5-M8 PolarHBondContact O-N 3Å; G5-A9 WeakPolarHBondContact O-CB 3.45Å; G5-A9 PolarHBondContact O-N 3.49Å
6	S	85.8	Confident	81	Confident	88 Å²	88	101.4 Å²	101.4	62%	0.615	61%	0.607	S	S	*	*	H	α-helix	trans	-63.3	-43.4	-179.6	-171.6	0	0	0	0	112.2	A9 Q10	S6-A9 PolarHBondContact O-N 3.47Å; S6-Q10 PolarHBondContact O-N 3.01Å
7	G	88.3	Confident	81.7	Confident	33 Å²	33	100.6 Å²	100.6	34%	0.34	60%	0.6	S	S	.	*	H	α-helix	trans	-67.3	-36.8	179.9	0	0	0	0	0	113	G5 K11	G5-G7 PolarHBondContact O-N 3.4Å; G7-K11 WeakPolarHBondContact O-CG 3.49Å; G7-K11 PolarHBondContact O-N 3.38Å
8	M	90.4	Very high	82	Confident	120 Å²	120	102.7 Å²	102.7	59%	0.591	61%	0.607	S	S	*	*	H	α-helix	trans	-68.3	-45.2	174.7	-76.9	-61.8	-58.5	0	0	112	S4 G5 Q10 K11 T12	S4-M8 PolarHBondContact O-N 3.31Å; G5-M8 PolarHBondContact O-N 3Å; M8-Q10 VanDerWaalsContact C-N 3.32Å; M8-Q10 PolarHBondContact O-N 2.95Å; M8-K11 PolarHBondContact O-N 3.07Å; M8-T12 PolarHBondContact O-N 3.4Å; M8-T12 PolarHBondContact O-OG1 3.12Å; M8-T12 VanDerWaalsContact O-OG1 3.1Å
9	A	91.5	Very high	82.1	Confident	63 Å²	63	102.6 Å²	102.6	52%	0.521	60%	0.601	S	S	.	*	H	α-helix	trans	-59.5	-42	178	0	0	0	0	0	112.1	G5 S6 W13	G5-A9 WeakPolarHBondContact O-CB 3.45Å; G5-A9 PolarHBondContact O-N 3.49Å; S6-A9 PolarHBondContact O-N 3.47Å; A9-W13 WeakPolarHBondContact O-CB 3.4Å; A9-W13 PolarHBondContact O-N 3.1Å
10	Q	90	Very high	81.9	Confident	112 Å²	112	106.4 Å²	106.4	52%	0.523	61%	0.613	S	S	.	*	H	α-helix	trans	-60.7	-51.6	175.3	-178	-177.9	-9.9	0	0	111.7	S6 M8 T12 W13 E14	S6-Q10 PolarHBondContact O-N 3.01Å; M8-Q10 VanDerWaalsContact C-N 3.32Å; M8-Q10 PolarHBondContact O-N 2.95Å; Q10-T12 VanDerWaalsContact C-N 3.33Å; Q10-T12 PolarHBondContact O-N 3.29Å; Q10-W13 WeakPolarHBondContact O-CB 3.39Å; Q10-W13 PolarHBondContact O-N 3.19Å; Q10-W13 VanDerWaalsContact O-N 3.12Å; Q10-E14 HydrophobicContact CG-CG 4.5Å; Q10-E14 WeakPolarHBondContact CG-OE1 3.46Å; Q10-E14 PolarHBondContact NE2-OE1 2.87Å; Q10-E14 WeakPolarHBondContact O-CG 3.41Å; Q10-E14 PolarHBondContact O-N 3.21Å
11	K	90	Very high	81.4	Confident	142 Å²	142	110.4 Å²	110.4	62%	0.617	63%	0.626	S	S	*	*	H	α-helix	trans	-60.1	-41.7	179.6	-73.8	-179.7	179.3	-173.8	0	112.6	G7 M8 W13 E14 L15	G7-K11 WeakPolarHBondContact O-CG 3.49Å; G7-K11 PolarHBondContact O-N 3.38Å; M8-K11 PolarHBondContact O-N 3.07Å; K11-W13 VanDerWaalsContact C-N 3.31Å; K11-E14 PolarHBondContact O-N 3.36Å; K11-L15 WeakPolarHBondContact O-CB 3.37Å; K11-L15 PolarHBondContact O-N 3.04Å
12	T	92.6	Very high	82.7	Confident	83 Å²	83	103.5 Å²	103.5	51%	0.509	61%	0.606	S	S	.	*	H	α-helix	trans	-63	-40.5	176.2	-61.1	0	0	0	0	111.3	M8 Q10 A16	M8-T12 PolarHBondContact O-N 3.4Å; M8-T12 PolarHBondContact O-OG1 3.12Å; M8-T12 VanDerWaalsContact O-OG1 3.1Å; Q10-T12 VanDerWaalsContact C-N 3.33Å; Q10-T12 PolarHBondContact O-N 3.29Å; T12-A16 VanDerWaalsContact O-CB 3.25Å; T12-A16 WeakPolarHBondContact O-CB 3.46Å; T12-A16 PolarHBondContact O-N 2.91Å
13	W	92.7	Very high	83.4	Confident	137 Å²	137	106.9 Å²	106.9	52%	0.519	61%	0.606	S	S	.	*	H	α-helix	trans	-67.1	-44.4	177.4	-179.2	88.2	0	0	0	112.4	A9 Q10 K11 L15 A16 N17 M19	A9-W13 WeakPolarHBondContact O-CB 3.4Å; A9-W13 PolarHBondContact O-N 3.1Å; Q10-W13 WeakPolarHBondContact O-CB 3.39Å; Q10-W13 PolarHBondContact O-N 3.19Å; Q10-W13 VanDerWaalsContact O-N 3.12Å; K11-W13 VanDerWaalsContact C-N 3.31Å; W13-L15 VanDerWaalsContact C-N 3.33Å; W13-L15 PolarHBondContact O-N 2.8Å; W13-A16 PolarHBondContact O-N 3.48Å; W13-N17 VanDerWaalsContact CD1-ND2 3.28Å; W13-N17 PolarHBondContact NE1-ND2 3.04Å; W13-N17 WeakPolarHBondContact O-CB 3.25Å; W13-N17 PolarHBondContact O-N 3.44Å; W13-N17 PolarHBondContact O-ND2 3.42Å; W13-M19 HydrophobicContact CE3-CE 4.24Å; W13-M19 HydrophobicContact CE3-SD 4.29Å; W13-M19 HydrophobicContact CH2-CE 3.08Å; W13-M19 HydrophobicContact CH2-SD 3.84Å; W13-M19 HydrophobicContact CZ2-CE 3.99Å; W13-M19 HydrophobicContact CZ3-CE 3.23Å; W13-M19 HydrophobicContact CZ3-SD 3.35Å; W13-M19 WeakPolarHBondContact CZ3-SD 3.38Å
14	E	92.5	Very high	84.4	Confident	71 Å²	71	105 Å²	105	33%	0.332	59%	0.587	S	S	.	*	H	α-helix	trans	-58.5	-46	176	-73.1	168.3	-180	0	0	111.2	Q10 K11 N17 N18 M19	Q10-E14 HydrophobicContact CG-CG 4.5Å; Q10-E14 WeakPolarHBondContact CG-OE1 3.46Å; Q10-E14 PolarHBondContact NE2-OE1 2.87Å; Q10-E14 WeakPolarHBondContact O-CG 3.41Å; Q10-E14 PolarHBondContact O-N 3.21Å; K11-E14 PolarHBondContact O-N 3.36Å; E14-N17 PolarHBondContact O-N 3.45Å; E14-N18 PolarHBondContact O-N 2.92Å; E14-M19 HydrophobicContact CB-CB 4.35Å; E14-M19 HydrophobicContact CG-SD 4.45Å; E14-M19 PolarHBondContact O-N 3.02Å
15	L	89.2	Confident	85.1	Confident	143 Å²	143	106 Å²	106	75%	0.749	58%	0.584	S	S	*	*	H	α-helix	trans	-62.8	-49.3	177.1	-168.6	92.9	0	0	0	111.8	K11 W13 N17 N18	K11-L15 WeakPolarHBondContact O-CB 3.37Å; K11-L15 PolarHBondContact O-N 3.04Å; W13-L15 VanDerWaalsContact C-N 3.33Å; W13-L15 PolarHBondContact O-N 2.8Å; L15-N17 PolarHBondContact O-N 3.21Å; L15-N18 PolarHBondContact O-N 3.22Å
16	A	92.8	Very high	85.5	Confident	73 Å²	73	105.8 Å²	105.8	60%	0.603	57%	0.573	S	S	*	*	H	α-helix	trans	-64.8	-28.7	-177	0	0	0	0	0	113	T12 W13	T12-A16 VanDerWaalsContact O-CB 3.25Å; T12-A16 WeakPolarHBondContact O-CB 3.46Å; T12-A16 PolarHBondContact O-N 2.91Å; W13-A16 PolarHBondContact O-N 3.48Å
17	N	92.9	Very high	85.7	Confident	89 Å²	89	105.1 Å²	105.1	48%	0.476	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.7	6.8	179.9	-68	-82.7	0	0	0	113.5	W13 E14 L15 M19	W13-N17 VanDerWaalsContact CD1-ND2 3.28Å; W13-N17 PolarHBondContact NE1-ND2 3.04Å; W13-N17 WeakPolarHBondContact O-CB 3.25Å; W13-N17 PolarHBondContact O-N 3.44Å; W13-N17 PolarHBondContact O-ND2 3.42Å; E14-N17 PolarHBondContact O-N 3.45Å; L15-N17 PolarHBondContact O-N 3.21Å; N17-M19 PolarHBondContact O-N 3.27Å; N17-M19 VanDerWaalsContact O-N 3.17Å
18	N	87.4	Confident	85.9	Confident	137 Å²	137	105.4 Å²	105.4	73%	0.733	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.9	40.7	-175.5	-58.8	-63.2	0	0	0	112.2	E14 L15 Q20	E14-N18 PolarHBondContact O-N 2.92Å; L15-N18 PolarHBondContact O-N 3.22Å; N18-Q20 PolarHBondContact O-N 3.19Å
19	M	83.7	Confident	85.9	Confident	101 Å²	101	102.8 Å²	102.8	50%	0.498	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-64.8	121	-173.9	-172.4	153.4	-72.6	0	0	109.7	W13 E14 N17	W13-M19 HydrophobicContact CE3-CE 4.24Å; W13-M19 HydrophobicContact CE3-SD 4.29Å; W13-M19 HydrophobicContact CH2-CE 3.08Å; W13-M19 HydrophobicContact CH2-SD 3.84Å; W13-M19 HydrophobicContact CZ2-CE 3.99Å; W13-M19 HydrophobicContact CZ3-CE 3.23Å; W13-M19 HydrophobicContact CZ3-SD 3.35Å; W13-M19 WeakPolarHBondContact CZ3-SD 3.38Å; E14-M19 HydrophobicContact CB-CB 4.35Å; E14-M19 HydrophobicContact CG-SD 4.45Å; E14-M19 PolarHBondContact O-N 3.02Å; N17-M19 PolarHBondContact O-N 3.27Å; N17-M19 VanDerWaalsContact O-N 3.17Å
20	Q	77.8	Confident	85.9	Confident	178 Å²	178	106.8 Å²	106.8	83%	0.832	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-94.6	130.8	177	-63.7	-176.7	0.9	0	0	109.3	N18 A22	N18-Q20 PolarHBondContact O-N 3.19Å; Q20-A22 PolarHBondContact O-N 3.44Å
21	E	71.9	Confident	86	Confident	191 Å²	191	104 Å²	104	89%	0.893	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-67.4	128.4	168.5	-70.5	-174.5	170.3	0	0	109
22	A	71.7	Confident	86.1	Confident	89 Å²	89	101.1 Å²	101.1	74%	0.736	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-61.7	152.1	168.5	0	0	0	0	0	109.9	Q20 S24	Q20-A22 PolarHBondContact O-N 3.44Å; A22-S24 PolarHBondContact O-N 3.4Å
23	Q	67.9	Low	86.1	Confident	166 Å²	166	103.5 Å²	103.5	78%	0.776	52%	0.522	S	S	*	.			trans	-48.8	114.8	177.6	-77	-176.9	-33.1	0	0	110.3
24	S	76.7	Confident	86.1	Confident	53 Å²	53	103.4 Å²	103.4	37%	0.371	53%	0.526	S	S	.	.			trans	-73.8	142.6	-177.1	177.9	0	0	0	0	109.6	A22 D26 E27	A22-S24 PolarHBondContact O-N 3.4Å; S24-D26 PolarHBondContact O-N 3.37Å; S24-D26 PolarHBondContact OG-N 3.17Å; S24-D26 VanDerWaalsContact OG-N 3.15Å; S24-E27 WeakPolarHBondContact O-CB 3.14Å; S24-E27 WeakPolarHBondContact O-CG 3.45Å; S24-E27 PolarHBondContact O-N 3.23Å
25	I	81.8	Confident	86.1	Confident	111 Å²	111	103.9 Å²	103.9	57%	0.569	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-52.8	-21.3	167.4	56.8	166.2	0	0	0	112.6	E27 I28	I25-E27 VanDerWaalsContact C-N 3.34Å; I25-I28 WeakPolarHBondContact O-CG2 3.37Å
26	D	88.9	Confident	86.3	Confident	42 Å²	42	97.6 Å²	97.6	23%	0.225	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-82.6	-6.5	-179.2	-62.4	-23.9	0	0	0	113.3	S24 I28 Y29 S231 S232	S24-D26 PolarHBondContact O-N 3.37Å; S24-D26 PolarHBondContact OG-N 3.17Å; S24-D26 VanDerWaalsContact OG-N 3.15Å; D26-I28 PolarHBondContact O-N 3.31Å; D26-Y29 WeakPolarHBondContact O-CB 3.38Å; D26-Y29 PolarHBondContact O-N 3.5Å; D26-S231 WeakPolarHBondContact OD1-CA 3.42Å; D26-S231 WeakPolarHBondContact OD1-CB 3.46Å; D26-S232 PolarHBondContact OD1-N 3.26Å; D26-S232 VanDerWaalsContact OD2-CB 3.3Å; D26-S232 WeakPolarHBondContact OD2-CB 3.33Å; D26-S232 PolarHBondContact OD2-OG 2.98Å
27	E	89.5	Confident	86.3	Confident	74 Å²	74	99.5 Å²	99.5	35%	0.346	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-59.5	-32.5	178	-75.2	-175.2	174.3	0	0	112.9	S24 I25 Y29 K30	S24-E27 WeakPolarHBondContact O-CB 3.14Å; S24-E27 WeakPolarHBondContact O-CG 3.45Å; S24-E27 PolarHBondContact O-N 3.23Å; I25-E27 VanDerWaalsContact C-N 3.34Å; E27-Y29 PolarHBondContact O-N 3.07Å; E27-K30 WeakPolarHBondContact O-CB 3.45Å; E27-K30 PolarHBondContact O-N 2.99Å
28	I	92.3	Very high	86.4	Confident	38 Å²	38	100.4 Å²	100.4	20%	0.195	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-58.4	-19.7	174.9	-166.1	168.9	0	0	0	112.7	I25 D26 K56 K84 I91 F229	I25-I28 WeakPolarHBondContact O-CG2 3.37Å; D26-I28 PolarHBondContact O-N 3.31Å; I28-K56 HydrophobicContact CD1-CD 3.99Å; I28-K84 VanDerWaalsContact O-CE 3.26Å; I28-K84 WeakPolarHBondContact O-CE 3.35Å; I28-K84 PolarHBondContact O-NZ 2.88Å; I28-I91 HydrophobicContact CD1-CD1 4.21Å; I28-I91 HydrophobicContact CD1-CG2 4.1Å; I28-I91 HydrophobicContact CG1-CD1 4.1Å; I28-I91 HydrophobicContact CG1-CG2 4.17Å; I28-F229 HydrophobicContact CD1-CD1 3.96Å; I28-F229 HydrophobicContact CD1-CD2 3.99Å; I28-F229 HydrophobicContact CD1-CE1 3.99Å; I28-F229 HydrophobicContact CD1-CE2 4.02Å; I28-F229 HydrophobicContact CD1-CG 3.95Å; I28-F229 HydrophobicContact CD1-CZ 4.02Å; I28-F229 HydrophobicContact CG1-CE2 4.23Å; I28-F229 HydrophobicContact CG1-CZ 4.39Å; I28-F229 HydrophobicContact CG2-CD2 3.6Å; I28-F229 HydrophobicContact CG2-CE2 3.7Å; I28-F229 HydrophobicContact CG2-CG 4.46Å
29	Y	91.4	Very high	86.6	Confident	65 Å²	65	95.4 Å²	95.4	26%	0.255	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-87.3	-9.9	177.2	-65	-101.1	0	0	0	113.8	D26 E27 M93 F229 K230 S231 D234	D26-Y29 WeakPolarHBondContact O-CB 3.38Å; D26-Y29 PolarHBondContact O-N 3.5Å; E27-Y29 PolarHBondContact O-N 3.07Å; Y29-M93 HydrophobicContact CD1-CE 3.14Å; Y29-M93 HydrophobicContact CD2-CE 4.47Å; Y29-M93 HydrophobicContact CE1-CE 3.67Å; Y29-M93 HydrophobicContact CG-CE 3.61Å; Y29-F229 HydrophobicContact CD2-CE2 4.43Å; Y29-F229 HydrophobicContact CE1-CE2 4.07Å; Y29-F229 AromaticContact CE2-CD2 3.76Å; Y29-F229 HydrophobicContact CE2-CD2 3.76Å; Y29-F229 AromaticContact CE2-CE2 3.73Å; Y29-F229 HydrophobicContact CE2-CE2 3.73Å; Y29-F229 AromaticContact CZ-CD2 3.78Å; Y29-F229 AromaticContact CZ-CE2 3.52Å; Y29-K230 WeakPolarHBondContact OH-CA 3.47Å; Y29-S231 PolarHBondContact OH-N 3.27Å; Y29-D234 PolarHBondContact OH-OD2 3.14Å; Y29-D234 VanDerWaalsContact OH-OD2 3.08Å
30	K	91	Very high	87	Confident	147 Å²	147	93.8 Å²	93.8	64%	0.639	46%	0.458	S	S	*	.			trans	-74.9	129.9	178.1	-67.2	178.9	179.4	170.5	0	111.1	E27 K84	E27-K30 WeakPolarHBondContact O-CB 3.45Å; E27-K30 PolarHBondContact O-N 2.99Å; K30-K84 PolarHBondContact O-NZ 3.44Å
31	Y	91.7	Very high	87.7	Confident	55 Å²	55	89.3 Å²	89.3	22%	0.216	45%	0.451	C	S	.	.			trans	-101.4	116.9	178.5	-174.9	-91.9	0	0	0	111.4	K33 Q36 K84 L130 E131	Y31-K33 HydrophobicContact CD1-CB 4.34Å; Y31-K33 HydrophobicContact CE1-CB 3.77Å; Y31-K33 HydrophobicContact CE1-CG 4.26Å; Y31-Q36 HydrophobicContact CE2-CG 3.85Å; Y31-K84 HydrophobicContact CD2-CD 4.36Å; Y31-L130 HydrophobicContact CD1-CB 3.51Å; Y31-L130 HydrophobicContact CD1-CD1 3.97Å; Y31-L130 HydrophobicContact CD1-CG 4.39Å; Y31-L130 HydrophobicContact CD2-CB 4.49Å; Y31-L130 HydrophobicContact CE1-CB 3.76Å; Y31-L130 HydrophobicContact CG-CB 3.91Å; Y31-E131 HydrophobicContact CD2-CG 3.98Å; Y31-E131 HydrophobicContact CE2-CG 4.36Å
32	D	92.2	Very high	88.7	Confident	81 Å²	81	83.5 Å²	83.5	43%	0.433	44%	0.436	S	S	.	.			trans	-101.9	103.9	170.7	-174.1	-24.3	0	0	0	110.3	K34 Q35 Q36	D32-K34 VanDerWaalsContact C-N 3.3Å; D32-K34 PolarHBondContact O-N 3.28Å; D32-K34 WeakPolarHBondContact OD1-CA 3.33Å; D32-K34 WeakPolarHBondContact OD1-CB 3.46Å; D32-K34 PolarHBondContact OD1-N 3.19Å; D32-Q35 HydrophobicContact CB-CB 3.79Å; D32-Q35 PolarHBondContact O-N 2.9Å; D32-Q35 PolarHBondContact OD1-N 3.1Å; D32-Q36 VanDerWaalsContact O-CG 3.29Å; D32-Q36 WeakPolarHBondContact O-CG 3.28Å; D32-Q36 PolarHBondContact O-N 3.16Å
33	K	91.6	Very high	89.7	Confident	132 Å²	132	84.7 Å²	84.7	57%	0.574	43%	0.425	S	S	*	.	H	α-helix	trans	-60.6	-38.2	179.9	-172.4	176.4	179.4	179.1	0	112.7	Y31 Q37	Y31-K33 HydrophobicContact CD1-CB 4.34Å; Y31-K33 HydrophobicContact CE1-CB 3.77Å; Y31-K33 HydrophobicContact CE1-CG 4.26Å; K33-Q37 WeakPolarHBondContact O-CB 3.49Å; K33-Q37 VanDerWaalsContact O-CG 3.26Å; K33-Q37 WeakPolarHBondContact O-CG 3.3Å; K33-Q37 PolarHBondContact O-N 3.22Å
34	K	93.5	Very high	90.8	Very high	136 Å²	136	78.4 Å²	78.4	59%	0.591	40%	0.398	S	S	*	.	H	α-helix	trans	-69.8	-47.3	-176.9	-177.9	-176.6	171.3	-170.9	0	109.7	D32 Q36 Q37 E38	D32-K34 VanDerWaalsContact C-N 3.3Å; D32-K34 PolarHBondContact O-N 3.28Å; D32-K34 WeakPolarHBondContact OD1-CA 3.33Å; D32-K34 WeakPolarHBondContact OD1-CB 3.46Å; D32-K34 PolarHBondContact OD1-N 3.19Å; K34-Q36 VanDerWaalsContact C-N 3.31Å; K34-Q36 PolarHBondContact O-N 3.43Å; K34-Q37 PolarHBondContact O-N 3.1Å; K34-E38 WeakPolarHBondContact CE-OE1 3.3Å; K34-E38 IonicContact NZ-OE1 2.92Å; K34-E38 WeakPolarHBondContact O-CG 3.37Å; K34-E38 PolarHBondContact O-N 3.29Å
35	Q	92.4	Very high	91.5	Very high	80 Å²	80	76.7 Å²	76.7	37%	0.374	38%	0.384	S	S	.	.	H	α-helix	trans	-56.7	-45.8	175.6	-172	-166.5	33.8	0	0	111.4	D32 Q37 E38 I39	D32-Q35 HydrophobicContact CB-CB 3.79Å; D32-Q35 PolarHBondContact O-N 2.9Å; D32-Q35 PolarHBondContact OD1-N 3.1Å; Q35-Q37 PolarHBondContact O-N 3.35Å; Q35-E38 PolarHBondContact O-N 3.01Å; Q35-I39 HydrophobicContact CG-CD1 4.11Å; Q35-I39 WeakPolarHBondContact O-CG1 3.47Å; Q35-I39 PolarHBondContact O-N 2.87Å
36	Q	93.8	Very high	91.9	Very high	12 Å²	12	75.5 Å²	75.5	6%	0.056	38%	0.382	C	S	.	.	H	α-helix	trans	-63.3	-40.6	178.5	-67	-57.7	-60.3	0	0	112.1	Y31 D32 K34 I39 L40 V85	Y31-Q36 HydrophobicContact CE2-CG 3.85Å; D32-Q36 VanDerWaalsContact O-CG 3.29Å; D32-Q36 WeakPolarHBondContact O-CG 3.28Å; D32-Q36 PolarHBondContact O-N 3.16Å; K34-Q36 VanDerWaalsContact C-N 3.31Å; K34-Q36 PolarHBondContact O-N 3.43Å; Q36-I39 PolarHBondContact O-N 3.02Å; Q36-L40 WeakPolarHBondContact O-CB 3.39Å; Q36-L40 VanDerWaalsContact O-CG 3.23Å; Q36-L40 WeakPolarHBondContact O-CG 3.27Å; Q36-L40 PolarHBondContact O-N 3.4Å; Q36-V85 PolarHBondContact NE2-O 3.48Å
37	Q	92.8	Very high	91.9	Very high	112 Å²	112	82.7 Å²	82.7	52%	0.523	41%	0.411	S	S	.	.	H	α-helix	trans	-64	-39.9	175.7	-74.8	175.6	-22.8	0	0	112.5	K33 K34 Q35 L40 A41	K33-Q37 WeakPolarHBondContact O-CB 3.49Å; K33-Q37 VanDerWaalsContact O-CG 3.26Å; K33-Q37 WeakPolarHBondContact O-CG 3.3Å; K33-Q37 PolarHBondContact O-N 3.22Å; K34-Q37 PolarHBondContact O-N 3.1Å; Q35-Q37 PolarHBondContact O-N 3.35Å; Q37-L40 PolarHBondContact O-N 3.09Å; Q37-A41 WeakPolarHBondContact O-CB 3.39Å; Q37-A41 PolarHBondContact O-N 2.82Å
38	E	94.3	Very high	91.9	Very high	109 Å²	109	82.5 Å²	82.5	51%	0.509	41%	0.412	S	S	.	.	H	α-helix	trans	-64.7	-43.2	177.1	-72.8	173.3	177.1	0	0	111.9	K34 Q35 A41 A42	K34-E38 WeakPolarHBondContact CE-OE1 3.3Å; K34-E38 IonicContact NZ-OE1 2.92Å; K34-E38 WeakPolarHBondContact O-CG 3.37Å; K34-E38 PolarHBondContact O-N 3.29Å; Q35-E38 PolarHBondContact O-N 3.01Å; E38-A41 PolarHBondContact O-N 3.19Å; E38-A42 WeakPolarHBondContact O-CB 3.5Å; E38-A42 PolarHBondContact O-N 3.25Å
39	I	92.9	Very high	91.7	Very high	32 Å²	32	84.1 Å²	84.1	16%	0.164	42%	0.419	C	S	.	.	H	α-helix	trans	-62.4	-45.5	176	-65.6	164.6	0	0	0	110.8	Q35 Q36 A41 A42 K43 W45 V85	Q35-I39 HydrophobicContact CG-CD1 4.11Å; Q35-I39 WeakPolarHBondContact O-CG1 3.47Å; Q35-I39 PolarHBondContact O-N 2.87Å; Q36-I39 PolarHBondContact O-N 3.02Å; I39-A41 VanDerWaalsContact C-N 3.28Å; I39-A41 PolarHBondContact O-N 2.93Å; I39-A42 PolarHBondContact O-N 3.38Å; I39-K43 PolarHBondContact O-N 3.41Å; I39-W45 HydrophobicContact CG2-CH2 4.15Å; I39-W45 HydrophobicContact CG2-CZ3 3.72Å; I39-V85 HydrophobicContact CB-CG2 4.31Å; I39-V85 HydrophobicContact CD1-CG2 4.26Å; I39-V85 HydrophobicContact CG2-CG2 3.56Å
40	L	90.7	Very high	91.7	Very high	67 Å²	67	83.7 Å²	83.7	35%	0.351	42%	0.419	S	S	.	.	H	α-helix	trans	-64.8	-30.8	177.3	-70.6	170.9	0	0	0	113	Q36 Q37 K43 W45 P164	Q36-L40 WeakPolarHBondContact O-CB 3.39Å; Q36-L40 VanDerWaalsContact O-CG 3.23Å; Q36-L40 WeakPolarHBondContact O-CG 3.27Å; Q36-L40 PolarHBondContact O-N 3.4Å; Q37-L40 PolarHBondContact O-N 3.09Å; L40-K43 WeakPolarHBondContact O-CE 3.44Å; L40-K43 WeakPolarHBondContact O-CG 2.84Å; L40-W45 HydrophobicContact CD2-CH2 4.11Å; L40-W45 HydrophobicContact CD2-CZ2 4.45Å; L40-P164 HydrophobicContact CD2-CG 4.31Å
41	A	92.7	Very high	91.9	Very high	83 Å²	83	78.9 Å²	78.9	69%	0.686	40%	0.397	S	S	*	.	H	α-helix	trans	-73.8	-40.1	173.9	0	0	0	0	0	111.7	Q37 E38 I39	Q37-A41 WeakPolarHBondContact O-CB 3.39Å; Q37-A41 PolarHBondContact O-N 2.82Å; E38-A41 PolarHBondContact O-N 3.19Å; I39-A41 VanDerWaalsContact C-N 3.28Å; I39-A41 PolarHBondContact O-N 2.93Å
42	A	93.2	Very high	92.1	Very high	70 Å²	70	76.3 Å²	76.3	58%	0.579	39%	0.387	S	S	*	.	H	α-helix	trans	-71.9	-30.7	-179.1	0	0	0	0	0	113.6	E38 I39	E38-A42 WeakPolarHBondContact O-CB 3.5Å; E38-A42 PolarHBondContact O-N 3.25Å; I39-A42 PolarHBondContact O-N 3.38Å
43	K	92.5	Very high	92.3	Very high	113 Å²	113	75.6 Å²	75.6	49%	0.491	38%	0.381	S	S	.	.			trans	43.9	53.8	179.7	-56.7	-171.1	176.9	-176.5	0	113.8	I39 L40 W45 T46	I39-K43 PolarHBondContact O-N 3.41Å; L40-K43 WeakPolarHBondContact O-CE 3.44Å; L40-K43 WeakPolarHBondContact O-CG 2.84Å; K43-W45 HydrophobicContact CB-CZ2 4.11Å; K43-W45 HydrophobicContact CG-CZ2 4.01Å; K43-W45 PolarHBondContact O-N 3.44Å; K43-W45 VanDerWaalsContact O-N 3.14Å; K43-T46 HydrophobicContact CB-CG2 3.8Å; K43-T46 HydrophobicContact CD-CG2 4.46Å; K43-T46 WeakPolarHBondContact O-CB 3.23Å; K43-T46 PolarHBondContact O-N 2.99Å; K43-T46 PolarHBondContact O-OG1 3.49Å
44	P	92	Very high	92.7	Very high	34 Å²	34	73.5 Å²	73.5	22%	0.221	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-57.3	-32.6	-173.9	23.2	-34.6	0	0	0	113.7	T46 K47 Y51	P44-T46 PolarHBondContact O-N 3.27Å; P44-T46 VanDerWaalsContact O-N 3.1Å; P44-K47 PolarHBondContact O-N 2.94Å; P44-K47 VanDerWaalsContact O-N 3.08Å; P44-Y51 HydrophobicContact CB-CD2 4.28Å; P44-Y51 HydrophobicContact CB-CE1 4.19Å; P44-Y51 HydrophobicContact CB-CE2 3.8Å; P44-Y51 HydrophobicContact CG-CD1 4.4Å; P44-Y51 HydrophobicContact CG-CE1 3.69Å; P44-Y51 HydrophobicContact CG-CE2 4.16Å
45	W	91.4	Very high	92.9	Very high	17 Å²	17	67 Å²	67	6%	0.064	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-62.1	-11.6	175.3	54	83.3	0	0	0	115.2	I39 L40 K43 K47 D48 Y51 F52 E163 P164	I39-W45 HydrophobicContact CG2-CH2 4.15Å; I39-W45 HydrophobicContact CG2-CZ3 3.72Å; L40-W45 HydrophobicContact CD2-CH2 4.11Å; L40-W45 HydrophobicContact CD2-CZ2 4.45Å; K43-W45 HydrophobicContact CB-CZ2 4.11Å; K43-W45 HydrophobicContact CG-CZ2 4.01Å; K43-W45 PolarHBondContact O-N 3.44Å; K43-W45 VanDerWaalsContact O-N 3.14Å; W45-K47 VanDerWaalsContact C-N 3.27Å; W45-D48 CarbonylContact O-C 3.6Å; W45-Y51 HydrophobicContact CB-CD1 3.95Å; W45-Y51 HydrophobicContact CB-CG 4.19Å; W45-Y51 HydrophobicContact CE3-CD1 4.38Å; W45-Y51 HydrophobicContact CE3-CE1 4.36Å; W45-F52 HydrophobicContact CB-CD2 4.26Å; W45-F52 HydrophobicContact CB-CE2 3.81Å; W45-F52 AromaticContact CD2-CE2 3.85Å; W45-F52 HydrophobicContact CD2-CE2 3.85Å; W45-F52 HydrophobicContact CD2-CZ 4.07Å; W45-F52 HydrophobicContact CE3-CE1 4.46Å; W45-F52 AromaticContact CE3-CE2 3.63Å; W45-F52 HydrophobicContact CE3-CE2 3.63Å; W45-F52 AromaticContact CE3-CZ 3.37Å; W45-F52 HydrophobicContact CE3-CZ 3.37Å; W45-F52 AromaticContact CG-CE2 3.94Å; W45-F52 HydrophobicContact CG-CE2 3.94Å; W45-F52 HydrophobicContact CZ3-CE2 4.43Å; W45-F52 AromaticContact CZ3-CZ 3.83Å; W45-F52 HydrophobicContact CZ3-CZ 3.83Å; W45-E163 HydrophobicContact CZ2-CG 4.44Å; W45-P164 HydrophobicContact CH2-CB 4.42Å; W45-P164 HydrophobicContact CH2-CG 3.98Å; W45-P164 HydrophobicContact CZ2-CB 4.44Å; W45-P164 HydrophobicContact CZ2-CG 4.3Å; W45-P164 HydrophobicContact CZ3-CG 4.29Å
46	T	88.9	Confident	93.2	Very high	86 Å²	86	66.7 Å²	66.7	53%	0.528	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-74.4	-20.7	173.3	58.6	0	0	0	0	112.7	K43 P44	K43-T46 HydrophobicContact CB-CG2 3.8Å; K43-T46 HydrophobicContact CD-CG2 4.46Å; K43-T46 WeakPolarHBondContact O-CB 3.23Å; K43-T46 PolarHBondContact O-N 2.99Å; K43-T46 PolarHBondContact O-OG1 3.49Å; P44-T46 PolarHBondContact O-N 3.27Å; P44-T46 VanDerWaalsContact O-N 3.1Å
47	K	89.4	Confident	93.4	Very high	194 Å²	194	66.1 Å²	66.1	84%	0.843	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-27.9	178.4	-61.6	179.7	-178.7	176.9	0	112.7	P44 W45	P44-K47 PolarHBondContact O-N 2.94Å; P44-K47 VanDerWaalsContact O-N 3.08Å; W45-K47 VanDerWaalsContact C-N 3.27Å
48	D	90.1	Very high	93.6	Very high	69 Å²	69	60.8 Å²	60.8	37%	0.369	31%	0.311	S	S	.	.			trans	-134.2	111.6	-179.3	178.5	7.2	0	0	0	109.7	W45 H50 Y51	W45-D48 CarbonylContact O-C 3.6Å; D48-H50 PolarHBondContact O-N 3.24Å; D48-H50 VanDerWaalsContact O-N 3.16Å; D48-H50 WeakPolarHBondContact OD1-CA 3.35Å; D48-H50 PolarHBondContact OD1-N 3.33Å; D48-Y51 VanDerWaalsContact O-CB 3.22Å; D48-Y51 WeakPolarHBondContact O-CB 3.45Å; D48-Y51 PolarHBondContact O-N 2.62Å
49	H	88.1	Confident	93.6	Very high	72 Å²	72	56.6 Å²	56.6	33%	0.333	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.3	179	-58.6	145.4	0	0	0	113.2	Y189 Y193 Y222	H49-Y189 HydrophobicContact CB-CD1 4.41Å; H49-Y193 AromaticContact CE1-CD2 3.73Å; H49-Y193 AromaticContact ND1-CD2 3.19Å; H49-Y193 WeakPolarHBondContact ND1-CD2 3.16Å; H49-Y193 AromaticContact ND1-CE2 3.29Å; H49-Y193 VanDerWaalsContact ND1-CE2 3.29Å; H49-Y193 WeakPolarHBondContact ND1-CE2 3.25Å; H49-Y193 AromaticContact ND1-CG 3.79Å; H49-Y193 AromaticContact ND1-CZ 3.95Å; H49-Y222 VanDerWaalsContact O-CE1 3.32Å; H49-Y222 WeakPolarHBondContact O-CE1 3.34Å; H49-Y222 PolarHBondContact O-OH 2.88Å
50	H	90.6	Very high	93.7	Very high	56 Å²	56	57.8 Å²	57.8	26%	0.259	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	24.3	175.6	-156	78.1	0	0	0	112.4	D48 F52 Y222	D48-H50 PolarHBondContact O-N 3.24Å; D48-H50 VanDerWaalsContact O-N 3.16Å; D48-H50 WeakPolarHBondContact OD1-CA 3.35Å; D48-H50 PolarHBondContact OD1-N 3.33Å; H50-F52 VanDerWaalsContact C-N 3.35Å; H50-F52 PolarHBondContact O-N 2.96Å; H50-Y222 AromaticContact CE1-CD2 3.24Å; H50-Y222 WeakPolarHBondContact CE1-CD2 3.35Å; H50-Y222 AromaticContact CE1-CE2 3.75Å; H50-Y222 AromaticContact CE1-CG 3.62Å; H50-Y222 AromaticContact ND1-CD1 3.8Å; H50-Y222 AromaticContact ND1-CD2 3.31Å; H50-Y222 VanDerWaalsContact ND1-CD2 3.31Å; H50-Y222 WeakPolarHBondContact ND1-CD2 3.41Å; H50-Y222 AromaticContact ND1-CE1 3.97Å; H50-Y222 AromaticContact ND1-CE2 3.53Å; H50-Y222 AromaticContact ND1-CG 3.44Å; H50-Y222 AromaticContact ND1-CZ 3.84Å
51	Y	94.8	Very high	94	Very high	46 Å²	46	54.6 Å²	54.6	18%	0.18	29%	0.285	C	S	.	.			trans	-57.4	-43.6	179.7	178	-102.8	0	0	0	113.4	P44 W45 D48 K53 G87 E88	P44-Y51 HydrophobicContact CB-CD2 4.28Å; P44-Y51 HydrophobicContact CB-CE1 4.19Å; P44-Y51 HydrophobicContact CB-CE2 3.8Å; P44-Y51 HydrophobicContact CG-CD1 4.4Å; P44-Y51 HydrophobicContact CG-CE1 3.69Å; P44-Y51 HydrophobicContact CG-CE2 4.16Å; W45-Y51 HydrophobicContact CB-CD1 3.95Å; W45-Y51 HydrophobicContact CB-CG 4.19Å; W45-Y51 HydrophobicContact CE3-CD1 4.38Å; W45-Y51 HydrophobicContact CE3-CE1 4.36Å; D48-Y51 VanDerWaalsContact O-CB 3.22Å; D48-Y51 WeakPolarHBondContact O-CB 3.45Å; D48-Y51 PolarHBondContact O-N 2.62Å; Y51-K53 PolarHBondContact O-N 2.6Å; Y51-G87 WeakPolarHBondContact CE1-O 3.44Å; Y51-G87 PolarHBondContact OH-O 3.04Å; Y51-E88 HydrophobicContact CE2-CG 4.23Å; Y51-E88 VanDerWaalsContact O-CB 3.25Å; Y51-E88 WeakPolarHBondContact O-CB 3.48Å; Y51-E88 WeakPolarHBondContact O-CG 3.48Å
