A0A060WGN1_ONCMY Loading...

Sodium channel regulatory subunit beta-1

Regulatory subunit of multiple voltage-gated sodium (Nav) channels directly mediating the depolarization of excitable membranes. Navs, also called VGSCs (voltage-gated sodium channels) or VDSCs (voltage-dependent sodium channels), operate by switching between closed and open conformations depending on the voltage difference across the membrane. In the open conformation they allow Na(+) ions to selectively pass through the pore, along their electrochemical gradient. The influx of Na+ ions provokes membrane depolarization, initiating the propagation of electrical signals throughout cells and tissues. The accessory beta subunits participate in localization and functional modulation of the Nav channels. Modulates the activity of SCN1A/Nav1.1, SCN2A/Nav1.2, SCN3A/Nav1.3, SCN4A/Nav1.4, SCN5A/Nav1.5, SCN8A/Nav1.6, SCN9A/Nav1.7 and SCN10A/Nav1.8.

AlphaFold DB , UniProt , Accession A0A060WGN1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 220 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.7	Low	74.4	Confident	191 Å²	191	113.4 Å²	113.4	94%	0.941	62%	0.616	S	S	*	*				0	-32.3	0	-65.4	177.4	72.4	0	0	113.7
2	S	70.9	Confident	74.4	Confident	87 Å²	87	110.8 Å²	110.8	61%	0.608	60%	0.6	S	S	*	*	H	α-helix	trans	-71.5	-44.2	179.8	-165.4	0	0	0	0	114.1	V4 R5 L6	S2-V4 PolarHBondContact O-N 3.15Å; S2-R5 PolarHBondContact O-N 3.03Å; S2-L6 WeakPolarHBondContact O-CD1 3.39Å; S2-L6 PolarHBondContact O-N 3.16Å
3	A	70.9	Confident	74.2	Confident	70 Å²	70	108.5 Å²	108.5	58%	0.579	60%	0.596	S	S	*	*	H	α-helix	trans	-65	-38.8	-178	0	0	0	0	0	114	R5 L6 L7	A3-R5 VanDerWaalsContact C-N 3.33Å; A3-L6 PolarHBondContact O-N 2.7Å; A3-L7 WeakPolarHBondContact O-CB 3.25Å; A3-L7 PolarHBondContact O-N 3.05Å
4	V	76.1	Confident	73.9	Confident	93 Å²	93	105.5 Å²	105.5	56%	0.564	59%	0.593	S	S	*	*	H	α-helix	trans	-67.2	-36.1	177	178.6	0	0	0	0	111.1	S2 L7 L8	S2-V4 PolarHBondContact O-N 3.15Å; V4-L7 PolarHBondContact O-N 3.27Å; V4-L8 HydrophobicContact CG1-CD1 4.39Å; V4-L8 WeakPolarHBondContact O-CB 3.45Å; V4-L8 PolarHBondContact O-N 2.85Å
5	R	75.4	Confident	73.4	Confident	173 Å²	173	107.7 Å²	107.7	65%	0.653	60%	0.602	S	S	*	*	H	α-helix	trans	-68.7	-41.3	174.3	-75.9	-174.8	176.9	-170.2	-0.7	111.9	S2 A3 L8 L9	S2-R5 PolarHBondContact O-N 3.03Å; A3-R5 VanDerWaalsContact C-N 3.33Å; R5-L8 PolarHBondContact O-N 2.85Å; R5-L9 WeakPolarHBondContact O-CB 3.43Å; R5-L9 WeakPolarHBondContact O-CD1 3.42Å; R5-L9 PolarHBondContact O-N 3.21Å
6	L	76.2	Confident	72.7	Confident	115 Å²	115	111.2 Å²	111.2	60%	0.602	61%	0.609	S	S	*	*	H	α-helix	trans	-61.7	-42.4	173.9	-100.2	101.1	0	0	0	112.1	S2 A3 L9 S10	S2-L6 WeakPolarHBondContact O-CD1 3.39Å; S2-L6 PolarHBondContact O-N 3.16Å; A3-L6 PolarHBondContact O-N 2.7Å; L6-L9 PolarHBondContact O-N 2.93Å; L6-S10 PolarHBondContact O-N 3.16Å; L6-S10 PolarHBondContact O-OG 3.26Å
7	L	78.2	Confident	72.1	Confident	119 Å²	119	110.4 Å²	110.4	62%	0.623	61%	0.608	S	S	*	*	H	α-helix	trans	-64.4	-39	175.2	-83.7	159.8	0	0	0	112.3	A3 V4 S10 L11	A3-L7 WeakPolarHBondContact O-CB 3.25Å; A3-L7 PolarHBondContact O-N 3.05Å; V4-L7 PolarHBondContact O-N 3.27Å; L7-S10 WeakPolarHBondContact CA-OG 3.18Å; L7-S10 PolarHBondContact O-OG 3.41Å; L7-L11 WeakPolarHBondContact O-CB 3.25Å; L7-L11 PolarHBondContact O-N 3.07Å
8	L	78.6	Confident	71.6	Confident	105 Å²	105	109.3 Å²	109.3	55%	0.55	61%	0.61	S	S	.	*	H	α-helix	trans	-66.4	-41.3	174.9	-120.8	105.1	0	0	0	111.7	V4 R5 L11 L12	V4-L8 HydrophobicContact CG1-CD1 4.39Å; V4-L8 WeakPolarHBondContact O-CB 3.45Å; V4-L8 PolarHBondContact O-N 2.85Å; R5-L8 PolarHBondContact O-N 2.85Å; L8-L11 PolarHBondContact O-N 3.32Å; L8-L12 HydrophobicContact CD2-CD1 4.42Å; L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 PolarHBondContact O-N 3.15Å
9	L	79.9	Confident	71.1	Confident	110 Å²	110	111.7 Å²	111.7	58%	0.576	62%	0.62	S	S	*	*	H	α-helix	trans	-64.8	-39.6	177.3	-88.9	151.2	0	0	0	111.9	R5 L6 C13	R5-L9 WeakPolarHBondContact O-CB 3.43Å; R5-L9 WeakPolarHBondContact O-CD1 3.42Å; R5-L9 PolarHBondContact O-N 3.21Å; L6-L9 PolarHBondContact O-N 2.93Å; L9-C13 WeakPolarHBondContact O-CB 3.37Å; L9-C13 PolarHBondContact O-N 3.01Å; L9-C13 PolarHBondContact O-SG 3.09Å
