A0A087YP30_POEFO Loading...

Metalloprotease TIKI

Metalloprotease that acts as a negative regulator of the Wnt signaling pathway by mediating the cleavage of the N-terminal residues of a subset of Wnt proteins. Following cleavage, Wnt proteins become oxidized and form large disulfide-bond oligomers, leading to their inactivation.

AlphaFold DB , UniProt , Accession A0A087YP30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 518 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	48.6	Very low	56.5	Low	219 Å²	219	111.9 Å²	111.9	100%	1.079	63%	0.634	S	S	*	*				0	7.1	0	-71.5	176.8	69.4	0	0	114.6	T4	M1-T4 PolarHBondContact O-OG1 3.23Å
2	Q	47.2	Very low	57.4	Low	186 Å²	186	107.3 Å²	107.3	87%	0.869	61%	0.613	S	S	*	*			trans	-90.5	-28.1	178.2	-80.7	171.5	-26.5	0	0	114.2	T4	Q2-T4 PolarHBondContact O-N 3.48Å
3	G	49.2	Very low	57.9	Low	66 Å²	66	106.8 Å²	106.8	68%	0.68	61%	0.606	S	S	*	*	H	α-helix	trans	-71.9	-27.2	179.6	0	0	0	0	0	114.6	A7	G3-A7 PolarHBondContact O-N 3.27Å
4	T	52.2	Low	58.6	Low	101 Å²	101	105.4 Å²	105.4	62%	0.62	60%	0.595	S	S	*	*	H	α-helix	trans	-79.7	-29.5	-177.5	49.4	0	0	0	0	112.9	M1 Q2 F8	M1-T4 PolarHBondContact O-OG1 3.23Å; Q2-T4 PolarHBondContact O-N 3.48Å; T4-F8 PolarHBondContact O-N 3.47Å
5	L	51	Low	58.5	Low	119 Å²	119	105.4 Å²	105.4	62%	0.623	59%	0.592	S	S	*	*	H	α-helix	trans	-75.2	-39.6	179.2	-158.7	77.4	0	0	0	111.7	F8 I9	L5-F8 PolarHBondContact O-N 3.21Å; L5-I9 HydrophobicContact CG-CD1 4.34Å; L5-I9 WeakPolarHBondContact O-CG1 3.45Å; L5-I9 PolarHBondContact O-N 3.38Å
6	G	53.2	Low	58.4	Low	38 Å²	38	106.2 Å²	106.2	39%	0.392	59%	0.594	S	S	.	*	H	α-helix	trans	-62.4	-43	174.9	0	0	0	0	0	112.5	F8 I9 Q10	G6-F8 VanDerWaalsContact C-N 3.31Å; G6-F8 PolarHBondContact O-N 2.88Å; G6-I9 PolarHBondContact O-N 3.3Å; G6-Q10 WeakPolarHBondContact O-CB 3.38Å; G6-Q10 PolarHBondContact O-N 2.97Å
7	A	57.3	Low	58.1	Low	60 Å²	60	104.6 Å²	104.6	50%	0.496	59%	0.587	S	S	.	*	H	α-helix	trans	-63.6	-35.6	175.2	0	0	0	0	0	112.6	G3 S11	G3-A7 PolarHBondContact O-N 3.27Å; A7-S11 VanDerWaalsContact O-CB 3.24Å; A7-S11 WeakPolarHBondContact O-CB 3.41Å; A7-S11 PolarHBondContact O-N 2.87Å
8	F	63.9	Low	57.7	Low	149 Å²	149	107 Å²	107	65%	0.654	59%	0.586	S	S	*	*	H	α-helix	trans	-69.8	-42.4	178	-129.8	-89.1	0	0	0	112.4	T4 L5 G6 S11 C12	T4-F8 PolarHBondContact O-N 3.47Å; L5-F8 PolarHBondContact O-N 3.21Å; G6-F8 VanDerWaalsContact C-N 3.31Å; G6-F8 PolarHBondContact O-N 2.88Å; F8-S11 PolarHBondContact O-N 3.39Å; F8-C12 WeakPolarHBondContact O-CB 3.33Å; F8-C12 PolarHBondContact O-N 3.2Å; F8-C12 PolarHBondContact O-SG 3.38Å
9	I	68.3	Low	57.2	Low	97 Å²	97	104.1 Å²	104.1	50%	0.497	58%	0.577	S	S	.	*	H	α-helix	trans	-66.6	-42.3	178	-67	167.3	0	0	0	110.5	L5 G6 C12 L13	L5-I9 HydrophobicContact CG-CD1 4.34Å; L5-I9 WeakPolarHBondContact O-CG1 3.45Å; L5-I9 PolarHBondContact O-N 3.38Å; G6-I9 PolarHBondContact O-N 3.3Å; I9-C12 PolarHBondContact O-N 2.92Å; I9-L13 HydrophobicContact CG2-CD1 4.01Å; I9-L13 WeakPolarHBondContact O-CB 3.22Å; I9-L13 PolarHBondContact O-N 2.79Å
10	Q	65.1	Low	56.4	Low	132 Å²	132	104.2 Å²	104.2	62%	0.617	58%	0.577	S	S	*	*	H	α-helix	trans	-67.3	-38.1	178.2	-159.1	166.5	-0.2	0	0	111.7	G6 L13 I14	G6-Q10 WeakPolarHBondContact O-CB 3.38Å; G6-Q10 PolarHBondContact O-N 2.97Å; Q10-L13 PolarHBondContact O-N 3Å; Q10-I14 HydrophobicContact CG-CD1 4.41Å; Q10-I14 WeakPolarHBondContact O-CB 3.38Å; Q10-I14 WeakPolarHBondContact O-CD1 3.3Å; Q10-I14 WeakPolarHBondContact O-CG1 2.91Å; Q10-I14 PolarHBondContact O-N 3.42Å
11	S	65.2	Low	55.7	Low	64 Å²	64	104.9 Å²	104.9	45%	0.448	58%	0.576	S	S	.	*	H	α-helix	trans	-68.2	-37.1	174	-154.7	0	0	0	0	112.3	A7 F8 I14 L15	A7-S11 VanDerWaalsContact O-CB 3.24Å; A7-S11 WeakPolarHBondContact O-CB 3.41Å; A7-S11 PolarHBondContact O-N 2.87Å; F8-S11 PolarHBondContact O-N 3.39Å; S11-I14 PolarHBondContact O-N 3.05Å; S11-L15 WeakPolarHBondContact O-CB 3.43Å; S11-L15 VanDerWaalsContact O-CG 3.25Å; S11-L15 WeakPolarHBondContact O-CG 3.39Å; S11-L15 PolarHBondContact O-N 3.18Å
12	C	67.4	Low	55.1	Low	56 Å²	56	103.5 Å²	103.5	38%	0.378	56%	0.558	S	S	.	*	H	α-helix	trans	-67.6	-40	173.5	-70.6	0	0	0	0	112.5	F8 I9 L15 L16	F8-C12 WeakPolarHBondContact O-CB 3.33Å; F8-C12 PolarHBondContact O-N 3.2Å; F8-C12 PolarHBondContact O-SG 3.38Å; I9-C12 PolarHBondContact O-N 2.92Å; C12-L15 PolarHBondContact O-N 2.95Å; C12-L16 WeakPolarHBondContact O-CB 3.36Å; C12-L16 VanDerWaalsContact O-CG 3.24Å; C12-L16 WeakPolarHBondContact O-CG 3.33Å; C12-L16 PolarHBondContact O-N 2.78Å
13	L	64.8	Low	54.5	Low	101 Å²	101	104.7 Å²	104.7	53%	0.529	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-41.8	173.6	-90.5	154.4	0	0	0	111.7	I9 Q10 L15 L16 V17	I9-L13 HydrophobicContact CG2-CD1 4.01Å; I9-L13 WeakPolarHBondContact O-CB 3.22Å; I9-L13 PolarHBondContact O-N 2.79Å; Q10-L13 PolarHBondContact O-N 3Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L16 PolarHBondContact O-N 2.95Å; L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.25Å; L13-V17 WeakPolarHBondContact O-CG2 3.19Å; L13-V17 PolarHBondContact O-N 3.06Å
14	I	66.6	Low	54.1	Low	88 Å²	88	107.4 Å²	107.4	45%	0.451	55%	0.553	S	S	.	*	H	α-helix	trans	-65.7	-38.2	175	-68	164.1	0	0	0	111	Q10 S11 R18	Q10-I14 HydrophobicContact CG-CD1 4.41Å; Q10-I14 WeakPolarHBondContact O-CB 3.38Å; Q10-I14 WeakPolarHBondContact O-CD1 3.3Å; Q10-I14 WeakPolarHBondContact O-CG1 2.91Å; Q10-I14 PolarHBondContact O-N 3.42Å; S11-I14 PolarHBondContact O-N 3.05Å; I14-R18 VanDerWaalsContact O-CB 3.24Å; I14-R18 WeakPolarHBondContact O-CB 3.37Å; I14-R18 WeakPolarHBondContact O-CG 3.41Å; I14-R18 PolarHBondContact O-N 3.38Å
15	L	58.2	Low	53.4	Low	105 Å²	105	109.7 Å²	109.7	55%	0.55	56%	0.555	S	S	.	*	H	α-helix	trans	-69.7	-35.1	175.5	-76.5	167.7	0	0	0	112.5	S11 C12 L13 A19	S11-L15 WeakPolarHBondContact O-CB 3.43Å; S11-L15 VanDerWaalsContact O-CG 3.25Å; S11-L15 WeakPolarHBondContact O-CG 3.39Å; S11-L15 PolarHBondContact O-N 3.18Å; C12-L15 PolarHBondContact O-N 2.95Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L15-A19 WeakPolarHBondContact O-CB 3.4Å; L15-A19 PolarHBondContact O-N 3.45Å
16	L	56.3	Low	52.9	Low	118 Å²	118	111.8 Å²	111.8	62%	0.618	57%	0.566	S	S	*	*	H	α-helix	trans	-70.9	-43.5	174.6	-74.6	168	0	0	0	111.4	C12 L13 R18 A19 D20	C12-L16 WeakPolarHBondContact O-CB 3.36Å; C12-L16 VanDerWaalsContact O-CG 3.24Å; C12-L16 WeakPolarHBondContact O-CG 3.33Å; C12-L16 PolarHBondContact O-N 2.78Å; L13-L16 PolarHBondContact O-N 2.95Å; L16-R18 VanDerWaalsContact C-N 3.33Å; L16-R18 PolarHBondContact O-N 3.32Å; L16-A19 PolarHBondContact O-N 3.16Å; L16-D20 WeakPolarHBondContact O-CB 3.3Å; L16-D20 PolarHBondContact O-N 3.1Å
17	V	53.9	Low	52.4	Low	80 Å²	80	114.5 Å²	114.5	49%	0.485	58%	0.579	S	S	.	*	H	α-helix	trans	-64.6	-37.9	173.5	172	0	0	0	0	111.2	L13 Q21	L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.25Å; L13-V17 WeakPolarHBondContact O-CG2 3.19Å; L13-V17 PolarHBondContact O-N 3.06Å; V17-Q21 VanDerWaalsContact O-CB 3.32Å; V17-Q21 WeakPolarHBondContact O-CB 3.46Å; V17-Q21 WeakPolarHBondContact O-CG 3.48Å; V17-Q21 PolarHBondContact O-N 2.91Å
18	R	49.9	Very low	52.3	Low	147 Å²	147	114.9 Å²	114.9	56%	0.555	58%	0.579	S	S	*	*	H	α-helix	trans	-69.1	-36.1	171.6	-82.9	-177.2	169.3	164.5	-1.7	112.4	I14 L16 Q21 W22	I14-R18 VanDerWaalsContact O-CB 3.24Å; I14-R18 WeakPolarHBondContact O-CB 3.37Å; I14-R18 WeakPolarHBondContact O-CG 3.41Å; I14-R18 PolarHBondContact O-N 3.38Å; L16-R18 VanDerWaalsContact C-N 3.33Å; L16-R18 PolarHBondContact O-N 3.32Å; R18-Q21 CarbonylContact O-C 3.59Å; R18-Q21 PolarHBondContact O-N 2.93Å; R18-W22 VanDerWaalsContact O-CB 3.24Å; R18-W22 WeakPolarHBondContact O-CB 3.39Å; R18-W22 VanDerWaalsContact O-CG 3.31Å; R18-W22 PolarHBondContact O-N 3.14Å
19	A	47.9	Very low	51.8	Low	51 Å²	51	112.1 Å²	112.1	42%	0.421	58%	0.578	S	S	.	*	H	α-helix	trans	-70.1	-34	176.4	0	0	0	0	0	112	L15 L16 W22 R23	L15-A19 WeakPolarHBondContact O-CB 3.4Å; L15-A19 PolarHBondContact O-N 3.45Å; L16-A19 PolarHBondContact O-N 3.16Å; A19-W22 PolarHBondContact O-N 2.66Å; A19-R23 WeakPolarHBondContact O-CB 3.35Å; A19-R23 PolarHBondContact O-N 3.35Å
20	D	42.7	Very low	51.6	Low	107 Å²	107	109.5 Å²	109.5	57%	0.572	57%	0.567	S	S	*	*	H	α-helix	trans	-71.4	-42.1	171.8	-120.7	10.1	0	0	0	111.3	L16 W22 R23 L24	L16-D20 WeakPolarHBondContact O-CB 3.3Å; L16-D20 PolarHBondContact O-N 3.1Å; D20-W22 VanDerWaalsContact C-N 3.3Å; D20-W22 PolarHBondContact O-N 3.43Å; D20-R23 PolarHBondContact O-N 2.99Å; D20-L24 WeakPolarHBondContact O-CB 3.42Å; D20-L24 WeakPolarHBondContact O-CG 3.48Å; D20-L24 PolarHBondContact O-N 3Å
21	Q	40.8	Very low	51.1	Low	119 Å²	119	111.3 Å²	111.3	56%	0.556	58%	0.576	S	S	*	*	H	α-helix	trans	-62.8	-35.3	170.4	-80.7	179.6	-12.2	0	0	112.1	V17 R18 K25	V17-Q21 VanDerWaalsContact O-CB 3.32Å; V17-Q21 WeakPolarHBondContact O-CB 3.46Å; V17-Q21 WeakPolarHBondContact O-CG 3.48Å; V17-Q21 PolarHBondContact O-N 2.91Å; R18-Q21 CarbonylContact O-C 3.59Å; R18-Q21 PolarHBondContact O-N 2.93Å; Q21-K25 WeakPolarHBondContact O-CB 3.42Å; Q21-K25 PolarHBondContact O-N 2.84Å
22	W	36	Very low	50.5	Low	189 Å²	189	112 Å²	112	72%	0.716	57%	0.574	S	S	*	*	H	α-helix	trans	-76.2	-33	176.4	-81.5	46.7	0	0	0	112.3	R18 A19 D20 K25 D26	R18-W22 VanDerWaalsContact O-CB 3.24Å; R18-W22 WeakPolarHBondContact O-CB 3.39Å; R18-W22 VanDerWaalsContact O-CG 3.31Å; R18-W22 PolarHBondContact O-N 3.14Å; A19-W22 PolarHBondContact O-N 2.66Å; D20-W22 VanDerWaalsContact C-N 3.3Å; D20-W22 PolarHBondContact O-N 3.43Å; W22-K25 PolarHBondContact O-N 2.97Å; W22-D26 PolarHBondContact O-N 3.22Å
23	R	35.6	Very low	49.6	Very low	211 Å²	211	115.6 Å²	115.6	80%	0.796	60%	0.6	S	S	*	*	H	α-helix	trans	-68.5	-32.6	171.1	-89.1	-174.7	178.4	-125.9	0.9	113	A19 D20	A19-R23 WeakPolarHBondContact O-CB 3.35Å; A19-R23 PolarHBondContact O-N 3.35Å; D20-R23 PolarHBondContact O-N 2.99Å
24	L	40.5	Very low	49	Very low	124 Å²	124	118.1 Å²	118.1	65%	0.649	60%	0.602	S	S	*	*	H	α-helix	trans	-75	-30.3	171.6	-76.8	160.9	0	0	0	112.1	D20 S27	D20-L24 WeakPolarHBondContact O-CB 3.42Å; D20-L24 WeakPolarHBondContact O-CG 3.48Å; D20-L24 PolarHBondContact O-N 3Å; L24-S27 PolarHBondContact O-OG 3.17Å; L24-S27 VanDerWaalsContact O-OG 3.04Å
25	K	36.8	Very low	48.6	Very low	148 Å²	148	121.8 Å²	121.8	64%	0.643	62%	0.615	S	S	*	*	H	α-helix	trans	-81.3	-17.6	-174.6	-161	168.4	-171.6	178.5	0	115.2	Q21 W22 S27 S28	Q21-K25 WeakPolarHBondContact O-CB 3.42Å; Q21-K25 PolarHBondContact O-N 2.84Å; W22-K25 PolarHBondContact O-N 2.97Å; K25-S27 PolarHBondContact O-N 3.31Å; K25-S28 WeakPolarHBondContact CA-OG 3.49Å; K25-S28 PolarHBondContact O-N 3.21Å; K25-S28 PolarHBondContact O-OG 3Å
26	D	39.8	Very low	48.3	Very low	163 Å²	163	122.7 Å²	122.7	87%	0.872	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	3.9	174.3	-104	-7.6	0	0	0	113.9	W22	W22-D26 PolarHBondContact O-N 3.22Å
27	S	44.3	Very low	48.3	Very low	95 Å²	95	119.7 Å²	119.7	66%	0.664	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	2.3	166.8	74	0	0	0	0	113.6	L24 K25	L24-S27 PolarHBondContact O-OG 3.17Å; L24-S27 VanDerWaalsContact O-OG 3.04Å; K25-S27 PolarHBondContact O-N 3.31Å
28	S	53.6	Low	48.4	Very low	69 Å²	69	119.9 Å²	119.9	48%	0.483	61%	0.607	S	S	.	*			trans	-131.3	87.8	-165.9	65.4	0	0	0	0	113.2	K25	K25-S28 WeakPolarHBondContact CA-OG 3.49Å; K25-S28 PolarHBondContact O-N 3.21Å; K25-S28 PolarHBondContact O-OG 3Å
29	S	54.1	Low	49.1	Very low	91 Å²	91	114.6 Å²	114.6	64%	0.636	59%	0.59	S	S	*	*				-171.3	116	119.4	63.5	0	0	0	0	108.7	E31	S29-E31 PolarHBondContact O-N 2.85Å; S29-E31 VanDerWaalsContact O-N 3.1Å
30	C	63.2	Low	50.1	Low	41 Å²	41	115.1 Å²	115.1	28%	0.277	59%	0.585	S	S	.	*			trans	-51.4	120	147.5	-61.7	0	0	0	0	105.7	L32 C257	C30-L32 HydrophobicContact CB-CB 4.34Å; C30-L32 PolarHBondContact O-N 3.17Å; C30-C257 HydrophobicContact CB-CB 3.89Å; C30-C257 WeakPolarHBondContact CB-SG 3.38Å; C30-C257 WeakPolarHBondContact SG-CA 3.25Å; C30-C257 WeakPolarHBondContact SG-CB 3.49Å; C30-C257 CovalentContact SG-SG 2.04Å; C30-C257 PolarHBondContact SG-SG 3.06Å
31	E	55	Low	52	Low	170 Å²	170	110.1 Å²	110.1	79%	0.794	56%	0.559	S	S	*	*	S	Bend	trans	-70.1	35.3	170.7	-70.3	-177.1	154.9	0	0	110.7	S29	S29-E31 PolarHBondContact O-N 2.85Å; S29-E31 VanDerWaalsContact O-N 3.1Å
32	L	53.4	Low	54.5	Low	79 Å²	79	104.8 Å²	104.8	41%	0.414	53%	0.534	S	S	.	.			trans	-104.5	112.2	169.2	-63.9	171.9	0	0	0	104.3	C30 R34 C257	C30-L32 HydrophobicContact CB-CB 4.34Å; C30-L32 PolarHBondContact O-N 3.17Å; L32-R34 HydrophobicContact CB-CB 4.42Å; L32-R34 PolarHBondContact O-N 3.46Å; L32-C257 HydrophobicContact CD1-CB 4.05Å; L32-C257 VanDerWaalsContact CD1-O 3.31Å; L32-C257 WeakPolarHBondContact CD1-O 3.42Å
33	S	47.7	Very low	57.3	Low	131 Å²	131	95.8 Å²	95.8	92%	0.916	50%	0.5	S	S	*	.			trans	-63.6	25.7	177.8	53.6	0	0	0	0	114.5
34	R	53.7	Low	60.2	Low	154 Å²	154	86.4 Å²	86.4	58%	0.581	47%	0.465	S	S	*	.			trans	-111.5	140	-159.3	-85.2	-173.3	-173.2	-172.5	4.5	111	L32 D38	L32-R34 HydrophobicContact CB-CB 4.42Å; L32-R34 PolarHBondContact O-N 3.46Å; R34-D38 HydrophobicContact CB-CB 3.79Å; R34-D38 HydrophobicContact CG-CB 4.01Å
35	K	56.3	Low	62.9	Low	165 Å²	165	81.4 Å²	81.4	72%	0.717	44%	0.439	S	S	*	.			trans	-66	158.1	176.4	-68.8	178.6	178.5	176.5	0	108.7	A37 D38	K35-A37 PolarHBondContact O-N 3.25Å; K35-D38 PolarHBondContact N-OD2 3.25Å; K35-D38 WeakPolarHBondContact O-CA 3.48Å; K35-D38 WeakPolarHBondContact O-CB 3.22Å; K35-D38 PolarHBondContact O-N 2.77Å
36	Q	53.6	Low	65.8	Low	124 Å²	124	74.4 Å²	74.4	58%	0.579	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-55.7	-26	177.8	-169.7	167.6	6.5	0	0	113.1	D38 L39 A354	Q36-D38 VanDerWaalsContact C-N 3.27Å; Q36-D38 PolarHBondContact O-N 3Å; Q36-L39 HydrophobicContact CG-CD1 4.27Å; Q36-L39 PolarHBondContact O-N 3.19Å; Q36-A354 WeakPolarHBondContact O-CB 3.44Å
37	A	54.8	Low	68.4	Low	56 Å²	56	70.6 Å²	70.6	46%	0.463	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-69.6	-19.3	173	0	0	0	0	0	114.6	K35 A354	K35-A37 PolarHBondContact O-N 3.25Å; A37-A354 WeakPolarHBondContact CA-O 3.44Å
38	D	57	Low	70.8	Confident	84 Å²	84	68.7 Å²	68.7	45%	0.449	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-99.3	0.9	-178.8	-54.4	-40.3	0	0	0	112.2	R34 K35 Q36	R34-D38 HydrophobicContact CB-CB 3.79Å; R34-D38 HydrophobicContact CG-CB 4.01Å; K35-D38 PolarHBondContact N-OD2 3.25Å; K35-D38 WeakPolarHBondContact O-CA 3.48Å; K35-D38 WeakPolarHBondContact O-CB 3.22Å; K35-D38 PolarHBondContact O-N 2.77Å; Q36-D38 VanDerWaalsContact C-N 3.27Å; Q36-D38 PolarHBondContact O-N 3Å
39	L	63.4	Low	72.7	Confident	36 Å²	36	71.5 Å²	71.5	19%	0.188	37%	0.372	C	S	.	.	S	Bend	trans	-78.1	135.1	171.2	-61.1	176.2	0	0	0	108.5	Q36 S41 C257 A354	Q36-L39 HydrophobicContact CG-CD1 4.27Å; Q36-L39 PolarHBondContact O-N 3.19Å; L39-S41 PolarHBondContact O-N 2.93Å; L39-S41 VanDerWaalsContact O-N 3.13Å; L39-C257 WeakPolarHBondContact CD2-O 3.46Å; L39-A354 VanDerWaalsContact O-CB 3.23Å; L39-A354 WeakPolarHBondContact O-CB 3.47Å
40	N	69.1	Low	74.6	Confident	61 Å²	61	67.9 Å²	67.9	33%	0.326	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-68.2	117.3	173.7	-59.9	-48.8	0	0	0	108.1	G258 L260	N40-G258 VanDerWaalsContact CB-O 3.31Å; N40-G258 WeakPolarHBondContact CB-O 3.29Å; N40-G258 PolarHBondContact ND2-O 3.32Å; N40-G258 WeakPolarHBondContact O-CA 3.4Å; N40-L260 HydrophobicContact CB-CD1 3.95Å; N40-L260 HydrophobicContact CB-CD2 4Å; N40-L260 HydrophobicContact CB-CG 3.87Å
41	S	84.3	Confident	76.1	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.014	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-66.2	155.5	164.1	66	0	0	0	0	108.9	L39 L43 H351 T352	L39-S41 PolarHBondContact O-N 2.93Å; L39-S41 VanDerWaalsContact O-N 3.13Å; S41-L43 PolarHBondContact O-N 2.72Å; S41-L43 PolarHBondContact OG-N 2.91Å; S41-H351 PolarHBondContact O-NE2 2.9Å; S41-H351 PolarHBondContact OG-NE2 2.69Å; S41-T352 WeakPolarHBondContact CB-O 3.03Å; S41-T352 PolarHBondContact OG-O 3.4Å
42	F	92.8	Very high	78.2	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.031	30%	0.301	C	S	.	.	S	Bend	trans	-92.2	42.3	165.2	-69.9	-98.3	0	0	0	109.7	W44 Y55 G56 Y255 L260 F265 A329 L333	F42-W44 HydrophobicContact CB-CH2 4.3Å; F42-W44 HydrophobicContact CB-CZ3 4.1Å; F42-W44 HydrophobicContact CD1-CH2 4.21Å; F42-W44 WeakPolarHBondContact O-CZ3 3.34Å; F42-Y55 CarbonylContact O-C 3.53Å; F42-Y55 VanDerWaalsContact O-CA 3.26Å; F42-Y55 WeakPolarHBondContact O-CA 3.47Å; F42-Y55 WeakPolarHBondContact O-CD2 3.26Å; F42-G56 WeakPolarHBondContact CB-O 3.28Å; F42-G56 PolarHBondContact O-N 2.75Å; F42-Y255 HydrophobicContact CB-CE2 4.26Å; F42-Y255 HydrophobicContact CD1-CD2 4.4Å; F42-Y255 HydrophobicContact CD1-CE2 4.09Å; F42-Y255 AromaticContact CD2-CD2 3.8Å; F42-Y255 HydrophobicContact CD2-CD2 3.8Å; F42-Y255 AromaticContact CD2-CE2 3.54Å; F42-Y255 HydrophobicContact CD2-CE2 3.54Å; F42-Y255 HydrophobicContact CD2-CG 4.48Å; F42-Y255 HydrophobicContact CE1-CD2 4.16Å; F42-Y255 HydrophobicContact CE1-CE2 4.32Å; F42-Y255 AromaticContact CE2-CD2 3.55Å; F42-Y255 HydrophobicContact CE2-CD2 3.55Å; F42-Y255 AromaticContact CE2-CE2 3.83Å; F42-Y255 HydrophobicContact CE2-CE2 3.83Å; F42-Y255 HydrophobicContact CE2-CG 4.09Å; F42-Y255 HydrophobicContact CG-CD2 4.23Å; F42-Y255 AromaticContact CG-CE2 3.7Å; F42-Y255 HydrophobicContact CG-CE2 3.7Å; F42-Y255 AromaticContact CZ-CD2 3.75Å; F42-Y255 HydrophobicContact CZ-CD2 3.75Å; F42-Y255 HydrophobicContact CZ-CE2 4.21Å; F42-L260 HydrophobicContact CD1-CD2 4.15Å; F42-L260 HydrophobicContact CE1-CD2 3.64Å; F42-L260 HydrophobicContact CE2-CD2 4.33Å; F42-L260 HydrophobicContact CZ-CD2 3.73Å; F42-F265 HydrophobicContact CE1-CD1 4.44Å; F42-F265 HydrophobicContact CE1-CD2 4.4Å; F42-F265 HydrophobicContact CE1-CE1 4.1Å; F42-F265 HydrophobicContact CE1-CE2 4.08Å; F42-F265 AromaticContact CE1-CZ 3.91Å; F42-F265 HydrophobicContact CE1-CZ 3.91Å; F42-F265 AromaticContact CZ-CE1 3.97Å; F42-F265 HydrophobicContact CZ-CE1 3.97Å; F42-F265 AromaticContact CZ-CE2 3.95Å; F42-F265 HydrophobicContact CZ-CE2 3.95Å; F42-F265 AromaticContact CZ-CZ 3.52Å; F42-F265 HydrophobicContact CZ-CZ 3.52Å; F42-A329 HydrophobicContact CD1-CB 3.75Å; F42-A329 HydrophobicContact CE1-CB 3.9Å; F42-L333 HydrophobicContact CE1-CD1 4.11Å
43	L	94.8	Very high	80.3	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.2	-177.7	-173.7	74.1	0	0	0	110.3	S41 Y53 F54 Y55 A76 F324 H351 T352	S41-L43 PolarHBondContact O-N 2.72Å; S41-L43 PolarHBondContact OG-N 2.91Å; L43-Y53 HydrophobicContact CD1-CD1 4.26Å; L43-Y53 HydrophobicContact CD1-CG 4.44Å; L43-F54 WeakPolarHBondContact CA-O 2.93Å; L43-Y55 HydrophobicContact CB-CD2 4.43Å; L43-Y55 HydrophobicContact CD1-CD2 4.1Å; L43-A76 HydrophobicContact CD1-CB 4.17Å; L43-A76 HydrophobicContact CD2-CB 4.25Å; L43-F324 HydrophobicContact CD1-CE2 4.09Å; L43-H351 PolarHBondContact O-CD2 3.02Å; L43-T352 HydrophobicContact CD2-CG2 3.8Å; L43-T352 PolarHBondContact O-N 2.87Å
44	W	96	Very high	82.7	Confident	15 Å²	15	48.8 Å²	48.8	6%	0.057	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.2	172	-61.7	-104.5	0	0	0	110.2	F42 Y53 F54 F332 L333 I339 V349 E350 H351	F42-W44 HydrophobicContact CB-CH2 4.3Å; F42-W44 HydrophobicContact CB-CZ3 4.1Å; F42-W44 HydrophobicContact CD1-CH2 4.21Å; F42-W44 WeakPolarHBondContact O-CZ3 3.34Å; W44-Y53 CarbonylContact O-C 3.54Å; W44-Y53 VanDerWaalsContact O-CA 3.27Å; W44-Y53 WeakPolarHBondContact O-CA 3.48Å; W44-F54 HydrophobicContact CB-CB 4.25Å; W44-F54 HydrophobicContact CE3-CB 4.47Å; W44-F54 PolarHBondContact N-O 2.91Å; W44-F54 PolarHBondContact O-N 2.97Å; W44-F332 HydrophobicContact CE3-CB 4.26Å; W44-F332 HydrophobicContact CE3-CD2 4.27Å; W44-F332 HydrophobicContact CE3-CG 4.16Å; W44-F332 HydrophobicContact CH2-CB 3.66Å; W44-F332 HydrophobicContact CH2-CD2 4.33Å; W44-F332 HydrophobicContact CH2-CG 4.26Å; W44-F332 HydrophobicContact CZ2-CB 3.96Å; W44-F332 HydrophobicContact CZ3-CB 3.8Å; W44-F332 AromaticContact CZ3-CD2 3.75Å; W44-F332 HydrophobicContact CZ3-CD2 3.75Å; W44-F332 AromaticContact CZ3-CG 3.88Å; W44-F332 HydrophobicContact CZ3-CG 3.88Å; W44-L333 HydrophobicContact CH2-CD2 4.42Å; W44-L333 HydrophobicContact CZ2-CD2 4.23Å; W44-I339 HydrophobicContact CB-CD1 4.38Å; W44-I339 VanDerWaalsContact CD1-CD1 3.49Å; W44-I339 HydrophobicContact CD2-CD1 3.83Å; W44-I339 HydrophobicContact CG-CD1 3.66Å; W44-V349 HydrophobicContact CB-CG1 3.98Å; W44-E350 CarbonylContact C-O 3.59Å; W44-E350 WeakPolarHBondContact CA-O 3.32Å; W44-H351 VanDerWaalsContact CD1-CA 3.43Å; W44-H351 AromaticContact CE2-CD2 3.81Å; W44-H351 AromaticContact NE1-CD2 3.73Å
45	T	96.9	Very high	84.8	Confident	19 Å²	19	41.7 Å²	41.7	12%	0.117	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.4	177.2	-62.8	0	0	0	0	109.5	P51 Y53 V349 E350 T352	T45-P51 HydrophobicContact CG2-CB 4.35Å; T45-Y53 HydrophobicContact CG2-CD1 4.45Å; T45-Y53 HydrophobicContact CG2-CE1 4.08Å; T45-Y53 WeakPolarHBondContact OG1-CE1 3.49Å; T45-V349 WeakPolarHBondContact O-CA 3.13Å; T45-E350 PolarHBondContact N-O 2.85Å; T45-E350 PolarHBondContact O-N 3.38Å; T45-T352 WeakPolarHBondContact CB-OG1 3.3Å; T45-T352 PolarHBondContact N-OG1 2.88Å; T45-T352 PolarHBondContact OG1-OG1 3.26Å
46	I	97.6	Very high	86.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	115.9	166.9	-49.8	174.6	0	0	0	107	R48 S52 F54 L315 F325 L342 Y347 V349	I46-R48 PolarHBondContact O-N 3.1Å; I46-S52 WeakPolarHBondContact CB-O 3.46Å; I46-S52 PolarHBondContact N-O 2.84Å; I46-S52 PolarHBondContact O-N 3.13Å; I46-F54 HydrophobicContact CD1-CD2 3.88Å; I46-F54 HydrophobicContact CD1-CE1 4.31Å; I46-F54 HydrophobicContact CD1-CE2 3.49Å; I46-F54 VanDerWaalsContact CD1-CE2 3.49Å; I46-F54 HydrophobicContact CD1-CG 4.46Å; I46-F54 HydrophobicContact CD1-CZ 3.72Å; I46-F54 HydrophobicContact CG1-CD2 3.91Å; I46-F54 HydrophobicContact CG1-CE2 3.79Å; I46-L315 HydrophobicContact CD1-CD1 4Å; I46-L315 HydrophobicContact CG2-CD1 4.24Å; I46-F325 HydrophobicContact CD1-CD2 4.29Å; I46-F325 HydrophobicContact CD1-CE2 4.27Å; I46-L342 HydrophobicContact CD1-CD2 4.01Å; I46-Y347 HydrophobicContact CG2-CD1 3.75Å; I46-Y347 HydrophobicContact CG2-CG 4.44Å; I46-V349 HydrophobicContact CG1-CG1 4.41Å; I46-V349 HydrophobicContact CG1-CG2 4.21Å; I46-V349 HydrophobicContact CG2-CG2 4.34Å
47	K	95.4	Very high	88.7	Confident	84 Å²	84	28 Å²	28	37%	0.365	15%	0.15	S	C	.	.			trans	-72	113.2	-177	-59.8	-72.3	-172.6	176.8	0	110.5	E348 E350	K47-E348 HydrophobicContact CB-CB 4.03Å; K47-E348 WeakPolarHBondContact CE-OE1 3.3Å; K47-E348 HydrophobicContact CG-CB 3.9Å; K47-E348 HydrophobicContact CG-CG 3.86Å; K47-E348 PolarHBondContact N-O 3.33Å; K47-E350 VanDerWaalsContact CE-CD 3.42Å; K47-E350 WeakPolarHBondContact CE-OE2 3.33Å; K47-E350 IonicContact NZ-OE2 3.79Å; K47-E350 PolarHBondContact NZ-OE2 2.91Å
48	R	93.8	Very high	90.5	Very high	54 Å²	54	25.3 Å²	25.3	20%	0.204	13%	0.128	C	C	.	.	S	Bend	trans	-168.8	174.1	174.6	47.1	177.1	-63.9	161.1	-2.7	108.6	I46 P50 P51 L315 H318 P319	I46-R48 PolarHBondContact O-N 3.1Å; R48-P50 WeakPolarHBondContact CG-O 3.43Å; R48-P50 CarbonylContact O-C 3.55Å; R48-P51 WeakPolarHBondContact O-CA 3.39Å; R48-L315 VanDerWaalsContact NH1-C 3.34Å; R48-L315 PolarHBondContact NH1-O 3.17Å; R48-L315 PolarHBondContact NH2-O 2.99Å; R48-H318 PolarHBondContact NH2-O 2.85Å; R48-P319 PolarHBondContact NH2-O 3.03Å
49	D	93.1	Very high	92.1	Very high	128 Å²	128	21.4 Å²	21.4	68%	0.684	11%	0.107	S	C	*	.	S	Bend	trans	-123.3	117.3	174.2	-171.8	33.3	0	0	0	110.4
50	P	94.4	Very high	93.3	Very high	15 Å²	15	19.7 Å²	19.7	10%	0.097	10%	0.098	C	C	.	.	S	Bend	cis	-69.3	154.9	-6.9	33.2	-37.5	0	0	0	112	R48 K321	R48-P50 WeakPolarHBondContact CG-O 3.43Å; R48-P50 CarbonylContact O-C 3.55Å; P50-K321 VanDerWaalsContact CG-C 3.49Å
51	P	95.9	Very high	94.3	Very high	17 Å²	17	17 Å²	17	11%	0.11	8%	0.083	C	C	.	.			trans	-63	153.9	-178.5	27.1	-35.5	0	0	0	111.7	T45 R48 Y53 S322	T45-P51 HydrophobicContact CG2-CB 4.35Å; R48-P51 WeakPolarHBondContact O-CA 3.39Å; P51-Y53 HydrophobicContact CB-CE2 4.32Å; P51-Y53 HydrophobicContact CG-CE2 4.29Å; P51-Y53 VanDerWaalsContact CG-OH 3.26Å; P51-Y53 WeakPolarHBondContact CG-OH 3.46Å; P51-S322 WeakPolarHBondContact O-CB 3.36Å; P51-S322 PolarHBondContact O-OG 3.01Å
52	S	97.9	Very high	94.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	160.7	171.6	-64.4	0	0	0	0	110.1	I46 F323	I46-S52 WeakPolarHBondContact CB-O 3.46Å; I46-S52 PolarHBondContact N-O 2.84Å; I46-S52 PolarHBondContact O-N 3.13Å; S52-F323 CarbonylContact C-O 3.5Å; S52-F323 VanDerWaalsContact CA-O 3.25Å; S52-F323 WeakPolarHBondContact CA-O 3.48Å; S52-F323 WeakPolarHBondContact CB-O 3.48Å; S52-F323 PolarHBondContact OG-N 3.01Å
53	Y	98.3	Very high	94.7	Very high	3 Å²	3	23 Å²	23	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.8	-167.7	-55.2	-82.7	0	0	0	111.9	L43 W44 T45 P51 A76 F323 F324 F325 I358	L43-Y53 HydrophobicContact CD1-CD1 4.26Å; L43-Y53 HydrophobicContact CD1-CG 4.44Å; W44-Y53 CarbonylContact O-C 3.54Å; W44-Y53 VanDerWaalsContact O-CA 3.27Å; W44-Y53 WeakPolarHBondContact O-CA 3.48Å; T45-Y53 HydrophobicContact CG2-CD1 4.45Å; T45-Y53 HydrophobicContact CG2-CE1 4.08Å; T45-Y53 WeakPolarHBondContact OG1-CE1 3.49Å; P51-Y53 HydrophobicContact CB-CE2 4.32Å; P51-Y53 HydrophobicContact CG-CE2 4.29Å; P51-Y53 VanDerWaalsContact CG-OH 3.26Å; P51-Y53 WeakPolarHBondContact CG-OH 3.46Å; Y53-A76 HydrophobicContact CD1-CB 3.98Å; Y53-A76 HydrophobicContact CD2-CB 3.88Å; Y53-A76 HydrophobicContact CE1-CB 4.08Å; Y53-A76 HydrophobicContact CE2-CB 4Å; Y53-A76 HydrophobicContact CG-CB 3.87Å; Y53-F323 PolarHBondContact N-O 3.34Å; Y53-F324 HydrophobicContact CD2-CD2 4.48Å; Y53-F325 WeakPolarHBondContact O-CD2 3.39Å; Y53-F325 PolarHBondContact O-N 3.11Å; Y53-I358 HydrophobicContact CE1-CG2 4.34Å
54	F	98.4	Very high	94.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140	158.5	-68.9	-63.1	0	0	0	109.7	L43 W44 I46 V311 F325 F327 F332 V338 I339 L342 V349	L43-F54 WeakPolarHBondContact CA-O 2.93Å; W44-F54 HydrophobicContact CB-CB 4.25Å; W44-F54 HydrophobicContact CE3-CB 4.47Å; W44-F54 PolarHBondContact N-O 2.91Å; W44-F54 PolarHBondContact O-N 2.97Å; I46-F54 HydrophobicContact CD1-CD2 3.88Å; I46-F54 HydrophobicContact CD1-CE1 4.31Å; I46-F54 HydrophobicContact CD1-CE2 3.49Å; I46-F54 VanDerWaalsContact CD1-CE2 3.49Å; I46-F54 HydrophobicContact CD1-CG 4.46Å; I46-F54 HydrophobicContact CD1-CZ 3.72Å; I46-F54 HydrophobicContact CG1-CD2 3.91Å; I46-F54 HydrophobicContact CG1-CE2 3.79Å; F54-V311 HydrophobicContact CE1-CB 4.46Å; F54-V311 HydrophobicContact CE1-CG1 3.85Å; F54-V311 HydrophobicContact CE1-CG2 4.04Å; F54-V311 HydrophobicContact CZ-CB 4.46Å; F54-V311 HydrophobicContact CZ-CG1 3.7Å; F54-V311 HydrophobicContact CZ-CG2 4.49Å; F54-F325 CarbonylContact C-O 3.57Å; F54-F325 WeakPolarHBondContact CA-O 3.5Å; F54-F325 HydrophobicContact CD1-CB 3.55Å; F54-F325 HydrophobicContact CD1-CD2 4.08Å; F54-F325 HydrophobicContact CD1-CG 4.1Å; F54-F325 HydrophobicContact CE1-CB 3.91Å; F54-F325 AromaticContact CE1-CD2 3.89Å; F54-F325 HydrophobicContact CE1-CD2 3.89Å; F54-F325 AromaticContact CE1-CG 3.99Å; F54-F325 HydrophobicContact CE1-CG 3.99Å; F54-F327 HydrophobicContact CD1-CD2 4.39Å; F54-F327 HydrophobicContact CD1-CE2 4.13Å; F54-F327 AromaticContact CE1-CE2 3.96Å; F54-F327 HydrophobicContact CE1-CE2 3.96Å; F54-F332 HydrophobicContact CB-CD1 4.27Å; F54-F332 HydrophobicContact CB-CE1 3.6Å; F54-F332 HydrophobicContact CB-CE2 4.48Å; F54-F332 HydrophobicContact CB-CZ 3.72Å; F54-F332 AromaticContact CD1-CE1 3.6Å; F54-F332 HydrophobicContact CD1-CE1 3.6Å; F54-F332 AromaticContact CD1-CZ 3.88Å; F54-F332 HydrophobicContact CD1-CZ 3.88Å; F54-F332 HydrophobicContact CD2-CE1 4.32Å; F54-F332 HydrophobicContact CE1-CE1 4.35Å; F54-F332 HydrophobicContact CG-CD1 4.41Å; F54-F332 AromaticContact CG-CE1 3.6Å; F54-F332 HydrophobicContact CG-CE1 3.6Å; F54-F332 HydrophobicContact CG-CZ 4.05Å; F54-V338 HydrophobicContact CE1-CG1 3.86Å; F54-V338 HydrophobicContact CZ-CG1 3.78Å; F54-I339 HydrophobicContact CD2-CG1 4.2Å; F54-I339 HydrophobicContact CE2-CG1 4.47Å; F54-L342 HydrophobicContact CE2-CD1 4.35Å; F54-L342 HydrophobicContact CE2-CD2 3.77Å; F54-L342 HydrophobicContact CZ-CD1 3.79Å; F54-L342 HydrophobicContact CZ-CD2 3.65Å; F54-L342 HydrophobicContact CZ-CG 4.3Å; F54-V349 HydrophobicContact CD2-CG1 4.1Å; F54-V349 HydrophobicContact CE2-CG1 4.34Å
55	Y	97.7	Very high	94.3	Very high	6 Å²	6	26.5 Å²	26.5	2%	0.024	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	126.4	176.5	-175.1	-107.4	0	0	0	111.3	F42 L43 T57 I69 L187 L191 Y255 F324 F325 A326 F327 F332	F42-Y55 CarbonylContact O-C 3.53Å; F42-Y55 VanDerWaalsContact O-CA 3.26Å; F42-Y55 WeakPolarHBondContact O-CA 3.47Å; F42-Y55 WeakPolarHBondContact O-CD2 3.26Å; L43-Y55 HydrophobicContact CB-CD2 4.43Å; L43-Y55 HydrophobicContact CD1-CD2 4.1Å; Y55-T57 HydrophobicContact CD1-CG2 3.95Å; Y55-T57 HydrophobicContact CE1-CG2 4.1Å; Y55-I69 HydrophobicContact CE2-CG2 4.42Å; Y55-I69 WeakPolarHBondContact OH-CD1 3.48Å; Y55-I69 VanDerWaalsContact OH-CG1 3.23Å; Y55-I69 WeakPolarHBondContact OH-CG1 3.39Å; Y55-I69 WeakPolarHBondContact OH-CG2 3.43Å; Y55-L187 HydrophobicContact CE1-CD2 4.4Å; Y55-L191 HydrophobicContact CD1-CD1 4.21Å; Y55-L191 HydrophobicContact CE1-CD1 4.14Å; Y55-Y255 PolarHBondContact OH-OH 3.43Å; Y55-F324 VanDerWaalsContact CB-CE1 3.42Å; Y55-F324 AromaticContact CD1-CE1 3.93Å; Y55-F324 HydrophobicContact CD1-CE1 3.93Å; Y55-F324 AromaticContact CD1-CZ 3.87Å; Y55-F324 HydrophobicContact CD1-CZ 3.87Å; Y55-F324 HydrophobicContact CD2-CZ 4.04Å; Y55-F324 AromaticContact CG-CE1 3.83Å; Y55-F324 HydrophobicContact CG-CE1 3.83Å; Y55-F324 HydrophobicContact CG-CE2 4.44Å; Y55-F324 AromaticContact CG-CZ 3.44Å; Y55-F324 HydrophobicContact CG-CZ 3.44Å; Y55-F324 VanDerWaalsContact CG-CZ 3.44Å; Y55-F325 PolarHBondContact N-O 2.86Å; Y55-A326 WeakPolarHBondContact O-CA 3.25Å; Y55-F327 PolarHBondContact O-N 3.47Å; Y55-F327 VanDerWaalsContact O-O 3.09Å; Y55-F332 WeakPolarHBondContact O-CE2 3.25Å
56	G	95.9	Very high	94.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.9	178.8	0	0	0	0	0	112.2	F42 Y255 F327	F42-G56 WeakPolarHBondContact CB-O 3.28Å; F42-G56 PolarHBondContact O-N 2.75Å; G56-Y255 VanDerWaalsContact O-CE2 3.3Å; G56-Y255 WeakPolarHBondContact O-CE2 3.23Å; G56-Y255 PolarHBondContact O-OH 2.99Å; G56-F327 CarbonylContact C-O 3.51Å; G56-F327 VanDerWaalsContact CA-O 3.25Å; G56-F327 WeakPolarHBondContact CA-O 3.3Å
57	T	95.1	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	166.2	172.8	58	0	0	0	0	111.3	Y55 L187 D188 L191 A326 F327 G328 A329	Y55-T57 HydrophobicContact CD1-CG2 3.95Å; Y55-T57 HydrophobicContact CE1-CG2 4.1Å; T57-L187 HydrophobicContact CG2-CD2 4.21Å; T57-L187 HydrophobicContact CG2-CG 4.35Å; T57-D188 WeakPolarHBondContact CB-OD1 3.39Å; T57-D188 PolarHBondContact OG1-OD1 3.48Å; T57-L191 HydrophobicContact CG2-CD1 3.86Å; T57-A326 HydrophobicContact CG2-CB 4.03Å; T57-F327 PolarHBondContact N-O 3.47Å; T57-F327 PolarHBondContact OG1-O 2.8Å; T57-G328 CarbonylContact O-C 3.54Å; T57-G328 WeakPolarHBondContact O-CA 3.5Å; T57-G328 PolarHBondContact OG1-N 3.06Å; T57-A329 WeakPolarHBondContact O-CB 3.46Å; T57-A329 PolarHBondContact O-N 2.92Å
58	I	92.1	Very high	93.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.			trans	-137.9	150	168.3	51.9	159.7	0	0	0	108.9	V60 V65 L251 Y255 F265 A329	I58-V60 HydrophobicContact CD1-CB 4.47Å; I58-V60 HydrophobicContact CD1-CG1 4.1Å; I58-V60 HydrophobicContact CD1-CG2 3.55Å; I58-V60 HydrophobicContact CG1-CG2 3.8Å; I58-V60 PolarHBondContact O-N 3.05Å; I58-V65 HydrophobicContact CD1-CG1 4.06Å; I58-L251 HydrophobicContact CB-CD2 4.47Å; I58-L251 HydrophobicContact CD1-CD2 4.43Å; I58-L251 HydrophobicContact CD1-CG 4.09Å; I58-L251 HydrophobicContact CG2-CD1 4.08Å; I58-Y255 HydrophobicContact CB-CD2 4.38Å; I58-Y255 HydrophobicContact CD1-CD1 3.96Å; I58-Y255 HydrophobicContact CD1-CD2 3.88Å; I58-Y255 HydrophobicContact CD1-CG 3.52Å; I58-Y255 HydrophobicContact CG1-CD1 4.17Å; I58-Y255 HydrophobicContact CG1-CD2 3.78Å; I58-Y255 HydrophobicContact CG1-CE1 4.39Å; I58-Y255 HydrophobicContact CG1-CE2 4.02Å; I58-Y255 HydrophobicContact CG1-CG 3.85Å; I58-Y255 HydrophobicContact CG2-CD2 3.67Å; I58-Y255 HydrophobicContact CG2-CE2 4Å; I58-Y255 HydrophobicContact CG2-CG 4.43Å; I58-F265 HydrophobicContact CG2-CD1 3.7Å; I58-F265 HydrophobicContact CG2-CE1 3.88Å; I58-A329 HydrophobicContact CG2-CB 4.22Å
59	H	90.4	Very high	93.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	16%	0.16	C	C	.	.	S	Bend	trans	-87.6	58.8	-166	-60.6	90.9	0	0	0	112	D188 D268 Q271 F441 D443 L444	H59-D188 IonicContact CD2-OD2 3.01Å; H59-D188 PolarHBondContact CD2-OD2 2.77Å; H59-D268 IonicContact CE1-OD2 3.94Å; H59-D268 IonicContact CG-OD2 2.7Å; H59-D268 PolarHBondContact N-OD1 3.44Å; H59-D268 IonicContact ND1-OD1 3.61Å; H59-D268 IonicContact ND1-OD2 3.67Å; H59-D268 PolarHBondContact ND1-OD2 2.61Å; H59-Q271 VanDerWaalsContact CB-NE2 3.29Å; H59-Q271 PolarHBondContact CE1-NE2 3.44Å; H59-Q271 PolarHBondContact ND1-NE2 3.49Å; H59-F441 HydrophobicContact CB-CE2 4.35Å; H59-F441 HydrophobicContact CB-CZ 4.12Å; H59-D443 VanDerWaalsContact O-CB 3.25Å; H59-D443 WeakPolarHBondContact O-CB 3.48Å; H59-L444 HydrophobicContact CB-CB 4.33Å; H59-L444 VanDerWaalsContact CD2-CD2 3.47Å; H59-L444 WeakPolarHBondContact CD2-CD2 3.42Å; H59-L444 WeakPolarHBondContact NE2-CD2 3.42Å
60	V	89.4	Confident	93.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-129.3	159.5	-176.8	-54.8	0	0	0	0	110	I58 Y62 V65 V186 L187 T248 L251 I252	I58-V60 HydrophobicContact CD1-CB 4.47Å; I58-V60 HydrophobicContact CD1-CG1 4.1Å; I58-V60 HydrophobicContact CD1-CG2 3.55Å; I58-V60 HydrophobicContact CG1-CG2 3.8Å; I58-V60 PolarHBondContact O-N 3.05Å; V60-Y62 PolarHBondContact O-N 2.65Å; V60-V65 HydrophobicContact CG2-CG1 3.68Å; V60-V65 HydrophobicContact CG2-CG2 4.43Å; V60-V186 CarbonylContact O-C 3.58Å; V60-V186 VanDerWaalsContact O-CA 3.23Å; V60-V186 WeakPolarHBondContact O-CA 3.36Å; V60-L187 PolarHBondContact O-N 3.32Å; V60-T248 HydrophobicContact CG1-CG2 3.76Å; V60-L251 HydrophobicContact CG1-CD2 3.95Å; V60-I252 HydrophobicContact CB-CD1 4.22Å; V60-I252 HydrophobicContact CB-CG1 4.1Å; V60-I252 HydrophobicContact CG1-CD1 4.31Å; V60-I252 HydrophobicContact CG1-CG1 3.97Å; V60-I252 HydrophobicContact CG2-CD1 4.44Å; V60-I252 HydrophobicContact CG2-CG1 3.97Å
61	P	90.5	Very high	93.2	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.026	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-52.7	127.2	178.3	-24.7	32.4	0	0	0	112	T63 R64 T181 V184 P185	P61-T63 PolarHBondContact O-N 3.4Å; P61-T63 VanDerWaalsContact O-N 3.07Å; P61-R64 HydrophobicContact CB-CG 4.14Å; P61-R64 WeakPolarHBondContact O-CB 3.46Å; P61-R64 PolarHBondContact O-N 2.77Å; P61-T181 HydrophobicContact CG-CG2 3.94Å; P61-V184 HydrophobicContact CB-CB 4.09Å; P61-V184 HydrophobicContact CB-CG1 3.74Å; P61-P185 WeakPolarHBondContact CA-O 3.3Å
62	Y	92.5	Very high	93	Very high	65 Å²	65	32.1 Å²	32.1	26%	0.255	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-56.9	-33	-174	81.7	-83.5	0	0	0	112.3	V60 R64 V65 W66 V184 P185 Y190	V60-Y62 PolarHBondContact O-N 2.65Å; Y62-R64 PolarHBondContact O-N 3.41Å; Y62-R64 VanDerWaalsContact O-N 3.07Å; Y62-V65 WeakPolarHBondContact O-CG2 3.3Å; Y62-V65 PolarHBondContact O-N 2.71Å; Y62-W66 HydrophobicContact CD2-CB 4.19Å; Y62-W66 HydrophobicContact CD2-CG 4.47Å; Y62-W66 VanDerWaalsContact O-CB 3.26Å; Y62-W66 WeakPolarHBondContact O-CB 2.91Å; Y62-W66 PolarHBondContact O-N 3.33Å; Y62-V184 HydrophobicContact CD1-CG1 4.07Å; Y62-V184 HydrophobicContact CE1-CG1 4.04Å; Y62-P185 HydrophobicContact CD1-CB 4.28Å; Y62-P185 WeakPolarHBondContact CD1-O 3.49Å; Y62-P185 PolarHBondContact N-O 2.82Å; Y62-Y190 AromaticContact CD1-CD2 3.85Å; Y62-Y190 HydrophobicContact CD1-CD2 3.85Å; Y62-Y190 HydrophobicContact CD1-CG 4.02Å; Y62-Y190 AromaticContact CD2-CD1 3.89Å; Y62-Y190 HydrophobicContact CD2-CD1 3.89Å; Y62-Y190 AromaticContact CD2-CD2 3.63Å; Y62-Y190 HydrophobicContact CD2-CD2 3.63Å; Y62-Y190 AromaticContact CD2-CE1 3.95Å; Y62-Y190 HydrophobicContact CD2-CE1 3.95Å; Y62-Y190 AromaticContact CD2-CE2 3.68Å; Y62-Y190 HydrophobicContact CD2-CE2 3.68Å; Y62-Y190 AromaticContact CD2-CG 3.73Å; Y62-Y190 HydrophobicContact CD2-CG 3.73Å; Y62-Y190 AromaticContact CD2-CZ 3.83Å; Y62-Y190 AromaticContact CE1-CD2 3.95Å; Y62-Y190 HydrophobicContact CE1-CD2 3.95Å; Y62-Y190 HydrophobicContact CE1-CE2 4.39Å; Y62-Y190 AromaticContact CE2-CD2 3.73Å; Y62-Y190 HydrophobicContact CE2-CD2 3.73Å; Y62-Y190 HydrophobicContact CE2-CE1 4.43Å; Y62-Y190 AromaticContact CE2-CE2 3.46Å; Y62-Y190 HydrophobicContact CE2-CE2 3.46Å; Y62-Y190 VanDerWaalsContact CE2-CE2 3.46Å; Y62-Y190 HydrophobicContact CE2-CG 4.31Å; Y62-Y190 AromaticContact CE2-CZ 3.85Å; Y62-Y190 HydrophobicContact CG-CD1 4.02Å; Y62-Y190 AromaticContact CG-CD2 3.69Å; Y62-Y190 HydrophobicContact CG-CD2 3.69Å; Y62-Y190 HydrophobicContact CG-CE2 4.24Å; Y62-Y190 AromaticContact CG-CG 3.56Å; Y62-Y190 HydrophobicContact CG-CG 3.56Å; Y62-Y190 AromaticContact CZ-CD2 3.88Å; Y62-Y190 AromaticContact CZ-CE2 3.85Å