52	F	97.2	Very high	94.3	Very high	1 Å²	1	52 Å²	52	0%	0.004	26%	0.259	C	S	.	.			trans	-85.1	114.5	177.9	-68	-67.7	0	0	0	109.9	W45 H50 V85 E88 M90 P164 Y222 L224	W45-F52 HydrophobicContact CB-CD2 4.26Å; W45-F52 HydrophobicContact CB-CE2 3.81Å; W45-F52 AromaticContact CD2-CE2 3.85Å; W45-F52 HydrophobicContact CD2-CE2 3.85Å; W45-F52 HydrophobicContact CD2-CZ 4.07Å; W45-F52 HydrophobicContact CE3-CE1 4.46Å; W45-F52 AromaticContact CE3-CE2 3.63Å; W45-F52 HydrophobicContact CE3-CE2 3.63Å; W45-F52 AromaticContact CE3-CZ 3.37Å; W45-F52 HydrophobicContact CE3-CZ 3.37Å; W45-F52 AromaticContact CG-CE2 3.94Å; W45-F52 HydrophobicContact CG-CE2 3.94Å; W45-F52 HydrophobicContact CZ3-CE2 4.43Å; W45-F52 AromaticContact CZ3-CZ 3.83Å; W45-F52 HydrophobicContact CZ3-CZ 3.83Å; H50-F52 VanDerWaalsContact C-N 3.35Å; H50-F52 PolarHBondContact O-N 2.96Å; F52-V85 HydrophobicContact CE1-CB 4.25Å; F52-V85 HydrophobicContact CE1-CG1 3.87Å; F52-V85 HydrophobicContact CZ-CG1 3.99Å; F52-E88 WeakPolarHBondContact CA-O 3.45Å; F52-M90 HydrophobicContact CB-CG 4.28Å; F52-M90 HydrophobicContact CB-SD 4.31Å; F52-M90 HydrophobicContact CD1-CG 3.51Å; F52-M90 HydrophobicContact CD1-SD 4.21Å; F52-M90 HydrophobicContact CD2-SD 4.15Å; F52-M90 HydrophobicContact CE1-CG 3.88Å; F52-M90 HydrophobicContact CG-CG 3.86Å; F52-M90 HydrophobicContact CG-SD 3.97Å; F52-P164 HydrophobicContact CE2-CB 3.67Å; F52-P164 HydrophobicContact CZ-CB 3.65Å; F52-P164 HydrophobicContact CZ-CG 4.26Å; F52-Y222 VanDerWaalsContact O-CE2 3.31Å; F52-Y222 WeakPolarHBondContact O-CE2 3.42Å; F52-L224 HydrophobicContact CB-CD2 4.18Å
53	K	96.6	Very high	94.3	Very high	67 Å²	67	52.5 Å²	52.5	29%	0.291	25%	0.252	S	S	.	.			trans	-110.1	-24	-178.5	-60.9	176.5	-166.4	142.2	0	112.5	Y51 E88 L224 E225	Y51-K53 PolarHBondContact O-N 2.6Å; K53-E88 WeakPolarHBondContact CD-OE2 3.27Å; K53-E88 PolarHBondContact N-O 2.95Å; K53-E88 IonicContact NZ-OE1 3.14Å; K53-E88 PolarHBondContact NZ-OE1 2.67Å; K53-E88 IonicContact NZ-OE2 3.77Å; K53-E88 PolarHBondContact NZ-OE2 3.33Å; K53-L224 CarbonylContact O-C 3.52Å; K53-L224 WeakPolarHBondContact O-CA 3.21Å; K53-E225 PolarHBondContact O-N 2.96Å
54	Y	98.2	Very high	94.5	Very high	87 Å²	87	50.3 Å²	50.3	34%	0.341	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.9	-170.5	-50.2	-74.9	0	0	0	111.7	E88 T89 M90 E225	Y54-E88 HydrophobicContact CD2-CB 4.22Å; Y54-E88 HydrophobicContact CE2-CB 4.42Å; Y54-E88 PolarHBondContact N-O 2.95Å; Y54-T89 WeakPolarHBondContact O-CA 3.46Å; Y54-M90 PolarHBondContact O-N 3.46Å; Y54-E225 WeakPolarHBondContact CA-O 3.48Å; Y54-E225 HydrophobicContact CD1-CB 3.93Å; Y54-E225 HydrophobicContact CD1-CG 4.46Å; Y54-E225 HydrophobicContact CE1-CB 4.4Å
55	C	98.4	Very high	94.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116	172	-171.7	0	0	0	0	109.4	M90 A185 L224 E225 V226 S227	C55-M90 CarbonylContact C-O 3.46Å; C55-M90 WeakPolarHBondContact CA-O 3.42Å; C55-A185 HydrophobicContact CB-CB 3.73Å; C55-L224 HydrophobicContact CB-CB 4.01Å; C55-L224 HydrophobicContact CB-CD2 4.18Å; C55-E225 PolarHBondContact N-O 3.25Å; C55-V226 HydrophobicContact CB-CG2 4.4Å; C55-V226 CarbonylContact O-C 3.55Å; C55-V226 VanDerWaalsContact O-CA 3.32Å; C55-V226 WeakPolarHBondContact O-CA 3.04Å; C55-S227 PolarHBondContact O-N 2.83Å
56	K	98.2	Very high	95	Very high	74 Å²	74	49.1 Å²	49.1	32%	0.322	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125	176.6	-79.6	-178.7	-174.7	176	0	109.5	I28 T89 M90 I91 I92 S227 F229	I28-K56 HydrophobicContact CD1-CD 3.99Å; K56-T89 HydrophobicContact CB-CG2 4.1Å; K56-T89 HydrophobicContact CD-CG2 3.86Å; K56-T89 HydrophobicContact CG-CG2 3.75Å; K56-M90 PolarHBondContact N-O 3.29Å; K56-I91 HydrophobicContact CB-CG1 4.27Å; K56-I91 HydrophobicContact CB-CG2 4.31Å; K56-I91 CarbonylContact O-C 3.48Å; K56-I91 WeakPolarHBondContact O-CA 3.41Å; K56-I92 PolarHBondContact O-N 3.25Å; K56-S227 CarbonylContact C-O 3.57Å; K56-S227 WeakPolarHBondContact CA-O 3.19Å; K56-S227 VanDerWaalsContact CG-OG 3.28Å; K56-S227 WeakPolarHBondContact CG-OG 3.4Å; K56-F229 HydrophobicContact CB-CD1 3.92Å; K56-F229 HydrophobicContact CB-CE1 3.87Å
57	I	98.4	Very high	95.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.2	-178.2	-51.6	-178	0	0	0	109.8	A61 L62 M65 I92 L183 V226 S227 Y228 F229	I57-A61 HydrophobicContact CG2-CB 4.04Å; I57-L62 HydrophobicContact CG2-CB 4.1Å; I57-M65 HydrophobicContact CD1-CE 4.4Å; I57-M65 HydrophobicContact CG2-CE 3.73Å; I57-I92 HydrophobicContact CD1-CD1 4.24Å; I57-I92 HydrophobicContact CG1-CB 4.44Å; I57-I92 HydrophobicContact CG1-CD1 3.92Å; I57-I92 HydrophobicContact CG2-CB 4.48Å; I57-I92 HydrophobicContact CG2-CG2 4.36Å; I57-L183 HydrophobicContact CD1-CD1 3.78Å; I57-L183 HydrophobicContact CD1-CD2 3.55Å; I57-L183 HydrophobicContact CD1-CG 4.38Å; I57-V226 HydrophobicContact CD1-CG1 3.85Å; I57-V226 HydrophobicContact CG1-CG1 4.27Å; I57-S227 PolarHBondContact N-O 2.78Å; I57-Y228 HydrophobicContact CB-CD1 3.97Å; I57-Y228 HydrophobicContact CB-CE1 4.21Å; I57-Y228 HydrophobicContact CD1-CE1 4.33Å; I57-Y228 WeakPolarHBondContact O-CA 3.11Å; I57-F229 VanDerWaalsContact C-CE1 3.41Å; I57-F229 WeakPolarHBondContact O-CD1 3.31Å; I57-F229 PolarHBondContact O-N 3.38Å; I57-F229 VanDerWaalsContact O-N 3.11Å
58	S	96.9	Very high	95.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	146.2	174.2	82.8	0	0	0	0	110.5	L60 A61 L62 I92 M93 F229	S58-L60 PolarHBondContact O-N 3.39Å; S58-A61 PolarHBondContact O-N 3.41Å; S58-A61 VanDerWaalsContact O-N 3.14Å; S58-A61 WeakPolarHBondContact OG-CB 3.29Å; S58-A61 PolarHBondContact OG-N 3.35Å; S58-L62 WeakPolarHBondContact O-CB 3.31Å; S58-L62 PolarHBondContact O-N 2.97Å; S58-I92 PolarHBondContact N-O 3.45Å; S58-M93 WeakPolarHBondContact CB-O 3.42Å; S58-M93 PolarHBondContact OG-O 3.43Å; S58-F229 CarbonylContact C-O 3.35Å; S58-F229 WeakPolarHBondContact CA-O 3.42Å; S58-F229 VanDerWaalsContact N-CE1 3.28Å
59	A	95.6	Very high	95.8	Very high	21 Å²	21	39.9 Å²	39.9	17%	0.174	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-31.8	176.8	0	0	0	0	0	112.3	L63 F229 K230 L238	A59-L63 VanDerWaalsContact O-CB 3.3Å; A59-L63 WeakPolarHBondContact O-CB 3.38Å; A59-L63 PolarHBondContact O-N 2.84Å; A59-F229 PolarHBondContact N-O 3.43Å; A59-K230 HydrophobicContact CB-CB 3.82Å; A59-L238 HydrophobicContact CB-CD1 4.32Å
60	L	94.3	Very high	96	Very high	57 Å²	57	41.9 Å²	41.9	30%	0.298	19%	0.194	S	C	.	.	H	α-helix	trans	-65.4	-51.2	174.7	179.9	64.1	0	0	0	111.7	S58 L62 L63 K64	S58-L60 PolarHBondContact O-N 3.39Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-L62 PolarHBondContact O-N 2.85Å; L60-L63 PolarHBondContact O-N 2.95Å; L60-K64 HydrophobicContact CD1-CG 4.46Å; L60-K64 HydrophobicContact CG-CD 4.44Å; L60-K64 WeakPolarHBondContact O-CG 3.2Å; L60-K64 PolarHBondContact O-N 2.92Å
61	A	97.2	Very high	96.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-45.1	178.3	0	0	0	0	0	110.6	I57 S58 L63 K64 M65 I92 S95	I57-A61 HydrophobicContact CG2-CB 4.04Å; S58-A61 PolarHBondContact O-N 3.41Å; S58-A61 VanDerWaalsContact O-N 3.14Å; S58-A61 WeakPolarHBondContact OG-CB 3.29Å; S58-A61 PolarHBondContact OG-N 3.35Å; A61-L63 PolarHBondContact O-N 3.44Å; A61-K64 PolarHBondContact O-N 2.88Å; A61-M65 HydrophobicContact CB-CE 4.4Å; A61-M65 WeakPolarHBondContact O-CB 3.33Å; A61-M65 VanDerWaalsContact O-CG 3.22Å; A61-M65 WeakPolarHBondContact O-CG 3.2Å; A61-M65 PolarHBondContact O-N 3.41Å; A61-I92 HydrophobicContact CB-CG2 3.7Å; A61-S95 PolarHBondContact O-OG 3.06Å
62	L	97.6	Very high	95.9	Very high	28 Å²	28	42.2 Å²	42.2	15%	0.147	21%	0.211	C	C	.	.	H	α-helix	trans	-54.8	-51.7	176.2	-175.7	65.2	0	0	0	111.4	I57 S58 L60 K64 M65 V66 V181 L183 Y228	I57-L62 HydrophobicContact CG2-CB 4.1Å; S58-L62 WeakPolarHBondContact O-CB 3.31Å; S58-L62 PolarHBondContact O-N 2.97Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-L62 PolarHBondContact O-N 2.85Å; L62-K64 PolarHBondContact O-N 2.8Å; L62-M65 PolarHBondContact O-N 3.34Å; L62-V66 HydrophobicContact CD1-CG2 4.27Å; L62-V66 WeakPolarHBondContact O-CB 3.41Å; L62-V66 VanDerWaalsContact O-CG2 3.25Å; L62-V66 WeakPolarHBondContact O-CG2 3.19Å; L62-V66 PolarHBondContact O-N 2.98Å; L62-V181 HydrophobicContact CD1-CB 4.37Å; L62-V181 HydrophobicContact CD1-CG1 3.79Å; L62-V181 HydrophobicContact CD1-CG2 4.38Å; L62-V181 HydrophobicContact CD2-CG2 4.35Å; L62-V181 HydrophobicContact CG-CG2 4.45Å; L62-L183 HydrophobicContact CD1-CD1 3.74Å; L62-Y228 HydrophobicContact CD1-CD1 4.21Å; L62-Y228 HydrophobicContact CD1-CE1 3.55Å; L62-Y228 HydrophobicContact CD2-CD1 3.66Å; L62-Y228 HydrophobicContact CD2-CE1 3.71Å; L62-Y228 HydrophobicContact CD2-CG 4.31Å; L62-Y228 HydrophobicContact CG-CD1 4.37Å; L62-Y228 HydrophobicContact CG-CE1 4.17Å
63	L	94.8	Very high	95.5	Very high	80 Å²	80	43.6 Å²	43.6	42%	0.419	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-47	-179.1	-177.5	63.8	0	0	0	111.4	A59 L60 A61 M65 V66 M67	A59-L63 VanDerWaalsContact O-CB 3.3Å; A59-L63 WeakPolarHBondContact O-CB 3.38Å; A59-L63 PolarHBondContact O-N 2.84Å; L60-L63 PolarHBondContact O-N 2.95Å; A61-L63 PolarHBondContact O-N 3.44Å; L63-M65 PolarHBondContact O-N 3.23Å; L63-V66 PolarHBondContact O-N 3.17Å; L63-M67 HydrophobicContact CD1-CG 4.15Å; L63-M67 HydrophobicContact CD1-SD 3.96Å; L63-M67 HydrophobicContact CD2-SD 4.41Å; L63-M67 HydrophobicContact CG-CG 4.38Å; L63-M67 HydrophobicContact CG-SD 3.8Å; L63-M67 VanDerWaalsContact O-CB 3.31Å; L63-M67 WeakPolarHBondContact O-CB 3.31Å; L63-M67 WeakPolarHBondContact O-CG 3.39Å; L63-M67 PolarHBondContact O-N 3.26Å
64	K	96.8	Very high	95.1	Very high	68 Å²	68	46.7 Å²	46.7	30%	0.296	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-46.8	178.2	-75.8	-177.3	176.4	-172.6	0	112.4	L60 A61 L62 M67 H68 D94 S95	L60-K64 HydrophobicContact CD1-CG 4.46Å; L60-K64 HydrophobicContact CG-CD 4.44Å; L60-K64 WeakPolarHBondContact O-CG 3.2Å; L60-K64 PolarHBondContact O-N 2.92Å; A61-K64 PolarHBondContact O-N 2.88Å; L62-K64 PolarHBondContact O-N 2.8Å; K64-M67 PolarHBondContact O-N 2.86Å; K64-H68 WeakPolarHBondContact O-CB 3.41Å; K64-H68 PolarHBondContact O-N 3.24Å; K64-D94 WeakPolarHBondContact CD-OD1 3.08Å; K64-D94 VanDerWaalsContact CE-OD1 3.29Å; K64-D94 WeakPolarHBondContact CE-OD1 3.35Å; K64-D94 IonicContact NZ-OD1 2.68Å; K64-D94 PolarHBondContact NZ-OD1 2.71Å; K64-D94 IonicContact NZ-OD2 3.32Å; K64-D94 PolarHBondContact NZ-OD2 3.11Å; K64-S95 WeakPolarHBondContact CB-OG 3.48Å; K64-S95 VanDerWaalsContact CD-O 3.26Å; K64-S95 WeakPolarHBondContact CD-O 3.45Å; K64-S95 PolarHBondContact NZ-O 2.96Å
65	M	97.6	Very high	94.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-41.8	-178.9	-62.7	-176.2	-70.6	0	0	111.5	I57 A61 L62 L63 H68 A69 M81 S95 Y137 V168 I170 L183	I57-M65 HydrophobicContact CD1-CE 4.4Å; I57-M65 HydrophobicContact CG2-CE 3.73Å; A61-M65 HydrophobicContact CB-CE 4.4Å; A61-M65 WeakPolarHBondContact O-CB 3.33Å; A61-M65 VanDerWaalsContact O-CG 3.22Å; A61-M65 WeakPolarHBondContact O-CG 3.2Å; A61-M65 PolarHBondContact O-N 3.41Å; L62-M65 PolarHBondContact O-N 3.34Å; L63-M65 PolarHBondContact O-N 3.23Å; M65-H68 PolarHBondContact O-N 3.43Å; M65-A69 VanDerWaalsContact O-CB 3.29Å; M65-A69 WeakPolarHBondContact O-CB 3.47Å; M65-A69 PolarHBondContact O-N 3.33Å; M65-M81 HydrophobicContact CE-SD 4.38Å; M65-M81 HydrophobicContact SD-CG 3.99Å; M65-M81 HydrophobicContact SD-SD 3.61Å; M65-M81 VanDerWaalsContact SD-SD 3.61Å; M65-S95 VanDerWaalsContact CG-OG 3.24Å; M65-S95 WeakPolarHBondContact CG-OG 3.4Å; M65-Y137 HydrophobicContact CB-CD2 4Å; M65-Y137 HydrophobicContact CB-CE2 3.94Å; M65-Y137 HydrophobicContact CB-CG 4.36Å; M65-Y137 HydrophobicContact CG-CD1 3.73Å; M65-Y137 HydrophobicContact CG-CD2 3.94Å; M65-Y137 HydrophobicContact CG-CE1 3.74Å; M65-Y137 HydrophobicContact CG-CE2 3.95Å; M65-Y137 HydrophobicContact CG-CG 3.83Å; M65-Y137 HydrophobicContact SD-CD1 3.66Å; M65-Y137 HydrophobicContact SD-CD2 4.2Å; M65-Y137 HydrophobicContact SD-CE1 4.28Å; M65-Y137 HydrophobicContact SD-CG 3.61Å; M65-V168 HydrophobicContact SD-CG1 4.35Å; M65-I170 HydrophobicContact CB-CD1 3.25Å; M65-I170 HydrophobicContact CE-CD1 4.43Å; M65-I170 HydrophobicContact CG-CD1 4.21Å; M65-I170 HydrophobicContact SD-CD1 4.12Å; M65-L183 HydrophobicContact CE-CD1 4.2Å
66	V	96.2	Very high	94.4	Very high	26 Å²	26	47.6 Å²	47.6	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-42.1	177.5	172.1	0	0	0	0	111.4	L62 L63 H68 A69 R70 I170 T175 V181	L62-V66 HydrophobicContact CD1-CG2 4.27Å; L62-V66 WeakPolarHBondContact O-CB 3.41Å; L62-V66 VanDerWaalsContact O-CG2 3.25Å; L62-V66 WeakPolarHBondContact O-CG2 3.19Å; L62-V66 PolarHBondContact O-N 2.98Å; L63-V66 PolarHBondContact O-N 3.17Å; V66-H68 VanDerWaalsContact C-N 3.33Å; V66-H68 PolarHBondContact O-N 3.32Å; V66-A69 PolarHBondContact O-N 3.23Å; V66-R70 WeakPolarHBondContact O-CB 3.43Å; V66-R70 PolarHBondContact O-N 3.49Å; V66-I170 HydrophobicContact CG2-CG2 4.3Å; V66-T175 HydrophobicContact CG1-CG2 4.24Å; V66-V181 HydrophobicContact CG2-CB 4.47Å; V66-V181 HydrophobicContact CG2-CG1 3.6Å; V66-V181 HydrophobicContact CG2-CG2 3.99Å
67	M	94.7	Very high	94.1	Very high	122 Å²	122	44.7 Å²	44.7	60%	0.601	24%	0.244	S	C	*	.	H	α-helix	trans	-61.9	-42.6	175.2	-74.3	178	67.9	0	0	111.5	L63 K64 R70 S71	L63-M67 HydrophobicContact CD1-CG 4.15Å; L63-M67 HydrophobicContact CD1-SD 3.96Å; L63-M67 HydrophobicContact CD2-SD 4.41Å; L63-M67 HydrophobicContact CG-CG 4.38Å; L63-M67 HydrophobicContact CG-SD 3.8Å; L63-M67 VanDerWaalsContact O-CB 3.31Å; L63-M67 WeakPolarHBondContact O-CB 3.31Å; L63-M67 WeakPolarHBondContact O-CG 3.39Å; L63-M67 PolarHBondContact O-N 3.26Å; K64-M67 PolarHBondContact O-N 2.86Å; M67-R70 PolarHBondContact O-N 2.74Å; M67-S71 PolarHBondContact O-N 3.16Å
68	H	95.2	Very high	93.8	Very high	32 Å²	32	45.1 Å²	45.1	15%	0.148	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-50.2	176.6	-177.5	-145.8	0	0	0	111.7	K64 M65 V66 R70 S71 G72 M78 A97 Y137	K64-H68 WeakPolarHBondContact O-CB 3.41Å; K64-H68 PolarHBondContact O-N 3.24Å; M65-H68 PolarHBondContact O-N 3.43Å; V66-H68 VanDerWaalsContact C-N 3.33Å; V66-H68 PolarHBondContact O-N 3.32Å; H68-R70 PolarHBondContact O-N 2.91Å; H68-S71 PolarHBondContact O-N 3.43Å; H68-S71 PolarHBondContact O-OG 2.92Å; H68-G72 PolarHBondContact O-N 2.78Å; H68-M78 PolarHBondContact CE1-O 3.24Å; H68-M78 VanDerWaalsContact CE1-O 3.28Å; H68-A97 WeakPolarHBondContact CE1-CB 3.33Å; H68-Y137 AromaticContact ND1-CE2 3.6Å; H68-Y137 AromaticContact ND1-CZ 3.6Å; H68-Y137 PolarHBondContact ND1-OH 3.09Å
69	A	94.7	Very high	93.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-54.5	-40.4	175.6	0	0	0	0	0	111.8	M65 V66 G72 I170 P172	M65-A69 VanDerWaalsContact O-CB 3.29Å; M65-A69 WeakPolarHBondContact O-CB 3.47Å; M65-A69 PolarHBondContact O-N 3.33Å; V66-A69 PolarHBondContact O-N 3.23Å; A69-G72 PolarHBondContact O-N 3.3Å; A69-I170 HydrophobicContact CB-CB 4.37Å; A69-I170 HydrophobicContact CB-CG2 3.98Å; A69-P172 HydrophobicContact CB-CB 4.02Å; A69-P172 HydrophobicContact CB-CG 4.11Å
70	R	92.5	Very high	93.5	Very high	115 Å²	115	44.6 Å²	44.6	43%	0.434	24%	0.241	S	C	.	.	H	α-helix	trans	-68.4	-38	175.5	-179.1	52	174.2	179.7	-0.7	112.8	V66 M67 H68 G72 G73 P172 I176	V66-R70 WeakPolarHBondContact O-CB 3.43Å; V66-R70 PolarHBondContact O-N 3.49Å; M67-R70 PolarHBondContact O-N 2.74Å; H68-R70 PolarHBondContact O-N 2.91Å; R70-G72 PolarHBondContact O-N 3.15Å; R70-G73 PolarHBondContact O-N 2.77Å; R70-G73 VanDerWaalsContact O-N 3.14Å; R70-P172 HydrophobicContact CB-CB 4.48Å; R70-I176 VanDerWaalsContact CD-CD1 3.5Å; R70-I176 HydrophobicContact CG-CD1 4.37Å
71	S	92.7	Very high	93.6	Very high	92 Å²	92	41.9 Å²	41.9	64%	0.643	23%	0.227	S	C	*	.	H	α-helix	trans	-65	-24.8	178.9	69.2	0	0	0	0	113.5	M67 H68 G73	M67-S71 PolarHBondContact O-N 3.16Å; H68-S71 PolarHBondContact O-N 3.43Å; H68-S71 PolarHBondContact O-OG 2.92Å; S71-G73 PolarHBondContact O-N 3.49Å
72	G	90.6	Very high	93.5	Very high	16 Å²	16	42 Å²	42	17%	0.165	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14	173.5	0	0	0	0	0	114.8	H68 A69 R70 N74 L75	H68-G72 PolarHBondContact O-N 2.78Å; A69-G72 PolarHBondContact O-N 3.3Å; R70-G72 PolarHBondContact O-N 3.15Å; G72-N74 PolarHBondContact O-N 3.14Å; G72-N74 VanDerWaalsContact O-N 3.13Å; G72-L75 WeakPolarHBondContact O-CB 3.26Å; G72-L75 PolarHBondContact O-N 2.98Å
73	G	89.2	Confident	93.4	Very high	30 Å²	30	41 Å²	41	31%	0.309	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-114.6	-175.1	0	0	0	0	0	111.2	R70 S71	R70-G73 PolarHBondContact O-N 2.77Å; R70-G73 VanDerWaalsContact O-N 3.14Å; S71-G73 PolarHBondContact O-N 3.49Å
74	N	88.3	Confident	93.5	Very high	132 Å²	132	38 Å²	38	71%	0.706	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-1.4	177	-64.4	-21.9	0	0	0	113.1	G72	G72-N74 PolarHBondContact O-N 3.14Å; G72-N74 VanDerWaalsContact O-N 3.13Å
75	L	89.8	Confident	93.4	Very high	92 Å²	92	34.8 Å²	34.8	48%	0.482	19%	0.193	S	C	.	.	S	Bend	trans	-85.7	146.6	176.4	-59.4	176.9	0	0	0	110.6	G72 V77	G72-L75 WeakPolarHBondContact O-CB 3.26Å; G72-L75 PolarHBondContact O-N 2.98Å; L75-V77 PolarHBondContact O-N 2.94Å
76	E	90.2	Very high	93.2	Very high	14 Å²	14	39 Å²	39	7%	0.065	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121	171.4	-58.3	-173.9	165.6	0	0	109.1	G102 S139 H140	E76-G102 VanDerWaalsContact O-CA 3.25Å; E76-G102 WeakPolarHBondContact O-CA 3.33Å; E76-G102 PolarHBondContact O-N 3.08Å; E76-G102 VanDerWaalsContact O-N 3.15Å; E76-S139 WeakPolarHBondContact CA-OG 3.26Å; E76-S139 WeakPolarHBondContact CB-O 3.4Å; E76-S139 VanDerWaalsContact CG-O 3.31Å; E76-S139 WeakPolarHBondContact CG-O 3.34Å; E76-H140 IonicContact OE1-CD2 2.67Å
77	V	91.8	Very high	93.1	Very high	14 Å²	14	39.2 Å²	39.2	9%	0.085	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	158.2	173.3	-59.3	0	0	0	0	109.5	L75 H138 S139	L75-V77 PolarHBondContact O-N 2.94Å; V77-H138 CarbonylContact O-C 3.55Å; V77-H138 WeakPolarHBondContact O-CA 3.03Å; V77-H138 WeakPolarHBondContact O-CB 3.43Å; V77-S139 PolarHBondContact N-OG 2.83Å; V77-S139 PolarHBondContact O-N 3.24Å
78	M	92.1	Very high	93.2	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.039	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	159	177.1	80.2	-170.7	80.5	0	0	112.3	H68 L98 V100 V107 Y137 H138	H68-M78 PolarHBondContact CE1-O 3.24Å; H68-M78 VanDerWaalsContact CE1-O 3.28Å; M78-L98 HydrophobicContact CG-CB 4.28Å; M78-L98 HydrophobicContact CG-CD1 4.23Å; M78-L98 PolarHBondContact O-N 3.47Å; M78-L98 VanDerWaalsContact O-N 3.11Å; M78-L98 HydrophobicContact SD-CD1 4.37Å; M78-V100 HydrophobicContact CE-CB 3.94Å; M78-V100 HydrophobicContact CE-CG2 3.42Å; M78-V100 VanDerWaalsContact CE-CG2 3.42Å; M78-V100 HydrophobicContact CG-CG2 3.36Å; M78-V100 HydrophobicContact SD-CB 4.4Å; M78-V100 HydrophobicContact SD-CG2 3.43Å; M78-V100 WeakPolarHBondContact SD-CG2 3.45Å; M78-V107 HydrophobicContact CE-CB 3.63Å; M78-V107 HydrophobicContact CE-CG1 3.1Å; M78-V107 HydrophobicContact CE-CG2 3.64Å; M78-V107 HydrophobicContact SD-CB 4.33Å; M78-V107 HydrophobicContact SD-CG1 3.16Å; M78-V107 WeakPolarHBondContact SD-CG1 3.37Å; M78-Y137 CarbonylContact C-O 3.59Å; M78-Y137 WeakPolarHBondContact CA-O 3.29Å; M78-Y137 WeakPolarHBondContact CB-O 3.32Å; M78-H138 HydrophobicContact CB-CB 4.04Å
79	G	93.5	Very high	93.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	-175.9	170.7	0	0	0	0	0	112.5	F96 W136 Y137	G79-F96 CarbonylContact C-O 3.5Å; G79-F96 WeakPolarHBondContact CA-O 3.3Å; G79-W136 CarbonylContact O-C 3.59Å; G79-W136 VanDerWaalsContact O-CA 3.31Å; G79-W136 WeakPolarHBondContact O-CA 3.41Å; G79-Y137 VanDerWaalsContact C-CE1 3.42Å; G79-Y137 PolarHBondContact N-O 2.97Å; G79-Y137 PolarHBondContact O-N 3.49Å
80	L	93.8	Very high	93.4	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.052	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	156.4	175.6	-72.2	178.9	0	0	0	111.9	S95 F96 L98 M117 G135 W136 F165	L80-S95 CarbonylContact O-C 3.58Å; L80-S95 VanDerWaalsContact O-CA 3.24Å; L80-S95 WeakPolarHBondContact O-CA 3.45Å; L80-S95 WeakPolarHBondContact O-CB 3.38Å; L80-F96 HydrophobicContact CB-CD1 4.32Å; L80-F96 HydrophobicContact CB-CE1 3.7Å; L80-F96 HydrophobicContact CB-CE2 4.13Å; L80-F96 HydrophobicContact CB-CZ 3.63Å; L80-F96 HydrophobicContact CD1-CE2 4.31Å; L80-F96 HydrophobicContact CD1-CZ 3.79Å; L80-F96 HydrophobicContact CG-CZ 4.27Å; L80-F96 PolarHBondContact N-O 3.02Å; L80-F96 PolarHBondContact O-N 2.83Å; L80-L98 HydrophobicContact CD1-CD2 4.38Å; L80-L98 HydrophobicContact CG-CD1 4.16Å; L80-L98 HydrophobicContact CG-CD2 4.44Å; L80-L98 HydrophobicContact CG-CG 4.42Å; L80-M117 HydrophobicContact CD1-CB 4.27Å; L80-M117 HydrophobicContact CD1-CE 3.41Å; L80-M117 VanDerWaalsContact CD1-CE 3.41Å; L80-M117 HydrophobicContact CD1-CG 3.47Å; L80-M117 VanDerWaalsContact CD1-CG 3.47Å; L80-M117 HydrophobicContact CD1-SD 3.68Å; L80-G135 WeakPolarHBondContact CD2-O 3.49Å; L80-W136 HydrophobicContact CD2-CB 3.83Å; L80-F165 HydrophobicContact CD2-CZ 4.24Å
81	M	96.2	Very high	93.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.2	178.6	-60.1	179.9	-60	0	0	108.9	M65 I92 D94 A133 I134 G135 W136 Y137 V166 V168	M65-M81 HydrophobicContact CE-SD 4.38Å; M65-M81 HydrophobicContact SD-CG 3.99Å; M65-M81 HydrophobicContact SD-SD 3.61Å; M65-M81 VanDerWaalsContact SD-SD 3.61Å; M81-I92 HydrophobicContact CB-CG1 4.21Å; M81-I92 HydrophobicContact CB-CG2 3.93Å; M81-I92 HydrophobicContact CE-CD1 3.77Å; M81-I92 HydrophobicContact CE-CG1 4.35Å; M81-I92 HydrophobicContact CG-CG2 4.19Å; M81-I92 HydrophobicContact SD-CD1 3.38Å; M81-I92 WeakPolarHBondContact SD-CD1 3.34Å; M81-I92 HydrophobicContact SD-CG1 4Å; M81-I92 HydrophobicContact SD-CG2 4.17Å; M81-D94 CarbonylContact C-O 3.58Å; M81-D94 WeakPolarHBondContact CA-O 3.22Å; M81-A133 WeakPolarHBondContact O-CA 3.48Å; M81-I134 HydrophobicContact CB-CG2 4.27Å; M81-I134 PolarHBondContact O-N 2.97Å; M81-G135 PolarHBondContact N-O 3.34Å; M81-W136 WeakPolarHBondContact CE-O 3.33Å; M81-Y137 HydrophobicContact CG-CD1 3.83Å; M81-Y137 HydrophobicContact SD-CD1 4.44Å; M81-V166 HydrophobicContact CE-CG1 3.82Å; M81-V168 HydrophobicContact CE-CB 3.89Å; M81-V168 HydrophobicContact CE-CG2 3.62Å; M81-V168 HydrophobicContact SD-CB 3.85Å; M81-V168 HydrophobicContact SD-CG1 4.45Å; M81-V168 HydrophobicContact SD-CG2 3.73Å
82	L	95.2	Very high	94	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.8	173.3	-59.2	-177.7	0	0	0	108.9	M93 D94 F96 Y120 I121 A124 E131 N132 A133	L82-M93 PolarHBondContact O-N 2.97Å; L82-D94 HydrophobicContact CB-CB 4.48Å; L82-D94 PolarHBondContact N-O 2.92Å; L82-D94 PolarHBondContact O-N 3.33Å; L82-D94 VanDerWaalsContact O-N 3.13Å; L82-F96 HydrophobicContact CD1-CE1 4.43Å; L82-F96 HydrophobicContact CD2-CE1 3.97Å; L82-F96 HydrophobicContact CG-CD1 4.34Å; L82-F96 HydrophobicContact CG-CE1 4.07Å; L82-Y120 HydrophobicContact CD1-CD1 4.42Å; L82-Y120 HydrophobicContact CD1-CE1 3.94Å; L82-I121 HydrophobicContact CD2-CG1 4.22Å; L82-A124 HydrophobicContact CD1-CB 4.36Å; L82-E131 HydrophobicContact CB-CB 4.22Å; L82-N132 WeakPolarHBondContact CA-O 3.31Å; L82-A133 HydrophobicContact CD2-CB 4.49Å
83	G	96	Very high	94.2	Very high	5 Å²	5	26.1 Å²	26.1	5%	0.052	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	-159.3	-178.7	0	0	0	0	0	114.8	I91 E131 N132	G83-I91 CarbonylContact C-O 3.59Å; G83-I91 WeakPolarHBondContact CA-O 3.31Å; G83-E131 WeakPolarHBondContact O-CB 3.2Å; G83-N132 PolarHBondContact N-O 2.68Å
84	K	95.8	Very high	94.5	Very high	17 Å²	17	25 Å²	25	7%	0.074	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	170.9	-175.3	66	-175.8	179.8	-162.4	0	110.7	I28 K30 Y31 I91	I28-K84 VanDerWaalsContact O-CE 3.26Å; I28-K84 WeakPolarHBondContact O-CE 3.35Å; I28-K84 PolarHBondContact O-NZ 2.88Å; K30-K84 PolarHBondContact O-NZ 3.44Å; Y31-K84 HydrophobicContact CD2-CD 4.36Å; K84-I91 HydrophobicContact CG-CB 4.22Å; K84-I91 PolarHBondContact N-O 3.49Å; K84-I91 PolarHBondContact O-N 2.94Å
85	V	95.7	Very high	94.8	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144.8	176	-66.9	0	0	0	0	111.1	Q36 I39 F52 M90 I134 P164	Q36-V85 PolarHBondContact NE2-O 3.48Å; I39-V85 HydrophobicContact CB-CG2 4.31Å; I39-V85 HydrophobicContact CD1-CG2 4.26Å; I39-V85 HydrophobicContact CG2-CG2 3.56Å; F52-V85 HydrophobicContact CE1-CB 4.25Å; F52-V85 HydrophobicContact CE1-CG1 3.87Å; F52-V85 HydrophobicContact CZ-CG1 3.99Å; V85-M90 HydrophobicContact CG1-CG 4.41Å; V85-I134 HydrophobicContact CG1-CD1 3.79Å; V85-P164 HydrophobicContact CG1-CB 4.16Å; V85-P164 HydrophobicContact CG1-CG 3.53Å; V85-P164 HydrophobicContact CG2-CG 4.45Å
86	D	93.9	Very high	95	Very high	87 Å²	87	14.8 Å²	14.8	47%	0.465	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	102.3	173.1	-175.4	24.4	0	0	0	109.2	E88 T89 I91	D86-E88 PolarHBondContact O-N 3.18Å; D86-T89 PolarHBondContact N-O 3.33Å; D86-T89 WeakPolarHBondContact O-CB 3.32Å; D86-T89 PolarHBondContact O-N 2.68Å; D86-I91 HydrophobicContact CB-CD1 3.76Å
87	G	93.3	Very high	95.1	Very high	32 Å²	32	15.9 Å²	15.9	33%	0.33	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-126.2	-171.6	0	0	0	0	0	112.4	Y51 T89	Y51-G87 WeakPolarHBondContact CE1-O 3.44Å; Y51-G87 PolarHBondContact OH-O 3.04Å; G87-T89 PolarHBondContact O-N 3.37Å
88	E	96.3	Very high	95	Very high	65 Å²	65	15.8 Å²	15.8	30%	0.304	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	6.2	178.7	-56.7	-172.1	156	0	0	113.6	Y51 F52 K53 Y54 D86	Y51-E88 HydrophobicContact CE2-CG 4.23Å; Y51-E88 VanDerWaalsContact O-CB 3.25Å; Y51-E88 WeakPolarHBondContact O-CB 3.48Å; Y51-E88 WeakPolarHBondContact O-CG 3.48Å; F52-E88 WeakPolarHBondContact CA-O 3.45Å; K53-E88 WeakPolarHBondContact CD-OE2 3.27Å; K53-E88 PolarHBondContact N-O 2.95Å; K53-E88 IonicContact NZ-OE1 3.14Å; K53-E88 PolarHBondContact NZ-OE1 2.67Å; K53-E88 IonicContact NZ-OE2 3.77Å; K53-E88 PolarHBondContact NZ-OE2 3.33Å; Y54-E88 HydrophobicContact CD2-CB 4.22Å; Y54-E88 HydrophobicContact CE2-CB 4.42Å; Y54-E88 PolarHBondContact N-O 2.95Å; D86-E88 PolarHBondContact O-N 3.18Å