10	S	77.1	Confident	70.5	Confident	64 Å²	64	112.1 Å²	112.1	45%	0.448	63%	0.629	S	S	.	*	H	α-helix	trans	-70	-37.9	175.3	63.5	0	0	0	0	112.2	L6 L7 C13 A14	L6-S10 PolarHBondContact O-N 3.16Å; L6-S10 PolarHBondContact O-OG 3.26Å; L7-S10 WeakPolarHBondContact CA-OG 3.18Å; L7-S10 PolarHBondContact O-OG 3.41Å; S10-C13 PolarHBondContact O-N 3.35Å; S10-A14 WeakPolarHBondContact O-CB 3.5Å; S10-A14 PolarHBondContact O-N 3.49Å
11	L	77.6	Confident	70.5	Confident	120 Å²	120	115.2 Å²	115.2	63%	0.628	64%	0.639	S	S	*	*	H	α-helix	trans	-65.8	-41.9	174.9	-145.4	90.4	0	0	0	111.7	L7 L8 A14 L15	L7-L11 WeakPolarHBondContact O-CB 3.25Å; L7-L11 PolarHBondContact O-N 3.07Å; L8-L11 PolarHBondContact O-N 3.32Å; L11-A14 PolarHBondContact O-N 3.38Å; L11-L15 WeakPolarHBondContact O-CG 3.1Å; L11-L15 PolarHBondContact O-N 3.48Å
12	L	74.2	Confident	71.1	Confident	82 Å²	82	110 Å²	110	43%	0.429	63%	0.634	S	S	.	*	H	α-helix	trans	-62.7	-45.2	172.9	-97.7	142.7	0	0	0	111.1	L8 A14 L15 F16	L8-L12 HydrophobicContact CD2-CD1 4.42Å; L8-L12 WeakPolarHBondContact O-CB 3.37Å; L8-L12 PolarHBondContact O-N 3.15Å; L12-A14 VanDerWaalsContact C-N 3.3Å; L12-A14 PolarHBondContact O-N 3.02Å; L12-L15 WeakPolarHBondContact O-CB 3.3Å; L12-L15 PolarHBondContact O-N 2.98Å; L12-L15 VanDerWaalsContact O-N 3.13Å; L12-F16 HydrophobicContact CD2-CD2 4.47Å; L12-F16 HydrophobicContact CD2-CE2 3.71Å; L12-F16 WeakPolarHBondContact O-CD2 3.46Å; L12-F16 PolarHBondContact O-N 2.83Å
13	C	71.8	Confident	71.7	Confident	82 Å²	82	110.6 Å²	110.6	55%	0.554	64%	0.644	S	S	*	*	H	α-helix	trans	-60.7	-38	175.4	-74	0	0	0	0	112.4	L9 S10 L15 F16 V17	L9-C13 WeakPolarHBondContact O-CB 3.37Å; L9-C13 PolarHBondContact O-N 3.01Å; L9-C13 PolarHBondContact O-SG 3.09Å; S10-C13 PolarHBondContact O-N 3.35Å; C13-L15 VanDerWaalsContact C-N 3.33Å; C13-F16 CarbonylContact O-C 3.56Å; C13-F16 PolarHBondContact O-N 3.41Å; C13-V17 PolarHBondContact O-N 3.46Å
14	A	70.4	Confident	72.6	Confident	66 Å²	66	110.1 Å²	110.1	55%	0.545	64%	0.636	S	S	.	*	H	α-helix	trans	-65.9	-34.2	175.5	0	0	0	0	0	112.5	S10 L11 L12 F16 V17	S10-A14 WeakPolarHBondContact O-CB 3.5Å; S10-A14 PolarHBondContact O-N 3.49Å; L11-A14 PolarHBondContact O-N 3.38Å; L12-A14 VanDerWaalsContact C-N 3.3Å; L12-A14 PolarHBondContact O-N 3.02Å; A14-F16 VanDerWaalsContact C-N 3.32Å; A14-V17 PolarHBondContact O-N 2.88Å
15	L	65.9	Low	73.5	Confident	139 Å²	139	108.9 Å²	108.9	73%	0.728	64%	0.635	S	S	*	*	H	α-helix	trans	-72	-24.2	173.2	-71.2	163.8	0	0	0	112.9	L11 L12 C13	L11-L15 WeakPolarHBondContact O-CG 3.1Å; L11-L15 PolarHBondContact O-N 3.48Å; L12-L15 WeakPolarHBondContact O-CB 3.3Å; L12-L15 PolarHBondContact O-N 2.98Å; L12-L15 VanDerWaalsContact O-N 3.13Å; C13-L15 VanDerWaalsContact C-N 3.33Å
16	F	62	Low	74.3	Confident	163 Å²	163	105.1 Å²	105.1	72%	0.715	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-0.8	173.9	-77.1	-68.7	0	0	0	114	L12 C13 A14 S18	L12-F16 HydrophobicContact CD2-CD2 4.47Å; L12-F16 HydrophobicContact CD2-CE2 3.71Å; L12-F16 WeakPolarHBondContact O-CD2 3.46Å; L12-F16 PolarHBondContact O-N 2.83Å; C13-F16 CarbonylContact O-C 3.56Å; C13-F16 PolarHBondContact O-N 3.41Å; A14-F16 VanDerWaalsContact C-N 3.32Å; F16-S18 PolarHBondContact O-N 2.84Å
17	V	62.8	Low	75.2	Confident	98 Å²	98	104.2 Å²	104.2	59%	0.594	62%	0.624	S	S	*	*	S	Bend	trans	-68.8	91.6	166	-174.5	0	0	0	0	106.1	C13 A14 L19	C13-V17 PolarHBondContact O-N 3.46Å; A14-V17 PolarHBondContact O-N 2.88Å; V17-L19 PolarHBondContact O-N 2.97Å; V17-L19 VanDerWaalsContact O-N 3.15Å
18	S	63.8	Low	76	Confident	91 Å²	91	105.6 Å²	105.6	64%	0.636	63%	0.632	S	S	*	*			trans	-45.8	123.6	170.2	54.1	0	0	0	0	107.7	F16 C20	F16-S18 PolarHBondContact O-N 2.84Å; S18-C20 VanDerWaalsContact C-N 3.35Å; S18-C20 PolarHBondContact O-N 2.9Å
19	L	60.7	Low	76.9	Confident	154 Å²	154	101.5 Å²	101.5	81%	0.806	61%	0.613	S	S	*	*			trans	-51.8	108.3	166.8	-91.7	73	0	0	0	106.3	V17 H21	V17-L19 PolarHBondContact O-N 2.97Å; V17-L19 VanDerWaalsContact O-N 3.15Å; L19-H21 PolarHBondContact O-N 2.8Å; L19-H21 PolarHBondContact O-ND1 2.81Å
20	C	60.6	Low	77.5	Confident	119 Å²	119	102.1 Å²	102.1	80%	0.804	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-52.7	118	171.4	-63.3	0	0	0	0	105.8	S18 G22	S18-C20 VanDerWaalsContact C-N 3.35Å; S18-C20 PolarHBondContact O-N 2.9Å; C20-G22 PolarHBondContact O-N 2.86Å