63	T	92.1	Very high	92.8	Very high	72 Å²	72	32.2 Å²	32.2	44%	0.442	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-62	-16.2	178.5	60.6	0	0	0	0	114.1	P61 V184	P61-T63 PolarHBondContact O-N 3.4Å; P61-T63 VanDerWaalsContact O-N 3.07Å; T63-V184 HydrophobicContact CG2-CG1 4.01Å
64	R	91.3	Very high	92.7	Very high	87 Å²	87	33.2 Å²	33.2	33%	0.328	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-88	-14.5	178.4	-61	-63.9	-57.5	-87.1	-3.6	113	P61 Y62 E249 I252 N256	P61-R64 HydrophobicContact CB-CG 4.14Å; P61-R64 WeakPolarHBondContact O-CB 3.46Å; P61-R64 PolarHBondContact O-N 2.77Å; Y62-R64 PolarHBondContact O-N 3.41Å; Y62-R64 VanDerWaalsContact O-N 3.07Å; R64-E249 IonicContact CZ-OE1 2.93Å; R64-E249 IonicContact CZ-OE2 3.82Å; R64-E249 IonicContact NH1-OE1 3.1Å; R64-E249 PolarHBondContact NH1-OE1 3.49Å; R64-E249 IonicContact NH1-OE2 3.34Å; R64-E249 VanDerWaalsContact NH2-CD 3.25Å; R64-E249 IonicContact NH2-OE1 2.81Å; R64-E249 PolarHBondContact NH2-OE1 2.9Å; R64-E249 IonicContact NH2-OE2 3.76Å; R64-E249 PolarHBondContact NH2-OE2 3.23Å; R64-I252 HydrophobicContact CB-CD1 4.07Å; R64-I252 HydrophobicContact CB-CG2 4.34Å; R64-I252 HydrophobicContact CG-CD1 4.31Å; R64-N256 PolarHBondContact O-ND2 3.22Å
65	V	92.2	Very high	92.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-28.1	-170.7	-62.3	0	0	0	0	113.2	I58 V60 Y62 D67 F68 I69 L187 I252 Y255	I58-V65 HydrophobicContact CD1-CG1 4.06Å; V60-V65 HydrophobicContact CG2-CG1 3.68Å; V60-V65 HydrophobicContact CG2-CG2 4.43Å; Y62-V65 WeakPolarHBondContact O-CG2 3.3Å; Y62-V65 PolarHBondContact O-N 2.71Å; V65-D67 VanDerWaalsContact C-N 3.31Å; V65-D67 PolarHBondContact O-N 3.16Å; V65-F68 WeakPolarHBondContact O-CA 3.47Å; V65-F68 WeakPolarHBondContact O-CB 3.37Å; V65-F68 PolarHBondContact O-N 3.15Å; V65-I69 WeakPolarHBondContact O-CG1 3.29Å; V65-I69 PolarHBondContact O-N 2.86Å; V65-L187 HydrophobicContact CG2-CB 4.38Å; V65-L187 HydrophobicContact CG2-CD1 4.24Å; V65-L187 HydrophobicContact CG2-CD2 4.05Å; V65-L187 HydrophobicContact CG2-CG 4.46Å; V65-I252 HydrophobicContact CG1-CG2 4.41Å; V65-Y255 HydrophobicContact CB-CD1 4.13Å; V65-Y255 HydrophobicContact CB-CE1 4.14Å; V65-Y255 HydrophobicContact CG1-CD1 3.95Å; V65-Y255 HydrophobicContact CG1-CE1 4.39Å
66	W	93.3	Very high	92.5	Very high	56 Å²	56	35 Å²	35	21%	0.212	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-39.8	-170.6	-176.4	-105	0	0	0	114.8	Y62 F68 I69 K74 L187 Y190 L191	Y62-W66 HydrophobicContact CD2-CB 4.19Å; Y62-W66 HydrophobicContact CD2-CG 4.47Å; Y62-W66 VanDerWaalsContact O-CB 3.26Å; Y62-W66 WeakPolarHBondContact O-CB 2.91Å; Y62-W66 PolarHBondContact O-N 3.33Å; W66-F68 PolarHBondContact O-N 2.87Å; W66-I69 HydrophobicContact CE3-CD1 3.82Å; W66-I69 HydrophobicContact CZ3-CD1 4.31Å; W66-I69 PolarHBondContact O-N 3.37Å; W66-K74 HydrophobicContact CH2-CD 4.47Å; W66-K74 HydrophobicContact CH2-CG 4.21Å; W66-K74 HydrophobicContact CZ2-CD 4.14Å; W66-K74 HydrophobicContact CZ2-CG 4.37Å; W66-K74 VanDerWaalsContact O-CE 3.27Å; W66-K74 WeakPolarHBondContact O-CE 3.44Å; W66-K74 PolarHBondContact O-NZ 3.17Å; W66-L187 HydrophobicContact CE3-CD1 4.31Å; W66-Y190 AromaticContact CD2-CE1 3.9Å; W66-Y190 HydrophobicContact CD2-CE1 3.9Å; W66-Y190 HydrophobicContact CE3-CD1 4.16Å; W66-Y190 AromaticContact CE3-CE1 3.57Å; W66-Y190 HydrophobicContact CE3-CE1 3.57Å; W66-Y190 AromaticContact CH2-CE1 3.83Å; W66-Y190 HydrophobicContact CH2-CE1 3.83Å; W66-Y190 HydrophobicContact CZ2-CE1 4.13Å; W66-Y190 HydrophobicContact CZ3-CD1 4.2Å; W66-Y190 AromaticContact CZ3-CE1 3.56Å; W66-Y190 HydrophobicContact CZ3-CE1 3.56Å; W66-L191 HydrophobicContact CZ3-CD2 3.95Å
67	D	90.9	Very high	92.5	Very high	128 Å²	128	35.3 Å²	35.3	68%	0.684	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.5	-179.8	-65.1	-21.6	0	0	0	112.7	V65	V65-D67 VanDerWaalsContact C-N 3.31Å; V65-D67 PolarHBondContact O-N 3.16Å
68	F	89.9	Confident	92.6	Very high	99 Å²	99	40.1 Å²	40.1	43%	0.434	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-17.5	177	-63.1	-91.8	0	0	0	112.6	V65 W66 P70 N256	V65-F68 WeakPolarHBondContact O-CA 3.47Å; V65-F68 WeakPolarHBondContact O-CB 3.37Å; V65-F68 PolarHBondContact O-N 3.15Å; W66-F68 PolarHBondContact O-N 2.87Å; F68-P70 WeakPolarHBondContact O-CD 3.12Å; F68-N256 HydrophobicContact CB-CB 3.97Å; F68-N256 HydrophobicContact CD1-CB 3.8Å; F68-N256 HydrophobicContact CD2-CB 4.2Å; F68-N256 VanDerWaalsContact CD2-ND2 3.28Å; F68-N256 WeakPolarHBondContact CD2-ND2 3.34Å; F68-N256 HydrophobicContact CE1-CB 4.35Å; F68-N256 WeakPolarHBondContact CE2-ND2 3.49Å; F68-N256 HydrophobicContact CG-CB 3.72Å; F68-N256 VanDerWaalsContact CG-CG 3.49Å
69	I	91.2	Very high	92.7	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.041	21%	0.205	C	C	.	.	S	Bend	trans	-65.7	122.6	177.7	-63.7	170.9	0	0	0	109.5	Y55 V65 W66 K74 L187 Y255	Y55-I69 HydrophobicContact CE2-CG2 4.42Å; Y55-I69 WeakPolarHBondContact OH-CD1 3.48Å; Y55-I69 VanDerWaalsContact OH-CG1 3.23Å; Y55-I69 WeakPolarHBondContact OH-CG1 3.39Å; Y55-I69 WeakPolarHBondContact OH-CG2 3.43Å; V65-I69 WeakPolarHBondContact O-CG1 3.29Å; V65-I69 PolarHBondContact O-N 2.86Å; W66-I69 HydrophobicContact CE3-CD1 3.82Å; W66-I69 HydrophobicContact CZ3-CD1 4.31Å; W66-I69 PolarHBondContact O-N 3.37Å; I69-K74 HydrophobicContact CG2-CG 4.13Å; I69-K74 WeakPolarHBondContact O-CE 3.43Å; I69-K74 PolarHBondContact O-NZ 3.34Å; I69-L187 HydrophobicContact CD1-CD1 3.94Å; I69-L187 HydrophobicContact CD1-CD2 4.2Å; I69-Y255 HydrophobicContact CG1-CE1 4.45Å
70	P	90.8	Very high	93	Very high	17 Å²	17	43.5 Å²	43.5	11%	0.11	21%	0.205	C	C	.	.			trans	-58.2	144.3	179.9	-28.1	37.2	0	0	0	113.9	F68 N72 S73 K74 A354	F68-P70 WeakPolarHBondContact O-CD 3.12Å; P70-N72 VanDerWaalsContact C-N 3.26Å; P70-N72 WeakPolarHBondContact CB-OD1 3.19Å; P70-N72 PolarHBondContact O-N 2.66Å; P70-S73 WeakPolarHBondContact O-CB 3.36Å; P70-S73 PolarHBondContact O-N 3.13Å; P70-K74 PolarHBondContact O-N 3.46Å; P70-A354 HydrophobicContact CB-CB 3.94Å; P70-A354 HydrophobicContact CG-CB 3.63Å
71	E	90.8	Very high	93.3	Very high	121 Å²	121	46.4 Å²	46.4	57%	0.565	22%	0.22	S	C	*	.	H	α-helix	trans	-62	-32.8	-175.3	-159.6	58.2	-147.2	0	0	113	S73 K74 Q75	E71-S73 VanDerWaalsContact C-N 3.25Å; E71-S73 PolarHBondContact O-N 2.85Å; E71-K74 PolarHBondContact O-N 2.97Å; E71-Q75 WeakPolarHBondContact O-CB 3.48Å; E71-Q75 PolarHBondContact O-N 2.9Å
72	N	91.9	Very high	93.7	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-27.9	175.5	65.6	-33.8	0	0	0	112.9	P70 A76 P353 G355 Q356 I358	P70-N72 VanDerWaalsContact C-N 3.26Å; P70-N72 WeakPolarHBondContact CB-OD1 3.19Å; P70-N72 PolarHBondContact O-N 2.66Å; N72-A76 WeakPolarHBondContact O-CB 3.39Å; N72-A76 PolarHBondContact O-N 2.96Å; N72-P353 PolarHBondContact ND2-O 3.24Å; N72-G355 PolarHBondContact OD1-N 3.43Å; N72-Q356 VanDerWaalsContact CB-O 3.29Å; N72-Q356 WeakPolarHBondContact CB-O 3.47Å; N72-Q356 PolarHBondContact ND2-O 3.48Å; N72-I358 HydrophobicContact CB-CG2 4.32Å
73	S	94.5	Very high	93.9	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	21%	0.209	C	C	.	.	H	α-helix	trans	-72.6	-42.3	172.6	-54.3	0	0	0	0	111.4	P70 E71 Q75 A76 F77	P70-S73 WeakPolarHBondContact O-CB 3.36Å; P70-S73 PolarHBondContact O-N 3.13Å; E71-S73 VanDerWaalsContact C-N 3.25Å; E71-S73 PolarHBondContact O-N 2.85Å; S73-Q75 VanDerWaalsContact C-N 3.31Å; S73-Q75 PolarHBondContact O-N 3.44Å; S73-A76 PolarHBondContact O-N 3.42Å; S73-F77 PolarHBondContact O-N 3.43Å; S73-F77 VanDerWaalsContact O-N 3.11Å
74	K	95.4	Very high	94.2	Very high	24 Å²	24	42 Å²	42	10%	0.104	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-41	173.3	-64.2	174.6	-178.3	167.1	0	111.1	W66 I69 P70 E71 F77 Q78	W66-K74 HydrophobicContact CH2-CD 4.47Å; W66-K74 HydrophobicContact CH2-CG 4.21Å; W66-K74 HydrophobicContact CZ2-CD 4.14Å; W66-K74 HydrophobicContact CZ2-CG 4.37Å; W66-K74 VanDerWaalsContact O-CE 3.27Å; W66-K74 WeakPolarHBondContact O-CE 3.44Å; W66-K74 PolarHBondContact O-NZ 3.17Å; I69-K74 HydrophobicContact CG2-CG 4.13Å; I69-K74 WeakPolarHBondContact O-CE 3.43Å; I69-K74 PolarHBondContact O-NZ 3.34Å; P70-K74 PolarHBondContact O-N 3.46Å; E71-K74 PolarHBondContact O-N 2.97Å; K74-F77 WeakPolarHBondContact O-CB 3.35Å; K74-F77 PolarHBondContact O-N 2.91Å; K74-Q78 VanDerWaalsContact O-CG 3.26Å; K74-Q78 WeakPolarHBondContact O-CG 3.46Å; K74-Q78 PolarHBondContact O-N 3.05Å
75	Q	95.3	Very high	94.5	Very high	42 Å²	42	38.5 Å²	38.5	20%	0.196	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-42.4	176.1	-162	-168.9	-12	0	0	111.5	E71 S73 F77 Q78 E79 I358	E71-Q75 WeakPolarHBondContact O-CB 3.48Å; E71-Q75 PolarHBondContact O-N 2.9Å; S73-Q75 VanDerWaalsContact C-N 3.31Å; S73-Q75 PolarHBondContact O-N 3.44Å; Q75-F77 VanDerWaalsContact C-N 3.32Å; Q75-F77 PolarHBondContact O-N 3.41Å; Q75-Q78 PolarHBondContact O-N 2.99Å; Q75-Q78 VanDerWaalsContact O-N 3.14Å; Q75-E79 HydrophobicContact CG-CG 4.29Å; Q75-E79 PolarHBondContact NE2-OE1 2.84Å; Q75-E79 WeakPolarHBondContact O-CB 3.43Å; Q75-E79 WeakPolarHBondContact O-CG 3.18Å; Q75-E79 PolarHBondContact O-N 3.3Å; Q75-I358 HydrophobicContact CB-CD1 3.77Å; Q75-I358 HydrophobicContact CG-CD1 3.64Å; Q75-I358 HydrophobicContact CG-CG1 4.23Å
76	A	96.3	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-41.9	176.3	0	0	0	0	0	111.7	L43 Y53 N72 S73 S80 F324 I358	L43-A76 HydrophobicContact CD1-CB 4.17Å; L43-A76 HydrophobicContact CD2-CB 4.25Å; Y53-A76 HydrophobicContact CD1-CB 3.98Å; Y53-A76 HydrophobicContact CD2-CB 3.88Å; Y53-A76 HydrophobicContact CE1-CB 4.08Å; Y53-A76 HydrophobicContact CE2-CB 4Å; Y53-A76 HydrophobicContact CG-CB 3.87Å; N72-A76 WeakPolarHBondContact O-CB 3.39Å; N72-A76 PolarHBondContact O-N 2.96Å; S73-A76 PolarHBondContact O-N 3.42Å; A76-S80 WeakPolarHBondContact O-CB 3.47Å; A76-S80 PolarHBondContact O-N 2.94Å; A76-S80 VanDerWaalsContact O-N 3.13Å; A76-S80 PolarHBondContact O-OG 2.63Å; A76-F324 HydrophobicContact CB-CD2 4.25Å; A76-F324 HydrophobicContact CB-CE2 4Å; A76-I358 HydrophobicContact CB-CD1 4.13Å
77	F	97.3	Very high	94.7	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-46	172.5	175.9	-95.8	0	0	0	112	S73 K74 Q75 V83 L191 E194 A195 M198 K200 F324	S73-F77 PolarHBondContact O-N 3.43Å; S73-F77 VanDerWaalsContact O-N 3.11Å; K74-F77 WeakPolarHBondContact O-CB 3.35Å; K74-F77 PolarHBondContact O-N 2.91Å; Q75-F77 VanDerWaalsContact C-N 3.32Å; Q75-F77 PolarHBondContact O-N 3.41Å; F77-V83 HydrophobicContact CD2-CG1 4.45Å; F77-V83 HydrophobicContact CD2-CG2 4.33Å; F77-V83 HydrophobicContact CE2-CG1 3.99Å; F77-V83 HydrophobicContact CE2-CG2 3.97Å; F77-L191 HydrophobicContact CD2-CD2 4.22Å; F77-L191 HydrophobicContact CE2-CB 4.34Å; F77-L191 HydrophobicContact CE2-CD2 4.05Å; F77-L191 HydrophobicContact CZ-CD2 4.31Å; F77-L191 WeakPolarHBondContact CZ-O 3.39Å; F77-E194 HydrophobicContact CE1-CB 4.4Å; F77-E194 HydrophobicContact CE1-CG 4.31Å; F77-E194 HydrophobicContact CZ-CB 4.32Å; F77-A195 HydrophobicContact CE2-CB 4.32Å; F77-A195 HydrophobicContact CZ-CB 3.96Å; F77-M198 HydrophobicContact CD1-SD 4.41Å; F77-M198 HydrophobicContact CE1-SD 3.85Å; F77-K200 VanDerWaalsContact O-CE 3.29Å; F77-K200 WeakPolarHBondContact O-CE 3.28Å; F77-K200 PolarHBondContact O-NZ 2.73Å; F77-F324 HydrophobicContact CB-CD2 4.05Å; F77-F324 HydrophobicContact CB-CE1 4.29Å; F77-F324 HydrophobicContact CB-CE2 3.79Å; F77-F324 HydrophobicContact CB-CG 4.4Å; F77-F324 HydrophobicContact CB-CZ 3.89Å; F77-F324 AromaticContact CD2-CD1 3.8Å; F77-F324 HydrophobicContact CD2-CD1 3.8Å; F77-F324 AromaticContact CD2-CE1 3.85Å; F77-F324 HydrophobicContact CD2-CE1 3.85Å; F77-F324 HydrophobicContact CD2-CG 4.2Å; F77-F324 HydrophobicContact CD2-CZ 4.31Å
78	Q	96.2	Very high	94.7	Very high	102 Å²	102	33 Å²	33	48%	0.477	16%	0.157	S	C	.	.	H	α-helix	trans	-65.6	-38.6	-179.7	-72.2	171.7	8.2	0	0	113.4	K74 Q75 M198 K200	K74-Q78 VanDerWaalsContact O-CG 3.26Å; K74-Q78 WeakPolarHBondContact O-CG 3.46Å; K74-Q78 PolarHBondContact O-N 3.05Å; Q75-Q78 PolarHBondContact O-N 2.99Å; Q75-Q78 VanDerWaalsContact O-N 3.14Å; Q78-M198 HydrophobicContact CB-CE 4.25Å; Q78-M198 HydrophobicContact CG-CE 4.02Å; Q78-K200 VanDerWaalsContact C-NZ 3.32Å; Q78-K200 PolarHBondContact O-NZ 3.13Å
79	E	95.4	Very high	94.5	Very high	71 Å²	71	29.2 Å²	29.2	33%	0.332	14%	0.141	S	C	.	.	H	α-helix	trans	-81.4	-23.6	-177.3	-69.9	-175.5	-177.3	0	0	113.3	Q75 I358	Q75-E79 HydrophobicContact CG-CG 4.29Å; Q75-E79 PolarHBondContact NE2-OE1 2.84Å; Q75-E79 WeakPolarHBondContact O-CB 3.43Å; Q75-E79 WeakPolarHBondContact O-CG 3.18Å; Q75-E79 PolarHBondContact O-N 3.3Å; E79-I358 WeakPolarHBondContact OE2-CD1 3.09Å
80	S	97.1	Very high	94.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.014	15%	0.152	C	C	.	.			trans	-65.8	143.9	179.5	-63.1	0	0	0	0	112.4	A76 K200 S322	A76-S80 WeakPolarHBondContact O-CB 3.47Å; A76-S80 PolarHBondContact O-N 2.94Å; A76-S80 VanDerWaalsContact O-N 3.13Å; A76-S80 PolarHBondContact O-OG 2.63Å; S80-K200 PolarHBondContact O-NZ 2.7Å; S80-S322 PolarHBondContact OG-OG 3.04Å
81	N	94.9	Very high	94	Very high	60 Å²	60	32.5 Å²	32.5	32%	0.321	16%	0.16	S	C	.	.	S	Bend	trans	-81.8	-37.3	-178.4	-57.1	122.8	0	0	0	112.2	S322	N81-S322 PolarHBondContact N-O 3.38Å; N81-S322 PolarHBondContact OD1-N 3.45Å
82	I	97.9	Very high	93.8	Very high	10 Å²	10	30.7 Å²	30.7	5%	0.051	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.3	-172.6	-48	-177.5	0	0	0	108.2	Y84 R201 K321 S322 F323 F324	I82-Y84 HydrophobicContact CG2-CD2 3.77Å; I82-Y84 HydrophobicContact CG2-CE2 3.58Å; I82-R201 CarbonylContact C-O 3.35Å; I82-R201 WeakPolarHBondContact CA-O 3.41Å; I82-R201 HydrophobicContact CB-CB 4.45Å; I82-R201 HydrophobicContact CG1-CB 4.19Å; I82-R201 HydrophobicContact CG2-CB 3.98Å; I82-R201 WeakPolarHBondContact CG2-O 3.44Å; I82-K321 HydrophobicContact CD1-CB 4.1Å; I82-K321 HydrophobicContact CD1-CG 4.14Å; I82-S322 PolarHBondContact N-O 3.44Å; I82-S322 VanDerWaalsContact N-O 3.1Å; I82-F323 HydrophobicContact CB-CD1 3.93Å; I82-F323 HydrophobicContact CB-CE1 3.95Å; I82-F323 HydrophobicContact CD1-CE1 3.88Å; I82-F323 HydrophobicContact CD1-CZ 3.91Å; I82-F323 HydrophobicContact CG1-CE1 4.42Å; I82-F323 HydrophobicContact CG2-CD1 4.18Å; I82-F323 HydrophobicContact CG2-CE1 4.01Å; I82-F323 CarbonylContact O-C 3.47Å; I82-F323 WeakPolarHBondContact O-CA 3.44Å; I82-F324 PolarHBondContact O-N 2.86Å
83	V	98.3	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129	178.1	-171.9	0	0	0	0	108.7	F77 F85 A195 K200 R201 T202 G203 F324	F77-V83 HydrophobicContact CD2-CG1 4.45Å; F77-V83 HydrophobicContact CD2-CG2 4.33Å; F77-V83 HydrophobicContact CE2-CG1 3.99Å; F77-V83 HydrophobicContact CE2-CG2 3.97Å; V83-F85 HydrophobicContact CB-CE2 4.25Å; V83-F85 HydrophobicContact CB-CZ 4.46Å; V83-F85 HydrophobicContact CG1-CD2 4.38Å; V83-F85 HydrophobicContact CG1-CE1 4.15Å; V83-F85 HydrophobicContact CG1-CE2 3.56Å; V83-F85 HydrophobicContact CG1-CZ 3.41Å; V83-F85 VanDerWaalsContact CG1-CZ 3.41Å; V83-A195 HydrophobicContact CB-CB 4.17Å; V83-A195 HydrophobicContact CG2-CB 3.99Å; V83-K200 HydrophobicContact CG2-CB 4.39Å; V83-K200 HydrophobicContact CG2-CD 3.77Å; V83-R201 PolarHBondContact N-O 2.71Å; V83-T202 CarbonylContact O-C 3.44Å; V83-T202 VanDerWaalsContact O-CA 3.22Å; V83-T202 WeakPolarHBondContact O-CA 3.31Å; V83-G203 PolarHBondContact O-N 3.31Å; V83-F324 CarbonylContact C-O 3.48Å; V83-F324 VanDerWaalsContact CA-O 3.3Å; V83-F324 WeakPolarHBondContact CA-O 3.26Å; V83-F324 HydrophobicContact CG1-CB 4.44Å; V83-F324 HydrophobicContact CG1-CD1 4.23Å; V83-F324 WeakPolarHBondContact CG1-O 2.95Å; V83-F324 HydrophobicContact CG2-CB 4.36Å
84	Y	98.2	Very high	93.5	Very high	40 Å²	40	38.6 Å²	38.6	16%	0.157	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.5	177	-94.8	-99.9	0	0	0	110.1	I82 G203 V205 L314 F323 F324 F325 A326	I82-Y84 HydrophobicContact CG2-CD2 3.77Å; I82-Y84 HydrophobicContact CG2-CE2 3.58Å; Y84-G203 WeakPolarHBondContact CA-O 3.25Å; Y84-G203 VanDerWaalsContact CD1-C 3.47Å; Y84-V205 HydrophobicContact CD1-CG2 3.61Å; Y84-V205 HydrophobicContact CG-CG2 4.23Å; Y84-L314 HydrophobicContact CD1-CD1 3.72Å; Y84-L314 HydrophobicContact CD2-CD1 4.35Å; Y84-L314 HydrophobicContact CE1-CD1 3.53Å; Y84-L314 HydrophobicContact CE1-CD2 4.02Å; Y84-L314 HydrophobicContact CE1-CG 4.44Å; Y84-L314 HydrophobicContact CE2-CD1 4.18Å; Y84-L314 HydrophobicContact CE2-CD2 4.2Å; Y84-L314 HydrophobicContact CG-CD1 4.13Å; Y84-L314 VanDerWaalsContact OH-CD2 3.3Å; Y84-L314 WeakPolarHBondContact OH-CD2 3.46Å; Y84-F323 AromaticContact CD2-CD1 3.97Å; Y84-F323 HydrophobicContact CD2-CD1 3.97Å; Y84-F323 HydrophobicContact CD2-CE1 4.16Å; Y84-F323 HydrophobicContact CE2-CD1 4.23Å; Y84-F323 AromaticContact CE2-CE1 3.93Å; Y84-F323 HydrophobicContact CE2-CE1 3.93Å; Y84-F324 PolarHBondContact N-O 3.23Å; Y84-F325 VanDerWaalsContact CB-CD1 3.46Å; Y84-F325 HydrophobicContact CD2-CE1 4.33Å; Y84-F325 HydrophobicContact CG-CD1 4.26Å; Y84-F325 HydrophobicContact CG-CE1 4.05Å; Y84-F325 CarbonylContact O-C 3.47Å; Y84-F325 WeakPolarHBondContact O-CA 3.49Å; Y84-A326 PolarHBondContact O-N 3.23Å
85	F	97.5	Very high	93	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.053	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	174.1	173.8	-60.4	-81.2	0	0	0	110	V83 L191 A192 T202 G203 A204 V205 A326	V83-F85 HydrophobicContact CB-CE2 4.25Å; V83-F85 HydrophobicContact CB-CZ 4.46Å; V83-F85 HydrophobicContact CG1-CD2 4.38Å; V83-F85 HydrophobicContact CG1-CE1 4.15Å; V83-F85 HydrophobicContact CG1-CE2 3.56Å; V83-F85 HydrophobicContact CG1-CZ 3.41Å; V83-F85 VanDerWaalsContact CG1-CZ 3.41Å; F85-L191 HydrophobicContact CE1-CB 3.67Å; F85-L191 HydrophobicContact CZ-CB 3.95Å; F85-A192 HydrophobicContact CD2-CB 4.08Å; F85-A192 HydrophobicContact CE1-CB 4.25Å; F85-A192 VanDerWaalsContact CE2-CA 3.5Å; F85-A192 HydrophobicContact CE2-CB 3.64Å; F85-A192 HydrophobicContact CZ-CB 3.74Å; F85-A192 VanDerWaalsContact CZ-N 3.26Å; F85-T202 HydrophobicContact CE2-CG2 4.41Å; F85-G203 PolarHBondContact N-O 3.05Å; F85-A204 WeakPolarHBondContact O-CA 3.26Å; F85-V205 PolarHBondContact O-N 3.09Å; F85-A326 HydrophobicContact CD1-CB 3.77Å; F85-A326 HydrophobicContact CE1-CB 3.72Å
86	E	96.1	Very high	92.7	Very high	11 Å²	11	39.2 Å²	39.2	5%	0.051	20%	0.201	C	C	.	.	S	Bend	trans	-60.2	-52	170.3	-67.7	-175.4	175.1	0	0	110.5	V205 E206 R303 M307 F327 G328 H331	E86-V205 PolarHBondContact O-N 3.23Å; E86-E206 VanDerWaalsContact CB-OE2 3.31Å; E86-E206 WeakPolarHBondContact CB-OE2 3.29Å; E86-E206 WeakPolarHBondContact O-CA 3.48Å; E86-E206 WeakPolarHBondContact O-CB 3.3Å; E86-E206 PolarHBondContact O-N 2.95Å; E86-R303 IonicContact OE1-NH2 2.73Å; E86-R303 IonicContact OE2-CZ 3.15Å; E86-R303 IonicContact OE2-NH1 2.69Å; E86-R303 IonicContact OE2-NH2 2.7Å; E86-R303 PolarHBondContact OE2-NH2 3.29Å; E86-M307 HydrophobicContact CG-CE 4.03Å; E86-F327 HydrophobicContact CG-CB 4.04Å; E86-F327 HydrophobicContact CG-CD1 3.69Å; E86-F327 HydrophobicContact CG-CG 4.19Å; E86-F327 WeakPolarHBondContact OE1-CA 3.5Å; E86-F327 WeakPolarHBondContact OE1-CB 3.24Å; E86-G328 PolarHBondContact OE1-N 2.94Å; E86-H331 IonicContact OE1-CD2 3.78Å; E86-H331 PolarHBondContact OE1-CD2 2.97Å; E86-H331 IonicContact OE1-NE2 3.69Å; E86-H331 PolarHBondContact OE1-NE2 2.98Å
87	L	93.6	Very high	92.4	Very high	12 Å²	12	40 Å²	40	6%	0.063	21%	0.208	C	C	.	.	S	Bend	trans	-136.9	151.9	-178.6	-160.8	73.4	0	0	0	110.3	L89 T94 L98 V208 Q211 W445	L87-L89 HydrophobicContact CB-CD2 4.49Å; L87-L89 HydrophobicContact CD2-CD2 4.06Å; L87-L89 PolarHBondContact O-N 2.98Å; L87-T94 HydrophobicContact CD1-CG2 4.18Å; L87-T94 HydrophobicContact CD2-CG2 3.63Å; L87-T94 HydrophobicContact CG-CG2 3.63Å; L87-L98 HydrophobicContact CD2-CD1 3.58Å; L87-L98 HydrophobicContact CD2-CD2 4.14Å; L87-L98 HydrophobicContact CD2-CG 4.1Å; L87-V208 HydrophobicContact CD1-CG2 4.18Å; L87-Q211 HydrophobicContact CD1-CG 4.49Å; L87-Q211 HydrophobicContact CD2-CG 4.48Å; L87-W445 HydrophobicContact CD2-CH2 4.41Å; L87-W445 HydrophobicContact CD2-CZ3 4.22Å
88	D	90.9	Very high	92	Very high	45 Å²	45	39.8 Å²	39.8	24%	0.241	21%	0.207	C	C	.	.			trans	-84.2	90.4	178.1	-168.6	-16.3	0	0	0	110.8	T90 D91 T94 A204	D88-T90 PolarHBondContact O-N 3.4Å; D88-T90 PolarHBondContact OD1-N 3.24Å; D88-T90 PolarHBondContact OD1-OG1 3.13Å; D88-D91 HydrophobicContact CB-CB 4.18Å; D88-D91 PolarHBondContact OD1-N 3.02Å; D88-D91 VanDerWaalsContact OD1-N 3.13Å; D88-T94 WeakPolarHBondContact O-CB 3.42Å; D88-T94 WeakPolarHBondContact O-CG2 3.38Å; D88-A204 HydrophobicContact CB-CB 4.06Å
89	L	84.4	Confident	91.7	Very high	21 Å²	21	36.9 Å²	36.9	11%	0.11	20%	0.196	C	C	.	.	S	Bend	trans	-81.6	0.8	-179.5	-59.1	178.5	0	0	0	113.7	L87 I95 L98 L189 L444 I448	L87-L89 HydrophobicContact CB-CD2 4.49Å; L87-L89 HydrophobicContact CD2-CD2 4.06Å; L87-L89 PolarHBondContact O-N 2.98Å; L89-I95 HydrophobicContact CD2-CD1 4.31Å; L89-L98 HydrophobicContact CD2-CD1 4.36Å; L89-L189 HydrophobicContact CB-CD1 4.15Å; L89-L444 HydrophobicContact CD1-CD1 3.76Å; L89-I448 HydrophobicContact CD2-CD1 3.59Å; L89-I448 HydrophobicContact CD2-CG1 4.05Å
90	T	85.9	Confident	91.4	Very high	43 Å²	43	36.9 Å²	36.9	26%	0.264	20%	0.204	S	C	.	.	S	Bend	trans	-97.9	-20.6	174.4	69.7	0	0	0	0	111.9	D88 P92 L189 A192 E196	D88-T90 PolarHBondContact O-N 3.4Å; D88-T90 PolarHBondContact OD1-N 3.24Å; D88-T90 PolarHBondContact OD1-OG1 3.13Å; T90-P92 WeakPolarHBondContact O-CD 3.41Å; T90-L189 HydrophobicContact CG2-CD1 4.4Å; T90-A192 HydrophobicContact CG2-CB 4.03Å; T90-E196 WeakPolarHBondContact CB-OE1 3.16Å; T90-E196 WeakPolarHBondContact CG2-OE1 3.5Å; T90-E196 PolarHBondContact OG1-OE1 3.44Å
91	D	86.5	Confident	91.1	Very high	51 Å²	51	37.9 Å²	37.9	27%	0.273	21%	0.211	S	C	.	.			trans	-73.4	116.8	172.4	170.6	32.9	0	0	0	113.2	D88 Y93 T94 I95	D88-D91 HydrophobicContact CB-CB 4.18Å; D88-D91 PolarHBondContact OD1-N 3.02Å; D88-D91 VanDerWaalsContact OD1-N 3.13Å; D91-Y93 PolarHBondContact O-N 3.19Å; D91-Y93 WeakPolarHBondContact OD1-CB 3.18Å; D91-Y93 PolarHBondContact OD1-N 2.93Å; D91-Y93 WeakPolarHBondContact OD2-CB 3.31Å; D91-T94 WeakPolarHBondContact O-CB 3.48Å; D91-T94 PolarHBondContact O-N 3.3Å; D91-T94 WeakPolarHBondContact OD2-CB 3.3Å; D91-T94 PolarHBondContact OD2-N 3.18Å; D91-T94 PolarHBondContact OD2-OG1 3.36Å; D91-I95 WeakPolarHBondContact O-CG1 3.16Å; D91-I95 PolarHBondContact O-N 3.01Å
92	P	87.4	Confident	90.9	Very high	83 Å²	83	35.5 Å²	35.5	54%	0.539	20%	0.198	S	C	.	.	H	α-helix	trans	-58.8	-30.2	177	-23.7	34.5	0	0	0	114.4	T90 I95 S96	T90-P92 WeakPolarHBondContact O-CD 3.41Å; P92-I95 PolarHBondContact O-N 3.06Å; P92-S96 WeakPolarHBondContact O-CB 3.49Å; P92-S96 PolarHBondContact O-N 3.4Å
93	Y	91.1	Very high	90.6	Very high	161 Å²	161	37.9 Å²	37.9	63%	0.631	21%	0.21	S	C	*	.	H	α-helix	trans	-66.2	-45.4	177.9	173	-92.7	0	0	0	110.8	D91 I95 S96 A97	D91-Y93 PolarHBondContact O-N 3.19Å; D91-Y93 WeakPolarHBondContact OD1-CB 3.18Å; D91-Y93 PolarHBondContact OD1-N 2.93Å; D91-Y93 WeakPolarHBondContact OD2-CB 3.31Å; Y93-I95 VanDerWaalsContact C-N 3.31Å; Y93-I95 PolarHBondContact O-N 3.42Å; Y93-S96 PolarHBondContact O-N 3.41Å; Y93-A97 WeakPolarHBondContact O-CB 3.36Å; Y93-A97 PolarHBondContact O-N 2.95Å
94	T	89.1	Confident	90.4	Very high	13 Å²	13	38.6 Å²	38.6	8%	0.08	21%	0.214	C	C	.	.	H	α-helix	trans	-56.3	-45.3	174.4	-66.5	0	0	0	0	111.8	L87 D88 D91 A97 L98 V208	L87-T94 HydrophobicContact CD1-CG2 4.18Å; L87-T94 HydrophobicContact CD2-CG2 3.63Å; L87-T94 HydrophobicContact CG-CG2 3.63Å; D88-T94 WeakPolarHBondContact O-CB 3.42Å; D88-T94 WeakPolarHBondContact O-CG2 3.38Å; D91-T94 WeakPolarHBondContact O-CB 3.48Å; D91-T94 PolarHBondContact O-N 3.3Å; D91-T94 WeakPolarHBondContact OD2-CB 3.3Å; D91-T94 PolarHBondContact OD2-N 3.18Å; D91-T94 PolarHBondContact OD2-OG1 3.36Å; T94-A97 PolarHBondContact O-N 3Å; T94-L98 HydrophobicContact CG2-CD1 4.43Å; T94-L98 WeakPolarHBondContact O-CG 3.48Å; T94-L98 PolarHBondContact O-N 2.91Å; T94-V208 HydrophobicContact CG2-CG2 3.77Å
95	I	84.4	Confident	90	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.051	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-47.4	176.9	-54	-65.4	0	0	0	111.3	L89 D91 P92 Y93 A97 L98 T99 I448	L89-I95 HydrophobicContact CD2-CD1 4.31Å; D91-I95 WeakPolarHBondContact O-CG1 3.16Å; D91-I95 PolarHBondContact O-N 3.01Å; P92-I95 PolarHBondContact O-N 3.06Å; Y93-I95 VanDerWaalsContact C-N 3.31Å; Y93-I95 PolarHBondContact O-N 3.42Å; I95-A97 PolarHBondContact O-N 3.28Å; I95-L98 WeakPolarHBondContact O-CB 3.46Å; I95-L98 PolarHBondContact O-N 3.11Å; I95-T99 PolarHBondContact O-N 3.11Å; I95-T99 PolarHBondContact O-OG1 3.35Å; I95-I448 HydrophobicContact CD1-CG2 3.68Å; I95-I448 HydrophobicContact CG2-CG2 3.83Å
96	S	88.1	Confident	89.4	Confident	70 Å²	70	48 Å²	48	49%	0.49	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-41.6	178.8	179.5	0	0	0	0	112.6	P92 Y93 T99 S100	P92-S96 WeakPolarHBondContact O-CB 3.49Å; P92-S96 PolarHBondContact O-N 3.4Å; Y93-S96 PolarHBondContact O-N 3.41Å; S96-T99 PolarHBondContact O-N 2.68Å; S96-S100 WeakPolarHBondContact O-CB 3.38Å; S96-S100 PolarHBondContact O-N 3.14Å; S96-S100 PolarHBondContact O-OG 3.39Å
97	A	91.3	Very high	88.8	Confident	17 Å²	17	51 Å²	51	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-65.9	-40.6	177.8	0	0	0	0	0	111.4	Y93 T94 I95 S100 C101 V208	Y93-A97 WeakPolarHBondContact O-CB 3.36Å; Y93-A97 PolarHBondContact O-N 2.95Å; T94-A97 PolarHBondContact O-N 3Å; I95-A97 PolarHBondContact O-N 3.28Å; A97-S100 PolarHBondContact O-N 3.31Å; A97-C101 PolarHBondContact O-N 3.08Å; A97-V208 HydrophobicContact CB-CB 4.22Å; A97-V208 HydrophobicContact CB-CG1 3.79Å; A97-V208 HydrophobicContact CB-CG2 4.05Å
98	L	88.9	Confident	88.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-49.3	172.2	-78	171.2	0	0	0	111.5	L87 L89 T94 I95 S100 C101 Q102 V208 W445 I448	L87-L98 HydrophobicContact CD2-CD1 3.58Å; L87-L98 HydrophobicContact CD2-CD2 4.14Å; L87-L98 HydrophobicContact CD2-CG 4.1Å; L89-L98 HydrophobicContact CD2-CD1 4.36Å; T94-L98 HydrophobicContact CG2-CD1 4.43Å; T94-L98 WeakPolarHBondContact O-CG 3.48Å; T94-L98 PolarHBondContact O-N 2.91Å; I95-L98 WeakPolarHBondContact O-CB 3.46Å; I95-L98 PolarHBondContact O-N 3.11Å; L98-S100 VanDerWaalsContact C-N 3.26Å; L98-S100 PolarHBondContact O-N 3.11Å; L98-C101 PolarHBondContact O-N 3.21Å; L98-C101 VanDerWaalsContact O-N 3.11Å; L98-C101 PolarHBondContact O-SG 2.87Å; L98-Q102 WeakPolarHBondContact O-CG 3.26Å; L98-Q102 PolarHBondContact O-N 3.3Å; L98-V208 HydrophobicContact CD2-CG1 3.88Å; L98-V208 HydrophobicContact CG-CG1 3.95Å; L98-V208 HydrophobicContact CG-CG2 4.36Å; L98-W445 HydrophobicContact CD1-CE3 4.36Å; L98-W445 HydrophobicContact CD1-CZ3 3.91Å; L98-W445 HydrophobicContact CD2-CE3 4.04Å; L98-W445 HydrophobicContact CD2-CH2 4.48Å; L98-W445 HydrophobicContact CD2-CZ3 3.54Å; L98-W445 HydrophobicContact CG-CZ3 4.4Å; L98-I448 HydrophobicContact CD1-CD1 3.64Å; L98-I448 HydrophobicContact CD1-CG2 3.98Å
99	T	87.9	Confident	88.9	Confident	42 Å²	42	53.9 Å²	53.9	26%	0.258	31%	0.311	S	S	.	.	H	α-helix	trans	-56.7	-44.3	177.5	-63.2	0	0	0	0	111.1	I95 S96 C101 Q102	I95-T99 PolarHBondContact O-N 3.11Å; I95-T99 PolarHBondContact O-OG1 3.35Å; S96-T99 PolarHBondContact O-N 2.68Å; T99-C101 VanDerWaalsContact C-N 3.3Å; T99-C101 PolarHBondContact O-N 2.72Å; T99-Q102 WeakPolarHBondContact O-CB 3.33Å; T99-Q102 PolarHBondContact O-N 3.23Å
100	S	90.4	Very high	89.3	Confident	70 Å²	70	52.9 Å²	52.9	49%	0.49	31%	0.305	S	S	.	.	H	α-helix	trans	-61.2	-38	178.4	-59.6	0	0	0	0	112.3	S96 A97 L98 Q102 L103	S96-S100 WeakPolarHBondContact O-CB 3.38Å; S96-S100 PolarHBondContact O-N 3.14Å; S96-S100 PolarHBondContact O-OG 3.39Å; A97-S100 PolarHBondContact O-N 3.31Å; L98-S100 VanDerWaalsContact C-N 3.26Å; L98-S100 PolarHBondContact O-N 3.11Å; S100-Q102 PolarHBondContact O-N 3.48Å; S100-L103 PolarHBondContact O-N 2.66Å
101	C	90.6	Very high	89.7	Confident	24 Å²	24	56.4 Å²	56.4	16%	0.162	32%	0.319	C	S	.	.	H	α-helix	trans	-71	-17.5	-178.9	92.2	0	0	0	0	114.1	A97 L98 T99 L103 C212 N216	A97-C101 PolarHBondContact O-N 3.08Å; L98-C101 PolarHBondContact O-N 3.21Å; L98-C101 VanDerWaalsContact O-N 3.11Å; L98-C101 PolarHBondContact O-SG 2.87Å; T99-C101 VanDerWaalsContact C-N 3.3Å; T99-C101 PolarHBondContact O-N 2.72Å; C101-L103 VanDerWaalsContact C-N 3.35Å; C101-C212 HydrophobicContact CB-CB 3.51Å; C101-C212 WeakPolarHBondContact CB-SG 3.2Å; C101-C212 WeakPolarHBondContact SG-CB 3.07Å; C101-C212 CovalentContact SG-SG 2.03Å; C101-C212 PolarHBondContact SG-SG 3.04Å; C101-N216 PolarHBondContact O-ND2 3.09Å; C101-N216 VanDerWaalsContact O-ND2 3.12Å
102	Q	90.8	Very high	90	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.047	33%	0.33	C	S	.	.	H	α-helix	trans	-78.8	-19.3	174.4	-54.2	-176.1	23.4	0	0	112.7	L98 T99 S100 K162 R163 W166	L98-Q102 WeakPolarHBondContact O-CG 3.26Å; L98-Q102 PolarHBondContact O-N 3.3Å; T99-Q102 WeakPolarHBondContact O-CB 3.33Å; T99-Q102 PolarHBondContact O-N 3.23Å; S100-Q102 PolarHBondContact O-N 3.48Å; Q102-K162 CarbonylContact O-C 3.57Å; Q102-K162 WeakPolarHBondContact O-CA 3.22Å; Q102-R163 PolarHBondContact O-N 2.83Å; Q102-W166 HydrophobicContact CB-CB 4.26Å; Q102-W166 HydrophobicContact CB-CD2 3.98Å; Q102-W166 HydrophobicContact CB-CE3 4.49Å; Q102-W166 HydrophobicContact CB-CG 3.87Å; Q102-W166 HydrophobicContact CG-CD2 3.58Å; Q102-W166 HydrophobicContact CG-CE3 3.68Å; Q102-W166 HydrophobicContact CG-CG 4.02Å; Q102-W166 HydrophobicContact CG-CH2 4.28Å; Q102-W166 HydrophobicContact CG-CZ2 4.23Å; Q102-W166 HydrophobicContact CG-CZ3 4.05Å
103	L	92	Very high	90.3	Very high	60 Å²	60	56.2 Å²	56.2	31%	0.314	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-84.2	147.5	-171.6	-59.9	177.6	0	0	0	112.3	S100 C101 R161 K162 R163	S100-L103 PolarHBondContact O-N 2.66Å; C101-L103 VanDerWaalsContact C-N 3.35Å; L103-R161 WeakPolarHBondContact CA-O 3.45Å; L103-R161 HydrophobicContact CD2-CB 4.16Å; L103-K162 HydrophobicContact CD2-CG 4.41Å; L103-R163 PolarHBondContact O-NE 3.15Å
104	L	93.2	Very high	90.5	Very high	15 Å²	15	49 Å²	49	8%	0.079	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-64.9	155.1	165.2	-75.1	165.3	0	0	0	110.2	E108 L110 V113 R161 R163	L104-E108 HydrophobicContact CB-CB 4.25Å; L104-L110 HydrophobicContact CD1-CD2 4.26Å; L104-L110 HydrophobicContact CD1-CG 4.39Å; L104-V113 HydrophobicContact CD1-CG2 4.36Å; L104-V113 HydrophobicContact CD2-CG1 4.49Å; L104-R161 PolarHBondContact N-O 2.85Å; L104-R163 HydrophobicContact CD2-CG 3.88Å; L104-R163 HydrophobicContact CG-CG 4.13Å
105	P	90	Very high	90.9	Very high	61 Å²	61	50.8 Å²	50.8	40%	0.396	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-46.6	155	168.8	-26.6	34.7	0	0	0	113.3	G107 E108	P105-G107 PolarHBondContact O-N 2.77Å; P105-E108 WeakPolarHBondContact CD-OE2 3.49Å; P105-E108 PolarHBondContact O-N 2.82Å
106	H	84.5	Confident	91.5	Very high	188 Å²	188	60.5 Å²	60.5	87%	0.87	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	133.5	179.3	-72.4	-73	0	0	0	111.4	E108	H106-E108 VanDerWaalsContact C-N 3.32Å
107	G	83.8	Confident	91.9	Very high	73 Å²	73	61.7 Å²	61.7	75%	0.753	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-16.9	179.6	0	0	0	0	0	115	P105	P105-G107 PolarHBondContact O-N 2.77Å
108	E	91.2	Very high	92.2	Very high	84 Å²	84	61.1 Å²	61.1	39%	0.393	33%	0.33	S	S	.	.			trans	-93	153.2	176.2	-64.1	-172.7	148.7	0	0	112.2	L104 P105 H106 R161	L104-E108 HydrophobicContact CB-CB 4.25Å; P105-E108 WeakPolarHBondContact CD-OE2 3.49Å; P105-E108 PolarHBondContact O-N 2.82Å; H106-E108 VanDerWaalsContact C-N 3.32Å; E108-R161 PolarHBondContact O-NE 2.94Å
109	N	94.6	Very high	92.6	Very high	34 Å²	34	62.3 Å²	62.3	18%	0.182	34%	0.335	C	S	.	.			trans	-139	176.3	173.1	63.9	47.7	0	0	0	110.4	Q111 D112 V113 E160	N109-Q111 VanDerWaalsContact CG-CG 3.4Å; N109-Q111 PolarHBondContact ND2-NE2 2.86Å; N109-Q111 PolarHBondContact O-N 3.4Å; N109-Q111 WeakPolarHBondContact OD1-CG 3.21Å; N109-Q111 PolarHBondContact OD1-N 3.24Å; N109-D112 VanDerWaalsContact CG-CG 3.49Å; N109-D112 PolarHBondContact N-OD2 2.64Å; N109-D112 PolarHBondContact ND2-OD2 2.78Å; N109-D112 PolarHBondContact O-N 2.73Å; N109-D112 PolarHBondContact OD1-N 3.38Å; N109-D112 PolarHBondContact OD1-OD1 3.14Å; N109-D112 PolarHBondContact OD1-OD2 3.35Å; N109-V113 PolarHBondContact O-N 2.88Å; N109-E160 CarbonylContact C-O 3.54Å; N109-E160 WeakPolarHBondContact CA-O 3.44Å
110	L	94.3	Very high	93.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-68	-28.2	179.3	-77	179	0	0	0	115.3	L104 D112 V113 L114 Y119 L122 W159 E160 K162 P164 V167	L104-L110 HydrophobicContact CD1-CD2 4.26Å; L104-L110 HydrophobicContact CD1-CG 4.39Å; L110-D112 PolarHBondContact O-N 3.3Å; L110-V113 HydrophobicContact CD2-CG2 4.06Å; L110-L114 HydrophobicContact CB-CD1 4.18Å; L110-L114 HydrophobicContact CB-CG 4.49Å; L110-L114 HydrophobicContact CD2-CD1 3.97Å; L110-L114 HydrophobicContact CD2-CG 4.08Å; L110-L114 HydrophobicContact CG-CD1 4.48Å; L110-L114 VanDerWaalsContact O-CB 3.22Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 WeakPolarHBondContact O-CG 3.27Å; L110-L114 PolarHBondContact O-N 2.7Å; L110-Y119 HydrophobicContact CB-CD2 4.12Å; L110-Y119 HydrophobicContact CB-CE2 4.2Å; L110-L122 HydrophobicContact CD1-CD2 4.2Å; L110-W159 HydrophobicContact CD1-CE3 3.52Å; L110-W159 HydrophobicContact CD1-CZ3 3.71Å; L110-W159 WeakPolarHBondContact CD1-O 3.28Å; L110-E160 PolarHBondContact N-O 3.1Å; L110-K162 WeakPolarHBondContact CD2-O 3.48Å; L110-K162 WeakPolarHBondContact CG-O 3.39Å; L110-P164 HydrophobicContact CD2-CB 4.43Å; L110-P164 HydrophobicContact CD2-CG 3.71Å; L110-V167 HydrophobicContact CD1-CG1 4.47Å; L110-V167 HydrophobicContact CD1-CG2 3.54Å; L110-V167 HydrophobicContact CD2-CG2 4.27Å; L110-V167 HydrophobicContact CG-CG2 4.46Å
111	Q	94.3	Very high	93.4	Very high	117 Å²	117	65.8 Å²	65.8	55%	0.547	34%	0.336	S	S	.	.	H	α-helix	trans	-70.2	-24.8	177.7	58.6	166.7	38.3	0	0	111.6	N109 Y119	N109-Q111 VanDerWaalsContact CG-CG 3.4Å; N109-Q111 PolarHBondContact ND2-NE2 2.86Å; N109-Q111 PolarHBondContact O-N 3.4Å; N109-Q111 WeakPolarHBondContact OD1-CG 3.21Å; N109-Q111 PolarHBondContact OD1-N 3.24Å; Q111-Y119 HydrophobicContact CB-CD1 4.5Å; Q111-Y119 HydrophobicContact CB-CD2 4.13Å; Q111-Y119 HydrophobicContact CB-CE1 4.29Å; Q111-Y119 HydrophobicContact CB-CE2 3.91Å; Q111-Y119 HydrophobicContact CB-CG 4.44Å
112	D	92.7	Very high	93.8	Very high	94 Å²	94	64.6 Å²	64.6	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-79.6	-34.4	179.6	-54.6	-31.1	0	0	0	111.3	N109 L110	N109-D112 VanDerWaalsContact CG-CG 3.49Å; N109-D112 PolarHBondContact N-OD2 2.64Å; N109-D112 PolarHBondContact ND2-OD2 2.78Å; N109-D112 PolarHBondContact O-N 2.73Å; N109-D112 PolarHBondContact OD1-N 3.38Å; N109-D112 PolarHBondContact OD1-OD1 3.14Å; N109-D112 PolarHBondContact OD1-OD2 3.35Å; L110-D112 PolarHBondContact O-N 3.3Å
113	V	93.3	Very high	94.1	Very high	37 Å²	37	68.4 Å²	68.4	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-95.4	-35.2	-176.9	-58.2	0	0	0	0	113.3	L104 N109 L110 P164 F220	L104-V113 HydrophobicContact CD1-CG2 4.36Å; L104-V113 HydrophobicContact CD2-CG1 4.49Å; N109-V113 PolarHBondContact O-N 2.88Å; L110-V113 HydrophobicContact CD2-CG2 4.06Å; V113-P164 HydrophobicContact CG2-CG 3.92Å; V113-F220 HydrophobicContact CB-CE2 4.41Å; V113-F220 WeakPolarHBondContact O-CZ 3.46Å
114	L	96.1	Very high	94.4	Very high	10 Å²	10	74.2 Å²	74.2	5%	0.052	36%	0.362	C	S	.	.	S	Bend	trans	-84.7	147.3	-174.4	-65.8	-177.7	0	0	0	113.2	L110 R116 I118 L122 P164 I224 L227	L110-L114 HydrophobicContact CB-CD1 4.18Å; L110-L114 HydrophobicContact CB-CG 4.49Å; L110-L114 HydrophobicContact CD2-CD1 3.97Å; L110-L114 HydrophobicContact CD2-CG 4.08Å; L110-L114 HydrophobicContact CG-CD1 4.48Å; L110-L114 VanDerWaalsContact O-CB 3.22Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 WeakPolarHBondContact O-CG 3.27Å; L110-L114 PolarHBondContact O-N 2.7Å; L114-R116 PolarHBondContact O-N 2.81Å; L114-I118 HydrophobicContact CD1-CG2 4.48Å; L114-L122 HydrophobicContact CD1-CD2 4.15Å; L114-P164 HydrophobicContact CD2-CB 3.95Å; L114-P164 HydrophobicContact CD2-CG 3.79Å; L114-P164 HydrophobicContact CG-CG 4.48Å; L114-I224 HydrophobicContact CD2-CD1 3.44Å; L114-I224 VanDerWaalsContact CD2-CD1 3.44Å; L114-L227 HydrophobicContact CD1-CD2 3.97Å; L114-L227 HydrophobicContact CD2-CD2 3.96Å