89	T	97.5	Very high	94.2	Very high	17 Å²	17	19.5 Å²	19.5	10%	0.104	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.8	-175.1	-51.6	0	0	0	0	112.2	Y54 K56 D86 G87 I91	Y54-T89 WeakPolarHBondContact O-CA 3.46Å; K56-T89 HydrophobicContact CB-CG2 4.1Å; K56-T89 HydrophobicContact CD-CG2 3.86Å; K56-T89 HydrophobicContact CG-CG2 3.75Å; D86-T89 PolarHBondContact N-O 3.33Å; D86-T89 WeakPolarHBondContact O-CB 3.32Å; D86-T89 PolarHBondContact O-N 2.68Å; G87-T89 PolarHBondContact O-N 3.37Å; T89-I91 HydrophobicContact CG2-CG1 3.93Å
90	M	98	Very high	93.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.3	167	-59.1	-169.5	67.4	0	0	109.3	F52 Y54 C55 K56 V85 I134 P164 V166 L224	F52-M90 HydrophobicContact CB-CG 4.28Å; F52-M90 HydrophobicContact CB-SD 4.31Å; F52-M90 HydrophobicContact CD1-CG 3.51Å; F52-M90 HydrophobicContact CD1-SD 4.21Å; F52-M90 HydrophobicContact CD2-SD 4.15Å; F52-M90 HydrophobicContact CE1-CG 3.88Å; F52-M90 HydrophobicContact CG-CG 3.86Å; F52-M90 HydrophobicContact CG-SD 3.97Å; Y54-M90 PolarHBondContact O-N 3.46Å; C55-M90 CarbonylContact C-O 3.46Å; C55-M90 WeakPolarHBondContact CA-O 3.42Å; K56-M90 PolarHBondContact N-O 3.29Å; V85-M90 HydrophobicContact CG1-CG 4.41Å; M90-I134 HydrophobicContact CE-CD1 3.85Å; M90-I134 HydrophobicContact CE-CG1 3.69Å; M90-I134 WeakPolarHBondContact CE-O 3.37Å; M90-P164 HydrophobicContact CE-CB 4.17Å; M90-V166 HydrophobicContact CE-CB 3.77Å; M90-V166 HydrophobicContact CE-CG1 3.95Å; M90-V166 HydrophobicContact SD-CB 3.79Å; M90-V166 HydrophobicContact SD-CG1 4.39Å; M90-V166 HydrophobicContact SD-CG2 4.49Å; M90-L224 HydrophobicContact CG-CD2 4.49Å; M90-L224 HydrophobicContact SD-CD2 4.34Å
91	I	97.8	Very high	91.4	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.5	-174.2	-52.8	175.5	0	0	0	109.2	I28 K56 G83 K84 D86 T89 M93 F229	I28-I91 HydrophobicContact CD1-CD1 4.21Å; I28-I91 HydrophobicContact CD1-CG2 4.1Å; I28-I91 HydrophobicContact CG1-CD1 4.1Å; I28-I91 HydrophobicContact CG1-CG2 4.17Å; K56-I91 HydrophobicContact CB-CG1 4.27Å; K56-I91 HydrophobicContact CB-CG2 4.31Å; K56-I91 CarbonylContact O-C 3.48Å; K56-I91 WeakPolarHBondContact O-CA 3.41Å; G83-I91 CarbonylContact C-O 3.59Å; G83-I91 WeakPolarHBondContact CA-O 3.31Å; K84-I91 HydrophobicContact CG-CB 4.22Å; K84-I91 PolarHBondContact N-O 3.49Å; K84-I91 PolarHBondContact O-N 2.94Å; D86-I91 HydrophobicContact CB-CD1 3.76Å; T89-I91 HydrophobicContact CG2-CG1 3.93Å; I91-M93 HydrophobicContact CG2-CG 4.46Å; I91-M93 HydrophobicContact CG2-SD 3.57Å; I91-M93 VanDerWaalsContact CG2-SD 3.57Å; I91-F229 HydrophobicContact CG2-CE1 3.78Å; I91-F229 HydrophobicContact CG2-CZ 3.72Å
92	I	98.1	Very high	89.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	114.7	174	-65.6	157.2	0	0	0	108.7	K56 I57 S58 A61 M81 I134 V166 V168	K56-I92 PolarHBondContact O-N 3.25Å; I57-I92 HydrophobicContact CD1-CD1 4.24Å; I57-I92 HydrophobicContact CG1-CB 4.44Å; I57-I92 HydrophobicContact CG1-CD1 3.92Å; I57-I92 HydrophobicContact CG2-CB 4.48Å; I57-I92 HydrophobicContact CG2-CG2 4.36Å; S58-I92 PolarHBondContact N-O 3.45Å; A61-I92 HydrophobicContact CB-CG2 3.7Å; M81-I92 HydrophobicContact CB-CG1 4.21Å; M81-I92 HydrophobicContact CB-CG2 3.93Å; M81-I92 HydrophobicContact CE-CD1 3.77Å; M81-I92 HydrophobicContact CE-CG1 4.35Å; M81-I92 HydrophobicContact CG-CG2 4.19Å; M81-I92 HydrophobicContact SD-CD1 3.38Å; M81-I92 WeakPolarHBondContact SD-CD1 3.34Å; M81-I92 HydrophobicContact SD-CG1 4Å; M81-I92 HydrophobicContact SD-CG2 4.17Å; I92-I134 HydrophobicContact CG1-CG2 4.06Å; I92-V166 HydrophobicContact CD1-CG1 4.35Å; I92-V168 HydrophobicContact CD1-CG2 3.97Å
93	M	95.7	Very high	87.6	Confident	16 Å²	16	32.9 Å²	32.9	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-38.4	-177.5	-63.6	-55.3	-59.4	0	0	112	Y29 S58 L82 I91 E131 F229	Y29-M93 HydrophobicContact CD1-CE 3.14Å; Y29-M93 HydrophobicContact CD2-CE 4.47Å; Y29-M93 HydrophobicContact CE1-CE 3.67Å; Y29-M93 HydrophobicContact CG-CE 3.61Å; S58-M93 WeakPolarHBondContact CB-O 3.42Å; S58-M93 PolarHBondContact OG-O 3.43Å; L82-M93 PolarHBondContact O-N 2.97Å; I91-M93 HydrophobicContact CG2-CG 4.46Å; I91-M93 HydrophobicContact CG2-SD 3.57Å; I91-M93 VanDerWaalsContact CG2-SD 3.57Å; M93-E131 HydrophobicContact CB-CG 4.22Å; M93-E131 HydrophobicContact CG-CG 3.89Å; M93-F229 HydrophobicContact CE-CE2 4.23Å; M93-F229 HydrophobicContact CE-CZ 4.33Å; M93-F229 HydrophobicContact SD-CE2 4.14Å; M93-F229 HydrophobicContact SD-CZ 3.69Å
94	D	95.3	Very high	85.4	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.027	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	168.3	179.4	-163.4	31.2	0	0	0	111.9	K64 M81 L82 R129	K64-D94 WeakPolarHBondContact CD-OD1 3.08Å; K64-D94 VanDerWaalsContact CE-OD1 3.29Å; K64-D94 WeakPolarHBondContact CE-OD1 3.35Å; K64-D94 IonicContact NZ-OD1 2.68Å; K64-D94 PolarHBondContact NZ-OD1 2.71Å; K64-D94 IonicContact NZ-OD2 3.32Å; K64-D94 PolarHBondContact NZ-OD2 3.11Å; M81-D94 CarbonylContact C-O 3.58Å; M81-D94 WeakPolarHBondContact CA-O 3.22Å; L82-D94 HydrophobicContact CB-CB 4.48Å; L82-D94 PolarHBondContact N-O 2.92Å; L82-D94 PolarHBondContact O-N 3.33Å; L82-D94 VanDerWaalsContact O-N 3.13Å; D94-R129 IonicContact OD1-NH1 2.6Å; D94-R129 IonicContact OD2-CZ 3.88Å; D94-R129 IonicContact OD2-NH1 3.89Å; D94-R129 PolarHBondContact OD2-NH1 2.94Å
95	S	95.5	Very high	82.9	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160	172.8	65.9	0	0	0	0	111.6	A61 K64 M65 L80	A61-S95 PolarHBondContact O-OG 3.06Å; K64-S95 WeakPolarHBondContact CB-OG 3.48Å; K64-S95 VanDerWaalsContact CD-O 3.26Å; K64-S95 WeakPolarHBondContact CD-O 3.45Å; K64-S95 PolarHBondContact NZ-O 2.96Å; M65-S95 VanDerWaalsContact CG-OG 3.24Å; M65-S95 WeakPolarHBondContact CG-OG 3.4Å; L80-S95 CarbonylContact O-C 3.58Å; L80-S95 VanDerWaalsContact O-CA 3.24Å; L80-S95 WeakPolarHBondContact O-CA 3.45Å; L80-S95 WeakPolarHBondContact O-CB 3.38Å
96	F	93.5	Very high	80.5	Confident	11 Å²	11	50 Å²	50	5%	0.048	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.5	171.8	62.9	-86	0	0	0	111.3	G79 L80 L82 L98 Y116 Y120 Y137	G79-F96 CarbonylContact C-O 3.5Å; G79-F96 WeakPolarHBondContact CA-O 3.3Å; L80-F96 HydrophobicContact CB-CD1 4.32Å; L80-F96 HydrophobicContact CB-CE1 3.7Å; L80-F96 HydrophobicContact CB-CE2 4.13Å; L80-F96 HydrophobicContact CB-CZ 3.63Å; L80-F96 HydrophobicContact CD1-CE2 4.31Å; L80-F96 HydrophobicContact CD1-CZ 3.79Å; L80-F96 HydrophobicContact CG-CZ 4.27Å; L80-F96 PolarHBondContact N-O 3.02Å; L80-F96 PolarHBondContact O-N 2.83Å; L82-F96 HydrophobicContact CD1-CE1 4.43Å; L82-F96 HydrophobicContact CD2-CE1 3.97Å; L82-F96 HydrophobicContact CG-CD1 4.34Å; L82-F96 HydrophobicContact CG-CE1 4.07Å; F96-L98 HydrophobicContact CD2-CD2 4.42Å; F96-L98 HydrophobicContact CE2-CD2 3.85Å; F96-Y116 AromaticContact CD2-CE1 3.89Å; F96-Y116 HydrophobicContact CD2-CE1 3.89Å; F96-Y116 HydrophobicContact CE2-CD1 4.33Å; F96-Y116 HydrophobicContact CE2-CE1 4.1Å; F96-Y120 HydrophobicContact CB-CD2 4.3Å; F96-Y120 HydrophobicContact CB-CE1 3.98Å; F96-Y120 HydrophobicContact CB-CE2 3.7Å; F96-Y120 AromaticContact CD1-CD1 3.47Å; F96-Y120 HydrophobicContact CD1-CD1 3.47Å; F96-Y120 VanDerWaalsContact CD1-CD1 3.47Å; F96-Y120 AromaticContact CD1-CE1 3.26Å; F96-Y120 HydrophobicContact CD1-CE1 3.26Å; F96-Y120 HydrophobicContact CD1-CE2 4.4Å; F96-Y120 HydrophobicContact CD1-CG 4.14Å; F96-Y120 AromaticContact CD1-CZ 3.78Å; F96-Y120 HydrophobicContact CD2-CD1 4.14Å; F96-Y120 HydrophobicContact CD2-CD2 4.05Å; F96-Y120 HydrophobicContact CD2-CE1 4.4Å; F96-Y120 HydrophobicContact CD2-CE2 4.31Å; F96-Y120 AromaticContact CD2-CG 3.96Å; F96-Y120 HydrophobicContact CD2-CG 3.96Å; F96-Y120 AromaticContact CE1-CD1 3.43Å; F96-Y120 HydrophobicContact CE1-CD1 3.43Å; F96-Y120 VanDerWaalsContact CE1-CD1 3.43Å; F96-Y120 AromaticContact CE1-CE1 3.7Å; F96-Y120 HydrophobicContact CE1-CE1 3.7Å; F96-Y120 HydrophobicContact CE1-CG 4.14Å; F96-Y120 HydrophobicContact CE2-CD1 4.1Å; F96-Y120 HydrophobicContact CE2-CD2 4.45Å; F96-Y120 AromaticContact CE2-CG 3.94Å; F96-Y120 HydrophobicContact CE2-CG 3.94Å; F96-Y120 AromaticContact CG-CD1 3.81Å; F96-Y120 HydrophobicContact CG-CD1 3.81Å; F96-Y120 HydrophobicContact CG-CD2 4.08Å; F96-Y120 AromaticContact CG-CE1 3.64Å; F96-Y120 HydrophobicContact CG-CE1 3.64Å; F96-Y120 AromaticContact CG-CE2 3.92Å; F96-Y120 HydrophobicContact CG-CE2 3.92Å; F96-Y120 HydrophobicContact CG-CG 4.03Å; F96-Y120 AromaticContact CG-CZ 3.7Å; F96-Y120 AromaticContact CZ-CD1 3.73Å; F96-Y120 HydrophobicContact CZ-CD1 3.73Å; F96-Y120 HydrophobicContact CZ-CE1 4.4Å; F96-Y120 HydrophobicContact CZ-CG 4.01Å; F96-Y137 PolarHBondContact O-OH 3.21Å
97	A	92.5	Very high	78.3	Confident	37 Å²	37	47 Å²	47	31%	0.306	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	139	176.3	0	0	0	0	0	110.3	H68 Y116	H68-A97 WeakPolarHBondContact CE1-CB 3.33Å; A97-Y116 WeakPolarHBondContact O-CE1 3.49Å
98	L	88.5	Confident	76.3	Confident	12 Å²	12	51.4 Å²	51.4	6%	0.063	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	145.3	166.4	-70	178.6	0	0	0	109.1	M78 L80 F96 V100 Y116 M117	M78-L98 HydrophobicContact CG-CB 4.28Å; M78-L98 HydrophobicContact CG-CD1 4.23Å; M78-L98 PolarHBondContact O-N 3.47Å; M78-L98 VanDerWaalsContact O-N 3.11Å; M78-L98 HydrophobicContact SD-CD1 4.37Å; L80-L98 HydrophobicContact CD1-CD2 4.38Å; L80-L98 HydrophobicContact CG-CD1 4.16Å; L80-L98 HydrophobicContact CG-CD2 4.44Å; L80-L98 HydrophobicContact CG-CG 4.42Å; F96-L98 HydrophobicContact CD2-CD2 4.42Å; F96-L98 HydrophobicContact CE2-CD2 3.85Å; L98-V100 HydrophobicContact CB-CG2 3.53Å; L98-V100 PolarHBondContact O-N 3.49Å; L98-Y116 HydrophobicContact CD2-CD1 4.07Å; L98-M117 HydrophobicContact CD1-SD 4.31Å; L98-M117 HydrophobicContact CD2-CG 3.49Å; L98-M117 VanDerWaalsContact CD2-CG 3.49Å; L98-M117 HydrophobicContact CD2-SD 4.19Å
99	P	76.3	Confident	74.2	Confident	85 Å²	85	49.1 Å²	49.1	55%	0.552	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	62.4	179.8	34.2	-36.9	0	0	0	110.8	Y116	P99-Y116 HydrophobicContact CG-CD1 4.32Å; P99-Y116 HydrophobicContact CG-CG 4.13Å
100	V	69.5	Low	72.1	Confident	21 Å²	21	55 Å²	55	13%	0.127	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	118.9	-175.3	-73.1	0	0	0	0	108.3	M78 L98 A113	M78-V100 HydrophobicContact CE-CB 3.94Å; M78-V100 HydrophobicContact CE-CG2 3.42Å; M78-V100 VanDerWaalsContact CE-CG2 3.42Å; M78-V100 HydrophobicContact CG-CG2 3.36Å; M78-V100 HydrophobicContact SD-CB 4.4Å; M78-V100 HydrophobicContact SD-CG2 3.43Å; M78-V100 WeakPolarHBondContact SD-CG2 3.45Å; L98-V100 HydrophobicContact CB-CG2 3.53Å; L98-V100 PolarHBondContact O-N 3.49Å; V100-A113 HydrophobicContact CG1-CB 3.99Å
101	E	59.9	Low	70.2	Confident	180 Å²	180	58.6 Å²	58.6	84%	0.841	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	111.1	169.1	-68.1	179.9	175.5	0	0	107.3
102	G	58.8	Low	68.6	Low	3 Å²	3	61.2 Å²	61.2	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	131.6	177.6	0	0	0	0	0	110.6	E76	E76-G102 VanDerWaalsContact O-CA 3.25Å; E76-G102 WeakPolarHBondContact O-CA 3.33Å; E76-G102 PolarHBondContact O-N 3.08Å; E76-G102 VanDerWaalsContact O-N 3.15Å
103	T	51.1	Low	67.2	Low	91 Å²	91	61.2 Å²	61.2	56%	0.558	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-96.4	145	150.1	51.6	0	0	0	0	107.1	T105 R106	T103-T105 PolarHBondContact O-N 2.92Å; T103-R106 PolarHBondContact O-N 3.31Å
104	E	49.8	Very low	66.1	Low	102 Å²	102	66.4 Å²	66.4	48%	0.477	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.2	-23.7	-175.8	-172.8	-174.7	166.1	0	0	115.7	K210	E104-K210 VanDerWaalsContact CG-NZ 3.33Å; E104-K210 WeakPolarHBondContact OE1-CE 3.32Å; E104-K210 IonicContact OE1-NZ 3.61Å; E104-K210 PolarHBondContact OE1-NZ 2.69Å
105	T	43.9	Very low	65.4	Low	91 Å²	91	73 Å²	73	56%	0.558	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-10.8	-176.1	59.4	0	0	0	0	114.9	T103 I150	T103-T105 PolarHBondContact O-N 2.92Å; T105-I150 WeakPolarHBondContact O-CD1 3.46Å
106	R	46.1	Very low	64.8	Low	191 Å²	191	77.6 Å²	77.6	72%	0.721	41%	0.407	S	S	*	.	B	Isolated β-bridge	trans	-151	98.2	-173.2	-64.5	-172.6	-174.8	-179.6	2.1	112.5	T103 N108	T103-R106 PolarHBondContact O-N 3.31Å; R106-N108 PolarHBondContact O-N 3Å
107	V	47.1	Very low	64.3	Low	24 Å²	24	78.2 Å²	78.2	15%	0.145	41%	0.41	C	S	.	.			trans	-94.7	72.7	159.9	168.5	0	0	0	0	107.5	M78 W136	M78-V107 HydrophobicContact CE-CB 3.63Å; M78-V107 HydrophobicContact CE-CG1 3.1Å; M78-V107 HydrophobicContact CE-CG2 3.64Å; M78-V107 HydrophobicContact SD-CB 4.33Å; M78-V107 HydrophobicContact SD-CG1 3.16Å; M78-V107 WeakPolarHBondContact SD-CG1 3.37Å; V107-W136 HydrophobicContact CG1-CZ3 4.43Å
108	N	50.8	Low	63.9	Low	124 Å²	124	79.5 Å²	79.5	66%	0.663	42%	0.421	S	S	*	.			trans	-98.1	106.5	169.7	-145.5	-1.9	0	0	0	106.7	R106 Q110	R106-N108 PolarHBondContact O-N 3Å; N108-Q110 PolarHBondContact O-N 3.13Å
109	A	52.3	Low	63.9	Low	17 Å²	17	81.2 Å²	81.2	14%	0.14	44%	0.437	C	S	.	.			trans	-56.9	96.3	164.6	0	0	0	0	0	106.6	A113 Y114	A109-A113 HydrophobicContact CB-CB 3.72Å; A109-Y114 HydrophobicContact CB-CE2 4.3Å; A109-Y114 VanDerWaalsContact O-CE2 3.24Å; A109-Y114 WeakPolarHBondContact O-CE2 3.25Å
110	Q	54.5	Low	64.5	Low	142 Å²	142	79.9 Å²	79.9	66%	0.664	42%	0.421	S	S	*	.			trans	-58.5	165.6	177	-65.7	-178.5	-10.3	0	0	109	N108 A112 A113 Y114	N108-Q110 PolarHBondContact O-N 3.13Å; Q110-A112 PolarHBondContact O-N 3.49Å; Q110-A113 WeakPolarHBondContact O-CA 3.42Å; Q110-A113 WeakPolarHBondContact O-CB 3.44Å; Q110-A113 PolarHBondContact O-N 3.17Å; Q110-Y114 PolarHBondContact O-N 3.33Å
111	A	58.2	Low	65.4	Low	74 Å²	74	80.4 Å²	80.4	61%	0.612	42%	0.423	S	S	*	.	H	α-helix	trans	-47.8	-37.8	179.9	0	0	0	0	0	113.5	A113 Y114 E115	A111-A113 VanDerWaalsContact C-N 3.3Å; A111-A113 PolarHBondContact O-N 2.84Å; A111-Y114 PolarHBondContact O-N 3.01Å; A111-E115 PolarHBondContact O-N 3.33Å; A111-E115 VanDerWaalsContact O-N 3.13Å
112	A	63.2	Low	66.8	Low	59 Å²	59	76.4 Å²	76.4	49%	0.488	40%	0.404	S	S	.	.	H	α-helix	trans	-59.9	-34.2	175.5	0	0	0	0	0	113.9	Q110 Y116	Q110-A112 PolarHBondContact O-N 3.49Å; A112-Y116 VanDerWaalsContact O-CB 3.31Å; A112-Y116 WeakPolarHBondContact O-CB 3.5Å; A112-Y116 PolarHBondContact O-N 3Å
113	A	69.4	Low	68.4	Low	1 Å²	1	80.5 Å²	80.5	1%	0.008	43%	0.425	C	S	.	.	H	α-helix	trans	-68.5	-41.3	176.1	0	0	0	0	0	111.1	V100 A109 Q110 A111 Y116 M117	V100-A113 HydrophobicContact CG1-CB 3.99Å; A109-A113 HydrophobicContact CB-CB 3.72Å; Q110-A113 WeakPolarHBondContact O-CA 3.42Å; Q110-A113 WeakPolarHBondContact O-CB 3.44Å; Q110-A113 PolarHBondContact O-N 3.17Å; A111-A113 VanDerWaalsContact C-N 3.3Å; A111-A113 PolarHBondContact O-N 2.84Å; A113-Y116 PolarHBondContact O-N 3.36Å; A113-M117 WeakPolarHBondContact O-CB 3.22Å; A113-M117 WeakPolarHBondContact O-CG 3.29Å; A113-M117 PolarHBondContact O-N 2.79Å
114	Y	72.3	Confident	70.2	Confident	124 Å²	124	76.5 Å²	76.5	49%	0.486	40%	0.402	S	S	.	.	H	α-helix	trans	-64.6	-41	176.2	-71.6	-68.1	0	0	0	112.9	A109 Q110 A111 M117 A118	A109-Y114 HydrophobicContact CB-CE2 4.3Å; A109-Y114 VanDerWaalsContact O-CE2 3.24Å; A109-Y114 WeakPolarHBondContact O-CE2 3.25Å; Q110-Y114 PolarHBondContact O-N 3.33Å; A111-Y114 PolarHBondContact O-N 3.01Å; Y114-M117 HydrophobicContact CD1-CE 4.16Å; Y114-M117 HydrophobicContact CD1-SD 4.06Å; Y114-M117 HydrophobicContact CE1-CE 4.46Å; Y114-M117 WeakPolarHBondContact O-CB 3.35Å; Y114-M117 PolarHBondContact O-N 3.35Å; Y114-A118 PolarHBondContact O-N 3.5Å
115	E	79.7	Confident	72.1	Confident	144 Å²	144	75.6 Å²	75.6	67%	0.673	40%	0.396	S	S	*	.	H	α-helix	trans	-61.8	-45.4	174.1	-70.9	179.3	-178.5	0	0	111.2	A111 M117 A118 A119	A111-E115 PolarHBondContact O-N 3.33Å; A111-E115 VanDerWaalsContact O-N 3.13Å; E115-M117 VanDerWaalsContact C-N 3.34Å; E115-M117 PolarHBondContact O-N 2.72Å; E115-A118 PolarHBondContact O-N 3.48Å; E115-A119 WeakPolarHBondContact O-CB 3.24Å; E115-A119 PolarHBondContact O-N 2.91Å
116	Y	84.1	Confident	74.3	Confident	96 Å²	96	78.2 Å²	78.2	38%	0.376	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-41.7	175.8	-176.5	-96.9	0	0	0	112.1	F96 A97 L98 P99 A112 A113 A119 Y120	F96-Y116 AromaticContact CD2-CE1 3.89Å; F96-Y116 HydrophobicContact CD2-CE1 3.89Å; F96-Y116 HydrophobicContact CE2-CD1 4.33Å; F96-Y116 HydrophobicContact CE2-CE1 4.1Å; A97-Y116 WeakPolarHBondContact O-CE1 3.49Å; L98-Y116 HydrophobicContact CD2-CD1 4.07Å; P99-Y116 HydrophobicContact CG-CD1 4.32Å; P99-Y116 HydrophobicContact CG-CG 4.13Å; A112-Y116 VanDerWaalsContact O-CB 3.31Å; A112-Y116 WeakPolarHBondContact O-CB 3.5Å; A112-Y116 PolarHBondContact O-N 3Å; A113-Y116 PolarHBondContact O-N 3.36Å; Y116-A119 PolarHBondContact O-N 3.47Å; Y116-Y120 HydrophobicContact CE1-CD2 4.49Å; Y116-Y120 VanDerWaalsContact O-CB 3.27Å; Y116-Y120 WeakPolarHBondContact O-CB 3.49Å; Y116-Y120 PolarHBondContact O-N 3.05Å
117	M	83.3	Confident	76.4	Confident	24 Å²	24	74.4 Å²	74.4	12%	0.118	40%	0.399	C	S	.	.	H	α-helix	trans	-59.7	-49.2	176	-71.8	167.2	50.8	0	0	112	L80 L98 A113 Y114 E115 Y120 I121	L80-M117 HydrophobicContact CD1-CB 4.27Å; L80-M117 HydrophobicContact CD1-CE 3.41Å; L80-M117 VanDerWaalsContact CD1-CE 3.41Å; L80-M117 HydrophobicContact CD1-CG 3.47Å; L80-M117 VanDerWaalsContact CD1-CG 3.47Å; L80-M117 HydrophobicContact CD1-SD 3.68Å; L98-M117 HydrophobicContact CD1-SD 4.31Å; L98-M117 HydrophobicContact CD2-CG 3.49Å; L98-M117 VanDerWaalsContact CD2-CG 3.49Å; L98-M117 HydrophobicContact CD2-SD 4.19Å; A113-M117 WeakPolarHBondContact O-CB 3.22Å; A113-M117 WeakPolarHBondContact O-CG 3.29Å; A113-M117 PolarHBondContact O-N 2.79Å; Y114-M117 HydrophobicContact CD1-CE 4.16Å; Y114-M117 HydrophobicContact CD1-SD 4.06Å; Y114-M117 HydrophobicContact CE1-CE 4.46Å; Y114-M117 WeakPolarHBondContact O-CB 3.35Å; Y114-M117 PolarHBondContact O-N 3.35Å; E115-M117 VanDerWaalsContact C-N 3.34Å; E115-M117 PolarHBondContact O-N 2.72Å; M117-Y120 PolarHBondContact O-N 3.11Å; M117-I121 WeakPolarHBondContact O-CG1 3.26Å; M117-I121 PolarHBondContact O-N 2.89Å
118	A	84	Confident	78.3	Confident	65 Å²	65	75.8 Å²	75.8	54%	0.537	42%	0.419	S	S	.	.	H	α-helix	trans	-62.9	-45.9	179.9	0	0	0	0	0	111.3	Y114 E115 I121 E122	Y114-A118 PolarHBondContact O-N 3.5Å; E115-A118 PolarHBondContact O-N 3.48Å; A118-I121 PolarHBondContact O-N 2.7Å; A118-E122 WeakPolarHBondContact O-CB 3.39Å; A118-E122 PolarHBondContact O-N 2.79Å
119	A	87.9	Confident	80.1	Confident	48 Å²	48	74.4 Å²	74.4	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-42.2	177.3	0	0	0	0	0	112.2	E115 Y116 E122 N123	E115-A119 WeakPolarHBondContact O-CB 3.24Å; E115-A119 PolarHBondContact O-N 2.91Å; Y116-A119 PolarHBondContact O-N 3.47Å; A119-E122 PolarHBondContact O-N 3.46Å; A119-N123 WeakPolarHBondContact O-CB 3.12Å; A119-N123 PolarHBondContact O-N 3.26Å; A119-N123 PolarHBondContact O-ND2 2.98Å
120	Y	89.4	Confident	81.9	Confident	57 Å²	57	77.4 Å²	77.4	22%	0.224	42%	0.418	C	S	.	.	H	α-helix	trans	-63.8	-47.3	179.1	-170	-81	0	0	0	111.7	L82 F96 Y116 M117 E122 N123 A124	L82-Y120 HydrophobicContact CD1-CD1 4.42Å; L82-Y120 HydrophobicContact CD1-CE1 3.94Å; F96-Y120 HydrophobicContact CB-CD2 4.3Å; F96-Y120 HydrophobicContact CB-CE1 3.98Å; F96-Y120 HydrophobicContact CB-CE2 3.7Å; F96-Y120 AromaticContact CD1-CD1 3.47Å; F96-Y120 HydrophobicContact CD1-CD1 3.47Å; F96-Y120 VanDerWaalsContact CD1-CD1 3.47Å; F96-Y120 AromaticContact CD1-CE1 3.26Å; F96-Y120 HydrophobicContact CD1-CE1 3.26Å; F96-Y120 HydrophobicContact CD1-CE2 4.4Å; F96-Y120 HydrophobicContact CD1-CG 4.14Å; F96-Y120 AromaticContact CD1-CZ 3.78Å; F96-Y120 HydrophobicContact CD2-CD1 4.14Å; F96-Y120 HydrophobicContact CD2-CD2 4.05Å; F96-Y120 HydrophobicContact CD2-CE1 4.4Å; F96-Y120 HydrophobicContact CD2-CE2 4.31Å; F96-Y120 AromaticContact CD2-CG 3.96Å; F96-Y120 HydrophobicContact CD2-CG 3.96Å; F96-Y120 AromaticContact CE1-CD1 3.43Å; F96-Y120 HydrophobicContact CE1-CD1 3.43Å; F96-Y120 VanDerWaalsContact CE1-CD1 3.43Å; F96-Y120 AromaticContact CE1-CE1 3.7Å; F96-Y120 HydrophobicContact CE1-CE1 3.7Å; F96-Y120 HydrophobicContact CE1-CG 4.14Å; F96-Y120 HydrophobicContact CE2-CD1 4.1Å; F96-Y120 HydrophobicContact CE2-CD2 4.45Å; F96-Y120 AromaticContact CE2-CG 3.94Å; F96-Y120 HydrophobicContact CE2-CG 3.94Å; F96-Y120 AromaticContact CG-CD1 3.81Å; F96-Y120 HydrophobicContact CG-CD1 3.81Å; F96-Y120 HydrophobicContact CG-CD2 4.08Å; F96-Y120 AromaticContact CG-CE1 3.64Å; F96-Y120 HydrophobicContact CG-CE1 3.64Å; F96-Y120 AromaticContact CG-CE2 3.92Å; F96-Y120 HydrophobicContact CG-CE2 3.92Å; F96-Y120 HydrophobicContact CG-CG 4.03Å; F96-Y120 AromaticContact CG-CZ 3.7Å; F96-Y120 AromaticContact CZ-CD1 3.73Å; F96-Y120 HydrophobicContact CZ-CD1 3.73Å; F96-Y120 HydrophobicContact CZ-CE1 4.4Å; F96-Y120 HydrophobicContact CZ-CG 4.01Å; Y116-Y120 HydrophobicContact CE1-CD2 4.49Å; Y116-Y120 VanDerWaalsContact O-CB 3.27Å; Y116-Y120 WeakPolarHBondContact O-CB 3.49Å; Y116-Y120 PolarHBondContact O-N 3.05Å; M117-Y120 PolarHBondContact O-N 3.11Å; Y120-E122 VanDerWaalsContact C-N 3.29Å; Y120-E122 PolarHBondContact O-N 2.8Å; Y120-N123 PolarHBondContact O-N 3.24Å; Y120-A124 VanDerWaalsContact O-CB 3.3Å; Y120-A124 WeakPolarHBondContact O-CB 3.29Å; Y120-A124 PolarHBondContact O-N 2.98Å
121	I	87.4	Confident	83.7	Confident	31 Å²	31	71.8 Å²	71.8	16%	0.159	39%	0.391	C	S	.	.	H	α-helix	trans	-62.4	-39.5	179.1	-68.8	168.6	0	0	0	110.6	L82 M117 A118 A124 K125 A133	L82-I121 HydrophobicContact CD2-CG1 4.22Å; M117-I121 WeakPolarHBondContact O-CG1 3.26Å; M117-I121 PolarHBondContact O-N 2.89Å; A118-I121 PolarHBondContact O-N 2.7Å; I121-A124 PolarHBondContact O-N 2.98Å; I121-K125 WeakPolarHBondContact O-CG 3.24Å; I121-K125 PolarHBondContact O-N 3.11Å; I121-A133 HydrophobicContact CD1-CB 4.33Å
122	E	89.3	Confident	85.2	Confident	96 Å²	96	71.8 Å²	71.8	45%	0.449	38%	0.381	S	S	.	.	H	α-helix	trans	-69.2	-42.2	178.6	-165	56.8	-155.9	0	0	112.3	A118 A119 Y120 A124 K125 Q126	A118-E122 WeakPolarHBondContact O-CB 3.39Å; A118-E122 PolarHBondContact O-N 2.79Å; A119-E122 PolarHBondContact O-N 3.46Å; Y120-E122 VanDerWaalsContact C-N 3.29Å; Y120-E122 PolarHBondContact O-N 2.8Å; E122-A124 VanDerWaalsContact C-N 3.32Å; E122-A124 PolarHBondContact O-N 2.8Å; E122-K125 PolarHBondContact O-N 3.48Å; E122-K125 IonicContact OE2-NZ 3.81Å; E122-K125 PolarHBondContact OE2-NZ 3.49Å; E122-Q126 PolarHBondContact O-N 2.91Å
123	N	91.9	Very high	86.6	Confident	90 Å²	90	70.1 Å²	70.1	48%	0.481	37%	0.367	S	S	.	.	H	α-helix	trans	-65	-35.7	174.3	-70.2	-23.6	0	0	0	112.3	A119 Y120 K125 Q126 V127	A119-N123 WeakPolarHBondContact O-CB 3.12Å; A119-N123 PolarHBondContact O-N 3.26Å; A119-N123 PolarHBondContact O-ND2 2.98Å; Y120-N123 PolarHBondContact O-N 3.24Å; N123-K125 VanDerWaalsContact C-N 3.31Å; N123-K125 PolarHBondContact O-N 3.39Å; N123-Q126 WeakPolarHBondContact O-CB 3.42Å; N123-Q126 PolarHBondContact O-N 2.95Å; N123-V127 PolarHBondContact O-N 3.44Å
124	A	90.2	Very high	87.8	Confident	7 Å²	7	70.5 Å²	70.5	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-60.5	-40.9	176.4	0	0	0	0	0	111.5	L82 Y120 I121 E122 Q126 V127 G128 R129	L82-A124 HydrophobicContact CD1-CB 4.36Å; Y120-A124 VanDerWaalsContact O-CB 3.3Å; Y120-A124 WeakPolarHBondContact O-CB 3.29Å; Y120-A124 PolarHBondContact O-N 2.98Å; I121-A124 PolarHBondContact O-N 2.98Å; E122-A124 VanDerWaalsContact C-N 3.32Å; E122-A124 PolarHBondContact O-N 2.8Å; A124-Q126 VanDerWaalsContact C-N 3.31Å; A124-Q126 PolarHBondContact O-N 2.96Å; A124-V127 WeakPolarHBondContact O-CG2 3.48Å; A124-V127 PolarHBondContact O-N 3.4Å; A124-G128 PolarHBondContact O-N 2.91Å; A124-R129 CarbonylContact C-O 3.53Å; A124-R129 HydrophobicContact CB-CB 4.1Å; A124-R129 WeakPolarHBondContact O-CB 3.39Å; A124-R129 PolarHBondContact O-N 3.14Å
125	K	89.6	Confident	89	Confident	82 Å²	82	64.6 Å²	64.6	36%	0.357	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-36.4	176.1	-66.8	170.5	-164.9	159.6	0	112.6	I121 E122 N123 V127 G128 R129	I121-K125 WeakPolarHBondContact O-CG 3.24Å; I121-K125 PolarHBondContact O-N 3.11Å; E122-K125 PolarHBondContact O-N 3.48Å; E122-K125 IonicContact OE2-NZ 3.81Å; E122-K125 PolarHBondContact OE2-NZ 3.49Å; N123-K125 VanDerWaalsContact C-N 3.31Å; N123-K125 PolarHBondContact O-N 3.39Å; K125-V127 PolarHBondContact O-N 3.29Å; K125-G128 PolarHBondContact O-N 2.9Å; K125-R129 WeakPolarHBondContact CA-O 3.16Å; K125-R129 PolarHBondContact N-O 3.47Å
126	Q	90.2	Very high	89.7	Confident	147 Å²	147	58.2 Å²	58.2	69%	0.687	32%	0.316	S	S	*	.	H	α-helix	trans	-63	-27.6	178.4	-64.9	-179.1	5	0	0	112.7	E122 N123 A124	E122-Q126 PolarHBondContact O-N 2.91Å; N123-Q126 WeakPolarHBondContact O-CB 3.42Å; N123-Q126 PolarHBondContact O-N 2.95Å; A124-Q126 VanDerWaalsContact C-N 3.31Å; A124-Q126 PolarHBondContact O-N 2.96Å
127	V	89.4	Confident	90.3	Very high	110 Å²	110	53.7 Å²	53.7	67%	0.667	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	16.1	175.6	-59.3	0	0	0	0	113.1	N123 A124 K125 R129	N123-V127 PolarHBondContact O-N 3.44Å; A124-V127 WeakPolarHBondContact O-CG2 3.48Å; A124-V127 PolarHBondContact O-N 3.4Å; K125-V127 PolarHBondContact O-N 3.29Å; V127-R129 HydrophobicContact CG2-CG 4.25Å