21	H	68.8	Low	78.4	Confident	179 Å²	179	102.6 Å²	102.6	83%	0.829	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-61.6	139.6	175.1	-77.3	51.5	0	0	0	107.6	L19 A23	L19-H21 PolarHBondContact O-N 2.8Å; L19-H21 PolarHBondContact O-ND1 2.81Å; H21-A23 PolarHBondContact O-N 2.78Å
22	G	71.6	Confident	79.2	Confident	82 Å²	82	101.6 Å²	101.6	85%	0.845	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-55.8	132.1	175.6	0	0	0	0	0	109.8	C20	C20-G22 PolarHBondContact O-N 2.86Å
23	A	84.1	Confident	80.2	Confident	99 Å²	99	97.8 Å²	97.8	82%	0.818	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-87.6	146.9	169.9	0	0	0	0	0	109.4	H21	H21-A23 PolarHBondContact O-N 2.78Å
24	C	89.9	Confident	81.4	Confident	59 Å²	59	95.1 Å²	95.1	40%	0.399	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-79.3	133.8	168.9	-174.5	0	0	0	0	109.2	C46 Q104	C24-C46 HydrophobicContact CB-CB 3.72Å; C24-C46 WeakPolarHBondContact CB-SG 3.36Å; C24-C46 VanDerWaalsContact SG-CA 3.51Å; C24-C46 WeakPolarHBondContact SG-CB 3.32Å; C24-C46 CovalentContact SG-SG 2.03Å; C24-C46 PolarHBondContact SG-SG 3.36Å; C24-Q104 PolarHBondContact SG-OE1 3.31Å; C24-Q104 VanDerWaalsContact SG-OE1 3.37Å
25	A	93	Very high	82.6	Confident	68 Å²	68	93.4 Å²	93.4	56%	0.562	56%	0.556	S	S	*	*			trans	-126.8	129.3	173.5	0	0	0	0	0	109.1	V27 C46	A25-V27 PolarHBondContact O-N 3.41Å; A25-C46 PolarHBondContact N-SG 3.32Å
26	E	94.3	Very high	84	Confident	93 Å²	93	89.4 Å²	89.4	44%	0.435	55%	0.549	S	S	.	.			trans	-77.4	121.3	174.2	-61.1	-167.6	167.8	0	0	109	S45 C46 K142	E26-S45 WeakPolarHBondContact OE1-CA 3.37Å; E26-C46 HydrophobicContact CG-CB 4.01Å; E26-C46 VanDerWaalsContact CG-SG 3.59Å; E26-C46 PolarHBondContact OE1-N 3.39Å; E26-K142 IonicContact OE2-NZ 3.65Å; E26-K142 PolarHBondContact OE2-NZ 2.99Å
27	V	95.1	Very high	85.6	Confident	97 Å²	97	88 Å²	88	59%	0.588	54%	0.542	S	S	*	.			trans	-123.4	131.1	177	-176.4	0	0	0	0	107.8	A25	A25-V27 PolarHBondContact O-N 3.41Å
28	D	94.8	Very high	87.1	Confident	147 Å²	147	84.7 Å²	84.7	79%	0.786	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-68.6	144.8	176	-66.6	-40.9	0	0	0	110.7
29	S	95.9	Very high	88.7	Confident	20 Å²	20	81.4 Å²	81.4	14%	0.14	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-67.3	152.7	175.7	-174.7	0	0	0	0	111.7	G42	S29-G42 WeakPolarHBondContact CB-O 3.49Å; S29-G42 PolarHBondContact OG-N 2.75Å
30	D	94.3	Very high	90.4	Very high	122 Å²	122	78.3 Å²	78.3	65%	0.652	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-57.1	150.1	162.2	-67.1	-40.6	0	0	0	110.4	F39	D30-F39 HydrophobicContact CB-CE2 3.97Å; D30-F39 HydrophobicContact CB-CZ 3.73Å; D30-F39 WeakPolarHBondContact O-CZ 3.48Å
31	T	94.6	Very high	92.1	Very high	75 Å²	75	72.7 Å²	72.7	46%	0.46	45%	0.445	S	S	.	.			trans	-115.1	-9.1	-173.4	53.6	0	0	0	0	113.7	H145 T147	T31-H145 WeakPolarHBondContact CA-O 3.29Å; T31-H145 VanDerWaalsContact CB-O 3.25Å; T31-H145 WeakPolarHBondContact CB-O 3.49Å; T31-H145 WeakPolarHBondContact CG2-O 3.41Å; T31-T147 PolarHBondContact O-N 3.29Å; T31-T147 PolarHBondContact O-OG1 3.48Å
32	E	95.3	Very high	93.4	Very high	99 Å²	99	64.8 Å²	64.8	46%	0.463	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115	-178.7	-67.7	-174.8	175.8	0	0	110.5	F39 T147 T153	E32-F39 WeakPolarHBondContact O-CE2 3.49Å; E32-T147 WeakPolarHBondContact CA-O 3.26Å; E32-T153 PolarHBondContact OE2-OG1 2.82Å
33	A	95.6	Very high	94.7	Very high	1 Å²	1	61 Å²	61	1%	0.008	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	150.2	174	0	0	0	0	0	111.4	F39 V113 L146 T147 V148 V149	A33-F39 HydrophobicContact CB-CB 3.94Å; A33-F39 HydrophobicContact CB-CD1 4.08Å; A33-F39 HydrophobicContact CB-CD2 3.53Å; A33-F39 HydrophobicContact CB-CE1 4.49Å; A33-F39 HydrophobicContact CB-CE2 3.99Å; A33-F39 HydrophobicContact CB-CG 3.57Å; A33-F39 HydrophobicContact CB-CZ 4.44Å; A33-V113 HydrophobicContact CB-CG1 4.03Å; A33-L146 HydrophobicContact CB-CD1 3.78Å; A33-L146 HydrophobicContact CB-CG 4.46Å; A33-T147 PolarHBondContact N-O 3Å; A33-V148 HydrophobicContact CB-CG2 4.43Å; A33-V148 CarbonylContact O-C 3.55Å; A33-V148 WeakPolarHBondContact O-CA 3.36Å; A33-V149 WeakPolarHBondContact O-CG2 3.37Å; A33-V149 PolarHBondContact O-N 3.37Å