115	P	96.9	Very high	94.5	Very high	49 Å²	49	73.7 Å²	73.7	32%	0.318	36%	0.359	S	S	.	.			trans	-53.1	138	163.7	-26.2	35.9	0	0	0	111.8	D117 I118 Y119 I224	P115-D117 VanDerWaalsContact CB-OD1 3.29Å; P115-D117 WeakPolarHBondContact CB-OD1 3.42Å; P115-D117 PolarHBondContact O-N 3.42Å; P115-D117 VanDerWaalsContact O-N 3.15Å; P115-I118 HydrophobicContact CB-CB 4.48Å; P115-I118 HydrophobicContact CB-CD1 4.3Å; P115-I118 HydrophobicContact CB-CG1 4.33Å; P115-I118 HydrophobicContact CG-CD1 4.08Å; P115-I118 PolarHBondContact O-N 3.05Å; P115-I118 VanDerWaalsContact O-N 3.09Å; P115-Y119 PolarHBondContact O-N 3.37Å; P115-I224 HydrophobicContact CG-CD1 4.37Å; P115-I224 HydrophobicContact CG-CG2 4.36Å
116	R	96.5	Very high	94.9	Very high	214 Å²	214	70.9 Å²	70.9	81%	0.808	34%	0.341	S	S	*	.	H	α-helix	trans	-56	-35.3	-173.1	-72.7	-176.8	174.1	-177	-1.5	113.5	L114 K120	L114-R116 PolarHBondContact O-N 2.81Å; R116-K120 WeakPolarHBondContact O-CB 3.46Å; R116-K120 VanDerWaalsContact O-CG 3.24Å; R116-K120 WeakPolarHBondContact O-CG 3.2Å; R116-K120 PolarHBondContact O-N 2.95Å; R116-K120 VanDerWaalsContact O-N 3.17Å
117	D	97.1	Very high	95.5	Very high	95 Å²	95	67 Å²	67	51%	0.508	32%	0.323	S	S	.	.	H	α-helix	trans	-71.5	-43.4	179	64.7	-58.1	0	0	0	111.8	P115 K120 R121	P115-D117 VanDerWaalsContact CB-OD1 3.29Å; P115-D117 WeakPolarHBondContact CB-OD1 3.42Å; P115-D117 PolarHBondContact O-N 3.42Å; P115-D117 VanDerWaalsContact O-N 3.15Å; D117-K120 PolarHBondContact O-N 2.67Å; D117-R121 WeakPolarHBondContact O-CG 3.34Å; D117-R121 PolarHBondContact O-N 2.86Å
118	I	97.1	Very high	96.1	Very high	6 Å²	6	67.1 Å²	67.1	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-47.2	176.6	-63.9	-179.6	0	0	0	110.3	L114 P115 K120 R121 L122 I224 L227 N228 L231	L114-I118 HydrophobicContact CD1-CG2 4.48Å; P115-I118 HydrophobicContact CB-CB 4.48Å; P115-I118 HydrophobicContact CB-CD1 4.3Å; P115-I118 HydrophobicContact CB-CG1 4.33Å; P115-I118 HydrophobicContact CG-CD1 4.08Å; P115-I118 PolarHBondContact O-N 3.05Å; P115-I118 VanDerWaalsContact O-N 3.09Å; I118-K120 VanDerWaalsContact C-N 3.32Å; I118-K120 PolarHBondContact O-N 2.92Å; I118-R121 PolarHBondContact O-N 2.99Å; I118-R121 VanDerWaalsContact O-N 3.14Å; I118-L122 WeakPolarHBondContact O-CB 3.38Å; I118-L122 PolarHBondContact O-N 3.12Å; I118-I224 HydrophobicContact CD1-CG2 3.6Å; I118-L227 HydrophobicContact CG2-CD2 3.86Å; I118-L227 HydrophobicContact CG2-CG 4.19Å; I118-N228 HydrophobicContact CD1-CB 4.3Å; I118-L231 HydrophobicContact CG2-CD1 4.08Å
119	Y	97.9	Very high	96.3	Very high	26 Å²	26	63.1 Å²	63.1	10%	0.102	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-44.8	176.9	176.4	-92	0	0	0	111.6	L110 Q111 P115 R121 L122 K123 W159 E160	L110-Y119 HydrophobicContact CB-CD2 4.12Å; L110-Y119 HydrophobicContact CB-CE2 4.2Å; Q111-Y119 HydrophobicContact CB-CD1 4.5Å; Q111-Y119 HydrophobicContact CB-CD2 4.13Å; Q111-Y119 HydrophobicContact CB-CE1 4.29Å; Q111-Y119 HydrophobicContact CB-CE2 3.91Å; Q111-Y119 HydrophobicContact CB-CG 4.44Å; P115-Y119 PolarHBondContact O-N 3.37Å; Y119-R121 PolarHBondContact O-N 2.98Å; Y119-L122 PolarHBondContact O-N 3.44Å; Y119-K123 HydrophobicContact CE1-CD 4.28Å; Y119-K123 WeakPolarHBondContact O-CB 3.42Å; Y119-K123 PolarHBondContact O-N 3.26Å; Y119-W159 HydrophobicContact CD2-CH2 4.28Å; Y119-W159 HydrophobicContact CD2-CZ3 4.31Å; Y119-W159 AromaticContact CE2-CH2 3.63Å; Y119-W159 HydrophobicContact CE2-CH2 3.63Å; Y119-W159 AromaticContact CE2-CZ3 3.91Å; Y119-W159 HydrophobicContact CE2-CZ3 3.91Å; Y119-W159 AromaticContact CZ-CH2 3.99Å; Y119-E160 PolarHBondContact OH-OE1 3.5Å
120	K	97.8	Very high	96.3	Very high	125 Å²	125	66 Å²	66	54%	0.543	29%	0.294	S	S	.	.	H	α-helix	trans	-63.4	-39.8	175.9	-76.4	175.8	-177.5	180	0	112.7	R116 D117 I118 R124	R116-K120 WeakPolarHBondContact O-CB 3.46Å; R116-K120 VanDerWaalsContact O-CG 3.24Å; R116-K120 WeakPolarHBondContact O-CG 3.2Å; R116-K120 PolarHBondContact O-N 2.95Å; R116-K120 VanDerWaalsContact O-N 3.17Å; D117-K120 PolarHBondContact O-N 2.67Å; I118-K120 VanDerWaalsContact C-N 3.32Å; I118-K120 PolarHBondContact O-N 2.92Å; K120-R124 VanDerWaalsContact O-CG 3.3Å; K120-R124 WeakPolarHBondContact O-CG 3.43Å; K120-R124 PolarHBondContact O-N 2.83Å; K120-R124 VanDerWaalsContact O-N 3.11Å
121	R	97.7	Very high	96.5	Very high	59 Å²	59	71.7 Å²	71.7	22%	0.223	32%	0.324	C	S	.	.	H	α-helix	trans	-65.7	-45.9	176.8	-77.4	174.1	67	-156.5	0.9	111.6	D117 I118 Y119 R124 H125 N228 L231 E235	D117-R121 WeakPolarHBondContact O-CG 3.34Å; D117-R121 PolarHBondContact O-N 2.86Å; I118-R121 PolarHBondContact O-N 2.99Å; I118-R121 VanDerWaalsContact O-N 3.14Å; Y119-R121 PolarHBondContact O-N 2.98Å; R121-R124 PolarHBondContact O-N 3.25Å; R121-H125 WeakPolarHBondContact O-CB 3.4Å; R121-H125 PolarHBondContact O-N 3.17Å; R121-N228 PolarHBondContact NH1-OD1 2.92Å; R121-L231 HydrophobicContact CB-CD1 4.26Å; R121-E235 IonicContact CZ-OE1 3.3Å; R121-E235 IonicContact CZ-OE2 2.78Å; R121-E235 IonicContact NE-OE1 3.64Å; R121-E235 PolarHBondContact NE-OE1 3.09Å; R121-E235 VanDerWaalsContact NE-OE1 3.11Å; R121-E235 IonicContact NE-OE2 3.45Å; R121-E235 IonicContact NH2-OE1 2.65Å; R121-E235 PolarHBondContact NH2-OE1 2.97Å; R121-E235 IonicContact NH2-OE2 3.64Å; R121-E235 PolarHBondContact NH2-OE2 2.92Å
122	L	97.7	Very high	96.5	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.1	-51.7	174.6	173.1	61.9	0	0	0	111.4	L110 L114 I118 Y119 R124 H125 L126 W159 V167 V171 L231	L110-L122 HydrophobicContact CD1-CD2 4.2Å; L114-L122 HydrophobicContact CD1-CD2 4.15Å; I118-L122 WeakPolarHBondContact O-CB 3.38Å; I118-L122 PolarHBondContact O-N 3.12Å; Y119-L122 PolarHBondContact O-N 3.44Å; L122-R124 VanDerWaalsContact C-N 3.34Å; L122-R124 PolarHBondContact O-N 3.32Å; L122-H125 WeakPolarHBondContact O-CA 3.27Å; L122-H125 WeakPolarHBondContact O-CB 3.46Å; L122-H125 PolarHBondContact O-N 3.09Å; L122-L126 HydrophobicContact CD1-CD1 3.97Å; L122-L126 HydrophobicContact CD1-CG 4.07Å; L122-L126 HydrophobicContact CG-CD1 4.17Å; L122-L126 PolarHBondContact O-N 3.4Å; L122-W159 HydrophobicContact CD2-CE3 3.8Å; L122-W159 HydrophobicContact CD2-CH2 4.38Å; L122-W159 HydrophobicContact CD2-CZ3 3.42Å; L122-W159 VanDerWaalsContact CD2-CZ3 3.42Å; L122-W159 HydrophobicContact CG-CE3 4.23Å; L122-W159 HydrophobicContact CG-CH2 4.43Å; L122-W159 HydrophobicContact CG-CZ3 3.83Å; L122-V167 HydrophobicContact CD1-CG1 3.72Å; L122-V167 HydrophobicContact CD2-CG1 3.48Å; L122-V167 VanDerWaalsContact CD2-CG1 3.48Å; L122-V167 HydrophobicContact CG-CG1 4.23Å; L122-V171 HydrophobicContact CD1-CG2 3.57Å; L122-L231 HydrophobicContact CB-CD1 4.22Å; L122-L231 HydrophobicContact CB-CD2 4.45Å; L122-L231 HydrophobicContact CD1-CD2 4.24Å
123	K	97.8	Very high	96.6	Very high	90 Å²	90	62.8 Å²	62.8	39%	0.391	28%	0.279	S	S	.	.	H	α-helix	trans	-55.7	-48	178.4	-173.4	166.5	-173.5	157.1	0	111.8	Y119 H125 L126 E127 W159	Y119-K123 HydrophobicContact CE1-CD 4.28Å; Y119-K123 WeakPolarHBondContact O-CB 3.42Å; Y119-K123 PolarHBondContact O-N 3.26Å; K123-H125 VanDerWaalsContact C-N 3.28Å; K123-H125 PolarHBondContact O-N 2.78Å; K123-L126 PolarHBondContact O-N 3.29Å; K123-E127 WeakPolarHBondContact O-CG 3.36Å; K123-E127 PolarHBondContact O-N 3.36Å; K123-W159 HydrophobicContact CB-CH2 4.11Å; K123-W159 HydrophobicContact CB-CZ2 4.3Å; K123-W159 HydrophobicContact CG-CH2 4.5Å; K123-W159 HydrophobicContact CG-CZ2 4.25Å
124	R	97.6	Very high	96.7	Very high	182 Å²	182	64.2 Å²	64.2	69%	0.687	29%	0.289	S	S	*	.	H	α-helix	trans	-60.9	-36.6	175.2	-71.2	174	-170.8	174.2	2.6	112.7	K120 R121 L122 Y128	K120-R124 VanDerWaalsContact O-CG 3.3Å; K120-R124 WeakPolarHBondContact O-CG 3.43Å; K120-R124 PolarHBondContact O-N 2.83Å; K120-R124 VanDerWaalsContact O-N 3.11Å; R121-R124 PolarHBondContact O-N 3.25Å; L122-R124 VanDerWaalsContact C-N 3.34Å; L122-R124 PolarHBondContact O-N 3.32Å; R124-Y128 PolarHBondContact O-N 3.35Å; R124-Y128 VanDerWaalsContact O-N 3.13Å
125	H	96.7	Very high	96.6	Very high	3 Å²	3	66.5 Å²	66.5	1%	0.014	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-46.6	177.1	-179.5	86.2	0	0	0	111.4	R121 L122 K123 Y128 V129 L231 R238	R121-H125 WeakPolarHBondContact O-CB 3.4Å; R121-H125 PolarHBondContact O-N 3.17Å; L122-H125 WeakPolarHBondContact O-CA 3.27Å; L122-H125 WeakPolarHBondContact O-CB 3.46Å; L122-H125 PolarHBondContact O-N 3.09Å; K123-H125 VanDerWaalsContact C-N 3.28Å; K123-H125 PolarHBondContact O-N 2.78Å; H125-Y128 WeakPolarHBondContact O-CB 3.48Å; H125-Y128 PolarHBondContact O-N 3.19Å; H125-V129 WeakPolarHBondContact NE2-CG2 3.05Å; H125-V129 WeakPolarHBondContact O-CG2 3.45Å; H125-V129 PolarHBondContact O-N 3.2Å; H125-L231 HydrophobicContact CB-CD2 4.08Å; H125-R238 VanDerWaalsContact ND1-CZ 3.32Å; H125-R238 PolarHBondContact ND1-NH1 3.18Å
126	L	97.1	Very high	96.5	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-38.1	178.9	-65	176	0	0	0	112.4	L122 K123 Y128 V129 K130 F152 W159 M170 V171 L174	L122-L126 HydrophobicContact CD1-CD1 3.97Å; L122-L126 HydrophobicContact CD1-CG 4.07Å; L122-L126 HydrophobicContact CG-CD1 4.17Å; L122-L126 PolarHBondContact O-N 3.4Å; K123-L126 PolarHBondContact O-N 3.29Å; L126-Y128 VanDerWaalsContact C-N 3.33Å; L126-Y128 PolarHBondContact O-N 2.84Å; L126-V129 PolarHBondContact O-N 3.36Å; L126-K130 WeakPolarHBondContact O-CB 3.43Å; L126-K130 PolarHBondContact O-N 3.23Å; L126-F152 HydrophobicContact CB-CZ 4.39Å; L126-W159 HydrophobicContact CD1-CB 4.23Å; L126-W159 HydrophobicContact CD1-CD2 3.26Å; L126-W159 VanDerWaalsContact CD1-CE2 3.47Å; L126-W159 HydrophobicContact CD1-CE3 3.68Å; L126-W159 HydrophobicContact CD1-CG 3.5Å; L126-W159 HydrophobicContact CD1-CH2 4.43Å; L126-W159 HydrophobicContact CD1-CZ2 4.07Å; L126-W159 HydrophobicContact CD1-CZ3 4.26Å; L126-M170 HydrophobicContact CD1-CE 4.21Å; L126-M170 HydrophobicContact CD2-CE 3.86Å; L126-V171 HydrophobicContact CD2-CG2 4.31Å; L126-L174 HydrophobicContact CD2-CD1 3.72Å
127	E	96.9	Very high	96.3	Very high	106 Å²	106	55 Å²	55	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-40.3	172.5	-70.4	-56.8	157.6	0	0	112.3	K123 K130 L131	K123-E127 WeakPolarHBondContact O-CG 3.36Å; K123-E127 PolarHBondContact O-N 3.36Å; E127-K130 PolarHBondContact O-N 3.12Å; E127-L131 WeakPolarHBondContact O-CB 3.31Å; E127-L131 PolarHBondContact O-N 2.68Å
128	Y	96.4	Very high	96	Very high	76 Å²	76	52.1 Å²	52.1	30%	0.298	24%	0.242	S	C	.	.	H	α-helix	trans	-60.6	-46	172.3	163.4	-89.3	0	0	0	111.7	R124 H125 L126 L131 M132 W136 R238	R124-Y128 PolarHBondContact O-N 3.35Å; R124-Y128 VanDerWaalsContact O-N 3.13Å; H125-Y128 WeakPolarHBondContact O-CB 3.48Å; H125-Y128 PolarHBondContact O-N 3.19Å; L126-Y128 VanDerWaalsContact C-N 3.33Å; L126-Y128 PolarHBondContact O-N 2.84Å; Y128-L131 PolarHBondContact O-N 3.2Å; Y128-M132 HydrophobicContact CD1-CG 4.34Å; Y128-M132 HydrophobicContact CD2-CG 4.03Å; Y128-M132 HydrophobicContact CE1-CG 3.89Å; Y128-M132 HydrophobicContact CE2-CG 3.57Å; Y128-M132 HydrophobicContact CE2-SD 4.08Å; Y128-M132 HydrophobicContact CG-CG 4.4Å; Y128-M132 VanDerWaalsContact CZ-CG 3.49Å; Y128-M132 WeakPolarHBondContact O-CB 3.44Å; Y128-M132 VanDerWaalsContact O-CG 3.23Å; Y128-M132 WeakPolarHBondContact O-CG 3.39Å; Y128-M132 PolarHBondContact O-N 3.37Å; Y128-W136 AromaticContact CE1-CH2 3.96Å; Y128-W136 HydrophobicContact CE1-CH2 3.96Å; Y128-W136 HydrophobicContact CE1-CZ2 4.01Å; Y128-R238 VanDerWaalsContact CD1-NH1 3.34Å; Y128-R238 HydrophobicContact CE1-CG 3.88Å; Y128-R238 VanDerWaalsContact CZ-CD 3.44Å
129	V	95.8	Very high	95.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-47.6	178.9	165.9	0	0	0	0	110.4	H125 L126 L131 M132 M133 W136 F152 L174	H125-V129 WeakPolarHBondContact NE2-CG2 3.05Å; H125-V129 WeakPolarHBondContact O-CG2 3.45Å; H125-V129 PolarHBondContact O-N 3.2Å; L126-V129 PolarHBondContact O-N 3.36Å; V129-L131 VanDerWaalsContact C-N 3.31Å; V129-L131 PolarHBondContact O-N 3.36Å; V129-M132 PolarHBondContact O-N 3.33Å; V129-M133 HydrophobicContact CG1-CE 3.89Å; V129-M133 PolarHBondContact O-N 3.03Å; V129-W136 HydrophobicContact CB-CZ3 4.44Å; V129-W136 HydrophobicContact CG1-CZ3 4.04Å; V129-W136 HydrophobicContact CG2-CH2 4.24Å; V129-W136 HydrophobicContact CG2-CZ3 4.27Å; V129-F152 HydrophobicContact CB-CE2 4.41Å; V129-F152 HydrophobicContact CG1-CD2 4.13Å; V129-F152 HydrophobicContact CG1-CE2 4.02Å; V129-L174 HydrophobicContact CG1-CB 4.21Å; V129-L174 HydrophobicContact CG1-CD1 4.35Å; V129-L174 HydrophobicContact CG1-CD2 4.04Å; V129-L174 HydrophobicContact CG1-CG 4.44Å; V129-L174 HydrophobicContact CG2-CB 4.32Å
130	K	95.8	Very high	95.2	Very high	95 Å²	95	61.1 Å²	61.1	41%	0.413	30%	0.298	S	S	.	.	H	α-helix	trans	-55.3	-45.5	177.2	-171.2	174.7	-179.7	176.1	0	111.9	L126 E127 M132 M133 F152	L126-K130 WeakPolarHBondContact O-CB 3.43Å; L126-K130 PolarHBondContact O-N 3.23Å; E127-K130 PolarHBondContact O-N 3.12Å; K130-M132 VanDerWaalsContact C-N 3.33Å; K130-M132 PolarHBondContact O-N 2.7Å; K130-M133 WeakPolarHBondContact O-CB 3.23Å; K130-M133 PolarHBondContact O-N 3.46Å; K130-F152 HydrophobicContact CB-CD1 4.47Å; K130-F152 HydrophobicContact CB-CD2 3.87Å; K130-F152 HydrophobicContact CB-CE1 4.34Å; K130-F152 HydrophobicContact CB-CE2 3.72Å; K130-F152 HydrophobicContact CB-CG 4.25Å; K130-F152 HydrophobicContact CB-CZ 3.96Å; K130-F152 HydrophobicContact CD-CD1 4.13Å; K130-F152 HydrophobicContact CD-CE1 4Å; K130-F152 HydrophobicContact CD-CZ 4.36Å; K130-F152 HydrophobicContact CG-CD1 4.13Å; K130-F152 HydrophobicContact CG-CD2 4.25Å; K130-F152 HydrophobicContact CG-CE1 4.29Å; K130-F152 HydrophobicContact CG-CE2 4.4Å; K130-F152 HydrophobicContact CG-CG 4.11Å; K130-F152 HydrophobicContact CG-CZ 4.42Å
131	L	96.6	Very high	94.8	Very high	119 Å²	119	55.6 Å²	55.6	62%	0.623	27%	0.274	S	S	*	.	H	α-helix	trans	-66.2	-33.2	176.9	-176.1	124.8	0	0	0	112.9	E127 Y128 V129 P134	E127-L131 WeakPolarHBondContact O-CB 3.31Å; E127-L131 PolarHBondContact O-N 2.68Å; Y128-L131 PolarHBondContact O-N 3.2Å; V129-L131 VanDerWaalsContact C-N 3.31Å; V129-L131 PolarHBondContact O-N 3.36Å; L131-P134 WeakPolarHBondContact O-CD 3.48Å
132	M	95.9	Very high	94.3	Very high	24 Å²	24	58.9 Å²	58.9	12%	0.118	29%	0.286	C	S	.	.	H	α-helix	trans	-83.3	-23.2	-178.5	-70.2	-65.9	-62.5	0	0	113.8	Y128 V129 K130 P134 S135 W136	Y128-M132 HydrophobicContact CD1-CG 4.34Å; Y128-M132 HydrophobicContact CD2-CG 4.03Å; Y128-M132 HydrophobicContact CE1-CG 3.89Å; Y128-M132 HydrophobicContact CE2-CG 3.57Å; Y128-M132 HydrophobicContact CE2-SD 4.08Å; Y128-M132 HydrophobicContact CG-CG 4.4Å; Y128-M132 VanDerWaalsContact CZ-CG 3.49Å; Y128-M132 WeakPolarHBondContact O-CB 3.44Å; Y128-M132 VanDerWaalsContact O-CG 3.23Å; Y128-M132 WeakPolarHBondContact O-CG 3.39Å; Y128-M132 PolarHBondContact O-N 3.37Å; V129-M132 PolarHBondContact O-N 3.33Å; K130-M132 VanDerWaalsContact C-N 3.33Å; K130-M132 PolarHBondContact O-N 2.7Å; M132-P134 VanDerWaalsContact C-CD 3.45Å; M132-S135 WeakPolarHBondContact O-CA 3.47Å; M132-S135 WeakPolarHBondContact O-CB 3.34Å; M132-S135 PolarHBondContact O-N 3.2Å; M132-S135 PolarHBondContact O-OG 3.36Å; M132-W136 HydrophobicContact CB-CD2 3.92Å; M132-W136 HydrophobicContact CB-CE3 4.25Å; M132-W136 HydrophobicContact CB-CH2 3.93Å; M132-W136 HydrophobicContact CB-CZ2 3.54Å; M132-W136 HydrophobicContact CB-CZ3 4.27Å; M132-W136 HydrophobicContact CE-CZ2 4.17Å; M132-W136 HydrophobicContact CG-CZ2 4.05Å; M132-W136 PolarHBondContact O-N 3.29Å
133	M	93.9	Very high	93.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-46.7	-48.9	-176.2	-163	71.4	75.6	0	0	113.4	V129 K130 S135 W136 M137 A148 L151 F152 L174 I179	V129-M133 HydrophobicContact CG1-CE 3.89Å; V129-M133 PolarHBondContact O-N 3.03Å; K130-M133 WeakPolarHBondContact O-CB 3.23Å; K130-M133 PolarHBondContact O-N 3.46Å; M133-S135 PolarHBondContact O-N 2.95Å; M133-S135 VanDerWaalsContact O-N 3.12Å; M133-W136 PolarHBondContact O-N 3.47Å; M133-M137 HydrophobicContact CG-SD 4.45Å; M133-M137 WeakPolarHBondContact O-CG 3.44Å; M133-M137 PolarHBondContact O-N 3.25Å; M133-M137 VanDerWaalsContact O-N 3.09Å; M133-A148 HydrophobicContact CB-CB 4.09Å; M133-A148 HydrophobicContact CG-CB 3.92Å; M133-A148 WeakPolarHBondContact CG-O 3.33Å; M133-L151 HydrophobicContact SD-CD2 4.2Å; M133-F152 HydrophobicContact CE-CB 3.8Å; M133-F152 HydrophobicContact CE-CD2 3.65Å; M133-F152 HydrophobicContact CE-CG 4.22Å; M133-L174 HydrophobicContact CE-CD2 4.49Å; M133-I179 HydrophobicContact CE-CD1 4.03Å; M133-I179 HydrophobicContact CE-CG1 4.47Å; M133-I179 HydrophobicContact SD-CB 4.35Å; M133-I179 HydrophobicContact SD-CD1 3.64Å; M133-I179 HydrophobicContact SD-CG1 3.72Å; M133-I179 HydrophobicContact SD-CG2 3.66Å
134	P	94.6	Very high	93	Very high	67 Å²	67	65.2 Å²	65.2	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-27.9	178.9	-20.9	32.6	0	0	0	113.7	L131 M132 R142 A148	L131-P134 WeakPolarHBondContact O-CD 3.48Å; M132-P134 VanDerWaalsContact C-CD 3.45Å; P134-R142 PolarHBondContact O-NH2 3.36Å; P134-A148 HydrophobicContact CB-CB 4.22Å; P134-A148 HydrophobicContact CG-CB 3.69Å
135	S	95.6	Very high	92.2	Very high	58 Å²	58	58.3 Å²	58.3	41%	0.406	32%	0.32	S	S	.	.	H	α-helix	trans	-85.4	-16.9	178.4	76.8	0	0	0	0	113.7	M132 M133 K428	M132-S135 WeakPolarHBondContact O-CA 3.47Å; M132-S135 WeakPolarHBondContact O-CB 3.34Å; M132-S135 PolarHBondContact O-N 3.2Å; M132-S135 PolarHBondContact O-OG 3.36Å; M133-S135 PolarHBondContact O-N 2.95Å; M133-S135 VanDerWaalsContact O-N 3.12Å; S135-K428 PolarHBondContact OG-NZ 3.38Å
136	W	94.3	Very high	91.5	Very high	14 Å²	14	59.3 Å²	59.3	5%	0.053	33%	0.326	C	S	.	.	H	α-helix	trans	-90.8	-31.6	178.7	-66.1	-14.5	0	0	0	112.5	Y128 V129 M132 M133 L174 E176 I179 K180	Y128-W136 AromaticContact CE1-CH2 3.96Å; Y128-W136 HydrophobicContact CE1-CH2 3.96Å; Y128-W136 HydrophobicContact CE1-CZ2 4.01Å; V129-W136 HydrophobicContact CB-CZ3 4.44Å; V129-W136 HydrophobicContact CG1-CZ3 4.04Å; V129-W136 HydrophobicContact CG2-CH2 4.24Å; V129-W136 HydrophobicContact CG2-CZ3 4.27Å; M132-W136 HydrophobicContact CB-CD2 3.92Å; M132-W136 HydrophobicContact CB-CE3 4.25Å; M132-W136 HydrophobicContact CB-CH2 3.93Å; M132-W136 HydrophobicContact CB-CZ2 3.54Å; M132-W136 HydrophobicContact CB-CZ3 4.27Å; M132-W136 HydrophobicContact CE-CZ2 4.17Å; M132-W136 HydrophobicContact CG-CZ2 4.05Å; M132-W136 PolarHBondContact O-N 3.29Å; M133-W136 PolarHBondContact O-N 3.47Å; W136-L174 WeakPolarHBondContact CZ3-O 3.1Å; W136-E176 HydrophobicContact CB-CB 4.22Å; W136-E176 HydrophobicContact CB-CG 3.93Å; W136-E176 HydrophobicContact CD2-CB 3.82Å; W136-E176 HydrophobicContact CD2-CG 4.36Å; W136-E176 HydrophobicContact CG-CB 3.63Å; W136-E176 HydrophobicContact CG-CG 3.64Å; W136-I179 HydrophobicContact CB-CB 4.17Å; W136-I179 HydrophobicContact CB-CG2 3.86Å; W136-I179 HydrophobicContact CE3-CG1 3.99Å; W136-K180 WeakPolarHBondContact O-CG 3.43Å
137	M	91.2	Very high	91.1	Very high	8 Å²	8	66.6 Å²	66.6	4%	0.039	35%	0.354	C	S	.	.	S	Bend	trans	-64.4	141.2	178.5	-66.9	175.9	82.8	0	0	113.4	M133 Q141 R142 L146 A148 L151 I179	M133-M137 HydrophobicContact CG-SD 4.45Å; M133-M137 WeakPolarHBondContact O-CG 3.44Å; M133-M137 PolarHBondContact O-N 3.25Å; M133-M137 VanDerWaalsContact O-N 3.09Å; M137-Q141 VanDerWaalsContact CA-OE1 3.31Å; M137-Q141 HydrophobicContact CE-CB 4.3Å; M137-R142 PolarHBondContact O-NH2 2.03Å; M137-L146 HydrophobicContact CE-CB 3.87Å; M137-L146 WeakPolarHBondContact CE-O 3.16Å; M137-A148 WeakPolarHBondContact SD-CA 3.41Å; M137-A148 HydrophobicContact SD-CB 3.62Å; M137-L151 HydrophobicContact CE-CD2 4.18Å; M137-L151 HydrophobicContact CG-CD2 4.18Å; M137-L151 HydrophobicContact SD-CD2 4.44Å; M137-I179 HydrophobicContact CG-CG2 4.12Å
138	T	91.3	Very high	90.9	Very high	33 Å²	33	62.6 Å²	62.6	20%	0.202	34%	0.339	C	S	.	.			trans	-78.6	158.6	176.7	71	0	0	0	0	111.9	D140 Q141 R142 K180	T138-D140 VanDerWaalsContact C-N 3.25Å; T138-D140 PolarHBondContact O-N 2.91Å; T138-Q141 PolarHBondContact O-N 3.3Å; T138-Q141 VanDerWaalsContact OG1-CG 3.29Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.26Å; T138-Q141 PolarHBondContact OG1-N 2.92Å; T138-Q141 PolarHBondContact OG1-OE1 2.82Å; T138-R142 PolarHBondContact O-N 2.85Å; T138-K180 HydrophobicContact CG2-CB 4.03Å; T138-K180 HydrophobicContact CG2-CG 3.89Å
139	P	91	Very high	90.6	Very high	101 Å²	101	63.6 Å²	63.6	66%	0.656	35%	0.349	S	S	*	.	H	α-helix	trans	-57.4	-39.2	171.3	-25	35.6	0	0	0	112.7	Q141 R142 G143	P139-Q141 PolarHBondContact O-N 3.23Å; P139-R142 PolarHBondContact O-N 3.17Å; P139-G143 PolarHBondContact O-N 3.07Å
140	D	88.1	Confident	90.2	Very high	121 Å²	121	67.7 Å²	67.7	65%	0.647	37%	0.365	S	S	*	.	H	α-helix	trans	-64.5	-40	-178.4	-60.2	-15.4	0	0	0	112.1	T138 R142 G143 K144	T138-D140 VanDerWaalsContact C-N 3.25Å; T138-D140 PolarHBondContact O-N 2.91Å; D140-R142 VanDerWaalsContact C-N 3.32Å; D140-R142 PolarHBondContact O-N 3.29Å; D140-G143 PolarHBondContact O-N 3.12Å; D140-K144 WeakPolarHBondContact O-CG 3.2Å; D140-K144 PolarHBondContact O-N 3.47Å
141	Q	88.8	Confident	89.9	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-59.6	-44.1	174.3	-74.3	171.2	-40.3	0	0	111.4	M137 T138 P139 K144 L146 I179 R182	M137-Q141 VanDerWaalsContact CA-OE1 3.31Å; M137-Q141 HydrophobicContact CE-CB 4.3Å; T138-Q141 PolarHBondContact O-N 3.3Å; T138-Q141 VanDerWaalsContact OG1-CG 3.29Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.26Å; T138-Q141 PolarHBondContact OG1-N 2.92Å; T138-Q141 PolarHBondContact OG1-OE1 2.82Å; P139-Q141 PolarHBondContact O-N 3.23Å; Q141-K144 PolarHBondContact O-N 2.82Å; Q141-L146 HydrophobicContact CB-CB 4.41Å; Q141-L146 HydrophobicContact CB-CD1 4.18Å; Q141-L146 HydrophobicContact CG-CD1 4.24Å; Q141-L146 WeakPolarHBondContact O-CB 3.29Å; Q141-L146 PolarHBondContact O-N 3.34Å; Q141-I179 PolarHBondContact NE2-O 2.9Å; Q141-R182 PolarHBondContact NE2-O 3.01Å
142	R	87.1	Confident	89.6	Confident	128 Å²	128	58.2 Å²	58.2	48%	0.483	32%	0.319	S	S	.	.	H	α-helix	trans	-67.7	-38.4	177.2	-60.2	178.1	-154.6	165.3	8.9	111.9	P134 M137 T138 P139 D140 K144 G145	P134-R142 PolarHBondContact O-NH2 3.36Å; M137-R142 PolarHBondContact O-NH2 2.03Å; T138-R142 PolarHBondContact O-N 2.85Å; P139-R142 PolarHBondContact O-N 3.17Å; D140-R142 VanDerWaalsContact C-N 3.32Å; D140-R142 PolarHBondContact O-N 3.29Å; R142-K144 PolarHBondContact O-N 3.21Å; R142-G145 PolarHBondContact O-N 3.29Å
143	G	85.1	Confident	89.4	Confident	73 Å²	73	61.4 Å²	61.4	75%	0.753	34%	0.337	S	S	*	.	H	α-helix	trans	-62.4	-26.9	174.9	0	0	0	0	0	113.2	P139 D140 G145	P139-G143 PolarHBondContact O-N 3.07Å; D140-G143 PolarHBondContact O-N 3.12Å; G143-G145 VanDerWaalsContact C-N 3.31Å
144	K	82.8	Confident	89	Confident	150 Å²	150	61.8 Å²	61.8	65%	0.652	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	5.5	172.9	-67.8	175.2	-178.1	-177	0	114	D140 Q141 R142	D140-K144 WeakPolarHBondContact O-CG 3.2Å; D140-K144 PolarHBondContact O-N 3.47Å; Q141-K144 PolarHBondContact O-N 2.82Å; R142-K144 PolarHBondContact O-N 3.21Å
145	G	81.4	Confident	88.6	Confident	37 Å²	37	58.6 Å²	58.6	38%	0.381	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	12.4	179.7	0	0	0	0	0	115.1	R142 G143 Y147	R142-G145 PolarHBondContact O-N 3.29Å; G143-G145 VanDerWaalsContact C-N 3.31Å; G145-Y147 VanDerWaalsContact O-CD2 3.29Å; G145-Y147 WeakPolarHBondContact O-CD2 3.33Å; G145-Y147 VanDerWaalsContact O-CE2 3.3Å; G145-Y147 WeakPolarHBondContact O-CE2 3.12Å
146	L	82.8	Confident	88.4	Confident	25 Å²	25	55.9 Å²	55.9	13%	0.131	30%	0.3	C	S	.	.			trans	-79.8	122	171.6	-60.9	173.5	0	0	0	109.9	M137 Q141 Y150	M137-L146 HydrophobicContact CE-CB 3.87Å; M137-L146 WeakPolarHBondContact CE-O 3.16Å; Q141-L146 HydrophobicContact CB-CB 4.41Å; Q141-L146 HydrophobicContact CB-CD1 4.18Å; Q141-L146 HydrophobicContact CG-CD1 4.24Å; Q141-L146 WeakPolarHBondContact O-CB 3.29Å; Q141-L146 PolarHBondContact O-N 3.34Å; L146-Y150 HydrophobicContact CD2-CD1 4.16Å; L146-Y150 HydrophobicContact CD2-CE1 4.03Å
147	Y	88.6	Confident	88.2	Confident	156 Å²	156	56.1 Å²	56.1	61%	0.612	31%	0.307	S	S	*	.			trans	-103.7	155	174.4	-56.4	-78.5	0	0	0	111.3	G145 D149 Y150 L151	G145-Y147 VanDerWaalsContact O-CD2 3.29Å; G145-Y147 WeakPolarHBondContact O-CD2 3.33Å; G145-Y147 VanDerWaalsContact O-CE2 3.3Å; G145-Y147 WeakPolarHBondContact O-CE2 3.12Å; Y147-D149 WeakPolarHBondContact CB-OD1 3.12Å; Y147-D149 PolarHBondContact O-N 2.99Å; Y147-Y150 PolarHBondContact O-N 3.01Å; Y147-L151 WeakPolarHBondContact O-CB 3.46Å; Y147-L151 PolarHBondContact O-N 2.79Å
148	A	91.4	Very high	88.1	Confident	21 Å²	21	62.1 Å²	62.1	17%	0.174	34%	0.339	C	S	.	.	H	α-helix	trans	-66.7	-38.7	-171.5	0	0	0	0	0	113.4	M133 P134 M137 F152	M133-A148 HydrophobicContact CB-CB 4.09Å; M133-A148 HydrophobicContact CG-CB 3.92Å; M133-A148 WeakPolarHBondContact CG-O 3.33Å; P134-A148 HydrophobicContact CB-CB 4.22Å; P134-A148 HydrophobicContact CG-CB 3.69Å; M137-A148 WeakPolarHBondContact SD-CA 3.41Å; M137-A148 HydrophobicContact SD-CB 3.62Å; A148-F152 VanDerWaalsContact O-CB 3.24Å; A148-F152 WeakPolarHBondContact O-CB 3.25Å; A148-F152 PolarHBondContact O-N 3.01Å
149	D	90.4	Very high	88.3	Confident	97 Å²	97	61.9 Å²	61.9	52%	0.519	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-44.9	173.6	58.7	-30.5	0	0	0	111.7	Y147 F152 N153	Y147-D149 WeakPolarHBondContact CB-OD1 3.12Å; Y147-D149 PolarHBondContact O-N 2.99Å; D149-F152 PolarHBondContact O-N 3.25Å; D149-N153 WeakPolarHBondContact O-CB 3.42Å; D149-N153 PolarHBondContact O-N 2.64Å; D149-N153 PolarHBondContact O-ND2 3.22Å
150	Y	87.6	Confident	88.5	Confident	87 Å²	87	60.7 Å²	60.7	34%	0.341	32%	0.32	S	S	.	.	H	α-helix	trans	-57.9	-52.1	174.2	177.5	-94	0	0	0	111.1	L146 Y147 F152 N153 A154	L146-Y150 HydrophobicContact CD2-CD1 4.16Å; L146-Y150 HydrophobicContact CD2-CE1 4.03Å; Y147-Y150 PolarHBondContact O-N 3.01Å; Y150-F152 PolarHBondContact O-N 2.56Å; Y150-N153 PolarHBondContact O-N 3.4Å; Y150-A154 WeakPolarHBondContact O-CB 3.16Å; Y150-A154 PolarHBondContact O-N 3.17Å
151	L	88.6	Confident	88.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-40.5	-180	-174.5	63.4	0	0	0	112.1	M133 M137 Y147 A154 I155 I179 R182	M133-L151 HydrophobicContact SD-CD2 4.2Å; M137-L151 HydrophobicContact CE-CD2 4.18Å; M137-L151 HydrophobicContact CG-CD2 4.18Å; M137-L151 HydrophobicContact SD-CD2 4.44Å; Y147-L151 WeakPolarHBondContact O-CB 3.46Å; Y147-L151 PolarHBondContact O-N 2.79Å; L151-A154 PolarHBondContact O-N 3.48Å; L151-I155 HydrophobicContact CD1-CD1 3.95Å; L151-I155 HydrophobicContact CG-CD1 3.98Å; L151-I155 WeakPolarHBondContact O-CG1 3.44Å; L151-I155 PolarHBondContact O-N 3.41Å; L151-I179 HydrophobicContact CD2-CG2 3.98Å; L151-R182 HydrophobicContact CD1-CB 3.96Å; L151-R182 HydrophobicContact CD1-CG 4.2Å; L151-R182 HydrophobicContact CD2-CB 4.27Å; L151-R182 HydrophobicContact CD2-CG 4.48Å
152	F	91.7	Very high	89.1	Confident	14 Å²	14	59.1 Å²	59.1	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-45.8	174.8	-180	-91.4	0	0	0	111.4	L126 V129 K130 M133 A148 D149 Y150 A154 I155 A156	L126-F152 HydrophobicContact CB-CZ 4.39Å; V129-F152 HydrophobicContact CB-CE2 4.41Å; V129-F152 HydrophobicContact CG1-CD2 4.13Å; V129-F152 HydrophobicContact CG1-CE2 4.02Å; K130-F152 HydrophobicContact CB-CD1 4.47Å; K130-F152 HydrophobicContact CB-CD2 3.87Å; K130-F152 HydrophobicContact CB-CE1 4.34Å; K130-F152 HydrophobicContact CB-CE2 3.72Å; K130-F152 HydrophobicContact CB-CG 4.25Å; K130-F152 HydrophobicContact CB-CZ 3.96Å; K130-F152 HydrophobicContact CD-CD1 4.13Å; K130-F152 HydrophobicContact CD-CE1 4Å; K130-F152 HydrophobicContact CD-CZ 4.36Å; K130-F152 HydrophobicContact CG-CD1 4.13Å; K130-F152 HydrophobicContact CG-CD2 4.25Å; K130-F152 HydrophobicContact CG-CE1 4.29Å; K130-F152 HydrophobicContact CG-CE2 4.4Å; K130-F152 HydrophobicContact CG-CG 4.11Å; K130-F152 HydrophobicContact CG-CZ 4.42Å; M133-F152 HydrophobicContact CE-CB 3.8Å; M133-F152 HydrophobicContact CE-CD2 3.65Å; M133-F152 HydrophobicContact CE-CG 4.22Å; A148-F152 VanDerWaalsContact O-CB 3.24Å; A148-F152 WeakPolarHBondContact O-CB 3.25Å; A148-F152 PolarHBondContact O-N 3.01Å; D149-F152 PolarHBondContact O-N 3.25Å; Y150-F152 PolarHBondContact O-N 2.56Å; F152-A154 VanDerWaalsContact C-N 3.33Å; F152-A154 PolarHBondContact O-N 2.86Å; F152-I155 PolarHBondContact O-N 3.25Å; F152-A156 HydrophobicContact CD2-CB 4.44Å; F152-A156 HydrophobicContact CE1-CB 4.27Å; F152-A156 HydrophobicContact CE2-CB 4.03Å; F152-A156 HydrophobicContact CZ-CB 3.94Å; F152-A156 WeakPolarHBondContact O-CA 3.44Å; F152-A156 PolarHBondContact O-N 2.95Å
153	N	90.2	Very high	89.4	Confident	92 Å²	92	56.8 Å²	56.8	49%	0.492	30%	0.296	S	S	.	.	H	α-helix	trans	-68.2	-33.4	179.5	-70	-21.8	0	0	0	112.1	D149 Y150 I155 G157	D149-N153 WeakPolarHBondContact O-CB 3.42Å; D149-N153 PolarHBondContact O-N 2.64Å; D149-N153 PolarHBondContact O-ND2 3.22Å; Y150-N153 PolarHBondContact O-N 3.4Å; N153-I155 VanDerWaalsContact C-N 3.26Å; N153-I155 PolarHBondContact O-N 3.33Å; N153-G157 WeakPolarHBondContact O-CA 3.46Å; N153-G157 PolarHBondContact O-N 2.72Å
154	A	85.7	Confident	89.9	Confident	7 Å²	7	53.9 Å²	53.9	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-28.8	175.1	0	0	0	0	0	112.8	Y150 L151 F152 E449	Y150-A154 WeakPolarHBondContact O-CB 3.16Å; Y150-A154 PolarHBondContact O-N 3.17Å; L151-A154 PolarHBondContact O-N 3.48Å; F152-A154 VanDerWaalsContact C-N 3.33Å; F152-A154 PolarHBondContact O-N 2.86Å; A154-E449 WeakPolarHBondContact O-CB 3.23Å
155	I	86.8	Confident	90.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-97.7	-45.5	-177.6	-64	167.6	0	0	0	112.5	L151 F152 N153 M170 L174 I179 R182 V446	L151-I155 HydrophobicContact CD1-CD1 3.95Å; L151-I155 HydrophobicContact CG-CD1 3.98Å; L151-I155 WeakPolarHBondContact O-CG1 3.44Å; L151-I155 PolarHBondContact O-N 3.41Å; F152-I155 PolarHBondContact O-N 3.25Å; N153-I155 VanDerWaalsContact C-N 3.26Å; N153-I155 PolarHBondContact O-N 3.33Å; I155-M170 HydrophobicContact CG2-CG 4.3Å; I155-L174 HydrophobicContact CB-CD2 4.3Å; I155-L174 HydrophobicContact CD1-CD2 4.42Å; I155-L174 HydrophobicContact CG2-CD2 3.48Å; I155-L174 VanDerWaalsContact CG2-CD2 3.48Å; I155-L174 HydrophobicContact CG2-CG 4.12Å; I155-I179 HydrophobicContact CD1-CD1 3.72Å; I155-R182 HydrophobicContact CD1-CG 4.28Å; I155-V446 HydrophobicContact CG2-CG1 3.49Å; I155-V446 VanDerWaalsContact CG2-CG1 3.49Å
156	A	91.9	Very high	90.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-122.9	10.7	-169.3	0	0	0	0	0	112.6	F152 W159 M170 L174	F152-A156 HydrophobicContact CD2-CB 4.44Å; F152-A156 HydrophobicContact CE1-CB 4.27Å; F152-A156 HydrophobicContact CE2-CB 4.03Å; F152-A156 HydrophobicContact CZ-CB 3.94Å; F152-A156 WeakPolarHBondContact O-CA 3.44Å; F152-A156 PolarHBondContact O-N 2.95Å; A156-W159 WeakPolarHBondContact O-CB 3.33Å; A156-W159 VanDerWaalsContact O-CD1 3.24Å; A156-W159 PolarHBondContact O-N 3.33Å; A156-M170 HydrophobicContact CB-CE 4.35Å; A156-M170 HydrophobicContact CB-SD 3.72Å; A156-L174 HydrophobicContact CB-CD1 4.2Å
157	G	88.8	Confident	91.4	Very high	19 Å²	19	44.3 Å²	44.3	20%	0.196	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	143.9	169.8	0	0	0	0	0	110.5	N153 W159	N153-G157 WeakPolarHBondContact O-CA 3.46Å; N153-G157 PolarHBondContact O-N 2.72Å; G157-W159 PolarHBondContact O-N 3.34Å
158	N	90.9	Very high	91.5	Very high	134 Å²	134	36.9 Å²	36.9	72%	0.717	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	26.6	179.1	-58.6	-29	0	0	0	114.3	E160 R161	N158-E160 PolarHBondContact O-N 3.32Å; N158-R161 PolarHBondContact O-N 2.69Å
159	W	94.6	Very high	91.4	Very high	28 Å²	28	36 Å²	36	11%	0.106	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-54.2	-30.7	-179.2	66.7	-88.8	0	0	0	112.2	L110 Y119 L122 K123 L126 A156 G157 R161 K162 M170	L110-W159 HydrophobicContact CD1-CE3 3.52Å; L110-W159 HydrophobicContact CD1-CZ3 3.71Å; L110-W159 WeakPolarHBondContact CD1-O 3.28Å; Y119-W159 HydrophobicContact CD2-CH2 4.28Å; Y119-W159 HydrophobicContact CD2-CZ3 4.31Å; Y119-W159 AromaticContact CE2-CH2 3.63Å; Y119-W159 HydrophobicContact CE2-CH2 3.63Å; Y119-W159 AromaticContact CE2-CZ3 3.91Å; Y119-W159 HydrophobicContact CE2-CZ3 3.91Å; Y119-W159 AromaticContact CZ-CH2 3.99Å; L122-W159 HydrophobicContact CD2-CE3 3.8Å; L122-W159 HydrophobicContact CD2-CH2 4.38Å; L122-W159 HydrophobicContact CD2-CZ3 3.42Å; L122-W159 VanDerWaalsContact CD2-CZ3 3.42Å; L122-W159 HydrophobicContact CG-CE3 4.23Å; L122-W159 HydrophobicContact CG-CH2 4.43Å; L122-W159 HydrophobicContact CG-CZ3 3.83Å; K123-W159 HydrophobicContact CB-CH2 4.11Å; K123-W159 HydrophobicContact CB-CZ2 4.3Å; K123-W159 HydrophobicContact CG-CH2 4.5Å; K123-W159 HydrophobicContact CG-CZ2 4.25Å; L126-W159 HydrophobicContact CD1-CB 4.23Å; L126-W159 HydrophobicContact CD1-CD2 3.26Å; L126-W159 VanDerWaalsContact CD1-CE2 3.47Å; L126-W159 HydrophobicContact CD1-CE3 3.68Å; L126-W159 HydrophobicContact CD1-CG 3.5Å; L126-W159 HydrophobicContact CD1-CH2 4.43Å; L126-W159 HydrophobicContact CD1-CZ2 4.07Å; L126-W159 HydrophobicContact CD1-CZ3 4.26Å; A156-W159 WeakPolarHBondContact O-CB 3.33Å; A156-W159 VanDerWaalsContact O-CD1 3.24Å; A156-W159 PolarHBondContact O-N 3.33Å; G157-W159 PolarHBondContact O-N 3.34Å; W159-R161 PolarHBondContact O-N 3.03Å; W159-R161 VanDerWaalsContact O-N 3.17Å; W159-K162 WeakPolarHBondContact O-CB 3.37Å; W159-K162 PolarHBondContact O-N 3.4Å; W159-M170 HydrophobicContact CB-CE 3.95Å; W159-M170 HydrophobicContact CB-SD 4.19Å
160	E	95.8	Very high	91.5	Very high	77 Å²	77	31.6 Å²	31.6	36%	0.36	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-61.8	-19.7	176.9	-62.4	-173.2	134.6	0	0	114.2	N109 L110 Y119 N158	N109-E160 CarbonylContact C-O 3.54Å; N109-E160 WeakPolarHBondContact CA-O 3.44Å; L110-E160 PolarHBondContact N-O 3.1Å; Y119-E160 PolarHBondContact OH-OE1 3.5Å; N158-E160 PolarHBondContact O-N 3.32Å
161	R	94.8	Very high	91.7	Very high	90 Å²	90	27.5 Å²	27.5	34%	0.34	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-98	-7.9	175.8	-65.4	-58.9	-53.1	-67.1	-7.1	113.2	L103 L104 E108 N158 W159	L103-R161 WeakPolarHBondContact CA-O 3.45Å; L103-R161 HydrophobicContact CD2-CB 4.16Å; L104-R161 PolarHBondContact N-O 2.85Å; E108-R161 PolarHBondContact O-NE 2.94Å; N158-R161 PolarHBondContact O-N 2.69Å; W159-R161 PolarHBondContact O-N 3.03Å; W159-R161 VanDerWaalsContact O-N 3.17Å
162	K	93.7	Very high	91.7	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.026	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-77.8	147.5	178.2	-65.7	-177.5	-175.7	-81.2	0	110.2	Q102 L103 L110 W159 V167 M170 E449	Q102-K162 CarbonylContact O-C 3.57Å; Q102-K162 WeakPolarHBondContact O-CA 3.22Å; L103-K162 HydrophobicContact CD2-CG 4.41Å; L110-K162 WeakPolarHBondContact CD2-O 3.48Å; L110-K162 WeakPolarHBondContact CG-O 3.39Å; W159-K162 WeakPolarHBondContact O-CB 3.37Å; W159-K162 PolarHBondContact O-N 3.4Å; K162-V167 HydrophobicContact CB-CG2 3.84Å; K162-M170 HydrophobicContact CD-SD 4.4Å; K162-E449 IonicContact NZ-OE1 2.67Å; K162-E449 PolarHBondContact NZ-OE1 2.84Å; K162-E449 IonicContact NZ-OE2 3.65Å; K162-E449 PolarHBondContact NZ-OE2 3.46Å
163	R	94.3	Very high	91.3	Very high	79 Å²	79	26.9 Å²	26.9	30%	0.298	13%	0.132	S	C	.	.			trans	-63.2	145.7	171.9	-78.5	169.4	-175.3	-94.6	-3.1	110.4	Q102 L103 L104 V165 W166 V167 N216	Q102-R163 PolarHBondContact O-N 2.83Å; L103-R163 PolarHBondContact O-NE 3.15Å; L104-R163 HydrophobicContact CD2-CG 3.88Å; L104-R163 HydrophobicContact CG-CG 4.13Å; R163-V165 VanDerWaalsContact C-N 3.29Å; R163-V165 PolarHBondContact O-N 3.34Å; R163-V165 VanDerWaalsContact O-N 3.14Å; R163-W166 PolarHBondContact O-N 3.42Å; R163-V167 WeakPolarHBondContact O-CG2 3.42Å; R163-V167 PolarHBondContact O-N 2.51Å; R163-V167 VanDerWaalsContact O-N 3.13Å; R163-N216 VanDerWaalsContact CD-OD1 3.23Å; R163-N216 WeakPolarHBondContact CD-OD1 3.42Å
164	P	94.3	Very high	91.3	Very high	12 Å²	12	22.6 Å²	22.6	8%	0.078	11%	0.109	C	C	.	.	H	α-helix	trans	-54.7	-35.4	-176.1	-31.1	36.9	0	0	0	115.9	L110 V113 L114 W166 V167 M168 V223	L110-P164 HydrophobicContact CD2-CB 4.43Å; L110-P164 HydrophobicContact CD2-CG 3.71Å; V113-P164 HydrophobicContact CG2-CG 3.92Å; L114-P164 HydrophobicContact CD2-CB 3.95Å; L114-P164 HydrophobicContact CD2-CG 3.79Å; L114-P164 HydrophobicContact CG-CG 4.48Å; P164-W166 PolarHBondContact O-N 2.83Å; P164-V167 WeakPolarHBondContact O-CB 3.47Å; P164-V167 PolarHBondContact O-N 3.14Å; P164-M168 PolarHBondContact O-N 3.16Å; P164-V223 HydrophobicContact CB-CG1 3.52Å
165	V	92.4	Very high	91.3	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.024	11%	0.108	C	C	.	.	H	α-helix	trans	-64.5	-38.7	176.9	67.5	0	0	0	0	112.1	R163 M168 L169 L215 L218 V223	R163-V165 VanDerWaalsContact C-N 3.29Å; R163-V165 PolarHBondContact O-N 3.34Å; R163-V165 VanDerWaalsContact O-N 3.14Å; V165-M168 HydrophobicContact CG2-CE 4.09Å; V165-M168 WeakPolarHBondContact O-CB 3.26Å; V165-M168 PolarHBondContact O-N 2.92Å; V165-L169 WeakPolarHBondContact O-CG 3.4Å; V165-L169 PolarHBondContact O-N 3Å; V165-L169 VanDerWaalsContact O-N 3.1Å; V165-L215 HydrophobicContact CG1-CB 4.38Å; V165-L215 HydrophobicContact CG2-CB 4.39Å; V165-L215 HydrophobicContact CG2-CD2 4.49Å; V165-L218 HydrophobicContact CG2-CD1 4.36Å; V165-V223 HydrophobicContact CB-CG1 4.09Å; V165-V223 HydrophobicContact CB-CG2 4.45Å