128	G	86.5	Confident	90.9	Very high	54 Å²	54	52.7 Å²	52.7	56%	0.557	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	13.2	175.6	0	0	0	0	0	115.3	A124 K125 L130	A124-G128 PolarHBondContact O-N 2.91Å; K125-G128 PolarHBondContact O-N 2.9Å; G128-L130 PolarHBondContact O-N 3.02Å
129	R	89.2	Confident	91.4	Very high	95 Å²	95	49.6 Å²	49.6	36%	0.358	27%	0.267	S	S	.	.			trans	-89.9	100.6	171.2	-63.2	-179.4	178.4	-144.9	-5	108.8	D94 A124 K125 V127	D94-R129 IonicContact OD1-NH1 2.6Å; D94-R129 IonicContact OD2-CZ 3.88Å; D94-R129 IonicContact OD2-NH1 3.89Å; D94-R129 PolarHBondContact OD2-NH1 2.94Å; A124-R129 CarbonylContact C-O 3.53Å; A124-R129 HydrophobicContact CB-CB 4.1Å; A124-R129 WeakPolarHBondContact O-CB 3.39Å; A124-R129 PolarHBondContact O-N 3.14Å; K125-R129 WeakPolarHBondContact CA-O 3.16Å; K125-R129 PolarHBondContact N-O 3.47Å; V127-R129 HydrophobicContact CG2-CG 4.25Å
130	L	90.1	Very high	91.7	Very high	80 Å²	80	47.4 Å²	47.4	42%	0.419	25%	0.249	S	C	.	.			trans	-94.9	-6.5	-170.3	-58.2	-179.2	0	0	0	112.8	Y31 G128	Y31-L130 HydrophobicContact CD1-CB 3.51Å; Y31-L130 HydrophobicContact CD1-CD1 3.97Å; Y31-L130 HydrophobicContact CD1-CG 4.39Å; Y31-L130 HydrophobicContact CD2-CB 4.49Å; Y31-L130 HydrophobicContact CE1-CB 3.76Å; Y31-L130 HydrophobicContact CG-CB 3.91Å; G128-L130 PolarHBondContact O-N 3.02Å
131	E	92.1	Very high	91.9	Very high	23 Å²	23	45.1 Å²	45.1	11%	0.107	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-63.2	137	174.8	-67.4	81.1	-176.8	0	0	111.8	Y31 L82 G83 M93	Y31-E131 HydrophobicContact CD2-CG 3.98Å; Y31-E131 HydrophobicContact CE2-CG 4.36Å; L82-E131 HydrophobicContact CB-CB 4.22Å; G83-E131 WeakPolarHBondContact O-CB 3.2Å; M93-E131 HydrophobicContact CB-CG 4.22Å; M93-E131 HydrophobicContact CG-CG 3.89Å
132	N	90.5	Very high	92.1	Very high	75 Å²	75	44 Å²	44	40%	0.401	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	172.4	174.2	-65.7	-50.5	0	0	0	110.5	L82 G83 I134	L82-N132 WeakPolarHBondContact CA-O 3.31Å; G83-N132 PolarHBondContact N-O 2.68Å; N132-I134 PolarHBondContact O-N 2.63Å
133	A	92.4	Very high	92.1	Very high	23 Å²	23	41.7 Å²	41.7	19%	0.19	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	126.3	170	0	0	0	0	0	110.1	M81 L82 I121 F165	M81-A133 WeakPolarHBondContact O-CA 3.48Å; L82-A133 HydrophobicContact CD2-CB 4.49Å; I121-A133 HydrophobicContact CD1-CB 4.33Å; A133-F165 HydrophobicContact CB-CE2 4.39Å
134	I	95.2	Very high	92.1	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-7.6	-179.5	-162.9	62.3	0	0	0	112	M81 V85 M90 I92 N132 P164 F165 V166	M81-I134 HydrophobicContact CB-CG2 4.27Å; M81-I134 PolarHBondContact O-N 2.97Å; V85-I134 HydrophobicContact CG1-CD1 3.79Å; M90-I134 HydrophobicContact CE-CD1 3.85Å; M90-I134 HydrophobicContact CE-CG1 3.69Å; M90-I134 WeakPolarHBondContact CE-O 3.37Å; I92-I134 HydrophobicContact CG1-CG2 4.06Å; N132-I134 PolarHBondContact O-N 2.63Å; I134-P164 HydrophobicContact CD1-CG 4.03Å; I134-P164 WeakPolarHBondContact CD1-O 3.5Å; I134-F165 CarbonylContact O-C 3.56Å; I134-F165 WeakPolarHBondContact O-CA 3.35Å; I134-V166 PolarHBondContact O-N 3.14Å
135	G	96	Very high	92.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.8	178	-175.7	0	0	0	0	0	112.8	L80 M81 F165 V166	L80-G135 WeakPolarHBondContact CD2-O 3.49Å; M81-G135 PolarHBondContact N-O 3.34Å; G135-F165 VanDerWaalsContact C-CZ 3.46Å; G135-F165 VanDerWaalsContact CA-CZ 3.49Å; G135-V166 CarbonylContact C-O 3.55Å; G135-V166 WeakPolarHBondContact CA-O 3.26Å
136	W	95.6	Very high	92.6	Very high	9 Å²	9	33.5 Å²	33.5	3%	0.034	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	154.6	172.9	68.8	-63.3	0	0	0	109.7	G79 L80 M81 V107 H138 D151 T154 Q155 F165 V166 A167 V168	G79-W136 CarbonylContact O-C 3.59Å; G79-W136 VanDerWaalsContact O-CA 3.31Å; G79-W136 WeakPolarHBondContact O-CA 3.41Å; L80-W136 HydrophobicContact CD2-CB 3.83Å; M81-W136 WeakPolarHBondContact CE-O 3.33Å; V107-W136 HydrophobicContact CG1-CZ3 4.43Å; W136-H138 HydrophobicContact CE3-CB 4.26Å; W136-H138 AromaticContact CE3-ND1 3.7Å; W136-H138 AromaticContact CH2-CE1 3.48Å; W136-H138 VanDerWaalsContact CH2-CE1 3.48Å; W136-H138 WeakPolarHBondContact CH2-CE1 3.28Å; W136-H138 AromaticContact CH2-ND1 3.19Å; W136-H138 WeakPolarHBondContact CH2-ND1 3.33Å; W136-H138 AromaticContact CZ2-ND1 3.96Å; W136-H138 HydrophobicContact CZ3-CB 3.81Å; W136-H138 AromaticContact CZ3-CE1 3.82Å; W136-H138 AromaticContact CZ3-CG 3.58Å; W136-H138 AromaticContact CZ3-ND1 3.04Å; W136-H138 WeakPolarHBondContact CZ3-ND1 3.24Å; W136-D151 HydrophobicContact CH2-CB 4.07Å; W136-D151 HydrophobicContact CZ2-CB 4.29Å; W136-T154 HydrophobicContact CH2-CG2 4.31Å; W136-T154 HydrophobicContact CZ2-CG2 4.12Å; W136-Q155 VanDerWaalsContact CD1-OE1 3.32Å; W136-F165 HydrophobicContact CB-CE1 4.1Å; W136-F165 AromaticContact CD1-CD1 3.87Å; W136-F165 AromaticContact CD1-CE1 3.5Å; W136-F165 HydrophobicContact CG-CE1 4.12Å; W136-V166 PolarHBondContact N-O 3.31Å; W136-A167 HydrophobicContact CZ2-CB 4.12Å; W136-A167 CarbonylContact O-C 3.56Å; W136-A167 WeakPolarHBondContact O-CA 3.39Å; W136-V168 PolarHBondContact O-N 3.46Å
137	Y	96.5	Very high	92.7	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.4	170.4	72.6	-84.6	0	0	0	110.5	M65 H68 M78 G79 M81 F96 V168 I170	M65-Y137 HydrophobicContact CB-CD2 4Å; M65-Y137 HydrophobicContact CB-CE2 3.94Å; M65-Y137 HydrophobicContact CB-CG 4.36Å; M65-Y137 HydrophobicContact CG-CD1 3.73Å; M65-Y137 HydrophobicContact CG-CD2 3.94Å; M65-Y137 HydrophobicContact CG-CE1 3.74Å; M65-Y137 HydrophobicContact CG-CE2 3.95Å; M65-Y137 HydrophobicContact CG-CG 3.83Å; M65-Y137 HydrophobicContact SD-CD1 3.66Å; M65-Y137 HydrophobicContact SD-CD2 4.2Å; M65-Y137 HydrophobicContact SD-CE1 4.28Å; M65-Y137 HydrophobicContact SD-CG 3.61Å; H68-Y137 AromaticContact ND1-CE2 3.6Å; H68-Y137 AromaticContact ND1-CZ 3.6Å; H68-Y137 PolarHBondContact ND1-OH 3.09Å; M78-Y137 CarbonylContact C-O 3.59Å; M78-Y137 WeakPolarHBondContact CA-O 3.29Å; M78-Y137 WeakPolarHBondContact CB-O 3.32Å; G79-Y137 VanDerWaalsContact C-CE1 3.42Å; G79-Y137 PolarHBondContact N-O 2.97Å; G79-Y137 PolarHBondContact O-N 3.49Å; M81-Y137 HydrophobicContact CG-CD1 3.83Å; M81-Y137 HydrophobicContact SD-CD1 4.44Å; F96-Y137 PolarHBondContact O-OH 3.21Å; Y137-V168 CarbonylContact C-O 3.59Å; Y137-V168 WeakPolarHBondContact CA-O 3.42Å; Y137-V168 WeakPolarHBondContact CB-O 3.48Å; Y137-I170 HydrophobicContact CD2-CD1 4.26Å
138	H	95	Very high	92.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	168.1	167.7	65.3	-78	0	0	0	111	V77 M78 W136 H140 D151 V168 V169 I170	V77-H138 CarbonylContact O-C 3.55Å; V77-H138 WeakPolarHBondContact O-CA 3.03Å; V77-H138 WeakPolarHBondContact O-CB 3.43Å; M78-H138 HydrophobicContact CB-CB 4.04Å; W136-H138 HydrophobicContact CE3-CB 4.26Å; W136-H138 AromaticContact CE3-ND1 3.7Å; W136-H138 AromaticContact CH2-CE1 3.48Å; W136-H138 VanDerWaalsContact CH2-CE1 3.48Å; W136-H138 WeakPolarHBondContact CH2-CE1 3.28Å; W136-H138 AromaticContact CH2-ND1 3.19Å; W136-H138 WeakPolarHBondContact CH2-ND1 3.33Å; W136-H138 AromaticContact CZ2-ND1 3.96Å; W136-H138 HydrophobicContact CZ3-CB 3.81Å; W136-H138 AromaticContact CZ3-CE1 3.82Å; W136-H138 AromaticContact CZ3-CG 3.58Å; W136-H138 AromaticContact CZ3-ND1 3.04Å; W136-H138 WeakPolarHBondContact CZ3-ND1 3.24Å; H138-H140 AromaticContact CD2-CD2 3.62Å; H138-H140 AromaticContact CD2-NE2 3.62Å; H138-H140 AromaticContact NE2-CD2 3.69Å; H138-H140 AromaticContact NE2-CE1 3.91Å; H138-H140 AromaticContact NE2-NE2 3.26Å; H138-H140 PolarHBondContact NE2-NE2 2.84Å; H138-D151 IonicContact CE1-OD1 3.04Å; H138-D151 IonicContact NE2-OD1 3.95Å; H138-D151 IonicContact NE2-OD2 2.92Å; H138-V168 PolarHBondContact N-O 3.41Å; H138-V169 WeakPolarHBondContact O-CA 3.08Å; H138-I170 PolarHBondContact O-N 2.98Å
139	S	94.9	Very high	93.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.1	-179	64.5	0	0	0	0	113	E76 V77 I170	E76-S139 WeakPolarHBondContact CA-OG 3.26Å; E76-S139 WeakPolarHBondContact CB-O 3.4Å; E76-S139 VanDerWaalsContact CG-O 3.31Å; E76-S139 WeakPolarHBondContact CG-O 3.34Å; V77-S139 PolarHBondContact N-OG 2.83Å; V77-S139 PolarHBondContact O-N 3.24Å; S139-I170 CarbonylContact C-O 3.56Å; S139-I170 WeakPolarHBondContact CA-O 3.41Å
140	H	94.2	Very high	93.1	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.014	10%	0.102	C	C	.	.			trans	-115.6	91.7	167.5	-81.2	-172.9	0	0	0	109.9	E76 H138 G142 Y143 G144 W146 D151 V169 I170 D171	E76-H140 IonicContact OE1-CD2 2.67Å; H138-H140 AromaticContact CD2-CD2 3.62Å; H138-H140 AromaticContact CD2-NE2 3.62Å; H138-H140 AromaticContact NE2-CD2 3.69Å; H138-H140 AromaticContact NE2-CE1 3.91Å; H138-H140 AromaticContact NE2-NE2 3.26Å; H138-H140 PolarHBondContact NE2-NE2 2.84Å; H140-G142 PolarHBondContact O-N 2.97Å; H140-Y143 HydrophobicContact CB-CD2 3.93Å; H140-Y143 HydrophobicContact CB-CG 4.42Å; H140-G144 WeakPolarHBondContact CB-O 3.43Å; H140-G144 PolarHBondContact ND1-O 2.84Å; H140-W146 PolarHBondContact CE1-O 3.37Å; H140-W146 AromaticContact ND1-NE1 3.92Å; H140-W146 PolarHBondContact ND1-O 3.13Å; H140-D151 IonicContact CE1-OD2 2.7Å; H140-D151 IonicContact NE2-OD2 2.71Å; H140-V169 HydrophobicContact CB-CG1 3.94Å; H140-I170 PolarHBondContact N-O 3.05Å; H140-D171 WeakPolarHBondContact O-CA 3Å; H140-D171 WeakPolarHBondContact O-CB 3.47Å
141	P	93.2	Very high	93.2	Very high	9 Å²	9	15 Å²	15	6%	0.058	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	97.5	-175.7	-20	34.4	0	0	0	112.7	Y143 P172	P141-Y143 WeakPolarHBondContact O-CD1 3.48Å; P141-Y143 WeakPolarHBondContact O-CE1 3.49Å; P141-P172 HydrophobicContact CB-CG 4.33Å; P141-P172 HydrophobicContact CG-CG 4.38Å
142	G	91.7	Very high	93.3	Very high	7 Å²	7	13.9 Å²	13.9	7%	0.072	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-3.8	175.5	0	0	0	0	0	115.4	H140 D171 R174	H140-G142 PolarHBondContact O-N 2.97Å; G142-D171 VanDerWaalsContact CA-OD2 3.25Å; G142-D171 WeakPolarHBondContact CA-OD2 3.35Å; G142-D171 VanDerWaalsContact N-CG 3.27Å; G142-D171 PolarHBondContact N-OD1 3.36Å; G142-D171 PolarHBondContact N-OD2 3.31Å; G142-R174 PolarHBondContact O-NE 2.87Å; G142-R174 PolarHBondContact O-NH2 3.44Å
143	Y	89.4	Confident	93.4	Very high	47 Å²	47	14 Å²	14	18%	0.184	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-11.3	-173.2	-39.5	-35.6	0	0	0	113.9	H140 P141 W146 D171 R174 P207	H140-Y143 HydrophobicContact CB-CD2 3.93Å; H140-Y143 HydrophobicContact CB-CG 4.42Å; P141-Y143 WeakPolarHBondContact O-CD1 3.48Å; P141-Y143 WeakPolarHBondContact O-CE1 3.49Å; Y143-W146 PolarHBondContact O-NE1 3.07Å; Y143-W146 VanDerWaalsContact O-NE1 3.14Å; Y143-D171 PolarHBondContact N-OD2 3.47Å; Y143-D171 VanDerWaalsContact N-OD2 3.11Å; Y143-R174 VanDerWaalsContact C-NH2 3.25Å; Y143-R174 PolarHBondContact O-NH2 2.68Å; Y143-P207 HydrophobicContact CD1-CG 4.01Å
144	G	92.3	Very high	93.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.085	C	C	.	.			trans	83.8	173.5	-169	0	0	0	0	0	112.6	H140 D171	H140-G144 WeakPolarHBondContact CB-O 3.43Å; H140-G144 PolarHBondContact ND1-O 2.84Å; G144-D171 WeakPolarHBondContact CA-OD2 3.49Å; G144-D171 PolarHBondContact N-OD2 3.16Å
145	C	94.8	Very high	93.3	Very high	7 Å²	7	14 Å²	14	5%	0.047	8%	0.083	C	C	.	.	S	Bend	trans	-97.5	107.6	-176.1	-63.1	0	0	0	0	110.4	V169 N182 F186	C145-V169 HydrophobicContact CB-CB 4.03Å; C145-V169 HydrophobicContact CB-CG1 4.2Å; C145-V169 PolarHBondContact SG-O 3.45Å; C145-N182 PolarHBondContact SG-O 3.03Å; C145-N182 VanDerWaalsContact SG-O 3.41Å; C145-N182 PolarHBondContact SG-OD1 3.45Å; C145-F186 HydrophobicContact CB-CE2 4.25Å; C145-F186 HydrophobicContact CB-CZ 4.23Å; C145-F186 VanDerWaalsContact O-CZ 3.28Å; C145-F186 WeakPolarHBondContact O-CZ 3.45Å
146	W	94.4	Very high	93.1	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	10%	0.095	C	C	.	.			trans	-160.5	166.9	178.7	57.2	-84.2	0	0	0	108.3	H140 Y143 K210 D213 F214 Y221	H140-W146 PolarHBondContact CE1-O 3.37Å; H140-W146 AromaticContact ND1-NE1 3.92Å; H140-W146 PolarHBondContact ND1-O 3.13Å; Y143-W146 PolarHBondContact O-NE1 3.07Å; Y143-W146 VanDerWaalsContact O-NE1 3.14Å; W146-K210 HydrophobicContact CH2-CB 4.14Å; W146-K210 HydrophobicContact CH2-CD 4.41Å; W146-K210 HydrophobicContact CZ2-CB 3.76Å; W146-K210 HydrophobicContact CZ2-CD 4.32Å; W146-K210 HydrophobicContact CZ2-CG 4.17Å; W146-D213 HydrophobicContact CH2-CB 4.23Å; W146-D213 HydrophobicContact CZ3-CB 4.29Å; W146-F214 HydrophobicContact CB-CD2 3.66Å; W146-F214 HydrophobicContact CB-CE2 3.76Å; W146-F214 HydrophobicContact CD2-CB 4.17Å; W146-F214 AromaticContact CD2-CD2 3.77Å; W146-F214 HydrophobicContact CD2-CD2 3.77Å; W146-F214 HydrophobicContact CD2-CG 4.42Å; W146-F214 HydrophobicContact CE3-CB 3.82Å; W146-F214 AromaticContact CE3-CD2 3.77Å; W146-F214 HydrophobicContact CE3-CD2 3.77Å; W146-F214 HydrophobicContact CE3-CG 4.31Å; W146-F214 AromaticContact CG-CD2 3.71Å; W146-F214 HydrophobicContact CG-CD2 3.71Å; W146-F214 HydrophobicContact CG-CE2 4.24Å; W146-F214 HydrophobicContact CH2-CB 4.38Å; W146-F214 HydrophobicContact CZ3-CB 3.91Å; W146-Y221 WeakPolarHBondContact CB-OH 3.49Å
147	L	93.7	Very high	92.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.			trans	-103.5	126.7	177.6	-58.8	-177.9	0	0	0	110.8	D151 V152 A167 V169 F186 T188 Y221	L147-D151 HydrophobicContact CB-CB 3.9Å; L147-D151 HydrophobicContact CD2-CB 3.89Å; L147-D151 HydrophobicContact CG-CB 4.42Å; L147-V152 HydrophobicContact CB-CG2 3.77Å; L147-V152 HydrophobicContact CD1-CG2 4.35Å; L147-A167 HydrophobicContact CD1-CB 4.42Å; L147-A167 HydrophobicContact CD2-CB 4.01Å; L147-V169 HydrophobicContact CD2-CG2 3.64Å; L147-F186 HydrophobicContact CD1-CB 3.7Å; L147-F186 HydrophobicContact CD1-CG 4.37Å; L147-F186 HydrophobicContact CD2-CB 4.36Å; L147-F186 HydrophobicContact CD2-CD2 4.05Å; L147-F186 HydrophobicContact CD2-CG 4.46Å; L147-F186 HydrophobicContact CG-CB 3.98Å; L147-F186 HydrophobicContact CG-CD2 4.14Å; L147-F186 HydrophobicContact CG-CG 4.11Å; L147-T188 HydrophobicContact CD1-CG2 4.31Å; L147-Y221 HydrophobicContact CB-CD1 3.91Å; L147-Y221 HydrophobicContact CB-CE1 3.69Å; L147-Y221 HydrophobicContact CB-CG 4.4Å; L147-Y221 HydrophobicContact CD1-CD1 4.12Å; L147-Y221 HydrophobicContact CD1-CD2 4.32Å; L147-Y221 HydrophobicContact CD1-CG 3.92Å; L147-Y221 HydrophobicContact CG-CD1 4.35Å; L147-Y221 HydrophobicContact CG-CD2 4.41Å; L147-Y221 HydrophobicContact CG-CE1 4.41Å; L147-Y221 HydrophobicContact CG-CE2 4.49Å; L147-Y221 HydrophobicContact CG-CG 4.34Å; L147-Y221 PolarHBondContact N-OH 3.03Å; L147-Y221 WeakPolarHBondContact O-CE1 3.21Å
148	S	92.2	Very high	92.7	Very high	12 Å²	12	21.6 Å²	21.6	8%	0.084	12%	0.123	C	C	.	.			trans	-67.5	169.5	167.8	70.9	0	0	0	0	112.1	I150 D151 V152 D213	S148-I150 PolarHBondContact O-N 3.5Å; S148-I150 PolarHBondContact OG-N 2.98Å; S148-D151 VanDerWaalsContact CB-OD2 3.23Å; S148-D151 WeakPolarHBondContact CB-OD2 3.38Å; S148-D151 PolarHBondContact N-OD2 3.28Å; S148-D151 PolarHBondContact O-N 2.9Å; S148-D151 VanDerWaalsContact O-N 3.14Å; S148-D151 PolarHBondContact OG-N 2.91Å; S148-D151 VanDerWaalsContact OG-N 3.11Å; S148-D151 PolarHBondContact OG-OD2 3.03Å; S148-V152 WeakPolarHBondContact O-CG2 3.29Å; S148-V152 PolarHBondContact O-N 2.86Å; S148-D213 WeakPolarHBondContact CA-OD2 3.44Å; S148-D213 WeakPolarHBondContact CB-OD2 3.27Å
149	G	91.1	Very high	92.6	Very high	10 Å²	10	22.5 Å²	22.5	10%	0.103	13%	0.127	C	C	.	.	H	α-helix	trans	-56.9	-32.7	172.3	0	0	0	0	0	113.9	S153 D213 H217	G149-S153 WeakPolarHBondContact O-CB 3.24Å; G149-S153 PolarHBondContact O-N 3.28Å; G149-S153 VanDerWaalsContact O-N 3.1Å; G149-S153 PolarHBondContact O-OG 2.84Å; G149-D213 PolarHBondContact N-OD1 2.96Å; G149-D213 VanDerWaalsContact N-OD1 3.07Å; G149-H217 VanDerWaalsContact CA-CD2 3.49Å; G149-H217 WeakPolarHBondContact CA-CD2 3.33Å
150	I	89.6	Confident	92.4	Very high	71 Å²	71	29.3 Å²	29.3	36%	0.364	16%	0.159	S	C	.	.	H	α-helix	trans	-72.5	-42.8	176.3	-63.3	169.5	0	0	0	110.2	T105 S148 S153 T154	T105-I150 WeakPolarHBondContact O-CD1 3.46Å; S148-I150 PolarHBondContact O-N 3.5Å; S148-I150 PolarHBondContact OG-N 2.98Å; I150-S153 PolarHBondContact O-N 3.38Å; I150-T154 WeakPolarHBondContact O-CB 3.46Å; I150-T154 PolarHBondContact O-N 2.89Å; I150-T154 PolarHBondContact O-OG1 2.85Å
151	D	93.1	Very high	92.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-66.5	-41	179.2	-55	-41.6	0	0	0	111.4	W136 H138 H140 L147 S148 S153 T154 Q155	W136-D151 HydrophobicContact CH2-CB 4.07Å; W136-D151 HydrophobicContact CZ2-CB 4.29Å; H138-D151 IonicContact CE1-OD1 3.04Å; H138-D151 IonicContact NE2-OD1 3.95Å; H138-D151 IonicContact NE2-OD2 2.92Å; H140-D151 IonicContact CE1-OD2 2.7Å; H140-D151 IonicContact NE2-OD2 2.71Å; L147-D151 HydrophobicContact CB-CB 3.9Å; L147-D151 HydrophobicContact CD2-CB 3.89Å; L147-D151 HydrophobicContact CG-CB 4.42Å; S148-D151 VanDerWaalsContact CB-OD2 3.23Å; S148-D151 WeakPolarHBondContact CB-OD2 3.38Å; S148-D151 PolarHBondContact N-OD2 3.28Å; S148-D151 PolarHBondContact O-N 2.9Å; S148-D151 VanDerWaalsContact O-N 3.14Å; S148-D151 PolarHBondContact OG-N 2.91Å; S148-D151 VanDerWaalsContact OG-N 3.11Å; S148-D151 PolarHBondContact OG-OD2 3.03Å; D151-S153 VanDerWaalsContact C-N 3.33Å; D151-S153 PolarHBondContact O-N 2.94Å; D151-T154 PolarHBondContact O-N 2.93Å; D151-Q155 VanDerWaalsContact O-CB 3.24Å; D151-Q155 WeakPolarHBondContact O-CB 3.37Å; D151-Q155 PolarHBondContact O-N 2.95Å
152	V	93.1	Very high	91.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-47.9	173	170.7	0	0	0	0	110	L147 S148 T154 Q155 M156 T188 H217 Q220 Y221	L147-V152 HydrophobicContact CB-CG2 3.77Å; L147-V152 HydrophobicContact CD1-CG2 4.35Å; S148-V152 WeakPolarHBondContact O-CG2 3.29Å; S148-V152 PolarHBondContact O-N 2.86Å; V152-T154 VanDerWaalsContact C-N 3.33Å; V152-T154 PolarHBondContact O-N 3.45Å; V152-Q155 PolarHBondContact O-N 3.31Å; V152-M156 HydrophobicContact CG1-CG 4.27Å; V152-M156 HydrophobicContact CG1-SD 3.94Å; V152-M156 WeakPolarHBondContact O-CB 3.24Å; V152-M156 WeakPolarHBondContact O-CG 3.33Å; V152-M156 PolarHBondContact O-N 3.17Å; V152-T188 HydrophobicContact CB-CG2 4.38Å; V152-T188 HydrophobicContact CG1-CG2 3.94Å; V152-T188 HydrophobicContact CG2-CG2 4.47Å; V152-H217 HydrophobicContact CG2-CB 4.34Å; V152-Q220 HydrophobicContact CG1-CB 4.03Å; V152-Y221 HydrophobicContact CG2-CD1 3.62Å; V152-Y221 HydrophobicContact CG2-CE1 4.04Å
153	S	92.3	Very high	91.7	Very high	77 Å²	77	42.3 Å²	42.3	54%	0.538	22%	0.215	S	C	.	.	H	α-helix	trans	-61.2	-42.4	178.8	-60.8	0	0	0	0	112	G149 I150 D151 L157	G149-S153 WeakPolarHBondContact O-CB 3.24Å; G149-S153 PolarHBondContact O-N 3.28Å; G149-S153 VanDerWaalsContact O-N 3.1Å; G149-S153 PolarHBondContact O-OG 2.84Å; I150-S153 PolarHBondContact O-N 3.38Å; D151-S153 VanDerWaalsContact C-N 3.33Å; D151-S153 PolarHBondContact O-N 2.94Å; S153-L157 WeakPolarHBondContact O-CB 3.15Å; S153-L157 PolarHBondContact O-N 2.77Å
154	T	91.2	Very high	92	Very high	32 Å²	32	40.4 Å²	40.4	20%	0.196	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-46.1	178	-58.6	0	0	0	0	111.4	W136 I150 D151 V152 L157 N158	W136-T154 HydrophobicContact CH2-CG2 4.31Å; W136-T154 HydrophobicContact CZ2-CG2 4.12Å; I150-T154 WeakPolarHBondContact O-CB 3.46Å; I150-T154 PolarHBondContact O-N 2.89Å; I150-T154 PolarHBondContact O-OG1 2.85Å; D151-T154 PolarHBondContact O-N 2.93Å; V152-T154 VanDerWaalsContact C-N 3.33Å; V152-T154 PolarHBondContact O-N 3.45Å; T154-L157 WeakPolarHBondContact O-CB 3.43Å; T154-L157 PolarHBondContact O-N 3Å; T154-N158 PolarHBondContact O-N 3.39Å; T154-N158 PolarHBondContact O-ND2 3.42Å
155	Q	94.4	Very high	92.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-39.4	178.3	177.5	57.9	14.9	0	0	111.9	W136 D151 V152 N158 Q159 F165 A167 T188	W136-Q155 VanDerWaalsContact CD1-OE1 3.32Å; D151-Q155 VanDerWaalsContact O-CB 3.24Å; D151-Q155 WeakPolarHBondContact O-CB 3.37Å; D151-Q155 PolarHBondContact O-N 2.95Å; V152-Q155 PolarHBondContact O-N 3.31Å; Q155-N158 PolarHBondContact O-N 3.09Å; Q155-Q159 WeakPolarHBondContact O-CB 3.22Å; Q155-Q159 PolarHBondContact O-N 3.22Å; Q155-F165 PolarHBondContact NE2-O 3.39Å; Q155-A167 HydrophobicContact CB-CB 4.33Å; Q155-A167 HydrophobicContact CG-CB 4.05Å; Q155-T188 HydrophobicContact CB-CG2 3.87Å; Q155-T188 HydrophobicContact CG-CG2 3.68Å
156	M	92.7	Very high	92.3	Very high	53 Å²	53	40.2 Å²	40.2	26%	0.261	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-44	173.6	-76.1	-178.2	73.4	0	0	111.6	V152 Q159 Q160 T188 K191	V152-M156 HydrophobicContact CG1-CG 4.27Å; V152-M156 HydrophobicContact CG1-SD 3.94Å; V152-M156 WeakPolarHBondContact O-CB 3.24Å; V152-M156 WeakPolarHBondContact O-CG 3.33Å; V152-M156 PolarHBondContact O-N 3.17Å; M156-Q159 PolarHBondContact O-N 3.19Å; M156-Q160 WeakPolarHBondContact O-CB 3.45Å; M156-Q160 PolarHBondContact O-N 3.43Å; M156-T188 HydrophobicContact CG-CG2 3.98Å; M156-T188 WeakPolarHBondContact CG-OG1 3.28Å; M156-K191 HydrophobicContact CE-CB 3.86Å; M156-K191 HydrophobicContact CE-CG 4.49Å
157	L	91.4	Very high	92.4	Very high	89 Å²	89	40.1 Å²	40.1	47%	0.466	21%	0.207	S	C	.	.	H	α-helix	trans	-60.9	-46.5	176.1	-169.8	76.8	0	0	0	111	S153 T154 Q160 F161	S153-L157 WeakPolarHBondContact O-CB 3.15Å; S153-L157 PolarHBondContact O-N 2.77Å; T154-L157 WeakPolarHBondContact O-CB 3.43Å; T154-L157 PolarHBondContact O-N 3Å; L157-Q160 WeakPolarHBondContact O-CB 3.44Å; L157-Q160 PolarHBondContact O-N 3.36Å; L157-F161 HydrophobicContact CD1-CD2 4.03Å; L157-F161 HydrophobicContact CD1-CE2 3.57Å; L157-F161 HydrophobicContact CG-CD2 4.09Å; L157-F161 HydrophobicContact CG-CE2 4.14Å; L157-F161 VanDerWaalsContact O-CD2 3.27Å; L157-F161 WeakPolarHBondContact O-CD2 3.44Å; L157-F161 PolarHBondContact O-N 2.93Å; L157-F161 VanDerWaalsContact O-N 3.16Å
158	N	91.8	Very high	92.6	Very high	30 Å²	30	40.1 Å²	40.1	16%	0.16	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-43.8	178.1	-72.2	-30.2	0	0	0	112	T154 Q155 Q160 F161 Q162 F165	T154-N158 PolarHBondContact O-N 3.39Å; T154-N158 PolarHBondContact O-ND2 3.42Å; Q155-N158 PolarHBondContact O-N 3.09Å; N158-Q160 PolarHBondContact O-N 3Å; N158-F161 PolarHBondContact O-N 3.39Å; N158-Q162 CarbonylContact O-C 3.54Å; N158-Q162 WeakPolarHBondContact O-CA 3.08Å; N158-Q162 WeakPolarHBondContact O-CB 3.38Å; N158-Q162 PolarHBondContact O-N 3.39Å; N158-F165 HydrophobicContact CB-CD1 3.44Å; N158-F165 VanDerWaalsContact CB-CD1 3.44Å; N158-F165 HydrophobicContact CB-CE1 3.69Å; N158-F165 HydrophobicContact CB-CG 4.08Å
159	Q	92.8	Very high	92.9	Very high	21 Å²	21	39.6 Å²	39.6	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-32	173.6	-80.7	-178.5	-141.1	0	0	112.3	Q155 M156 E163 F165 T188	Q155-Q159 WeakPolarHBondContact O-CB 3.22Å; Q155-Q159 PolarHBondContact O-N 3.22Å; M156-Q159 PolarHBondContact O-N 3.19Å; Q159-E163 WeakPolarHBondContact CB-OE2 3.25Å; Q159-E163 WeakPolarHBondContact O-CB 3.31Å; Q159-F165 HydrophobicContact CG-CB 4.21Å; Q159-T188 PolarHBondContact NE2-O 2.92Å; Q159-T188 PolarHBondContact OE1-OG1 2.98Å
160	Q	90.2	Very high	93.1	Very high	143 Å²	143	39.1 Å²	39.1	67%	0.668	20%	0.198	S	C	*	.	H	α-helix	trans	-68.6	-40.1	177.5	-176.8	177	-3.7	0	0	112.8	M156 L157 N158	M156-Q160 WeakPolarHBondContact O-CB 3.45Å; M156-Q160 PolarHBondContact O-N 3.43Å; L157-Q160 WeakPolarHBondContact O-CB 3.44Å; L157-Q160 PolarHBondContact O-N 3.36Å; N158-Q160 PolarHBondContact O-N 3Å
161	F	87.9	Confident	93.4	Very high	146 Å²	146	35.7 Å²	35.7	64%	0.64	18%	0.18	S	C	*	.	H	α-helix	trans	-102.2	-23	-173.7	-67	-70	0	0	0	114.5	L157 N158	L157-F161 HydrophobicContact CD1-CD2 4.03Å; L157-F161 HydrophobicContact CD1-CE2 3.57Å; L157-F161 HydrophobicContact CG-CD2 4.09Å; L157-F161 HydrophobicContact CG-CE2 4.14Å; L157-F161 VanDerWaalsContact O-CD2 3.27Å; L157-F161 WeakPolarHBondContact O-CD2 3.44Å; L157-F161 PolarHBondContact O-N 2.93Å; L157-F161 VanDerWaalsContact O-N 3.16Å; N158-F161 PolarHBondContact O-N 3.39Å
162	Q	87.2	Confident	93.5	Very high	83 Å²	83	35.7 Å²	35.7	39%	0.388	18%	0.18	S	C	.	.	S	Bend	trans	-137.8	58.9	-170.7	-60.8	-174.7	45.8	0	0	111.8	N158 P164 F165	N158-Q162 CarbonylContact O-C 3.54Å; N158-Q162 WeakPolarHBondContact O-CA 3.08Å; N158-Q162 WeakPolarHBondContact O-CB 3.38Å; N158-Q162 PolarHBondContact O-N 3.39Å; Q162-P164 CarbonylContact O-C 3.56Å; Q162-F165 HydrophobicContact CB-CD2 4.13Å; Q162-F165 HydrophobicContact CB-CE2 4.38Å; Q162-F165 WeakPolarHBondContact O-CB 3.16Å; Q162-F165 WeakPolarHBondContact O-CD2 3.32Å
163	E	90.9	Very high	93.5	Very high	62 Å²	62	36.5 Å²	36.5	29%	0.29	19%	0.185	S	C	.	.	S	Bend	trans	-86.4	135	177.5	-161.3	70.3	-100.7	0	0	111.6	W45 Q159 F165 R187	W45-E163 HydrophobicContact CZ2-CG 4.44Å; Q159-E163 WeakPolarHBondContact CB-OE2 3.25Å; Q159-E163 WeakPolarHBondContact O-CB 3.31Å; E163-F165 PolarHBondContact OE1-N 3.04Å; E163-F165 VanDerWaalsContact OE1-N 3.14Å; E163-R187 VanDerWaalsContact CD-NH2 3.33Å; E163-R187 IonicContact OE1-CZ 3.56Å; E163-R187 IonicContact OE1-NH1 3.71Å; E163-R187 PolarHBondContact OE1-NH1 2.91Å; E163-R187 IonicContact OE1-NH2 3.81Å; E163-R187 PolarHBondContact OE1-NH2 3.44Å; E163-R187 IonicContact OE2-NH2 3.69Å; E163-R187 PolarHBondContact OE2-NH2 2.82Å