34	V	96.3	Very high	95.2	Very high	27 Å²	27	58.1 Å²	58.1	16%	0.164	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.7	177.5	-175.1	0	0	0	0	110.1	G36 K37 V149 A152	V34-G36 PolarHBondContact O-N 2.69Å; V34-K37 HydrophobicContact CB-CB 4.4Å; V34-K37 HydrophobicContact CB-CD 4.16Å; V34-K37 HydrophobicContact CB-CG 4.34Å; V34-K37 HydrophobicContact CG1-CD 4.21Å; V34-K37 HydrophobicContact CG1-CG 4.34Å; V34-K37 PolarHBondContact O-N 2.77Å; V34-V149 WeakPolarHBondContact CA-O 3.4Å; V34-A152 HydrophobicContact CG2-CB 3.71Å
35	A	96.1	Very high	95.5	Very high	30 Å²	30	55.4 Å²	55.4	25%	0.248	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	136.8	175.8	0	0	0	0	0	112	K37 V113 F115 V148 V149	A35-K37 VanDerWaalsContact C-N 3.26Å; A35-K37 PolarHBondContact O-N 2.77Å; A35-V113 CarbonylContact C-O 3.52Å; A35-V113 WeakPolarHBondContact CA-O 3.3Å; A35-F115 HydrophobicContact CB-CE1 4.29Å; A35-F115 HydrophobicContact CB-CE2 4.02Å; A35-F115 HydrophobicContact CB-CZ 3.84Å; A35-V148 HydrophobicContact CB-CG1 3.97Å; A35-V149 PolarHBondContact N-O 2.94Å
36	G	94.4	Very high	95.5	Very high	55 Å²	55	53.3 Å²	53.3	57%	0.567	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-0.2	-179.1	0	0	0	0	0	115.2	V34 V113	V34-G36 PolarHBondContact O-N 2.69Å; G36-V113 PolarHBondContact N-O 3.45Å
37	K	95.1	Very high	95.4	Very high	132 Å²	132	50 Å²	50	57%	0.574	29%	0.289	S	S	*	.	S	Bend	trans	-107.2	164.7	175.4	-63.9	-165.9	177.2	-174.1	0	111.1	V34 A35 V113	V34-K37 HydrophobicContact CB-CB 4.4Å; V34-K37 HydrophobicContact CB-CD 4.16Å; V34-K37 HydrophobicContact CB-CG 4.34Å; V34-K37 HydrophobicContact CG1-CD 4.21Å; V34-K37 HydrophobicContact CG1-CG 4.34Å; V34-K37 PolarHBondContact O-N 2.77Å; A35-K37 VanDerWaalsContact C-N 3.26Å; A35-K37 PolarHBondContact O-N 2.77Å; K37-V113 WeakPolarHBondContact O-CB 3.4Å; K37-V113 VanDerWaalsContact O-CG2 3.27Å; K37-V113 WeakPolarHBondContact O-CG2 3.42Å; K37-V113 PolarHBondContact O-N 3.21Å
38	G	95.3	Very high	95.1	Very high	30 Å²	30	54.9 Å²	54.9	31%	0.309	31%	0.308	S	S	.	.			trans	-79.1	148.5	167.9	0	0	0	0	0	111.5	Y109 L110	G38-Y109 WeakPolarHBondContact CA-OH 3.45Å; G38-L110 CarbonylContact C-O 3.56Å; G38-L110 VanDerWaalsContact CA-O 3.24Å; G38-L110 WeakPolarHBondContact CA-O 3.21Å
39	F	96.8	Very high	94.9	Very high	22 Å²	22	55.4 Å²	55.4	10%	0.096	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.2	-178.2	-174.8	-101.9	0	0	0	110.8	D30 E32 A33 L41 L110 V113 L146	D30-F39 HydrophobicContact CB-CE2 3.97Å; D30-F39 HydrophobicContact CB-CZ 3.73Å; D30-F39 WeakPolarHBondContact O-CZ 3.48Å; E32-F39 WeakPolarHBondContact O-CE2 3.49Å; A33-F39 HydrophobicContact CB-CB 3.94Å; A33-F39 HydrophobicContact CB-CD1 4.08Å; A33-F39 HydrophobicContact CB-CD2 3.53Å; A33-F39 HydrophobicContact CB-CE1 4.49Å; A33-F39 HydrophobicContact CB-CE2 3.99Å; A33-F39 HydrophobicContact CB-CG 3.57Å; A33-F39 HydrophobicContact CB-CZ 4.44Å; F39-L41 HydrophobicContact CD1-CD2 4.16Å; F39-L41 HydrophobicContact CD1-CG 4.09Å; F39-L41 HydrophobicContact CE1-CD2 3.8Å; F39-L41 HydrophobicContact CE1-CG 4.17Å; F39-L110 PolarHBondContact N-O 2.89Å; F39-L110 PolarHBondContact O-N 3.47Å; F39-V113 HydrophobicContact CB-CG2 3.73Å; F39-L146 HydrophobicContact CD1-CD1 3.84Å; F39-L146 HydrophobicContact CE1-CD1 3.39Å; F39-L146 HydrophobicContact CZ-CD1 3.82Å
40	K	96.7	Very high	94.6	Very high	89 Å²	89	59.1 Å²	59.1	39%	0.387	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.4	176.2	-175	-178.1	176.5	-177.5	0	109	G42 D105 S107 Y109	K40-G42 PolarHBondContact O-N 2.8Å; K40-D105 IonicContact NZ-OD2 2.69Å; K40-S107 VanDerWaalsContact CE-OG 3.29Å; K40-S107 WeakPolarHBondContact CE-OG 3.44Å; K40-Y109 HydrophobicContact CB-CD2 3.97Å; K40-Y109 HydrophobicContact CB-CE2 4.33Å
41	L	96.8	Very high	94.3	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	107.2	168.2	-73	163.3	0	0	0	108.2	F39 W60 S107 I108 Y121 V144 L146	F39-L41 HydrophobicContact CD1-CD2 4.16Å; F39-L41 HydrophobicContact CD1-CG 4.09Å; F39-L41 HydrophobicContact CE1-CD2 3.8Å; F39-L41 HydrophobicContact CE1-CG 4.17Å; L41-W60 HydrophobicContact CB-CH2 4.11Å; L41-S107 WeakPolarHBondContact O-CA 3.31Å; L41-S107 WeakPolarHBondContact O-CB 3.31Å; L41-I108 HydrophobicContact CB-CG1 3.84Å; L41-I108 HydrophobicContact CD1-CD1 4.01Å; L41-I108 HydrophobicContact CD1-CG1 4.09Å; L41-I108 PolarHBondContact N-O 3.44Å; L41-I108 PolarHBondContact O-N 2.87Å; L41-Y121 HydrophobicContact CD1-CD1 3.91Å; L41-Y121 HydrophobicContact CD1-CD2 4.24Å; L41-Y121 HydrophobicContact CD1-CE1 3.93Å; L41-Y121 HydrophobicContact CD1-CE2 4.27Å; L41-Y121 HydrophobicContact CD1-CG 4.05Å; L41-Y121 HydrophobicContact CD2-CD2 4.18Å; L41-Y121 HydrophobicContact CD2-CG 4.45Å; L41-V144 HydrophobicContact CD2-CG1 3.88Å; L41-L146 HydrophobicContact CD2-CD1 4.37Å; L41-L146 HydrophobicContact CD2-CD2 4.35Å