166	W	92.3	Very high	91.3	Very high	6 Å²	6	24.9 Å²	24.9	2%	0.023	12%	0.119	C	C	.	.	H	α-helix	trans	-73.4	-33.6	178.5	-68	92.7	0	0	0	111.9	Q102 R163 P164 M168 L169 M170 C212 L215 N216 W445	Q102-W166 HydrophobicContact CB-CB 4.26Å; Q102-W166 HydrophobicContact CB-CD2 3.98Å; Q102-W166 HydrophobicContact CB-CE3 4.49Å; Q102-W166 HydrophobicContact CB-CG 3.87Å; Q102-W166 HydrophobicContact CG-CD2 3.58Å; Q102-W166 HydrophobicContact CG-CE3 3.68Å; Q102-W166 HydrophobicContact CG-CG 4.02Å; Q102-W166 HydrophobicContact CG-CH2 4.28Å; Q102-W166 HydrophobicContact CG-CZ2 4.23Å; Q102-W166 HydrophobicContact CG-CZ3 4.05Å; R163-W166 PolarHBondContact O-N 3.42Å; P164-W166 PolarHBondContact O-N 2.83Å; W166-M168 VanDerWaalsContact C-N 3.32Å; W166-L169 HydrophobicContact CE3-CD1 4.03Å; W166-L169 HydrophobicContact CZ3-CD1 4.26Å; W166-L169 PolarHBondContact O-N 3.29Å; W166-M170 VanDerWaalsContact O-CB 3.29Å; W166-M170 WeakPolarHBondContact O-CB 3.38Å; W166-M170 PolarHBondContact O-N 3.26Å; W166-C212 HydrophobicContact CZ2-CB 4.47Å; W166-L215 HydrophobicContact CD2-CD1 4.48Å; W166-L215 HydrophobicContact CE3-CD1 4.29Å; W166-L215 HydrophobicContact CH2-CD1 3.29Å; W166-L215 HydrophobicContact CZ2-CB 4.22Å; W166-L215 HydrophobicContact CZ2-CD1 3.49Å; W166-L215 VanDerWaalsContact CZ2-CD1 3.49Å; W166-L215 HydrophobicContact CZ2-CG 4.49Å; W166-L215 HydrophobicContact CZ3-CD1 3.7Å; W166-N216 PolarHBondContact NE1-OD1 3.5Å; W166-W445 HydrophobicContact CZ3-CB 4.06Å; W166-W445 HydrophobicContact CZ3-CG 4.25Å
167	V	94.1	Very high	90.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-41.3	171.5	176.2	0	0	0	0	110.9	L110 L122 K162 R163 P164 M170 V171 L227	L110-V167 HydrophobicContact CD1-CG1 4.47Å; L110-V167 HydrophobicContact CD1-CG2 3.54Å; L110-V167 HydrophobicContact CD2-CG2 4.27Å; L110-V167 HydrophobicContact CG-CG2 4.46Å; L122-V167 HydrophobicContact CD1-CG1 3.72Å; L122-V167 HydrophobicContact CD2-CG1 3.48Å; L122-V167 VanDerWaalsContact CD2-CG1 3.48Å; L122-V167 HydrophobicContact CG-CG1 4.23Å; K162-V167 HydrophobicContact CB-CG2 3.84Å; R163-V167 WeakPolarHBondContact O-CG2 3.42Å; R163-V167 PolarHBondContact O-N 2.51Å; R163-V167 VanDerWaalsContact O-N 3.13Å; P164-V167 WeakPolarHBondContact O-CB 3.47Å; P164-V167 PolarHBondContact O-N 3.14Å; V167-M170 HydrophobicContact CG1-CE 4.17Å; V167-M170 PolarHBondContact O-N 3.45Å; V167-V171 HydrophobicContact CG1-CG2 4.33Å; V167-V171 WeakPolarHBondContact O-CB 3.23Å; V167-V171 VanDerWaalsContact O-CG2 3.24Å; V167-V171 WeakPolarHBondContact O-CG2 3.41Å; V167-V171 PolarHBondContact O-N 3.42Å; V167-L227 HydrophobicContact CG1-CD1 4.26Å
168	M	91.3	Very high	90.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-48	174.2	173.7	-152.2	73.5	0	0	111	P164 V165 W166 V171 N172 A226 L227 T230 P273 F275	P164-M168 PolarHBondContact O-N 3.16Å; V165-M168 HydrophobicContact CG2-CE 4.09Å; V165-M168 WeakPolarHBondContact O-CB 3.26Å; V165-M168 PolarHBondContact O-N 2.92Å; W166-M168 VanDerWaalsContact C-N 3.32Å; M168-V171 PolarHBondContact O-N 3.42Å; M168-N172 PolarHBondContact O-N 3.26Å; M168-A226 HydrophobicContact SD-CB 3.43Å; M168-A226 WeakPolarHBondContact SD-CB 3.24Å; M168-L227 HydrophobicContact CB-CB 4.38Å; M168-L227 HydrophobicContact CB-CD1 3.99Å; M168-T230 HydrophobicContact CG-CG2 4.29Å; M168-T230 VanDerWaalsContact CG-OG1 3.25Å; M168-T230 WeakPolarHBondContact CG-OG1 3.34Å; M168-P273 HydrophobicContact CE-CG 4.46Å; M168-F275 HydrophobicContact SD-CZ 3.87Å
169	L	90.1	Very high	90.6	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-60.8	-46.1	176.7	-63.8	-179	0	0	0	112	V165 W166 N172 S173 L215 Q271 V272 N442	V165-L169 WeakPolarHBondContact O-CG 3.4Å; V165-L169 PolarHBondContact O-N 3Å; V165-L169 VanDerWaalsContact O-N 3.1Å; W166-L169 HydrophobicContact CE3-CD1 4.03Å; W166-L169 HydrophobicContact CZ3-CD1 4.26Å; W166-L169 PolarHBondContact O-N 3.29Å; L169-N172 WeakPolarHBondContact O-CB 3.16Å; L169-N172 PolarHBondContact O-N 2.8Å; L169-S173 PolarHBondContact O-N 3.34Å; L169-L215 HydrophobicContact CD1-CD1 3.81Å; L169-L215 HydrophobicContact CD1-CD2 4.01Å; L169-Q271 VanDerWaalsContact CD2-O 3.24Å; L169-Q271 WeakPolarHBondContact CD2-O 3.36Å; L169-V272 HydrophobicContact CD2-CG1 4.34Å; L169-N442 VanDerWaalsContact CD2-ND2 3.3Å; L169-N442 WeakPolarHBondContact CD2-ND2 3.49Å
170	M	92	Very high	90.3	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.02	10%	0.101	C	C	.	.	H	α-helix	trans	-57.4	-51.3	176.6	179.4	-164.4	71	0	0	111.1	L126 I155 A156 W159 K162 W166 V167 N172 S173 L174	L126-M170 HydrophobicContact CD1-CE 4.21Å; L126-M170 HydrophobicContact CD2-CE 3.86Å; I155-M170 HydrophobicContact CG2-CG 4.3Å; A156-M170 HydrophobicContact CB-CE 4.35Å; A156-M170 HydrophobicContact CB-SD 3.72Å; W159-M170 HydrophobicContact CB-CE 3.95Å; W159-M170 HydrophobicContact CB-SD 4.19Å; K162-M170 HydrophobicContact CD-SD 4.4Å; W166-M170 VanDerWaalsContact O-CB 3.29Å; W166-M170 WeakPolarHBondContact O-CB 3.38Å; W166-M170 PolarHBondContact O-N 3.26Å; V167-M170 HydrophobicContact CG1-CE 4.17Å; V167-M170 PolarHBondContact O-N 3.45Å; M170-N172 VanDerWaalsContact C-N 3.27Å; M170-N172 PolarHBondContact O-N 3.41Å; M170-S173 CarbonylContact O-C 3.48Å; M170-S173 PolarHBondContact O-N 2.79Å; M170-S173 PolarHBondContact O-OG 3.13Å; M170-L174 HydrophobicContact CE-CD1 4.37Å; M170-L174 HydrophobicContact CG-CD1 3.99Å; M170-L174 HydrophobicContact CG-CG 4.49Å; M170-L174 WeakPolarHBondContact O-CG 3.15Å; M170-L174 PolarHBondContact O-N 3.27Å
171	V	92.4	Very high	89.8	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-37.7	178.6	168.9	0	0	0	0	111.6	L122 L126 V167 M168 S173 L174 T230 L231 Q234	L122-V171 HydrophobicContact CD1-CG2 3.57Å; L126-V171 HydrophobicContact CD2-CG2 4.31Å; V167-V171 HydrophobicContact CG1-CG2 4.33Å; V167-V171 WeakPolarHBondContact O-CB 3.23Å; V167-V171 VanDerWaalsContact O-CG2 3.24Å; V167-V171 WeakPolarHBondContact O-CG2 3.41Å; V167-V171 PolarHBondContact O-N 3.42Å; M168-V171 PolarHBondContact O-N 3.42Å; V171-S173 PolarHBondContact O-N 3.4Å; V171-L174 PolarHBondContact O-N 3.2Å; V171-T230 HydrophobicContact CB-CG2 4.29Å; V171-T230 HydrophobicContact CG1-CG2 3.89Å; V171-L231 HydrophobicContact CG1-CD2 4.27Å; V171-Q234 HydrophobicContact CG1-CG 3.86Å
172	N	86.9	Confident	89.4	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.011	8%	0.077	C	C	.	.	H	α-helix	trans	-63.6	-29.7	176.8	-165	49.5	0	0	0	112.8	M168 L169 M170 T230 P273 F441 N442	M168-N172 PolarHBondContact O-N 3.26Å; L169-N172 WeakPolarHBondContact O-CB 3.16Å; L169-N172 PolarHBondContact O-N 2.8Å; M170-N172 VanDerWaalsContact C-N 3.27Å; M170-N172 PolarHBondContact O-N 3.41Å; N172-T230 HydrophobicContact CB-CG2 4.25Å; N172-P273 HydrophobicContact CB-CG 4.24Å; N172-F441 PolarHBondContact ND2-O 2.69Å; N172-N442 PolarHBondContact ND2-ND2 3.39Å
173	S	85	Confident	88.8	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.9	180	77.1	0	0	0	0	115.2	L169 M170 V171 T175 D178 N442 V446	L169-S173 PolarHBondContact O-N 3.34Å; M170-S173 CarbonylContact O-C 3.48Å; M170-S173 PolarHBondContact O-N 2.79Å; M170-S173 PolarHBondContact O-OG 3.13Å; V171-S173 PolarHBondContact O-N 3.4Å; S173-T175 PolarHBondContact O-N 3.18Å; S173-D178 WeakPolarHBondContact O-CB 3.33Å; S173-N442 WeakPolarHBondContact CB-O 3.44Å; S173-V446 WeakPolarHBondContact OG-CG1 3.21Å; S173-V446 WeakPolarHBondContact OG-CG2 3.49Å
174	L	88.4	Confident	88.4	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.088	C	C	.	.			trans	-99.9	49.3	-176.3	-80.7	175	0	0	0	112	L126 V129 M133 W136 I155 A156 M170 V171 I179	L126-L174 HydrophobicContact CD2-CD1 3.72Å; V129-L174 HydrophobicContact CG1-CB 4.21Å; V129-L174 HydrophobicContact CG1-CD1 4.35Å; V129-L174 HydrophobicContact CG1-CD2 4.04Å; V129-L174 HydrophobicContact CG1-CG 4.44Å; V129-L174 HydrophobicContact CG2-CB 4.32Å; M133-L174 HydrophobicContact CE-CD2 4.49Å; W136-L174 WeakPolarHBondContact CZ3-O 3.1Å; I155-L174 HydrophobicContact CB-CD2 4.3Å; I155-L174 HydrophobicContact CD1-CD2 4.42Å; I155-L174 HydrophobicContact CG2-CD2 3.48Å; I155-L174 VanDerWaalsContact CG2-CD2 3.48Å; I155-L174 HydrophobicContact CG2-CG 4.12Å; A156-L174 HydrophobicContact CB-CD1 4.2Å; M170-L174 HydrophobicContact CE-CD1 4.37Å; M170-L174 HydrophobicContact CG-CD1 3.99Å; M170-L174 HydrophobicContact CG-CG 4.49Å; M170-L174 WeakPolarHBondContact O-CG 3.15Å; M170-L174 PolarHBondContact O-N 3.27Å; V171-L174 PolarHBondContact O-N 3.2Å; L174-I179 HydrophobicContact CD2-CD1 4.29Å
175	T	86.5	Confident	88.1	Confident	5 Å²	5	16 Å²	16	3%	0.031	10%	0.097	C	C	.	.	S	Bend	trans	-108.9	157.3	176.3	88.6	0	0	0	0	112.1	S173 A177 D178 I179 R439	S173-T175 PolarHBondContact O-N 3.18Å; T175-A177 PolarHBondContact O-N 3.47Å; T175-A177 VanDerWaalsContact O-N 3.09Å; T175-A177 PolarHBondContact OG1-N 2.95Å; T175-D178 WeakPolarHBondContact CB-OD2 3.5Å; T175-D178 WeakPolarHBondContact CG2-OD2 3.23Å; T175-D178 PolarHBondContact N-OD2 3.1Å; T175-D178 VanDerWaalsContact N-OD2 3.13Å; T175-D178 PolarHBondContact O-N 3.14Å; T175-D178 VanDerWaalsContact O-N 3.11Å; T175-D178 PolarHBondContact OG1-OD2 3.35Å; T175-I179 WeakPolarHBondContact O-CG1 3.27Å; T175-I179 PolarHBondContact O-N 3.47Å; T175-R439 VanDerWaalsContact OG1-CD 3.29Å; T175-R439 WeakPolarHBondContact OG1-CD 3.41Å
176	E	88	Confident	88	Confident	52 Å²	52	16 Å²	16	24%	0.243	10%	0.097	C	C	.	.	H	α-helix	trans	-48.7	-35.4	173.8	-174.5	-178.2	167.8	0	0	114.4	W136 K180 R439	W136-E176 HydrophobicContact CB-CB 4.22Å; W136-E176 HydrophobicContact CB-CG 3.93Å; W136-E176 HydrophobicContact CD2-CB 3.82Å; W136-E176 HydrophobicContact CD2-CG 4.36Å; W136-E176 HydrophobicContact CG-CB 3.63Å; W136-E176 HydrophobicContact CG-CG 3.64Å; E176-K180 HydrophobicContact CG-CD 4.31Å; E176-K180 VanDerWaalsContact O-CG 3.25Å; E176-K180 WeakPolarHBondContact O-CG 3.33Å; E176-K180 PolarHBondContact O-N 3.04Å; E176-K180 VanDerWaalsContact O-N 3.09Å; E176-K180 WeakPolarHBondContact OE1-CE 3.42Å; E176-K180 IonicContact OE1-NZ 3.66Å; E176-K180 PolarHBondContact OE1-NZ 2.64Å; E176-R439 VanDerWaalsContact CB-CZ 3.48Å; E176-R439 IonicContact OE2-CZ 2.7Å; E176-R439 IonicContact OE2-NH2 3.7Å; E176-R439 PolarHBondContact OE2-NH2 2.85Å
177	A	82.8	Confident	88	Confident	36 Å²	36	15.7 Å²	15.7	30%	0.298	10%	0.096	S	C	.	.	H	α-helix	trans	-68.7	-48	-179.7	0	0	0	0	0	110.4	T175 I179 K180 T181 R439	T175-A177 PolarHBondContact O-N 3.47Å; T175-A177 VanDerWaalsContact O-N 3.09Å; T175-A177 PolarHBondContact OG1-N 2.95Å; A177-I179 VanDerWaalsContact C-N 3.32Å; A177-I179 PolarHBondContact O-N 2.82Å; A177-K180 PolarHBondContact O-N 2.93Å; A177-T181 PolarHBondContact O-N 3.34Å; A177-T181 PolarHBondContact O-OG1 3.01Å; A177-R439 HydrophobicContact CB-CB 3.79Å; A177-R439 HydrophobicContact CB-CG 3.92Å
178	D	83.9	Confident	88	Confident	4 Å²	4	16.2 Å²	16.2	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-62.6	-42.1	179	-45.2	-43.8	0	0	0	110.6	S173 T175 K180 T181 R182	S173-D178 WeakPolarHBondContact O-CB 3.33Å; T175-D178 WeakPolarHBondContact CB-OD2 3.5Å; T175-D178 WeakPolarHBondContact CG2-OD2 3.23Å; T175-D178 PolarHBondContact N-OD2 3.1Å; T175-D178 VanDerWaalsContact N-OD2 3.13Å; T175-D178 PolarHBondContact O-N 3.14Å; T175-D178 VanDerWaalsContact O-N 3.11Å; T175-D178 PolarHBondContact OG1-OD2 3.35Å; D178-K180 VanDerWaalsContact C-N 3.34Å; D178-K180 PolarHBondContact O-N 3.22Å; D178-T181 PolarHBondContact O-N 3.34Å; D178-T181 PolarHBondContact O-OG1 2.82Å; D178-R182 WeakPolarHBondContact O-CG 3.45Å; D178-R182 PolarHBondContact O-N 3.21Å
179	I	88.9	Confident	87.9	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-38.6	177.5	-64.8	-50.5	0	0	0	111.6	M133 W136 M137 Q141 L151 I155 L174 T175 A177 T181 R182	M133-I179 HydrophobicContact CE-CD1 4.03Å; M133-I179 HydrophobicContact CE-CG1 4.47Å; M133-I179 HydrophobicContact SD-CB 4.35Å; M133-I179 HydrophobicContact SD-CD1 3.64Å; M133-I179 HydrophobicContact SD-CG1 3.72Å; M133-I179 HydrophobicContact SD-CG2 3.66Å; W136-I179 HydrophobicContact CB-CB 4.17Å; W136-I179 HydrophobicContact CB-CG2 3.86Å; W136-I179 HydrophobicContact CE3-CG1 3.99Å; M137-I179 HydrophobicContact CG-CG2 4.12Å; Q141-I179 PolarHBondContact NE2-O 2.9Å; L151-I179 HydrophobicContact CD2-CG2 3.98Å; I155-I179 HydrophobicContact CD1-CD1 3.72Å; L174-I179 HydrophobicContact CD2-CD1 4.29Å; T175-I179 WeakPolarHBondContact O-CG1 3.27Å; T175-I179 PolarHBondContact O-N 3.47Å; A177-I179 VanDerWaalsContact C-N 3.32Å; A177-I179 PolarHBondContact O-N 2.82Å; I179-T181 PolarHBondContact O-N 2.9Å; I179-R182 HydrophobicContact CD1-CG 4.39Å; I179-R182 PolarHBondContact O-N 3.17Å
180	K	89.2	Confident	88.2	Confident	75 Å²	75	18.9 Å²	18.9	33%	0.326	11%	0.11	S	C	.	.	H	α-helix	trans	-64.1	-24.2	179.3	-80.1	174	-177	168.7	0	113.7	W136 T138 E176 A177 D178	W136-K180 WeakPolarHBondContact O-CG 3.43Å; T138-K180 HydrophobicContact CG2-CB 4.03Å; T138-K180 HydrophobicContact CG2-CG 3.89Å; E176-K180 HydrophobicContact CG-CD 4.31Å; E176-K180 VanDerWaalsContact O-CG 3.25Å; E176-K180 WeakPolarHBondContact O-CG 3.33Å; E176-K180 PolarHBondContact O-N 3.04Å; E176-K180 VanDerWaalsContact O-N 3.09Å; E176-K180 WeakPolarHBondContact OE1-CE 3.42Å; E176-K180 IonicContact OE1-NZ 3.66Å; E176-K180 PolarHBondContact OE1-NZ 2.64Å; A177-K180 PolarHBondContact O-N 2.93Å; D178-K180 VanDerWaalsContact C-N 3.34Å; D178-K180 PolarHBondContact O-N 3.22Å
181	T	84.6	Confident	88.4	Confident	31 Å²	31	18.9 Å²	18.9	19%	0.19	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	0.7	-177.9	54.7	0	0	0	0	113.6	P61 A177 D178 I179 V184 R447	P61-T181 HydrophobicContact CG-CG2 3.94Å; A177-T181 PolarHBondContact O-N 3.34Å; A177-T181 PolarHBondContact O-OG1 3.01Å; D178-T181 PolarHBondContact O-N 3.34Å; D178-T181 PolarHBondContact O-OG1 2.82Å; I179-T181 PolarHBondContact O-N 2.9Å; T181-V184 PolarHBondContact O-N 2.95Å; T181-R447 PolarHBondContact O-NH1 3.33Å; T181-R447 PolarHBondContact OG1-NH2 2.96Å
182	R	85.7	Confident	88.5	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.008	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	150.9	173	-66.3	-61	-179.6	139	-4.1	112.3	Q141 L151 I155 D178 I179 V184 V446 R447	Q141-R182 PolarHBondContact NE2-O 3.01Å; L151-R182 HydrophobicContact CD1-CB 3.96Å; L151-R182 HydrophobicContact CD1-CG 4.2Å; L151-R182 HydrophobicContact CD2-CB 4.27Å; L151-R182 HydrophobicContact CD2-CG 4.48Å; I155-R182 HydrophobicContact CD1-CG 4.28Å; D178-R182 WeakPolarHBondContact O-CG 3.45Å; D178-R182 PolarHBondContact O-N 3.21Å; I179-R182 HydrophobicContact CD1-CG 4.39Å; I179-R182 PolarHBondContact O-N 3.17Å; R182-V184 PolarHBondContact O-N 3.27Å; R182-V446 PolarHBondContact NH1-O 2.89Å; R182-R447 VanDerWaalsContact NH1-CG 3.34Å
183	G	81.1	Confident	88.8	Confident	32 Å²	32	23.1 Å²	23.1	33%	0.33	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	8	-171.2	0	0	0	0	0	114.9	E450	G183-E450 PolarHBondContact N-OE1 3.34Å
184	V	86	Confident	89.4	Confident	38 Å²	38	24.9 Å²	24.9	23%	0.23	14%	0.14	C	C	.	.	S	Bend	trans	-113.7	124.1	167.7	-173.1	0	0	0	0	108.5	P61 Y62 T63 T181 R182 R447	P61-V184 HydrophobicContact CB-CB 4.09Å; P61-V184 HydrophobicContact CB-CG1 3.74Å; Y62-V184 HydrophobicContact CD1-CG1 4.07Å; Y62-V184 HydrophobicContact CE1-CG1 4.04Å; T63-V184 HydrophobicContact CG2-CG1 4.01Å; T181-V184 PolarHBondContact O-N 2.95Å; R182-V184 PolarHBondContact O-N 3.27Å; V184-R447 PolarHBondContact O-NH1 3.32Å
185	P	88.1	Confident	89.8	Confident	39 Å²	39	24.9 Å²	24.9	25%	0.253	14%	0.14	S	C	.	.			trans	-55.9	141.2	176.1	-25.9	34.2	0	0	0	112	P61 Y62 L189	P61-P185 WeakPolarHBondContact CA-O 3.3Å; Y62-P185 HydrophobicContact CD1-CB 4.28Å; Y62-P185 WeakPolarHBondContact CD1-O 3.49Å; Y62-P185 PolarHBondContact N-O 2.82Å; P185-L189 HydrophobicContact CB-CD2 4.39Å
186	V	90.1	Very high	90.1	Very high	4 Å²	4	29 Å²	29	2%	0.024	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-71.6	160.2	166.6	-64	0	0	0	0	110.1	V60 D188 L189 Y190 L444	V60-V186 CarbonylContact O-C 3.58Å; V60-V186 VanDerWaalsContact O-CA 3.23Å; V60-V186 WeakPolarHBondContact O-CA 3.36Å; V186-D188 HydrophobicContact CG2-CB 4.46Å; V186-D188 PolarHBondContact O-N 3.44Å; V186-L189 HydrophobicContact CG2-CB 4.18Å; V186-L189 PolarHBondContact O-N 3.03Å; V186-Y190 WeakPolarHBondContact O-CB 3.44Å; V186-Y190 PolarHBondContact O-N 3.14Å; V186-L444 HydrophobicContact CG2-CD1 3.77Å
187	L	93.7	Very high	90.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-53.2	-40.9	-175.7	-179.4	60.9	0	0	0	112.8	Y55 T57 V60 V65 W66 I69 Y190 L191	Y55-L187 HydrophobicContact CE1-CD2 4.4Å; T57-L187 HydrophobicContact CG2-CD2 4.21Å; T57-L187 HydrophobicContact CG2-CG 4.35Å; V60-L187 PolarHBondContact O-N 3.32Å; V65-L187 HydrophobicContact CG2-CB 4.38Å; V65-L187 HydrophobicContact CG2-CD1 4.24Å; V65-L187 HydrophobicContact CG2-CD2 4.05Å; V65-L187 HydrophobicContact CG2-CG 4.46Å; W66-L187 HydrophobicContact CE3-CD1 4.31Å; I69-L187 HydrophobicContact CD1-CD1 3.94Å; I69-L187 HydrophobicContact CD1-CD2 4.2Å; L187-Y190 PolarHBondContact O-N 3.45Å; L187-L191 HydrophobicContact CD1-CD1 4.25Å; L187-L191 HydrophobicContact CD1-CG 4.15Å; L187-L191 HydrophobicContact CG-CD1 4.15Å; L187-L191 HydrophobicContact CG-CG 4.46Å; L187-L191 WeakPolarHBondContact O-CG 3.36Å; L187-L191 PolarHBondContact O-N 3.37Å
188	D	92.6	Very high	91.1	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.064	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-53.7	-179.9	-47.4	-89.9	0	0	0	111.8	T57 H59 V186 Y190 L191 A192	T57-D188 WeakPolarHBondContact CB-OD1 3.39Å; T57-D188 PolarHBondContact OG1-OD1 3.48Å; H59-D188 IonicContact CD2-OD2 3.01Å; H59-D188 PolarHBondContact CD2-OD2 2.77Å; V186-D188 HydrophobicContact CG2-CB 4.46Å; V186-D188 PolarHBondContact O-N 3.44Å; D188-Y190 VanDerWaalsContact C-N 3.34Å; D188-Y190 PolarHBondContact O-N 3.02Å; D188-L191 PolarHBondContact O-N 3.4Å; D188-A192 PolarHBondContact O-N 3.41Å
189	L	90.9	Very high	91.7	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.131	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-38.7	178.9	-179.7	61	0	0	0	111.4	L89 T90 P185 V186 A192 Q193	L89-L189 HydrophobicContact CB-CD1 4.15Å; T90-L189 HydrophobicContact CG2-CD1 4.4Å; P185-L189 HydrophobicContact CB-CD2 4.39Å; V186-L189 HydrophobicContact CG2-CB 4.18Å; V186-L189 PolarHBondContact O-N 3.03Å; L189-A192 PolarHBondContact O-N 3.13Å; L189-Q193 HydrophobicContact CD1-CG 4.29Å; L189-Q193 HydrophobicContact CG-CG 4.43Å; L189-Q193 WeakPolarHBondContact O-CB 3.39Å; L189-Q193 VanDerWaalsContact O-CG 3.27Å; L189-Q193 WeakPolarHBondContact O-CG 3.47Å; L189-Q193 PolarHBondContact O-N 3.47Å
190	Y	94.8	Very high	92	Very high	34 Å²	34	46.7 Å²	46.7	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-45.9	175.7	172.7	-98.4	0	0	0	111.5	Y62 W66 V186 L187 D188 A192 Q193 E194	Y62-Y190 AromaticContact CD1-CD2 3.85Å; Y62-Y190 HydrophobicContact CD1-CD2 3.85Å; Y62-Y190 HydrophobicContact CD1-CG 4.02Å; Y62-Y190 AromaticContact CD2-CD1 3.89Å; Y62-Y190 HydrophobicContact CD2-CD1 3.89Å; Y62-Y190 AromaticContact CD2-CD2 3.63Å; Y62-Y190 HydrophobicContact CD2-CD2 3.63Å; Y62-Y190 AromaticContact CD2-CE1 3.95Å; Y62-Y190 HydrophobicContact CD2-CE1 3.95Å; Y62-Y190 AromaticContact CD2-CE2 3.68Å; Y62-Y190 HydrophobicContact CD2-CE2 3.68Å; Y62-Y190 AromaticContact CD2-CG 3.73Å; Y62-Y190 HydrophobicContact CD2-CG 3.73Å; Y62-Y190 AromaticContact CD2-CZ 3.83Å; Y62-Y190 AromaticContact CE1-CD2 3.95Å; Y62-Y190 HydrophobicContact CE1-CD2 3.95Å; Y62-Y190 HydrophobicContact CE1-CE2 4.39Å; Y62-Y190 AromaticContact CE2-CD2 3.73Å; Y62-Y190 HydrophobicContact CE2-CD2 3.73Å; Y62-Y190 HydrophobicContact CE2-CE1 4.43Å; Y62-Y190 AromaticContact CE2-CE2 3.46Å; Y62-Y190 HydrophobicContact CE2-CE2 3.46Å; Y62-Y190 VanDerWaalsContact CE2-CE2 3.46Å; Y62-Y190 HydrophobicContact CE2-CG 4.31Å; Y62-Y190 AromaticContact CE2-CZ 3.85Å; Y62-Y190 HydrophobicContact CG-CD1 4.02Å; Y62-Y190 AromaticContact CG-CD2 3.69Å; Y62-Y190 HydrophobicContact CG-CD2 3.69Å; Y62-Y190 HydrophobicContact CG-CE2 4.24Å; Y62-Y190 AromaticContact CG-CG 3.56Å; Y62-Y190 HydrophobicContact CG-CG 3.56Å; Y62-Y190 AromaticContact CZ-CD2 3.88Å; Y62-Y190 AromaticContact CZ-CE2 3.85Å; W66-Y190 AromaticContact CD2-CE1 3.9Å; W66-Y190 HydrophobicContact CD2-CE1 3.9Å; W66-Y190 HydrophobicContact CE3-CD1 4.16Å; W66-Y190 AromaticContact CE3-CE1 3.57Å; W66-Y190 HydrophobicContact CE3-CE1 3.57Å; W66-Y190 AromaticContact CH2-CE1 3.83Å; W66-Y190 HydrophobicContact CH2-CE1 3.83Å; W66-Y190 HydrophobicContact CZ2-CE1 4.13Å; W66-Y190 HydrophobicContact CZ3-CD1 4.2Å; W66-Y190 AromaticContact CZ3-CE1 3.56Å; W66-Y190 HydrophobicContact CZ3-CE1 3.56Å; V186-Y190 WeakPolarHBondContact O-CB 3.44Å; V186-Y190 PolarHBondContact O-N 3.14Å; L187-Y190 PolarHBondContact O-N 3.45Å; D188-Y190 VanDerWaalsContact C-N 3.34Å; D188-Y190 PolarHBondContact O-N 3.02Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; Y190-A192 PolarHBondContact O-N 3Å; Y190-Q193 PolarHBondContact O-N 2.9Å; Y190-E194 VanDerWaalsContact O-CB 3.31Å; Y190-E194 WeakPolarHBondContact O-CB 3.38Å; Y190-E194 PolarHBondContact O-N 2.8Å
191	L	96.5	Very high	92.3	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-38	176.6	-73.1	174.7	0	0	0	112	Y55 T57 W66 F77 F85 L187 D188 E194 A195 A326	Y55-L191 HydrophobicContact CD1-CD1 4.21Å; Y55-L191 HydrophobicContact CE1-CD1 4.14Å; T57-L191 HydrophobicContact CG2-CD1 3.86Å; W66-L191 HydrophobicContact CZ3-CD2 3.95Å; F77-L191 HydrophobicContact CD2-CD2 4.22Å; F77-L191 HydrophobicContact CE2-CB 4.34Å; F77-L191 HydrophobicContact CE2-CD2 4.05Å; F77-L191 HydrophobicContact CZ-CD2 4.31Å; F77-L191 WeakPolarHBondContact CZ-O 3.39Å; F85-L191 HydrophobicContact CE1-CB 3.67Å; F85-L191 HydrophobicContact CZ-CB 3.95Å; L187-L191 HydrophobicContact CD1-CD1 4.25Å; L187-L191 HydrophobicContact CD1-CG 4.15Å; L187-L191 HydrophobicContact CG-CD1 4.15Å; L187-L191 HydrophobicContact CG-CG 4.46Å; L187-L191 WeakPolarHBondContact O-CG 3.36Å; L187-L191 PolarHBondContact O-N 3.37Å; D188-L191 PolarHBondContact O-N 3.4Å; L191-E194 PolarHBondContact O-N 2.92Å; L191-A195 WeakPolarHBondContact O-CB 3.11Å; L191-A195 PolarHBondContact O-N 2.8Å; L191-A326 HydrophobicContact CD1-CB 4.29Å
192	A	94.8	Very high	92.9	Very high	8 Å²	8	52.2 Å²	52.2	7%	0.066	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-49.6	176.1	0	0	0	0	0	111.8	F85 T90 D188 L189 Y190 E194 A195 E196	F85-A192 HydrophobicContact CD2-CB 4.08Å; F85-A192 HydrophobicContact CE1-CB 4.25Å; F85-A192 VanDerWaalsContact CE2-CA 3.5Å; F85-A192 HydrophobicContact CE2-CB 3.64Å; F85-A192 HydrophobicContact CZ-CB 3.74Å; F85-A192 VanDerWaalsContact CZ-N 3.26Å; T90-A192 HydrophobicContact CG2-CB 4.03Å; D188-A192 PolarHBondContact O-N 3.41Å; L189-A192 PolarHBondContact O-N 3.13Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; Y190-A192 PolarHBondContact O-N 3Å; A192-E194 PolarHBondContact O-N 3.14Å; A192-A195 WeakPolarHBondContact O-CB 3.21Å; A192-A195 PolarHBondContact O-N 3.49Å; A192-E196 PolarHBondContact O-N 2.7Å
193	Q	93.9	Very high	93.4	Very high	82 Å²	82	52.7 Å²	52.7	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-58.2	-38.3	174.9	-71.6	173	-16.8	0	0	111.7	L189 Y190 E196 R197	L189-Q193 HydrophobicContact CD1-CG 4.29Å; L189-Q193 HydrophobicContact CG-CG 4.43Å; L189-Q193 WeakPolarHBondContact O-CB 3.39Å; L189-Q193 VanDerWaalsContact O-CG 3.27Å; L189-Q193 WeakPolarHBondContact O-CG 3.47Å; L189-Q193 PolarHBondContact O-N 3.47Å; Y190-Q193 PolarHBondContact O-N 2.9Å; Q193-E196 PolarHBondContact O-N 2.9Å; Q193-R197 WeakPolarHBondContact O-CB 3.44Å; Q193-R197 PolarHBondContact O-N 3.26Å
194	E	96.4	Very high	94.1	Very high	38 Å²	38	52.9 Å²	52.9	18%	0.178	25%	0.25	C	C	.	.	H	α-helix	trans	-73.9	-33.2	-179.9	-158.7	66	162.3	0	0	112.7	F77 Y190 L191 A192 R197 M198	F77-E194 HydrophobicContact CE1-CB 4.4Å; F77-E194 HydrophobicContact CE1-CG 4.31Å; F77-E194 HydrophobicContact CZ-CB 4.32Å; Y190-E194 VanDerWaalsContact O-CB 3.31Å; Y190-E194 WeakPolarHBondContact O-CB 3.38Å; Y190-E194 PolarHBondContact O-N 2.8Å; L191-E194 PolarHBondContact O-N 2.92Å; A192-E194 PolarHBondContact O-N 3.14Å; E194-R197 PolarHBondContact O-N 3.15Å; E194-R197 IonicContact OE1-CZ 3.33Å; E194-R197 IonicContact OE1-NE 3.15Å; E194-R197 PolarHBondContact OE1-NE 3.21Å; E194-R197 IonicContact OE1-NH2 2.66Å; E194-R197 PolarHBondContact OE1-NH2 3.4Å; E194-R197 WeakPolarHBondContact OE2-CD 3.34Å; E194-R197 IonicContact OE2-CZ 3.73Å; E194-R197 IonicContact OE2-NE 3.95Å; E194-R197 PolarHBondContact OE2-NE 2.99Å; E194-R197 IonicContact OE2-NH2 3.34Å; E194-M198 WeakPolarHBondContact O-CB 3.23Å; E194-M198 WeakPolarHBondContact O-CG 3.16Å; E194-M198 PolarHBondContact O-N 2.83Å
195	A	96.7	Very high	94.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-43	171.3	0	0	0	0	0	111.3	F77 V83 L191 A192 M198 K199 K200 T202	F77-A195 HydrophobicContact CE2-CB 4.32Å; F77-A195 HydrophobicContact CZ-CB 3.96Å; V83-A195 HydrophobicContact CB-CB 4.17Å; V83-A195 HydrophobicContact CG2-CB 3.99Å; L191-A195 WeakPolarHBondContact O-CB 3.11Å; L191-A195 PolarHBondContact O-N 2.8Å; A192-A195 WeakPolarHBondContact O-CB 3.21Å; A192-A195 PolarHBondContact O-N 3.49Å; A195-M198 CarbonylContact O-C 3.54Å; A195-M198 PolarHBondContact O-N 3.02Å; A195-K199 PolarHBondContact O-N 2.86Å; A195-K200 HydrophobicContact CB-CB 4.28Å; A195-K200 HydrophobicContact CB-CD 4.34Å; A195-K200 WeakPolarHBondContact O-CB 3.18Å; A195-K200 PolarHBondContact O-N 3.18Å; A195-T202 HydrophobicContact CB-CG2 3.62Å
196	E	93.8	Very high	95	Very high	91 Å²	91	50 Å²	50	43%	0.425	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-45.7	174.2	-71.7	-176.8	165.4	0	0	112.2	T90 A192 Q193 M198 K199	T90-E196 WeakPolarHBondContact CB-OE1 3.16Å; T90-E196 WeakPolarHBondContact CG2-OE1 3.5Å; T90-E196 PolarHBondContact OG1-OE1 3.44Å; A192-E196 PolarHBondContact O-N 2.7Å; Q193-E196 PolarHBondContact O-N 2.9Å; E196-M198 PolarHBondContact O-N 3.24Å; E196-K199 WeakPolarHBondContact O-CA 3.43Å; E196-K199 PolarHBondContact O-N 3.44Å
197	R	95.6	Very high	95.2	Very high	170 Å²	170	55.8 Å²	55.8	64%	0.642	26%	0.256	S	S	*	.	H	α-helix	trans	-58.5	-35.9	176.3	-168	-175.1	68.2	75.2	-1	111.7	Q193 E194 K199	Q193-R197 WeakPolarHBondContact O-CB 3.44Å; Q193-R197 PolarHBondContact O-N 3.26Å; E194-R197 PolarHBondContact O-N 3.15Å; E194-R197 IonicContact OE1-CZ 3.33Å; E194-R197 IonicContact OE1-NE 3.15Å; E194-R197 PolarHBondContact OE1-NE 3.21Å; E194-R197 IonicContact OE1-NH2 2.66Å; E194-R197 PolarHBondContact OE1-NH2 3.4Å; E194-R197 WeakPolarHBondContact OE2-CD 3.34Å; E194-R197 IonicContact OE2-CZ 3.73Å; E194-R197 IonicContact OE2-NE 3.95Å; E194-R197 PolarHBondContact OE2-NE 2.99Å; E194-R197 IonicContact OE2-NH2 3.34Å; R197-K199 PolarHBondContact O-N 2.83Å
198	M	96.4	Very high	95.1	Very high	71 Å²	71	56.3 Å²	56.3	35%	0.35	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	1.5	175.2	-67.5	-178.2	76.3	0	0	113.8	F77 Q78 E194 A195 E196 K200	F77-M198 HydrophobicContact CD1-SD 4.41Å; F77-M198 HydrophobicContact CE1-SD 3.85Å; Q78-M198 HydrophobicContact CB-CE 4.25Å; Q78-M198 HydrophobicContact CG-CE 4.02Å; E194-M198 WeakPolarHBondContact O-CB 3.23Å; E194-M198 WeakPolarHBondContact O-CG 3.16Å; E194-M198 PolarHBondContact O-N 2.83Å; A195-M198 CarbonylContact O-C 3.54Å; A195-M198 PolarHBondContact O-N 3.02Å; E196-M198 PolarHBondContact O-N 3.24Å; M198-K200 HydrophobicContact CB-CD 4.23Å; M198-K200 HydrophobicContact CB-CG 4.03Å; M198-K200 PolarHBondContact O-N 2.95Å
199	K	95.9	Very high	95.1	Very high	196 Å²	196	60 Å²	60	85%	0.852	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	32.3	-176.4	-55.7	-178.4	178.5	-177.9	0	113.2	A195 E196 R197	A195-K199 PolarHBondContact O-N 2.86Å; E196-K199 WeakPolarHBondContact O-CA 3.43Å; E196-K199 PolarHBondContact O-N 3.44Å; R197-K199 PolarHBondContact O-N 2.83Å
200	K	95.8	Very high	95.2	Very high	27 Å²	27	60.3 Å²	60.3	12%	0.117	28%	0.277	C	S	.	.			trans	-74.4	154.5	171.7	-65.3	175.4	179.1	-80.5	0	109	F77 Q78 S80 V83 A195 M198	F77-K200 VanDerWaalsContact O-CE 3.29Å; F77-K200 WeakPolarHBondContact O-CE 3.28Å; F77-K200 PolarHBondContact O-NZ 2.73Å; Q78-K200 VanDerWaalsContact C-NZ 3.32Å; Q78-K200 PolarHBondContact O-NZ 3.13Å; S80-K200 PolarHBondContact O-NZ 2.7Å; V83-K200 HydrophobicContact CG2-CB 4.39Å; V83-K200 HydrophobicContact CG2-CD 3.77Å; A195-K200 HydrophobicContact CB-CB 4.28Å; A195-K200 HydrophobicContact CB-CD 4.34Å; A195-K200 WeakPolarHBondContact O-CB 3.18Å; A195-K200 PolarHBondContact O-N 3.18Å; M198-K200 HydrophobicContact CB-CD 4.23Å; M198-K200 HydrophobicContact CB-CG 4.03Å; M198-K200 PolarHBondContact O-N 2.95Å
201	R	95.9	Very high	94.9	Very high	174 Å²	174	58.9 Å²	58.9	66%	0.657	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.1	167	-67.5	-177.3	-177.6	-175	-1.4	108.2	I82 V83	I82-R201 CarbonylContact C-O 3.35Å; I82-R201 WeakPolarHBondContact CA-O 3.41Å; I82-R201 HydrophobicContact CB-CB 4.45Å; I82-R201 HydrophobicContact CG1-CB 4.19Å; I82-R201 HydrophobicContact CG2-CB 3.98Å; I82-R201 WeakPolarHBondContact CG2-O 3.44Å; V83-R201 PolarHBondContact N-O 2.71Å
202	T	96.3	Very high	94.5	Very high	49 Å²	49	58.9 Å²	58.9	30%	0.301	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	159	175.3	51.1	0	0	0	0	110.4	V83 F85 A195	V83-T202 CarbonylContact O-C 3.44Å; V83-T202 VanDerWaalsContact O-CA 3.22Å; V83-T202 WeakPolarHBondContact O-CA 3.31Å; F85-T202 HydrophobicContact CE2-CG2 4.41Å; A195-T202 HydrophobicContact CB-CG2 3.62Å
203	G	95.8	Very high	94.4	Very high	11 Å²	11	64.6 Å²	64.6	11%	0.113	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	172.2	174.1	0	0	0	0	0	112.1	V83 Y84 F85	V83-G203 PolarHBondContact O-N 3.31Å; Y84-G203 WeakPolarHBondContact CA-O 3.25Å; Y84-G203 VanDerWaalsContact CD1-C 3.47Å; F85-G203 PolarHBondContact N-O 3.05Å
204	A	96.3	Very high	94.3	Very high	36 Å²	36	61 Å²	61	30%	0.298	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.2	177.7	0	0	0	0	0	110.9	F85 D88	F85-A204 WeakPolarHBondContact O-CA 3.26Å; D88-A204 HydrophobicContact CB-CB 4.06Å
205	V	97.4	Very high	94	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.03	27%	0.273	C	S	.	.	S	Bend	trans	-85.2	-20.8	176.3	177.8	0	0	0	0	111.5	Y84 F85 E86 M307 R310 V311 L314 F325 F327	Y84-V205 HydrophobicContact CD1-CG2 3.61Å; Y84-V205 HydrophobicContact CG-CG2 4.23Å; F85-V205 PolarHBondContact O-N 3.09Å; E86-V205 PolarHBondContact O-N 3.23Å; V205-M307 HydrophobicContact CG1-CB 4.2Å; V205-M307 HydrophobicContact CG1-CG 4.2Å; V205-R310 HydrophobicContact CG1-CB 3.73Å; V205-R310 WeakPolarHBondContact O-CD 3.26Å; V205-R310 PolarHBondContact O-NH1 3.22Å; V205-V311 HydrophobicContact CG2-CG2 4.44Å; V205-L314 HydrophobicContact CG2-CD1 4.19Å; V205-F325 HydrophobicContact CG2-CD1 4.35Å; V205-F327 HydrophobicContact CB-CE1 4.25Å; V205-F327 HydrophobicContact CB-CZ 4.19Å; V205-F327 HydrophobicContact CG1-CZ 4.5Å; V205-F327 HydrophobicContact CG2-CE1 3.84Å; V205-F327 HydrophobicContact CG2-CZ 3.65Å
206	E	95.9	Very high	93.6	Very high	12 Å²	12	61.6 Å²	61.6	6%	0.056	29%	0.285	C	S	.	.	S	Bend	trans	-117.8	167.3	-174.9	-53.1	-177.4	97.1	0	0	112.7	E86 E210 Q211 R303 M307	E86-E206 VanDerWaalsContact CB-OE2 3.31Å; E86-E206 WeakPolarHBondContact CB-OE2 3.29Å; E86-E206 WeakPolarHBondContact O-CA 3.48Å; E86-E206 WeakPolarHBondContact O-CB 3.3Å; E86-E206 PolarHBondContact O-N 2.95Å; E206-E210 WeakPolarHBondContact CA-OE2 3.29Å; E206-Q211 PolarHBondContact OE2-NE2 3.23Å; E206-R303 VanDerWaalsContact CD-NE 3.31Å; E206-R303 WeakPolarHBondContact OE1-CD 3.34Å; E206-R303 WeakPolarHBondContact OE1-CG 3.47Å; E206-R303 IonicContact OE1-CZ 2.82Å; E206-R303 IonicContact OE1-NE 2.81Å; E206-R303 PolarHBondContact OE1-NE 3.4Å; E206-R303 IonicContact OE1-NH2 3.57Å; E206-R303 IonicContact OE2-CZ 3.33Å; E206-R303 IonicContact OE2-NE 2.68Å; E206-R303 PolarHBondContact OE2-NE 3.36Å; E206-R303 VanDerWaalsContact OE2-NE 3.15Å; E206-R303 IonicContact OE2-NH2 3.23Å; E206-R303 PolarHBondContact OE2-NH2 3.5Å; E206-M307 HydrophobicContact CG-CG 4.1Å
207	K	94.4	Very high	93.4	Very high	125 Å²	125	59.5 Å²	59.5	54%	0.543	29%	0.287	S	S	.	.			trans	-109.5	157.1	174.7	-56.3	-176.9	178	-174.9	0	110.6	E209 E210	K207-E209 VanDerWaalsContact C-N 3.27Å; K207-E209 WeakPolarHBondContact CB-OE2 3.12Å; K207-E209 PolarHBondContact O-N 2.9Å; K207-E210 HydrophobicContact CB-CG 4.16Å; K207-E210 PolarHBondContact N-OE2 2.9Å; K207-E210 WeakPolarHBondContact O-CB 3.33Å; K207-E210 PolarHBondContact O-N 3.45Å; K207-E210 VanDerWaalsContact O-N 3.09Å
208	V	91.5	Very high	93.1	Very high	12 Å²	12	52.1 Å²	52.1	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-56.6	-42.8	179.1	173	0	0	0	0	111.6	L87 T94 A97 L98 E210 Q211 C212	L87-V208 HydrophobicContact CD1-CG2 4.18Å; T94-V208 HydrophobicContact CG2-CG2 3.77Å; A97-V208 HydrophobicContact CB-CB 4.22Å; A97-V208 HydrophobicContact CB-CG1 3.79Å; A97-V208 HydrophobicContact CB-CG2 4.05Å; L98-V208 HydrophobicContact CD2-CG1 3.88Å; L98-V208 HydrophobicContact CG-CG1 3.95Å; L98-V208 HydrophobicContact CG-CG2 4.36Å; V208-E210 PolarHBondContact O-N 2.91Å; V208-Q211 WeakPolarHBondContact O-CB 3.37Å; V208-Q211 PolarHBondContact O-N 2.88Å; V208-Q211 VanDerWaalsContact O-N 3.08Å; V208-C212 PolarHBondContact O-N 3.27Å; V208-C212 VanDerWaalsContact O-N 3.11Å; V208-C212 PolarHBondContact O-SG 2.9Å
209	E	91.9	Very high	92.9	Very high	90 Å²	90	52.1 Å²	52.1	42%	0.421	26%	0.262	S	S	.	.	H	α-helix	trans	-61.6	-32.4	-178.1	-60.3	73.8	-153.8	0	0	111.7	K207 Q211 C212 H213	K207-E209 VanDerWaalsContact C-N 3.27Å; K207-E209 WeakPolarHBondContact CB-OE2 3.12Å; K207-E209 PolarHBondContact O-N 2.9Å; E209-Q211 VanDerWaalsContact C-N 3.25Å; E209-Q211 PolarHBondContact O-N 2.82Å; E209-C212 PolarHBondContact O-N 3.43Å; E209-H213 VanDerWaalsContact O-CB 3.3Å; E209-H213 WeakPolarHBondContact O-CB 3.34Å; E209-H213 PolarHBondContact O-CD2 3.46Å; E209-H213 PolarHBondContact O-N 3.44Å
210	E	93.3	Very high	92.6	Very high	31 Å²	31	48.1 Å²	48.1	15%	0.145	25%	0.245	C	C	.	.	H	α-helix	trans	-72.4	-21.4	-178.8	-59.4	176	149.9	0	0	112.6	E206 K207 V208 P214 R306 R310	E206-E210 WeakPolarHBondContact CA-OE2 3.29Å; K207-E210 HydrophobicContact CB-CG 4.16Å; K207-E210 PolarHBondContact N-OE2 2.9Å; K207-E210 WeakPolarHBondContact O-CB 3.33Å; K207-E210 PolarHBondContact O-N 3.45Å; K207-E210 VanDerWaalsContact O-N 3.09Å; V208-E210 PolarHBondContact O-N 2.91Å; E210-P214 WeakPolarHBondContact O-CD 3.41Å; E210-P214 WeakPolarHBondContact O-CG 3.41Å; E210-R306 IonicContact OE1-NE 3.33Å; E210-R310 IonicContact OE1-CZ 3.58Å; E210-R310 IonicContact OE1-NH1 2.71Å; E210-R310 PolarHBondContact OE1-NH1 3.13Å; E210-R310 IonicContact OE1-NH2 3.56Å; E210-R310 PolarHBondContact OE1-NH2 3.29Å; E210-R310 IonicContact OE2-CZ 2.66Å; E210-R310 IonicContact OE2-NH1 2.65Å; E210-R310 PolarHBondContact OE2-NH1 3.36Å; E210-R310 IonicContact OE2-NH2 3.42Å
211	Q	87.6	Confident	92.5	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.019	27%	0.267	C	S	.	.	H	α-helix	trans	-86.8	-35.8	173.1	-57.7	-71.7	36.7	0	0	111.4	L87 E206 V208 E209 W445	L87-Q211 HydrophobicContact CD1-CG 4.49Å; L87-Q211 HydrophobicContact CD2-CG 4.48Å; E206-Q211 PolarHBondContact OE2-NE2 3.23Å; V208-Q211 WeakPolarHBondContact O-CB 3.37Å; V208-Q211 PolarHBondContact O-N 2.88Å; V208-Q211 VanDerWaalsContact O-N 3.08Å; E209-Q211 VanDerWaalsContact C-N 3.25Å; E209-Q211 PolarHBondContact O-N 2.82Å; Q211-W445 HydrophobicContact CB-CH2 3.65Å; Q211-W445 HydrophobicContact CB-CZ2 4.13Å; Q211-W445 HydrophobicContact CB-CZ3 4.24Å; Q211-W445 HydrophobicContact CG-CH2 3.58Å; Q211-W445 HydrophobicContact CG-CZ2 4.22Å; Q211-W445 HydrophobicContact CG-CZ3 4.41Å
212	C	89.6	Confident	92.3	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.034	24%	0.24	C	C	.	.	H	α-helix	trans	-82.4	-40.5	-175.4	-58.7	0	0	0	0	113.5	C101 W166 V208 E209 L215 N216	C101-C212 HydrophobicContact CB-CB 3.51Å; C101-C212 WeakPolarHBondContact CB-SG 3.2Å; C101-C212 WeakPolarHBondContact SG-CB 3.07Å; C101-C212 CovalentContact SG-SG 2.03Å; C101-C212 PolarHBondContact SG-SG 3.04Å; W166-C212 HydrophobicContact CZ2-CB 4.47Å; V208-C212 PolarHBondContact O-N 3.27Å; V208-C212 VanDerWaalsContact O-N 3.11Å; V208-C212 PolarHBondContact O-SG 2.9Å; E209-C212 PolarHBondContact O-N 3.43Å; C212-L215 PolarHBondContact O-N 2.83Å; C212-N216 WeakPolarHBondContact O-CB 3.47Å; C212-N216 PolarHBondContact O-N 3.22Å