164	P	94.4	Very high	93.5	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.052	16%	0.162	C	C	.	.	S	Bend	cis	-83.9	134.9	5.2	31.3	-31.7	0	0	0	115.5	L40 W45 F52 V85 M90 I134 Q162	L40-P164 HydrophobicContact CD2-CG 4.31Å; W45-P164 HydrophobicContact CH2-CB 4.42Å; W45-P164 HydrophobicContact CH2-CG 3.98Å; W45-P164 HydrophobicContact CZ2-CB 4.44Å; W45-P164 HydrophobicContact CZ2-CG 4.3Å; W45-P164 HydrophobicContact CZ3-CG 4.29Å; F52-P164 HydrophobicContact CE2-CB 3.67Å; F52-P164 HydrophobicContact CZ-CB 3.65Å; F52-P164 HydrophobicContact CZ-CG 4.26Å; V85-P164 HydrophobicContact CG1-CB 4.16Å; V85-P164 HydrophobicContact CG1-CG 3.53Å; V85-P164 HydrophobicContact CG2-CG 4.45Å; M90-P164 HydrophobicContact CE-CB 4.17Å; I134-P164 HydrophobicContact CD1-CG 4.03Å; I134-P164 WeakPolarHBondContact CD1-O 3.5Å; Q162-P164 CarbonylContact O-C 3.56Å
165	F	95.6	Very high	93.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	16%	0.157	C	C	.	.			trans	-132.1	141.4	179.8	-137.1	-112.3	0	0	0	114.9	L80 A133 I134 G135 W136 Q155 N158 Q159 Q162 E163 R187	L80-F165 HydrophobicContact CD2-CZ 4.24Å; A133-F165 HydrophobicContact CB-CE2 4.39Å; I134-F165 CarbonylContact O-C 3.56Å; I134-F165 WeakPolarHBondContact O-CA 3.35Å; G135-F165 VanDerWaalsContact C-CZ 3.46Å; G135-F165 VanDerWaalsContact CA-CZ 3.49Å; W136-F165 HydrophobicContact CB-CE1 4.1Å; W136-F165 AromaticContact CD1-CD1 3.87Å; W136-F165 AromaticContact CD1-CE1 3.5Å; W136-F165 HydrophobicContact CG-CE1 4.12Å; Q155-F165 PolarHBondContact NE2-O 3.39Å; N158-F165 HydrophobicContact CB-CD1 3.44Å; N158-F165 VanDerWaalsContact CB-CD1 3.44Å; N158-F165 HydrophobicContact CB-CE1 3.69Å; N158-F165 HydrophobicContact CB-CG 4.08Å; Q159-F165 HydrophobicContact CG-CB 4.21Å; Q162-F165 HydrophobicContact CB-CD2 4.13Å; Q162-F165 HydrophobicContact CB-CE2 4.38Å; Q162-F165 WeakPolarHBondContact O-CB 3.16Å; Q162-F165 WeakPolarHBondContact O-CD2 3.32Å; E163-F165 PolarHBondContact OE1-N 3.04Å; E163-F165 VanDerWaalsContact OE1-N 3.14Å; F165-R187 PolarHBondContact O-NH1 2.92Å
166	V	97.5	Very high	93.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.4	176	66.8	0	0	0	0	112.1	M81 M90 I92 I134 G135 W136 A185 F186 R187 L224	M81-V166 HydrophobicContact CE-CG1 3.82Å; M90-V166 HydrophobicContact CE-CB 3.77Å; M90-V166 HydrophobicContact CE-CG1 3.95Å; M90-V166 HydrophobicContact SD-CB 3.79Å; M90-V166 HydrophobicContact SD-CG1 4.39Å; M90-V166 HydrophobicContact SD-CG2 4.49Å; I92-V166 HydrophobicContact CD1-CG1 4.35Å; I134-V166 PolarHBondContact O-N 3.14Å; G135-V166 CarbonylContact C-O 3.55Å; G135-V166 WeakPolarHBondContact CA-O 3.26Å; W136-V166 PolarHBondContact N-O 3.31Å; V166-A185 HydrophobicContact CG2-CB 4.18Å; V166-F186 WeakPolarHBondContact CG2-O 3.07Å; V166-R187 HydrophobicContact CG2-CG 4.31Å; V166-L224 HydrophobicContact CG2-CD2 4.32Å
167	A	97.5	Very high	92.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.6	169.2	0	0	0	0	0	109.7	W136 L147 Q155 A185 F186	W136-A167 HydrophobicContact CZ2-CB 4.12Å; W136-A167 CarbonylContact O-C 3.56Å; W136-A167 WeakPolarHBondContact O-CA 3.39Å; L147-A167 HydrophobicContact CD1-CB 4.42Å; L147-A167 HydrophobicContact CD2-CB 4.01Å; Q155-A167 HydrophobicContact CB-CB 4.33Å; Q155-A167 HydrophobicContact CG-CB 4.05Å; A167-A185 CarbonylContact O-C 3.49Å; A167-A185 WeakPolarHBondContact O-CA 3.32Å; A167-F186 PolarHBondContact N-O 3.21Å; A167-F186 PolarHBondContact O-N 3.44Å
168	V	98.2	Very high	92.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.3	173.5	165.6	0	0	0	0	109.9	M65 M81 I92 W136 Y137 H138 I170 L183 G184 A185	M65-V168 HydrophobicContact SD-CG1 4.35Å; M81-V168 HydrophobicContact CE-CB 3.89Å; M81-V168 HydrophobicContact CE-CG2 3.62Å; M81-V168 HydrophobicContact SD-CB 3.85Å; M81-V168 HydrophobicContact SD-CG1 4.45Å; M81-V168 HydrophobicContact SD-CG2 3.73Å; I92-V168 HydrophobicContact CD1-CG2 3.97Å; W136-V168 PolarHBondContact O-N 3.46Å; Y137-V168 CarbonylContact C-O 3.59Å; Y137-V168 WeakPolarHBondContact CA-O 3.42Å; Y137-V168 WeakPolarHBondContact CB-O 3.48Å; H138-V168 PolarHBondContact N-O 3.41Å; V168-I170 HydrophobicContact CG1-CD1 4.34Å; V168-I170 HydrophobicContact CG1-CG1 4.03Å; V168-L183 HydrophobicContact CG1-CD1 3.82Å; V168-L183 HydrophobicContact CG1-CD2 3.81Å; V168-L183 HydrophobicContact CG1-CG 3.69Å; V168-G184 CarbonylContact C-O 3.48Å; V168-G184 WeakPolarHBondContact CA-O 3.44Å; V168-A185 HydrophobicContact CG2-CB 4.04Å
169	V	97.4	Very high	92.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.4	176.4	-170.8	0	0	0	0	108.1	H138 H140 C145 L147 L183 G184 F186	H138-V169 WeakPolarHBondContact O-CA 3.08Å; H140-V169 HydrophobicContact CB-CG1 3.94Å; C145-V169 HydrophobicContact CB-CB 4.03Å; C145-V169 HydrophobicContact CB-CG1 4.2Å; C145-V169 PolarHBondContact SG-O 3.45Å; L147-V169 HydrophobicContact CD2-CG2 3.64Å; V169-L183 CarbonylContact O-C 3.51Å; V169-L183 VanDerWaalsContact O-CA 3.27Å; V169-L183 WeakPolarHBondContact O-CA 3.44Å; V169-G184 PolarHBondContact N-O 3.28Å; V169-G184 PolarHBondContact O-N 3.02Å; V169-F186 HydrophobicContact CB-CE2 4Å; V169-F186 HydrophobicContact CG2-CD2 3.75Å; V169-F186 HydrophobicContact CG2-CE2 3.62Å
170	I	97.1	Very high	92	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.2	178.8	-59.4	173.4	0	0	0	109.2	M65 V66 A69 Y137 H138 S139 H140 V168 P172 L183	M65-I170 HydrophobicContact CB-CD1 3.25Å; M65-I170 HydrophobicContact CE-CD1 4.43Å; M65-I170 HydrophobicContact CG-CD1 4.21Å; M65-I170 HydrophobicContact SD-CD1 4.12Å; V66-I170 HydrophobicContact CG2-CG2 4.3Å; A69-I170 HydrophobicContact CB-CB 4.37Å; A69-I170 HydrophobicContact CB-CG2 3.98Å; Y137-I170 HydrophobicContact CD2-CD1 4.26Å; H138-I170 PolarHBondContact O-N 2.98Å; S139-I170 CarbonylContact C-O 3.56Å; S139-I170 WeakPolarHBondContact CA-O 3.41Å; H140-I170 PolarHBondContact N-O 3.05Å; V168-I170 HydrophobicContact CG1-CD1 4.34Å; V168-I170 HydrophobicContact CG1-CG1 4.03Å; I170-P172 WeakPolarHBondContact O-CD 3.23Å; I170-L183 HydrophobicContact CD1-CD1 4.03Å; I170-L183 HydrophobicContact CG1-CB 4.39Å; I170-L183 HydrophobicContact CG1-CD1 3.82Å; I170-L183 HydrophobicContact CG1-CG 3.92Å
171	D	95.8	Very high	92.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	98.7	171.5	-172	-31.5	0	0	0	109.7	H140 G142 Y143 G144 T173 R174 T175 N182	H140-D171 WeakPolarHBondContact O-CA 3Å; H140-D171 WeakPolarHBondContact O-CB 3.47Å; G142-D171 VanDerWaalsContact CA-OD2 3.25Å; G142-D171 WeakPolarHBondContact CA-OD2 3.35Å; G142-D171 VanDerWaalsContact N-CG 3.27Å; G142-D171 PolarHBondContact N-OD1 3.36Å; G142-D171 PolarHBondContact N-OD2 3.31Å; Y143-D171 PolarHBondContact N-OD2 3.47Å; Y143-D171 VanDerWaalsContact N-OD2 3.11Å; G144-D171 WeakPolarHBondContact CA-OD2 3.49Å; G144-D171 PolarHBondContact N-OD2 3.16Å; D171-T173 VanDerWaalsContact C-N 3.29Å; D171-T173 PolarHBondContact O-N 3.46Å; D171-T173 WeakPolarHBondContact OD1-CB 3.45Å; D171-T173 PolarHBondContact OD1-N 2.96Å; D171-R174 HydrophobicContact CB-CB 4.1Å; D171-R174 HydrophobicContact CB-CG 4.44Å; D171-R174 PolarHBondContact OD1-N 3.09Å; D171-R174 WeakPolarHBondContact OD2-CD 3.34Å; D171-R174 WeakPolarHBondContact OD2-CG 3.16Å; D171-R174 IonicContact OD2-NE 2.74Å; D171-R174 PolarHBondContact OD2-NE 3.43Å; D171-T175 VanDerWaalsContact O-CB 3.24Å; D171-T175 WeakPolarHBondContact O-CB 3.36Å; D171-T175 PolarHBondContact O-N 2.86Å; D171-T175 PolarHBondContact O-OG1 2.86Å; D171-N182 HydrophobicContact CB-CB 4.16Å; D171-N182 PolarHBondContact N-O 3.43Å
172	P	95.2	Very high	92.6	Very high	2 Å²	2	32 Å²	32	1%	0.013	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-31.8	-179	27.5	-35.2	0	0	0	112.2	A69 R70 P141 I170 T175 I176	A69-P172 HydrophobicContact CB-CB 4.02Å; A69-P172 HydrophobicContact CB-CG 4.11Å; R70-P172 HydrophobicContact CB-CB 4.48Å; P141-P172 HydrophobicContact CB-CG 4.33Å; P141-P172 HydrophobicContact CG-CG 4.38Å; I170-P172 WeakPolarHBondContact O-CD 3.23Å; P172-T175 PolarHBondContact O-N 3.13Å; P172-I176 WeakPolarHBondContact O-CG1 3.35Å; P172-I176 PolarHBondContact O-N 2.97Å; P172-I176 VanDerWaalsContact O-N 3.16Å
173	T	93.2	Very high	93	Very high	18 Å²	18	29 Å²	29	11%	0.11	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-49.4	-178.4	-54.6	0	0	0	0	110.6	D171 T175 I176 S177 Y261	D171-T173 VanDerWaalsContact C-N 3.29Å; D171-T173 PolarHBondContact O-N 3.46Å; D171-T173 WeakPolarHBondContact OD1-CB 3.45Å; D171-T173 PolarHBondContact OD1-N 2.96Å; T173-T175 VanDerWaalsContact C-N 3.29Å; T173-T175 PolarHBondContact O-N 2.95Å; T173-I176 PolarHBondContact O-N 2.94Å; T173-S177 PolarHBondContact O-N 2.96Å; T173-Y261 HydrophobicContact CG2-CD1 4.11Å; T173-Y261 HydrophobicContact CG2-CD2 3.38Å; T173-Y261 HydrophobicContact CG2-CE2 4.05Å; T173-Y261 HydrophobicContact CG2-CG 3.41Å; T173-Y261 VanDerWaalsContact CG2-CG 3.41Å
174	R	92.1	Very high	93.3	Very high	13 Å²	13	26.6 Å²	26.6	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-67.3	-31.1	174.2	-69.3	-179.2	-164.3	-153.6	-5.5	112.5	G142 Y143 D171 I176 S177 A178 N182 T205	G142-R174 PolarHBondContact O-NE 2.87Å; G142-R174 PolarHBondContact O-NH2 3.44Å; Y143-R174 VanDerWaalsContact C-NH2 3.25Å; Y143-R174 PolarHBondContact O-NH2 2.68Å; D171-R174 HydrophobicContact CB-CB 4.1Å; D171-R174 HydrophobicContact CB-CG 4.44Å; D171-R174 PolarHBondContact OD1-N 3.09Å; D171-R174 WeakPolarHBondContact OD2-CD 3.34Å; D171-R174 WeakPolarHBondContact OD2-CG 3.16Å; D171-R174 IonicContact OD2-NE 2.74Å; D171-R174 PolarHBondContact OD2-NE 3.43Å; R174-I176 VanDerWaalsContact C-N 3.3Å; R174-I176 PolarHBondContact O-N 2.84Å; R174-S177 PolarHBondContact O-N 2.86Å; R174-A178 VanDerWaalsContact O-CB 3.3Å; R174-A178 WeakPolarHBondContact O-CB 3.46Å; R174-A178 PolarHBondContact O-N 3.45Å; R174-N182 HydrophobicContact CB-CB 4.02Å; R174-T205 PolarHBondContact NH1-O 3.02Å; R174-T205 PolarHBondContact NH2-O 2.77Å
175	T	92.7	Very high	93.5	Very high	14 Å²	14	26.2 Å²	26.2	9%	0.086	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-43.6	174.9	-68	0	0	0	0	111.5	V66 D171 P172 T173 G179 K180 V181 N182	V66-T175 HydrophobicContact CG1-CG2 4.24Å; D171-T175 VanDerWaalsContact O-CB 3.24Å; D171-T175 WeakPolarHBondContact O-CB 3.36Å; D171-T175 PolarHBondContact O-N 2.86Å; D171-T175 PolarHBondContact O-OG1 2.86Å; P172-T175 PolarHBondContact O-N 3.13Å; T173-T175 VanDerWaalsContact C-N 3.29Å; T173-T175 PolarHBondContact O-N 2.95Å; T175-G179 WeakPolarHBondContact O-CA 3.37Å; T175-G179 PolarHBondContact O-N 3.15Å; T175-K180 WeakPolarHBondContact CA-O 3.3Å; T175-K180 PolarHBondContact O-N 2.97Å; T175-V181 HydrophobicContact CG2-CB 4.39Å; T175-V181 HydrophobicContact CG2-CG2 4.15Å; T175-N182 PolarHBondContact OG1-N 3.01Å
176	I	88.1	Confident	93.6	Very high	56 Å²	56	26.8 Å²	26.8	29%	0.287	17%	0.167	S	C	.	.	H	α-helix	trans	-73.3	-39.4	178.5	-65.2	169	0	0	0	111	R70 P172 T173 R174 T257 N258	R70-I176 VanDerWaalsContact CD-CD1 3.5Å; R70-I176 HydrophobicContact CG-CD1 4.37Å; P172-I176 WeakPolarHBondContact O-CG1 3.35Å; P172-I176 PolarHBondContact O-N 2.97Å; P172-I176 VanDerWaalsContact O-N 3.16Å; T173-I176 PolarHBondContact O-N 2.94Å; R174-I176 VanDerWaalsContact C-N 3.3Å; R174-I176 PolarHBondContact O-N 2.84Å; I176-T257 HydrophobicContact CG2-CG2 3.76Å; I176-N258 VanDerWaalsContact CG2-OD1 3.29Å; I176-N258 WeakPolarHBondContact CG2-OD1 3.31Å
177	S	84	Confident	93.6	Very high	22 Å²	22	27.2 Å²	27.2	15%	0.154	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-46	177.7	-158.8	0	0	0	0	113.4	T173 R174 N258 E313	T173-S177 PolarHBondContact O-N 2.96Å; R174-S177 PolarHBondContact O-N 2.86Å; S177-N258 WeakPolarHBondContact CA-ND2 3.31Å; S177-E313 PolarHBondContact OG-OE2 2.92Å
178	A	83.7	Confident	93.4	Very high	68 Å²	68	27.3 Å²	27.3	56%	0.562	17%	0.17	S	C	*	.	H	α-helix	trans	-82.9	-16	-178	0	0	0	0	0	113.7	R174 K180	R174-A178 VanDerWaalsContact O-CB 3.3Å; R174-A178 WeakPolarHBondContact O-CB 3.46Å; R174-A178 PolarHBondContact O-N 3.45Å; A178-K180 PolarHBondContact O-N 2.87Å
179	G	82.9	Confident	93.2	Very high	74 Å²	74	28.2 Å²	28.2	76%	0.763	17%	0.173	S	C	*	.	S	Bend	trans	65.6	12.8	-170.1	0	0	0	0	0	113.9	T175	T175-G179 WeakPolarHBondContact O-CA 3.37Å; T175-G179 PolarHBondContact O-N 3.15Å
180	K	90.7	Very high	92.8	Very high	160 Å²	160	31 Å²	31	70%	0.696	19%	0.191	S	C	*	.	S	Bend	trans	-132.1	133.7	179.3	178.3	-176.9	176.4	-174.9	0	107.9	T175 A178 N182	T175-K180 WeakPolarHBondContact CA-O 3.3Å; T175-K180 PolarHBondContact O-N 2.97Å; A178-K180 PolarHBondContact O-N 2.87Å; K180-N182 PolarHBondContact O-N 3.02Å; K180-N182 VanDerWaalsContact O-N 3.09Å
181	V	94.9	Very high	92.3	Very high	39 Å²	39	40.4 Å²	40.4	24%	0.236	23%	0.232	C	C	.	.			trans	-57.6	118.8	178.1	-176.8	0	0	0	0	110.1	L62 V66 T175 L183	L62-V181 HydrophobicContact CD1-CB 4.37Å; L62-V181 HydrophobicContact CD1-CG1 3.79Å; L62-V181 HydrophobicContact CD1-CG2 4.38Å; L62-V181 HydrophobicContact CD2-CG2 4.35Å; L62-V181 HydrophobicContact CG-CG2 4.45Å; V66-V181 HydrophobicContact CG2-CB 4.47Å; V66-V181 HydrophobicContact CG2-CG1 3.6Å; V66-V181 HydrophobicContact CG2-CG2 3.99Å; T175-V181 HydrophobicContact CG2-CB 4.39Å; T175-V181 HydrophobicContact CG2-CG2 4.15Å; V181-L183 HydrophobicContact CG1-CB 3.93Å
182	N	95.1	Very high	91.7	Very high	50 Å²	50	44.1 Å²	44.1	27%	0.267	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	102.2	173.3	-165.2	-38.3	0	0	0	107.6	C145 D171 R174 T175 K180	C145-N182 PolarHBondContact SG-O 3.03Å; C145-N182 VanDerWaalsContact SG-O 3.41Å; C145-N182 PolarHBondContact SG-OD1 3.45Å; D171-N182 HydrophobicContact CB-CB 4.16Å; D171-N182 PolarHBondContact N-O 3.43Å; R174-N182 HydrophobicContact CB-CB 4.02Å; T175-N182 PolarHBondContact OG1-N 3.01Å; K180-N182 PolarHBondContact O-N 3.02Å; K180-N182 VanDerWaalsContact O-N 3.09Å
183	L	97.1	Very high	91.2	Very high	21 Å²	21	48.2 Å²	48.2	11%	0.11	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	133.6	-174.7	-177	159.7	0	0	0	109	I57 L62 M65 V168 V169 I170 V181 V226	I57-L183 HydrophobicContact CD1-CD1 3.78Å; I57-L183 HydrophobicContact CD1-CD2 3.55Å; I57-L183 HydrophobicContact CD1-CG 4.38Å; L62-L183 HydrophobicContact CD1-CD1 3.74Å; M65-L183 HydrophobicContact CE-CD1 4.2Å; V168-L183 HydrophobicContact CG1-CD1 3.82Å; V168-L183 HydrophobicContact CG1-CD2 3.81Å; V168-L183 HydrophobicContact CG1-CG 3.69Å; V169-L183 CarbonylContact O-C 3.51Å; V169-L183 VanDerWaalsContact O-CA 3.27Å; V169-L183 WeakPolarHBondContact O-CA 3.44Å; I170-L183 HydrophobicContact CD1-CD1 4.03Å; I170-L183 HydrophobicContact CG1-CB 4.39Å; I170-L183 HydrophobicContact CG1-CD1 3.82Å; I170-L183 HydrophobicContact CG1-CG 3.92Å; V181-L183 HydrophobicContact CG1-CB 3.93Å; L183-V226 HydrophobicContact CD2-CG1 4.03Å; L183-V226 HydrophobicContact CD2-CG2 3.96Å
184	G	96.9	Very high	90.7	Very high	11 Å²	11	56.3 Å²	56.3	11%	0.113	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143	170.3	0	0	0	0	0	110.9	V168 V169 F186	V168-G184 CarbonylContact C-O 3.48Å; V168-G184 WeakPolarHBondContact CA-O 3.44Å; V169-G184 PolarHBondContact N-O 3.28Å; V169-G184 PolarHBondContact O-N 3.02Å; G184-F186 VanDerWaalsContact C-CE2 3.43Å
185	A	98.1	Very high	90.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.6	171.9	0	0	0	0	0	108.8	C55 V166 A167 V168 A223 L224 V226	C55-A185 HydrophobicContact CB-CB 3.73Å; V166-A185 HydrophobicContact CG2-CB 4.18Å; A167-A185 CarbonylContact O-C 3.49Å; A167-A185 WeakPolarHBondContact O-CA 3.32Å; V168-A185 HydrophobicContact CG2-CB 4.04Å; A185-A223 CarbonylContact O-C 3.51Å; A185-A223 WeakPolarHBondContact O-CA 3.47Å; A185-L224 HydrophobicContact CB-CB 4.19Å; A185-L224 PolarHBondContact O-N 3.3Å; A185-V226 HydrophobicContact CB-CG2 3.7Å
186	F	97.6	Very high	89.6	Confident	15 Å²	15	60.8 Å²	60.8	7%	0.066	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	150.1	-169.3	-54	-79.2	0	0	0	112	C145 L147 V166 A167 V169 G184 Y221 Y222 A223	C145-F186 HydrophobicContact CB-CE2 4.25Å; C145-F186 HydrophobicContact CB-CZ 4.23Å; C145-F186 VanDerWaalsContact O-CZ 3.28Å; C145-F186 WeakPolarHBondContact O-CZ 3.45Å; L147-F186 HydrophobicContact CD1-CB 3.7Å; L147-F186 HydrophobicContact CD1-CG 4.37Å; L147-F186 HydrophobicContact CD2-CB 4.36Å; L147-F186 HydrophobicContact CD2-CD2 4.05Å; L147-F186 HydrophobicContact CD2-CG 4.46Å; L147-F186 HydrophobicContact CG-CB 3.98Å; L147-F186 HydrophobicContact CG-CD2 4.14Å; L147-F186 HydrophobicContact CG-CG 4.11Å; V166-F186 WeakPolarHBondContact CG2-O 3.07Å; A167-F186 PolarHBondContact N-O 3.21Å; A167-F186 PolarHBondContact O-N 3.44Å; V169-F186 HydrophobicContact CB-CE2 4Å; V169-F186 HydrophobicContact CG2-CD2 3.75Å; V169-F186 HydrophobicContact CG2-CE2 3.62Å; G184-F186 VanDerWaalsContact C-CE2 3.43Å; F186-Y221 HydrophobicContact CB-CD2 4.29Å; F186-Y221 AromaticContact CD1-CD2 3.7Å; F186-Y221 HydrophobicContact CD1-CD2 3.7Å; F186-Y221 AromaticContact CD1-CE2 3.83Å; F186-Y221 HydrophobicContact CD1-CE2 3.83Å; F186-Y221 HydrophobicContact CE1-CD2 4.41Å; F186-Y221 HydrophobicContact CE1-CE2 4.11Å; F186-Y221 HydrophobicContact CG-CD2 4.22Å; F186-Y221 HydrophobicContact CG-CE2 4.48Å; F186-Y222 VanDerWaalsContact CA-O 3.31Å; F186-Y222 WeakPolarHBondContact CA-O 3.13Å; F186-A223 HydrophobicContact CD1-CB 3.96Å; F186-A223 HydrophobicContact CE1-CB 3.85Å
187	R	96.5	Very high	88.7	Confident	8 Å²	8	65.3 Å²	65.3	3%	0.03	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.2	169.7	-73.4	-177	57.1	94.1	15.3	110.2	E163 F165 V166 Y221 Y222 L224	E163-R187 VanDerWaalsContact CD-NH2 3.33Å; E163-R187 IonicContact OE1-CZ 3.56Å; E163-R187 IonicContact OE1-NH1 3.71Å; E163-R187 PolarHBondContact OE1-NH1 2.91Å; E163-R187 IonicContact OE1-NH2 3.81Å; E163-R187 PolarHBondContact OE1-NH2 3.44Å; E163-R187 IonicContact OE2-NH2 3.69Å; E163-R187 PolarHBondContact OE2-NH2 2.82Å; F165-R187 PolarHBondContact O-NH1 2.92Å; V166-R187 HydrophobicContact CG2-CG 4.31Å; R187-Y221 CarbonylContact O-C 3.47Å; R187-Y221 WeakPolarHBondContact O-CA 3.44Å; R187-Y221 WeakPolarHBondContact O-CB 3.3Å; R187-Y222 HydrophobicContact CB-CE1 3.89Å; R187-Y222 HydrophobicContact CB-CE2 4.06Å; R187-Y222 PolarHBondContact N-O 2.83Å; R187-Y222 PolarHBondContact NE-OH 2.97Å; R187-Y222 WeakPolarHBondContact O-CD1 3.44Å; R187-Y222 PolarHBondContact O-N 2.76Å; R187-L224 HydrophobicContact CB-CD1 4.05Å; R187-L224 HydrophobicContact CG-CD1 3.77Å
188	T	94.9	Very high	87.6	Confident	3 Å²	3	71 Å²	71	2%	0.018	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	143.9	-179.2	54	0	0	0	0	111	L147 V152 Q155 M156 Q159 Q220	L147-T188 HydrophobicContact CD1-CG2 4.31Å; V152-T188 HydrophobicContact CB-CG2 4.38Å; V152-T188 HydrophobicContact CG1-CG2 3.94Å; V152-T188 HydrophobicContact CG2-CG2 4.47Å; Q155-T188 HydrophobicContact CB-CG2 3.87Å; Q155-T188 HydrophobicContact CG-CG2 3.68Å; M156-T188 HydrophobicContact CG-CG2 3.98Å; M156-T188 WeakPolarHBondContact CG-OG1 3.28Å; Q159-T188 PolarHBondContact NE2-O 2.92Å; Q159-T188 PolarHBondContact OE1-OG1 2.98Å; T188-Q220 WeakPolarHBondContact CA-O 3.46Å
189	Y	93	Very high	86.2	Confident	19 Å²	19	70.7 Å²	70.7	8%	0.075	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-71.4	152.6	168.9	-65.4	-67.4	0	0	0	111	H49 Y193 P195 Q220 Y222	H49-Y189 HydrophobicContact CB-CD1 4.41Å; Y189-Y193 AromaticContact CD1-CD1 3.43Å; Y189-Y193 HydrophobicContact CD1-CD1 3.43Å; Y189-Y193 VanDerWaalsContact CD1-CD1 3.43Å; Y189-Y193 AromaticContact CD1-CE1 3.48Å; Y189-Y193 HydrophobicContact CD1-CE1 3.48Å; Y189-Y193 VanDerWaalsContact CD1-CE1 3.48Å; Y189-Y193 HydrophobicContact CD2-CD1 4.48Å; Y189-Y193 HydrophobicContact CE1-CD1 4.08Å; Y189-Y193 AromaticContact CE1-CE1 3.66Å; Y189-Y193 HydrophobicContact CE1-CE1 3.66Å; Y189-Y193 AromaticContact CG-CD1 3.66Å; Y189-Y193 HydrophobicContact CG-CD1 3.66Å; Y189-Y193 HydrophobicContact CG-CE1 4.12Å; Y189-P195 HydrophobicContact CD2-CB 4.24Å; Y189-P195 HydrophobicContact CD2-CG 4.4Å; Y189-P195 HydrophobicContact CE1-CB 4.5Å; Y189-P195 HydrophobicContact CE2-CB 3.68Å; Y189-P195 HydrophobicContact CE2-CG 4.12Å; Y189-Q220 PolarHBondContact N-O 3.22Å; Y189-Y222 AromaticContact CD1-CD1 4Å; Y189-Y222 HydrophobicContact CD1-CD1 4Å; Y189-Y222 HydrophobicContact CD1-CE1 4.2Å; Y189-Y222 AromaticContact CE1-CD1 3.49Å; Y189-Y222 HydrophobicContact CE1-CD1 3.49Å; Y189-Y222 VanDerWaalsContact CE1-CD1 3.49Å; Y189-Y222 AromaticContact CE1-CE1 3.94Å; Y189-Y222 HydrophobicContact CE1-CE1 3.94Å; Y189-Y222 HydrophobicContact CE1-CG 4.42Å; Y189-Y222 HydrophobicContact CE2-CD1 4.05Å; Y189-Y222 HydrophobicContact CG-CD1 4.49Å; Y189-Y222 AromaticContact CZ-CD1 3.53Å
190	P	89.4	Confident	84.9	Confident	58 Å²	58	73.7 Å²	73.7	38%	0.377	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-61	151.6	172.6	-23.5	35.1	0	0	0	112.3	G192 Y193	P190-G192 PolarHBondContact O-N 3.17Å; P190-Y193 VanDerWaalsContact O-CB 3.3Å; P190-Y193 WeakPolarHBondContact O-CB 3.43Å; P190-Y193 PolarHBondContact O-N 3.27Å
191	K	85.8	Confident	83.5	Confident	197 Å²	197	70.1 Å²	70.1	86%	0.857	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	124.2	-179.9	-167.1	175	-177.5	175.7	0	110.9	M156	M156-K191 HydrophobicContact CE-CB 3.86Å; M156-K191 HydrophobicContact CE-CG 4.49Å
192	G	83.8	Confident	82.2	Confident	78 Å²	78	76.4 Å²	76.4	80%	0.804	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	-5.7	178.9	0	0	0	0	0	115.1	P190 K194	P190-G192 PolarHBondContact O-N 3.17Å; G192-K194 PolarHBondContact O-N 3.37Å
193	Y	85.3	Confident	81.3	Confident	88 Å²	88	77 Å²	77	35%	0.345	43%	0.43	S	S	.	.			trans	-68.3	131.2	170.6	-177	-102.2	0	0	0	110.2	H49 Y189 P190 P195	H49-Y193 AromaticContact CE1-CD2 3.73Å; H49-Y193 AromaticContact ND1-CD2 3.19Å; H49-Y193 WeakPolarHBondContact ND1-CD2 3.16Å; H49-Y193 AromaticContact ND1-CE2 3.29Å; H49-Y193 VanDerWaalsContact ND1-CE2 3.29Å; H49-Y193 WeakPolarHBondContact ND1-CE2 3.25Å; H49-Y193 AromaticContact ND1-CG 3.79Å; H49-Y193 AromaticContact ND1-CZ 3.95Å; Y189-Y193 AromaticContact CD1-CD1 3.43Å; Y189-Y193 HydrophobicContact CD1-CD1 3.43Å; Y189-Y193 VanDerWaalsContact CD1-CD1 3.43Å; Y189-Y193 AromaticContact CD1-CE1 3.48Å; Y189-Y193 HydrophobicContact CD1-CE1 3.48Å; Y189-Y193 VanDerWaalsContact CD1-CE1 3.48Å; Y189-Y193 HydrophobicContact CD2-CD1 4.48Å; Y189-Y193 HydrophobicContact CE1-CD1 4.08Å; Y189-Y193 AromaticContact CE1-CE1 3.66Å; Y189-Y193 HydrophobicContact CE1-CE1 3.66Å; Y189-Y193 AromaticContact CG-CD1 3.66Å; Y189-Y193 HydrophobicContact CG-CD1 3.66Å; Y189-Y193 HydrophobicContact CG-CE1 4.12Å; P190-Y193 VanDerWaalsContact O-CB 3.3Å; P190-Y193 WeakPolarHBondContact O-CB 3.43Å; P190-Y193 PolarHBondContact O-N 3.27Å; Y193-P195 HydrophobicContact CE1-CB 4.24Å
194	K	82.2	Confident	80.4	Confident	188 Å²	188	79 Å²	79	82%	0.817	44%	0.439	S	S	*	.			trans	-98.1	110.3	171.2	-70.5	-175.4	179.3	-178.4	0	107.6	G192	G192-K194 PolarHBondContact O-N 3.37Å
195	P	81.9	Confident	79.7	Confident	38 Å²	38	79.2 Å²	79.2	25%	0.247	44%	0.438	C	S	.	.			trans	-61.8	154.5	174.5	28	-34.6	0	0	0	110.3	Y189 Y193	Y189-P195 HydrophobicContact CD2-CB 4.24Å; Y189-P195 HydrophobicContact CD2-CG 4.4Å; Y189-P195 HydrophobicContact CE1-CB 4.5Å; Y189-P195 HydrophobicContact CE2-CB 3.68Å; Y189-P195 HydrophobicContact CE2-CG 4.12Å; Y193-P195 HydrophobicContact CE1-CB 4.24Å
196	P	79.4	Confident	79.2	Confident	84 Å²	84	79.4 Å²	79.4	55%	0.545	44%	0.439	S	S	.	.			trans	-51.4	144.5	166.3	-20.3	31.7	0	0	0	109.6	E198	P196-E198 PolarHBondContact O-N 3.06Å
197	D	69.7	Low	78.7	Confident	151 Å²	151	79.8 Å²	79.8	81%	0.807	44%	0.443	S	S	*	.			trans	-67.6	83.8	168.9	-86.4	-37.4	0	0	0	108.1	K219	D197-K219 IonicContact OD1-NZ 3.9Å
198	E	61.2	Low	78.2	Confident	142 Å²	142	80.5 Å²	80.5	66%	0.664	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-66.9	149.6	162.6	-69.8	-174.1	-178.2	0	0	108.6	P196	P196-E198 PolarHBondContact O-N 3.06Å
199	G	54.8	Low	77.8	Confident	61 Å²	61	86.2 Å²	86.2	63%	0.629	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-55.1	172.7	-178.6	0	0	0	0	0	113	S201	G199-S201 PolarHBondContact O-N 2.88Å
200	P	54.3	Low	77.5	Confident	137 Å²	137	86 Å²	86	89%	0.89	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-53.9	122.8	179.4	22.4	-31.6	0	0	0	109.8
201	S	62	Low	77.3	Confident	85 Å²	85	86.5 Å²	86.5	59%	0.594	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-50.2	143.5	174.1	-171.7	0	0	0	0	109.7	G199 Y203	G199-S201 PolarHBondContact O-N 2.88Å; S201-Y203 PolarHBondContact O-N 3.45Å
202	E	68	Low	77.3	Confident	171 Å²	171	84.8 Å²	84.8	80%	0.799	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-51.2	130.8	176.3	-172.6	177.9	-178.5	0	0	109.4	Q204	E202-Q204 PolarHBondContact O-N 3.16Å
203	Y	76.1	Confident	77.4	Confident	62 Å²	62	83.4 Å²	83.4	24%	0.243	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-64.5	116.1	-178.2	177.7	-107.7	0	0	0	109.8	S201 K302 R305 D306	S201-Y203 PolarHBondContact O-N 3.45Å; Y203-K302 HydrophobicContact CD2-CD 4.01Å; Y203-K302 HydrophobicContact CD2-CG 3.77Å; Y203-K302 HydrophobicContact CE1-CB 4.18Å; Y203-K302 HydrophobicContact CE1-CG 4.24Å; Y203-K302 HydrophobicContact CE2-CB 3.83Å; Y203-K302 HydrophobicContact CE2-CD 3.6Å; Y203-K302 HydrophobicContact CE2-CG 3.42Å; Y203-K302 VanDerWaalsContact CE2-CG 3.42Å; Y203-K302 HydrophobicContact CG-CG 4.33Å; Y203-K302 WeakPolarHBondContact OH-CB 3.24Å; Y203-R305 HydrophobicContact CD1-CB 4.35Å; Y203-R305 HydrophobicContact CE1-CB 4.18Å; Y203-D306 WeakPolarHBondContact CE1-OD1 3.33Å; Y203-D306 PolarHBondContact OH-OD1 3.38Å; Y203-D306 PolarHBondContact OH-OD2 3.48Å; Y203-D306 VanDerWaalsContact OH-OD2 3.05Å