42	G	96.6	Very high	94.2	Very high	12 Å²	12	56.5 Å²	56.5	12%	0.124	30%	0.302	C	S	.	.			trans	-76.3	130.3	178.2	0	0	0	0	0	111.7	S29 K40 S107	S29-G42 WeakPolarHBondContact CB-O 3.49Å; S29-G42 PolarHBondContact OG-N 2.75Å; K40-G42 PolarHBondContact O-N 2.8Å; G42-S107 WeakPolarHBondContact CA-OG 3.48Å
43	C	97	Very high	94.1	Very high	3 Å²	3	59 Å²	59	2%	0.02	31%	0.314	C	S	.	.			trans	-144.3	108.9	167	-177.9	0	0	0	0	109.6	W60 A106 S107 C123 F125	C43-W60 HydrophobicContact CB-CH2 3.57Å; C43-W60 HydrophobicContact CB-CZ2 3.39Å; C43-A106 HydrophobicContact CB-CB 4.4Å; C43-A106 WeakPolarHBondContact O-CA 3.38Å; C43-A106 PolarHBondContact O-N 3.48Å; C43-S107 PolarHBondContact N-OG 2.94Å; C43-C123 HydrophobicContact CB-CB 3.9Å; C43-C123 WeakPolarHBondContact CB-SG 3.04Å; C43-C123 WeakPolarHBondContact SG-CB 3.23Å; C43-C123 CovalentContact SG-SG 2.02Å; C43-C123 PolarHBondContact SG-SG 3.36Å; C43-F125 WeakPolarHBondContact SG-CE2 3.36Å
44	I	96.1	Very high	94	Very high	38 Å²	38	59.7 Å²	59.7	20%	0.195	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-119.8	128.5	-177.2	-56.2	173.5	0	0	0	108.1	Q104 D105	I44-Q104 WeakPolarHBondContact CA-O 3.47Å; I44-D105 HydrophobicContact CG1-CB 4.45Å
45	S	95.6	Very high	93.9	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.021	32%	0.321	C	S	.	.			trans	-129.5	106.3	169.6	177.5	0	0	0	0	109.3	E26 Q104 R127	E26-S45 WeakPolarHBondContact OE1-CA 3.37Å; S45-Q104 PolarHBondContact N-O 2.73Å; S45-R127 PolarHBondContact O-NH2 3.22Å
46	C	94.1	Very high	93.8	Very high	23 Å²	23	58.6 Å²	58.6	16%	0.155	31%	0.311	C	S	.	.			trans	-78.2	142.6	179.1	-61	0	0	0	0	110.1	C24 A25 E26	C24-C46 HydrophobicContact CB-CB 3.72Å; C24-C46 WeakPolarHBondContact CB-SG 3.36Å; C24-C46 VanDerWaalsContact SG-CA 3.51Å; C24-C46 WeakPolarHBondContact SG-CB 3.32Å; C24-C46 CovalentContact SG-SG 2.03Å; C24-C46 PolarHBondContact SG-SG 3.36Å; A25-C46 PolarHBondContact N-SG 3.32Å; E26-C46 HydrophobicContact CG-CB 4.01Å; E26-C46 VanDerWaalsContact CG-SG 3.59Å; E26-C46 PolarHBondContact OE1-N 3.39Å
47	K	92.1	Very high	93.9	Very high	23 Å²	23	58.1 Å²	58.1	10%	0.1	30%	0.298	C	S	.	.			trans	-67.7	145.3	167.9	-62.3	-177.5	-53.5	-167.6	0	109.1	R49 P50 V52 A54 D102 Q104 L129	K47-R49 PolarHBondContact O-N 2.92Å; K47-P50 PolarHBondContact NZ-O 3.22Å; K47-V52 PolarHBondContact NZ-O 2.96Å; K47-A54 HydrophobicContact CD-CB 3.83Å; K47-D102 WeakPolarHBondContact CD-OD1 3.45Å; K47-D102 VanDerWaalsContact CE-OD2 3.28Å; K47-D102 WeakPolarHBondContact CE-OD2 3.35Å; K47-D102 IonicContact NZ-OD1 3.46Å; K47-D102 IonicContact NZ-OD2 3.71Å; K47-D102 PolarHBondContact NZ-OD2 2.88Å; K47-Q104 HydrophobicContact CG-CG 4.49Å; K47-L129 HydrophobicContact CD-CD2 4.2Å
48	M	88.9	Confident	94	Very high	200 Å²	200	51.9 Å²	51.9	99%	0.985	27%	0.27	S	S	*	.	S	Bend	trans	-65.3	-29	175.4	-163.9	166.6	-176	0	0	112.3
49	R	89.8	Confident	94	Very high	159 Å²	159	51.4 Å²	51.4	60%	0.6	26%	0.261	S	S	*	.	S	Bend	trans	-129.3	112.1	175.7	-80.4	179.8	-173.3	-131.5	9.3	109.1	K47 E51 V52	K47-R49 PolarHBondContact O-N 2.92Å; R49-E51 VanDerWaalsContact C-N 3.25Å; R49-E51 WeakPolarHBondContact CB-OE1 3.45Å; R49-E51 WeakPolarHBondContact CB-OE2 3.45Å; R49-E51 VanDerWaalsContact CD-OE1 3.29Å; R49-E51 WeakPolarHBondContact CD-OE1 3.34Å; R49-E51 WeakPolarHBondContact CG-OE1 3.39Å; R49-E51 IonicContact NH1-OE1 3.76Å; R49-E51 PolarHBondContact O-N 2.73Å; R49-V52 HydrophobicContact CB-CG2 3.89Å
50	P	88.6	Confident	94.1	Very high	98 Å²	98	50.4 Å²	50.4	64%	0.636	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.2	-176.3	26.3	-34.7	0	0	0	113.1	K47 V52	K47-P50 PolarHBondContact NZ-O 3.22Å; P50-V52 VanDerWaalsContact C-N 3.3Å; P50-V52 PolarHBondContact O-N 3.36Å
51	E	89.3	Confident	94.1	Very high	125 Å²	125	49.1 Å²	49.1	58%	0.584	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.3	-175	70.7	-82.9	-167.6	0	0	114.8	R49	R49-E51 VanDerWaalsContact C-N 3.25Å; R49-E51 WeakPolarHBondContact CB-OE1 3.45Å; R49-E51 WeakPolarHBondContact CB-OE2 3.45Å; R49-E51 VanDerWaalsContact CD-OE1 3.29Å; R49-E51 WeakPolarHBondContact CD-OE1 3.34Å; R49-E51 WeakPolarHBondContact CG-OE1 3.39Å; R49-E51 IonicContact NH1-OE1 3.76Å; R49-E51 PolarHBondContact O-N 2.73Å