213	H	91.9	Very high	92.2	Very high	128 Å²	128	41.8 Å²	41.8	59%	0.593	23%	0.229	S	C	*	.	H	α-helix	trans	-60.9	-43.3	-175	-79.1	-52.7	0	0	0	114	E209 L215 N216 G217	E209-H213 VanDerWaalsContact O-CB 3.3Å; E209-H213 WeakPolarHBondContact O-CB 3.34Å; E209-H213 PolarHBondContact O-CD2 3.46Å; E209-H213 PolarHBondContact O-N 3.44Å; H213-L215 VanDerWaalsContact C-N 3.28Å; H213-L215 PolarHBondContact O-N 3.41Å; H213-N216 CarbonylContact O-C 3.56Å; H213-N216 PolarHBondContact O-N 3.2Å; H213-G217 PolarHBondContact O-N 3.42Å
214	P	92.3	Very high	92.1	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.032	23%	0.231	C	C	.	.	H	α-helix	trans	-55.6	-43.6	175.7	-30	38.6	0	0	0	112.6	E210 G217 Y294 E298 L299	E210-P214 WeakPolarHBondContact O-CD 3.41Å; E210-P214 WeakPolarHBondContact O-CG 3.41Å; P214-G217 PolarHBondContact O-N 2.77Å; P214-Y294 WeakPolarHBondContact O-CE1 3.33Å; P214-Y294 PolarHBondContact O-OH 3.27Å; P214-E298 HydrophobicContact CB-CB 3.83Å; P214-E298 HydrophobicContact CG-CB 4.15Å; P214-L299 HydrophobicContact CB-CD2 3.55Å; P214-L299 HydrophobicContact CB-CG 4.05Å; P214-L299 HydrophobicContact CG-CD2 3.83Å
215	L	89.6	Confident	92	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-69	-42.3	179.3	-65.4	172.8	0	0	0	111.9	V165 W166 L169 C212 H213 G217 V272 F295	V165-L215 HydrophobicContact CG1-CB 4.38Å; V165-L215 HydrophobicContact CG2-CB 4.39Å; V165-L215 HydrophobicContact CG2-CD2 4.49Å; W166-L215 HydrophobicContact CD2-CD1 4.48Å; W166-L215 HydrophobicContact CE3-CD1 4.29Å; W166-L215 HydrophobicContact CH2-CD1 3.29Å; W166-L215 HydrophobicContact CZ2-CB 4.22Å; W166-L215 HydrophobicContact CZ2-CD1 3.49Å; W166-L215 VanDerWaalsContact CZ2-CD1 3.49Å; W166-L215 HydrophobicContact CZ2-CG 4.49Å; W166-L215 HydrophobicContact CZ3-CD1 3.7Å; L169-L215 HydrophobicContact CD1-CD1 3.81Å; L169-L215 HydrophobicContact CD1-CD2 4.01Å; C212-L215 PolarHBondContact O-N 2.83Å; H213-L215 VanDerWaalsContact C-N 3.28Å; H213-L215 PolarHBondContact O-N 3.41Å; L215-G217 VanDerWaalsContact C-N 3.28Å; L215-G217 PolarHBondContact O-N 3.37Å; L215-V272 HydrophobicContact CD2-CG1 3.93Å; L215-F295 HydrophobicContact CD2-CE1 3.84Å; L215-F295 HydrophobicContact CD2-CZ 4.11Å
216	N	88.4	Confident	91.7	Very high	46 Å²	46	41.6 Å²	41.6	25%	0.246	22%	0.22	C	C	.	.	H	α-helix	trans	-78.4	-9	-179.2	-70.3	-23.2	0	0	0	113.8	C101 R163 W166 C212 H213	C101-N216 PolarHBondContact O-ND2 3.09Å; C101-N216 VanDerWaalsContact O-ND2 3.12Å; R163-N216 VanDerWaalsContact CD-OD1 3.23Å; R163-N216 WeakPolarHBondContact CD-OD1 3.42Å; W166-N216 PolarHBondContact NE1-OD1 3.5Å; C212-N216 WeakPolarHBondContact O-CB 3.47Å; C212-N216 PolarHBondContact O-N 3.22Å; H213-N216 CarbonylContact O-C 3.56Å; H213-N216 PolarHBondContact O-N 3.2Å
217	G	88.9	Confident	91.6	Very high	47 Å²	47	41 Å²	41	49%	0.485	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.2	-177.6	0	0	0	0	0	115.3	H213 P214 L215 Y294	H213-G217 PolarHBondContact O-N 3.42Å; P214-G217 PolarHBondContact O-N 2.77Å; L215-G217 VanDerWaalsContact C-N 3.28Å; L215-G217 PolarHBondContact O-N 3.37Å; G217-Y294 WeakPolarHBondContact CA-OH 3.18Å
218	L	90.6	Very high	91.6	Very high	15 Å²	15	37.3 Å²	37.3	8%	0.079	20%	0.203	C	C	.	.	S	Bend	trans	-62.6	144.9	173.8	-77.5	-178.2	0	0	0	111.5	V165 Q222 V223 I291 Y294 F295	V165-L218 HydrophobicContact CG2-CD1 4.36Å; L218-Q222 HydrophobicContact CD2-CB 4.47Å; L218-V223 HydrophobicContact CB-CG2 3.52Å; L218-V223 HydrophobicContact CD1-CG2 4.11Å; L218-I291 HydrophobicContact CD2-CG1 4.32Å; L218-I291 HydrophobicContact CD2-CG2 4.47Å; L218-Y294 HydrophobicContact CD2-CD1 3.44Å; L218-Y294 VanDerWaalsContact CD2-CD1 3.44Å; L218-Y294 HydrophobicContact CD2-CE1 3.68Å; L218-Y294 HydrophobicContact CD2-CG 4.19Å; L218-Y294 HydrophobicContact CG-CD1 4.24Å; L218-Y294 HydrophobicContact CG-CE1 4.02Å; L218-F295 HydrophobicContact CD1-CE1 4.25Å; L218-F295 HydrophobicContact CD1-CE2 3.88Å; L218-F295 HydrophobicContact CD1-CZ 3.41Å; L218-F295 VanDerWaalsContact CD1-CZ 3.41Å; L218-F295 HydrophobicContact CD2-CZ 4.3Å; L218-F295 HydrophobicContact CG-CE1 4.27Å; L218-F295 HydrophobicContact CG-CZ 3.89Å
219	N	91.4	Very high	91.6	Very high	70 Å²	70	38 Å²	38	37%	0.374	21%	0.206	S	C	.	.			trans	-69.6	152.1	175.2	77.2	38.6	0	0	0	110.7	S221 Q222 V223	N219-S221 VanDerWaalsContact C-N 3.28Å; N219-S221 PolarHBondContact O-N 3.46Å; N219-S221 PolarHBondContact OD1-N 3.42Å; N219-S221 PolarHBondContact OD1-OG 2.91Å; N219-Q222 PolarHBondContact ND2-NE2 2.95Å; N219-Q222 PolarHBondContact ND2-OE1 3.23Å; N219-Q222 WeakPolarHBondContact O-CB 3.08Å; N219-Q222 PolarHBondContact O-N 3.44Å; N219-Q222 VanDerWaalsContact O-N 3.09Å; N219-Q222 WeakPolarHBondContact OD1-CA 3.15Å; N219-Q222 WeakPolarHBondContact OD1-CB 3.38Å; N219-Q222 WeakPolarHBondContact OD1-CG 2.74Å; N219-Q222 PolarHBondContact OD1-N 2.68Å; N219-V223 WeakPolarHBondContact O-CG2 3.42Å; N219-V223 PolarHBondContact O-N 2.62Å
220	F	90.4	Very high	91.5	Very high	113 Å²	113	33.7 Å²	33.7	50%	0.496	19%	0.186	S	C	.	.	H	α-helix	trans	-58.7	-39.9	-173.5	-173.8	-105.2	0	0	0	112.7	V113 Q222 V223 I224	V113-F220 HydrophobicContact CB-CE2 4.41Å; V113-F220 WeakPolarHBondContact O-CZ 3.46Å; F220-Q222 PolarHBondContact O-N 3.22Å; F220-V223 PolarHBondContact O-N 3.07Å; F220-I224 HydrophobicContact CD1-CG1 4.12Å; F220-I224 HydrophobicContact CE1-CD1 4.09Å; F220-I224 HydrophobicContact CE1-CG1 3.61Å; F220-I224 HydrophobicContact CE2-CD1 4.16Å; F220-I224 HydrophobicContact CE2-CG1 4.25Å; F220-I224 HydrophobicContact CZ-CD1 3.62Å; F220-I224 HydrophobicContact CZ-CG1 3.65Å; F220-I224 WeakPolarHBondContact O-CG1 3.13Å; F220-I224 PolarHBondContact O-N 3.06Å
221	S	92.3	Very high	91.5	Very high	83 Å²	83	32.2 Å²	32.2	58%	0.58	18%	0.179	S	C	*	.	H	α-helix	trans	-61.7	-39.9	176	40.3	0	0	0	0	113.8	N219 I224 F225	N219-S221 VanDerWaalsContact C-N 3.28Å; N219-S221 PolarHBondContact O-N 3.46Å; N219-S221 PolarHBondContact OD1-N 3.42Å; N219-S221 PolarHBondContact OD1-OG 2.91Å; S221-I224 PolarHBondContact O-N 2.83Å; S221-F225 WeakPolarHBondContact O-CB 3.38Å; S221-F225 PolarHBondContact O-N 2.82Å
222	Q	93.6	Very high	91.7	Very high	21 Å²	21	35.8 Å²	35.8	10%	0.098	20%	0.197	C	C	.	.	H	α-helix	trans	-66	-41.3	176.9	-79.8	168	-20.1	0	0	110.1	L218 N219 F220 F225 A226 T287 I291	L218-Q222 HydrophobicContact CD2-CB 4.47Å; N219-Q222 PolarHBondContact ND2-NE2 2.95Å; N219-Q222 PolarHBondContact ND2-OE1 3.23Å; N219-Q222 WeakPolarHBondContact O-CB 3.08Å; N219-Q222 PolarHBondContact O-N 3.44Å; N219-Q222 VanDerWaalsContact O-N 3.09Å; N219-Q222 WeakPolarHBondContact OD1-CA 3.15Å; N219-Q222 WeakPolarHBondContact OD1-CB 3.38Å; N219-Q222 WeakPolarHBondContact OD1-CG 2.74Å; N219-Q222 PolarHBondContact OD1-N 2.68Å; F220-Q222 PolarHBondContact O-N 3.22Å; Q222-F225 PolarHBondContact O-N 2.99Å; Q222-A226 VanDerWaalsContact O-CB 3.23Å; Q222-A226 WeakPolarHBondContact O-CB 3.39Å; Q222-A226 PolarHBondContact O-N 2.81Å; Q222-T287 HydrophobicContact CG-CG2 4.05Å; Q222-I291 HydrophobicContact CB-CD1 3.79Å; Q222-I291 HydrophobicContact CB-CG1 3.85Å; Q222-I291 HydrophobicContact CG-CD1 4Å; Q222-I291 HydrophobicContact CG-CG1 3.74Å
223	V	92.9	Very high	91.6	Very high	12 Å²	12	36.3 Å²	36.3	7%	0.073	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-41.6	177.3	-177	0	0	0	0	111.4	P164 V165 L218 N219 F220 A226 L227	P164-V223 HydrophobicContact CB-CG1 3.52Å; V165-V223 HydrophobicContact CB-CG1 4.09Å; V165-V223 HydrophobicContact CB-CG2 4.45Å; L218-V223 HydrophobicContact CB-CG2 3.52Å; L218-V223 HydrophobicContact CD1-CG2 4.11Å; N219-V223 WeakPolarHBondContact O-CG2 3.42Å; N219-V223 PolarHBondContact O-N 2.62Å; F220-V223 PolarHBondContact O-N 3.07Å; V223-A226 PolarHBondContact O-N 2.94Å; V223-L227 WeakPolarHBondContact O-CB 3.22Å; V223-L227 PolarHBondContact O-N 3.07Å
224	I	94.2	Very high	91.5	Very high	28 Å²	28	30.7 Å²	30.7	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-44.8	174.7	-68.3	-53.8	0	0	0	111.3	L114 P115 I118 F220 S221 N228	L114-I224 HydrophobicContact CD2-CD1 3.44Å; L114-I224 VanDerWaalsContact CD2-CD1 3.44Å; P115-I224 HydrophobicContact CG-CD1 4.37Å; P115-I224 HydrophobicContact CG-CG2 4.36Å; I118-I224 HydrophobicContact CD1-CG2 3.6Å; F220-I224 HydrophobicContact CD1-CG1 4.12Å; F220-I224 HydrophobicContact CE1-CD1 4.09Å; F220-I224 HydrophobicContact CE1-CG1 3.61Å; F220-I224 HydrophobicContact CE2-CD1 4.16Å; F220-I224 HydrophobicContact CE2-CG1 4.25Å; F220-I224 HydrophobicContact CZ-CD1 3.62Å; F220-I224 HydrophobicContact CZ-CG1 3.65Å; F220-I224 WeakPolarHBondContact O-CG1 3.13Å; F220-I224 PolarHBondContact O-N 3.06Å; S221-I224 PolarHBondContact O-N 2.83Å; I224-N228 VanDerWaalsContact O-CB 3.26Å; I224-N228 WeakPolarHBondContact O-CB 3.47Å; I224-N228 PolarHBondContact O-N 2.94Å
225	F	93.5	Very high	91.4	Very high	20 Å²	20	33.1 Å²	33.1	9%	0.088	18%	0.184	C	C	.	.	H	α-helix	trans	-57.1	-52.3	173.9	168.5	-98.6	0	0	0	111.1	S221 Q222 L227 N228 Q229 F275 L280 E284 T287 A288 I291	S221-F225 WeakPolarHBondContact O-CB 3.38Å; S221-F225 PolarHBondContact O-N 2.82Å; Q222-F225 PolarHBondContact O-N 2.99Å; F225-L227 PolarHBondContact O-N 3.32Å; F225-N228 WeakPolarHBondContact O-CB 3.41Å; F225-N228 PolarHBondContact O-N 3.45Å; F225-Q229 HydrophobicContact CD1-CG 4.46Å; F225-Q229 HydrophobicContact CD2-CG 4.13Å; F225-Q229 HydrophobicContact CE1-CG 4.05Å; F225-Q229 HydrophobicContact CE2-CG 3.65Å; F225-Q229 HydrophobicContact CZ-CG 3.63Å; F225-Q229 WeakPolarHBondContact O-CG 3.29Å; F225-Q229 PolarHBondContact O-N 2.85Å; F225-F275 HydrophobicContact CE1-CB 4.3Å; F225-F275 HydrophobicContact CE1-CG 4.42Å; F225-L280 HydrophobicContact CZ-CD1 4.07Å; F225-E284 HydrophobicContact CD2-CG 4.17Å; F225-E284 HydrophobicContact CE2-CB 3.63Å; F225-E284 HydrophobicContact CE2-CG 3.68Å; F225-E284 HydrophobicContact CZ-CB 4.2Å; F225-T287 HydrophobicContact CB-CG2 4.15Å; F225-T287 HydrophobicContact CD1-CG2 3.69Å; F225-T287 HydrophobicContact CD2-CG2 4.47Å; F225-T287 HydrophobicContact CE1-CG2 4.2Å; F225-T287 HydrophobicContact CG-CG2 3.83Å; F225-A288 HydrophobicContact CE1-CB 4.06Å; F225-A288 HydrophobicContact CZ-CB 4.15Å; F225-I291 HydrophobicContact CD1-CD1 3.7Å; F225-I291 HydrophobicContact CE1-CD1 4.19Å
226	A	92.1	Very high	91.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-47	-177.2	0	0	0	0	0	111.9	M168 Q222 V223 N228 Q229 T230 F275 I291	M168-A226 HydrophobicContact SD-CB 3.43Å; M168-A226 WeakPolarHBondContact SD-CB 3.24Å; Q222-A226 VanDerWaalsContact O-CB 3.23Å; Q222-A226 WeakPolarHBondContact O-CB 3.39Å; Q222-A226 PolarHBondContact O-N 2.81Å; V223-A226 PolarHBondContact O-N 2.94Å; A226-N228 VanDerWaalsContact C-N 3.34Å; A226-N228 PolarHBondContact O-N 2.91Å; A226-Q229 PolarHBondContact O-N 3.4Å; A226-T230 PolarHBondContact O-N 2.86Å; A226-T230 PolarHBondContact O-OG1 2.92Å; A226-T230 VanDerWaalsContact O-OG1 3.06Å; A226-F275 HydrophobicContact CB-CE1 4.24Å; A226-F275 HydrophobicContact CB-CE2 3.87Å; A226-F275 HydrophobicContact CB-CZ 3.58Å; A226-I291 HydrophobicContact CB-CD1 4.37Å
227	L	93.6	Very high	91.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-40.7	175.8	180	59.9	0	0	0	112.1	L114 I118 V167 M168 V223 F225 T230 L231	L114-L227 HydrophobicContact CD1-CD2 3.97Å; L114-L227 HydrophobicContact CD2-CD2 3.96Å; I118-L227 HydrophobicContact CG2-CD2 3.86Å; I118-L227 HydrophobicContact CG2-CG 4.19Å; V167-L227 HydrophobicContact CG1-CD1 4.26Å; M168-L227 HydrophobicContact CB-CB 4.38Å; M168-L227 HydrophobicContact CB-CD1 3.99Å; V223-L227 WeakPolarHBondContact O-CB 3.22Å; V223-L227 PolarHBondContact O-N 3.07Å; F225-L227 PolarHBondContact O-N 3.32Å; L227-T230 PolarHBondContact O-N 2.72Å; L227-L231 HydrophobicContact CD1-CD1 4.44Å; L227-L231 HydrophobicContact CD1-CG 4.39Å; L227-L231 HydrophobicContact CG-CD1 4.32Å; L227-L231 WeakPolarHBondContact O-CG 3.45Å; L227-L231 PolarHBondContact O-N 3.18Å
228	N	93.8	Very high	91.2	Very high	46 Å²	46	36.3 Å²	36.3	25%	0.246	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-45.2	176.7	-175	29	0	0	0	111.7	I118 R121 I224 F225 A226 L231 L232	I118-N228 HydrophobicContact CD1-CB 4.3Å; R121-N228 PolarHBondContact NH1-OD1 2.92Å; I224-N228 VanDerWaalsContact O-CB 3.26Å; I224-N228 WeakPolarHBondContact O-CB 3.47Å; I224-N228 PolarHBondContact O-N 2.94Å; F225-N228 WeakPolarHBondContact O-CB 3.41Å; F225-N228 PolarHBondContact O-N 3.45Å; A226-N228 VanDerWaalsContact C-N 3.34Å; A226-N228 PolarHBondContact O-N 2.91Å; N228-L231 PolarHBondContact O-N 3.45Å; N228-L232 WeakPolarHBondContact O-CB 3.13Å; N228-L232 PolarHBondContact O-N 3.23Å
229	Q	90.9	Very high	91.2	Very high	27 Å²	27	39.2 Å²	39.2	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-41.5	176.4	-66.6	-55.2	-36.7	0	0	111.8	F225 A226 L231 L232 Q233 F275 E284	F225-Q229 HydrophobicContact CD1-CG 4.46Å; F225-Q229 HydrophobicContact CD2-CG 4.13Å; F225-Q229 HydrophobicContact CE1-CG 4.05Å; F225-Q229 HydrophobicContact CE2-CG 3.65Å; F225-Q229 HydrophobicContact CZ-CG 3.63Å; F225-Q229 WeakPolarHBondContact O-CG 3.29Å; F225-Q229 PolarHBondContact O-N 2.85Å; A226-Q229 PolarHBondContact O-N 3.4Å; Q229-L231 PolarHBondContact O-N 3.32Å; Q229-L232 PolarHBondContact O-N 3.02Å; Q229-Q233 VanDerWaalsContact O-CB 3.31Å; Q229-Q233 WeakPolarHBondContact O-CB 3.37Å; Q229-Q233 PolarHBondContact O-N 3.44Å; Q229-F275 HydrophobicContact CB-CD1 3.78Å; Q229-F275 HydrophobicContact CB-CE1 4.04Å; Q229-F275 HydrophobicContact CG-CD1 4.42Å; Q229-E284 PolarHBondContact NE2-OE2 3.32Å; Q229-E284 VanDerWaalsContact NE2-OE2 3.12Å
230	T	91	Very high	90.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-43.9	174.9	-61.6	0	0	0	0	111.7	M168 V171 N172 A226 L227 Q233 Q234	M168-T230 HydrophobicContact CG-CG2 4.29Å; M168-T230 VanDerWaalsContact CG-OG1 3.25Å; M168-T230 WeakPolarHBondContact CG-OG1 3.34Å; V171-T230 HydrophobicContact CB-CG2 4.29Å; V171-T230 HydrophobicContact CG1-CG2 3.89Å; N172-T230 HydrophobicContact CB-CG2 4.25Å; A226-T230 PolarHBondContact O-N 2.86Å; A226-T230 PolarHBondContact O-OG1 2.92Å; A226-T230 VanDerWaalsContact O-OG1 3.06Å; L227-T230 PolarHBondContact O-N 2.72Å; T230-Q233 WeakPolarHBondContact O-CB 3.05Å; T230-Q233 PolarHBondContact O-N 2.89Å; T230-Q234 VanDerWaalsContact O-CG 3.31Å; T230-Q234 WeakPolarHBondContact O-CG 3.25Å; T230-Q234 PolarHBondContact O-N 3.22Å
231	L	93.4	Very high	90.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-43.2	176.1	-73.1	170.7	0	0	0	111.9	I118 R121 L122 H125 V171 L227 N228 Q229 Q233 Q234 E235	I118-L231 HydrophobicContact CG2-CD1 4.08Å; R121-L231 HydrophobicContact CB-CD1 4.26Å; L122-L231 HydrophobicContact CB-CD1 4.22Å; L122-L231 HydrophobicContact CB-CD2 4.45Å; L122-L231 HydrophobicContact CD1-CD2 4.24Å; H125-L231 HydrophobicContact CB-CD2 4.08Å; V171-L231 HydrophobicContact CG1-CD2 4.27Å; L227-L231 HydrophobicContact CD1-CD1 4.44Å; L227-L231 HydrophobicContact CD1-CG 4.39Å; L227-L231 HydrophobicContact CG-CD1 4.32Å; L227-L231 WeakPolarHBondContact O-CG 3.45Å; L227-L231 PolarHBondContact O-N 3.18Å; N228-L231 PolarHBondContact O-N 3.45Å; Q229-L231 PolarHBondContact O-N 3.32Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-Q233 PolarHBondContact O-N 2.99Å; L231-Q234 PolarHBondContact O-N 3.37Å; L231-E235 WeakPolarHBondContact O-CB 3.4Å; L231-E235 WeakPolarHBondContact O-CG 3.49Å; L231-E235 PolarHBondContact O-N 3.1Å
232	L	91.4	Very high	89.7	Confident	78 Å²	78	35.3 Å²	35.3	41%	0.408	21%	0.208	S	C	.	.	H	α-helix	trans	-61.2	-41.8	176.4	-179.6	64.1	0	0	0	111.8	N228 Q229 E235 S236	N228-L232 WeakPolarHBondContact O-CB 3.13Å; N228-L232 PolarHBondContact O-N 3.23Å; Q229-L232 PolarHBondContact O-N 3.02Å; L232-E235 PolarHBondContact O-N 3.02Å; L232-S236 WeakPolarHBondContact O-CB 3.37Å; L232-S236 PolarHBondContact O-N 3.4Å; L232-S236 PolarHBondContact O-OG 3.16Å
233	Q	87.5	Confident	88.5	Confident	17 Å²	17	44.5 Å²	44.5	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-49.8	174.9	-177.3	176.2	29	0	0	111	Q229 T230 L231 E235 S236 L237 L242 H440	Q229-Q233 VanDerWaalsContact O-CB 3.31Å; Q229-Q233 WeakPolarHBondContact O-CB 3.37Å; Q229-Q233 PolarHBondContact O-N 3.44Å; T230-Q233 WeakPolarHBondContact O-CB 3.05Å; T230-Q233 PolarHBondContact O-N 2.89Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-Q233 PolarHBondContact O-N 2.99Å; Q233-E235 VanDerWaalsContact C-N 3.33Å; Q233-E235 PolarHBondContact O-N 2.87Å; Q233-S236 PolarHBondContact O-N 2.82Å; Q233-S236 VanDerWaalsContact O-N 3.17Å; Q233-L237 HydrophobicContact CG-CD1 4.3Å; Q233-L237 WeakPolarHBondContact O-CG 3.24Å; Q233-L237 PolarHBondContact O-N 3.47Å; Q233-L242 HydrophobicContact CB-CD2 4.4Å; Q233-L242 HydrophobicContact CG-CD2 3.65Å; Q233-H440 PolarHBondContact NE2-CD2 2.85Å; Q233-H440 PolarHBondContact NE2-NE2 3.22Å
234	Q	89.1	Confident	87.3	Confident	9 Å²	9	44.9 Å²	44.9	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-36.5	178.3	-68.6	-61	-25.4	0	0	112.7	V171 T230 L231 R238	V171-Q234 HydrophobicContact CG1-CG 3.86Å; T230-Q234 VanDerWaalsContact O-CG 3.31Å; T230-Q234 WeakPolarHBondContact O-CG 3.25Å; T230-Q234 PolarHBondContact O-N 3.22Å; L231-Q234 PolarHBondContact O-N 3.37Å; Q234-R238 VanDerWaalsContact O-CG 3.29Å; Q234-R238 WeakPolarHBondContact O-CG 3.3Å; Q234-R238 PolarHBondContact O-N 2.95Å; Q234-R238 VanDerWaalsContact O-N 3.07Å; Q234-R238 PolarHBondContact O-NE 3.08Å
235	E	91.4	Very high	85.7	Confident	56 Å²	56	47.4 Å²	47.4	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-45.3	172	-74.3	161.6	178.8	0	0	111.6	R121 L231 L232 Q233 R238 A239	R121-E235 IonicContact CZ-OE1 3.3Å; R121-E235 IonicContact CZ-OE2 2.78Å; R121-E235 IonicContact NE-OE1 3.64Å; R121-E235 PolarHBondContact NE-OE1 3.09Å; R121-E235 VanDerWaalsContact NE-OE1 3.11Å; R121-E235 IonicContact NE-OE2 3.45Å; R121-E235 IonicContact NH2-OE1 2.65Å; R121-E235 PolarHBondContact NH2-OE1 2.97Å; R121-E235 IonicContact NH2-OE2 3.64Å; R121-E235 PolarHBondContact NH2-OE2 2.92Å; L231-E235 WeakPolarHBondContact O-CB 3.4Å; L231-E235 WeakPolarHBondContact O-CG 3.49Å; L231-E235 PolarHBondContact O-N 3.1Å; L232-E235 PolarHBondContact O-N 3.02Å; Q233-E235 VanDerWaalsContact C-N 3.33Å; Q233-E235 PolarHBondContact O-N 2.87Å; E235-R238 PolarHBondContact O-N 3.49Å; E235-A239 PolarHBondContact O-N 3.41Å
236	S	88.9	Confident	84.6	Confident	30 Å²	30	52.2 Å²	52.2	21%	0.21	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-38.4	179.4	-56.4	0	0	0	0	112.6	L232 Q233 A239 G240 S241	L232-S236 WeakPolarHBondContact O-CB 3.37Å; L232-S236 PolarHBondContact O-N 3.4Å; L232-S236 PolarHBondContact O-OG 3.16Å; Q233-S236 PolarHBondContact O-N 2.82Å; Q233-S236 VanDerWaalsContact O-N 3.17Å; S236-A239 PolarHBondContact O-N 3.28Å; S236-G240 PolarHBondContact O-N 3.45Å; S236-S241 WeakPolarHBondContact CA-OG 3.45Å; S236-S241 PolarHBondContact O-N 3.29Å; S236-S241 PolarHBondContact O-OG 3.44Å; S236-S241 VanDerWaalsContact O-OG 3.12Å
237	L	85.1	Confident	83.9	Confident	48 Å²	48	52.8 Å²	52.8	25%	0.251	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-45	172.6	-73.7	172.2	0	0	0	111.5	Q233 A239 G240 V244	Q233-L237 HydrophobicContact CG-CD1 4.3Å; Q233-L237 WeakPolarHBondContact O-CG 3.24Å; Q233-L237 PolarHBondContact O-N 3.47Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-A239 PolarHBondContact O-N 2.91Å; L237-G240 PolarHBondContact O-N 3.46Å; L237-V244 HydrophobicContact CD2-CG2 3.96Å
238	R	88.6	Confident	83.2	Confident	88 Å²	88	53.5 Å²	53.5	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-33.9	176.5	-70	-178.8	-56.8	-167.8	0.7	112.9	H125 Y128 Q234 E235 G240	H125-R238 VanDerWaalsContact ND1-CZ 3.32Å; H125-R238 PolarHBondContact ND1-NH1 3.18Å; Y128-R238 VanDerWaalsContact CD1-NH1 3.34Å; Y128-R238 HydrophobicContact CE1-CG 3.88Å; Y128-R238 VanDerWaalsContact CZ-CD 3.44Å; Q234-R238 VanDerWaalsContact O-CG 3.29Å; Q234-R238 WeakPolarHBondContact O-CG 3.3Å; Q234-R238 PolarHBondContact O-N 2.95Å; Q234-R238 VanDerWaalsContact O-N 3.07Å; Q234-R238 PolarHBondContact O-NE 3.08Å; E235-R238 PolarHBondContact O-N 3.49Å; R238-G240 PolarHBondContact O-N 3.1Å
239	A	89.4	Confident	82.6	Confident	76 Å²	76	54.4 Å²	54.4	63%	0.628	29%	0.291	S	S	*	.	H	α-helix	trans	-72.9	-14.2	174.1	0	0	0	0	0	112.8	E235 S236 L237 S241	E235-A239 PolarHBondContact O-N 3.41Å; S236-A239 PolarHBondContact O-N 3.28Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-A239 PolarHBondContact O-N 2.91Å; A239-S241 PolarHBondContact O-N 3.48Å
240	G	85.6	Confident	82.3	Confident	49 Å²	49	55.5 Å²	55.5	51%	0.505	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	15.9	-173.8	0	0	0	0	0	113.5	S236 L237 R238	S236-G240 PolarHBondContact O-N 3.45Å; L237-G240 PolarHBondContact O-N 3.46Å; R238-G240 PolarHBondContact O-N 3.1Å
241	S	81.8	Confident	82	Confident	91 Å²	91	55.7 Å²	55.7	64%	0.636	30%	0.299	S	S	*	.			trans	-88.4	-19.6	-177.6	56.6	0	0	0	0	113.4	S236 A239	S236-S241 WeakPolarHBondContact CA-OG 3.45Å; S236-S241 PolarHBondContact O-N 3.29Å; S236-S241 PolarHBondContact O-OG 3.44Å; S236-S241 VanDerWaalsContact O-OG 3.12Å; A239-S241 PolarHBondContact O-N 3.48Å
242	L	76.7	Confident	81.8	Confident	44 Å²	44	56 Å²	56	23%	0.23	30%	0.301	C	S	.	.			trans	-109.1	132.5	-178.9	-176.1	65.2	0	0	0	111.3	Q233	Q233-L242 HydrophobicContact CB-CD2 4.4Å; Q233-L242 HydrophobicContact CG-CD2 3.65Å
243	R	68.3	Low	81.5	Confident	214 Å²	214	58.8 Å²	58.8	81%	0.808	31%	0.306	S	S	*	.			trans	-106.7	127.6	162	-67	-172.1	-176.3	180	5.2	108.2
244	V	66.8	Low	81.4	Confident	21 Å²	21	60.1 Å²	60.1	13%	0.127	31%	0.312	C	S	.	.			trans	-76.2	133.3	175.9	161.2	0	0	0	0	109.1	L237 Y246 T247 H440	L237-V244 HydrophobicContact CD2-CG2 3.96Å; V244-Y246 WeakPolarHBondContact CG1-O 3.49Å; V244-T247 HydrophobicContact CG1-CG2 4.2Å; V244-H440 WeakPolarHBondContact CG1-CE1 3.32Å; V244-H440 VanDerWaalsContact CG1-ND1 3.34Å; V244-H440 WeakPolarHBondContact CG1-ND1 3.36Å; V244-H440 WeakPolarHBondContact CG1-NE2 3.24Å; V244-H440 WeakPolarHBondContact CG2-CD2 3.18Å; V244-H440 VanDerWaalsContact CG2-NE2 3.31Å; V244-H440 WeakPolarHBondContact CG2-NE2 3.47Å
245	P	60.8	Low	81.5	Confident	80 Å²	80	60.2 Å²	60.2	52%	0.519	31%	0.312	S	S	.	.	S	Bend	trans	-71.3	-28.7	-179.4	25.8	-32.5	0	0	0	113.7
246	Y	71.3	Confident	81.3	Confident	121 Å²	121	58.5 Å²	58.5	48%	0.475	30%	0.304	S	S	.	.	S	Bend	trans	-136.2	123.4	-177.4	-61.8	-73.1	0	0	0	112.1	V244 H440	V244-Y246 WeakPolarHBondContact CG1-O 3.49Å; Y246-H440 PolarHBondContact O-CE1 2.65Å; Y246-H440 PolarHBondContact O-ND1 3.15Å
247	T	76	Confident	81.1	Confident	13 Å²	13	57.7 Å²	57.7	8%	0.08	30%	0.299	C	S	.	.			trans	-114.2	160.9	-176.1	70.4	0	0	0	0	112.1	V244 E249 D250 L251 N438 R439	V244-T247 HydrophobicContact CG1-CG2 4.2Å; T247-E249 PolarHBondContact O-N 3.45Å; T247-D250 WeakPolarHBondContact CB-OD2 3.32Å; T247-D250 PolarHBondContact N-OD2 2.79Å; T247-D250 WeakPolarHBondContact O-CA 3.1Å; T247-D250 WeakPolarHBondContact O-CB 2.96Å; T247-D250 PolarHBondContact O-N 3.44Å; T247-D250 PolarHBondContact OG1-N 3.13Å; T247-D250 PolarHBondContact OG1-OD2 3.02Å; T247-L251 PolarHBondContact O-N 3.19Å; T247-N438 VanDerWaalsContact CG2-C 3.44Å; T247-N438 HydrophobicContact CG2-CB 4.06Å; T247-N438 WeakPolarHBondContact CG2-O 3.41Å; T247-R439 CarbonylContact C-O 3.45Å; T247-R439 WeakPolarHBondContact CA-O 3.37Å; T247-R439 WeakPolarHBondContact CB-O 3.25Å
248	T	79.4	Confident	80.8	Confident	16 Å²	16	55.6 Å²	55.6	10%	0.098	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-30.5	171.2	-56.2	0	0	0	0	111.5	V60 L251 I252 R439 H440	V60-T248 HydrophobicContact CG1-CG2 3.76Å; T248-L251 WeakPolarHBondContact O-CB 2.82Å; T248-L251 PolarHBondContact O-N 3.37Å; T248-I252 HydrophobicContact CG2-CD1 4.1Å; T248-I252 WeakPolarHBondContact O-CB 3.35Å; T248-I252 VanDerWaalsContact O-CG1 3.25Å; T248-I252 WeakPolarHBondContact O-CG1 3.24Å; T248-I252 PolarHBondContact O-N 3.08Å; T248-R439 PolarHBondContact N-O 3.27Å; T248-R439 PolarHBondContact OG1-O 2.82Å; T248-H440 PolarHBondContact OG1-O 3.26Å
249	E	81.9	Confident	80.3	Confident	65 Å²	65	54.5 Å²	54.5	30%	0.304	29%	0.289	S	S	.	.	H	α-helix	trans	-68.5	-36.5	173	-68.7	-62.6	151.5	0	0	112.1	R64 T247 R253 N438	R64-E249 IonicContact CZ-OE1 2.93Å; R64-E249 IonicContact CZ-OE2 3.82Å; R64-E249 IonicContact NH1-OE1 3.1Å; R64-E249 PolarHBondContact NH1-OE1 3.49Å; R64-E249 IonicContact NH1-OE2 3.34Å; R64-E249 VanDerWaalsContact NH2-CD 3.25Å; R64-E249 IonicContact NH2-OE1 2.81Å; R64-E249 PolarHBondContact NH2-OE1 2.9Å; R64-E249 IonicContact NH2-OE2 3.76Å; R64-E249 PolarHBondContact NH2-OE2 3.23Å; T247-E249 PolarHBondContact O-N 3.45Å; E249-R253 VanDerWaalsContact O-CB 3.23Å; E249-R253 WeakPolarHBondContact O-CB 3.04Å; E249-R253 PolarHBondContact O-N 3.27Å; E249-N438 HydrophobicContact CB-CB 4.44Å; E249-N438 HydrophobicContact CG-CB 4.27Å
250	D	82.9	Confident	79.5	Confident	49 Å²	49	53.4 Å²	53.4	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-66.1	-44.4	173.1	-56.3	-51.3	0	0	0	110.1	T247 R253 H254	T247-D250 WeakPolarHBondContact CB-OD2 3.32Å; T247-D250 PolarHBondContact N-OD2 2.79Å; T247-D250 WeakPolarHBondContact O-CA 3.1Å; T247-D250 WeakPolarHBondContact O-CB 2.96Å; T247-D250 PolarHBondContact O-N 3.44Å; T247-D250 PolarHBondContact OG1-N 3.13Å; T247-D250 PolarHBondContact OG1-OD2 3.02Å; D250-R253 WeakPolarHBondContact O-CB 3.36Å; D250-R253 PolarHBondContact O-N 2.95Å; D250-H254 PolarHBondContact O-CD2 3.4Å; D250-H254 PolarHBondContact O-N 3.4Å
251	L	86.5	Confident	79	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-56	-52.2	173.9	172.8	69.7	0	0	0	112.1	I58 V60 T247 T248 R253 H254 Y255 V264 F265 D268 F441	I58-L251 HydrophobicContact CB-CD2 4.47Å; I58-L251 HydrophobicContact CD1-CD2 4.43Å; I58-L251 HydrophobicContact CD1-CG 4.09Å; I58-L251 HydrophobicContact CG2-CD1 4.08Å; V60-L251 HydrophobicContact CG1-CD2 3.95Å; T247-L251 PolarHBondContact O-N 3.19Å; T248-L251 WeakPolarHBondContact O-CB 2.82Å; T248-L251 PolarHBondContact O-N 3.37Å; L251-R253 VanDerWaalsContact C-N 3.27Å; L251-R253 PolarHBondContact O-N 2.91Å; L251-H254 PolarHBondContact O-N 3.41Å; L251-Y255 WeakPolarHBondContact O-CB 3.43Å; L251-Y255 PolarHBondContact O-N 3.34Å; L251-V264 HydrophobicContact CB-CG1 4.14Å; L251-V264 HydrophobicContact CD1-CG1 3.71Å; L251-F265 HydrophobicContact CD1-CD1 3.66Å; L251-F265 HydrophobicContact CD1-CE1 3.66Å; L251-D268 HydrophobicContact CD1-CB 3.98Å; L251-D268 HydrophobicContact CD2-CB 3.95Å; L251-D268 VanDerWaalsContact CD2-OD1 3.24Å; L251-D268 WeakPolarHBondContact CD2-OD1 3.13Å; L251-F441 HydrophobicContact CD2-CD2 3.69Å; L251-F441 HydrophobicContact CD2-CE2 3.59Å
252	I	87.4	Confident	78.8	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-58.3	-42.7	177.3	-70.5	164.7	0	0	0	110.2	V60 R64 V65 T248 Y255 N256	V60-I252 HydrophobicContact CB-CD1 4.22Å; V60-I252 HydrophobicContact CB-CG1 4.1Å; V60-I252 HydrophobicContact CG1-CD1 4.31Å; V60-I252 HydrophobicContact CG1-CG1 3.97Å; V60-I252 HydrophobicContact CG2-CD1 4.44Å; V60-I252 HydrophobicContact CG2-CG1 3.97Å; R64-I252 HydrophobicContact CB-CD1 4.07Å; R64-I252 HydrophobicContact CB-CG2 4.34Å; R64-I252 HydrophobicContact CG-CD1 4.31Å; V65-I252 HydrophobicContact CG1-CG2 4.41Å; T248-I252 HydrophobicContact CG2-CD1 4.1Å; T248-I252 WeakPolarHBondContact O-CB 3.35Å; T248-I252 VanDerWaalsContact O-CG1 3.25Å; T248-I252 WeakPolarHBondContact O-CG1 3.24Å; T248-I252 PolarHBondContact O-N 3.08Å; I252-Y255 PolarHBondContact O-N 3.4Å; I252-N256 WeakPolarHBondContact CG2-ND2 3.41Å; I252-N256 VanDerWaalsContact O-CB 3.28Å; I252-N256 WeakPolarHBondContact O-CB 3.46Å; I252-N256 VanDerWaalsContact O-CG 3.25Å; I252-N256 PolarHBondContact O-N 2.95Å
253	R	86.6	Confident	78.6	Confident	137 Å²	137	54.2 Å²	54.2	52%	0.517	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-48.5	177.9	-176.7	-177.2	-179.6	-169.1	-0.2	111.5	E249 D250 L251 Y255 N256 C257	E249-R253 VanDerWaalsContact O-CB 3.23Å; E249-R253 WeakPolarHBondContact O-CB 3.04Å; E249-R253 PolarHBondContact O-N 3.27Å; D250-R253 WeakPolarHBondContact O-CB 3.36Å; D250-R253 PolarHBondContact O-N 2.95Å; L251-R253 VanDerWaalsContact C-N 3.27Å; L251-R253 PolarHBondContact O-N 2.91Å; R253-Y255 VanDerWaalsContact C-N 3.33Å; R253-Y255 PolarHBondContact O-N 3.49Å; R253-N256 PolarHBondContact O-N 3.21Å; R253-C257 WeakPolarHBondContact O-CB 3.37Å; R253-C257 PolarHBondContact O-N 3Å; R253-C257 PolarHBondContact O-SG 3.07Å
254	H	85.9	Confident	79	Confident	45 Å²	45	44.8 Å²	44.8	21%	0.208	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-42.9	178.1	-76.7	-72.8	0	0	0	111.3	D250 L251 C257 G258 D259 F265	D250-H254 PolarHBondContact O-CD2 3.4Å; D250-H254 PolarHBondContact O-N 3.4Å; L251-H254 PolarHBondContact O-N 3.41Å; H254-C257 PolarHBondContact O-N 2.9Å; H254-G258 PolarHBondContact O-N 2.89Å; H254-G258 VanDerWaalsContact O-N 3.1Å; H254-D259 HydrophobicContact CB-CB 4.28Å; H254-D259 IonicContact CE1-OD2 3.83Å; H254-D259 PolarHBondContact CE1-OD2 3.02Å; H254-D259 IonicContact CG-OD2 2.64Å; H254-D259 IonicContact ND1-OD2 3.11Å; H254-D259 PolarHBondContact ND1-OD2 3.24Å; H254-D259 PolarHBondContact O-N 3.32Å; H254-F265 HydrophobicContact CB-CZ 4.05Å
255	Y	89.4	Confident	79.5	Confident	11 Å²	11	43.8 Å²	43.8	4%	0.043	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-52.6	177	-168.9	-95	0	0	0	112.3	F42 Y55 G56 I58 V65 I69 L251 I252 R253 C257 G258 F265	F42-Y255 HydrophobicContact CB-CE2 4.26Å; F42-Y255 HydrophobicContact CD1-CD2 4.4Å; F42-Y255 HydrophobicContact CD1-CE2 4.09Å; F42-Y255 AromaticContact CD2-CD2 3.8Å; F42-Y255 HydrophobicContact CD2-CD2 3.8Å; F42-Y255 AromaticContact CD2-CE2 3.54Å; F42-Y255 HydrophobicContact CD2-CE2 3.54Å; F42-Y255 HydrophobicContact CD2-CG 4.48Å; F42-Y255 HydrophobicContact CE1-CD2 4.16Å; F42-Y255 HydrophobicContact CE1-CE2 4.32Å; F42-Y255 AromaticContact CE2-CD2 3.55Å; F42-Y255 HydrophobicContact CE2-CD2 3.55Å; F42-Y255 AromaticContact CE2-CE2 3.83Å; F42-Y255 HydrophobicContact CE2-CE2 3.83Å; F42-Y255 HydrophobicContact CE2-CG 4.09Å; F42-Y255 HydrophobicContact CG-CD2 4.23Å; F42-Y255 AromaticContact CG-CE2 3.7Å; F42-Y255 HydrophobicContact CG-CE2 3.7Å; F42-Y255 AromaticContact CZ-CD2 3.75Å; F42-Y255 HydrophobicContact CZ-CD2 3.75Å; F42-Y255 HydrophobicContact CZ-CE2 4.21Å; Y55-Y255 PolarHBondContact OH-OH 3.43Å; G56-Y255 VanDerWaalsContact O-CE2 3.3Å; G56-Y255 WeakPolarHBondContact O-CE2 3.23Å; G56-Y255 PolarHBondContact O-OH 2.99Å; I58-Y255 HydrophobicContact CB-CD2 4.38Å; I58-Y255 HydrophobicContact CD1-CD1 3.96Å; I58-Y255 HydrophobicContact CD1-CD2 3.88Å; I58-Y255 HydrophobicContact CD1-CG 3.52Å; I58-Y255 HydrophobicContact CG1-CD1 4.17Å; I58-Y255 HydrophobicContact CG1-CD2 3.78Å; I58-Y255 HydrophobicContact CG1-CE1 4.39Å; I58-Y255 HydrophobicContact CG1-CE2 4.02Å; I58-Y255 HydrophobicContact CG1-CG 3.85Å; I58-Y255 HydrophobicContact CG2-CD2 3.67Å; I58-Y255 HydrophobicContact CG2-CE2 4Å; I58-Y255 HydrophobicContact CG2-CG 4.43Å; V65-Y255 HydrophobicContact CB-CD1 4.13Å; V65-Y255 HydrophobicContact CB-CE1 4.14Å; V65-Y255 HydrophobicContact CG1-CD1 3.95Å; V65-Y255 HydrophobicContact CG1-CE1 4.39Å; I69-Y255 HydrophobicContact CG1-CE1 4.45Å; L251-Y255 WeakPolarHBondContact O-CB 3.43Å; L251-Y255 PolarHBondContact O-N 3.34Å; I252-Y255 PolarHBondContact O-N 3.4Å; R253-Y255 VanDerWaalsContact C-N 3.33Å; R253-Y255 PolarHBondContact O-N 3.49Å; Y255-C257 PolarHBondContact O-N 3.22Å; Y255-G258 PolarHBondContact O-N 3.01Å; Y255-G258 VanDerWaalsContact O-N 3.08Å; Y255-F265 AromaticContact CD2-CE1 3.87Å; Y255-F265 HydrophobicContact CD2-CE1 3.87Å
256	N	88.6	Confident	80.3	Confident	19 Å²	19	41.3 Å²	41.3	10%	0.102	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-28	-179.3	-71.8	-7.5	0	0	0	112.7	R64 F68 I252 R253	R64-N256 PolarHBondContact O-ND2 3.22Å; F68-N256 HydrophobicContact CB-CB 3.97Å; F68-N256 HydrophobicContact CD1-CB 3.8Å; F68-N256 HydrophobicContact CD2-CB 4.2Å; F68-N256 VanDerWaalsContact CD2-ND2 3.28Å; F68-N256 WeakPolarHBondContact CD2-ND2 3.34Å; F68-N256 HydrophobicContact CE1-CB 4.35Å; F68-N256 WeakPolarHBondContact CE2-ND2 3.49Å; F68-N256 HydrophobicContact CG-CB 3.72Å; F68-N256 VanDerWaalsContact CG-CG 3.49Å; I252-N256 WeakPolarHBondContact CG2-ND2 3.41Å; I252-N256 VanDerWaalsContact O-CB 3.28Å; I252-N256 WeakPolarHBondContact O-CB 3.46Å; I252-N256 VanDerWaalsContact O-CG 3.25Å; I252-N256 PolarHBondContact O-N 2.95Å; R253-N256 PolarHBondContact O-N 3.21Å
257	C	83.2	Confident	80.6	Confident	13 Å²	13	37.4 Å²	37.4	9%	0.088	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1	176.4	-63.5	0	0	0	0	113.9	C30 L32 L39 R253 H254 Y255 D259	C30-C257 HydrophobicContact CB-CB 3.89Å; C30-C257 WeakPolarHBondContact CB-SG 3.38Å; C30-C257 WeakPolarHBondContact SG-CA 3.25Å; C30-C257 WeakPolarHBondContact SG-CB 3.49Å; C30-C257 CovalentContact SG-SG 2.04Å; C30-C257 PolarHBondContact SG-SG 3.06Å; L32-C257 HydrophobicContact CD1-CB 4.05Å; L32-C257 VanDerWaalsContact CD1-O 3.31Å; L32-C257 WeakPolarHBondContact CD1-O 3.42Å; L39-C257 WeakPolarHBondContact CD2-O 3.46Å; R253-C257 WeakPolarHBondContact O-CB 3.37Å; R253-C257 PolarHBondContact O-N 3Å; R253-C257 PolarHBondContact O-SG 3.07Å; H254-C257 PolarHBondContact O-N 2.9Å; Y255-C257 PolarHBondContact O-N 3.22Å; C257-D259 VanDerWaalsContact C-N 3.26Å; C257-D259 PolarHBondContact O-N 3.25Å
258	G	79.1	Confident	80.7	Confident	4 Å²	4	36.8 Å²	36.8	4%	0.041	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	29.7	179.9	0	0	0	0	0	113.8	N40 H254 Y255	N40-G258 VanDerWaalsContact CB-O 3.31Å; N40-G258 WeakPolarHBondContact CB-O 3.29Å; N40-G258 PolarHBondContact ND2-O 3.32Å; N40-G258 WeakPolarHBondContact O-CA 3.4Å; H254-G258 PolarHBondContact O-N 2.89Å; H254-G258 VanDerWaalsContact O-N 3.1Å; Y255-G258 PolarHBondContact O-N 3.01Å; Y255-G258 VanDerWaalsContact O-N 3.08Å
259	D	79.4	Confident	80.4	Confident	65 Å²	65	36.2 Å²	36.2	35%	0.348	18%	0.182	S	C	.	.			trans	-82.6	121.1	171.8	-177.9	3.7	0	0	0	108.9	H254 C257 N261 F265	H254-D259 HydrophobicContact CB-CB 4.28Å; H254-D259 IonicContact CE1-OD2 3.83Å; H254-D259 PolarHBondContact CE1-OD2 3.02Å; H254-D259 IonicContact CG-OD2 2.64Å; H254-D259 IonicContact ND1-OD2 3.11Å; H254-D259 PolarHBondContact ND1-OD2 3.24Å; H254-D259 PolarHBondContact O-N 3.32Å; C257-D259 VanDerWaalsContact C-N 3.26Å; C257-D259 PolarHBondContact O-N 3.25Å; D259-N261 VanDerWaalsContact C-N 3.28Å; D259-N261 PolarHBondContact O-N 3.27Å; D259-N261 PolarHBondContact OD1-N 2.87Å; D259-F265 WeakPolarHBondContact O-CE2 3.3Å; D259-F265 WeakPolarHBondContact O-CZ 3.48Å
260	L	71.1	Confident	79.8	Confident	54 Å²	54	33.8 Å²	33.8	28%	0.283	17%	0.172	S	C	.	.			trans	-91.5	38.5	-175.1	-60.8	-176.9	0	0	0	112.7	N40 F42 S262 L333	N40-L260 HydrophobicContact CB-CD1 3.95Å; N40-L260 HydrophobicContact CB-CD2 4Å; N40-L260 HydrophobicContact CB-CG 3.87Å; F42-L260 HydrophobicContact CD1-CD2 4.15Å; F42-L260 HydrophobicContact CE1-CD2 3.64Å; F42-L260 HydrophobicContact CE2-CD2 4.33Å; F42-L260 HydrophobicContact CZ-CD2 3.73Å; L260-S262 PolarHBondContact O-N 2.85Å; L260-L333 HydrophobicContact CB-CD1 4.45Å; L260-L333 HydrophobicContact CB-CD2 4.03Å; L260-L333 HydrophobicContact CD1-CD2 4.31Å; L260-L333 HydrophobicContact CD2-CD1 4.47Å; L260-L333 HydrophobicContact CD2-CD2 4.02Å; L260-L333 HydrophobicContact CG-CD2 4.34Å
261	N	76.8	Confident	79.4	Confident	54 Å²	54	31.6 Å²	31.6	29%	0.289	16%	0.16	S	C	.	.			trans	-67.6	99.1	179.1	-173.2	-13.3	0	0	0	111.8	D259 I263 V264 F265	D259-N261 VanDerWaalsContact C-N 3.28Å; D259-N261 PolarHBondContact O-N 3.27Å; D259-N261 PolarHBondContact OD1-N 2.87Å; N261-I263 PolarHBondContact O-N 3.33Å; N261-I263 VanDerWaalsContact O-N 3.08Å; N261-I263 PolarHBondContact OD1-N 2.87Å; N261-V264 HydrophobicContact CB-CG2 4.33Å; N261-V264 PolarHBondContact O-N 3.48Å; N261-V264 VanDerWaalsContact O-N 3.13Å; N261-F265 WeakPolarHBondContact O-CD2 3.46Å
262	S	76.3	Confident	79	Confident	39 Å²	39	31.7 Å²	31.7	27%	0.273	16%	0.161	S	C	.	.	H	α-helix	trans	-53.2	-31.7	-176.4	63.9	0	0	0	0	114.9	L260 V264 N266	L260-S262 PolarHBondContact O-N 2.85Å; S262-V264 VanDerWaalsContact C-N 3.34Å; S262-V264 PolarHBondContact O-N 2.93Å; S262-N266 WeakPolarHBondContact O-CB 3.16Å; S262-N266 PolarHBondContact O-N 3.39Å; S262-N266 PolarHBondContact O-ND2 3.4Å; S262-N266 PolarHBondContact O-OD1 3.45Å
263	I	73.4	Confident	78.5	Confident	108 Å²	108	31.9 Å²	31.9	55%	0.554	16%	0.162	S	C	*	.	H	α-helix	trans	-64.5	-42.7	-178	-62.5	173.7	0	0	0	110.5	N261 H267	N261-I263 PolarHBondContact O-N 3.33Å; N261-I263 VanDerWaalsContact O-N 3.08Å; N261-I263 PolarHBondContact OD1-N 2.87Å; I263-H267 PolarHBondContact O-N 3.46Å
264	V	76	Confident	78.1	Confident	15 Å²	15	28.6 Å²	28.6	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-68	-44	-176.5	179.8	0	0	0	0	110.4	L251 N261 S262 D268	L251-V264 HydrophobicContact CB-CG1 4.14Å; L251-V264 HydrophobicContact CD1-CG1 3.71Å; N261-V264 HydrophobicContact CB-CG2 4.33Å; N261-V264 PolarHBondContact O-N 3.48Å; N261-V264 VanDerWaalsContact O-N 3.13Å; S262-V264 VanDerWaalsContact C-N 3.34Å; S262-V264 PolarHBondContact O-N 2.93Å; V264-D268 PolarHBondContact O-N 3.2Å; V264-D268 VanDerWaalsContact O-N 3.16Å