204	Q	77.9	Confident	77.5	Confident	64 Å²	64	80.9 Å²	80.9	30%	0.299	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-103	134.3	172.9	-61.6	-174.9	53.7	0	0	109.2	E202 I206	E202-Q204 PolarHBondContact O-N 3.16Å; Q204-I206 HydrophobicContact CB-CD1 4.34Å; Q204-I206 HydrophobicContact CB-CG1 4.1Å; Q204-I206 PolarHBondContact O-N 2.91Å
205	T	82.1	Confident	77.6	Confident	15 Å²	15	74.2 Å²	74.2	9%	0.092	42%	0.421	C	S	.	.			trans	-62.2	105.7	165.6	-52.4	0	0	0	0	107.5	R174 D306	R174-T205 PolarHBondContact NH1-O 3.02Å; R174-T205 PolarHBondContact NH2-O 2.77Å; T205-D306 VanDerWaalsContact CB-OD1 3.25Å; T205-D306 WeakPolarHBondContact CB-OD1 3.32Å; T205-D306 HydrophobicContact CG2-CB 4.44Å; T205-D306 VanDerWaalsContact CG2-OD1 3.25Å; T205-D306 WeakPolarHBondContact CG2-OD1 3.49Å; T205-D306 PolarHBondContact OG1-OD1 2.88Å
206	I	87.9	Confident	77.8	Confident	4 Å²	4	77 Å²	77	2%	0.021	44%	0.437	C	S	.	.			trans	-116.5	135.9	174	-62.4	174.8	0	0	0	106.7	Q204 K210 F214 K272	Q204-I206 HydrophobicContact CB-CD1 4.34Å; Q204-I206 HydrophobicContact CB-CG1 4.1Å; Q204-I206 PolarHBondContact O-N 2.91Å; I206-K210 HydrophobicContact CG2-CB 3.8Å; I206-F214 HydrophobicContact CD1-CB 3.83Å; I206-F214 HydrophobicContact CD1-CD1 3.32Å; I206-F214 HydrophobicContact CD1-CD2 3.55Å; I206-F214 HydrophobicContact CD1-CE1 3.65Å; I206-F214 HydrophobicContact CD1-CE2 3.87Å; I206-F214 HydrophobicContact CD1-CG 3.25Å; I206-F214 HydrophobicContact CD1-CZ 3.91Å; I206-K272 PolarHBondContact O-NZ 3.15Å
207	P	87.1	Confident	78.2	Confident	23 Å²	23	74.9 Å²	74.9	15%	0.149	42%	0.42	C	S	.	.			trans	-56.8	146.4	175	-27.2	37	0	0	0	112.4	Y143 N209 K210 I211 D268	Y143-P207 HydrophobicContact CD1-CG 4.01Å; P207-N209 VanDerWaalsContact C-N 3.3Å; P207-N209 WeakPolarHBondContact CB-OD1 3.02Å; P207-N209 PolarHBondContact O-N 3.45Å; P207-K210 PolarHBondContact O-N 3.23Å; P207-I211 PolarHBondContact O-N 3.3Å; P207-I211 VanDerWaalsContact O-N 3.09Å; P207-D268 WeakPolarHBondContact CA-OD1 3.19Å
208	L	85.5	Confident	79	Confident	22 Å²	22	69.5 Å²	69.5	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-56.5	-41.2	-177.6	-83.9	175.8	0	0	0	113.3	K210 I211 D268 E271 K272	L208-K210 PolarHBondContact O-N 3.35Å; L208-K210 VanDerWaalsContact O-N 3.07Å; L208-I211 VanDerWaalsContact O-CG2 3.28Å; L208-I211 WeakPolarHBondContact O-CG2 3.46Å; L208-I211 PolarHBondContact O-N 2.87Å; L208-D268 PolarHBondContact N-OD1 2.81Å; L208-E271 HydrophobicContact CD1-CB 3.36Å; L208-K272 HydrophobicContact CD1-CB 4.43Å; L208-K272 HydrophobicContact CD1-CG 3.69Å; L208-K272 HydrophobicContact CD2-CD 4.48Å; L208-K272 HydrophobicContact CD2-CG 3.58Å; L208-K272 HydrophobicContact CG-CD 4.33Å; L208-K272 HydrophobicContact CG-CG 3.55Å
209	N	86.3	Confident	80.3	Confident	123 Å²	123	69.3 Å²	69.3	66%	0.658	39%	0.39	S	S	*	.	H	α-helix	trans	-65.5	-10.1	178.6	66.6	-32.9	0	0	0	113.6	P207	P207-N209 VanDerWaalsContact C-N 3.3Å; P207-N209 WeakPolarHBondContact CB-OD1 3.02Å; P207-N209 PolarHBondContact O-N 3.45Å
210	K	87.5	Confident	82	Confident	14 Å²	14	70 Å²	70	6%	0.061	38%	0.377	C	S	.	.	H	α-helix	trans	-115.8	-12.6	-179.4	-65.3	-56.2	-156.3	161.8	0	114	E104 W146 I206 P207 L208 E212 D213 F214	E104-K210 VanDerWaalsContact CG-NZ 3.33Å; E104-K210 WeakPolarHBondContact OE1-CE 3.32Å; E104-K210 IonicContact OE1-NZ 3.61Å; E104-K210 PolarHBondContact OE1-NZ 2.69Å; W146-K210 HydrophobicContact CH2-CB 4.14Å; W146-K210 HydrophobicContact CH2-CD 4.41Å; W146-K210 HydrophobicContact CZ2-CB 3.76Å; W146-K210 HydrophobicContact CZ2-CD 4.32Å; W146-K210 HydrophobicContact CZ2-CG 4.17Å; I206-K210 HydrophobicContact CG2-CB 3.8Å; P207-K210 PolarHBondContact O-N 3.23Å; L208-K210 PolarHBondContact O-N 3.35Å; L208-K210 VanDerWaalsContact O-N 3.07Å; K210-E212 VanDerWaalsContact C-N 3.28Å; K210-E212 PolarHBondContact O-N 3.06Å; K210-D213 PolarHBondContact O-N 3.15Å; K210-F214 PolarHBondContact O-N 3.31Å; K210-F214 VanDerWaalsContact O-N 3.1Å
211	I	84.4	Confident	83.9	Confident	69 Å²	69	64.4 Å²	64.4	35%	0.354	34%	0.338	S	S	.	.	H	α-helix	trans	-65	-32.3	-170.5	-158	170.4	0	0	0	113	P207 L208 G215	P207-I211 PolarHBondContact O-N 3.3Å; P207-I211 VanDerWaalsContact O-N 3.09Å; L208-I211 VanDerWaalsContact O-CG2 3.28Å; L208-I211 WeakPolarHBondContact O-CG2 3.46Å; L208-I211 PolarHBondContact O-N 2.87Å; I211-G215 PolarHBondContact O-N 2.88Å
212	E	85.9	Confident	85.5	Confident	161 Å²	161	61 Å²	61	75%	0.752	31%	0.312	S	S	*	.	H	α-helix	trans	-68.6	-48.8	178.6	-64.3	-171.7	168.3	0	0	111.4	K210 F214 G215 V216	K210-E212 VanDerWaalsContact C-N 3.28Å; K210-E212 PolarHBondContact O-N 3.06Å; E212-F214 PolarHBondContact O-N 2.81Å; E212-G215 PolarHBondContact O-N 2.92Å; E212-G215 VanDerWaalsContact O-N 3.15Å; E212-V216 WeakPolarHBondContact O-CG2 3.34Å; E212-V216 PolarHBondContact O-N 2.89Å
213	D	86.1	Confident	86.7	Confident	50 Å²	50	55.9 Å²	55.9	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-46.9	178	-175.1	29	0	0	0	111	W146 S148 G149 K210 G215 V216 H217	W146-D213 HydrophobicContact CH2-CB 4.23Å; W146-D213 HydrophobicContact CZ3-CB 4.29Å; S148-D213 WeakPolarHBondContact CA-OD2 3.44Å; S148-D213 WeakPolarHBondContact CB-OD2 3.27Å; G149-D213 PolarHBondContact N-OD1 2.96Å; G149-D213 VanDerWaalsContact N-OD1 3.07Å; K210-D213 PolarHBondContact O-N 3.15Å; D213-G215 PolarHBondContact O-N 2.9Å; D213-V216 PolarHBondContact O-N 2.88Å; D213-H217 PolarHBondContact O-CD2 3.04Å; D213-H217 VanDerWaalsContact O-CD2 3.29Å; D213-H217 PolarHBondContact O-N 2.82Å; D213-H217 IonicContact OD1-CD2 2.81Å; D213-H217 PolarHBondContact OD1-CD2 3.41Å; D213-H217 IonicContact OD1-NE2 2.96Å
214	F	87	Confident	87.7	Confident	34 Å²	34	53.3 Å²	53.3	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-56.3	-49.1	172.2	174.9	-103.2	0	0	0	112.2	W146 I206 K210 E212 V216 H217 C218	W146-F214 HydrophobicContact CB-CD2 3.66Å; W146-F214 HydrophobicContact CB-CE2 3.76Å; W146-F214 HydrophobicContact CD2-CB 4.17Å; W146-F214 AromaticContact CD2-CD2 3.77Å; W146-F214 HydrophobicContact CD2-CD2 3.77Å; W146-F214 HydrophobicContact CD2-CG 4.42Å; W146-F214 HydrophobicContact CE3-CB 3.82Å; W146-F214 AromaticContact CE3-CD2 3.77Å; W146-F214 HydrophobicContact CE3-CD2 3.77Å; W146-F214 HydrophobicContact CE3-CG 4.31Å; W146-F214 AromaticContact CG-CD2 3.71Å; W146-F214 HydrophobicContact CG-CD2 3.71Å; W146-F214 HydrophobicContact CG-CE2 4.24Å; W146-F214 HydrophobicContact CH2-CB 4.38Å; W146-F214 HydrophobicContact CZ3-CB 3.91Å; I206-F214 HydrophobicContact CD1-CB 3.83Å; I206-F214 HydrophobicContact CD1-CD1 3.32Å; I206-F214 HydrophobicContact CD1-CD2 3.55Å; I206-F214 HydrophobicContact CD1-CE1 3.65Å; I206-F214 HydrophobicContact CD1-CE2 3.87Å; I206-F214 HydrophobicContact CD1-CG 3.25Å; I206-F214 HydrophobicContact CD1-CZ 3.91Å; K210-F214 PolarHBondContact O-N 3.31Å; K210-F214 VanDerWaalsContact O-N 3.1Å; E212-F214 PolarHBondContact O-N 2.81Å; F214-V216 VanDerWaalsContact C-N 3.29Å; F214-V216 PolarHBondContact O-N 3.19Å; F214-H217 PolarHBondContact O-N 2.88Å; F214-C218 HydrophobicContact CD2-CB 4.19Å; F214-C218 HydrophobicContact CE1-CB 4.25Å; F214-C218 HydrophobicContact CE2-CB 3.84Å; F214-C218 HydrophobicContact CZ-CB 3.88Å; F214-C218 WeakPolarHBondContact O-CB 3.32Å; F214-C218 PolarHBondContact O-N 3.11Å
215	G	85.1	Confident	88.7	Confident	48 Å²	48	56.3 Å²	56.3	50%	0.495	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-31.5	-176.4	0	0	0	0	0	114.2	I211 E212 D213	I211-G215 PolarHBondContact O-N 2.88Å; E212-G215 PolarHBondContact O-N 2.92Å; E212-G215 VanDerWaalsContact O-N 3.15Å; D213-G215 PolarHBondContact O-N 2.9Å
216	V	86	Confident	89.4	Confident	98 Å²	98	57.4 Å²	57.4	59%	0.594	31%	0.31	S	S	*	.	H	α-helix	trans	-78.4	-36	178.7	174.3	0	0	0	0	111.8	E212 D213 F214	E212-V216 WeakPolarHBondContact O-CG2 3.34Å; E212-V216 PolarHBondContact O-N 2.89Å; D213-V216 PolarHBondContact O-N 2.88Å; F214-V216 VanDerWaalsContact C-N 3.29Å; F214-V216 PolarHBondContact O-N 3.19Å
217	H	88	Confident	89.9	Confident	39 Å²	39	59.2 Å²	59.2	18%	0.181	32%	0.324	C	S	.	.	H	α-helix	trans	-104.7	-15.1	-168.9	-67.5	-73.8	0	0	0	114.9	G149 V152 D213 F214 K219 Q220 Y221	G149-H217 VanDerWaalsContact CA-CD2 3.49Å; G149-H217 WeakPolarHBondContact CA-CD2 3.33Å; V152-H217 HydrophobicContact CG2-CB 4.34Å; D213-H217 PolarHBondContact O-CD2 3.04Å; D213-H217 VanDerWaalsContact O-CD2 3.29Å; D213-H217 PolarHBondContact O-N 2.82Å; D213-H217 IonicContact OD1-CD2 2.81Å; D213-H217 PolarHBondContact OD1-CD2 3.41Å; D213-H217 IonicContact OD1-NE2 2.96Å; F214-H217 PolarHBondContact O-N 2.88Å; H217-K219 PolarHBondContact O-N 3.1Å; H217-Q220 PolarHBondContact ND1-NE2 3.3Å; H217-Q220 VanDerWaalsContact ND1-NE2 3.17Å; H217-Q220 PolarHBondContact ND1-OE1 2.94Å; H217-Q220 WeakPolarHBondContact O-CB 3.45Å; H217-Q220 PolarHBondContact O-N 2.94Å; H217-Y221 WeakPolarHBondContact O-CD1 3.36Å; H217-Y221 VanDerWaalsContact O-CE1 3.27Å; H217-Y221 WeakPolarHBondContact O-CE1 3.35Å
218	C	86.1	Confident	90.3	Very high	37 Å²	37	63.1 Å²	63.1	25%	0.25	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.1	-24	-175.1	65.3	0	0	0	0	115.1	F214 Q220	F214-C218 HydrophobicContact CD2-CB 4.19Å; F214-C218 HydrophobicContact CE1-CB 4.25Å; F214-C218 HydrophobicContact CE2-CB 3.84Å; F214-C218 HydrophobicContact CZ-CB 3.88Å; F214-C218 WeakPolarHBondContact O-CB 3.32Å; F214-C218 PolarHBondContact O-N 3.11Å; C218-Q220 VanDerWaalsContact C-N 3.34Å
219	K	88.9	Confident	90.8	Very high	139 Å²	139	63.5 Å²	63.5	60%	0.604	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-84.4	-2.3	176.2	-62.9	-167.1	174.7	-161.2	0	114.2	D197 H217	D197-K219 IonicContact OD1-NZ 3.9Å; H217-K219 PolarHBondContact O-N 3.1Å
220	Q	91	Very high	91.2	Very high	75 Å²	75	62.4 Å²	62.4	35%	0.35	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-93.3	-7.1	-175.9	-57.9	-178	20.9	0	0	112.8	V152 T188 Y189 H217 C218	V152-Q220 HydrophobicContact CG1-CB 4.03Å; T188-Q220 WeakPolarHBondContact CA-O 3.46Å; Y189-Q220 PolarHBondContact N-O 3.22Å; H217-Q220 PolarHBondContact ND1-NE2 3.3Å; H217-Q220 VanDerWaalsContact ND1-NE2 3.17Å; H217-Q220 PolarHBondContact ND1-OE1 2.94Å; H217-Q220 WeakPolarHBondContact O-CB 3.45Å; H217-Q220 PolarHBondContact O-N 2.94Å; C218-Q220 VanDerWaalsContact C-N 3.34Å
221	Y	93.8	Very high	91.5	Very high	19 Å²	19	62.4 Å²	62.4	8%	0.075	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	166.7	179.9	58.8	-92.1	0	0	0	110.9	W146 L147 V152 F186 R187 H217	W146-Y221 WeakPolarHBondContact CB-OH 3.49Å; L147-Y221 HydrophobicContact CB-CD1 3.91Å; L147-Y221 HydrophobicContact CB-CE1 3.69Å; L147-Y221 HydrophobicContact CB-CG 4.4Å; L147-Y221 HydrophobicContact CD1-CD1 4.12Å; L147-Y221 HydrophobicContact CD1-CD2 4.32Å; L147-Y221 HydrophobicContact CD1-CG 3.92Å; L147-Y221 HydrophobicContact CG-CD1 4.35Å; L147-Y221 HydrophobicContact CG-CD2 4.41Å; L147-Y221 HydrophobicContact CG-CE1 4.41Å; L147-Y221 HydrophobicContact CG-CE2 4.49Å; L147-Y221 HydrophobicContact CG-CG 4.34Å; L147-Y221 PolarHBondContact N-OH 3.03Å; L147-Y221 WeakPolarHBondContact O-CE1 3.21Å; V152-Y221 HydrophobicContact CG2-CD1 3.62Å; V152-Y221 HydrophobicContact CG2-CE1 4.04Å; F186-Y221 HydrophobicContact CB-CD2 4.29Å; F186-Y221 AromaticContact CD1-CD2 3.7Å; F186-Y221 HydrophobicContact CD1-CD2 3.7Å; F186-Y221 AromaticContact CD1-CE2 3.83Å; F186-Y221 HydrophobicContact CD1-CE2 3.83Å; F186-Y221 HydrophobicContact CE1-CD2 4.41Å; F186-Y221 HydrophobicContact CE1-CE2 4.11Å; F186-Y221 HydrophobicContact CG-CD2 4.22Å; F186-Y221 HydrophobicContact CG-CE2 4.48Å; R187-Y221 CarbonylContact O-C 3.47Å; R187-Y221 WeakPolarHBondContact O-CA 3.44Å; R187-Y221 WeakPolarHBondContact O-CB 3.3Å; H217-Y221 WeakPolarHBondContact O-CD1 3.36Å; H217-Y221 VanDerWaalsContact O-CE1 3.27Å; H217-Y221 WeakPolarHBondContact O-CE1 3.35Å
222	Y	94.1	Very high	91.9	Very high	13 Å²	13	61.2 Å²	61.2	5%	0.051	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.5	172.2	61.9	-88.5	0	0	0	110.3	H49 H50 F52 F186 R187 Y189 L224	H49-Y222 VanDerWaalsContact O-CE1 3.32Å; H49-Y222 WeakPolarHBondContact O-CE1 3.34Å; H49-Y222 PolarHBondContact O-OH 2.88Å; H50-Y222 AromaticContact CE1-CD2 3.24Å; H50-Y222 WeakPolarHBondContact CE1-CD2 3.35Å; H50-Y222 AromaticContact CE1-CE2 3.75Å; H50-Y222 AromaticContact CE1-CG 3.62Å; H50-Y222 AromaticContact ND1-CD1 3.8Å; H50-Y222 AromaticContact ND1-CD2 3.31Å; H50-Y222 VanDerWaalsContact ND1-CD2 3.31Å; H50-Y222 WeakPolarHBondContact ND1-CD2 3.41Å; H50-Y222 AromaticContact ND1-CE1 3.97Å; H50-Y222 AromaticContact ND1-CE2 3.53Å; H50-Y222 AromaticContact ND1-CG 3.44Å; H50-Y222 AromaticContact ND1-CZ 3.84Å; F52-Y222 VanDerWaalsContact O-CE2 3.31Å; F52-Y222 WeakPolarHBondContact O-CE2 3.42Å; F186-Y222 VanDerWaalsContact CA-O 3.31Å; F186-Y222 WeakPolarHBondContact CA-O 3.13Å; R187-Y222 HydrophobicContact CB-CE1 3.89Å; R187-Y222 HydrophobicContact CB-CE2 4.06Å; R187-Y222 PolarHBondContact N-O 2.83Å; R187-Y222 PolarHBondContact NE-OH 2.97Å; R187-Y222 WeakPolarHBondContact O-CD1 3.44Å; R187-Y222 PolarHBondContact O-N 2.76Å; Y189-Y222 AromaticContact CD1-CD1 4Å; Y189-Y222 HydrophobicContact CD1-CD1 4Å; Y189-Y222 HydrophobicContact CD1-CE1 4.2Å; Y189-Y222 AromaticContact CE1-CD1 3.49Å; Y189-Y222 HydrophobicContact CE1-CD1 3.49Å; Y189-Y222 VanDerWaalsContact CE1-CD1 3.49Å; Y189-Y222 AromaticContact CE1-CE1 3.94Å; Y189-Y222 HydrophobicContact CE1-CE1 3.94Å; Y189-Y222 HydrophobicContact CE1-CG 4.42Å; Y189-Y222 HydrophobicContact CE2-CD1 4.05Å; Y189-Y222 HydrophobicContact CG-CD1 4.49Å; Y189-Y222 AromaticContact CZ-CD1 3.53Å; Y222-L224 HydrophobicContact CD2-CD1 3.9Å; Y222-L224 HydrophobicContact CE2-CD1 3.58Å; Y222-L224 HydrophobicContact CE2-CG 4.4Å
223	A	94.9	Very high	92.1	Very high	64 Å²	64	58.6 Å²	58.6	53%	0.529	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.2	176.2	0	0	0	0	0	110.8	A185 F186	A185-A223 CarbonylContact O-C 3.51Å; A185-A223 WeakPolarHBondContact O-CA 3.47Å; F186-A223 HydrophobicContact CD1-CB 3.96Å; F186-A223 HydrophobicContact CE1-CB 3.85Å
224	L	96.8	Very high	92.5	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.2	169.2	-76.8	67.6	0	0	0	108.5	F52 K53 C55 M90 V166 A185 R187 Y222 V226	F52-L224 HydrophobicContact CB-CD2 4.18Å; K53-L224 CarbonylContact O-C 3.52Å; K53-L224 WeakPolarHBondContact O-CA 3.21Å; C55-L224 HydrophobicContact CB-CB 4.01Å; C55-L224 HydrophobicContact CB-CD2 4.18Å; M90-L224 HydrophobicContact CG-CD2 4.49Å; M90-L224 HydrophobicContact SD-CD2 4.34Å; V166-L224 HydrophobicContact CG2-CD2 4.32Å; A185-L224 HydrophobicContact CB-CB 4.19Å; A185-L224 PolarHBondContact O-N 3.3Å; R187-L224 HydrophobicContact CB-CD1 4.05Å; R187-L224 HydrophobicContact CG-CD1 3.77Å; Y222-L224 HydrophobicContact CD2-CD1 3.9Å; Y222-L224 HydrophobicContact CE2-CD1 3.58Å; Y222-L224 HydrophobicContact CE2-CG 4.4Å; L224-V226 PolarHBondContact O-N 3.4Å
225	E	97.5	Very high	92.7	Very high	128 Å²	128	61 Å²	61	60%	0.598	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	116.6	173.3	-176.8	-176.7	154.3	0	0	109.7	K53 Y54 C55	K53-E225 PolarHBondContact O-N 2.96Å; Y54-E225 WeakPolarHBondContact CA-O 3.48Å; Y54-E225 HydrophobicContact CD1-CB 3.93Å; Y54-E225 HydrophobicContact CD1-CG 4.46Å; Y54-E225 HydrophobicContact CE1-CB 4.4Å; C55-E225 PolarHBondContact N-O 3.25Å
226	V	97.8	Very high	93.1	Very high	37 Å²	37	64.5 Å²	64.5	22%	0.224	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.6	-177.8	-179.7	0	0	0	0	110.6	C55 I57 L183 A185 L224 Y228	C55-V226 HydrophobicContact CB-CG2 4.4Å; C55-V226 CarbonylContact O-C 3.55Å; C55-V226 VanDerWaalsContact O-CA 3.32Å; C55-V226 WeakPolarHBondContact O-CA 3.04Å; I57-V226 HydrophobicContact CD1-CG1 3.85Å; I57-V226 HydrophobicContact CG1-CG1 4.27Å; L183-V226 HydrophobicContact CD2-CG1 4.03Å; L183-V226 HydrophobicContact CD2-CG2 3.96Å; A185-V226 HydrophobicContact CB-CG2 3.7Å; L224-V226 PolarHBondContact O-N 3.4Å; V226-Y228 HydrophobicContact CG1-CE1 3.83Å; V226-Y228 HydrophobicContact CG1-CE2 4.31Å
227	S	97.9	Very high	93.5	Very high	43 Å²	43	63.9 Å²	63.9	30%	0.301	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	158.5	169.1	55.7	0	0	0	0	111.2	C55 K56 I57	C55-S227 PolarHBondContact O-N 2.83Å; K56-S227 CarbonylContact C-O 3.57Å; K56-S227 WeakPolarHBondContact CA-O 3.19Å; K56-S227 VanDerWaalsContact CG-OG 3.28Å; K56-S227 WeakPolarHBondContact CG-OG 3.4Å; I57-S227 PolarHBondContact N-O 2.78Å
228	Y	96.6	Very high	93.6	Very high	104 Å²	104	65 Å²	65	41%	0.408	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.6	-174.4	-53.9	-74.7	0	0	0	111.2	I57 L62 V226	I57-Y228 HydrophobicContact CB-CD1 3.97Å; I57-Y228 HydrophobicContact CB-CE1 4.21Å; I57-Y228 HydrophobicContact CD1-CE1 4.33Å; I57-Y228 WeakPolarHBondContact O-CA 3.11Å; L62-Y228 HydrophobicContact CD1-CD1 4.21Å; L62-Y228 HydrophobicContact CD1-CE1 3.55Å; L62-Y228 HydrophobicContact CD2-CD1 3.66Å; L62-Y228 HydrophobicContact CD2-CE1 3.71Å; L62-Y228 HydrophobicContact CD2-CG 4.31Å; L62-Y228 HydrophobicContact CG-CD1 4.37Å; L62-Y228 HydrophobicContact CG-CE1 4.17Å; V226-Y228 HydrophobicContact CG1-CE1 3.83Å; V226-Y228 HydrophobicContact CG1-CE2 4.31Å
229	F	95.9	Very high	94	Very high	30 Å²	30	68.2 Å²	68.2	13%	0.132	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.9	175.4	67.1	-83.3	0	0	0	111.1	I28 Y29 K56 I57 S58 A59 I91 M93	I28-F229 HydrophobicContact CD1-CD1 3.96Å; I28-F229 HydrophobicContact CD1-CD2 3.99Å; I28-F229 HydrophobicContact CD1-CE1 3.99Å; I28-F229 HydrophobicContact CD1-CE2 4.02Å; I28-F229 HydrophobicContact CD1-CG 3.95Å; I28-F229 HydrophobicContact CD1-CZ 4.02Å; I28-F229 HydrophobicContact CG1-CE2 4.23Å; I28-F229 HydrophobicContact CG1-CZ 4.39Å; I28-F229 HydrophobicContact CG2-CD2 3.6Å; I28-F229 HydrophobicContact CG2-CE2 3.7Å; I28-F229 HydrophobicContact CG2-CG 4.46Å; Y29-F229 HydrophobicContact CD2-CE2 4.43Å; Y29-F229 HydrophobicContact CE1-CE2 4.07Å; Y29-F229 AromaticContact CE2-CD2 3.76Å; Y29-F229 HydrophobicContact CE2-CD2 3.76Å; Y29-F229 AromaticContact CE2-CE2 3.73Å; Y29-F229 HydrophobicContact CE2-CE2 3.73Å; Y29-F229 AromaticContact CZ-CD2 3.78Å; Y29-F229 AromaticContact CZ-CE2 3.52Å; K56-F229 HydrophobicContact CB-CD1 3.92Å; K56-F229 HydrophobicContact CB-CE1 3.87Å; I57-F229 VanDerWaalsContact C-CE1 3.41Å; I57-F229 WeakPolarHBondContact O-CD1 3.31Å; I57-F229 PolarHBondContact O-N 3.38Å; I57-F229 VanDerWaalsContact O-N 3.11Å; S58-F229 CarbonylContact C-O 3.35Å; S58-F229 WeakPolarHBondContact CA-O 3.42Å; S58-F229 VanDerWaalsContact N-CE1 3.28Å; A59-F229 PolarHBondContact N-O 3.43Å; I91-F229 HydrophobicContact CG2-CE1 3.78Å; I91-F229 HydrophobicContact CG2-CZ 3.72Å; M93-F229 HydrophobicContact CE-CE2 4.23Å; M93-F229 HydrophobicContact CE-CZ 4.33Å; M93-F229 HydrophobicContact SD-CE2 4.14Å; M93-F229 HydrophobicContact SD-CZ 3.69Å
230	K	94.5	Very high	94.2	Very high	101 Å²	101	67.1 Å²	67.1	44%	0.439	34%	0.335	S	S	.	.			trans	-145.6	146	178	64.1	-177.9	176.4	-176	0	109.8	Y29 A59 D234 R235 L238	Y29-K230 WeakPolarHBondContact OH-CA 3.47Å; A59-K230 HydrophobicContact CB-CB 3.82Å; K230-D234 HydrophobicContact CB-CB 3.97Å; K230-R235 HydrophobicContact CD-CB 4.44Å; K230-L238 HydrophobicContact CD-CD1 3.86Å
231	S	93.2	Very high	94.1	Very high	14 Å²	14	67 Å²	67	10%	0.098	34%	0.337	C	S	.	.			trans	-74.2	167.5	176.3	63.6	0	0	0	0	111.8	D26 Y29 L233 D234 R235	D26-S231 WeakPolarHBondContact OD1-CA 3.42Å; D26-S231 WeakPolarHBondContact OD1-CB 3.46Å; Y29-S231 PolarHBondContact OH-N 3.27Å; S231-L233 PolarHBondContact O-N 2.99Å; S231-D234 PolarHBondContact N-OD2 2.99Å; S231-D234 VanDerWaalsContact N-OD2 3.14Å; S231-D234 PolarHBondContact O-N 3.43Å; S231-D234 WeakPolarHBondContact OG-CB 3.02Å; S231-D234 PolarHBondContact OG-N 2.82Å; S231-D234 PolarHBondContact OG-OD2 3.4Å; S231-R235 WeakPolarHBondContact O-CB 3.38Å; S231-R235 PolarHBondContact O-N 3.25Å
232	S	92.4	Very high	93.9	Very high	43 Å²	43	74.1 Å²	74.1	30%	0.301	36%	0.364	S	S	.	.	H	α-helix	trans	-58.2	-33.3	170.3	69.1	0	0	0	0	112.5	D26 K236	D26-S232 PolarHBondContact OD1-N 3.26Å; D26-S232 VanDerWaalsContact OD2-CB 3.3Å; D26-S232 WeakPolarHBondContact OD2-CB 3.33Å; D26-S232 PolarHBondContact OD2-OG 2.98Å; S232-K236 PolarHBondContact O-N 2.92Å
233	L	91.6	Very high	93.6	Very high	106 Å²	106	78.2 Å²	78.2	56%	0.555	39%	0.387	S	S	*	.	H	α-helix	trans	-73.6	-48.8	174.6	179.8	61.8	0	0	0	111.5	S231 R235 K236 L237	S231-L233 PolarHBondContact O-N 2.99Å; L233-R235 PolarHBondContact O-N 2.83Å; L233-K236 WeakPolarHBondContact O-CB 3.41Å; L233-K236 PolarHBondContact O-N 3.26Å; L233-L237 HydrophobicContact CD1-CG 4.44Å; L233-L237 HydrophobicContact CG-CD1 4.13Å; L233-L237 HydrophobicContact CG-CG 4.43Å; L233-L237 WeakPolarHBondContact O-CG 3.49Å; L233-L237 PolarHBondContact O-N 2.78Å
234	D	92.8	Very high	93.4	Very high	25 Å²	25	82 Å²	82	13%	0.134	39%	0.391	C	S	.	.	H	α-helix	trans	-56.8	-37.9	177	-66.9	-36.1	0	0	0	110.8	Y29 K230 S231 K236 L237 L238	Y29-D234 PolarHBondContact OH-OD2 3.14Å; Y29-D234 VanDerWaalsContact OH-OD2 3.08Å; K230-D234 HydrophobicContact CB-CB 3.97Å; S231-D234 PolarHBondContact N-OD2 2.99Å; S231-D234 VanDerWaalsContact N-OD2 3.14Å; S231-D234 PolarHBondContact O-N 3.43Å; S231-D234 WeakPolarHBondContact OG-CB 3.02Å; S231-D234 PolarHBondContact OG-N 2.82Å; S231-D234 PolarHBondContact OG-OD2 3.4Å; D234-K236 PolarHBondContact O-N 3.36Å; D234-L237 PolarHBondContact O-N 3.32Å; D234-L238 VanDerWaalsContact O-CB 3.31Å; D234-L238 WeakPolarHBondContact O-CB 3.42Å; D234-L238 WeakPolarHBondContact O-CG 3.27Å; D234-L238 PolarHBondContact O-N 2.84Å
235	R	92.7	Very high	93.1	Very high	111 Å²	111	86.5 Å²	86.5	42%	0.419	41%	0.408	S	S	.	.	H	α-helix	trans	-56.4	-48	173.9	-176.4	-176.8	62.7	76.2	-6.2	111.9	K230 S231 L233 E239	K230-R235 HydrophobicContact CD-CB 4.44Å; S231-R235 WeakPolarHBondContact O-CB 3.38Å; S231-R235 PolarHBondContact O-N 3.25Å; L233-R235 PolarHBondContact O-N 2.83Å; R235-E239 IonicContact NH1-OE2 3.2Å; R235-E239 WeakPolarHBondContact O-CB 3.44Å; R235-E239 PolarHBondContact O-N 3.31Å; R235-E239 VanDerWaalsContact O-N 3.09Å
236	K	93.5	Very high	92.5	Very high	120 Å²	120	86.4 Å²	86.4	52%	0.522	40%	0.402	S	S	.	.	H	α-helix	trans	-65.5	-41	177.9	-66.7	175.4	-178	176	0	111.4	S232 L233 D234 E239 L240	S232-K236 PolarHBondContact O-N 2.92Å; L233-K236 WeakPolarHBondContact O-CB 3.41Å; L233-K236 PolarHBondContact O-N 3.26Å; D234-K236 PolarHBondContact O-N 3.36Å; K236-E239 PolarHBondContact O-N 2.94Å; K236-L240 WeakPolarHBondContact O-CG 3.46Å; K236-L240 PolarHBondContact O-N 2.75Å; K236-L240 VanDerWaalsContact O-N 3.1Å
237	L	92.9	Very high	92.1	Very high	85 Å²	85	88.1 Å²	88.1	45%	0.445	41%	0.413	S	S	.	.	H	α-helix	trans	-64.3	-45.9	178.3	-68.5	174.7	0	0	0	111.8	L233 D234 E239 L240 L241	L233-L237 HydrophobicContact CD1-CG 4.44Å; L233-L237 HydrophobicContact CG-CD1 4.13Å; L233-L237 HydrophobicContact CG-CG 4.43Å; L233-L237 WeakPolarHBondContact O-CG 3.49Å; L233-L237 PolarHBondContact O-N 2.78Å; D234-L237 PolarHBondContact O-N 3.32Å; L237-E239 VanDerWaalsContact C-N 3.29Å; L237-E239 PolarHBondContact O-N 3.34Å; L237-L240 PolarHBondContact O-N 3.31Å; L237-L241 WeakPolarHBondContact O-CG 3.47Å; L237-L241 PolarHBondContact O-N 3.34Å
238	L	91.7	Very high	91.5	Very high	63 Å²	63	90.5 Å²	90.5	33%	0.33	42%	0.422	S	S	.	.	H	α-helix	trans	-63.1	-36.4	177.8	-71.2	168.9	0	0	0	111.9	A59 K230 D234 L241 W242	A59-L238 HydrophobicContact CB-CD1 4.32Å; K230-L238 HydrophobicContact CD-CD1 3.86Å; D234-L238 VanDerWaalsContact O-CB 3.31Å; D234-L238 WeakPolarHBondContact O-CB 3.42Å; D234-L238 WeakPolarHBondContact O-CG 3.27Å; D234-L238 PolarHBondContact O-N 2.84Å; L238-L241 HydrophobicContact CD2-CD1 4.4Å; L238-L241 PolarHBondContact O-N 3.16Å; L238-W242 WeakPolarHBondContact O-CB 3.47Å; L238-W242 PolarHBondContact O-N 3.17Å
239	E	92.6	Very high	90.9	Very high	104 Å²	104	89.4 Å²	89.4	49%	0.486	43%	0.427	S	S	.	.	H	α-helix	trans	-63.7	-43.5	174.4	-173.1	175.9	178.7	0	0	111.9	R235 K236 L237 W242 N243	R235-E239 IonicContact NH1-OE2 3.2Å; R235-E239 WeakPolarHBondContact O-CB 3.44Å; R235-E239 PolarHBondContact O-N 3.31Å; R235-E239 VanDerWaalsContact O-N 3.09Å; K236-E239 PolarHBondContact O-N 2.94Å; L237-E239 VanDerWaalsContact C-N 3.29Å; L237-E239 PolarHBondContact O-N 3.34Å; E239-W242 PolarHBondContact O-N 3.43Å; E239-N243 VanDerWaalsContact O-CG 3.29Å; E239-N243 PolarHBondContact O-N 2.94Å; E239-N243 PolarHBondContact O-ND2 2.92Å
240	L	93.6	Very high	90.3	Very high	116 Å²	116	91.3 Å²	91.3	61%	0.607	44%	0.438	S	S	*	.	H	α-helix	trans	-64	-41.6	174.4	-67.9	173.4	0	0	0	112.2	K236 L237 W242 N243 K244	K236-L240 WeakPolarHBondContact O-CG 3.46Å; K236-L240 PolarHBondContact O-N 2.75Å; K236-L240 VanDerWaalsContact O-N 3.1Å; L237-L240 PolarHBondContact O-N 3.31Å; L240-W242 VanDerWaalsContact C-N 3.34Å; L240-N243 PolarHBondContact O-N 3.35Å; L240-K244 WeakPolarHBondContact O-CB 3.27Å; L240-K244 PolarHBondContact O-N 3.49Å; L240-K244 VanDerWaalsContact O-N 3.1Å