52	V	91.9	Very high	94.1	Very high	17 Å²	17	49.3 Å²	49.3	10%	0.103	25%	0.25	C	S	.	.	S	Bend	trans	-80.6	124.8	-177.1	-179.4	0	0	0	0	109.4	K47 R49 P50 L129 Y131	K47-V52 PolarHBondContact NZ-O 2.96Å; R49-V52 HydrophobicContact CB-CG2 3.89Å; P50-V52 VanDerWaalsContact C-N 3.3Å; P50-V52 PolarHBondContact O-N 3.36Å; V52-L129 HydrophobicContact CG1-CB 4.24Å; V52-L129 HydrophobicContact CG1-CD2 4.32Å; V52-Y131 HydrophobicContact CB-CE1 4.36Å; V52-Y131 HydrophobicContact CG1-CD1 4.02Å; V52-Y131 HydrophobicContact CG1-CE1 3.67Å; V52-Y131 HydrophobicContact CG1-CE2 4.43Å; V52-Y131 HydrophobicContact CG2-CD1 4.36Å; V52-Y131 HydrophobicContact CG2-CE1 3.69Å
53	E	93	Very high	94	Very high	151 Å²	151	51.5 Å²	51.5	71%	0.706	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	139.7	175.5	-67.2	-174.1	173.6	0	0	110.8	T130	E53-T130 PolarHBondContact O-N 3.49Å
54	A	93.6	Very high	93.8	Very high	15 Å²	15	52.2 Å²	52.2	12%	0.124	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	145.9	-176.5	0	0	0	0	0	111.2	K47 D102 R127 L128 L129	K47-A54 HydrophobicContact CD-CB 3.83Å; A54-D102 WeakPolarHBondContact O-CA 3.48Å; A54-D102 WeakPolarHBondContact O-CB 3.06Å; A54-D102 PolarHBondContact O-N 2.98Å; A54-R127 HydrophobicContact CB-CG 4.03Å; A54-L128 VanDerWaalsContact CA-O 3.23Å; A54-L128 WeakPolarHBondContact CA-O 3.06Å; A54-L129 HydrophobicContact CB-CD2 3.7Å
55	S	94.3	Very high	93.5	Very high	30 Å²	30	59.2 Å²	59.2	21%	0.21	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.3	160.5	-175.4	0	0	0	0	108.3	E78 N101 R127 L128	S55-E78 PolarHBondContact OG-OE1 2.8Å; S55-N101 WeakPolarHBondContact CA-O 3.24Å; S55-R127 CarbonylContact O-C 3.51Å; S55-R127 WeakPolarHBondContact O-CA 3.05Å; S55-L128 PolarHBondContact N-O 2.8Å; S55-L128 PolarHBondContact O-N 3.11Å
56	A	94.8	Very high	93	Very high	4 Å²	4	63 Å²	63	3%	0.033	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.5	179.7	0	0	0	0	0	111.1	N101 I103 H126 R127	A56-N101 PolarHBondContact N-O 2.69Å; A56-I103 HydrophobicContact CB-CB 4.04Å; A56-I103 VanDerWaalsContact O-CD1 3.28Å; A56-I103 WeakPolarHBondContact O-CD1 3.34Å; A56-H126 WeakPolarHBondContact CA-O 3.18Å; A56-R127 HydrophobicContact CB-CB 4.23Å; A56-R127 HydrophobicContact CB-CG 4.25Å
57	T	95.4	Very high	92.9	Very high	46 Å²	46	66.7 Å²	66.7	28%	0.282	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150.6	165.3	62.6	0	0	0	0	109.5	Y76 D77 H126	T57-Y76 WeakPolarHBondContact CA-O 3.38Å; T57-D77 HydrophobicContact CG2-CB 3.74Å; T57-H126 PolarHBondContact N-O 3.16Å; T57-H126 PolarHBondContact O-N 2.86Å; T57-H126 WeakPolarHBondContact OG1-CB 3.49Å
58	V	96.7	Very high	92.6	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.2	-173.9	176.3	0	0	0	0	110	N75 Y76 W94 I103 A106 F124 F125	V58-N75 CarbonylContact O-C 3.48Å; V58-N75 WeakPolarHBondContact O-CA 3.48Å; V58-Y76 PolarHBondContact N-O 3.07Å; V58-Y76 PolarHBondContact O-N 3.11Å; V58-W94 HydrophobicContact CB-CH2 4.46Å; V58-W94 HydrophobicContact CG1-CZ3 4.5Å; V58-W94 HydrophobicContact CG2-CH2 4.23Å; V58-I103 HydrophobicContact CG2-CD1 4.32Å; V58-I103 HydrophobicContact CG2-CG2 3.98Å; V58-A106 HydrophobicContact CB-CB 4.35Å; V58-A106 HydrophobicContact CG1-CB 3.7Å; V58-A106 HydrophobicContact CG2-CB 3.76Å; V58-F124 VanDerWaalsContact CA-O 3.28Å; V58-F124 WeakPolarHBondContact CA-O 3.29Å; V58-F125 HydrophobicContact CG2-CD1 4.04Å; V58-F125 HydrophobicContact CG2-CE1 4.29Å
59	D	96.8	Very high	92.8	Very high	21 Å²	21	66.2 Å²	66.2	11%	0.112	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.9	171	-64.5	-34.3	0	0	0	110.8	Y61 H72 N75 C123 F124 H126	D59-Y61 HydrophobicContact CB-CD2 4.29Å; D59-Y61 HydrophobicContact CB-CE2 3.62Å; D59-H72 IonicContact OD1-CE1 3.51Å; D59-H72 IonicContact OD1-NE2 2.7Å; D59-N75 PolarHBondContact OD1-ND2 3.16Å; D59-C123 CarbonylContact O-C 3.56Å; D59-C123 VanDerWaalsContact O-CA 3.31Å; D59-C123 WeakPolarHBondContact O-CA 3.32Å; D59-F124 HydrophobicContact CB-CB 4.38Å; D59-F124 PolarHBondContact N-O 3.11Å; D59-F124 PolarHBondContact O-N 3.35Å; D59-H126 IonicContact OD2-CD2 3.44Å; D59-H126 IonicContact OD2-NE2 3.89Å; D59-H126 PolarHBondContact OD2-NE2 2.75Å