265	F	76.8	Confident	77.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-78.6	-28.1	-179	-60	-70.9	0	0	0	113.9	F42 I58 L251 H254 Y255 D259 N261 H267 D268 T269 A329 L333	F42-F265 HydrophobicContact CE1-CD1 4.44Å; F42-F265 HydrophobicContact CE1-CD2 4.4Å; F42-F265 HydrophobicContact CE1-CE1 4.1Å; F42-F265 HydrophobicContact CE1-CE2 4.08Å; F42-F265 AromaticContact CE1-CZ 3.91Å; F42-F265 HydrophobicContact CE1-CZ 3.91Å; F42-F265 AromaticContact CZ-CE1 3.97Å; F42-F265 HydrophobicContact CZ-CE1 3.97Å; F42-F265 AromaticContact CZ-CE2 3.95Å; F42-F265 HydrophobicContact CZ-CE2 3.95Å; F42-F265 AromaticContact CZ-CZ 3.52Å; F42-F265 HydrophobicContact CZ-CZ 3.52Å; I58-F265 HydrophobicContact CG2-CD1 3.7Å; I58-F265 HydrophobicContact CG2-CE1 3.88Å; L251-F265 HydrophobicContact CD1-CD1 3.66Å; L251-F265 HydrophobicContact CD1-CE1 3.66Å; H254-F265 HydrophobicContact CB-CZ 4.05Å; Y255-F265 AromaticContact CD2-CE1 3.87Å; Y255-F265 HydrophobicContact CD2-CE1 3.87Å; D259-F265 WeakPolarHBondContact O-CE2 3.3Å; D259-F265 WeakPolarHBondContact O-CZ 3.48Å; N261-F265 WeakPolarHBondContact O-CD2 3.46Å; F265-H267 VanDerWaalsContact C-N 3.3Å; F265-D268 WeakPolarHBondContact O-CB 3.38Å; F265-D268 PolarHBondContact O-N 3.19Å; F265-T269 WeakPolarHBondContact O-CB 3.48Å; F265-T269 PolarHBondContact O-N 2.81Å; F265-T269 PolarHBondContact O-OG1 3.27Å; F265-A329 HydrophobicContact CB-CB 4.15Å; F265-A329 HydrophobicContact CD1-CB 3.83Å; F265-A329 HydrophobicContact CG-CB 4.08Å; F265-L333 HydrophobicContact CB-CD1 4.02Å; F265-L333 HydrophobicContact CD2-CD1 3.35Å; F265-L333 HydrophobicContact CE2-CD1 4.09Å; F265-L333 HydrophobicContact CG-CD1 3.87Å
266	N	78	Confident	76.6	Confident	29 Å²	29	29.8 Å²	29.8	16%	0.155	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-36.2	173.6	-72.8	-12.7	0	0	0	111.3	S262 D268 T269 S270 G330	S262-N266 WeakPolarHBondContact O-CB 3.16Å; S262-N266 PolarHBondContact O-N 3.39Å; S262-N266 PolarHBondContact O-ND2 3.4Å; S262-N266 PolarHBondContact O-OD1 3.45Å; N266-D268 VanDerWaalsContact C-N 3.31Å; N266-T269 PolarHBondContact O-N 2.75Å; N266-S270 WeakPolarHBondContact O-CB 3.28Å; N266-S270 PolarHBondContact O-N 3.37Å; N266-S270 PolarHBondContact O-OG 3.36Å; N266-G330 VanDerWaalsContact OD1-CA 3.28Å; N266-G330 WeakPolarHBondContact OD1-CA 3.37Å; N266-G330 PolarHBondContact OD1-O 2.95Å
267	H	77.7	Confident	75.4	Confident	38 Å²	38	32 Å²	32	18%	0.176	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-38.4	170.6	-165.3	68.4	0	0	0	111.3	I263 F265 S270 Q271 V272 N274 F441	I263-H267 PolarHBondContact O-N 3.46Å; F265-H267 VanDerWaalsContact C-N 3.3Å; H267-S270 PolarHBondContact O-OG 2.99Å; H267-Q271 PolarHBondContact O-N 3.48Å; H267-V272 PolarHBondContact CE1-O 3.43Å; H267-V272 PolarHBondContact ND1-O 2.92Å; H267-N274 PolarHBondContact CE1-N 3.42Å; H267-F441 WeakPolarHBondContact O-CD1 3.49Å; H267-F441 WeakPolarHBondContact O-CE1 3.36Å
268	D	77.7	Confident	74	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-47.7	173.9	173.6	101.7	0	0	0	111.8	H59 L251 V264 F265 N266 S270 Q271 F441	H59-D268 IonicContact CE1-OD2 3.94Å; H59-D268 IonicContact CG-OD2 2.7Å; H59-D268 PolarHBondContact N-OD1 3.44Å; H59-D268 IonicContact ND1-OD1 3.61Å; H59-D268 IonicContact ND1-OD2 3.67Å; H59-D268 PolarHBondContact ND1-OD2 2.61Å; L251-D268 HydrophobicContact CD1-CB 3.98Å; L251-D268 HydrophobicContact CD2-CB 3.95Å; L251-D268 VanDerWaalsContact CD2-OD1 3.24Å; L251-D268 WeakPolarHBondContact CD2-OD1 3.13Å; V264-D268 PolarHBondContact O-N 3.2Å; V264-D268 VanDerWaalsContact O-N 3.16Å; F265-D268 WeakPolarHBondContact O-CB 3.38Å; F265-D268 PolarHBondContact O-N 3.19Å; N266-D268 VanDerWaalsContact C-N 3.31Å; D268-S270 VanDerWaalsContact C-N 3.33Å; D268-S270 PolarHBondContact O-N 2.92Å; D268-Q271 PolarHBondContact O-N 3.26Å; D268-Q271 PolarHBondContact O-NE2 3.47Å; D268-F441 VanDerWaalsContact C-CE1 3.49Å; D268-F441 HydrophobicContact CB-CE1 4.11Å; D268-F441 HydrophobicContact CB-CE2 3.83Å; D268-F441 HydrophobicContact CB-CZ 3.56Å; D268-F441 WeakPolarHBondContact O-CE1 3.29Å; D268-F441 WeakPolarHBondContact O-CZ 3.26Å; D268-F441 WeakPolarHBondContact OD1-CE2 3.33Å; D268-F441 WeakPolarHBondContact OD1-CZ 3.46Å
269	T	74.2	Confident	73.6	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-69.4	-32.2	-174.9	-59.8	0	0	0	0	112.3	F265 N266 I300 G330 H331	F265-T269 WeakPolarHBondContact O-CB 3.48Å; F265-T269 PolarHBondContact O-N 2.81Å; F265-T269 PolarHBondContact O-OG1 3.27Å; N266-T269 PolarHBondContact O-N 2.75Å; T269-I300 HydrophobicContact CG2-CD1 3.66Å; T269-G330 WeakPolarHBondContact OG1-CA 3.35Å; T269-G330 PolarHBondContact OG1-N 3.23Å; T269-H331 VanDerWaalsContact CG2-CD2 3.41Å; T269-H331 WeakPolarHBondContact CG2-CD2 3.39Å; T269-H331 VanDerWaalsContact CG2-CE1 3.46Å; T269-H331 WeakPolarHBondContact CG2-CE1 3.36Å; T269-H331 WeakPolarHBondContact CG2-NE2 3.38Å
270	S	69.3	Low	73.6	Confident	14 Å²	14	42.2 Å²	42.2	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-81.7	-23.7	-179.8	68.9	0	0	0	0	114	N266 H267 D268 V272 L299	N266-S270 WeakPolarHBondContact O-CB 3.28Å; N266-S270 PolarHBondContact O-N 3.37Å; N266-S270 PolarHBondContact O-OG 3.36Å; H267-S270 PolarHBondContact O-OG 2.99Å; D268-S270 VanDerWaalsContact C-N 3.33Å; D268-S270 PolarHBondContact O-N 2.92Å; S270-V272 PolarHBondContact O-N 3.44Å; S270-V272 WeakPolarHBondContact OG-CG2 3.49Å; S270-L299 WeakPolarHBondContact O-CD1 3.47Å
271	Q	74.3	Confident	74.3	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.019	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	36.2	179.9	-53.8	-78	-33.9	0	0	113.3	H59 L169 H267 D268 F441 N442 D443	H59-Q271 VanDerWaalsContact CB-NE2 3.29Å; H59-Q271 PolarHBondContact CE1-NE2 3.44Å; H59-Q271 PolarHBondContact ND1-NE2 3.49Å; L169-Q271 VanDerWaalsContact CD2-O 3.24Å; L169-Q271 WeakPolarHBondContact CD2-O 3.36Å; H267-Q271 PolarHBondContact O-N 3.48Å; D268-Q271 PolarHBondContact O-N 3.26Å; D268-Q271 PolarHBondContact O-NE2 3.47Å; Q271-F441 HydrophobicContact CB-CE1 4.47Å; Q271-F441 HydrophobicContact CG-CE1 4.22Å; Q271-N442 WeakPolarHBondContact CA-OD1 3.24Å; Q271-N442 PolarHBondContact O-OD1 3.42Å; Q271-D443 VanDerWaalsContact OE1-N 3.14Å
272	V	78.6	Confident	74.7	Confident	7 Å²	7	45 Å²	45	4%	0.042	26%	0.262	C	S	.	.			trans	-128.5	141.1	178.1	-67.8	0	0	0	0	111	L169 L215 H267 S270 F295 L299 N442	L169-V272 HydrophobicContact CD2-CG1 4.34Å; L215-V272 HydrophobicContact CD2-CG1 3.93Å; H267-V272 PolarHBondContact CE1-O 3.43Å; H267-V272 PolarHBondContact ND1-O 2.92Å; S270-V272 PolarHBondContact O-N 3.44Å; S270-V272 WeakPolarHBondContact OG-CG2 3.49Å; V272-F295 HydrophobicContact CB-CD2 3.92Å; V272-F295 HydrophobicContact CB-CE2 3.97Å; V272-F295 HydrophobicContact CB-CG 4.44Å; V272-F295 HydrophobicContact CG1-CD1 4.18Å; V272-F295 HydrophobicContact CG1-CD2 3.86Å; V272-F295 HydrophobicContact CG1-CE1 4.07Å; V272-F295 HydrophobicContact CG1-CE2 3.69Å; V272-F295 HydrophobicContact CG1-CG 4.09Å; V272-F295 HydrophobicContact CG1-CZ 3.8Å; V272-F295 HydrophobicContact CG2-CB 4.05Å; V272-F295 HydrophobicContact CG2-CD2 3.68Å; V272-F295 HydrophobicContact CG2-CE2 4.26Å; V272-F295 HydrophobicContact CG2-CG 3.95Å; V272-L299 HydrophobicContact CG1-CD1 4.24Å; V272-N442 PolarHBondContact N-OD1 3.43Å
273	P	77.2	Confident	75	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.058	28%	0.277	C	S	.	.			trans	-62.8	149.4	177.2	-17.8	30.1	0	0	0	112.5	M168 N172 F275	M168-P273 HydrophobicContact CE-CG 4.46Å; N172-P273 HydrophobicContact CB-CG 4.24Å; P273-F275 HydrophobicContact CB-CE1 4Å; P273-F275 HydrophobicContact CB-CE2 4.5Å; P273-F275 HydrophobicContact CB-CZ 3.85Å; P273-F275 HydrophobicContact CG-CZ 4.16Å; P273-F275 WeakPolarHBondContact O-CE2 3.24Å
274	N	76.9	Confident	75.7	Confident	68 Å²	68	44.7 Å²	44.7	36%	0.364	26%	0.263	S	S	.	.			trans	-95.4	120.9	174.7	-173.7	-19.8	0	0	0	109.5	H267 N276	H267-N274 PolarHBondContact CE1-N 3.42Å; N274-N276 VanDerWaalsContact OD1-CB 3.31Å; N274-N276 WeakPolarHBondContact OD1-CB 3.17Å; N274-N276 PolarHBondContact OD1-N 3.31Å
275	F	79.4	Confident	76.3	Confident	14 Å²	14	48 Å²	48	6%	0.061	28%	0.277	C	S	.	.			trans	-96.2	-1.3	-176.7	-56.1	-68	0	0	0	113.9	M168 F225 A226 Q229 P273 N277 L280 A288 I291	M168-F275 HydrophobicContact SD-CZ 3.87Å; F225-F275 HydrophobicContact CE1-CB 4.3Å; F225-F275 HydrophobicContact CE1-CG 4.42Å; A226-F275 HydrophobicContact CB-CE1 4.24Å; A226-F275 HydrophobicContact CB-CE2 3.87Å; A226-F275 HydrophobicContact CB-CZ 3.58Å; Q229-F275 HydrophobicContact CB-CD1 3.78Å; Q229-F275 HydrophobicContact CB-CE1 4.04Å; Q229-F275 HydrophobicContact CG-CD1 4.42Å; P273-F275 HydrophobicContact CB-CE1 4Å; P273-F275 HydrophobicContact CB-CE2 4.5Å; P273-F275 HydrophobicContact CB-CZ 3.85Å; P273-F275 HydrophobicContact CG-CZ 4.16Å; P273-F275 WeakPolarHBondContact O-CE2 3.24Å; F275-N277 PolarHBondContact O-N 3.27Å; F275-L280 VanDerWaalsContact O-CD1 3.24Å; F275-L280 WeakPolarHBondContact O-CD1 3.46Å; F275-A288 HydrophobicContact CB-CB 3.72Å; F275-I291 HydrophobicContact CD2-CG2 4.19Å; F275-I291 HydrophobicContact CE2-CG2 4.11Å
276	N	65.8	Low	76.9	Confident	68 Å²	68	51.4 Å²	51.4	36%	0.364	30%	0.298	S	S	.	.			trans	-75.5	52.5	-178.5	-66.1	-35	0	0	0	112.5	N274	N274-N276 VanDerWaalsContact OD1-CB 3.31Å; N274-N276 WeakPolarHBondContact OD1-CB 3.17Å; N274-N276 PolarHBondContact OD1-N 3.31Å
277	N	61.7	Low	77.5	Confident	64 Å²	64	51.7 Å²	51.7	34%	0.342	30%	0.301	S	S	.	.			trans	-82.7	141.6	171.3	-84.2	-28.8	0	0	0	110.9	F275 T279	F275-N277 PolarHBondContact O-N 3.27Å; N277-T279 PolarHBondContact O-N 3.33Å
278	V	53.9	Low	78.1	Confident	145 Å²	145	50 Å²	50	88%	0.879	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	25.6	-169	-163.7	0	0	0	0	113.8
279	T	71.8	Confident	78.6	Confident	133 Å²	133	55.1 Å²	55.1	82%	0.816	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	8	-176.6	5.6	0	0	0	0	114.8	N277	N277-T279 PolarHBondContact O-N 3.33Å
280	L	79.6	Confident	79.4	Confident	20 Å²	20	59.6 Å²	59.6	11%	0.105	34%	0.338	C	S	.	.			trans	-75.6	145.4	177.6	-64.7	177.9	0	0	0	111.8	F225 F275 E284 Q285 A288	F225-L280 HydrophobicContact CZ-CD1 4.07Å; F275-L280 VanDerWaalsContact O-CD1 3.24Å; F275-L280 WeakPolarHBondContact O-CD1 3.46Å; L280-E284 HydrophobicContact CB-CB 3.99Å; L280-E284 HydrophobicContact CD1-CB 4.46Å; L280-E284 HydrophobicContact CD2-CB 4.38Å; L280-E284 WeakPolarHBondContact CD2-OE2 3.38Å; L280-Q285 HydrophobicContact CB-CG 3.7Å; L280-Q285 PolarHBondContact O-NE2 3.13Å; L280-A288 HydrophobicContact CD1-CB 4.07Å
281	P	84.8	Confident	80.5	Confident	62 Å²	62	59 Å²	59	40%	0.403	33%	0.334	S	S	.	.			trans	-55.8	154.9	164.8	-23	32.5	0	0	0	112	S283 E284 Q285	P281-S283 VanDerWaalsContact C-N 3.3Å; P281-S283 PolarHBondContact O-N 3.03Å; P281-E284 HydrophobicContact CG-CG 4.49Å; P281-E284 PolarHBondContact O-N 3.21Å; P281-Q285 PolarHBondContact O-N 3.32Å
282	P	84.9	Confident	81.2	Confident	104 Å²	104	62 Å²	62	68%	0.675	35%	0.35	S	S	*	.	H	α-helix	trans	-53.5	-40.5	-176.7	-28.8	35.6	0	0	0	114.9	E284 Q285 V286	P282-E284 VanDerWaalsContact C-N 3.34Å; P282-E284 PolarHBondContact O-N 3.4Å; P282-Q285 PolarHBondContact O-N 2.59Å; P282-V286 WeakPolarHBondContact O-CG2 3.41Å; P282-V286 PolarHBondContact O-N 3.45Å
283	S	84.2	Confident	81.8	Confident	84 Å²	84	64.4 Å²	64.4	59%	0.587	37%	0.371	S	S	*	.	H	α-helix	trans	-66	-35.7	177.9	52.4	0	0	0	0	113.1	P281 T287	P281-S283 VanDerWaalsContact C-N 3.3Å; P281-S283 PolarHBondContact O-N 3.03Å; S283-T287 PolarHBondContact O-N 2.77Å; S283-T287 PolarHBondContact O-OG1 3.09Å
284	E	88.1	Confident	82.5	Confident	57 Å²	57	66.7 Å²	66.7	27%	0.266	38%	0.378	S	S	.	.	H	α-helix	trans	-75	-32.5	177.4	-73.8	-172.6	-161	0	0	111.8	F225 Q229 L280 P281 P282 T287 A288	F225-E284 HydrophobicContact CD2-CG 4.17Å; F225-E284 HydrophobicContact CE2-CB 3.63Å; F225-E284 HydrophobicContact CE2-CG 3.68Å; F225-E284 HydrophobicContact CZ-CB 4.2Å; Q229-E284 PolarHBondContact NE2-OE2 3.32Å; Q229-E284 VanDerWaalsContact NE2-OE2 3.12Å; L280-E284 HydrophobicContact CB-CB 3.99Å; L280-E284 HydrophobicContact CD1-CB 4.46Å; L280-E284 HydrophobicContact CD2-CB 4.38Å; L280-E284 WeakPolarHBondContact CD2-OE2 3.38Å; P281-E284 HydrophobicContact CG-CG 4.49Å; P281-E284 PolarHBondContact O-N 3.21Å; P282-E284 VanDerWaalsContact C-N 3.34Å; P282-E284 PolarHBondContact O-N 3.4Å; E284-T287 PolarHBondContact O-N 2.97Å; E284-A288 WeakPolarHBondContact O-CB 3.11Å; E284-A288 PolarHBondContact O-N 3.15Å
285	Q	87.3	Confident	83.2	Confident	84 Å²	84	63.7 Å²	63.7	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-62.3	-43.6	172.3	-67.9	179.4	21.1	0	0	111.7	L280 P281 P282 T287 A288 Q289	L280-Q285 HydrophobicContact CB-CG 3.7Å; L280-Q285 PolarHBondContact O-NE2 3.13Å; P281-Q285 PolarHBondContact O-N 3.32Å; P282-Q285 PolarHBondContact O-N 2.59Å; Q285-T287 VanDerWaalsContact C-N 3.34Å; Q285-T287 PolarHBondContact O-N 2.97Å; Q285-A288 PolarHBondContact O-N 2.95Å; Q285-Q289 WeakPolarHBondContact O-CB 3.33Å; Q285-Q289 VanDerWaalsContact O-CG 3.28Å; Q285-Q289 WeakPolarHBondContact O-CG 3.29Å; Q285-Q289 PolarHBondContact O-N 2.77Å
286	V	89.2	Confident	83.7	Confident	71 Å²	71	68.5 Å²	68.5	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-46.5	175.6	174.8	0	0	0	0	110.2	P282 A288 Q289 E290	P282-V286 WeakPolarHBondContact O-CG2 3.41Å; P282-V286 PolarHBondContact O-N 3.45Å; V286-A288 VanDerWaalsContact C-N 3.34Å; V286-A288 PolarHBondContact O-N 3.47Å; V286-Q289 PolarHBondContact O-N 2.89Å; V286-E290 HydrophobicContact CG1-CG 4.39Å; V286-E290 WeakPolarHBondContact O-CG 3.34Å; V286-E290 PolarHBondContact O-N 3.26Å
287	T	91.1	Very high	85	Confident	36 Å²	36	69.2 Å²	69.2	22%	0.221	38%	0.381	C	S	.	.	H	α-helix	trans	-60.6	-42.9	178.3	-52.9	0	0	0	0	111.7	Q222 F225 S283 E284 Q285 E290 I291	Q222-T287 HydrophobicContact CG-CG2 4.05Å; F225-T287 HydrophobicContact CB-CG2 4.15Å; F225-T287 HydrophobicContact CD1-CG2 3.69Å; F225-T287 HydrophobicContact CD2-CG2 4.47Å; F225-T287 HydrophobicContact CE1-CG2 4.2Å; F225-T287 HydrophobicContact CG-CG2 3.83Å; S283-T287 PolarHBondContact O-N 2.77Å; S283-T287 PolarHBondContact O-OG1 3.09Å; E284-T287 PolarHBondContact O-N 2.97Å; Q285-T287 VanDerWaalsContact C-N 3.34Å; Q285-T287 PolarHBondContact O-N 2.97Å; T287-E290 PolarHBondContact O-N 3.41Å; T287-I291 HydrophobicContact CG2-CD1 4.14Å; T287-I291 VanDerWaalsContact O-CG1 3.3Å; T287-I291 WeakPolarHBondContact O-CG1 3.43Å; T287-I291 PolarHBondContact O-N 2.91Å; T287-I291 VanDerWaalsContact O-N 3.07Å
288	A	89.5	Confident	86.5	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.008	37%	0.373	C	S	.	.	H	α-helix	trans	-61.7	-43.5	176.1	0	0	0	0	0	112.4	F225 F275 L280 E284 Q285 V286 I291 D292	F225-A288 HydrophobicContact CE1-CB 4.06Å; F225-A288 HydrophobicContact CZ-CB 4.15Å; F275-A288 HydrophobicContact CB-CB 3.72Å; L280-A288 HydrophobicContact CD1-CB 4.07Å; E284-A288 WeakPolarHBondContact O-CB 3.11Å; E284-A288 PolarHBondContact O-N 3.15Å; Q285-A288 PolarHBondContact O-N 2.95Å; V286-A288 VanDerWaalsContact C-N 3.34Å; V286-A288 PolarHBondContact O-N 3.47Å; A288-I291 PolarHBondContact O-N 3.37Å; A288-D292 WeakPolarHBondContact O-CB 3.34Å; A288-D292 PolarHBondContact O-N 3.43Å
289	Q	89.1	Confident	88.3	Confident	110 Å²	110	61.4 Å²	61.4	51%	0.514	33%	0.333	S	S	.	.	H	α-helix	trans	-66.1	-39.3	177.5	-72.5	172.1	1.4	0	0	112.3	Q285 V286 D292 A293	Q285-Q289 WeakPolarHBondContact O-CB 3.33Å; Q285-Q289 VanDerWaalsContact O-CG 3.28Å; Q285-Q289 WeakPolarHBondContact O-CG 3.29Å; Q285-Q289 PolarHBondContact O-N 2.77Å; V286-Q289 PolarHBondContact O-N 2.89Å; Q289-D292 PolarHBondContact O-N 2.98Å; Q289-A293 VanDerWaalsContact O-CB 3.26Å; Q289-A293 WeakPolarHBondContact O-CB 3.34Å; Q289-A293 PolarHBondContact O-N 3.2Å
290	E	91.9	Very high	89.2	Confident	97 Å²	97	55.4 Å²	55.4	45%	0.453	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-43	175.3	-74.2	175	177.6	0	0	111.8	V286 T287 Y294	V286-E290 HydrophobicContact CG1-CG 4.39Å; V286-E290 WeakPolarHBondContact O-CG 3.34Å; V286-E290 PolarHBondContact O-N 3.26Å; T287-E290 PolarHBondContact O-N 3.41Å; E290-Y294 VanDerWaalsContact O-CB 3.25Å; E290-Y294 WeakPolarHBondContact O-CB 3.22Å; E290-Y294 PolarHBondContact O-N 3.42Å
291	I	91.3	Very high	89.8	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-46.7	176.6	-68.5	167.6	0	0	0	110.6	L218 Q222 F225 A226 F275 T287 A288 Y294 F295	L218-I291 HydrophobicContact CD2-CG1 4.32Å; L218-I291 HydrophobicContact CD2-CG2 4.47Å; Q222-I291 HydrophobicContact CB-CD1 3.79Å; Q222-I291 HydrophobicContact CB-CG1 3.85Å; Q222-I291 HydrophobicContact CG-CD1 4Å; Q222-I291 HydrophobicContact CG-CG1 3.74Å; F225-I291 HydrophobicContact CD1-CD1 3.7Å; F225-I291 HydrophobicContact CE1-CD1 4.19Å; A226-I291 HydrophobicContact CB-CD1 4.37Å; F275-I291 HydrophobicContact CD2-CG2 4.19Å; F275-I291 HydrophobicContact CE2-CG2 4.11Å; T287-I291 HydrophobicContact CG2-CD1 4.14Å; T287-I291 VanDerWaalsContact O-CG1 3.3Å; T287-I291 WeakPolarHBondContact O-CG1 3.43Å; T287-I291 PolarHBondContact O-N 2.91Å; T287-I291 VanDerWaalsContact O-N 3.07Å; A288-I291 PolarHBondContact O-N 3.37Å; I291-Y294 PolarHBondContact O-N 3.21Å; I291-F295 HydrophobicContact CG2-CD2 3.61Å; I291-F295 HydrophobicContact CG2-CE2 3.5Å; I291-F295 WeakPolarHBondContact O-CD2 3.49Å; I291-F295 PolarHBondContact O-N 2.91Å
292	D	88.5	Confident	90.3	Very high	66 Å²	66	58 Å²	58	35%	0.353	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-46.8	178.2	-176.4	72	0	0	0	111.5	A288 Q289 Y294 F295 R296	A288-D292 WeakPolarHBondContact O-CB 3.34Å; A288-D292 PolarHBondContact O-N 3.43Å; Q289-D292 PolarHBondContact O-N 2.98Å; D292-Y294 PolarHBondContact O-N 3.06Å; D292-F295 PolarHBondContact O-N 3.47Å; D292-R296 VanDerWaalsContact O-CB 3.26Å; D292-R296 WeakPolarHBondContact O-CB 3.39Å; D292-R296 PolarHBondContact O-N 3Å
293	A	90.8	Very high	90.8	Very high	58 Å²	58	53.3 Å²	53.3	48%	0.479	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-42.5	177.3	0	0	0	0	0	112.1	Q289 R296 Q297	Q289-A293 VanDerWaalsContact O-CB 3.26Å; Q289-A293 WeakPolarHBondContact O-CB 3.34Å; Q289-A293 PolarHBondContact O-N 3.2Å; A293-R296 PolarHBondContact O-N 3.01Å; A293-Q297 WeakPolarHBondContact O-CB 3.28Å; A293-Q297 PolarHBondContact O-N 2.83Å
294	Y	93.2	Very high	91.4	Very high	57 Å²	57	49.4 Å²	49.4	22%	0.224	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-51.5	176.4	169.3	-96.4	0	0	0	111.6	P214 G217 L218 E290 I291 D292 R296 Q297 E298	P214-Y294 WeakPolarHBondContact O-CE1 3.33Å; P214-Y294 PolarHBondContact O-OH 3.27Å; G217-Y294 WeakPolarHBondContact CA-OH 3.18Å; L218-Y294 HydrophobicContact CD2-CD1 3.44Å; L218-Y294 VanDerWaalsContact CD2-CD1 3.44Å; L218-Y294 HydrophobicContact CD2-CE1 3.68Å; L218-Y294 HydrophobicContact CD2-CG 4.19Å; L218-Y294 HydrophobicContact CG-CD1 4.24Å; L218-Y294 HydrophobicContact CG-CE1 4.02Å; E290-Y294 VanDerWaalsContact O-CB 3.25Å; E290-Y294 WeakPolarHBondContact O-CB 3.22Å; E290-Y294 PolarHBondContact O-N 3.42Å; I291-Y294 PolarHBondContact O-N 3.21Å; D292-Y294 PolarHBondContact O-N 3.06Å; Y294-R296 VanDerWaalsContact C-N 3.34Å; Y294-R296 PolarHBondContact O-N 3.42Å; Y294-Q297 PolarHBondContact O-N 2.88Å; Y294-Q297 VanDerWaalsContact O-N 3.16Å; Y294-E298 HydrophobicContact CD2-CG 4.06Å; Y294-E298 HydrophobicContact CE1-CG 4.29Å; Y294-E298 HydrophobicContact CE2-CG 3.61Å; Y294-E298 PolarHBondContact O-N 3.29Å
295	F	91.3	Very high	91.9	Very high	5 Å²	5	51.1 Å²	51.1	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-38.5	179.6	-76.6	-45.3	0	0	0	112.3	L215 L218 V272 I291 D292 Q297 E298 L299	L215-F295 HydrophobicContact CD2-CE1 3.84Å; L215-F295 HydrophobicContact CD2-CZ 4.11Å; L218-F295 HydrophobicContact CD1-CE1 4.25Å; L218-F295 HydrophobicContact CD1-CE2 3.88Å; L218-F295 HydrophobicContact CD1-CZ 3.41Å; L218-F295 VanDerWaalsContact CD1-CZ 3.41Å; L218-F295 HydrophobicContact CD2-CZ 4.3Å; L218-F295 HydrophobicContact CG-CE1 4.27Å; L218-F295 HydrophobicContact CG-CZ 3.89Å; V272-F295 HydrophobicContact CB-CD2 3.92Å; V272-F295 HydrophobicContact CB-CE2 3.97Å; V272-F295 HydrophobicContact CB-CG 4.44Å; V272-F295 HydrophobicContact CG1-CD1 4.18Å; V272-F295 HydrophobicContact CG1-CD2 3.86Å; V272-F295 HydrophobicContact CG1-CE1 4.07Å; V272-F295 HydrophobicContact CG1-CE2 3.69Å; V272-F295 HydrophobicContact CG1-CG 4.09Å; V272-F295 HydrophobicContact CG1-CZ 3.8Å; V272-F295 HydrophobicContact CG2-CB 4.05Å; V272-F295 HydrophobicContact CG2-CD2 3.68Å; V272-F295 HydrophobicContact CG2-CE2 4.26Å; V272-F295 HydrophobicContact CG2-CG 3.95Å; I291-F295 HydrophobicContact CG2-CD2 3.61Å; I291-F295 HydrophobicContact CG2-CE2 3.5Å; I291-F295 WeakPolarHBondContact O-CD2 3.49Å; I291-F295 PolarHBondContact O-N 2.91Å; D292-F295 PolarHBondContact O-N 3.47Å; F295-Q297 VanDerWaalsContact C-N 3.3Å; F295-Q297 PolarHBondContact O-N 3.03Å; F295-E298 PolarHBondContact O-N 3.23Å; F295-L299 HydrophobicContact CB-CD1 4.19Å; F295-L299 HydrophobicContact CD1-CD1 3.7Å; F295-L299 HydrophobicContact CD1-CG 4.36Å; F295-L299 HydrophobicContact CE1-CD1 4.43Å; F295-L299 HydrophobicContact CG-CD1 4.21Å; F295-L299 WeakPolarHBondContact O-CA 3.5Å; F295-L299 VanDerWaalsContact O-CB 3.23Å; F295-L299 WeakPolarHBondContact O-CB 3.49Å; F295-L299 PolarHBondContact O-N 2.95Å
296	R	89.4	Confident	92.4	Very high	114 Å²	114	50.2 Å²	50.2	43%	0.43	24%	0.241	S	C	.	.	I	π-helix	trans	-61.2	-40.3	174	-170.9	168.1	-174	-100.3	-0.8	111.9	D292 A293 Y294 I300 Y301	D292-R296 VanDerWaalsContact O-CB 3.26Å; D292-R296 WeakPolarHBondContact O-CB 3.39Å; D292-R296 PolarHBondContact O-N 3Å; A293-R296 PolarHBondContact O-N 3.01Å; Y294-R296 VanDerWaalsContact C-N 3.34Å; Y294-R296 PolarHBondContact O-N 3.42Å; R296-I300 WeakPolarHBondContact O-CB 3.28Å; R296-I300 PolarHBondContact O-N 2.04Å; R296-Y301 HydrophobicContact CG-CE2 4.2Å; R296-Y301 PolarHBondContact NH1-OH 2.91Å; R296-Y301 PolarHBondContact NH2-OH 3.26Å; R296-Y301 PolarHBondContact O-N 3.34Å; R296-Y301 VanDerWaalsContact O-N 3.14Å
297	Q	92.6	Very high	92.8	Very high	84 Å²	84	46.9 Å²	46.9	39%	0.393	22%	0.221	S	C	.	.	I	π-helix	trans	-67	-47.6	176.7	-176.6	62	34.1	0	0	112.4	A293 Y294 F295 Y301 K302	A293-Q297 WeakPolarHBondContact O-CB 3.28Å; A293-Q297 PolarHBondContact O-N 2.83Å; Y294-Q297 PolarHBondContact O-N 2.88Å; Y294-Q297 VanDerWaalsContact O-N 3.16Å; F295-Q297 VanDerWaalsContact C-N 3.3Å; F295-Q297 PolarHBondContact O-N 3.03Å; Q297-Y301 PolarHBondContact O-N 3.05Å; Q297-K302 PolarHBondContact O-N 3.15Å
298	E	93.6	Very high	93.1	Very high	36 Å²	36	45.1 Å²	45.1	17%	0.168	21%	0.21	C	C	.	.	I	π-helix	trans	-79	-45.1	-174.3	-66.3	-56.2	132.2	0	0	113.3	P214 Y294 F295 K302	P214-E298 HydrophobicContact CB-CB 3.83Å; P214-E298 HydrophobicContact CG-CB 4.15Å; Y294-E298 HydrophobicContact CD2-CG 4.06Å; Y294-E298 HydrophobicContact CE1-CG 4.29Å; Y294-E298 HydrophobicContact CE2-CG 3.61Å; Y294-E298 PolarHBondContact O-N 3.29Å; F295-E298 PolarHBondContact O-N 3.23Å; E298-K302 WeakPolarHBondContact OE1-CD 3.23Å; E298-K302 WeakPolarHBondContact OE1-CE 3.29Å; E298-K302 IonicContact OE1-NZ 2.66Å; E298-K302 PolarHBondContact OE1-NZ 2.7Å; E298-K302 WeakPolarHBondContact OE2-CD 3.25Å; E298-K302 IonicContact OE2-NZ 3.92Å
299	L	91.6	Very high	93.5	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.042	23%	0.233	C	C	.	.	I	π-helix	trans	-92.4	-15.5	-171.6	-61.9	174.2	0	0	0	114	P214 S270 V272 F295 R303	P214-L299 HydrophobicContact CB-CD2 3.55Å; P214-L299 HydrophobicContact CB-CG 4.05Å; P214-L299 HydrophobicContact CG-CD2 3.83Å; S270-L299 WeakPolarHBondContact O-CD1 3.47Å; V272-L299 HydrophobicContact CG1-CD1 4.24Å; F295-L299 HydrophobicContact CB-CD1 4.19Å; F295-L299 HydrophobicContact CD1-CD1 3.7Å; F295-L299 HydrophobicContact CD1-CG 4.36Å; F295-L299 HydrophobicContact CE1-CD1 4.43Å; F295-L299 HydrophobicContact CG-CD1 4.21Å; F295-L299 WeakPolarHBondContact O-CA 3.5Å; F295-L299 VanDerWaalsContact O-CB 3.23Å; F295-L299 WeakPolarHBondContact O-CB 3.49Å; F295-L299 PolarHBondContact O-N 2.95Å; L299-R303 WeakPolarHBondContact O-CB 3.26Å; L299-R303 WeakPolarHBondContact O-CD 3.38Å
300	I	90.4	Very high	93.9	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.041	22%	0.221	C	C	.	.	I	π-helix	trans	-113.8	-64	174.5	-53.9	-64.2	0	0	0	110.1	T269 R296 N304	T269-I300 HydrophobicContact CG2-CD1 3.66Å; R296-I300 WeakPolarHBondContact O-CB 3.28Å; R296-I300 PolarHBondContact O-N 2.04Å; I300-N304 WeakPolarHBondContact O-CB 3.47Å; I300-N304 PolarHBondContact O-N 3.47Å; I300-N304 PolarHBondContact O-ND2 3.36Å; I300-N304 PolarHBondContact O-OD1 3.17Å
301	Y	92.8	Very high	94.2	Very high	55 Å²	55	44 Å²	44	22%	0.216	20%	0.2	C	C	.	.	I	π-helix	trans	-71.6	-55	-167.6	-64	-34.3	0	0	0	114.8	R296 Q297 R303 N304 E305 N336	R296-Y301 HydrophobicContact CG-CE2 4.2Å; R296-Y301 PolarHBondContact NH1-OH 2.91Å; R296-Y301 PolarHBondContact NH2-OH 3.26Å; R296-Y301 PolarHBondContact O-N 3.34Å; R296-Y301 VanDerWaalsContact O-N 3.14Å; Q297-Y301 PolarHBondContact O-N 3.05Å; Y301-R303 PolarHBondContact O-N 3Å; Y301-N304 PolarHBondContact O-N 2.98Å; Y301-E305 PolarHBondContact O-N 3.41Å; Y301-E305 VanDerWaalsContact O-N 3.14Å; Y301-N336 HydrophobicContact CD1-CB 3.85Å; Y301-N336 HydrophobicContact CE1-CB 3.89Å
302	K	95.4	Very high	94.6	Very high	82 Å²	82	46.1 Å²	46.1	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-64	-34.6	176.6	-73.5	-178.8	175	175.3	0	111.4	Q297 E298 R306	Q297-K302 PolarHBondContact O-N 3.15Å; E298-K302 WeakPolarHBondContact OE1-CD 3.23Å; E298-K302 WeakPolarHBondContact OE1-CE 3.29Å; E298-K302 IonicContact OE1-NZ 2.66Å; E298-K302 PolarHBondContact OE1-NZ 2.7Å; E298-K302 WeakPolarHBondContact OE2-CD 3.25Å; E298-K302 IonicContact OE2-NZ 3.92Å; K302-R306 WeakPolarHBondContact O-CG 3.46Å; K302-R306 PolarHBondContact O-N 3.35Å; K302-R306 VanDerWaalsContact O-N 3.16Å
303	R	95.8	Very high	95	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.019	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-51.1	177.2	-161	170.8	172.1	-150.4	-4.2	111.3	E86 E206 L299 Y301 E305 R306 M307 H331	E86-R303 IonicContact OE1-NH2 2.73Å; E86-R303 IonicContact OE2-CZ 3.15Å; E86-R303 IonicContact OE2-NH1 2.69Å; E86-R303 IonicContact OE2-NH2 2.7Å; E86-R303 PolarHBondContact OE2-NH2 3.29Å; E206-R303 VanDerWaalsContact CD-NE 3.31Å; E206-R303 WeakPolarHBondContact OE1-CD 3.34Å; E206-R303 WeakPolarHBondContact OE1-CG 3.47Å; E206-R303 IonicContact OE1-CZ 2.82Å; E206-R303 IonicContact OE1-NE 2.81Å; E206-R303 PolarHBondContact OE1-NE 3.4Å; E206-R303 IonicContact OE1-NH2 3.57Å; E206-R303 IonicContact OE2-CZ 3.33Å; E206-R303 IonicContact OE2-NE 2.68Å; E206-R303 PolarHBondContact OE2-NE 3.36Å; E206-R303 VanDerWaalsContact OE2-NE 3.15Å; E206-R303 IonicContact OE2-NH2 3.23Å; E206-R303 PolarHBondContact OE2-NH2 3.5Å; L299-R303 WeakPolarHBondContact O-CB 3.26Å; L299-R303 WeakPolarHBondContact O-CD 3.38Å; Y301-R303 PolarHBondContact O-N 3Å; R303-E305 VanDerWaalsContact C-N 3.3Å; R303-E305 PolarHBondContact O-N 3.06Å; R303-R306 PolarHBondContact O-N 3.46Å; R303-R306 VanDerWaalsContact O-N 3.17Å; R303-M307 HydrophobicContact CG-CG 4.43Å; R303-M307 HydrophobicContact CG-SD 3.84Å; R303-M307 WeakPolarHBondContact O-CB 3.06Å; R303-M307 VanDerWaalsContact O-CG 3.26Å; R303-M307 WeakPolarHBondContact O-CG 3.31Å; R303-M307 PolarHBondContact O-N 3.49Å; R303-H331 PolarHBondContact NH1-NE2 2.63Å
304	N	97.2	Very high	95.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.011	19%	0.194	C	C	.	.	H	α-helix	trans	-55.4	-43.3	175.5	-75.5	-10.8	0	0	0	112.6	I300 Y301 M307 G308 H331 N336 V338	I300-N304 WeakPolarHBondContact O-CB 3.47Å; I300-N304 PolarHBondContact O-N 3.47Å; I300-N304 PolarHBondContact O-ND2 3.36Å; I300-N304 PolarHBondContact O-OD1 3.17Å; Y301-N304 PolarHBondContact O-N 2.98Å; N304-M307 PolarHBondContact O-N 2.88Å; N304-G308 PolarHBondContact O-N 3.09Å; N304-H331 PolarHBondContact OD1-ND1 3.2Å; N304-N336 WeakPolarHBondContact CB-O 3.22Å; N304-N336 PolarHBondContact ND2-O 2.79Å; N304-V338 HydrophobicContact CB-CG2 4.15Å
305	E	97.3	Very high	95.6	Very high	92 Å²	92	40.9 Å²	40.9	43%	0.43	18%	0.184	S	C	.	.	H	α-helix	trans	-62.1	-47.1	178.6	-168.4	-171.2	177.1	0	0	111.7	Y301 R303 K309	Y301-E305 PolarHBondContact O-N 3.41Å; Y301-E305 VanDerWaalsContact O-N 3.14Å; R303-E305 VanDerWaalsContact C-N 3.3Å; R303-E305 PolarHBondContact O-N 3.06Å; E305-K309 HydrophobicContact CG-CD 4.48Å; E305-K309 WeakPolarHBondContact O-CG 3.07Å; E305-K309 PolarHBondContact O-N 3.32Å; E305-K309 VanDerWaalsContact O-N 3.15Å; E305-K309 WeakPolarHBondContact OE1-CE 3.42Å; E305-K309 IonicContact OE1-NZ 3.72Å; E305-K309 PolarHBondContact OE1-NZ 3.01Å
306	R	97.6	Very high	95.9	Very high	66 Å²	66	45.9 Å²	45.9	25%	0.249	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-47.4	177	-69.9	-168.8	-56.4	-90.1	1.7	111.6	E210 K302 R303 K309 R310	E210-R306 IonicContact OE1-NE 3.33Å; K302-R306 WeakPolarHBondContact O-CG 3.46Å; K302-R306 PolarHBondContact O-N 3.35Å; K302-R306 VanDerWaalsContact O-N 3.16Å; R303-R306 PolarHBondContact O-N 3.46Å; R303-R306 VanDerWaalsContact O-N 3.17Å; R306-K309 PolarHBondContact O-N 2.88Å; R306-R310 WeakPolarHBondContact O-CG 3.37Å; R306-R310 PolarHBondContact O-N 3.12Å
307	M	98	Very high	96.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-48.8	179.3	-69.4	171	82.2	0	0	111.1	E86 V205 E206 R303 N304 K309 R310 V311 F327 V338	E86-M307 HydrophobicContact CG-CE 4.03Å; V205-M307 HydrophobicContact CG1-CB 4.2Å; V205-M307 HydrophobicContact CG1-CG 4.2Å; E206-M307 HydrophobicContact CG-CG 4.1Å; R303-M307 HydrophobicContact CG-CG 4.43Å; R303-M307 HydrophobicContact CG-SD 3.84Å; R303-M307 WeakPolarHBondContact O-CB 3.06Å; R303-M307 VanDerWaalsContact O-CG 3.26Å; R303-M307 WeakPolarHBondContact O-CG 3.31Å; R303-M307 PolarHBondContact O-N 3.49Å; N304-M307 PolarHBondContact O-N 2.88Å; M307-K309 PolarHBondContact O-N 3.46Å; M307-R310 PolarHBondContact O-N 3Å; M307-V311 WeakPolarHBondContact O-CB 3.31Å; M307-V311 VanDerWaalsContact O-CG2 3.28Å; M307-V311 WeakPolarHBondContact O-CG2 3.49Å; M307-V311 PolarHBondContact O-N 3.18Å; M307-F327 HydrophobicContact CE-CB 3.86Å; M307-F327 HydrophobicContact CE-CD1 3.67Å; M307-F327 HydrophobicContact CE-CD2 3.34Å; M307-F327 HydrophobicContact CE-CE1 4.04Å; M307-F327 HydrophobicContact CE-CE2 3.7Å; M307-F327 HydrophobicContact CE-CG 3.35Å; M307-F327 HydrophobicContact CE-CZ 4.05Å; M307-V338 HydrophobicContact CB-CG2 4Å; M307-V338 HydrophobicContact SD-CG2 4.4Å
308	G	97.9	Very high	96.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-40.8	179.5	0	0	0	0	0	113.3	N304 K312	N304-G308 PolarHBondContact O-N 3.09Å; G308-K312 WeakPolarHBondContact O-CB 3.46Å; G308-K312 PolarHBondContact O-N 3.45Å
309	K	97.9	Very high	96.5	Very high	110 Å²	110	47.4 Å²	47.4	48%	0.478	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-39.9	174.5	-73.4	175.1	-173.7	171.2	0	112.5	E305 R306 M307 K312 A313	E305-K309 HydrophobicContact CG-CD 4.48Å; E305-K309 WeakPolarHBondContact O-CG 3.07Å; E305-K309 PolarHBondContact O-N 3.32Å; E305-K309 VanDerWaalsContact O-N 3.15Å; E305-K309 WeakPolarHBondContact OE1-CE 3.42Å; E305-K309 IonicContact OE1-NZ 3.72Å; E305-K309 PolarHBondContact OE1-NZ 3.01Å; R306-K309 PolarHBondContact O-N 2.88Å; M307-K309 PolarHBondContact O-N 3.46Å; K309-K312 WeakPolarHBondContact O-CB 3.48Å; K309-A313 PolarHBondContact O-N 2.92Å; K309-A313 VanDerWaalsContact O-N 3.1Å
310	R	98.3	Very high	96.7	Very high	73 Å²	73	51.2 Å²	51.2	28%	0.275	25%	0.247	S	C	.	.	H	α-helix	trans	-73	-40.5	178.6	-73.6	179.7	-177.6	155.4	5.2	112.6	V205 E210 R306 M307 K312 A313 L314	V205-R310 HydrophobicContact CG1-CB 3.73Å; V205-R310 WeakPolarHBondContact O-CD 3.26Å; V205-R310 PolarHBondContact O-NH1 3.22Å; E210-R310 IonicContact OE1-CZ 3.58Å; E210-R310 IonicContact OE1-NH1 2.71Å; E210-R310 PolarHBondContact OE1-NH1 3.13Å; E210-R310 IonicContact OE1-NH2 3.56Å; E210-R310 PolarHBondContact OE1-NH2 3.29Å; E210-R310 IonicContact OE2-CZ 2.66Å; E210-R310 IonicContact OE2-NH1 2.65Å; E210-R310 PolarHBondContact OE2-NH1 3.36Å; E210-R310 IonicContact OE2-NH2 3.42Å; R306-R310 WeakPolarHBondContact O-CG 3.37Å; R306-R310 PolarHBondContact O-N 3.12Å; M307-R310 PolarHBondContact O-N 3Å; R310-K312 VanDerWaalsContact C-N 3.28Å; R310-K312 PolarHBondContact O-N 3.21Å; R310-A313 PolarHBondContact O-N 3.09Å; R310-A313 VanDerWaalsContact O-N 3.16Å; R310-L314 WeakPolarHBondContact O-CG 3.39Å; R310-L314 PolarHBondContact O-N 3.14Å
311	V	98.5	Very high	97	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-45	172.7	171.2	0	0	0	0	110.1	F54 V205 M307 A313 L314 L315 F325 F327 L342	F54-V311 HydrophobicContact CE1-CB 4.46Å; F54-V311 HydrophobicContact CE1-CG1 3.85Å; F54-V311 HydrophobicContact CE1-CG2 4.04Å; F54-V311 HydrophobicContact CZ-CB 4.46Å; F54-V311 HydrophobicContact CZ-CG1 3.7Å; F54-V311 HydrophobicContact CZ-CG2 4.49Å; V205-V311 HydrophobicContact CG2-CG2 4.44Å; M307-V311 WeakPolarHBondContact O-CB 3.31Å; M307-V311 VanDerWaalsContact O-CG2 3.28Å; M307-V311 WeakPolarHBondContact O-CG2 3.49Å; M307-V311 PolarHBondContact O-N 3.18Å; V311-A313 PolarHBondContact O-N 3.11Å; V311-L314 PolarHBondContact O-N 3.11Å; V311-L315 HydrophobicContact CG1-CD1 3.76Å; V311-L315 HydrophobicContact CG1-CG 4.17Å; V311-L315 WeakPolarHBondContact O-CB 3.42Å; V311-L315 WeakPolarHBondContact O-CG 3.24Å; V311-L315 PolarHBondContact O-N 2.97Å; V311-F325 HydrophobicContact CB-CE1 4.44Å; V311-F325 HydrophobicContact CB-CZ 4.42Å; V311-F325 HydrophobicContact CG1-CD2 4.11Å; V311-F325 HydrophobicContact CG1-CE1 4.12Å; V311-F325 HydrophobicContact CG1-CE2 3.66Å; V311-F325 HydrophobicContact CG1-CZ 3.68Å; V311-F325 HydrophobicContact CG2-CD1 3.93Å; V311-F325 HydrophobicContact CG2-CE1 3.94Å; V311-F325 HydrophobicContact CG2-CG 4.37Å; V311-F325 HydrophobicContact CG2-CZ 4.37Å; V311-F327 HydrophobicContact CG2-CE2 3.94Å; V311-F327 HydrophobicContact CG2-CZ 3.91Å; V311-L342 HydrophobicContact CB-CD1 4.17Å; V311-L342 HydrophobicContact CG1-CD1 4.1Å; V311-L342 HydrophobicContact CG1-CD2 3.99Å
312	K	97.8	Very high	97.2	Very high	48 Å²	48	51.7 Å²	51.7	21%	0.209	25%	0.25	C	S	.	.	H	α-helix	trans	-53.7	-52.4	172.6	178.4	-167.3	175	-171.5	0	111.5	G308 K309 R310 L314 L315 E316 Q345 Y347	G308-K312 WeakPolarHBondContact O-CB 3.46Å; G308-K312 PolarHBondContact O-N 3.45Å; K309-K312 WeakPolarHBondContact O-CB 3.48Å; R310-K312 VanDerWaalsContact C-N 3.28Å; R310-K312 PolarHBondContact O-N 3.21Å; K312-L314 VanDerWaalsContact C-N 3.33Å; K312-L314 PolarHBondContact O-N 3.4Å; K312-L315 WeakPolarHBondContact O-CB 3.18Å; K312-L315 PolarHBondContact O-N 3.37Å; K312-L315 VanDerWaalsContact O-N 3.14Å; K312-E316 VanDerWaalsContact CE-CD 3.47Å; K312-E316 WeakPolarHBondContact CE-OE1 3.46Å; K312-E316 HydrophobicContact CG-CG 4.44Å; K312-E316 IonicContact NZ-OE1 3.93Å; K312-E316 WeakPolarHBondContact O-CG 3.47Å; K312-E316 PolarHBondContact O-N 2.93Å; K312-Q345 HydrophobicContact CD-CB 3.94Å; K312-Q345 HydrophobicContact CD-CG 3.88Å; K312-Y347 HydrophobicContact CG-CE2 4.01Å
313	A	98.1	Very high	97.4	Very high	49 Å²	49	47.8 Å²	47.8	41%	0.405	23%	0.233	S	C	.	.	H	α-helix	trans	-58.3	-44.3	-179.3	0	0	0	0	0	112.3	K309 R310 V311 L315 E316 E317	K309-A313 PolarHBondContact O-N 2.92Å; K309-A313 VanDerWaalsContact O-N 3.1Å; R310-A313 PolarHBondContact O-N 3.09Å; R310-A313 VanDerWaalsContact O-N 3.16Å; V311-A313 PolarHBondContact O-N 3.11Å; A313-L315 VanDerWaalsContact C-N 3.32Å; A313-L315 PolarHBondContact O-N 3.2Å; A313-E316 PolarHBondContact O-N 3.09Å; A313-E317 WeakPolarHBondContact O-CB 3.41Å; A313-E317 PolarHBondContact O-N 2.94Å
314	L	98.1	Very high	97.5	Very high	20 Å²	20	47.7 Å²	47.7	11%	0.105	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-40.9	176.1	-70.5	169.5	0	0	0	112.4	Y84 V205 R310 V311 K312 E316 H318 F323 F325	Y84-L314 HydrophobicContact CD1-CD1 3.72Å; Y84-L314 HydrophobicContact CD2-CD1 4.35Å; Y84-L314 HydrophobicContact CE1-CD1 3.53Å; Y84-L314 HydrophobicContact CE1-CD2 4.02Å; Y84-L314 HydrophobicContact CE1-CG 4.44Å; Y84-L314 HydrophobicContact CE2-CD1 4.18Å; Y84-L314 HydrophobicContact CE2-CD2 4.2Å; Y84-L314 HydrophobicContact CG-CD1 4.13Å; Y84-L314 VanDerWaalsContact OH-CD2 3.3Å; Y84-L314 WeakPolarHBondContact OH-CD2 3.46Å; V205-L314 HydrophobicContact CG2-CD1 4.19Å; R310-L314 WeakPolarHBondContact O-CG 3.39Å; R310-L314 PolarHBondContact O-N 3.14Å; V311-L314 PolarHBondContact O-N 3.11Å; K312-L314 VanDerWaalsContact C-N 3.33Å; K312-L314 PolarHBondContact O-N 3.4Å; L314-E316 VanDerWaalsContact C-N 3.34Å; L314-H318 PolarHBondContact O-N 3.36Å; L314-F323 HydrophobicContact CB-CE1 4.42Å; L314-F325 HydrophobicContact CD1-CE1 3.92Å