241	L	90.3	Very high	89.9	Confident	74 Å²	74	90.8 Å²	90.8	39%	0.387	45%	0.447	S	S	.	.	H	α-helix	trans	-63.5	-41.8	176.3	-69.9	171.6	0	0	0	111.3	L237 L238 K244 Y245	L237-L241 WeakPolarHBondContact O-CG 3.47Å; L237-L241 PolarHBondContact O-N 3.34Å; L238-L241 HydrophobicContact CD2-CD1 4.4Å; L238-L241 PolarHBondContact O-N 3.16Å; L241-K244 PolarHBondContact O-N 3.36Å; L241-Y245 HydrophobicContact CB-CD2 4.38Å; L241-Y245 HydrophobicContact CD2-CD2 4.11Å; L241-Y245 HydrophobicContact CD2-CE2 3.67Å; L241-Y245 VanDerWaalsContact O-CD2 3.28Å; L241-Y245 WeakPolarHBondContact O-CD2 3.18Å; L241-Y245 PolarHBondContact O-N 3.07Å
242	W	88.2	Confident	89.5	Confident	168 Å²	168	92.9 Å²	92.9	64%	0.636	46%	0.461	S	S	*	.	H	α-helix	trans	-59.9	-49.4	176.3	-171.4	-98.3	0	0	0	111.4	L238 E239 L240 K244 Y245 W246	L238-W242 WeakPolarHBondContact O-CB 3.47Å; L238-W242 PolarHBondContact O-N 3.17Å; E239-W242 PolarHBondContact O-N 3.43Å; L240-W242 VanDerWaalsContact C-N 3.34Å; W242-K244 PolarHBondContact O-N 3.49Å; W242-K244 VanDerWaalsContact O-N 3.16Å; W242-Y245 PolarHBondContact O-N 3.44Å; W242-W246 WeakPolarHBondContact O-CB 3.39Å; W242-W246 PolarHBondContact O-N 3.04Å
243	N	88.9	Confident	89.3	Confident	99 Å²	99	91.4 Å²	91.4	53%	0.529	45%	0.451	S	S	.	.	H	α-helix	trans	-60.9	-27.2	177.9	-69.8	-23.4	0	0	0	113.1	E239 L240 W246	E239-N243 VanDerWaalsContact O-CG 3.29Å; E239-N243 PolarHBondContact O-N 2.94Å; E239-N243 PolarHBondContact O-ND2 2.92Å; L240-N243 PolarHBondContact O-N 3.35Å; N243-W246 VanDerWaalsContact O-CD1 3.29Å
244	K	91	Very high	89	Confident	142 Å²	142	88.3 Å²	88.3	62%	0.617	44%	0.439	S	S	*	.	H	α-helix	trans	-84.5	-39.2	178.1	-172.8	173.8	179.3	-175.6	0	113.5	L240 L241 W242	L240-K244 WeakPolarHBondContact O-CB 3.27Å; L240-K244 PolarHBondContact O-N 3.49Å; L240-K244 VanDerWaalsContact O-N 3.1Å; L241-K244 PolarHBondContact O-N 3.36Å; W242-K244 PolarHBondContact O-N 3.49Å; W242-K244 VanDerWaalsContact O-N 3.16Å
245	Y	88.6	Confident	88.7	Confident	104 Å²	104	89.8 Å²	89.8	41%	0.408	45%	0.446	S	S	.	.	H	α-helix	trans	-113.3	-0.7	-165.9	-62.9	-65.1	0	0	0	115.2	L241 W242 V247 N248	L241-Y245 HydrophobicContact CB-CD2 4.38Å; L241-Y245 HydrophobicContact CD2-CD2 4.11Å; L241-Y245 HydrophobicContact CD2-CE2 3.67Å; L241-Y245 VanDerWaalsContact O-CD2 3.28Å; L241-Y245 WeakPolarHBondContact O-CD2 3.18Å; L241-Y245 PolarHBondContact O-N 3.07Å; W242-Y245 PolarHBondContact O-N 3.44Å; Y245-V247 PolarHBondContact O-N 3.23Å; Y245-V247 VanDerWaalsContact O-N 3.07Å; Y245-N248 WeakPolarHBondContact O-CB 3.23Å; Y245-N248 PolarHBondContact O-N 2.92Å
246	W	86.8	Confident	88.5	Confident	125 Å²	125	91.1 Å²	91.1	47%	0.473	46%	0.461	S	S	.	.	H	α-helix	trans	-53.3	-32.5	179.6	69	-85.9	0	0	0	113.6	W242 N243 N248 T249 L250	W242-W246 WeakPolarHBondContact O-CB 3.39Å; W242-W246 PolarHBondContact O-N 3.04Å; N243-W246 VanDerWaalsContact O-CD1 3.29Å; W246-N248 PolarHBondContact O-N 3.35Å; W246-T249 VanDerWaalsContact O-CB 3.31Å; W246-T249 WeakPolarHBondContact O-CB 3.39Å; W246-T249 PolarHBondContact O-N 2.95Å; W246-T249 VanDerWaalsContact O-N 3.09Å; W246-L250 HydrophobicContact CE3-CD1 3.59Å; W246-L250 HydrophobicContact CE3-CG 4.23Å; W246-L250 HydrophobicContact CH2-CD1 4.46Å; W246-L250 HydrophobicContact CZ3-CD1 3.28Å; W246-L250 HydrophobicContact CZ3-CG 4.37Å; W246-L250 PolarHBondContact O-N 3.05Å
247	V	88	Confident	88.1	Confident	73 Å²	73	88.6 Å²	88.6	44%	0.442	46%	0.455	S	S	.	.	H	α-helix	trans	-61.3	-35.1	177.3	-175.7	0	0	0	0	111.4	Y245 T249 L250 S251	Y245-V247 PolarHBondContact O-N 3.23Å; Y245-V247 VanDerWaalsContact O-N 3.07Å; V247-T249 VanDerWaalsContact C-N 3.29Å; V247-T249 PolarHBondContact O-N 3.42Å; V247-L250 PolarHBondContact O-N 3.26Å; V247-L250 VanDerWaalsContact O-N 3.16Å; V247-S251 PolarHBondContact O-N 3.08Å; V247-S251 PolarHBondContact O-OG 3.34Å
248	N	86.3	Confident	87.8	Confident	93 Å²	93	84.9 Å²	84.9	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-66.1	-34.3	176.8	-66.1	-17.1	0	0	0	111.7	Y245 W246 L250 S251 S252	Y245-N248 WeakPolarHBondContact O-CB 3.23Å; Y245-N248 PolarHBondContact O-N 2.92Å; W246-N248 PolarHBondContact O-N 3.35Å; N248-L250 VanDerWaalsContact C-N 3.31Å; N248-S251 WeakPolarHBondContact CA-OG 3.25Å; N248-S251 PolarHBondContact O-N 3.25Å; N248-S251 PolarHBondContact O-OG 3.03Å; N248-S252 VanDerWaalsContact O-CB 3.29Å; N248-S252 WeakPolarHBondContact O-CB 3.38Å; N248-S252 PolarHBondContact O-N 3.46Å; N248-S252 PolarHBondContact O-OG 3.38Å
249	T	82.7	Confident	87.7	Confident	82 Å²	82	83.7 Å²	83.7	50%	0.503	44%	0.436	S	S	.	.	H	α-helix	trans	-63.6	-41.9	173.7	-52.6	0	0	0	0	110.3	W246 V247 S252	W246-T249 VanDerWaalsContact O-CB 3.31Å; W246-T249 WeakPolarHBondContact O-CB 3.39Å; W246-T249 PolarHBondContact O-N 2.95Å; W246-T249 VanDerWaalsContact O-N 3.09Å; V247-T249 VanDerWaalsContact C-N 3.29Å; V247-T249 PolarHBondContact O-N 3.42Å; T249-S252 PolarHBondContact O-OG 3.01Å
250	L	83.6	Confident	87.5	Confident	69 Å²	69	85.6 Å²	85.6	36%	0.361	45%	0.449	S	S	.	.	H	α-helix	trans	-70.6	-38.8	177.1	-68.2	-176.7	0	0	0	113.6	W246 V247 N248 S252 K324 F328	W246-L250 HydrophobicContact CE3-CD1 3.59Å; W246-L250 HydrophobicContact CE3-CG 4.23Å; W246-L250 HydrophobicContact CH2-CD1 4.46Å; W246-L250 HydrophobicContact CZ3-CD1 3.28Å; W246-L250 HydrophobicContact CZ3-CG 4.37Å; W246-L250 PolarHBondContact O-N 3.05Å; V247-L250 PolarHBondContact O-N 3.26Å; V247-L250 VanDerWaalsContact O-N 3.16Å; N248-L250 VanDerWaalsContact C-N 3.31Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-K324 WeakPolarHBondContact O-CD 3.37Å; L250-K324 WeakPolarHBondContact O-CE 3.44Å; L250-K324 PolarHBondContact O-NZ 3.49Å; L250-F328 HydrophobicContact CD1-CZ 4.2Å
251	S	85.6	Confident	87.3	Confident	90 Å²	90	81.5 Å²	81.5	63%	0.629	43%	0.426	S	S	*	.	H	α-helix	trans	-77.9	-18	-179.9	65.3	0	0	0	0	113.6	V247 N248	V247-S251 PolarHBondContact O-N 3.08Å; V247-S251 PolarHBondContact O-OG 3.34Å; N248-S251 WeakPolarHBondContact CA-OG 3.25Å; N248-S251 PolarHBondContact O-N 3.25Å; N248-S251 PolarHBondContact O-OG 3.03Å
252	S	86.3	Confident	87.3	Confident	58 Å²	58	79.6 Å²	79.6	41%	0.406	42%	0.417	S	S	.	.			trans	-67.5	147.9	177.1	69.4	0	0	0	0	112.5	N248 T249 L250 K324	N248-S252 VanDerWaalsContact O-CB 3.29Å; N248-S252 WeakPolarHBondContact O-CB 3.38Å; N248-S252 PolarHBondContact O-N 3.46Å; N248-S252 PolarHBondContact O-OG 3.38Å; T249-S252 PolarHBondContact O-OG 3.01Å; L250-S252 VanDerWaalsContact C-N 3.34Å; S252-K324 PolarHBondContact O-NZ 3.14Å
253	S	87.7	Confident	87.5	Confident	13 Å²	13	75.2 Å²	75.2	9%	0.091	41%	0.409	C	S	.	.			trans	-124.8	116.2	172.4	-179.1	0	0	0	0	109.2	L255 L256 T257 Q321	S253-L255 PolarHBondContact O-N 3.18Å; S253-L256 PolarHBondContact O-N 3.45Å; S253-T257 WeakPolarHBondContact O-CB 3.21Å; S253-T257 PolarHBondContact O-N 2.91Å; S253-T257 PolarHBondContact O-OG1 2.81Å; S253-Q321 VanDerWaalsContact CB-NE2 3.3Å; S253-Q321 PolarHBondContact OG-NE2 3.3Å; S253-Q321 VanDerWaalsContact OG-NE2 3.11Å
254	S	85.5	Confident	87.6	Confident	41 Å²	41	72.2 Å²	72.2	29%	0.287	40%	0.401	S	S	.	.	H	α-helix	trans	-62.2	-33.6	175.7	54.4	0	0	0	0	111.6	L256 T257 N258 G317	S254-L256 VanDerWaalsContact C-N 3.31Å; S254-L256 PolarHBondContact O-N 2.82Å; S254-T257 PolarHBondContact O-N 2.66Å; S254-N258 WeakPolarHBondContact O-CB 3.44Å; S254-N258 VanDerWaalsContact O-CG 3.31Å; S254-N258 PolarHBondContact O-N 3.41Å; S254-N258 PolarHBondContact O-ND2 2.88Å; S254-G317 VanDerWaalsContact OG-CA 3.32Å; S254-G317 WeakPolarHBondContact OG-CA 3.34Å
255	L	86.6	Confident	87.6	Confident	55 Å²	55	66.1 Å²	66.1	29%	0.288	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-38.4	176.3	-64.2	176.8	0	0	0	112.8	S253 A259 L318 Q321	S253-L255 PolarHBondContact O-N 3.18Å; L255-A259 WeakPolarHBondContact O-CB 3.28Å; L255-A259 PolarHBondContact O-N 3.22Å; L255-L318 HydrophobicContact CD1-CD2 3.63Å; L255-L318 HydrophobicContact CD1-CG 3.94Å; L255-L318 HydrophobicContact CD2-CG 4.41Å; L255-Q321 HydrophobicContact CD1-CG 4.24Å
256	L	87.4	Confident	87.8	Confident	140 Å²	140	65.1 Å²	65.1	73%	0.733	38%	0.38	S	S	*	.	H	α-helix	trans	-80.7	-43.1	178.4	-64.3	177.9	0	0	0	111.2	S253 S254 N258	S253-L256 PolarHBondContact O-N 3.45Å; S254-L256 VanDerWaalsContact C-N 3.31Å; S254-L256 PolarHBondContact O-N 2.82Å; L256-N258 VanDerWaalsContact C-N 3.29Å; L256-N258 PolarHBondContact O-N 3.23Å
257	T	85.6	Confident	88.1	Confident	66 Å²	66	65.8 Å²	65.8	41%	0.405	39%	0.386	S	S	.	.	H	α-helix	trans	-70.8	-29	-174.1	-47.3	0	0	0	0	112	I176 S253 S254	I176-T257 HydrophobicContact CG2-CG2 3.76Å; S253-T257 WeakPolarHBondContact O-CB 3.21Å; S253-T257 PolarHBondContact O-N 2.91Å; S253-T257 PolarHBondContact O-OG1 2.81Å; S254-T257 PolarHBondContact O-N 2.66Å
258	N	86	Confident	88.3	Confident	7 Å²	7	63.3 Å²	63.3	4%	0.037	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	11	-176.8	-51.6	-32.9	0	0	0	113	I176 S177 S254 L256 D260 Y261 T262	I176-N258 VanDerWaalsContact CG2-OD1 3.29Å; I176-N258 WeakPolarHBondContact CG2-OD1 3.31Å; S177-N258 WeakPolarHBondContact CA-ND2 3.31Å; S254-N258 WeakPolarHBondContact O-CB 3.44Å; S254-N258 VanDerWaalsContact O-CG 3.31Å; S254-N258 PolarHBondContact O-N 3.41Å; S254-N258 PolarHBondContact O-ND2 2.88Å; L256-N258 VanDerWaalsContact C-N 3.29Å; L256-N258 PolarHBondContact O-N 3.23Å; N258-D260 VanDerWaalsContact C-N 3.34Å; N258-D260 PolarHBondContact O-N 2.96Å; N258-Y261 WeakPolarHBondContact O-CB 3.33Å; N258-Y261 PolarHBondContact O-N 2.81Å; N258-T262 PolarHBondContact O-N 3.04Å; N258-T262 PolarHBondContact O-OG1 2.85Å
259	A	89.4	Confident	88.6	Confident	39 Å²	39	60 Å²	60	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-51.4	-52.4	-175.3	0	0	0	0	0	111.9	L255 Y261 T262 T263	L255-A259 WeakPolarHBondContact O-CB 3.28Å; L255-A259 PolarHBondContact O-N 3.22Å; A259-Y261 VanDerWaalsContact C-N 3.3Å; A259-Y261 PolarHBondContact O-N 3.14Å; A259-T262 PolarHBondContact O-N 2.99Å; A259-T263 WeakPolarHBondContact O-CB 3.33Å; A259-T263 PolarHBondContact O-N 2.6Å; A259-T263 PolarHBondContact O-OG1 2.97Å
260	D	89.1	Confident	89.1	Confident	144 Å²	144	58.6 Å²	58.6	77%	0.77	35%	0.346	S	S	*	.	H	α-helix	trans	-60.8	-39.4	179.6	-62.6	-23.5	0	0	0	112.3	N258 G264	N258-D260 VanDerWaalsContact C-N 3.34Å; N258-D260 PolarHBondContact O-N 2.96Å; D260-G264 PolarHBondContact O-N 2.9Å
261	Y	89.5	Confident	89.5	Confident	29 Å²	29	60.2 Å²	60.2	11%	0.114	35%	0.352	C	S	.	.	H	α-helix	trans	-66.3	-48.7	177.7	175	-114.8	0	0	0	111.7	T173 N258 A259 T263 G264 Q265	T173-Y261 HydrophobicContact CG2-CD1 4.11Å; T173-Y261 HydrophobicContact CG2-CD2 3.38Å; T173-Y261 HydrophobicContact CG2-CE2 4.05Å; T173-Y261 HydrophobicContact CG2-CG 3.41Å; T173-Y261 VanDerWaalsContact CG2-CG 3.41Å; N258-Y261 WeakPolarHBondContact O-CB 3.33Å; N258-Y261 PolarHBondContact O-N 2.81Å; A259-Y261 VanDerWaalsContact C-N 3.3Å; A259-Y261 PolarHBondContact O-N 3.14Å; Y261-T263 VanDerWaalsContact C-N 3.33Å; Y261-T263 PolarHBondContact O-N 3.24Å; Y261-G264 PolarHBondContact O-N 3.41Å; Y261-G264 VanDerWaalsContact O-N 3.15Å; Y261-Q265 HydrophobicContact CD2-CG 4.4Å; Y261-Q265 HydrophobicContact CE1-CG 4.15Å; Y261-Q265 HydrophobicContact CE2-CG 3.98Å; Y261-Q265 VanDerWaalsContact CZ-CD 3.41Å; Y261-Q265 WeakPolarHBondContact O-CG 3.42Å; Y261-Q265 PolarHBondContact O-N 2.82Å; Y261-Q265 PolarHBondContact OH-NE2 2.68Å
262	T	90.2	Very high	89.7	Confident	35 Å²	35	56.7 Å²	56.7	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-61.2	-43	178	-59.2	0	0	0	0	110.9	N258 A259 G264 Q265 V266 T310	N258-T262 PolarHBondContact O-N 3.04Å; N258-T262 PolarHBondContact O-OG1 2.85Å; A259-T262 PolarHBondContact O-N 2.99Å; T262-G264 VanDerWaalsContact C-N 3.35Å; T262-G264 PolarHBondContact O-N 3.48Å; T262-Q265 PolarHBondContact O-N 3.39Å; T262-V266 WeakPolarHBondContact O-CG2 3.23Å; T262-V266 PolarHBondContact O-N 2.57Å; T262-T310 HydrophobicContact CG2-CG2 4.09Å
263	T	92.2	Very high	89.9	Confident	75 Å²	75	57.8 Å²	57.8	46%	0.46	33%	0.326	S	S	.	.	H	α-helix	trans	-60.2	-44.2	173.6	-67	0	0	0	0	111.6	A259 Y261 Q265 V266 F267	A259-T263 WeakPolarHBondContact O-CB 3.33Å; A259-T263 PolarHBondContact O-N 2.6Å; A259-T263 PolarHBondContact O-OG1 2.97Å; Y261-T263 VanDerWaalsContact C-N 3.33Å; Y261-T263 PolarHBondContact O-N 3.24Å; T263-Q265 PolarHBondContact O-N 3.32Å; T263-V266 PolarHBondContact O-N 3.14Å; T263-F267 HydrophobicContact CG2-CD2 3.74Å; T263-F267 HydrophobicContact CG2-CE2 3.38Å; T263-F267 HydrophobicContact CG2-CZ 4.43Å; T263-F267 VanDerWaalsContact O-CD2 3.23Å; T263-F267 WeakPolarHBondContact O-CD2 3.49Å; T263-F267 PolarHBondContact O-N 3.1Å
264	G	91.1	Very high	90	Very high	36 Å²	36	62.6 Å²	62.6	37%	0.371	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-40.9	174.6	0	0	0	0	0	113.4	D260 Y261 T262 V266 F267 D268	D260-G264 PolarHBondContact O-N 2.9Å; Y261-G264 PolarHBondContact O-N 3.41Å; Y261-G264 VanDerWaalsContact O-N 3.15Å; T262-G264 VanDerWaalsContact C-N 3.35Å; T262-G264 PolarHBondContact O-N 3.48Å; G264-V266 VanDerWaalsContact C-N 3.32Å; G264-V266 PolarHBondContact O-N 3.08Å; G264-F267 PolarHBondContact O-N 3.11Å; G264-D268 WeakPolarHBondContact O-CB 3.2Å; G264-D268 PolarHBondContact O-N 2.92Å
265	Q	91	Very high	90.1	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.065	36%	0.355	C	S	.	.	H	α-helix	trans	-64.3	-35.6	175	-70.2	-179.1	-71.1	0	0	112.7	Y261 T262 T263 L269 T310	Y261-Q265 HydrophobicContact CD2-CG 4.4Å; Y261-Q265 HydrophobicContact CE1-CG 4.15Å; Y261-Q265 HydrophobicContact CE2-CG 3.98Å; Y261-Q265 VanDerWaalsContact CZ-CD 3.41Å; Y261-Q265 WeakPolarHBondContact O-CG 3.42Å; Y261-Q265 PolarHBondContact O-N 2.82Å; Y261-Q265 PolarHBondContact OH-NE2 2.68Å; T262-Q265 PolarHBondContact O-N 3.39Å; T263-Q265 PolarHBondContact O-N 3.32Å; Q265-L269 VanDerWaalsContact O-CB 3.24Å; Q265-L269 WeakPolarHBondContact O-CB 3.16Å; Q265-L269 PolarHBondContact O-N 3.1Å; Q265-T310 HydrophobicContact CB-CG2 4.13Å
266	V	92.6	Very high	90	Very high	83 Å²	83	63 Å²	63	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-68.6	-41.9	176.3	173	0	0	0	0	110.8	T262 T263 G264 L269 S270 T310	T262-V266 WeakPolarHBondContact O-CG2 3.23Å; T262-V266 PolarHBondContact O-N 2.57Å; T263-V266 PolarHBondContact O-N 3.14Å; G264-V266 VanDerWaalsContact C-N 3.32Å; G264-V266 PolarHBondContact O-N 3.08Å; V266-L269 PolarHBondContact O-N 3.07Å; V266-S270 PolarHBondContact O-N 3.49Å; V266-T310 HydrophobicContact CG2-CG2 4.25Å
267	F	94.1	Very high	90	Very high	140 Å²	140	63 Å²	63	61%	0.614	34%	0.34	S	S	*	.	H	α-helix	trans	-62.7	-48.3	173.9	-76.3	-59.8	0	0	0	112	T263 G264 L269 S270 E271	T263-F267 HydrophobicContact CG2-CD2 3.74Å; T263-F267 HydrophobicContact CG2-CE2 3.38Å; T263-F267 HydrophobicContact CG2-CZ 4.43Å; T263-F267 VanDerWaalsContact O-CD2 3.23Å; T263-F267 WeakPolarHBondContact O-CD2 3.49Å; T263-F267 PolarHBondContact O-N 3.1Å; G264-F267 PolarHBondContact O-N 3.11Å; F267-L269 VanDerWaalsContact C-N 3.29Å; F267-L269 PolarHBondContact O-N 2.87Å; F267-S270 WeakPolarHBondContact O-CB 3.22Å; F267-S270 PolarHBondContact O-N 3.25Å; F267-S270 VanDerWaalsContact O-N 3.09Å; F267-E271 PolarHBondContact O-N 3.14Å
268	D	92.3	Very high	89.9	Confident	20 Å²	20	62.6 Å²	62.6	11%	0.107	34%	0.343	C	S	.	.	H	α-helix	trans	-58.8	-40.1	176.5	178	75.1	0	0	0	112.1	P207 L208 G264 E271 K272	P207-D268 WeakPolarHBondContact CA-OD1 3.19Å; L208-D268 PolarHBondContact N-OD1 2.81Å; G264-D268 WeakPolarHBondContact O-CB 3.2Å; G264-D268 PolarHBondContact O-N 2.92Å; D268-E271 PolarHBondContact O-N 3.37Å; D268-K272 WeakPolarHBondContact O-CB 3.45Å; D268-K272 VanDerWaalsContact O-CG 3.3Å; D268-K272 WeakPolarHBondContact O-CG 3.45Å; D268-K272 PolarHBondContact O-N 3.23Å; D268-K272 WeakPolarHBondContact OD2-CE 3.45Å; D268-K272 IonicContact OD2-NZ 2.82Å; D268-K272 PolarHBondContact OD2-NZ 2.98Å
269	L	92	Very high	89.5	Confident	23 Å²	23	65.5 Å²	65.5	12%	0.12	36%	0.357	C	S	.	.	H	α-helix	trans	-64.3	-42.4	174.2	178.2	64.1	0	0	0	112	Q265 V266 F267 K272 L273 A303 D306	Q265-L269 VanDerWaalsContact O-CB 3.24Å; Q265-L269 WeakPolarHBondContact O-CB 3.16Å; Q265-L269 PolarHBondContact O-N 3.1Å; V266-L269 PolarHBondContact O-N 3.07Å; F267-L269 VanDerWaalsContact C-N 3.29Å; F267-L269 PolarHBondContact O-N 2.87Å; L269-K272 PolarHBondContact O-N 2.87Å; L269-L273 HydrophobicContact CD1-CD1 4.41Å; L269-L273 HydrophobicContact CD1-CG 4.39Å; L269-L273 HydrophobicContact CG-CD1 4.2Å; L269-L273 VanDerWaalsContact O-CG 3.31Å; L269-L273 WeakPolarHBondContact O-CG 3.35Å; L269-L273 PolarHBondContact O-N 2.7Å; L269-A303 HydrophobicContact CD1-CB 4.02Å; L269-A303 VanDerWaalsContact CD1-O 3.26Å; L269-A303 WeakPolarHBondContact CD1-O 3.43Å; L269-D306 HydrophobicContact CD1-CB 4.36Å
270	S	92.9	Very high	88.8	Confident	53 Å²	53	67.4 Å²	67.4	37%	0.371	36%	0.361	S	S	.	.	H	α-helix	trans	-58.6	-49.3	176.5	-165.9	0	0	0	0	110.8	V266 F267 K272 L273 E274	V266-S270 PolarHBondContact O-N 3.49Å; F267-S270 WeakPolarHBondContact O-CB 3.22Å; F267-S270 PolarHBondContact O-N 3.25Å; F267-S270 VanDerWaalsContact O-N 3.09Å; S270-K272 VanDerWaalsContact C-N 3.33Å; S270-K272 PolarHBondContact O-N 3.41Å; S270-L273 PolarHBondContact O-N 2.84Å; S270-E274 WeakPolarHBondContact O-CG 3.33Å; S270-E274 PolarHBondContact O-N 3.43Å
271	E	91.8	Very high	87.7	Confident	104 Å²	104	63.5 Å²	63.5	49%	0.486	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-39.1	177.3	-70.3	-175.3	166.3	0	0	112.1	L208 F267 D268 L273 E274 Q275	L208-E271 HydrophobicContact CD1-CB 3.36Å; F267-E271 PolarHBondContact O-N 3.14Å; D268-E271 PolarHBondContact O-N 3.37Å; E271-L273 VanDerWaalsContact C-N 3.31Å; E271-L273 PolarHBondContact O-N 2.98Å; E271-E274 PolarHBondContact O-N 3.3Å; E271-Q275 WeakPolarHBondContact O-CB 3.11Å; E271-Q275 WeakPolarHBondContact O-CG 3.24Å; E271-Q275 PolarHBondContact O-N 3.31Å
272	K	90.6	Very high	86.3	Confident	16 Å²	16	72.2 Å²	72.2	7%	0.07	39%	0.388	C	S	.	.	H	α-helix	trans	-61.9	-39.5	175.5	-79.7	169.5	176.4	166.3	0	111.9	I206 L208 D268 L269 S270 S276 D306	I206-K272 PolarHBondContact O-NZ 3.15Å; L208-K272 HydrophobicContact CD1-CB 4.43Å; L208-K272 HydrophobicContact CD1-CG 3.69Å; L208-K272 HydrophobicContact CD2-CD 4.48Å; L208-K272 HydrophobicContact CD2-CG 3.58Å; L208-K272 HydrophobicContact CG-CD 4.33Å; L208-K272 HydrophobicContact CG-CG 3.55Å; D268-K272 WeakPolarHBondContact O-CB 3.45Å; D268-K272 VanDerWaalsContact O-CG 3.3Å; D268-K272 WeakPolarHBondContact O-CG 3.45Å; D268-K272 PolarHBondContact O-N 3.23Å; D268-K272 WeakPolarHBondContact OD2-CE 3.45Å; D268-K272 IonicContact OD2-NZ 2.82Å; D268-K272 PolarHBondContact OD2-NZ 2.98Å; L269-K272 PolarHBondContact O-N 2.87Å; S270-K272 VanDerWaalsContact C-N 3.33Å; S270-K272 PolarHBondContact O-N 3.41Å; K272-S276 WeakPolarHBondContact O-CB 3.36Å; K272-S276 PolarHBondContact O-N 2.86Å; K272-S276 VanDerWaalsContact O-N 3.13Å; K272-S276 PolarHBondContact O-OG 3.36Å; K272-D306 IonicContact NZ-OD2 3.77Å; K272-D306 PolarHBondContact NZ-OD2 2.93Å
273	L	90.5	Very high	84.4	Confident	80 Å²	80	72.5 Å²	72.5	42%	0.419	40%	0.397	S	S	.	.	H	α-helix	trans	-69	-46.1	177.4	-70.7	171.2	0	0	0	111	L269 S270 E271 Q275 S276 E277 L300 A303	L269-L273 HydrophobicContact CD1-CD1 4.41Å; L269-L273 HydrophobicContact CD1-CG 4.39Å; L269-L273 HydrophobicContact CG-CD1 4.2Å; L269-L273 VanDerWaalsContact O-CG 3.31Å; L269-L273 WeakPolarHBondContact O-CG 3.35Å; L269-L273 PolarHBondContact O-N 2.7Å; S270-L273 PolarHBondContact O-N 2.84Å; E271-L273 VanDerWaalsContact C-N 3.31Å; E271-L273 PolarHBondContact O-N 2.98Å; L273-Q275 VanDerWaalsContact C-N 3.35Å; L273-Q275 PolarHBondContact O-N 3.02Å; L273-S276 WeakPolarHBondContact O-CB 3.48Å; L273-S276 PolarHBondContact O-N 2.8Å; L273-E277 PolarHBondContact O-N 3.09Å; L273-L300 HydrophobicContact CD2-CD2 4.4Å; L273-A303 HydrophobicContact CD2-CB 3.9Å; L273-A303 HydrophobicContact CG-CB 4.49Å
274	E	90.4	Very high	82.5	Confident	114 Å²	114	74.5 Å²	74.5	53%	0.533	41%	0.414	S	S	.	.	H	α-helix	trans	-58.9	-43.6	176.1	-73	174	-159.6	0	0	112.1	S270 E271 S276 E277 A278	S270-E274 WeakPolarHBondContact O-CG 3.33Å; S270-E274 PolarHBondContact O-N 3.43Å; E271-E274 PolarHBondContact O-N 3.3Å; E274-S276 VanDerWaalsContact C-N 3.29Å; E274-S276 PolarHBondContact O-N 3Å; E274-E277 PolarHBondContact O-N 2.96Å; E274-A278 WeakPolarHBondContact O-CB 3.44Å; E274-A278 PolarHBondContact O-N 2.91Å
275	Q	86.2	Confident	80.7	Confident	96 Å²	96	82.2 Å²	82.2	45%	0.449	44%	0.438	S	S	.	.	H	α-helix	trans	-63.3	-34.7	174.7	-73.7	-175.1	15.3	0	0	112.7	E271 L273 Q279	E271-Q275 WeakPolarHBondContact O-CB 3.11Å; E271-Q275 WeakPolarHBondContact O-CG 3.24Å; E271-Q275 PolarHBondContact O-N 3.31Å; L273-Q275 VanDerWaalsContact C-N 3.35Å; L273-Q275 PolarHBondContact O-N 3.02Å; Q275-Q279 WeakPolarHBondContact O-CG 3.22Å; Q275-Q279 PolarHBondContact O-N 3.46Å
276	S	85.8	Confident	78.5	Confident	8 Å²	8	89.3 Å²	89.3	6%	0.056	47%	0.473	C	S	.	.	H	α-helix	trans	-72.4	-41.7	177.9	-59.5	0	0	0	0	111.1	K272 L273 E274 Q279 L280	K272-S276 WeakPolarHBondContact O-CB 3.36Å; K272-S276 PolarHBondContact O-N 2.86Å; K272-S276 VanDerWaalsContact O-N 3.13Å; K272-S276 PolarHBondContact O-OG 3.36Å; L273-S276 WeakPolarHBondContact O-CB 3.48Å; L273-S276 PolarHBondContact O-N 2.8Å; E274-S276 VanDerWaalsContact C-N 3.29Å; E274-S276 PolarHBondContact O-N 3Å; S276-Q279 PolarHBondContact O-N 2.88Å; S276-L280 WeakPolarHBondContact O-CG 3.22Å; S276-L280 PolarHBondContact O-N 2.65Å; S276-L280 VanDerWaalsContact O-N 3.15Å
277	E	86.3	Confident	76.2	Confident	141 Å²	141	94.3 Å²	94.3	66%	0.659	50%	0.496	S	S	*	.	H	α-helix	trans	-62	-47.7	175.5	-175.9	179.8	-173.3	0	0	111.8	L273 E274 Q279 L280 G281	L273-E277 PolarHBondContact O-N 3.09Å; E274-E277 PolarHBondContact O-N 2.96Å; E277-Q279 PolarHBondContact O-N 3.36Å; E277-Q279 VanDerWaalsContact O-N 3.14Å; E277-L280 PolarHBondContact O-N 3.42Å; E277-L280 VanDerWaalsContact O-N 3.07Å; E277-G281 PolarHBondContact O-N 2.93Å
278	A	84.1	Confident	73.9	Confident	57 Å²	57	90.8 Å²	90.8	47%	0.471	50%	0.499	S	S	.	.	H	α-helix	trans	-59.1	-28.4	178.6	0	0	0	0	0	113	E274 R282	E274-A278 WeakPolarHBondContact O-CB 3.44Å; E274-A278 PolarHBondContact O-N 2.91Å; A278-R282 WeakPolarHBondContact O-CG 3.41Å
279	Q	76.6	Confident	71.6	Confident	69 Å²	69	95.1 Å²	95.1	32%	0.322	52%	0.522	S	S	.	.	H	α-helix	trans	-79.3	-38	175.9	-71.2	-175	-3.5	0	0	112.5	Q275 S276 E277 R282 G283 K299	Q275-Q279 WeakPolarHBondContact O-CG 3.22Å; Q275-Q279 PolarHBondContact O-N 3.46Å; S276-Q279 PolarHBondContact O-N 2.88Å; E277-Q279 PolarHBondContact O-N 3.36Å; E277-Q279 VanDerWaalsContact O-N 3.14Å; Q279-R282 PolarHBondContact O-N 3.49Å; Q279-G283 PolarHBondContact O-N 2.74Å; Q279-K299 VanDerWaalsContact CD-NZ 3.28Å
280	L	76.5	Confident	69.4	Low	78 Å²	78	102.2 Å²	102.2	41%	0.408	55%	0.554	S	S	.	*	H	α-helix	trans	-64.3	-42.3	174	-70.3	169.2	0	0	0	111.5	S276 E277 R282 G283 L300	S276-L280 WeakPolarHBondContact O-CG 3.22Å; S276-L280 PolarHBondContact O-N 2.65Å; S276-L280 VanDerWaalsContact O-N 3.15Å; E277-L280 PolarHBondContact O-N 3.42Å; E277-L280 VanDerWaalsContact O-N 3.07Å; L280-R282 PolarHBondContact O-N 3Å; L280-G283 PolarHBondContact O-N 2.96Å; L280-L300 HydrophobicContact CD1-CD1 4.18Å
281	G	65.7	Low	67.3	Low	62 Å²	62	103.4 Å²	103.4	64%	0.639	56%	0.56	S	S	*	*	H	α-helix	trans	-62.3	-25.1	178.1	0	0	0	0	0	114.5	E277	E277-G281 PolarHBondContact O-N 2.93Å
282	R	59.2	Low	65.1	Low	213 Å²	213	103.1 Å²	103.1	80%	0.804	56%	0.558	S	S	*	*	H	α-helix	trans	-84.3	-19.8	174.3	-68.7	-177.4	-174	-169.7	3.2	113.4	A278 Q279 L280	A278-R282 WeakPolarHBondContact O-CG 3.41Å; Q279-R282 PolarHBondContact O-N 3.49Å; L280-R282 PolarHBondContact O-N 3Å
283	G	50.9	Low	63.2	Low	40 Å²	40	107.3 Å²	107.3	41%	0.412	58%	0.581	S	S	.	*	H	α-helix	trans	-73.3	-27.4	-177.2	0	0	0	0	0	114.3	Q279 L280 F285 M286	Q279-G283 PolarHBondContact O-N 2.74Å; L280-G283 PolarHBondContact O-N 2.96Å; G283-F285 PolarHBondContact O-N 3.05Å; G283-M286 PolarHBondContact O-N 2.67Å
284	S	51.8	Low	61.4	Low	117 Å²	117	112.7 Å²	112.7	82%	0.818	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-12.2	-177.1	-67.1	0	0	0	0	115.2
285	F	53.1	Low	59.9	Low	199 Å²	199	114 Å²	114	87%	0.873	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-9	179.3	-159	-101.6	0	0	0	114.9	G283	G283-F285 PolarHBondContact O-N 3.05Å
286	M	45	Very low	58.5	Low	163 Å²	163	109.9 Å²	109.9	80%	0.803	58%	0.582	S	S	*	*			trans	-117.5	87.8	-178.8	-149.6	176.9	-81.4	0	0	110.8	G283 G288	G283-M286 PolarHBondContact O-N 2.67Å; M286-G288 PolarHBondContact O-N 3Å
287	L	43.6	Very low	57.3	Low	187 Å²	187	116 Å²	116	98%	0.979	61%	0.61	S	S	*	*			trans	-62.8	92.6	173.2	-165	111.2	0	0	0	109.8
288	G	46	Very low	57	Low	67 Å²	67	112.5 Å²	112.5	69%	0.691	60%	0.595	S	S	*	*			trans	127.1	80	166.3	0	0	0	0	0	115	M286	M286-G288 PolarHBondContact O-N 3Å
289	L	44.7	Very low	56.9	Low	110 Å²	110	113 Å²	113	58%	0.576	59%	0.587	S	S	*	*			trans	-161.8	99.6	146.2	-160.6	66.7	0	0	0	110.6	T291 H292	L289-T291 WeakPolarHBondContact CD2-OG1 3.34Å; L289-T291 HydrophobicContact CG-CG2 4.28Å; L289-T291 WeakPolarHBondContact CG-OG1 3.46Å; L289-T291 PolarHBondContact O-N 3Å; L289-H292 PolarHBondContact O-N 3.07Å