60	W	97.4	Very high	93.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.1	173.9	-82.7	93.9	0	0	0	110.5	L41 C43 H72 I73 Y74 A106 I108 R122 C123	L41-W60 HydrophobicContact CB-CH2 4.11Å; C43-W60 HydrophobicContact CB-CH2 3.57Å; C43-W60 HydrophobicContact CB-CZ2 3.39Å; W60-H72 PolarHBondContact O-CD2 3.11Å; W60-H72 VanDerWaalsContact O-CD2 3.31Å; W60-I73 HydrophobicContact CB-CD1 4.13Å; W60-I73 HydrophobicContact CB-CG1 3.84Å; W60-I73 WeakPolarHBondContact O-CG1 3.45Å; W60-I73 PolarHBondContact O-N 3.02Å; W60-Y74 PolarHBondContact N-O 2.93Å; W60-Y74 PolarHBondContact O-N 2.85Å; W60-A106 WeakPolarHBondContact CZ2-O 3.4Å; W60-A106 PolarHBondContact NE1-O 2.84Å; W60-A106 VanDerWaalsContact NE1-O 3.11Å; W60-I108 HydrophobicContact CD2-CD1 3.83Å; W60-I108 HydrophobicContact CD2-CG1 4.39Å; W60-I108 HydrophobicContact CE3-CD1 4.26Å; W60-I108 HydrophobicContact CG-CD1 4.04Å; W60-I108 HydrophobicContact CZ2-CD1 4.37Å; W60-I108 HydrophobicContact CZ2-CG1 4.05Å; W60-R122 WeakPolarHBondContact CA-O 3.42Å; W60-C123 HydrophobicContact CD2-CB 3.81Å; W60-C123 HydrophobicContact CE3-CB 3.91Å; W60-C123 HydrophobicContact CG-CB 4.49Å; W60-C123 HydrophobicContact CH2-CB 3.96Å; W60-C123 HydrophobicContact CZ2-CB 3.84Å; W60-C123 HydrophobicContact CZ3-CB 3.96Å
61	Y	96.8	Very high	93.4	Very high	63 Å²	63	58.1 Å²	58.1	25%	0.247	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.4	176.2	-68.4	-101.4	0	0	0	110.4	D59 F70 A71 H72 Y121 R122 F124	D59-Y61 HydrophobicContact CB-CD2 4.29Å; D59-Y61 HydrophobicContact CB-CE2 3.62Å; Y61-F70 HydrophobicContact CD1-CB 4.16Å; Y61-F70 HydrophobicContact CG-CB 4.49Å; Y61-A71 CarbonylContact C-O 3.5Å; Y61-A71 WeakPolarHBondContact CA-O 3.42Å; Y61-H72 HydrophobicContact CD1-CB 4Å; Y61-H72 HydrophobicContact CE1-CB 3.64Å; Y61-H72 AromaticContact CZ-CD2 3.96Å; Y61-Y121 CarbonylContact O-C 3.52Å; Y61-Y121 WeakPolarHBondContact O-CA 3.41Å; Y61-R122 PolarHBondContact N-O 2.88Å; Y61-R122 PolarHBondContact O-N 3.37Å; Y61-F124 AromaticContact CD2-CD2 3.49Å; Y61-F124 HydrophobicContact CD2-CD2 3.49Å; Y61-F124 VanDerWaalsContact CD2-CD2 3.49Å; Y61-F124 AromaticContact CD2-CE2 3.58Å; Y61-F124 HydrophobicContact CD2-CE2 3.58Å; Y61-F124 AromaticContact CE2-CD2 3.59Å; Y61-F124 HydrophobicContact CE2-CD2 3.59Å; Y61-F124 AromaticContact CE2-CE2 3.82Å; Y61-F124 HydrophobicContact CE2-CE2 3.82Å; Y61-F124 HydrophobicContact CG-CE2 4.32Å
62	F	96.6	Very high	93.7	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.3	177.6	174	-118.3	0	0	0	110.8	A64 A71 I73 F88 Y121	F62-A64 HydrophobicContact CE1-CB 3.83Å; F62-A64 HydrophobicContact CZ-CB 3.91Å; F62-A71 PolarHBondContact N-O 2.02Å; F62-A71 PolarHBondContact O-N 3.06Å; F62-I73 HydrophobicContact CB-CD1 4.04Å; F62-I73 HydrophobicContact CB-CG1 4.33Å; F62-I73 HydrophobicContact CB-CG2 3.61Å; F62-F88 HydrophobicContact CB-CE2 4.45Å; F62-F88 HydrophobicContact CB-CZ 4.38Å; F62-F88 AromaticContact CD1-CE2 3.93Å; F62-F88 HydrophobicContact CD1-CE2 3.93Å; F62-F88 AromaticContact CD1-CZ 3.84Å; F62-F88 HydrophobicContact CD1-CZ 3.84Å; F62-F88 HydrophobicContact CE1-CZ 4.22Å; F62-F88 HydrophobicContact CG-CE2 4.34Å; F62-F88 HydrophobicContact CG-CZ 4.03Å; F62-Y121 HydrophobicContact CB-CD1 4.18Å; F62-Y121 HydrophobicContact CB-CE1 4.07Å; F62-Y121 AromaticContact CD2-CD1 3.85Å; F62-Y121 HydrophobicContact CD2-CD1 3.85Å; F62-Y121 HydrophobicContact CD2-CD2 4.07Å; F62-Y121 AromaticContact CD2-CE1 3.46Å; F62-Y121 HydrophobicContact CD2-CE1 3.46Å; F62-Y121 VanDerWaalsContact CD2-CE1 3.46Å; F62-Y121 AromaticContact CD2-CE2 3.68Å; F62-Y121 HydrophobicContact CD2-CE2 3.68Å; F62-Y121 HydrophobicContact CD2-CG 4.14Å; F62-Y121 AromaticContact CD2-CZ 3.37Å; F62-Y121 HydrophobicContact CE2-CD2 4.4Å; F62-Y121 HydrophobicContact CE2-CE1 4.16Å; F62-Y121 AromaticContact CE2-CE2 3.71Å; F62-Y121 HydrophobicContact CE2-CE2 3.71Å; F62-Y121 AromaticContact CE2-CZ 3.58Å; F62-Y121 HydrophobicContact CG-CD1 4.41Å; F62-Y121 AromaticContact CG-CE1 3.99Å; F62-Y121 HydrophobicContact CG-CE1 3.99Å