315	L	97.7	Very high	97.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-37.2	177.1	-73.7	174.5	0	0	0	111.7	I46 R48 V311 K312 A313 F323 F325 L342 Y347	I46-L315 HydrophobicContact CD1-CD1 4Å; I46-L315 HydrophobicContact CG2-CD1 4.24Å; R48-L315 VanDerWaalsContact NH1-C 3.34Å; R48-L315 PolarHBondContact NH1-O 3.17Å; R48-L315 PolarHBondContact NH2-O 2.99Å; V311-L315 HydrophobicContact CG1-CD1 3.76Å; V311-L315 HydrophobicContact CG1-CG 4.17Å; V311-L315 WeakPolarHBondContact O-CB 3.42Å; V311-L315 WeakPolarHBondContact O-CG 3.24Å; V311-L315 PolarHBondContact O-N 2.97Å; K312-L315 WeakPolarHBondContact O-CB 3.18Å; K312-L315 PolarHBondContact O-N 3.37Å; K312-L315 VanDerWaalsContact O-N 3.14Å; A313-L315 VanDerWaalsContact C-N 3.32Å; A313-L315 PolarHBondContact O-N 3.2Å; L315-F323 HydrophobicContact CD2-CD2 3.9Å; L315-F323 HydrophobicContact CD2-CG 4.42Å; L315-F325 HydrophobicContact CD2-CE2 4.07Å; L315-F325 HydrophobicContact CD2-CZ 4.36Å; L315-F325 HydrophobicContact CG-CE2 4.39Å; L315-F325 HydrophobicContact CG-CZ 4.43Å; L315-L342 HydrophobicContact CD1-CD2 3.87Å; L315-Y347 HydrophobicContact CB-CE1 4.31Å; L315-Y347 HydrophobicContact CD1-CD1 4.31Å; L315-Y347 HydrophobicContact CD1-CE1 3.97Å
316	E	97	Very high	97.6	Very high	110 Å²	110	43.2 Å²	43.2	51%	0.514	21%	0.212	S	C	.	.	H	α-helix	trans	-76	-39.2	178.4	-71	176.6	154.7	0	0	112.7	K312 A313 L314 H318	K312-E316 VanDerWaalsContact CE-CD 3.47Å; K312-E316 WeakPolarHBondContact CE-OE1 3.46Å; K312-E316 HydrophobicContact CG-CG 4.44Å; K312-E316 IonicContact NZ-OE1 3.93Å; K312-E316 WeakPolarHBondContact O-CG 3.47Å; K312-E316 PolarHBondContact O-N 2.93Å; A313-E316 PolarHBondContact O-N 3.09Å; L314-E316 VanDerWaalsContact C-N 3.34Å; E316-H318 VanDerWaalsContact C-N 3.26Å; E316-H318 PolarHBondContact O-N 3.37Å
317	E	97.3	Very high	97.6	Very high	135 Å²	135	40.1 Å²	40.1	63%	0.631	20%	0.2	S	C	*	.	H	α-helix	trans	-66.9	-28.4	179.1	-171.9	178.3	170.6	0	0	112.5	A313 P319	A313-E317 WeakPolarHBondContact O-CB 3.41Å; A313-E317 PolarHBondContact O-N 2.94Å; E317-P319 WeakPolarHBondContact O-CD 3.41Å
318	H	96.6	Very high	97.5	Very high	50 Å²	50	40.1 Å²	40.1	23%	0.231	20%	0.2	C	C	.	.			trans	-128.2	71	-175.9	-60.9	-47.1	0	0	0	111.3	R48 L314 E316 D320 K321 F323	R48-H318 PolarHBondContact NH2-O 2.85Å; L314-H318 PolarHBondContact O-N 3.36Å; E316-H318 VanDerWaalsContact C-N 3.26Å; E316-H318 PolarHBondContact O-N 3.37Å; H318-D320 VanDerWaalsContact C-N 3.27Å; H318-D320 PolarHBondContact O-N 3.44Å; H318-K321 HydrophobicContact CB-CB 4.11Å; H318-K321 HydrophobicContact CB-CG 4.02Å; H318-K321 PolarHBondContact O-N 2.69Å; H318-F323 HydrophobicContact CB-CE2 3.79Å; H318-F323 HydrophobicContact CB-CZ 3.58Å; H318-F323 AromaticContact CD2-CZ 3.74Å
319	P	96.1	Very high	97.3	Very high	82 Å²	82	40.1 Å²	40.1	53%	0.532	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.2	-175.9	25.4	-33.9	0	0	0	113.1	R48 E317	R48-P319 PolarHBondContact NH2-O 3.03Å; E317-P319 WeakPolarHBondContact O-CD 3.41Å
320	D	95.9	Very high	97	Very high	88 Å²	88	34.9 Å²	34.9	47%	0.471	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	4.2	-175.3	71.3	-52.5	0	0	0	114.3	H318	H318-D320 VanDerWaalsContact C-N 3.27Å; H318-D320 PolarHBondContact O-N 3.44Å
321	K	96.3	Very high	96.8	Very high	65 Å²	65	31.4 Å²	31.4	28%	0.283	17%	0.165	S	C	.	.			trans	-111.6	144.4	-177.1	-55.9	-56.1	-176.5	-142.7	0	112.3	P50 I82 H318 F323	P50-K321 VanDerWaalsContact CG-C 3.49Å; I82-K321 HydrophobicContact CD1-CB 4.1Å; I82-K321 HydrophobicContact CD1-CG 4.14Å; H318-K321 HydrophobicContact CB-CB 4.11Å; H318-K321 HydrophobicContact CB-CG 4.02Å; H318-K321 PolarHBondContact O-N 2.69Å; K321-F323 HydrophobicContact CB-CE2 3.92Å; K321-F323 HydrophobicContact CB-CZ 4.34Å
322	S	97.2	Very high	96.6	Very high	7 Å²	7	31.8 Å²	31.8	5%	0.049	17%	0.166	C	C	.	.			trans	-91.7	132.2	170.4	177.2	0	0	0	0	110.2	P51 S80 N81 I82	P51-S322 WeakPolarHBondContact O-CB 3.36Å; P51-S322 PolarHBondContact O-OG 3.01Å; S80-S322 PolarHBondContact OG-OG 3.04Å; N81-S322 PolarHBondContact N-O 3.38Å; N81-S322 PolarHBondContact OD1-N 3.45Å; I82-S322 PolarHBondContact N-O 3.44Å; I82-S322 VanDerWaalsContact N-O 3.1Å
323	F	98.4	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	145.4	178.8	-68.4	-96.7	0	0	0	112	S52 Y53 I82 Y84 L314 L315 H318 K321 F325	S52-F323 CarbonylContact C-O 3.5Å; S52-F323 VanDerWaalsContact CA-O 3.25Å; S52-F323 WeakPolarHBondContact CA-O 3.48Å; S52-F323 WeakPolarHBondContact CB-O 3.48Å; S52-F323 PolarHBondContact OG-N 3.01Å; Y53-F323 PolarHBondContact N-O 3.34Å; I82-F323 HydrophobicContact CB-CD1 3.93Å; I82-F323 HydrophobicContact CB-CE1 3.95Å; I82-F323 HydrophobicContact CD1-CE1 3.88Å; I82-F323 HydrophobicContact CD1-CZ 3.91Å; I82-F323 HydrophobicContact CG1-CE1 4.42Å; I82-F323 HydrophobicContact CG2-CD1 4.18Å; I82-F323 HydrophobicContact CG2-CE1 4.01Å; I82-F323 CarbonylContact O-C 3.47Å; I82-F323 WeakPolarHBondContact O-CA 3.44Å; Y84-F323 AromaticContact CD2-CD1 3.97Å; Y84-F323 HydrophobicContact CD2-CD1 3.97Å; Y84-F323 HydrophobicContact CD2-CE1 4.16Å; Y84-F323 HydrophobicContact CE2-CD1 4.23Å; Y84-F323 AromaticContact CE2-CE1 3.93Å; Y84-F323 HydrophobicContact CE2-CE1 3.93Å; L314-F323 HydrophobicContact CB-CE1 4.42Å; L315-F323 HydrophobicContact CD2-CD2 3.9Å; L315-F323 HydrophobicContact CD2-CG 4.42Å; H318-F323 HydrophobicContact CB-CE2 3.79Å; H318-F323 HydrophobicContact CB-CZ 3.58Å; H318-F323 AromaticContact CD2-CZ 3.74Å; K321-F323 HydrophobicContact CB-CE2 3.92Å; K321-F323 HydrophobicContact CB-CZ 4.34Å; F323-F325 HydrophobicContact CB-CD2 4.03Å; F323-F325 HydrophobicContact CB-CE1 4.4Å; F323-F325 HydrophobicContact CB-CE2 3.35Å; F323-F325 HydrophobicContact CB-CZ 3.56Å; F323-F325 HydrophobicContact CD1-CE1 4.21Å; F323-F325 HydrophobicContact CD1-CE2 4.43Å; F323-F325 AromaticContact CD1-CZ 3.75Å; F323-F325 HydrophobicContact CD1-CZ 3.75Å; F323-F325 HydrophobicContact CG-CE2 4Å; F323-F325 AromaticContact CG-CZ 3.73Å; F323-F325 HydrophobicContact CG-CZ 3.73Å
324	F	98.6	Very high	95.8	Very high	3 Å²	3	30 Å²	30	1%	0.013	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	110	164.8	-166.5	-86.7	0	0	0	109.3	L43 Y53 Y55 A76 F77 I82 V83 Y84 A326	L43-F324 HydrophobicContact CD1-CE2 4.09Å; Y53-F324 HydrophobicContact CD2-CD2 4.48Å; Y55-F324 VanDerWaalsContact CB-CE1 3.42Å; Y55-F324 AromaticContact CD1-CE1 3.93Å; Y55-F324 HydrophobicContact CD1-CE1 3.93Å; Y55-F324 AromaticContact CD1-CZ 3.87Å; Y55-F324 HydrophobicContact CD1-CZ 3.87Å; Y55-F324 HydrophobicContact CD2-CZ 4.04Å; Y55-F324 AromaticContact CG-CE1 3.83Å; Y55-F324 HydrophobicContact CG-CE1 3.83Å; Y55-F324 HydrophobicContact CG-CE2 4.44Å; Y55-F324 AromaticContact CG-CZ 3.44Å; Y55-F324 HydrophobicContact CG-CZ 3.44Å; Y55-F324 VanDerWaalsContact CG-CZ 3.44Å; A76-F324 HydrophobicContact CB-CD2 4.25Å; A76-F324 HydrophobicContact CB-CE2 4Å; F77-F324 HydrophobicContact CB-CD2 4.05Å; F77-F324 HydrophobicContact CB-CE1 4.29Å; F77-F324 HydrophobicContact CB-CE2 3.79Å; F77-F324 HydrophobicContact CB-CG 4.4Å; F77-F324 HydrophobicContact CB-CZ 3.89Å; F77-F324 AromaticContact CD2-CD1 3.8Å; F77-F324 HydrophobicContact CD2-CD1 3.8Å; F77-F324 AromaticContact CD2-CE1 3.85Å; F77-F324 HydrophobicContact CD2-CE1 3.85Å; F77-F324 HydrophobicContact CD2-CG 4.2Å; F77-F324 HydrophobicContact CD2-CZ 4.31Å; I82-F324 PolarHBondContact O-N 2.86Å; V83-F324 CarbonylContact C-O 3.48Å; V83-F324 VanDerWaalsContact CA-O 3.3Å; V83-F324 WeakPolarHBondContact CA-O 3.26Å; V83-F324 HydrophobicContact CG1-CB 4.44Å; V83-F324 HydrophobicContact CG1-CD1 4.23Å; V83-F324 WeakPolarHBondContact CG1-O 2.95Å; V83-F324 HydrophobicContact CG2-CB 4.36Å; Y84-F324 PolarHBondContact N-O 3.23Å; F324-A326 HydrophobicContact CD1-CB 4.29Å; F324-A326 HydrophobicContact CE1-CB 4.12Å
325	F	98.7	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	110.6	178.7	-62.6	-76.7	0	0	0	109.5	I46 Y53 F54 Y55 Y84 V205 V311 L314 L315 F323 F327	I46-F325 HydrophobicContact CD1-CD2 4.29Å; I46-F325 HydrophobicContact CD1-CE2 4.27Å; Y53-F325 WeakPolarHBondContact O-CD2 3.39Å; Y53-F325 PolarHBondContact O-N 3.11Å; F54-F325 CarbonylContact C-O 3.57Å; F54-F325 WeakPolarHBondContact CA-O 3.5Å; F54-F325 HydrophobicContact CD1-CB 3.55Å; F54-F325 HydrophobicContact CD1-CD2 4.08Å; F54-F325 HydrophobicContact CD1-CG 4.1Å; F54-F325 HydrophobicContact CE1-CB 3.91Å; F54-F325 AromaticContact CE1-CD2 3.89Å; F54-F325 HydrophobicContact CE1-CD2 3.89Å; F54-F325 AromaticContact CE1-CG 3.99Å; F54-F325 HydrophobicContact CE1-CG 3.99Å; Y55-F325 PolarHBondContact N-O 2.86Å; Y84-F325 VanDerWaalsContact CB-CD1 3.46Å; Y84-F325 HydrophobicContact CD2-CE1 4.33Å; Y84-F325 HydrophobicContact CG-CD1 4.26Å; Y84-F325 HydrophobicContact CG-CE1 4.05Å; Y84-F325 CarbonylContact O-C 3.47Å; Y84-F325 WeakPolarHBondContact O-CA 3.49Å; V205-F325 HydrophobicContact CG2-CD1 4.35Å; V311-F325 HydrophobicContact CB-CE1 4.44Å; V311-F325 HydrophobicContact CB-CZ 4.42Å; V311-F325 HydrophobicContact CG1-CD2 4.11Å; V311-F325 HydrophobicContact CG1-CE1 4.12Å; V311-F325 HydrophobicContact CG1-CE2 3.66Å; V311-F325 HydrophobicContact CG1-CZ 3.68Å; V311-F325 HydrophobicContact CG2-CD1 3.93Å; V311-F325 HydrophobicContact CG2-CE1 3.94Å; V311-F325 HydrophobicContact CG2-CG 4.37Å; V311-F325 HydrophobicContact CG2-CZ 4.37Å; L314-F325 HydrophobicContact CD1-CE1 3.92Å; L315-F325 HydrophobicContact CD2-CE2 4.07Å; L315-F325 HydrophobicContact CD2-CZ 4.36Å; L315-F325 HydrophobicContact CG-CE2 4.39Å; L315-F325 HydrophobicContact CG-CZ 4.43Å; F323-F325 HydrophobicContact CB-CD2 4.03Å; F323-F325 HydrophobicContact CB-CE1 4.4Å; F323-F325 HydrophobicContact CB-CE2 3.35Å; F323-F325 HydrophobicContact CB-CZ 3.56Å; F323-F325 HydrophobicContact CD1-CE1 4.21Å; F323-F325 HydrophobicContact CD1-CE2 4.43Å; F323-F325 AromaticContact CD1-CZ 3.75Å; F323-F325 HydrophobicContact CD1-CZ 3.75Å; F323-F325 HydrophobicContact CG-CE2 4Å; F323-F325 AromaticContact CG-CZ 3.73Å; F323-F325 HydrophobicContact CG-CZ 3.73Å; F325-F327 HydrophobicContact CB-CE1 4.14Å; F325-F327 HydrophobicContact CB-CE2 3.92Å; F325-F327 HydrophobicContact CB-CZ 3.67Å; F325-F327 HydrophobicContact CD1-CE1 4.42Å; F325-F327 AromaticContact CD1-CZ 3.77Å; F325-F327 HydrophobicContact CD1-CZ 3.77Å; F325-F327 HydrophobicContact CG-CE2 4.48Å; F325-F327 HydrophobicContact CG-CZ 4.07Å
326	A	98.1	Very high	95.2	Very high	1 Å²	1	40 Å²	40	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	103.5	179.2	0	0	0	0	0	109.9	Y55 T57 Y84 F85 L191 F324	Y55-A326 WeakPolarHBondContact O-CA 3.25Å; T57-A326 HydrophobicContact CG2-CB 4.03Å; Y84-A326 PolarHBondContact O-N 3.23Å; F85-A326 HydrophobicContact CD1-CB 3.77Å; F85-A326 HydrophobicContact CE1-CB 3.72Å; L191-A326 HydrophobicContact CD1-CB 4.29Å; F324-A326 HydrophobicContact CD1-CB 4.29Å; F324-A326 HydrophobicContact CE1-CB 4.12Å
327	F	97.3	Very high	95.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.7	-179.5	-50.2	-33.3	0	0	0	110.4	F54 Y55 G56 T57 E86 V205 M307 V311 F325 A329 F332 V338	F54-F327 HydrophobicContact CD1-CD2 4.39Å; F54-F327 HydrophobicContact CD1-CE2 4.13Å; F54-F327 AromaticContact CE1-CE2 3.96Å; F54-F327 HydrophobicContact CE1-CE2 3.96Å; Y55-F327 PolarHBondContact O-N 3.47Å; Y55-F327 VanDerWaalsContact O-O 3.09Å; G56-F327 CarbonylContact C-O 3.51Å; G56-F327 VanDerWaalsContact CA-O 3.25Å; G56-F327 WeakPolarHBondContact CA-O 3.3Å; T57-F327 PolarHBondContact N-O 3.47Å; T57-F327 PolarHBondContact OG1-O 2.8Å; E86-F327 HydrophobicContact CG-CB 4.04Å; E86-F327 HydrophobicContact CG-CD1 3.69Å; E86-F327 HydrophobicContact CG-CG 4.19Å; E86-F327 WeakPolarHBondContact OE1-CA 3.5Å; E86-F327 WeakPolarHBondContact OE1-CB 3.24Å; V205-F327 HydrophobicContact CB-CE1 4.25Å; V205-F327 HydrophobicContact CB-CZ 4.19Å; V205-F327 HydrophobicContact CG1-CZ 4.5Å; V205-F327 HydrophobicContact CG2-CE1 3.84Å; V205-F327 HydrophobicContact CG2-CZ 3.65Å; M307-F327 HydrophobicContact CE-CB 3.86Å; M307-F327 HydrophobicContact CE-CD1 3.67Å; M307-F327 HydrophobicContact CE-CD2 3.34Å; M307-F327 HydrophobicContact CE-CE1 4.04Å; M307-F327 HydrophobicContact CE-CE2 3.7Å; M307-F327 HydrophobicContact CE-CG 3.35Å; M307-F327 HydrophobicContact CE-CZ 4.05Å; V311-F327 HydrophobicContact CG2-CE2 3.94Å; V311-F327 HydrophobicContact CG2-CZ 3.91Å; F325-F327 HydrophobicContact CB-CE1 4.14Å; F325-F327 HydrophobicContact CB-CE2 3.92Å; F325-F327 HydrophobicContact CB-CZ 3.67Å; F325-F327 HydrophobicContact CD1-CE1 4.42Å; F325-F327 AromaticContact CD1-CZ 3.77Å; F325-F327 HydrophobicContact CD1-CZ 3.77Å; F325-F327 HydrophobicContact CG-CE2 4.48Å; F325-F327 HydrophobicContact CG-CZ 4.07Å; F327-A329 PolarHBondContact O-N 3.29Å; F327-F332 HydrophobicContact CB-CE2 3.95Å; F327-F332 HydrophobicContact CB-CZ 3.75Å; F327-F332 HydrophobicContact CD2-CE1 4.04Å; F327-F332 AromaticContact CD2-CZ 3.58Å; F327-F332 HydrophobicContact CD2-CZ 3.58Å; F327-F332 HydrophobicContact CG-CZ 4.03Å; F327-V338 HydrophobicContact CE2-CG1 4.5Å
328	G	94.9	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	133.2	173.7	0	0	0	0	0	111.4	T57 E86 G330 H331	T57-G328 CarbonylContact O-C 3.54Å; T57-G328 WeakPolarHBondContact O-CA 3.5Å; T57-G328 PolarHBondContact OG1-N 3.06Å; E86-G328 PolarHBondContact OE1-N 2.94Å; G328-G330 PolarHBondContact O-N 3.49Å; G328-H331 WeakPolarHBondContact O-CB 3.44Å; G328-H331 PolarHBondContact O-CD2 3.19Å; G328-H331 PolarHBondContact O-N 3.34Å
329	A	93.6	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-57.2	-27.4	-171.2	0	0	0	0	0	113.6	F42 T57 I58 F265 F327 H331 F332 L333	F42-A329 HydrophobicContact CD1-CB 3.75Å; F42-A329 HydrophobicContact CE1-CB 3.9Å; T57-A329 WeakPolarHBondContact O-CB 3.46Å; T57-A329 PolarHBondContact O-N 2.92Å; I58-A329 HydrophobicContact CG2-CB 4.22Å; F265-A329 HydrophobicContact CB-CB 4.15Å; F265-A329 HydrophobicContact CD1-CB 3.83Å; F265-A329 HydrophobicContact CG-CB 4.08Å; F327-A329 PolarHBondContact O-N 3.29Å; A329-H331 PolarHBondContact O-N 3.36Å; A329-F332 PolarHBondContact O-N 2.73Å; A329-F332 VanDerWaalsContact O-N 3.13Å; A329-L333 WeakPolarHBondContact O-CG 3.42Å
330	G	91.6	Very high	95.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-62.9	-24.1	176.2	0	0	0	0	0	113.7	N266 T269 G328 F332 L333	N266-G330 VanDerWaalsContact OD1-CA 3.28Å; N266-G330 WeakPolarHBondContact OD1-CA 3.37Å; N266-G330 PolarHBondContact OD1-O 2.95Å; T269-G330 WeakPolarHBondContact OG1-CA 3.35Å; T269-G330 PolarHBondContact OG1-N 3.23Å; G328-G330 PolarHBondContact O-N 3.49Å; G330-F332 PolarHBondContact O-N 2.85Å; G330-L333 PolarHBondContact O-N 3.32Å
331	H	95.8	Very high	95.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-67.1	-14.9	175.4	-69.8	-55.8	0	0	0	113.9	E86 T269 R303 N304 G328 A329 T337 V338	E86-H331 IonicContact OE1-CD2 3.78Å; E86-H331 PolarHBondContact OE1-CD2 2.97Å; E86-H331 IonicContact OE1-NE2 3.69Å; E86-H331 PolarHBondContact OE1-NE2 2.98Å; T269-H331 VanDerWaalsContact CG2-CD2 3.41Å; T269-H331 WeakPolarHBondContact CG2-CD2 3.39Å; T269-H331 VanDerWaalsContact CG2-CE1 3.46Å; T269-H331 WeakPolarHBondContact CG2-CE1 3.36Å; T269-H331 WeakPolarHBondContact CG2-NE2 3.38Å; R303-H331 PolarHBondContact NH1-NE2 2.63Å; N304-H331 PolarHBondContact OD1-ND1 3.2Å; G328-H331 WeakPolarHBondContact O-CB 3.44Å; G328-H331 PolarHBondContact O-CD2 3.19Å; G328-H331 PolarHBondContact O-N 3.34Å; A329-H331 PolarHBondContact O-N 3.36Å; H331-T337 WeakPolarHBondContact O-CA 3.48Å; H331-T337 VanDerWaalsContact O-CB 3.28Å; H331-T337 WeakPolarHBondContact O-CB 3.29Å; H331-V338 HydrophobicContact CB-CG2 4.07Å; H331-V338 PolarHBondContact O-N 3.14Å
332	F	94.3	Very high	95.3	Very high	9 Å²	9	18.5 Å²	18.5	4%	0.039	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-112.1	-5.4	-177.6	-52.5	-57.5	0	0	0	113.8	W44 F54 Y55 F327 A329 G330 V338 I339	W44-F332 HydrophobicContact CE3-CB 4.26Å; W44-F332 HydrophobicContact CE3-CD2 4.27Å; W44-F332 HydrophobicContact CE3-CG 4.16Å; W44-F332 HydrophobicContact CH2-CB 3.66Å; W44-F332 HydrophobicContact CH2-CD2 4.33Å; W44-F332 HydrophobicContact CH2-CG 4.26Å; W44-F332 HydrophobicContact CZ2-CB 3.96Å; W44-F332 HydrophobicContact CZ3-CB 3.8Å; W44-F332 AromaticContact CZ3-CD2 3.75Å; W44-F332 HydrophobicContact CZ3-CD2 3.75Å; W44-F332 AromaticContact CZ3-CG 3.88Å; W44-F332 HydrophobicContact CZ3-CG 3.88Å; F54-F332 HydrophobicContact CB-CD1 4.27Å; F54-F332 HydrophobicContact CB-CE1 3.6Å; F54-F332 HydrophobicContact CB-CE2 4.48Å; F54-F332 HydrophobicContact CB-CZ 3.72Å; F54-F332 AromaticContact CD1-CE1 3.6Å; F54-F332 HydrophobicContact CD1-CE1 3.6Å; F54-F332 AromaticContact CD1-CZ 3.88Å; F54-F332 HydrophobicContact CD1-CZ 3.88Å; F54-F332 HydrophobicContact CD2-CE1 4.32Å; F54-F332 HydrophobicContact CE1-CE1 4.35Å; F54-F332 HydrophobicContact CG-CD1 4.41Å; F54-F332 AromaticContact CG-CE1 3.6Å; F54-F332 HydrophobicContact CG-CE1 3.6Å; F54-F332 HydrophobicContact CG-CZ 4.05Å; Y55-F332 WeakPolarHBondContact O-CE2 3.25Å; F327-F332 HydrophobicContact CB-CE2 3.95Å; F327-F332 HydrophobicContact CB-CZ 3.75Å; F327-F332 HydrophobicContact CD2-CE1 4.04Å; F327-F332 AromaticContact CD2-CZ 3.58Å; F327-F332 HydrophobicContact CD2-CZ 3.58Å; F327-F332 HydrophobicContact CG-CZ 4.03Å; A329-F332 PolarHBondContact O-N 2.73Å; A329-F332 VanDerWaalsContact O-N 3.13Å; G330-F332 PolarHBondContact O-N 2.85Å; F332-V338 HydrophobicContact CD1-CB 4.44Å; F332-V338 HydrophobicContact CE1-CB 4.22Å; F332-V338 HydrophobicContact CE1-CG1 4.5Å; F332-I339 HydrophobicContact CB-CD1 3.91Å; F332-I339 HydrophobicContact CD1-CD1 3.9Å; F332-I339 HydrophobicContact CD1-CG1 3.96Å; F332-I339 HydrophobicContact CG-CD1 4.29Å
333	L	90.3	Very high	95.4	Very high	15 Å²	15	23.9 Å²	23.9	8%	0.079	13%	0.129	C	C	.	.	S	Bend	trans	-116.3	134.1	-171.6	-61.3	-178.5	0	0	0	112.9	F42 W44 L260 F265 A329 G330	F42-L333 HydrophobicContact CE1-CD1 4.11Å; W44-L333 HydrophobicContact CH2-CD2 4.42Å; W44-L333 HydrophobicContact CZ2-CD2 4.23Å; L260-L333 HydrophobicContact CB-CD1 4.45Å; L260-L333 HydrophobicContact CB-CD2 4.03Å; L260-L333 HydrophobicContact CD1-CD2 4.31Å; L260-L333 HydrophobicContact CD2-CD1 4.47Å; L260-L333 HydrophobicContact CD2-CD2 4.02Å; L260-L333 HydrophobicContact CG-CD2 4.34Å; F265-L333 HydrophobicContact CB-CD1 4.02Å; F265-L333 HydrophobicContact CD2-CD1 3.35Å; F265-L333 HydrophobicContact CE2-CD1 4.09Å; F265-L333 HydrophobicContact CG-CD1 3.87Å; A329-L333 WeakPolarHBondContact O-CG 3.42Å; G330-L333 PolarHBondContact O-N 3.32Å
334	G	88.6	Confident	95.3	Very high	44 Å²	44	30.9 Å²	30.9	45%	0.454	17%	0.166	S	C	.	.	S	Bend	trans	93.7	-144.5	-176.9	0	0	0	0	0	112.1	T337	G334-T337 WeakPolarHBondContact O-CG2 3.2Å
335	N	89.4	Confident	95.1	Very high	129 Å²	129	34.9 Å²	34.9	69%	0.69	19%	0.185	S	C	*	.	S	Bend	trans	-109.9	155.9	-178.1	-60.5	-15.7	0	0	0	110.3	T337	N335-T337 VanDerWaalsContact C-N 3.29Å
336	N	92.3	Very high	95	Very high	101 Å²	101	38.3 Å²	38.3	54%	0.54	22%	0.22	S	C	.	.	S	Bend	trans	62.8	38.5	-179.4	-55.3	83.5	0	0	0	111.8	Y301 N304 D340	Y301-N336 HydrophobicContact CD1-CB 3.85Å; Y301-N336 HydrophobicContact CE1-CB 3.89Å; N304-N336 WeakPolarHBondContact CB-O 3.22Å; N304-N336 PolarHBondContact ND2-O 2.79Å; N336-D340 PolarHBondContact N-OD2 2.78Å
337	T	95.9	Very high	94.9	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.025	23%	0.228	C	C	.	.			trans	-77.8	166.1	179.6	64	0	0	0	0	111.3	H331 G334 N335 I339 D340 V341	H331-T337 WeakPolarHBondContact O-CA 3.48Å; H331-T337 VanDerWaalsContact O-CB 3.28Å; H331-T337 WeakPolarHBondContact O-CB 3.29Å; G334-T337 WeakPolarHBondContact O-CG2 3.2Å; N335-T337 VanDerWaalsContact C-N 3.29Å; T337-I339 PolarHBondContact O-N 3.1Å; T337-I339 PolarHBondContact OG1-N 2.77Å; T337-D340 PolarHBondContact N-OD2 3.12Å; T337-D340 PolarHBondContact O-N 2.95Å; T337-D340 VanDerWaalsContact O-N 3.12Å; T337-D340 PolarHBondContact OG1-N 2.9Å; T337-D340 VanDerWaalsContact OG1-N 3.09Å; T337-D340 PolarHBondContact OG1-OD2 2.84Å; T337-V341 WeakPolarHBondContact O-CG2 3.47Å; T337-V341 PolarHBondContact O-N 2.77Å; T337-V341 VanDerWaalsContact O-N 3.13Å
338	V	97.6	Very high	94.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.9	-34.9	170.2	175	0	0	0	0	110.9	F54 N304 M307 F327 H331 F332 V341 L342	F54-V338 HydrophobicContact CE1-CG1 3.86Å; F54-V338 HydrophobicContact CZ-CG1 3.78Å; N304-V338 HydrophobicContact CB-CG2 4.15Å; M307-V338 HydrophobicContact CB-CG2 4Å; M307-V338 HydrophobicContact SD-CG2 4.4Å; F327-V338 HydrophobicContact CE2-CG1 4.5Å; H331-V338 HydrophobicContact CB-CG2 4.07Å; H331-V338 PolarHBondContact O-N 3.14Å; F332-V338 HydrophobicContact CD1-CB 4.44Å; F332-V338 HydrophobicContact CE1-CB 4.22Å; F332-V338 HydrophobicContact CE1-CG1 4.5Å; V338-V341 PolarHBondContact O-N 3.38Å; V338-L342 HydrophobicContact CG1-CD1 4.01Å; V338-L342 VanDerWaalsContact O-CD1 3.3Å; V338-L342 WeakPolarHBondContact O-CD1 3.31Å; V338-L342 PolarHBondContact O-N 2.84Å
339	I	97.2	Very high	95	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-44.9	176.5	-66.1	164.1	0	0	0	110.9	W44 F54 F332 T337 V341 L342 R343 V349	W44-I339 HydrophobicContact CB-CD1 4.38Å; W44-I339 VanDerWaalsContact CD1-CD1 3.49Å; W44-I339 HydrophobicContact CD2-CD1 3.83Å; W44-I339 HydrophobicContact CG-CD1 3.66Å; F54-I339 HydrophobicContact CD2-CG1 4.2Å; F54-I339 HydrophobicContact CE2-CG1 4.47Å; F332-I339 HydrophobicContact CB-CD1 3.91Å; F332-I339 HydrophobicContact CD1-CD1 3.9Å; F332-I339 HydrophobicContact CD1-CG1 3.96Å; F332-I339 HydrophobicContact CG-CD1 4.29Å; T337-I339 PolarHBondContact O-N 3.1Å; T337-I339 PolarHBondContact OG1-N 2.77Å; I339-V341 VanDerWaalsContact C-N 3.3Å; I339-V341 PolarHBondContact O-N 3.12Å; I339-L342 PolarHBondContact O-N 2.92Å; I339-R343 HydrophobicContact CG2-CG 4.33Å; I339-R343 WeakPolarHBondContact O-CB 3.21Å; I339-R343 WeakPolarHBondContact O-CG 3.35Å; I339-R343 PolarHBondContact O-N 2.77Å; I339-V349 HydrophobicContact CG1-CG1 4.14Å; I339-V349 HydrophobicContact CG2-CB 3.99Å; I339-V349 HydrophobicContact CG2-CG1 3.94Å
340	D	97.2	Very high	95	Very high	48 Å²	48	49.8 Å²	49.8	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-41.2	178.4	-60	-39.4	0	0	0	111.1	N336 T337 L342 R343 L344	N336-D340 PolarHBondContact N-OD2 2.78Å; T337-D340 PolarHBondContact N-OD2 3.12Å; T337-D340 PolarHBondContact O-N 2.95Å; T337-D340 VanDerWaalsContact O-N 3.12Å; T337-D340 PolarHBondContact OG1-N 2.9Å; T337-D340 VanDerWaalsContact OG1-N 3.09Å; T337-D340 PolarHBondContact OG1-OD2 2.84Å; D340-L342 PolarHBondContact O-N 3.21Å; D340-R343 PolarHBondContact O-N 2.86Å; D340-R343 IonicContact OD1-NH1 2.77Å; D340-L344 VanDerWaalsContact O-CG 3.29Å; D340-L344 WeakPolarHBondContact O-CG 3.41Å; D340-L344 PolarHBondContact O-N 3.04Å
341	V	97.5	Very high	95.1	Very high	23 Å²	23	52.5 Å²	52.5	14%	0.139	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-46.4	175.6	177.7	0	0	0	0	110.7	T337 V338 I339 L344 Q345	T337-V341 WeakPolarHBondContact O-CG2 3.47Å; T337-V341 PolarHBondContact O-N 2.77Å; T337-V341 VanDerWaalsContact O-N 3.13Å; V338-V341 PolarHBondContact O-N 3.38Å; I339-V341 VanDerWaalsContact C-N 3.3Å; I339-V341 PolarHBondContact O-N 3.12Å; V341-L344 PolarHBondContact O-N 2.71Å; V341-Q345 VanDerWaalsContact O-CG 3.3Å; V341-Q345 WeakPolarHBondContact O-CG 3.31Å; V341-Q345 PolarHBondContact O-N 3.5Å
342	L	97.6	Very high	94.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-40	177.8	-96.8	82.8	0	0	0	113.1	I46 F54 V311 L315 V338 I339 D340 L344 Q345 G346 Y347 V349	I46-L342 HydrophobicContact CD1-CD2 4.01Å; F54-L342 HydrophobicContact CE2-CD1 4.35Å; F54-L342 HydrophobicContact CE2-CD2 3.77Å; F54-L342 HydrophobicContact CZ-CD1 3.79Å; F54-L342 HydrophobicContact CZ-CD2 3.65Å; F54-L342 HydrophobicContact CZ-CG 4.3Å; V311-L342 HydrophobicContact CB-CD1 4.17Å; V311-L342 HydrophobicContact CG1-CD1 4.1Å; V311-L342 HydrophobicContact CG1-CD2 3.99Å; L315-L342 HydrophobicContact CD1-CD2 3.87Å; V338-L342 HydrophobicContact CG1-CD1 4.01Å; V338-L342 VanDerWaalsContact O-CD1 3.3Å; V338-L342 WeakPolarHBondContact O-CD1 3.31Å; V338-L342 PolarHBondContact O-N 2.84Å; I339-L342 PolarHBondContact O-N 2.92Å; D340-L342 PolarHBondContact O-N 3.21Å; L342-L344 VanDerWaalsContact C-N 3.32Å; L342-L344 PolarHBondContact O-N 2.98Å; L342-Q345 CarbonylContact O-C 3.56Å; L342-Q345 WeakPolarHBondContact O-CA 3.43Å; L342-Q345 WeakPolarHBondContact O-CB 3.31Å; L342-Q345 PolarHBondContact O-N 2.81Å; L342-G346 PolarHBondContact O-N 2.95Å; L342-Y347 HydrophobicContact CD2-CG 4.36Å; L342-Y347 PolarHBondContact O-N 3.45Å; L342-V349 HydrophobicContact CB-CG2 4.22Å; L342-V349 HydrophobicContact CD2-CG2 4.39Å
343	R	97.6	Very high	94.6	Very high	120 Å²	120	54.9 Å²	54.9	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-41.1	176.8	-75.1	172.4	176	162.8	-3.8	111.7	I339 D340 Q345 G346 Y347 V349	I339-R343 HydrophobicContact CG2-CG 4.33Å; I339-R343 WeakPolarHBondContact O-CB 3.21Å; I339-R343 WeakPolarHBondContact O-CG 3.35Å; I339-R343 PolarHBondContact O-N 2.77Å; D340-R343 PolarHBondContact O-N 2.86Å; D340-R343 IonicContact OD1-NH1 2.77Å; R343-Q345 PolarHBondContact O-N 2.7Å; R343-G346 PolarHBondContact O-N 3.01Å; R343-Y347 WeakPolarHBondContact CA-O 3.17Å; R343-V349 PolarHBondContact NE-O 3.42Å; R343-V349 PolarHBondContact NH2-O 3.49Å
344	L	96.8	Very high	94.4	Very high	147 Å²	147	54.3 Å²	54.3	77%	0.77	30%	0.299	S	S	*	.	H	α-helix	trans	-62.2	-22.9	172.9	-72.4	171	0	0	0	113.1	D340 V341 L342 G346	D340-L344 VanDerWaalsContact O-CG 3.29Å; D340-L344 WeakPolarHBondContact O-CG 3.41Å; D340-L344 PolarHBondContact O-N 3.04Å; V341-L344 PolarHBondContact O-N 2.71Å; L342-L344 VanDerWaalsContact C-N 3.32Å; L342-L344 PolarHBondContact O-N 2.98Å; L344-G346 VanDerWaalsContact C-N 3.33Å
345	Q	95.1	Very high	94	Very high	87 Å²	87	55 Å²	55	41%	0.407	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8.1	175.8	-60.7	-65.3	-52.7	0	0	113	K312 V341 L342 R343 Y347	K312-Q345 HydrophobicContact CD-CB 3.94Å; K312-Q345 HydrophobicContact CD-CG 3.88Å; V341-Q345 VanDerWaalsContact O-CG 3.3Å; V341-Q345 WeakPolarHBondContact O-CG 3.31Å; V341-Q345 PolarHBondContact O-N 3.5Å; L342-Q345 CarbonylContact O-C 3.56Å; L342-Q345 WeakPolarHBondContact O-CA 3.43Å; L342-Q345 WeakPolarHBondContact O-CB 3.31Å; L342-Q345 PolarHBondContact O-N 2.81Å; R343-Q345 PolarHBondContact O-N 2.7Å; Q345-Y347 HydrophobicContact CB-CD2 4.42Å
346	G	95.6	Very high	93.8	Very high	72 Å²	72	53.6 Å²	53.6	74%	0.742	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	4.9	174.9	0	0	0	0	0	115.3	L342 R343 L344	L342-G346 PolarHBondContact O-N 2.95Å; R343-G346 PolarHBondContact O-N 3.01Å; L344-G346 VanDerWaalsContact C-N 3.33Å
347	Y	97.1	Very high	93.3	Very high	45 Å²	45	54.2 Å²	54.2	18%	0.176	30%	0.304	C	S	.	.			trans	-82.4	133.6	174.2	-74.1	-93.4	0	0	0	111.3	I46 K312 L315 L342 R343 Q345	I46-Y347 HydrophobicContact CG2-CD1 3.75Å; I46-Y347 HydrophobicContact CG2-CG 4.44Å; K312-Y347 HydrophobicContact CG-CE2 4.01Å; L315-Y347 HydrophobicContact CB-CE1 4.31Å; L315-Y347 HydrophobicContact CD1-CD1 4.31Å; L315-Y347 HydrophobicContact CD1-CE1 3.97Å; L342-Y347 HydrophobicContact CD2-CG 4.36Å; L342-Y347 PolarHBondContact O-N 3.45Å; R343-Y347 WeakPolarHBondContact CA-O 3.17Å; Q345-Y347 HydrophobicContact CB-CD2 4.42Å
348	E	97.3	Very high	92.9	Very high	107 Å²	107	54.5 Å²	54.5	50%	0.5	31%	0.306	S	S	.	.			trans	-83.9	120.3	168.5	-170.7	-171.8	142.9	0	0	109.1	K47 E350	K47-E348 HydrophobicContact CB-CB 4.03Å; K47-E348 WeakPolarHBondContact CE-OE1 3.3Å; K47-E348 HydrophobicContact CG-CB 3.9Å; K47-E348 HydrophobicContact CG-CG 3.86Å; K47-E348 PolarHBondContact N-O 3.33Å; E348-E350 HydrophobicContact CG-CG 4.45Å
349	V	97	Very high	91.8	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.2	-179.5	-174	0	0	0	0	108.7	W44 T45 I46 F54 I339 L342 R343	W44-V349 HydrophobicContact CB-CG1 3.98Å; T45-V349 WeakPolarHBondContact O-CA 3.13Å; I46-V349 HydrophobicContact CG1-CG1 4.41Å; I46-V349 HydrophobicContact CG1-CG2 4.21Å; I46-V349 HydrophobicContact CG2-CG2 4.34Å; F54-V349 HydrophobicContact CD2-CG1 4.1Å; F54-V349 HydrophobicContact CE2-CG1 4.34Å; I339-V349 HydrophobicContact CG1-CG1 4.14Å; I339-V349 HydrophobicContact CG2-CB 3.99Å; I339-V349 HydrophobicContact CG2-CG1 3.94Å; L342-V349 HydrophobicContact CB-CG2 4.22Å; L342-V349 HydrophobicContact CD2-CG2 4.39Å; R343-V349 PolarHBondContact NE-O 3.42Å; R343-V349 PolarHBondContact NH2-O 3.49Å
350	E	93.9	Very high	90.1	Very high	88 Å²	88	73.1 Å²	73.1	41%	0.411	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.8	-176.2	-63.9	-169.8	144.3	0	0	111.3	W44 T45 K47 E348	W44-E350 CarbonylContact C-O 3.59Å; W44-E350 WeakPolarHBondContact CA-O 3.32Å; T45-E350 PolarHBondContact N-O 2.85Å; T45-E350 PolarHBondContact O-N 3.38Å; K47-E350 VanDerWaalsContact CE-CD 3.42Å; K47-E350 WeakPolarHBondContact CE-OE2 3.33Å; K47-E350 IonicContact NZ-OE2 3.79Å; K47-E350 PolarHBondContact NZ-OE2 2.91Å; E348-E350 HydrophobicContact CG-CG 4.45Å
351	H	92.2	Very high	88.2	Confident	56 Å²	56	79.1 Å²	79.1	26%	0.259	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	138.3	168.2	179.1	-105.1	0	0	0	109.7	S41 L43 W44 P353	S41-H351 PolarHBondContact O-NE2 2.9Å; S41-H351 PolarHBondContact OG-NE2 2.69Å; L43-H351 PolarHBondContact O-CD2 3.02Å; W44-H351 VanDerWaalsContact CD1-CA 3.43Å; W44-H351 AromaticContact CE2-CD2 3.81Å; W44-H351 AromaticContact NE1-CD2 3.73Å; H351-P353 VanDerWaalsContact O-CD 3.22Å; H351-P353 WeakPolarHBondContact O-CD 3.03Å
352	T	91.4	Very high	85.7	Confident	9 Å²	9	82.1 Å²	82.1	6%	0.055	42%	0.417	C	S	.	.			trans	-112.6	90.1	-176.1	-55.3	0	0	0	0	110.1	S41 L43 T45	S41-T352 WeakPolarHBondContact CB-O 3.03Å; S41-T352 PolarHBondContact OG-O 3.4Å; L43-T352 HydrophobicContact CD2-CG2 3.8Å; L43-T352 PolarHBondContact O-N 2.87Å; T45-T352 WeakPolarHBondContact CB-OG1 3.3Å; T45-T352 PolarHBondContact N-OG1 2.88Å; T45-T352 PolarHBondContact OG1-OG1 3.26Å
353	P	88.6	Confident	83.1	Confident	51 Å²	51	87.5 Å²	87.5	33%	0.331	45%	0.454	S	S	.	.			trans	-42.9	148.6	-179.1	-31.2	29.1	0	0	0	115.3	N72 H351 G355 Q356	N72-P353 PolarHBondContact ND2-O 3.24Å; H351-P353 VanDerWaalsContact O-CD 3.22Å; H351-P353 WeakPolarHBondContact O-CD 3.03Å; P353-G355 PolarHBondContact O-N 3.3Å; P353-Q356 HydrophobicContact CB-CB 4.43Å; P353-Q356 VanDerWaalsContact CD-OE1 3.28Å; P353-Q356 WeakPolarHBondContact O-CB 3.5Å; P353-Q356 PolarHBondContact O-N 2.78Å
354	A	86.2	Confident	80.1	Confident	3 Å²	3	86.4 Å²	86.4	3%	0.025	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	137.9	175.6	0	0	0	0	0	111.1	Q36 A37 L39 P70 Q356	Q36-A354 WeakPolarHBondContact O-CB 3.44Å; A37-A354 WeakPolarHBondContact CA-O 3.44Å; L39-A354 VanDerWaalsContact O-CB 3.23Å; L39-A354 WeakPolarHBondContact O-CB 3.47Å; P70-A354 HydrophobicContact CB-CB 3.94Å; P70-A354 HydrophobicContact CG-CB 3.63Å; A354-Q356 PolarHBondContact O-N 3.3Å; A354-Q356 VanDerWaalsContact O-N 3.14Å
355	G	80.6	Confident	77.1	Confident	59 Å²	59	88.6 Å²	88.6	61%	0.608	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-4.8	178.5	0	0	0	0	0	115.6	N72 P353	N72-G355 PolarHBondContact OD1-N 3.43Å; P353-G355 PolarHBondContact O-N 3.3Å
356	Q	84.4	Confident	74.3	Confident	99 Å²	99	90.2 Å²	90.2	46%	0.463	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-69.9	129	170.7	-170.2	176.3	10.1	0	0	109.8	N72 P353 A354 I358	N72-Q356 VanDerWaalsContact CB-O 3.29Å; N72-Q356 WeakPolarHBondContact CB-O 3.47Å; N72-Q356 PolarHBondContact ND2-O 3.48Å; P353-Q356 HydrophobicContact CB-CB 4.43Å; P353-Q356 VanDerWaalsContact CD-OE1 3.28Å; P353-Q356 WeakPolarHBondContact O-CB 3.5Å; P353-Q356 PolarHBondContact O-N 2.78Å; A354-Q356 PolarHBondContact O-N 3.3Å; A354-Q356 VanDerWaalsContact O-N 3.14Å; Q356-I358 PolarHBondContact O-N 3Å
357	P	83.4	Confident	71.3	Confident	113 Å²	113	91.6 Å²	91.6	73%	0.734	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-60.7	132.2	176.6	-21.9	32.2	0	0	0	111.3
358	I	86.3	Confident	68.3	Low	11 Å²	11	94.7 Å²	94.7	6%	0.056	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-76.7	144.1	171.2	60.5	175.9	0	0	0	110.3	Y53 N72 Q75 A76 E79 Q356 R360	Y53-I358 HydrophobicContact CE1-CG2 4.34Å; N72-I358 HydrophobicContact CB-CG2 4.32Å; Q75-I358 HydrophobicContact CB-CD1 3.77Å; Q75-I358 HydrophobicContact CG-CD1 3.64Å; Q75-I358 HydrophobicContact CG-CG1 4.23Å; A76-I358 HydrophobicContact CB-CD1 4.13Å; E79-I358 WeakPolarHBondContact OE2-CD1 3.09Å; Q356-I358 PolarHBondContact O-N 3Å; I358-R360 PolarHBondContact O-N 3.3Å
359	R	74	Confident	65.5	Low	207 Å²	207	96 Å²	96	78%	0.781	54%	0.537	S	S	*	.			trans	-63.7	110.2	176.5	-82.8	-169.6	171.7	-168.2	-0.8	109.3
360	R	62.6	Low	62.3	Low	187 Å²	187	99.8 Å²	99.8	71%	0.706	57%	0.569	S	S	*	*			trans	-66.8	143.8	172.6	-73.1	-174.1	172.7	171	1.9	110.2	I358 S362	I358-R360 PolarHBondContact O-N 3.3Å; R360-S362 PolarHBondContact O-N 3.39Å
361	R	56.5	Low	59.3	Low	174 Å²	174	103.4 Å²	103.4	66%	0.657	59%	0.59	S	S	*	*			trans	-48.7	116.6	164.8	-166.7	175.6	-173.4	180	2.9	108	S363	R361-S363 PolarHBondContact O-N 3.42Å
362	S	45	Very low	56.2	Low	86 Å²	86	109.5 Å²	109.5	60%	0.601	62%	0.619	S	S	*	*			trans	-65	108.9	172.8	84.7	0	0	0	0	106.3	R360 S364	R360-S362 PolarHBondContact O-N 3.39Å; S362-S364 PolarHBondContact O-N 3.07Å
363	S	43.3	Very low	53.1	Low	113 Å²	113	115.6 Å²	115.6	79%	0.79	65%	0.651	S	S	*	*			trans	-78.1	70.5	167.1	45.2	0	0	0	0	107.4	R361 K365	R361-S363 PolarHBondContact O-N 3.42Å; S363-K365 PolarHBondContact O-N 3.04Å
364	S	35.8	Very low	50.3	Low	98 Å²	98	121.7 Å²	121.7	69%	0.685	68%	0.675	S	S	*	*			trans	-71.3	77.7	162.6	45.6	0	0	0	0	107.9	S362 P366	S362-S364 PolarHBondContact O-N 3.07Å; S364-P366 WeakPolarHBondContact O-CD 3.23Å
365	K	32.3	Very low	47.5	Very low	193 Å²	193	129.3 Å²	129.3	84%	0.839	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-69.2	121.3	154	-83.2	-173.8	174.1	-175.8	0	106.6	S363	S363-K365 PolarHBondContact O-N 3.04Å
366	P	36.9	Very low	44.9	Very low	120 Å²	120	134.3 Å²	134.3	78%	0.779	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-63.9	137.3	158.5	-10.7	27.2	0	0	0	107.8	S364	S364-P366 WeakPolarHBondContact O-CD 3.23Å
367	A	33.4	Very low	42.1	Very low	101 Å²	101	135.5 Å²	135.5	84%	0.835	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-55.2	140.2	174.1	0	0	0	0	0	110.9
368	S	32.2	Very low	39.6	Very low	111 Å²	111	140.2 Å²	140.2	78%	0.776	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-56	171.7	-176	-39.7	0	0	0	0	114.3
369	P	40.2	Very low	36.7	Very low	133 Å²	133	144.8 Å²	144.8	86%	0.864	77%	0.77	S	S	*	*				-127.5	164.3	107.8	21.6	-3.7	0	0	0	112.7
370	A	29.8	Very low	34.6	Very low	83 Å²	83	143.4 Å²	143.4	69%	0.686	78%	0.777	S	S	*	*			trans	-78.5	170.2	-163.1	0	0	0	0	0	114.9
371	L	29.6	Very low	32.8	Very low	164 Å²	164	141.9 Å²	141.9	86%	0.859	78%	0.782	S	S	*	*			trans	82.2	106.8	162.3	-54.5	166	0	0	0	115.7
372	E	26.6	Very low	31.4	Very low	185 Å²	185	141.8 Å²	141.8	86%	0.864	79%	0.789	S	S	*	*				-160.8	140.1	100.5	-100.2	172.1	-169.3	0	0	110.5
373	D	27.7	Very low	30.4	Very low	136 Å²	136	143.5 Å²	143.5	73%	0.727	80%	0.798	S	S	*	*			trans	-92.8	119.3	-171.3	-170.5	19.1	0	0	0	108
374	H	30.1	Very low	29.5	Very low	180 Å²	180	147 Å²	147	83%	0.833	80%	0.799	S	S	*	*			trans	-143.6	100.3	162.7	-83.9	-57.2	0	0	0	109.6
375	Q	27.2	Very low	28.9	Very low	163 Å²	163	149.2 Å²	149.2	76%	0.762	80%	0.803	S	S	*	*			trans	-59.7	139.7	152.6	-75.6	170.3	-25.2	0	0	109.8
376	D	26.5	Very low	28.6	Very low	163 Å²	163	148.2 Å²	148.2	87%	0.872	80%	0.801	S	S	*	*			trans	155.1	140.5	149	-81.3	-13.2	0	0	0	107.4
377	D	25.3	Very low	27.9	Very low	125 Å²	125	149.4 Å²	149.4	67%	0.668	80%	0.801	S	S	*	*			cis	-165	140.4	-14.5	177.3	19.9	0	0	0	103.3	T379	D377-T379 PolarHBondContact O-N 3.43Å
378	F	30.1	Very low	27.6	Very low	211 Å²	211	151.9 Å²	151.9	93%	0.925	80%	0.798	S	S	*	*			trans	-77	102.7	175.3	-104.5	-93.9	0	0	0	108
379	T	25.7	Very low	27.4	Very low	107 Å²	107	152.3 Å²	152.3	66%	0.656	80%	0.799	S	S	*	*			trans	-117.1	111.9	167.8	29.8	0	0	0	0	111.5	D377 L381	D377-T379 PolarHBondContact O-N 3.43Å; T379-L381 PolarHBondContact O-N 2.88Å
380	L	30	Very low	26.5	Very low	178 Å²	178	153.9 Å²	153.9	93%	0.932	79%	0.794	S	S	*	*			trans	-48.9	125.2	159.8	-86.9	137.8	0	0	0	109.8
381	L	24.6	Very low	26.3	Very low	155 Å²	155	158.9 Å²	158.9	81%	0.812	81%	0.806	S	S	*	*			trans	-114	122	166.2	-75.7	169.1	0	0	0	109.6	T379	T379-L381 PolarHBondContact O-N 2.88Å
382	E	26.5	Very low	26	Very low	173 Å²	173	159.8 Å²	159.8	81%	0.808	81%	0.805	S	S	*	*			trans	-61.2	161.8	172.3	-87.2	-168	147	0	0	113.1	F384	E382-F384 PolarHBondContact O-N 2.93Å
383	P	25.2	Very low	25.8	Very low	122 Å²	122	154.4 Å²	154.4	79%	0.792	80%	0.8	S	S	*	*			trans	-75.6	123.8	-175.6	-5.3	23.5	0	0	0	111.5	L385	P383-L385 PolarHBondContact O-N 3.17Å