290	E	46.2	Very low	57.3	Low	172 Å²	172	113 Å²	113	80%	0.804	59%	0.589	S	S	*	*	H	α-helix	trans	-51.8	-14.8	174.4	-61.1	-179.1	153	0	0	114.1
291	T	48.1	Very low	57.8	Low	79 Å²	79	111.3 Å²	111.3	49%	0.485	59%	0.586	S	S	.	*	H	α-helix	trans	-79.8	-19.5	177.7	74.2	0	0	0	0	114.1	L289	L289-T291 WeakPolarHBondContact CD2-OG1 3.34Å; L289-T291 HydrophobicContact CG-CG2 4.28Å; L289-T291 WeakPolarHBondContact CG-OG1 3.46Å; L289-T291 PolarHBondContact O-N 3Å
292	H	46.1	Very low	58.8	Low	98 Å²	98	111.5 Å²	111.5	45%	0.454	57%	0.569	S	S	.	*	H	α-helix	trans	-83.4	-37.8	-178.2	-143.7	-76.7	0	0	0	111.8	L289 K295 S296	L289-H292 PolarHBondContact O-N 3.07Å; H292-K295 PolarHBondContact O-N 2.97Å; H292-S296 PolarHBondContact O-N 3.3Å; H292-S296 VanDerWaalsContact O-N 3.15Å; H292-S296 PolarHBondContact O-OG 3.07Å
293	D	50.4	Low	60.2	Low	103 Å²	103	101.5 Å²	101.5	55%	0.551	53%	0.532	S	S	*	.	H	α-helix	trans	-64.7	-40.2	178.4	-69.1	-33.3	0	0	0	112.5	K295 S296 E297	D293-K295 VanDerWaalsContact C-N 3.28Å; D293-K295 PolarHBondContact O-N 2.75Å; D293-S296 WeakPolarHBondContact CA-OG 3.44Å; D293-S296 PolarHBondContact O-N 3.09Å; D293-S296 PolarHBondContact O-OG 3.32Å; D293-E297 WeakPolarHBondContact O-CB 3.44Å; D293-E297 WeakPolarHBondContact O-CG 3.43Å; D293-E297 PolarHBondContact O-N 3.36Å
294	R	53.8	Low	62	Low	193 Å²	193	103.6 Å²	103.6	73%	0.728	54%	0.537	S	S	*	.	H	α-helix	trans	-63.7	-33.1	175.9	-70.9	-174.7	177.3	-179.3	1.7	113.1	D298	R294-D298 WeakPolarHBondContact O-CB 3.25Å; R294-D298 PolarHBondContact O-N 3.48Å
295	K	57.9	Low	63.8	Low	142 Å²	142	104 Å²	104	62%	0.617	52%	0.521	S	S	*	.	H	α-helix	trans	-75.3	-36.1	179	-75.6	-177.6	179.4	178.5	0	112.1	H292 D293 K299	H292-K295 PolarHBondContact O-N 2.97Å; D293-K295 VanDerWaalsContact C-N 3.28Å; D293-K295 PolarHBondContact O-N 2.75Å; K295-K299 WeakPolarHBondContact O-CG 3.25Å; K295-K299 PolarHBondContact O-N 3.18Å
296	S	57	Low	65.6	Low	10 Å²	10	94.7 Å²	94.7	7%	0.07	48%	0.48	C	S	.	.	H	α-helix	trans	-73	-41.1	176	51.8	0	0	0	0	111.8	H292 D293 D298 K299 L300	H292-S296 PolarHBondContact O-N 3.3Å; H292-S296 VanDerWaalsContact O-N 3.15Å; H292-S296 PolarHBondContact O-OG 3.07Å; D293-S296 WeakPolarHBondContact CA-OG 3.44Å; D293-S296 PolarHBondContact O-N 3.09Å; D293-S296 PolarHBondContact O-OG 3.32Å; S296-D298 VanDerWaalsContact C-N 3.3Å; S296-D298 PolarHBondContact O-N 3.07Å; S296-K299 PolarHBondContact O-N 3.36Å; S296-K299 VanDerWaalsContact O-N 3.17Å; S296-L300 PolarHBondContact O-N 3.41Å
297	E	60.1	Low	67.8	Low	136 Å²	136	89.1 Å²	89.1	64%	0.636	46%	0.457	S	S	*	.	H	α-helix	trans	-58	-42.2	172.2	-76.6	-176.2	164.5	0	0	111.7	D293 K299 L300 A301	D293-E297 WeakPolarHBondContact O-CB 3.44Å; D293-E297 WeakPolarHBondContact O-CG 3.43Å; D293-E297 PolarHBondContact O-N 3.36Å; E297-K299 VanDerWaalsContact C-N 3.34Å; E297-K299 PolarHBondContact O-N 3.3Å; E297-L300 PolarHBondContact O-N 3.1Å; E297-A301 VanDerWaalsContact O-CB 3.29Å; E297-A301 WeakPolarHBondContact O-CB 3.34Å; E297-A301 PolarHBondContact O-N 3.29Å
298	D	80.3	Confident	70.1	Confident	67 Å²	67	83.3 Å²	83.3	36%	0.358	43%	0.431	S	S	.	.	H	α-helix	trans	-64.4	-36.7	176.9	-174.8	38.3	0	0	0	112.2	R294 S296 K302	R294-D298 WeakPolarHBondContact O-CB 3.25Å; R294-D298 PolarHBondContact O-N 3.48Å; S296-D298 VanDerWaalsContact C-N 3.3Å; S296-D298 PolarHBondContact O-N 3.07Å; D298-K302 WeakPolarHBondContact O-CB 3.47Å; D298-K302 WeakPolarHBondContact O-CD 3.24Å; D298-K302 WeakPolarHBondContact O-CG 3.36Å; D298-K302 PolarHBondContact O-N 3.03Å; D298-K302 WeakPolarHBondContact OD1-CE 3.31Å; D298-K302 IonicContact OD1-NZ 3.93Å; D298-K302 VanDerWaalsContact OD2-CE 3.25Å; D298-K302 WeakPolarHBondContact OD2-CE 3.47Å; D298-K302 IonicContact OD2-NZ 2.57Å; D298-K302 PolarHBondContact OD2-NZ 3.16Å
299	K	81.4	Confident	72.2	Confident	69 Å²	69	83.1 Å²	83.1	30%	0.3	41%	0.411	S	S	.	.	H	α-helix	trans	-67.9	-45.6	175.7	-76	-175.6	174.7	-167	0	113	Q279 K295 S296 E297 A301 K302 A303	Q279-K299 VanDerWaalsContact CD-NZ 3.28Å; K295-K299 WeakPolarHBondContact O-CG 3.25Å; K295-K299 PolarHBondContact O-N 3.18Å; S296-K299 PolarHBondContact O-N 3.36Å; S296-K299 VanDerWaalsContact O-N 3.17Å; E297-K299 VanDerWaalsContact C-N 3.34Å; E297-K299 PolarHBondContact O-N 3.3Å; K299-A301 VanDerWaalsContact C-N 3.31Å; K299-A301 PolarHBondContact O-N 2.89Å; K299-K302 WeakPolarHBondContact O-CB 3.3Å; K299-K302 PolarHBondContact O-N 2.91Å; K299-A303 PolarHBondContact O-N 3.17Å
300	L	85.2	Confident	74.3	Confident	68 Å²	68	78.4 Å²	78.4	36%	0.356	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-38.2	175.8	-72.2	177.4	0	0	0	111.5	L273 L280 S296 E297 K302 A303 T304	L273-L300 HydrophobicContact CD2-CD2 4.4Å; L280-L300 HydrophobicContact CD1-CD1 4.18Å; S296-L300 PolarHBondContact O-N 3.41Å; E297-L300 PolarHBondContact O-N 3.1Å; L300-K302 VanDerWaalsContact C-N 3.31Å; L300-K302 PolarHBondContact O-N 2.86Å; L300-A303 PolarHBondContact O-N 3.4Å; L300-T304 WeakPolarHBondContact O-CB 3.28Å; L300-T304 PolarHBondContact O-N 3.14Å; L300-T304 PolarHBondContact O-OG1 3.34Å
301	A	86.9	Confident	76.5	Confident	43 Å²	43	73.6 Å²	73.6	36%	0.355	37%	0.37	S	S	.	.	H	α-helix	trans	-64	-35.8	174.2	0	0	0	0	0	112.4	E297 K299 R305	E297-A301 VanDerWaalsContact O-CB 3.29Å; E297-A301 WeakPolarHBondContact O-CB 3.34Å; E297-A301 PolarHBondContact O-N 3.29Å; K299-A301 VanDerWaalsContact C-N 3.31Å; K299-A301 PolarHBondContact O-N 2.89Å; A301-R305 WeakPolarHBondContact O-CG 3.39Å; A301-R305 PolarHBondContact O-N 2.97Å; A301-R305 VanDerWaalsContact O-N 3.1Å; A301-R305 PolarHBondContact O-NE 3.1Å
302	K	87.2	Confident	78.5	Confident	66 Å²	66	74 Å²	74	29%	0.287	37%	0.368	S	S	.	.	H	α-helix	trans	-68	-47.2	173.2	-76.4	169.5	179.6	166.8	0	112	Y203 D298 K299 L300 T304 R305 D306	Y203-K302 HydrophobicContact CD2-CD 4.01Å; Y203-K302 HydrophobicContact CD2-CG 3.77Å; Y203-K302 HydrophobicContact CE1-CB 4.18Å; Y203-K302 HydrophobicContact CE1-CG 4.24Å; Y203-K302 HydrophobicContact CE2-CB 3.83Å; Y203-K302 HydrophobicContact CE2-CD 3.6Å; Y203-K302 HydrophobicContact CE2-CG 3.42Å; Y203-K302 VanDerWaalsContact CE2-CG 3.42Å; Y203-K302 HydrophobicContact CG-CG 4.33Å; Y203-K302 WeakPolarHBondContact OH-CB 3.24Å; D298-K302 WeakPolarHBondContact O-CB 3.47Å; D298-K302 WeakPolarHBondContact O-CD 3.24Å; D298-K302 WeakPolarHBondContact O-CG 3.36Å; D298-K302 PolarHBondContact O-N 3.03Å; D298-K302 WeakPolarHBondContact OD1-CE 3.31Å; D298-K302 IonicContact OD1-NZ 3.93Å; D298-K302 VanDerWaalsContact OD2-CE 3.25Å; D298-K302 WeakPolarHBondContact OD2-CE 3.47Å; D298-K302 IonicContact OD2-NZ 2.57Å; D298-K302 PolarHBondContact OD2-NZ 3.16Å; K299-K302 WeakPolarHBondContact O-CB 3.3Å; K299-K302 PolarHBondContact O-N 2.91Å; L300-K302 VanDerWaalsContact C-N 3.31Å; L300-K302 PolarHBondContact O-N 2.86Å; K302-T304 VanDerWaalsContact C-N 3.28Å; K302-T304 PolarHBondContact O-N 3.3Å; K302-R305 WeakPolarHBondContact O-CB 3.13Å; K302-R305 PolarHBondContact O-N 3.11Å; K302-R305 VanDerWaalsContact O-N 3.11Å; K302-D306 PolarHBondContact O-N 3.36Å
303	A	88	Confident	80.5	Confident	3 Å²	3	71.1 Å²	71.1	3%	0.025	36%	0.355	C	S	.	.	H	α-helix	trans	-60	-38.8	174.8	0	0	0	0	0	112	L269 L273 K299 L300 D306 S307	L269-A303 HydrophobicContact CD1-CB 4.02Å; L269-A303 VanDerWaalsContact CD1-O 3.26Å; L269-A303 WeakPolarHBondContact CD1-O 3.43Å; L273-A303 HydrophobicContact CD2-CB 3.9Å; L273-A303 HydrophobicContact CG-CB 4.49Å; K299-A303 PolarHBondContact O-N 3.17Å; L300-A303 PolarHBondContact O-N 3.4Å; A303-D306 PolarHBondContact O-N 2.86Å; A303-S307 WeakPolarHBondContact O-CB 3.37Å; A303-S307 PolarHBondContact O-N 3.39Å
304	T	89.8	Confident	82.4	Confident	83 Å²	83	67.6 Å²	67.6	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-62.7	-42.9	174.5	-56.9	0	0	0	0	111.4	L300 K302 S307 C308	L300-T304 WeakPolarHBondContact O-CB 3.28Å; L300-T304 PolarHBondContact O-N 3.14Å; L300-T304 PolarHBondContact O-OG1 3.34Å; K302-T304 VanDerWaalsContact C-N 3.28Å; K302-T304 PolarHBondContact O-N 3.3Å; T304-S307 PolarHBondContact O-N 3.36Å; T304-C308 WeakPolarHBondContact O-CB 3.31Å; T304-C308 PolarHBondContact O-N 3.17Å; T304-C308 PolarHBondContact O-SG 2.98Å
305	R	89.1	Confident	84.2	Confident	126 Å²	126	62.3 Å²	62.3	48%	0.475	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-44.2	175.4	-78.8	-176.3	-98.5	-172.7	-5.9	112.1	Y203 A301 K302 C308 K309	Y203-R305 HydrophobicContact CD1-CB 4.35Å; Y203-R305 HydrophobicContact CE1-CB 4.18Å; A301-R305 WeakPolarHBondContact O-CG 3.39Å; A301-R305 PolarHBondContact O-N 2.97Å; A301-R305 VanDerWaalsContact O-N 3.1Å; A301-R305 PolarHBondContact O-NE 3.1Å; K302-R305 WeakPolarHBondContact O-CB 3.13Å; K302-R305 PolarHBondContact O-N 3.11Å; K302-R305 VanDerWaalsContact O-N 3.11Å; R305-C308 PolarHBondContact O-N 3.4Å; R305-K309 WeakPolarHBondContact O-CB 3.27Å; R305-K309 PolarHBondContact O-N 3.44Å
306	D	90	Very high	85.6	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-44.3	176.3	-75	-10.6	0	0	0	111.6	Y203 T205 L269 K272 K302 A303 K309 T310	Y203-D306 WeakPolarHBondContact CE1-OD1 3.33Å; Y203-D306 PolarHBondContact OH-OD1 3.38Å; Y203-D306 PolarHBondContact OH-OD2 3.48Å; Y203-D306 VanDerWaalsContact OH-OD2 3.05Å; T205-D306 VanDerWaalsContact CB-OD1 3.25Å; T205-D306 WeakPolarHBondContact CB-OD1 3.32Å; T205-D306 HydrophobicContact CG2-CB 4.44Å; T205-D306 VanDerWaalsContact CG2-OD1 3.25Å; T205-D306 WeakPolarHBondContact CG2-OD1 3.49Å; T205-D306 PolarHBondContact OG1-OD1 2.88Å; L269-D306 HydrophobicContact CD1-CB 4.36Å; K272-D306 IonicContact NZ-OD2 3.77Å; K272-D306 PolarHBondContact NZ-OD2 2.93Å; K302-D306 PolarHBondContact O-N 3.36Å; A303-D306 PolarHBondContact O-N 2.86Å; D306-K309 PolarHBondContact O-N 3.28Å; D306-T310 PolarHBondContact O-N 3.06Å; D306-T310 PolarHBondContact O-OG1 3.02Å; D306-T310 VanDerWaalsContact O-OG1 3.08Å
307	S	92.5	Very high	87.2	Confident	46 Å²	46	60.8 Å²	60.8	32%	0.322	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-47.8	175.8	-175.8	0	0	0	0	112.8	A303 T304 K309 T310 T311	A303-S307 WeakPolarHBondContact O-CB 3.37Å; A303-S307 PolarHBondContact O-N 3.39Å; T304-S307 PolarHBondContact O-N 3.36Å; S307-K309 VanDerWaalsContact C-N 3.32Å; S307-K309 PolarHBondContact O-N 3.27Å; S307-T310 PolarHBondContact O-N 2.94Å; S307-T311 WeakPolarHBondContact O-CB 3.26Å; S307-T311 PolarHBondContact O-N 3.15Å; S307-T311 PolarHBondContact O-OG1 3.05Å
308	C	92.5	Very high	88.7	Confident	65 Å²	65	59.2 Å²	59.2	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-44.2	176.4	-74.4	0	0	0	0	111.3	T304 R305 T311 I312	T304-C308 WeakPolarHBondContact O-CB 3.31Å; T304-C308 PolarHBondContact O-N 3.17Å; T304-C308 PolarHBondContact O-SG 2.98Å; R305-C308 PolarHBondContact O-N 3.4Å; C308-T311 PolarHBondContact O-N 2.96Å; C308-I312 WeakPolarHBondContact O-CB 3.43Å; C308-I312 WeakPolarHBondContact O-CD1 3.44Å; C308-I312 WeakPolarHBondContact O-CG1 3.43Å; C308-I312 PolarHBondContact O-N 3.2Å
309	K	89.1	Confident	89.3	Confident	62 Å²	62	60.9 Å²	60.9	27%	0.27	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-52.8	178.5	-177	-174.4	174.6	-170.7	0	111.6	R305 D306 S307 T311 I312 E313	R305-K309 WeakPolarHBondContact O-CB 3.27Å; R305-K309 PolarHBondContact O-N 3.44Å; D306-K309 PolarHBondContact O-N 3.28Å; S307-K309 VanDerWaalsContact C-N 3.32Å; S307-K309 PolarHBondContact O-N 3.27Å; K309-T311 VanDerWaalsContact C-N 3.27Å; K309-T311 PolarHBondContact O-N 3.29Å; K309-I312 PolarHBondContact O-N 2.78Å; K309-E313 WeakPolarHBondContact CE-OE1 3.5Å; K309-E313 PolarHBondContact O-N 3.2Å
310	T	89.2	Confident	89.7	Confident	12 Å²	12	59.8 Å²	59.8	7%	0.074	32%	0.322	C	S	.	.	H	α-helix	trans	-58.9	-40.9	178.9	-55.4	0	0	0	0	111.5	T262 Q265 V266 D306 S307 E313 A314	T262-T310 HydrophobicContact CG2-CG2 4.09Å; Q265-T310 HydrophobicContact CB-CG2 4.13Å; V266-T310 HydrophobicContact CG2-CG2 4.25Å; D306-T310 PolarHBondContact O-N 3.06Å; D306-T310 PolarHBondContact O-OG1 3.02Å; D306-T310 VanDerWaalsContact O-OG1 3.08Å; S307-T310 PolarHBondContact O-N 2.94Å; T310-E313 PolarHBondContact O-N 2.97Å; T310-A314 PolarHBondContact O-N 3.48Å; T310-A314 VanDerWaalsContact O-N 3.07Å
311	T	91.6	Very high	90	Very high	70 Å²	70	59.7 Å²	59.7	43%	0.429	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-44.7	177.9	-58.2	0	0	0	0	112	S307 C308 K309 E313 A314 I315	S307-T311 WeakPolarHBondContact O-CB 3.26Å; S307-T311 PolarHBondContact O-N 3.15Å; S307-T311 PolarHBondContact O-OG1 3.05Å; C308-T311 PolarHBondContact O-N 2.96Å; K309-T311 VanDerWaalsContact C-N 3.27Å; K309-T311 PolarHBondContact O-N 3.29Å; T311-E313 PolarHBondContact O-N 3.31Å; T311-A314 PolarHBondContact O-N 2.89Å; T311-I315 HydrophobicContact CG2-CD1 3.74Å; T311-I315 HydrophobicContact CG2-CG1 4.38Å; T311-I315 WeakPolarHBondContact O-CB 3.39Å; T311-I315 VanDerWaalsContact O-CG1 3.27Å; T311-I315 WeakPolarHBondContact O-CG1 3.42Å; T311-I315 PolarHBondContact O-N 3.37Å
312	I	90.3	Very high	90.3	Very high	88 Å²	88	61.9 Å²	61.9	45%	0.451	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-43.8	177.9	-71.1	164.5	0	0	0	110.8	C308 K309 A314 I315 H316	C308-I312 WeakPolarHBondContact O-CB 3.43Å; C308-I312 WeakPolarHBondContact O-CD1 3.44Å; C308-I312 WeakPolarHBondContact O-CG1 3.43Å; C308-I312 PolarHBondContact O-N 3.2Å; K309-I312 PolarHBondContact O-N 2.78Å; I312-A314 PolarHBondContact O-N 3.45Å; I312-I315 PolarHBondContact O-N 2.79Å; I312-H316 VanDerWaalsContact CG2-CE1 3.47Å; I312-H316 WeakPolarHBondContact CG2-CE1 3.5Å; I312-H316 WeakPolarHBondContact O-CB 3.36Å; I312-H316 VanDerWaalsContact O-CG 3.3Å; I312-H316 PolarHBondContact O-N 3.06Å
313	E	88	Confident	90.5	Very high	38 Å²	38	63.1 Å²	63.1	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-44.1	177.9	-71.2	-179	-160.6	0	0	111.7	S177 K309 T310 T311 H316 G317	S177-E313 PolarHBondContact OG-OE2 2.92Å; K309-E313 WeakPolarHBondContact CE-OE1 3.5Å; K309-E313 PolarHBondContact O-N 3.2Å; T310-E313 PolarHBondContact O-N 2.97Å; T311-E313 PolarHBondContact O-N 3.31Å; E313-H316 PolarHBondContact O-N 3.42Å; E313-G317 PolarHBondContact O-N 3.13Å
314	A	89.6	Confident	90.6	Very high	29 Å²	29	64.5 Å²	64.5	24%	0.24	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-43.9	176.1	0	0	0	0	0	112.5	T310 T311 I312 G317 L318	T310-A314 PolarHBondContact O-N 3.48Å; T310-A314 VanDerWaalsContact O-N 3.07Å; T311-A314 PolarHBondContact O-N 2.89Å; I312-A314 PolarHBondContact O-N 3.45Å; A314-G317 PolarHBondContact O-N 2.85Å; A314-L318 WeakPolarHBondContact O-CG 3.18Å; A314-L318 PolarHBondContact O-N 3.17Å
315	I	91.6	Very high	90.7	Very high	81 Å²	81	63.5 Å²	63.5	42%	0.415	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-45.1	177.1	-70.8	171	0	0	0	110.7	T311 I312 G317 L318 M319	T311-I315 HydrophobicContact CG2-CD1 3.74Å; T311-I315 HydrophobicContact CG2-CG1 4.38Å; T311-I315 WeakPolarHBondContact O-CB 3.39Å; T311-I315 VanDerWaalsContact O-CG1 3.27Å; T311-I315 WeakPolarHBondContact O-CG1 3.42Å; T311-I315 PolarHBondContact O-N 3.37Å; I312-I315 PolarHBondContact O-N 2.79Å; I315-G317 VanDerWaalsContact C-N 3.28Å; I315-G317 PolarHBondContact O-N 3.03Å; I315-L318 PolarHBondContact O-N 3.23Å; I315-M319 HydrophobicContact CG2-CG 4.1Å; I315-M319 HydrophobicContact CG2-SD 3.76Å; I315-M319 WeakPolarHBondContact O-CB 3.29Å; I315-M319 VanDerWaalsContact O-CG 3.3Å; I315-M319 WeakPolarHBondContact O-CG 3.19Å; I315-M319 PolarHBondContact O-N 2.94Å
316	H	89.1	Confident	90.8	Very high	121 Å²	121	63 Å²	63	56%	0.56	34%	0.336	S	S	*	.	H	α-helix	trans	-58.5	-41.7	176	-75.1	171.2	0	0	0	112	I312 E313 S320	I312-H316 VanDerWaalsContact CG2-CE1 3.47Å; I312-H316 WeakPolarHBondContact CG2-CE1 3.5Å; I312-H316 WeakPolarHBondContact O-CB 3.36Å; I312-H316 VanDerWaalsContact O-CG 3.3Å; I312-H316 PolarHBondContact O-N 3.06Å; E313-H316 PolarHBondContact O-N 3.42Å; H316-S320 WeakPolarHBondContact O-CB 3.3Å; H316-S320 PolarHBondContact O-N 3.4Å
317	G	89.6	Confident	90.8	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-46.7	174.1	0	0	0	0	0	112.7	S254 E313 A314 I315 S320 Q321	S254-G317 VanDerWaalsContact OG-CA 3.32Å; S254-G317 WeakPolarHBondContact OG-CA 3.34Å; E313-G317 PolarHBondContact O-N 3.13Å; A314-G317 PolarHBondContact O-N 2.85Å; I315-G317 VanDerWaalsContact C-N 3.28Å; I315-G317 PolarHBondContact O-N 3.03Å; G317-S320 WeakPolarHBondContact O-CB 3.4Å; G317-S320 PolarHBondContact O-N 3.44Å; G317-Q321 PolarHBondContact O-N 2.76Å
318	L	91.9	Very high	90.6	Very high	102 Å²	102	71.1 Å²	71.1	53%	0.534	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-47.1	177.8	-72.5	168.1	0	0	0	111.9	L255 A314 I315 S320 Q321 V322	L255-L318 HydrophobicContact CD1-CD2 3.63Å; L255-L318 HydrophobicContact CD1-CG 3.94Å; L255-L318 HydrophobicContact CD2-CG 4.41Å; A314-L318 WeakPolarHBondContact O-CG 3.18Å; A314-L318 PolarHBondContact O-N 3.17Å; I315-L318 PolarHBondContact O-N 3.23Å; L318-S320 VanDerWaalsContact C-N 3.29Å; L318-S320 PolarHBondContact O-N 2.7Å; L318-Q321 PolarHBondContact O-N 3.5Å; L318-Q321 VanDerWaalsContact O-N 3.09Å; L318-V322 WeakPolarHBondContact O-CG2 3.29Å; L318-V322 PolarHBondContact O-N 2.96Å
319	M	92.2	Very high	90.4	Very high	103 Å²	103	73.1 Å²	73.1	51%	0.507	38%	0.375	S	S	.	.	H	α-helix	trans	-57.1	-43.5	177	-73.4	177.6	68.7	0	0	111.4	I315 Q321 V322 I323	I315-M319 HydrophobicContact CG2-CG 4.1Å; I315-M319 HydrophobicContact CG2-SD 3.76Å; I315-M319 WeakPolarHBondContact O-CB 3.29Å; I315-M319 VanDerWaalsContact O-CG 3.3Å; I315-M319 WeakPolarHBondContact O-CG 3.19Å; I315-M319 PolarHBondContact O-N 2.94Å; M319-Q321 VanDerWaalsContact C-N 3.31Å; M319-Q321 PolarHBondContact O-N 3.44Å; M319-V322 PolarHBondContact O-N 3.41Å; M319-I323 WeakPolarHBondContact O-CB 3.44Å; M319-I323 VanDerWaalsContact O-CG1 3.26Å; M319-I323 WeakPolarHBondContact O-CG1 3.46Å; M319-I323 PolarHBondContact O-N 3.15Å
320	S	90.8	Very high	90.3	Very high	45 Å²	45	73.5 Å²	73.5	32%	0.315	38%	0.378	S	S	.	.	H	α-helix	trans	-58.1	-42.6	176.3	-170.2	0	0	0	0	111.9	H316 G317 L318 K324	H316-S320 WeakPolarHBondContact O-CB 3.3Å; H316-S320 PolarHBondContact O-N 3.4Å; G317-S320 WeakPolarHBondContact O-CB 3.4Å; G317-S320 PolarHBondContact O-N 3.44Å; L318-S320 VanDerWaalsContact C-N 3.29Å; L318-S320 PolarHBondContact O-N 2.7Å; S320-K324 VanDerWaalsContact O-CG 3.22Å; S320-K324 WeakPolarHBondContact O-CG 3.25Å; S320-K324 PolarHBondContact O-N 2.94Å; S320-K324 WeakPolarHBondContact OG-CE 3.44Å
321	Q	91	Very high	89.5	Confident	66 Å²	66	78.2 Å²	78.2	31%	0.308	40%	0.402	S	S	.	.	H	α-helix	trans	-68.8	-41.8	177.9	-64.8	-54.3	-42	0	0	112.7	S253 L255 G317 L318 M319 I323 K324 D325	S253-Q321 VanDerWaalsContact CB-NE2 3.3Å; S253-Q321 PolarHBondContact OG-NE2 3.3Å; S253-Q321 VanDerWaalsContact OG-NE2 3.11Å; L255-Q321 HydrophobicContact CD1-CG 4.24Å; G317-Q321 PolarHBondContact O-N 2.76Å; L318-Q321 PolarHBondContact O-N 3.5Å; L318-Q321 VanDerWaalsContact O-N 3.09Å; M319-Q321 VanDerWaalsContact C-N 3.31Å; M319-Q321 PolarHBondContact O-N 3.44Å; Q321-I323 VanDerWaalsContact C-N 3.34Å; Q321-I323 PolarHBondContact O-N 3.44Å; Q321-K324 PolarHBondContact O-N 3.15Å; Q321-D325 PolarHBondContact O-N 2.92Å
322	V	92.6	Very high	88.5	Confident	89 Å²	89	82 Å²	82	54%	0.539	42%	0.419	S	S	.	.	H	α-helix	trans	-61.7	-43.2	176.4	173.6	0	0	0	0	111	L318 M319 D325 K326	L318-V322 WeakPolarHBondContact O-CG2 3.29Å; L318-V322 PolarHBondContact O-N 2.96Å; M319-V322 PolarHBondContact O-N 3.41Å; V322-D325 PolarHBondContact O-N 3.34Å; V322-K326 HydrophobicContact CG1-CG 4.47Å; V322-K326 WeakPolarHBondContact O-CB 3.16Å; V322-K326 VanDerWaalsContact O-CG 3.28Å; V322-K326 WeakPolarHBondContact O-CG 3.4Å; V322-K326 PolarHBondContact O-N 3.32Å
323	I	91.5	Very high	87.1	Confident	92 Å²	92	84.4 Å²	84.4	47%	0.472	43%	0.432	S	S	.	.	H	α-helix	trans	-62	-45.1	176.7	-69.9	165.9	0	0	0	110.5	M319 Q321 D325 K326 L327	M319-I323 WeakPolarHBondContact O-CB 3.44Å; M319-I323 VanDerWaalsContact O-CG1 3.26Å; M319-I323 WeakPolarHBondContact O-CG1 3.46Å; M319-I323 PolarHBondContact O-N 3.15Å; Q321-I323 VanDerWaalsContact C-N 3.34Å; Q321-I323 PolarHBondContact O-N 3.44Å; I323-D325 PolarHBondContact O-N 3.18Å; I323-K326 PolarHBondContact O-N 3.24Å; I323-L327 HydrophobicContact CG2-CD1 3.59Å; I323-L327 HydrophobicContact CG2-CG 4.21Å; I323-L327 WeakPolarHBondContact O-CB 3.34Å; I323-L327 WeakPolarHBondContact O-CG 3.46Å; I323-L327 PolarHBondContact O-N 3.38Å
324	K	91.1	Very high	85.5	Confident	32 Å²	32	90.5 Å²	90.5	14%	0.139	48%	0.479	C	S	.	.	H	α-helix	trans	-61.2	-44.8	177.6	-72.1	169.1	-168.6	-173.2	0	111.8	L250 S252 S320 Q321 K326 L327 F328	L250-K324 WeakPolarHBondContact O-CD 3.37Å; L250-K324 WeakPolarHBondContact O-CE 3.44Å; L250-K324 PolarHBondContact O-NZ 3.49Å; S252-K324 PolarHBondContact O-NZ 3.14Å; S320-K324 VanDerWaalsContact O-CG 3.22Å; S320-K324 WeakPolarHBondContact O-CG 3.25Å; S320-K324 PolarHBondContact O-N 2.94Å; S320-K324 WeakPolarHBondContact OG-CE 3.44Å; Q321-K324 PolarHBondContact O-N 3.15Å; K324-K326 PolarHBondContact O-N 3.22Å; K324-L327 PolarHBondContact O-N 3.07Å; K324-F328 HydrophobicContact CB-CD2 4.27Å; K324-F328 WeakPolarHBondContact O-CB 3.49Å; K324-F328 VanDerWaalsContact O-CD2 3.27Å; K324-F328 WeakPolarHBondContact O-CD2 3.48Å; K324-F328 PolarHBondContact O-N 3.03Å
325	D	90.7	Very high	85.3	Confident	62 Å²	62	93.6 Å²	93.6	33%	0.332	49%	0.491	S	S	.	.	I	π-helix	trans	-60.8	-46.2	177.8	-174.7	64.6	0	0	0	111.5	Q321 V322 I323 L327 N329 Q330	Q321-D325 PolarHBondContact O-N 2.92Å; V322-D325 PolarHBondContact O-N 3.34Å; I323-D325 PolarHBondContact O-N 3.18Å; D325-L327 PolarHBondContact O-N 3.34Å; D325-N329 WeakPolarHBondContact O-CA 3.38Å; D325-N329 WeakPolarHBondContact O-CB 3.47Å; D325-N329 PolarHBondContact O-N 3.39Å; D325-N329 WeakPolarHBondContact OD1-CB 3.42Å; D325-N329 PolarHBondContact OD1-ND2 2.98Å; D325-Q330 PolarHBondContact O-N 3.04Å; D325-Q330 PolarHBondContact OD2-NE2 2.95Å
326	K	91.6	Very high	85	Confident	116 Å²	116	94.3 Å²	94.3	50%	0.504	50%	0.495	S	S	.	.	I	π-helix	trans	-62.6	-42.3	177.1	-69.8	-73.7	169.8	-175.3	0	112.9	V322 I323 K324	V322-K326 HydrophobicContact CG1-CG 4.47Å; V322-K326 WeakPolarHBondContact O-CB 3.16Å; V322-K326 VanDerWaalsContact O-CG 3.28Å; V322-K326 WeakPolarHBondContact O-CG 3.4Å; V322-K326 PolarHBondContact O-N 3.32Å; I323-K326 PolarHBondContact O-N 3.24Å; K324-K326 PolarHBondContact O-N 3.22Å
327	L	90.1	Very high	84.8	Confident	92 Å²	92	92.8 Å²	92.8	48%	0.482	49%	0.491	S	S	.	.	I	π-helix	trans	-78.6	-28.7	-177.4	-73	176.5	0	0	0	114	I323 K324 D325 I331	I323-L327 HydrophobicContact CG2-CD1 3.59Å; I323-L327 HydrophobicContact CG2-CG 4.21Å; I323-L327 WeakPolarHBondContact O-CB 3.34Å; I323-L327 WeakPolarHBondContact O-CG 3.46Å; I323-L327 PolarHBondContact O-N 3.38Å; K324-L327 PolarHBondContact O-N 3.07Å; D325-L327 PolarHBondContact O-N 3.34Å; L327-I331 WeakPolarHBondContact O-CD1 3.19Å; L327-I331 VanDerWaalsContact O-CG1 3.23Å; L327-I331 WeakPolarHBondContact O-CG1 3.47Å
328	F	89.2	Confident	84.5	Confident	129 Å²	129	98.2 Å²	98.2	57%	0.566	52%	0.52	S	S	*	.	I	π-helix	trans	-115.2	-30.9	-171.8	-62.4	-67	0	0	0	113.7	L250 K324	L250-F328 HydrophobicContact CD1-CZ 4.2Å; K324-F328 HydrophobicContact CB-CD2 4.27Å; K324-F328 WeakPolarHBondContact O-CB 3.49Å; K324-F328 VanDerWaalsContact O-CD2 3.27Å; K324-F328 WeakPolarHBondContact O-CD2 3.48Å; K324-F328 PolarHBondContact O-N 3.03Å
329	N	88.4	Confident	84	Confident	106 Å²	106	98 Å²	98	57%	0.567	52%	0.519	S	S	*	.	I	π-helix	trans	-100.8	-23.6	-175.2	-59.4	-27	0	0	0	112.9	D325 I333	D325-N329 WeakPolarHBondContact O-CA 3.38Å; D325-N329 WeakPolarHBondContact O-CB 3.47Å; D325-N329 PolarHBondContact O-N 3.39Å; D325-N329 WeakPolarHBondContact OD1-CB 3.42Å; D325-N329 PolarHBondContact OD1-ND2 2.98Å; N329-I333 WeakPolarHBondContact O-CD1 3.04Å
330	Q	85.5	Confident	83.5	Confident	70 Å²	70	97.7 Å²	97.7	33%	0.327	52%	0.52	S	S	.	.	S	Bend	trans	-106.4	-2.8	-172.4	-56.9	-167.2	16	0	0	115.4	D325 N332 I333	D325-Q330 PolarHBondContact O-N 3.04Å; D325-Q330 PolarHBondContact OD2-NE2 2.95Å; Q330-N332 PolarHBondContact O-N 3.28Å; Q330-N332 VanDerWaalsContact O-N 3.17Å; Q330-I333 HydrophobicContact CG-CD1 4.5Å; Q330-I333 PolarHBondContact O-N 2.85Å
331	I	74.2	Confident	82.9	Confident	111 Å²	111	101.4 Å²	101.4	57%	0.569	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.2	-176.3	-72.8	-172	0	0	0	113.3	L327	L327-I331 WeakPolarHBondContact O-CD1 3.19Å; L327-I331 VanDerWaalsContact O-CG1 3.23Å; L327-I331 WeakPolarHBondContact O-CG1 3.47Å
332	N	69.1	Low	82.3	Confident	149 Å²	149	104.2 Å²	104.2	80%	0.797	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	14.8	-178.5	-63.1	-31.4	0	0	0	113.7	Q330 S334	Q330-N332 PolarHBondContact O-N 3.28Å; Q330-N332 VanDerWaalsContact O-N 3.17Å; N332-S334 VanDerWaalsContact C-N 3.31Å
333	I	62.4	Low	81.5	Confident	140 Å²	140	105.4 Å²	105.4	72%	0.718	55%	0.553	S	S	*	*			trans	-93.2	12	179.4	-56	179.5	0	0	0	111.6	N329 Q330	N329-I333 WeakPolarHBondContact O-CD1 3.04Å; Q330-I333 HydrophobicContact CG-CD1 4.5Å; Q330-I333 PolarHBondContact O-N 2.85Å
334	S	53.8	Low	80.6	Confident	166 Å²	166	106.6 Å²	106.6	100%	1.161	56%	0.56	S	S	*	*			trans	-117.5	0	164.1	70	0	0	0	0	110.8	N332	N332-S334 VanDerWaalsContact C-N 3.31Å

Retrieved 334 of 334 residues in 1016.1 ms (Link to these results)

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