384	F	23.3	Very low	25.6	Very low	185 Å²	185	156 Å²	156	81%	0.811	81%	0.808	S	S	*	*			trans	-75.4	107.1	168.1	-83.3	-88.3	0	0	0	110.7	E382	E382-F384 PolarHBondContact O-N 2.93Å
385	L	23.9	Very low	25.3	Very low	145 Å²	145	156.6 Å²	156.6	76%	0.759	81%	0.811	S	S	*	*			trans	-64.8	129	154.8	-107	136.1	0	0	0	109.4	P383	P383-L385 PolarHBondContact O-N 3.17Å
386	H	25.6	Very low	25.1	Very low	172 Å²	172	152 Å²	152	80%	0.796	81%	0.809	S	S	*	*			trans	-133.7	136.2	158.2	-91.7	1.3	0	0	0	111.4
387	D	23.4	Very low	25	Very low	145 Å²	145	151.4 Å²	151.4	78%	0.775	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.6	150.4	-165.9	-64.9	-60.1	0	0	0	113.6
388	I	26	Very low	24.8	Very low	153 Å²	153	152.9 Å²	152.9	79%	0.785	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-90	130.4	168.6	-61.3	172	0	0	0	107.7
389	P	27.2	Very low	24.5	Very low	121 Å²	121	152 Å²	152	79%	0.786	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76.8	128	167.7	-6.5	23.4	0	0	0	110.7
390	H	22.7	Very low	24.4	Very low	165 Å²	165	155.3 Å²	155.3	76%	0.764	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-54	142.6	163.7	-83.6	-99.9	0	0	0	112.9
391	M	24.8	Very low	24.2	Very low	189 Å²	189	155.5 Å²	155.5	93%	0.931	82%	0.82	S	S	*	*			trans	-139	109.5	141.9	-81	-67.5	168	0	0	108.4
392	E	23.4	Very low	24.3	Very low	182 Å²	182	155.4 Å²	155.4	85%	0.85	82%	0.821	S	S	*	*			trans	-66	155.9	156.1	-63.8	171	148.1	0	0	108.3
393	G	23.1	Very low	24.4	Very low	73 Å²	73	152 Å²	152	75%	0.753	81%	0.813	S	S	*	*			cis	171.4	154.7	2.3	0	0	0	0	0	106.3
394	D	24.1	Very low	24.5	Very low	169 Å²	169	152.4 Å²	152.4	90%	0.904	81%	0.808	S	S	*	*			trans	-154.6	134.4	147	-151.9	8.1	0	0	0	110.1
395	Q	23.2	Very low	24.9	Very low	192 Å²	192	149.3 Å²	149.3	90%	0.897	81%	0.806	S	S	*	*			trans	-96.3	144.6	-178.2	-73.2	177.4	-0.9	0	0	109.7
396	G	23.5	Very low	25	Very low	68 Å²	68	149.7 Å²	149.7	70%	0.701	80%	0.804	S	S	*	*			trans	-168.1	72.9	176.8	0	0	0	0	0	116
397	V	23.3	Very low	25	Very low	149 Å²	149	150.2 Å²	150.2	90%	0.903	81%	0.809	S	S	*	*			trans	74.6	128.1	141.6	-172.7	0	0	0	0	120.2
398	L	22	Very low	25.2	Very low	157 Å²	157	151.4 Å²	151.4	82%	0.822	81%	0.814	S	S	*	*			trans	-65.9	145	172.7	-68.2	147.7	0	0	0	113.4
399	Q	23.9	Very low	25.4	Very low	193 Å²	193	152 Å²	152	90%	0.902	82%	0.818	S	S	*	*			trans	-153.2	111	139.5	-148	156.2	27.3	0	0	111.2
400	E	23.1	Very low	25.6	Very low	176 Å²	176	151.3 Å²	151.3	82%	0.822	81%	0.814	S	S	*	*			trans	-68.5	152.9	156	-67.8	176.8	143.8	0	0	109.1
401	E	25.8	Very low	26.2	Very low	182 Å²	182	147.8 Å²	147.8	85%	0.85	81%	0.813	S	S	*	*			trans	-171.7	113.4	132.8	-80.7	-116.9	153.1	0	0	111.3
402	D	25.5	Very low	26.7	Very low	153 Å²	153	145.2 Å²	145.2	82%	0.818	80%	0.804	S	S	*	*			trans	59.2	147	140.1	-84.3	-6	0	0	0	127.8
403	P	29.8	Very low	27.4	Very low	101 Å²	101	140.4 Å²	140.4	66%	0.656	79%	0.79	S	S	*	*			trans	-115.6	169.9	-173.7	43.8	-30	0	0	0	116.1
404	L	26.9	Very low	28.3	Very low	131 Å²	131	143.5 Å²	143.5	69%	0.686	79%	0.788	S	S	*	*			trans	84.9	155.1	160.5	-62	178	0	0	0	118.1	H406	L404-H406 WeakPolarHBondContact CD2-NE2 3.45Å
405	P	30.9	Very low	28.9	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	77%	0.766	S	S	*	*			cis	-140.2	166.6	28.5	39.4	-17.9	0	0	0	120
406	H	28	Very low	29.7	Very low	154 Å²	154	136 Å²	136	71%	0.713	75%	0.754	S	S	*	*			trans	-46.4	136.4	172.8	-48.5	-77.2	0	0	0	115	L404	L404-H406 WeakPolarHBondContact CD2-NE2 3.45Å
407	M	25.3	Very low	30.6	Very low	182 Å²	182	138.3 Å²	138.3	90%	0.897	75%	0.749	S	S	*	*			trans	-112.8	107.2	165.7	-145.8	-179.1	-60	0	0	109.4
408	L	26.2	Very low	31.4	Very low	170 Å²	170	135.1 Å²	135.1	89%	0.89	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-63.3	126	171.5	-71.3	157.3	0	0	0	109.6
409	L	31.6	Very low	32.2	Very low	165 Å²	165	133.3 Å²	133.3	86%	0.864	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-88.4	145.8	169	-72.1	168.4	0	0	0	110.2
410	P	31.6	Very low	33.1	Very low	107 Å²	107	126.7 Å²	126.7	70%	0.695	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-67.8	143.6	-177.6	-15.6	29.4	0	0	0	113	D412	P410-D412 PolarHBondContact O-N 2.81Å; P410-D412 VanDerWaalsContact O-N 3.12Å
411	A	35	Very low	34.3	Very low	91 Å²	91	123 Å²	123	75%	0.752	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	0.9	-174	0	0	0	0	0	116.1
412	D	35.6	Very low	35.1	Very low	136 Å²	136	120 Å²	120	73%	0.727	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	1.5	-173.2	-69	-23	0	0	0	114.8	P410	P410-D412 PolarHBondContact O-N 2.81Å; P410-D412 VanDerWaalsContact O-N 3.12Å
413	S	37.9	Very low	35.8	Very low	80 Å²	80	120.8 Å²	120.8	56%	0.559	65%	0.651	S	S	*	*	S	Bend	trans	-91.4	-15.7	-180	-158.3	0	0	0	0	114.4
414	L	41.6	Very low	36.5	Very low	138 Å²	138	122.8 Å²	122.8	72%	0.723	65%	0.654	S	S	*	*	H	α-helix	trans	-78	-37	-179.1	-137.2	84.8	0	0	0	111.8	L416 L417 E418	L414-L416 VanDerWaalsContact C-N 3.34Å; L414-L416 PolarHBondContact O-N 3.44Å; L414-L417 PolarHBondContact O-N 3.24Å; L414-E418 PolarHBondContact O-N 3.06Å
415	D	37.3	Very low	37.2	Very low	80 Å²	80	121.2 Å²	121.2	43%	0.428	65%	0.645	S	S	.	*	H	α-helix	trans	-75.7	-23.3	-174.2	-158	38.1	0	0	0	112.6	K419	D415-K419 WeakPolarHBondContact O-CD 3.29Å; D415-K419 VanDerWaalsContact O-CG 3.26Å; D415-K419 WeakPolarHBondContact O-CG 3.11Å; D415-K419 PolarHBondContact O-N 3.34Å; D415-K419 WeakPolarHBondContact OD2-CE 3.37Å; D415-K419 IonicContact OD2-NZ 2.69Å; D415-K419 PolarHBondContact OD2-NZ 2.86Å
416	L	38.5	Very low	37.7	Very low	123 Å²	123	123.5 Å²	123.5	64%	0.644	64%	0.643	S	S	*	*	H	α-helix	trans	-77.3	-33.5	170.6	-77.2	171.8	0	0	0	112.6	L414 A420	L414-L416 VanDerWaalsContact C-N 3.34Å; L414-L416 PolarHBondContact O-N 3.44Å; L416-A420 PolarHBondContact O-N 2.92Å
417	L	42.1	Very low	38.2	Very low	117 Å²	117	123.8 Å²	123.8	61%	0.613	64%	0.642	S	S	*	*	H	α-helix	trans	-70.2	-41.2	175.4	-77	166	0	0	0	111.2	L414 K419 A420 E421	L414-L417 PolarHBondContact O-N 3.24Å; L417-K419 VanDerWaalsContact C-N 3.34Å; L417-K419 PolarHBondContact O-N 3.48Å; L417-A420 PolarHBondContact O-N 3.2Å; L417-E421 WeakPolarHBondContact O-CB 3.36Å; L417-E421 PolarHBondContact O-N 2.85Å
418	E	40.3	Very low	39.1	Very low	83 Å²	83	120.5 Å²	120.5	39%	0.388	62%	0.623	S	S	.	*	H	α-helix	trans	-66.8	-34.7	178.7	-154.8	-170.8	151.1	0	0	112.3	L414 E421 K422	L414-E418 PolarHBondContact O-N 3.06Å; E418-E421 PolarHBondContact O-N 3.19Å; E418-K422 WeakPolarHBondContact O-CG 3.4Å; E418-K422 PolarHBondContact O-N 2.78Å; E418-K422 VanDerWaalsContact OE1-CE 3.29Å; E418-K422 WeakPolarHBondContact OE1-CE 3.48Å; E418-K422 IonicContact OE1-NZ 2.83Å; E418-K422 PolarHBondContact OE1-NZ 2.75Å
419	K	40.1	Very low	39.8	Very low	119 Å²	119	123.3 Å²	123.3	52%	0.517	62%	0.622	S	S	.	*	H	α-helix	trans	-70.1	-33.8	174.4	-73.5	168.9	-166.3	157.3	0	112.3	D415 L417 K423	D415-K419 WeakPolarHBondContact O-CD 3.29Å; D415-K419 VanDerWaalsContact O-CG 3.26Å; D415-K419 WeakPolarHBondContact O-CG 3.11Å; D415-K419 PolarHBondContact O-N 3.34Å; D415-K419 WeakPolarHBondContact OD2-CE 3.37Å; D415-K419 IonicContact OD2-NZ 2.69Å; D415-K419 PolarHBondContact OD2-NZ 2.86Å; L417-K419 VanDerWaalsContact C-N 3.34Å; L417-K419 PolarHBondContact O-N 3.48Å; K419-K423 PolarHBondContact O-N 2.85Å
420	A	41.7	Very low	40.1	Very low	53 Å²	53	126.4 Å²	126.4	44%	0.438	62%	0.622	S	S	.	*	H	α-helix	trans	-70.1	-39.5	172.9	0	0	0	0	0	111.7	L416 L417 K423 M424	L416-A420 PolarHBondContact O-N 2.92Å; L417-A420 PolarHBondContact O-N 3.2Å; A420-K423 PolarHBondContact O-N 2.87Å; A420-M424 WeakPolarHBondContact O-CG 3.33Å; A420-M424 PolarHBondContact O-N 2.84Å
421	E	49.5	Very low	40.4	Very low	100 Å²	100	127.5 Å²	127.5	47%	0.467	62%	0.622	S	S	.	*	H	α-helix	trans	-62.9	-47.5	177.7	-166.6	-176.9	176.1	0	0	112.1	L417 E418 K423 M424 L425	L417-E421 WeakPolarHBondContact O-CB 3.36Å; L417-E421 PolarHBondContact O-N 2.85Å; E418-E421 PolarHBondContact O-N 3.19Å; E421-K423 VanDerWaalsContact C-N 3.3Å; E421-K423 PolarHBondContact O-N 3.44Å; E421-M424 PolarHBondContact O-N 3.43Å; E421-L425 HydrophobicContact CG-CD1 3.89Å; E421-L425 WeakPolarHBondContact O-CB 3.42Å; E421-L425 WeakPolarHBondContact O-CG 3.5Å; E421-L425 PolarHBondContact O-N 3.12Å
422	K	40.8	Very low	40.4	Very low	119 Å²	119	132.5 Å²	132.5	52%	0.517	63%	0.627	S	S	.	*	H	α-helix	trans	-63.4	-32.9	177.3	-74.1	173.4	-174.5	163	0	112.7	E418 K426	E418-K422 WeakPolarHBondContact O-CG 3.4Å; E418-K422 PolarHBondContact O-N 2.78Å; E418-K422 VanDerWaalsContact OE1-CE 3.29Å; E418-K422 WeakPolarHBondContact OE1-CE 3.48Å; E418-K422 IonicContact OE1-NZ 2.83Å; E418-K422 PolarHBondContact OE1-NZ 2.75Å; K422-K426 WeakPolarHBondContact O-CB 3.44Å; K422-K426 PolarHBondContact O-N 3.45Å
423	K	41.3	Very low	40.3	Very low	169 Å²	169	134.8 Å²	134.8	74%	0.735	63%	0.633	S	S	*	*	H	α-helix	trans	-71.3	-41.5	174.1	-95.2	-177.2	176	176.5	0	112.3	K419 A420 E421 K427	K419-K423 PolarHBondContact O-N 2.85Å; A420-K423 PolarHBondContact O-N 2.87Å; E421-K423 VanDerWaalsContact C-N 3.3Å; E421-K423 PolarHBondContact O-N 3.44Å; K423-K427 PolarHBondContact O-N 3.06Å; K423-K427 VanDerWaalsContact O-N 3.16Å
424	M	44.7	Very low	40.1	Very low	143 Å²	143	140.6 Å²	140.6	70%	0.704	65%	0.648	S	S	*	*	H	α-helix	trans	-66	-44.4	177.9	-74.3	-81.2	173.7	0	0	112	A420 E421 K427 K428	A420-M424 WeakPolarHBondContact O-CG 3.33Å; A420-M424 PolarHBondContact O-N 2.84Å; E421-M424 PolarHBondContact O-N 3.43Å; M424-K427 PolarHBondContact O-N 3.29Å; M424-K428 PolarHBondContact O-N 3.36Å; M424-K428 VanDerWaalsContact O-N 3.12Å
425	L	41.8	Very low	39.7	Very low	97 Å²	97	143.1 Å²	143.1	51%	0.508	65%	0.654	S	S	.	*	H	α-helix	trans	-65.1	-40.6	177.5	-75.8	160.3	0	0	0	112.7	E421 K428 R429	E421-L425 HydrophobicContact CG-CD1 3.89Å; E421-L425 WeakPolarHBondContact O-CB 3.42Å; E421-L425 WeakPolarHBondContact O-CG 3.5Å; E421-L425 PolarHBondContact O-N 3.12Å; L425-K428 PolarHBondContact O-N 3.04Å; L425-R429 PolarHBondContact O-N 3.5Å
426	K	40.8	Very low	39.6	Very low	167 Å²	167	147.6 Å²	147.6	73%	0.726	67%	0.672	S	S	*	*	H	α-helix	trans	-65.8	-35.2	175.6	-85.6	-178.1	174.2	177.5	0	112.6	K422 K428	K422-K426 WeakPolarHBondContact O-CB 3.44Å; K422-K426 PolarHBondContact O-N 3.45Å; K426-K428 VanDerWaalsContact C-N 3.35Å
427	K	39.4	Very low	39.3	Very low	161 Å²	161	146.4 Å²	146.4	70%	0.7	66%	0.663	S	S	*	*	H	α-helix	trans	-69.7	-32.3	175.4	-156	174.3	-177.5	-178.1	0	111.8	K423 M424 R430	K423-K427 PolarHBondContact O-N 3.06Å; K423-K427 VanDerWaalsContact O-N 3.16Å; M424-K427 PolarHBondContact O-N 3.29Å; K427-R430 PolarHBondContact O-N 3.47Å
428	K	43.4	Very low	39	Very low	112 Å²	112	145.6 Å²	145.6	49%	0.487	66%	0.659	S	S	.	*	H	α-helix	trans	-72.6	-33.7	178.8	-155.1	173.4	-177.3	179.9	0	113.4	S135 M424 L425 K426 R430 N431	S135-K428 PolarHBondContact OG-NZ 3.38Å; M424-K428 PolarHBondContact O-N 3.36Å; M424-K428 VanDerWaalsContact O-N 3.12Å; L425-K428 PolarHBondContact O-N 3.04Å; K426-K428 VanDerWaalsContact C-N 3.35Å; K428-R430 VanDerWaalsContact C-N 3.27Å; K428-R430 PolarHBondContact O-N 3.34Å; K428-N431 PolarHBondContact O-N 3.41Å
429	R	41.4	Very low	39.3	Very low	229 Å²	229	144.7 Å²	144.7	86%	0.864	65%	0.652	S	S	*	*	H	α-helix	trans	-65.9	-24.8	175.1	-91.2	-176.3	167.7	179.1	-2.9	113.8	L425	L425-R429 PolarHBondContact O-N 3.5Å
430	R	38.2	Very low	39.7	Very low	230 Å²	230	140 Å²	140	87%	0.868	63%	0.632	S	S	*	*	H	α-helix	trans	-84.2	-15.3	177.8	-90.7	-178.9	168	178.8	-4	114.9	K427 K428	K427-R430 PolarHBondContact O-N 3.47Å; K428-R430 VanDerWaalsContact C-N 3.27Å; K428-R430 PolarHBondContact O-N 3.34Å
431	N	37	Very low	39.7	Very low	131 Å²	131	138 Å²	138	70%	0.701	61%	0.613	S	S	*	*			trans	-106.7	14.3	-176	-91.8	5	0	0	0	114.7	K428 Q433	K428-N431 PolarHBondContact O-N 3.41Å; N431-Q433 PolarHBondContact O-N 3.14Å
432	K	35.9	Very low	39.9	Very low	195 Å²	195	133.5 Å²	133.5	85%	0.848	59%	0.593	S	S	*	*			trans	-75.6	13.5	-174.6	-143.4	-177.9	179.8	-174.8	0	115.3
433	Q	32.9	Very low	40.5	Very low	184 Å²	184	128 Å²	128	86%	0.86	57%	0.569	S	S	*	*	S	Bend	trans	-130.6	79.2	168.9	-82.8	-177.1	-16.4	0	0	109.9	N431	N431-Q433 PolarHBondContact O-N 3.14Å
434	K	32.6	Very low	40.8	Very low	203 Å²	203	120.5 Å²	120.5	88%	0.883	54%	0.537	S	S	*	.	S	Bend	trans	-171.9	117.7	149.9	-106.5	162.5	-175.7	-178.7	0	110.8
435	K	33	Very low	41.1	Very low	191 Å²	191	114.6 Å²	114.6	83%	0.83	51%	0.507	S	S	*	.			trans	29.3	116.5	160.6	-78	-178.4	170.6	-176	0	118.8	Q437	K435-Q437 PolarHBondContact O-N 3.1Å
436	Q	37.1	Very low	41.6	Very low	173 Å²	173	110.6 Å²	110.6	81%	0.808	49%	0.486	S	S	*	.			trans	-45.8	123.9	152.1	-128.1	163.1	-27.1	0	0	109.3
437	Q	31.2	Very low	42.5	Very low	99 Å²	99	103.6 Å²	103.6	46%	0.463	46%	0.455	S	S	.	.			trans	-113.6	130.9	177.4	-75.7	-178	-7.2	0	0	109.9	K435	K435-Q437 PolarHBondContact O-N 3.1Å
438	N	36.6	Very low	43	Very low	99 Å²	99	96.1 Å²	96.1	53%	0.529	42%	0.423	S	S	.	.			trans	-87.8	152	-171.2	-61.8	-13.9	0	0	0	111.8	T247 E249	T247-N438 VanDerWaalsContact CG2-C 3.44Å; T247-N438 HydrophobicContact CG2-CB 4.06Å; T247-N438 WeakPolarHBondContact CG2-O 3.41Å; E249-N438 HydrophobicContact CB-CB 4.44Å; E249-N438 HydrophobicContact CG-CB 4.27Å
439	R	46.9	Very low	43.1	Very low	65 Å²	65	91.9 Å²	91.9	25%	0.245	41%	0.405	C	S	.	.			trans	-140.1	170.8	-152.4	-53.3	-168.3	-172.3	-174.9	6.8	115.2	T175 E176 A177 T247 T248	T175-R439 VanDerWaalsContact OG1-CD 3.29Å; T175-R439 WeakPolarHBondContact OG1-CD 3.41Å; E176-R439 VanDerWaalsContact CB-CZ 3.48Å; E176-R439 IonicContact OE2-CZ 2.7Å; E176-R439 IonicContact OE2-NH2 3.7Å; E176-R439 PolarHBondContact OE2-NH2 2.85Å; A177-R439 HydrophobicContact CB-CB 3.79Å; A177-R439 HydrophobicContact CB-CG 3.92Å; T247-R439 CarbonylContact C-O 3.45Å; T247-R439 WeakPolarHBondContact CA-O 3.37Å; T247-R439 WeakPolarHBondContact CB-O 3.25Å; T248-R439 PolarHBondContact N-O 3.27Å; T248-R439 PolarHBondContact OG1-O 2.82Å
440	H	47.1	Very low	43.2	Very low	21 Å²	21	82.3 Å²	82.3	10%	0.097	37%	0.37	C	S	.	.			trans	-82.7	174.9	-159.7	-102	-40.6	0	0	0	118	Q233 V244 Y246 T248	Q233-H440 PolarHBondContact NE2-CD2 2.85Å; Q233-H440 PolarHBondContact NE2-NE2 3.22Å; V244-H440 WeakPolarHBondContact CG1-CE1 3.32Å; V244-H440 VanDerWaalsContact CG1-ND1 3.34Å; V244-H440 WeakPolarHBondContact CG1-ND1 3.36Å; V244-H440 WeakPolarHBondContact CG1-NE2 3.24Å; V244-H440 WeakPolarHBondContact CG2-CD2 3.18Å; V244-H440 VanDerWaalsContact CG2-NE2 3.31Å; V244-H440 WeakPolarHBondContact CG2-NE2 3.47Å; Y246-H440 PolarHBondContact O-CE1 2.65Å; Y246-H440 PolarHBondContact O-ND1 3.15Å; T248-H440 PolarHBondContact OG1-O 3.26Å
441	F	42.8	Very low	43.1	Very low	9 Å²	9	73.7 Å²	73.7	4%	0.039	35%	0.345	C	S	.	.			trans	-107.8	121.8	-165.1	-174.6	-94.1	0	0	0	112.9	H59 N172 L251 H267 D268 Q271	H59-F441 HydrophobicContact CB-CE2 4.35Å; H59-F441 HydrophobicContact CB-CZ 4.12Å; N172-F441 PolarHBondContact ND2-O 2.69Å; L251-F441 HydrophobicContact CD2-CD2 3.69Å; L251-F441 HydrophobicContact CD2-CE2 3.59Å; H267-F441 WeakPolarHBondContact O-CD1 3.49Å; H267-F441 WeakPolarHBondContact O-CE1 3.36Å; D268-F441 VanDerWaalsContact C-CE1 3.49Å; D268-F441 HydrophobicContact CB-CE1 4.11Å; D268-F441 HydrophobicContact CB-CE2 3.83Å; D268-F441 HydrophobicContact CB-CZ 3.56Å; D268-F441 WeakPolarHBondContact O-CE1 3.29Å; D268-F441 WeakPolarHBondContact O-CZ 3.26Å; D268-F441 WeakPolarHBondContact OD1-CE2 3.33Å; D268-F441 WeakPolarHBondContact OD1-CZ 3.46Å; Q271-F441 HydrophobicContact CB-CE1 4.47Å; Q271-F441 HydrophobicContact CG-CE1 4.22Å
442	N	53.2	Low	43.1	Very low	6 Å²	6	70.1 Å²	70.1	3%	0.032	33%	0.33	C	S	.	.			trans	175.9	91.9	158.6	-88.3	-6.7	0	0	0	108.4	L169 N172 S173 Q271 V272	L169-N442 VanDerWaalsContact CD2-ND2 3.3Å; L169-N442 WeakPolarHBondContact CD2-ND2 3.49Å; N172-N442 PolarHBondContact ND2-ND2 3.39Å; S173-N442 WeakPolarHBondContact CB-O 3.44Å; Q271-N442 WeakPolarHBondContact CA-OD1 3.24Å; Q271-N442 PolarHBondContact O-OD1 3.42Å; V272-N442 PolarHBondContact N-OD1 3.43Å
443	D	54	Low	43.2	Very low	4 Å²	4	66.3 Å²	66.3	2%	0.021	32%	0.317	C	S	.	.			trans	-122.6	-27.1	-164.6	-121.7	-12.7	0	0	0	114.3	H59 Q271 R447	H59-D443 VanDerWaalsContact O-CB 3.25Å; H59-D443 WeakPolarHBondContact O-CB 3.48Å; Q271-D443 VanDerWaalsContact OE1-N 3.14Å; D443-R447 VanDerWaalsContact CG-CZ 3.47Å; D443-R447 WeakPolarHBondContact O-CB 3.32Å; D443-R447 WeakPolarHBondContact O-CD 3.45Å; D443-R447 WeakPolarHBondContact O-CG 3.41Å; D443-R447 IonicContact OD1-CZ 2.68Å; D443-R447 VanDerWaalsContact OD1-CZ 3.23Å; D443-R447 IonicContact OD1-NE 3.83Å; D443-R447 PolarHBondContact OD1-NE 2.82Å; D443-R447 IonicContact OD1-NH2 3.62Å; D443-R447 PolarHBondContact OD1-NH2 3.19Å; D443-R447 IonicContact OD2-CZ 3.35Å; D443-R447 IonicContact OD2-NE 2.64Å; D443-R447 IonicContact OD2-NH2 3.2Å; D443-R447 PolarHBondContact OD2-NH2 3.02Å
444	L	47.4	Very low	43.5	Very low	11 Å²	11	62.3 Å²	62.3	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-73.1	-60.2	-173.6	-174.8	64.4	0	0	0	112.7	H59 L89 V186 V446 R447 I448	H59-L444 HydrophobicContact CB-CB 4.33Å; H59-L444 VanDerWaalsContact CD2-CD2 3.47Å; H59-L444 WeakPolarHBondContact CD2-CD2 3.42Å; H59-L444 WeakPolarHBondContact NE2-CD2 3.42Å; L89-L444 HydrophobicContact CD1-CD1 3.76Å; V186-L444 HydrophobicContact CG2-CD1 3.77Å; L444-V446 PolarHBondContact O-N 3.02Å; L444-V446 VanDerWaalsContact O-N 3.14Å; L444-R447 PolarHBondContact O-N 3.45Å; L444-I448 HydrophobicContact CG-CD1 4.41Å; L444-I448 WeakPolarHBondContact O-CG1 3.46Å; L444-I448 PolarHBondContact O-N 3.35Å
445	W	50.7	Low	43.6	Very low	20 Å²	20	60.2 Å²	60.2	8%	0.076	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-26.1	-170.9	-57	112.9	0	0	0	114.2	L87 L98 W166 Q211 I448	L87-W445 HydrophobicContact CD2-CH2 4.41Å; L87-W445 HydrophobicContact CD2-CZ3 4.22Å; L98-W445 HydrophobicContact CD1-CE3 4.36Å; L98-W445 HydrophobicContact CD1-CZ3 3.91Å; L98-W445 HydrophobicContact CD2-CE3 4.04Å; L98-W445 HydrophobicContact CD2-CH2 4.48Å; L98-W445 HydrophobicContact CD2-CZ3 3.54Å; L98-W445 HydrophobicContact CG-CZ3 4.4Å; W166-W445 HydrophobicContact CZ3-CB 4.06Å; W166-W445 HydrophobicContact CZ3-CG 4.25Å; Q211-W445 HydrophobicContact CB-CH2 3.65Å; Q211-W445 HydrophobicContact CB-CZ2 4.13Å; Q211-W445 HydrophobicContact CB-CZ3 4.24Å; Q211-W445 HydrophobicContact CG-CH2 3.58Å; Q211-W445 HydrophobicContact CG-CZ2 4.22Å; Q211-W445 HydrophobicContact CG-CZ3 4.41Å; W445-I448 HydrophobicContact CE3-CD1 3.59Å; W445-I448 HydrophobicContact CZ3-CD1 3.86Å
446	V	52.4	Low	43.4	Very low	12 Å²	12	56.2 Å²	56.2	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-88.3	-14.8	-179.5	-166.5	0	0	0	0	111.5	I155 S173 R182 L444	I155-V446 HydrophobicContact CG2-CG1 3.49Å; I155-V446 VanDerWaalsContact CG2-CG1 3.49Å; S173-V446 WeakPolarHBondContact OG-CG1 3.21Å; S173-V446 WeakPolarHBondContact OG-CG2 3.49Å; R182-V446 PolarHBondContact NH1-O 2.89Å; L444-V446 PolarHBondContact O-N 3.02Å; L444-V446 VanDerWaalsContact O-N 3.14Å
447	R	59.4	Low	43.3	Very low	20 Å²	20	53.3 Å²	53.3	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-90.4	-18.1	175.1	-73.5	175.5	-170.9	-137.3	3.2	113.3	T181 R182 V184 D443 L444 E449 E450	T181-R447 PolarHBondContact O-NH1 3.33Å; T181-R447 PolarHBondContact OG1-NH2 2.96Å; R182-R447 VanDerWaalsContact NH1-CG 3.34Å; V184-R447 PolarHBondContact O-NH1 3.32Å; D443-R447 VanDerWaalsContact CG-CZ 3.47Å; D443-R447 WeakPolarHBondContact O-CB 3.32Å; D443-R447 WeakPolarHBondContact O-CD 3.45Å; D443-R447 WeakPolarHBondContact O-CG 3.41Å; D443-R447 IonicContact OD1-CZ 2.68Å; D443-R447 VanDerWaalsContact OD1-CZ 3.23Å; D443-R447 IonicContact OD1-NE 3.83Å; D443-R447 PolarHBondContact OD1-NE 2.82Å; D443-R447 IonicContact OD1-NH2 3.62Å; D443-R447 PolarHBondContact OD1-NH2 3.19Å; D443-R447 IonicContact OD2-CZ 3.35Å; D443-R447 IonicContact OD2-NE 2.64Å; D443-R447 IonicContact OD2-NH2 3.2Å; D443-R447 PolarHBondContact OD2-NH2 3.02Å; L444-R447 PolarHBondContact O-N 3.45Å; R447-E449 VanDerWaalsContact C-N 3.26Å; R447-E449 PolarHBondContact O-N 3.38Å; R447-E450 WeakPolarHBondContact O-CB 3.25Å; R447-E450 PolarHBondContact O-N 2.93Å; R447-E450 VanDerWaalsContact O-N 3.1Å
448	I	50.8	Low	43.4	Very low	5 Å²	5	54.1 Å²	54.1	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-32.4	178.4	-73.7	175.5	0	0	0	112.4	L89 I95 L98 L444 W445 E450 S451	L89-I448 HydrophobicContact CD2-CD1 3.59Å; L89-I448 HydrophobicContact CD2-CG1 4.05Å; I95-I448 HydrophobicContact CD1-CG2 3.68Å; I95-I448 HydrophobicContact CG2-CG2 3.83Å; L98-I448 HydrophobicContact CD1-CD1 3.64Å; L98-I448 HydrophobicContact CD1-CG2 3.98Å; L444-I448 HydrophobicContact CG-CD1 4.41Å; L444-I448 WeakPolarHBondContact O-CG1 3.46Å; L444-I448 PolarHBondContact O-N 3.35Å; W445-I448 HydrophobicContact CE3-CD1 3.59Å; W445-I448 HydrophobicContact CZ3-CD1 3.86Å; I448-E450 VanDerWaalsContact C-N 3.25Å; I448-E450 PolarHBondContact O-N 3.21Å; I448-S451 PolarHBondContact O-OG 3.2Å; I448-S451 VanDerWaalsContact O-OG 3.12Å
449	E	44.9	Very low	43.4	Very low	22 Å²	22	53.9 Å²	53.9	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-69.8	-21.5	177.2	-63.7	-169.1	144.5	0	0	112.7	A154 K162 R447 S452	A154-E449 WeakPolarHBondContact O-CB 3.23Å; K162-E449 IonicContact NZ-OE1 2.67Å; K162-E449 PolarHBondContact NZ-OE1 2.84Å; K162-E449 IonicContact NZ-OE2 3.65Å; K162-E449 PolarHBondContact NZ-OE2 3.46Å; R447-E449 VanDerWaalsContact C-N 3.26Å; R447-E449 PolarHBondContact O-N 3.38Å; E449-S452 PolarHBondContact O-OG 3.28Å
450	E	44.2	Very low	42.5	Very low	28 Å²	28	55.1 Å²	55.1	13%	0.131	32%	0.324	C	S	.	.	H	α-helix	trans	-81.7	-31.3	-178.2	-166.8	177.9	178.8	0	0	112.8	G183 R447 I448	G183-E450 PolarHBondContact N-OE1 3.34Å; R447-E450 WeakPolarHBondContact O-CB 3.25Å; R447-E450 PolarHBondContact O-N 2.93Å; R447-E450 VanDerWaalsContact O-N 3.1Å; I448-E450 VanDerWaalsContact C-N 3.25Å; I448-E450 PolarHBondContact O-N 3.21Å
451	S	36.1	Very low	41.7	Very low	49 Å²	49	61.9 Å²	61.9	34%	0.343	36%	0.361	S	S	.	.	H	α-helix	trans	-76.1	-25.4	-176.7	53.7	0	0	0	0	114.1	I448	I448-S451 PolarHBondContact O-OG 3.2Å; I448-S451 VanDerWaalsContact O-OG 3.12Å
452	S	36.5	Very low	41.1	Very low	56 Å²	56	66 Å²	66	39%	0.392	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-75.3	-20.2	180	60.7	0	0	0	0	114.7	E449	E449-S452 PolarHBondContact O-OG 3.28Å
453	M	38.2	Very low	39.9	Very low	115 Å²	115	74.3 Å²	74.3	57%	0.567	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-94.7	5	-174	-61.3	-161.5	179.9	0	0	114.2	Q455	M453-Q455 PolarHBondContact O-N 3.21Å
454	V	37.7	Very low	38.6	Very low	100 Å²	100	80.2 Å²	80.2	61%	0.606	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-76.8	-4	175.8	-177.8	0	0	0	0	112.4	S456	V454-S456 PolarHBondContact O-N 2.89Å
455	Q	35	Very low	37.7	Very low	160 Å²	160	85 Å²	85	75%	0.748	47%	0.472	S	S	*	.			trans	-87.2	91.3	176.9	-68	-171.8	2.4	0	0	112.2	M453	M453-Q455 PolarHBondContact O-N 3.21Å
456	S	29.9	Very low	36.4	Very low	107 Å²	107	91.2 Å²	91.2	75%	0.748	51%	0.506	S	S	*	.	S	Bend	trans	116.3	125.7	153.8	-51.9	0	0	0	0	115.3	V454	V454-S456 PolarHBondContact O-N 2.89Å
457	P	35	Very low	35.4	Very low	112 Å²	112	93.9 Å²	93.9	73%	0.727	54%	0.536	S	S	*	.	S	Bend	cis	-77.6	163.6	-1	15.5	-0.6	0	0	0	111.6
458	P	33.1	Very low	33.7	Very low	116 Å²	116	101.8 Å²	101.8	75%	0.753	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-60.7	141.4	-178.5	26.4	-33.7	0	0	0	110.4
459	P	35.2	Very low	32.8	Very low	94 Å²	94	107.7 Å²	107.7	61%	0.61	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-60.8	145.7	170.2	26.1	-31.5	0	0	0	109.1	L461	P459-L461 PolarHBondContact O-N 3.45Å
460	P	29.9	Very low	31.9	Very low	90 Å²	90	111.4 Å²	111.4	58%	0.584	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-55.4	137.4	175.5	23.1	-31.6	0	0	0	109.3	V462	P460-V462 WeakPolarHBondContact O-CG2 3.35Å; P460-V462 PolarHBondContact O-N 3.16Å
461	L	30.2	Very low	31.3	Very low	164 Å²	164	115.4 Å²	115.4	86%	0.859	65%	0.648	S	S	*	*			trans	-55.1	99	176.6	-87.6	155.6	0	0	0	109.9	P459 R463	P459-L461 PolarHBondContact O-N 3.45Å; L461-R463 PolarHBondContact O-N 3.12Å
462	V	30.1	Very low	31	Very low	95 Å²	95	121.4 Å²	121.4	58%	0.576	67%	0.671	S	S	*	*			trans	-77.8	100.9	172.8	-178.5	0	0	0	0	107.7	P460 I464 I469	P460-V462 WeakPolarHBondContact O-CG2 3.35Å; P460-V462 PolarHBondContact O-N 3.16Å; V462-I464 HydrophobicContact CG1-CG1 4.23Å; V462-I469 HydrophobicContact CG1-CG2 4.39Å
463	R	26.4	Very low	30.7	Very low	181 Å²	181	124 Å²	124	68%	0.683	69%	0.686	S	S	*	*			trans	-87.6	116.8	164.5	-74.5	-170.7	-174.2	-150.1	2.7	108.7	L461	L461-R463 PolarHBondContact O-N 3.12Å
464	I	27.9	Very low	30.4	Very low	128 Å²	128	124.3 Å²	124.3	66%	0.656	70%	0.697	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.1	107.2	167.2	-57.7	175.5	0	0	0	107.1	V462	V462-I464 HydrophobicContact CG1-CG1 4.23Å
465	I	27.6	Very low	30.1	Very low	112 Å²	112	127.1 Å²	127.1	57%	0.574	71%	0.709	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.8	122.7	166.9	-57.2	176.2	0	0	0	106.4	G467	I465-G467 VanDerWaalsContact C-N 3.34Å; I465-G467 PolarHBondContact O-N 3.49Å
466	N	25	Very low	29.7	Very low	149 Å²	149	129.9 Å²	129.9	80%	0.797	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.5	41.8	174.8	-65.4	-9.4	0	0	0	115.7	Y468	N466-Y468 VanDerWaalsContact C-N 3.29Å; N466-Y468 VanDerWaalsContact O-CD2 3.29Å; N466-Y468 WeakPolarHBondContact O-CD2 3.38Å; N466-Y468 PolarHBondContact O-N 3.32Å
467	G	30.2	Very low	29.6	Very low	68 Å²	68	131.4 Å²	131.4	70%	0.701	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.4	12.4	167.7	0	0	0	0	0	116.3	I465	I465-G467 VanDerWaalsContact C-N 3.34Å; I465-G467 PolarHBondContact O-N 3.49Å
468	Y	24.1	Very low	29.2	Very low	187 Å²	187	135.4 Å²	135.4	73%	0.733	72%	0.719	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.8	135.6	169.8	-64.6	-81.1	0	0	0	110.5	N466	N466-Y468 VanDerWaalsContact C-N 3.29Å; N466-Y468 VanDerWaalsContact O-CD2 3.29Å; N466-Y468 WeakPolarHBondContact O-CD2 3.38Å; N466-Y468 PolarHBondContact O-N 3.32Å
469	I	31.1	Very low	28.9	Very low	128 Å²	128	134.7 Å²	134.7	66%	0.656	72%	0.716	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87	111.6	174.2	-60	170	0	0	0	107.4	V462 V471	V462-I469 HydrophobicContact CG1-CG2 4.39Å; I469-V471 HydrophobicContact CG2-CG2 4.48Å
470	T	27.6	Very low	28.4	Very low	101 Å²	101	138.9 Å²	138.9	62%	0.62	73%	0.727	S	S	*	*			trans	-101.2	130.5	168.2	49.9	0	0	0	0	109.6
471	V	31.4	Very low	28.4	Very low	112 Å²	112	142.9 Å²	142.9	68%	0.679	74%	0.738	S	S	*	*			trans	-103	112.7	173.5	-175.6	0	0	0	0	106.9	I469	I469-V471 HydrophobicContact CG2-CG2 4.48Å
472	E	29.5	Very low	28.2	Very low	175 Å²	175	141.8 Å²	141.8	82%	0.818	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-74.6	129.2	167	-91	-175.6	158.2	0	0	109.3
473	P	29.4	Very low	28	Very low	109 Å²	109	148.1 Å²	148.1	71%	0.708	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-70	145.3	171.1	28.4	-30.8	0	0	0	110	N475	P473-N475 PolarHBondContact O-N 3.37Å
474	P	33	Very low	28	Very low	122 Å²	122	147.4 Å²	147.4	79%	0.792	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-64.6	132.4	-177.8	24.4	-31.7	0	0	0	111.4	R476	P474-R476 PolarHBondContact O-N 3.36Å
475	N	29.4	Very low	28	Very low	160 Å²	160	148.2 Å²	148.2	86%	0.856	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-56.6	117	171.5	-84.6	-34.7	0	0	0	110	P473 V477	P473-N475 PolarHBondContact O-N 3.37Å; N475-V477 PolarHBondContact O-N 3.01Å; N475-V477 VanDerWaalsContact O-N 3.09Å
476	R	28.3	Very low	27.9	Very low	217 Å²	217	151.4 Å²	151.4	82%	0.819	77%	0.77	S	S	*	*			trans	-67.5	104.5	168.3	-83.7	-176.6	175.2	-178.7	-1.4	108.9	P474 Y478	P474-R476 PolarHBondContact O-N 3.36Å; R476-Y478 PolarHBondContact O-N 3.23Å; R476-Y478 VanDerWaalsContact O-N 3.17Å
477	V	27.3	Very low	27.9	Very low	139 Å²	139	152.6 Å²	152.6	84%	0.842	77%	0.771	S	S	*	*			trans	-67.5	106.4	160.7	179.4	0	0	0	0	107	N475 S479	N475-V477 PolarHBondContact O-N 3.01Å; N475-V477 VanDerWaalsContact O-N 3.09Å; V477-S479 PolarHBondContact O-N 3.48Å
478	Y	25.5	Very low	27.6	Very low	197 Å²	197	155.1 Å²	155.1	77%	0.773	78%	0.778	S	S	*	*			trans	-71.1	113.1	170	-93.4	-90	0	0	0	108.9	R476 Q480	R476-Y478 PolarHBondContact O-N 3.23Å; R476-Y478 VanDerWaalsContact O-N 3.17Å; Y478-Q480 PolarHBondContact O-N 2.99Å
479	S	27.8	Very low	27.8	Very low	100 Å²	100	151.4 Å²	151.4	70%	0.699	78%	0.78	S	S	*	*			trans	-74.7	109.3	161.6	64.2	0	0	0	0	108.6	V477 H481	V477-S479 PolarHBondContact O-N 3.48Å; S479-H481 PolarHBondContact O-N 3.14Å
480	Q	25.3	Very low	27.7	Very low	182 Å²	182	150.9 Å²	150.9	85%	0.85	79%	0.787	S	S	*	*			trans	-59.6	115.2	164.8	-103.6	167.5	-32.5	0	0	109.4	Y478	Y478-Q480 PolarHBondContact O-N 2.99Å
481	H	28.8	Very low	28.2	Very low	174 Å²	174	151.9 Å²	151.9	81%	0.806	80%	0.795	S	S	*	*			trans	-124.8	116.9	157.3	-92	35.6	0	0	0	108.4	S479	S479-H481 PolarHBondContact O-N 3.14Å
482	N	25.9	Very low	28.3	Very low	141 Å²	141	153.7 Å²	153.7	75%	0.754	80%	0.8	S	S	*	*			trans	-64.7	125.1	175.8	-77.8	-31.7	0	0	0	110.7
483	Y	26	Very low	28.5	Very low	229 Å²	229	151.8 Å²	151.8	90%	0.898	80%	0.8	S	S	*	*			trans	-137.7	123.1	149.7	-93.8	-80.9	0	0	0	109.1
484	H	27.4	Very low	29	Very low	166 Å²	166	150.9 Å²	150.9	77%	0.769	80%	0.796	S	S	*	*			trans	-77.8	138.3	177.5	-88.8	-79.5	0	0	0	112.1
485	H	26.4	Very low	29.4	Very low	145 Å²	145	153.9 Å²	153.9	67%	0.671	80%	0.797	S	S	*	*			trans	54.8	118	146	-85.5	-66.9	0	0	0	121.9
486	L	25.5	Very low	30.3	Very low	179 Å²	179	150.7 Å²	150.7	94%	0.937	79%	0.785	S	S	*	*				-162	136.6	106.3	-102.9	144.2	0	0	0	111.6
487	Q	25.4	Very low	31.2	Very low	173 Å²	173	148.8 Å²	148.8	81%	0.808	78%	0.779	S	S	*	*			trans	-81.1	143.7	-177.2	-73.3	165.3	-54.2	0	0	112.3
488	S	25.2	Very low	32.2	Very low	122 Å²	122	146.5 Å²	146.5	85%	0.853	77%	0.766	S	S	*	*			trans	-152.3	141.3	136.9	80	0	0	0	0	111.6
489	S	27.3	Very low	33.4	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	77%	0.766	S	S	*	*			trans	-72.8	137	-167.5	43.8	0	0	0	0	117.8
490	S	29.6	Very low	34.5	Very low	117 Å²	117	145 Å²	145	82%	0.818	76%	0.762	S	S	*	*			trans	40.9	159.9	132.2	-47.2	0	0	0	0	122.5
491	P	37.5	Very low	36	Very low	121 Å²	121	141.6 Å²	141.6	79%	0.786	75%	0.748	S	S	*	*			cis	-137.7	174.2	11.5	38.4	-17.1	0	0	0	117.7
492	I	34.8	Very low	37.3	Very low	151 Å²	151	138.2 Å²	138.2	77%	0.774	74%	0.735	S	S	*	*			trans	-57.1	137.6	172.7	-63.2	147.4	0	0	0	113.2
493	T	33.6	Very low	38.7	Very low	135 Å²	135	136.9 Å²	136.9	83%	0.828	73%	0.728	S	S	*	*			trans	-140.6	111.1	148.5	53.9	0	0	0	0	111.4
494	S	38.5	Very low	40.3	Very low	90 Å²	90	132.8 Å²	132.8	63%	0.629	72%	0.715	S	S	*	*			trans	-75.8	122.6	165.5	42.7	0	0	0	0	111.4
495	F	41.4	Very low	41.9	Very low	184 Å²	184	128.2 Å²	128.2	81%	0.807	70%	0.699	S	S	*	*			trans	-151.3	87.2	160.9	-95.6	-76.8	0	0	0	112.2	V498	F495-V498 HydrophobicContact CE1-CG2 4.43Å
496	P	49.9	Very low	43.4	Very low	94 Å²	94	126.8 Å²	126.8	61%	0.61	70%	0.696	S	S	*	*			trans	-104.9	173.5	139.2	33.1	-21.9	0	0	0	108.8
497	Y	46.1	Very low	45.2	Very low	176 Å²	176	122.6 Å²	122.6	69%	0.69	67%	0.673	S	S	*	*	S	Bend	trans	103.6	-31	174	-63.3	-78.5	0	0	0	119.4	I501	Y497-I501 WeakPolarHBondContact O-CG1 3.24Å
498	V	49.2	Very low	46.7	Very low	91 Å²	91	117.2 Å²	117.2	55%	0.552	66%	0.658	S	S	*	*	H	α-helix	trans	-76.5	-33.2	178.7	-178.9	0	0	0	0	112.5	F495 L502	F495-V498 HydrophobicContact CE1-CG2 4.43Å; V498-L502 HydrophobicContact CG1-CD1 4.38Å; V498-L502 PolarHBondContact O-N 3.38Å
499	L	50.2	Low	48.1	Very low	151 Å²	151	117 Å²	117	79%	0.791	65%	0.646	S	S	*	*	H	α-helix	trans	-74.5	-28.8	-179.5	-148.6	83.1	0	0	0	113.1	L503	L499-L503 PolarHBondContact O-N 3.46Å
500	L	50.7	Low	49.6	Very low	115 Å²	115	116.6 Å²	116.6	60%	0.602	64%	0.64	S	S	*	*	H	α-helix	trans	-77.3	-34.7	-177.9	-141.3	92.2	0	0	0	111.6	F504	L500-F504 WeakPolarHBondContact O-CD2 3.48Å; L500-F504 PolarHBondContact O-N 3.04Å
501	I	57.7	Low	50.7	Low	111 Å²	111	119.3 Å²	119.3	57%	0.569	64%	0.637	S	S	*	*	H	α-helix	trans	-71.7	-39	179.5	-64.5	171.9	0	0	0	110.7	Y497 L503 F504 T505	Y497-I501 WeakPolarHBondContact O-CG1 3.24Å; I501-L503 VanDerWaalsContact C-N 3.32Å; I501-L503 PolarHBondContact O-N 3.5Å; I501-F504 PolarHBondContact O-N 3.48Å; I501-T505 PolarHBondContact O-N 3.26Å; I501-T505 VanDerWaalsContact O-N 3.1Å; I501-T505 PolarHBondContact O-OG1 3.38Å; I501-T505 VanDerWaalsContact O-OG1 3.14Å
502	L	54.2	Low	51.3	Low	102 Å²	102	121.6 Å²	121.6	53%	0.534	64%	0.637	S	S	.	*	H	α-helix	trans	-63.6	-36.3	176.8	-82.3	163.6	0	0	0	112.8	V498 T505 L506	V498-L502 HydrophobicContact CG1-CD1 4.38Å; V498-L502 PolarHBondContact O-N 3.38Å; L502-T505 WeakPolarHBondContact CA-OG1 3.3Å; L502-T505 PolarHBondContact O-OG1 3.25Å; L502-L506 PolarHBondContact O-N 3.18Å
503	L	56.5	Low	52.1	Low	114 Å²	114	125.1 Å²	125.1	60%	0.597	64%	0.64	S	S	*	*	H	α-helix	trans	-69	-39.7	178.8	-147.1	90.4	0	0	0	112	L499 I501 L506 I507	L499-L503 PolarHBondContact O-N 3.46Å; I501-L503 VanDerWaalsContact C-N 3.32Å; I501-L503 PolarHBondContact O-N 3.5Å; L503-L506 PolarHBondContact O-N 2.91Å; L503-I507 WeakPolarHBondContact O-CG1 3.36Å; L503-I507 PolarHBondContact O-N 3.4Å
504	F	59.8	Low	53	Low	143 Å²	143	121.8 Å²	121.8	63%	0.627	63%	0.633	S	S	*	*	H	α-helix	trans	-72.1	-34.4	178.5	-92	-81.3	0	0	0	112.9	L500 I501 A508	L500-F504 WeakPolarHBondContact O-CD2 3.48Å; L500-F504 PolarHBondContact O-N 3.04Å; I501-F504 PolarHBondContact O-N 3.48Å; F504-A508 PolarHBondContact O-N 3.42Å; F504-A508 VanDerWaalsContact O-N 3.15Å
505	T	61.1	Low	53.5	Low	69 Å²	69	123.1 Å²	123.1	42%	0.423	64%	0.642	S	S	.	*	H	α-helix	trans	-68.7	-33	174.7	48.2	0	0	0	0	113	I501 L502 L509	I501-T505 PolarHBondContact O-N 3.26Å; I501-T505 VanDerWaalsContact O-N 3.1Å; I501-T505 PolarHBondContact O-OG1 3.38Å; I501-T505 VanDerWaalsContact O-OG1 3.14Å; L502-T505 WeakPolarHBondContact CA-OG1 3.3Å; L502-T505 PolarHBondContact O-OG1 3.25Å; T505-L509 PolarHBondContact O-N 3.01Å; T505-L509 VanDerWaalsContact O-N 3.14Å
506	L	58.1	Low	53.5	Low	116 Å²	116	118.6 Å²	118.6	61%	0.607	64%	0.639	S	S	*	*	H	α-helix	trans	-72	-36.2	178	-116.7	133.5	0	0	0	112.2	L502 L503 V510	L502-L506 PolarHBondContact O-N 3.18Å; L503-L506 PolarHBondContact O-N 2.91Å; L506-V510 VanDerWaalsContact O-CG2 3.3Å; L506-V510 WeakPolarHBondContact O-CG2 3.36Å; L506-V510 PolarHBondContact O-N 3.44Å
507	I	62.2	Low	53	Low	91 Å²	91	120.5 Å²	120.5	47%	0.467	65%	0.649	S	S	.	*	H	α-helix	trans	-70.5	-37.4	176.4	-65.3	167.5	0	0	0	110.8	L503 V510 F511	L503-I507 WeakPolarHBondContact O-CG1 3.36Å; L503-I507 PolarHBondContact O-N 3.4Å; I507-V510 PolarHBondContact O-N 2.98Å; I507-F511 HydrophobicContact CG2-CD2 4.34Å; I507-F511 WeakPolarHBondContact O-CD2 3.24Å; I507-F511 PolarHBondContact O-N 3.49Å
508	A	58.3	Low	52.7	Low	59 Å²	59	123.7 Å²	123.7	49%	0.488	68%	0.676	S	S	.	*	H	α-helix	trans	-67.6	-36.4	176.1	0	0	0	0	0	113.2	F504 F511 Q512	F504-A508 PolarHBondContact O-N 3.42Å; F504-A508 VanDerWaalsContact O-N 3.15Å; A508-F511 PolarHBondContact O-N 3.49Å; A508-Q512 PolarHBondContact O-N 3.22Å
509	L	53.9	Low	52.8	Low	117 Å²	117	125.3 Å²	125.3	61%	0.613	68%	0.683	S	S	*	*	H	α-helix	trans	-72.5	-26.5	177.6	-93.9	151.7	0	0	0	113.8	T505	T505-L509 PolarHBondContact O-N 3.01Å; T505-L509 VanDerWaalsContact O-N 3.14Å
510	V	58.8	Low	53	Low	102 Å²	102	123.9 Å²	123.9	62%	0.618	68%	0.677	S	S	*	*	H	α-helix	trans	-76.6	-31.8	176.1	171.8	0	0	0	0	111.7	L506 I507	L506-V510 VanDerWaalsContact O-CG2 3.3Å; L506-V510 WeakPolarHBondContact O-CG2 3.36Å; L506-V510 PolarHBondContact O-N 3.44Å; I507-V510 PolarHBondContact O-N 2.98Å
511	F	52.6	Low	53.1	Low	173 Å²	173	124.4 Å²	124.4	76%	0.759	68%	0.681	S	S	*	*	H	α-helix	trans	-82.5	-15.1	177.7	-87.1	-82.7	0	0	0	114.6	I507 A508	I507-F511 HydrophobicContact CG2-CD2 4.34Å; I507-F511 WeakPolarHBondContact O-CD2 3.24Å; I507-F511 PolarHBondContact O-N 3.49Å; A508-F511 PolarHBondContact O-N 3.49Å
512	Q	50.8	Low	52.8	Low	169 Å²	169	125.2 Å²	125.2	79%	0.79	69%	0.688	S	S	*	*	S	Bend	trans	-92.9	-5.4	178.4	-127.3	172.6	-5.4	0	0	114.5	A508	A508-Q512 PolarHBondContact O-N 3.22Å
513	R	51.5	Low	52.7	Low	225 Å²	225	126.7 Å²	126.7	85%	0.849	70%	0.697	S	S	*	*	S	Bend	trans	-105.7	4.8	177	-95.7	-175.9	173.8	-177.7	-1.4	115.2
514	G	50.7	Low	52.5	Low	66 Å²	66	127.5 Å²	127.5	68%	0.68	70%	0.704	S	S	*	*	S	Bend	trans	-95	11.9	179.8	0	0	0	0	0	115.9
515	S	50.1	Low	52	Low	117 Å²	117	126.4 Å²	126.4	82%	0.818	71%	0.71	S	S	*	*	S	Bend	trans	-137.6	70.6	179.1	-63.9	0	0	0	0	111.4
516	A	41.8	Very low	51.3	Low	90 Å²	90	130.8 Å²	130.8	74%	0.744	73%	0.732	S	S	*	*			trans	-166.3	134.3	152.4	0	0	0	0	0	109.5
517	V	39.1	Very low	50.7	Low	133 Å²	133	132.1 Å²	132.1	81%	0.806	74%	0.742	S	S	*	*			trans	96.9	95.3	168.2	-165.1	0	0	0	0	116.6
518	L	38.6	Very low	49.6	Very low	243 Å²	243	135.8 Å²	135.8	100%	1.272	77%	0.767	S	S	*	*			trans	73.1	0	153.7	-75.9	155.9	0	0	0	119.8

Retrieved 518 of 518 residues in 95.3 ms (Link to these results)

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