63	K	95.6	Very high	93.8	Very high	59 Å²	59	54.1 Å²	54.1	26%	0.257	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	114.9	169.5	-179.2	174.4	76.9	165.3	0	109.1	E67 A68 D69 F70 G119 T120	K63-E67 WeakPolarHBondContact CD-O 3.47Å; K63-E67 HydrophobicContact CG-CB 4.42Å; K63-A68 WeakPolarHBondContact CD-O 3.34Å; K63-D69 WeakPolarHBondContact CG-O 3.25Å; K63-F70 HydrophobicContact CB-CD1 3.68Å; K63-F70 HydrophobicContact CB-CD2 4.43Å; K63-F70 HydrophobicContact CB-CE1 3.66Å; K63-F70 HydrophobicContact CB-CE2 4.42Å; K63-F70 HydrophobicContact CB-CG 4.08Å; K63-F70 HydrophobicContact CB-CZ 4.06Å; K63-F70 HydrophobicContact CD-CD2 4.34Å; K63-F70 HydrophobicContact CD-CE2 4.09Å; K63-F70 HydrophobicContact CD-CZ 4.29Å; K63-G119 CarbonylContact O-C 3.59Å; K63-G119 VanDerWaalsContact O-CA 3.3Å; K63-G119 WeakPolarHBondContact O-CA 3.43Å; K63-T120 PolarHBondContact N-O 3.38Å; K63-T120 PolarHBondContact O-N 3.22Å
64	A	93.1	Very high	93.9	Very high	17 Å²	17	47 Å²	47	14%	0.14	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	157	178.3	0	0	0	0	0	111.4	F62 G66 E67	F62-A64 HydrophobicContact CE1-CB 3.83Å; F62-A64 HydrophobicContact CZ-CB 3.91Å; A64-G66 PolarHBondContact O-N 3.45Å; A64-E67 HydrophobicContact CB-CB 4.49Å; A64-E67 HydrophobicContact CB-CG 4.14Å; A64-E67 WeakPolarHBondContact CB-OE2 3.35Å; A64-E67 PolarHBondContact O-N 2.83Å; A64-E67 VanDerWaalsContact O-N 3.15Å
65	K	89.4	Confident	94	Very high	186 Å²	186	47.5 Å²	47.5	81%	0.809	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	109.5	177	-171.2	179.6	-177.7	179.3	0	110.7	S118	K65-S118 PolarHBondContact N-O 2.87Å
66	G	85.9	Confident	94	Very high	83 Å²	83	47.9 Å²	47.9	86%	0.856	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.3	-9.6	179.8	0	0	0	0	0	114.2	A64	A64-G66 PolarHBondContact O-N 3.45Å
67	E	89.9	Confident	93.9	Very high	99 Å²	99	49.7 Å²	49.7	46%	0.463	28%	0.279	S	S	.	.			trans	-86.4	152.8	171.5	-70.5	177.5	176.9	0	0	111.4	K63 A64	K63-E67 WeakPolarHBondContact CD-O 3.47Å; K63-E67 HydrophobicContact CG-CB 4.42Å; A64-E67 HydrophobicContact CB-CB 4.49Å; A64-E67 HydrophobicContact CB-CG 4.14Å; A64-E67 WeakPolarHBondContact CB-OE2 3.35Å; A64-E67 PolarHBondContact O-N 2.83Å; A64-E67 VanDerWaalsContact O-N 3.15Å
68	A	87.5	Confident	93.5	Very high	81 Å²	81	54 Å²	54	67%	0.669	30%	0.295	S	S	*	.	S	Bend	trans	-87.6	-39.8	179.7	0	0	0	0	0	112.4	K63	K63-A68 WeakPolarHBondContact CD-O 3.34Å
69	D	93.2	Very high	92.9	Very high	132 Å²	132	62.1 Å²	62.1	71%	0.706	33%	0.333	S	S	*	.	S	Bend	trans	-104.3	157.3	-167.3	-61.5	-39.7	0	0	0	113	K63	K63-D69 WeakPolarHBondContact CG-O 3.25Å
70	F	94.8	Very high	92.4	Very high	57 Å²	57	62 Å²	62	25%	0.25	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-94.2	128.6	176.4	-81.1	-86.5	0	0	0	110	Y61 K63 T120 R122 L143	Y61-F70 HydrophobicContact CD1-CB 4.16Å; Y61-F70 HydrophobicContact CG-CB 4.49Å; K63-F70 HydrophobicContact CB-CD1 3.68Å; K63-F70 HydrophobicContact CB-CD2 4.43Å; K63-F70 HydrophobicContact CB-CE1 3.66Å; K63-F70 HydrophobicContact CB-CE2 4.42Å; K63-F70 HydrophobicContact CB-CG 4.08Å; K63-F70 HydrophobicContact CB-CZ 4.06Å; K63-F70 HydrophobicContact CD-CD2 4.34Å; K63-F70 HydrophobicContact CD-CE2 4.09Å; K63-F70 HydrophobicContact CD-CZ 4.29Å; F70-T120 HydrophobicContact CE1-CG2 4.33Å; F70-T120 HydrophobicContact CZ-CG2 4.24Å; F70-R122 HydrophobicContact CD1-CB 4.27Å; F70-R122 HydrophobicContact CE1-CB 3.82Å; F70-R122 HydrophobicContact CZ-CB 4.42Å; F70-L143 HydrophobicContact CZ-CD2 4.27Å
71	A	94.4	Very high	92.1	Very high	31 Å²	31	66.4 Å²	66.4	26%	0.256	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.9	170.5	0	0	0	0	0	110.1	Y61 F62 I73	Y61-A71 CarbonylContact C-O 3.5Å; Y61-A71 WeakPolarHBondContact CA-O 3.42Å; F62-A71 PolarHBondContact N-O 2.02Å; F62-A71 PolarHBondContact O-N 3.06Å; A71-I73 PolarHBondContact O-N 3.01Å
72	H	95.7	Very high	91.8	Very high	56 Å²	56	66.9 Å²	66.9	26%	0.259	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.7	173.5	-173.1	-157.9	0	0	0	109	D59 W60 Y61 Y74 V84	D59-H72 IonicContact OD1-CE1 3.51Å; D59-H72 IonicContact OD1-NE2 2.7Å; W60-H72 PolarHBondContact O-CD2 3.11Å; W60-H72 VanDerWaalsContact O-CD2 3.31Å; Y61-H72 HydrophobicContact CD1-CB 4Å; Y61-H72 HydrophobicContact CE1-CB 3.64Å; Y61-H72 AromaticContact CZ-CD2 3.96Å; H72-Y74 PolarHBondContact NE2-O 2.81Å; H72-V84 HydrophobicContact CB-CG1 4.37Å
73	I	95.8	Very high	91.6	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-33.4	-172.7	56.7	159.4	0	0	0	113.6	W60 F62 A71 V84 D85 F88 Y121	W60-I73 HydrophobicContact CB-CD1 4.13Å; W60-I73 HydrophobicContact CB-CG1 3.84Å; W60-I73 WeakPolarHBondContact O-CG1 3.45Å; W60-I73 PolarHBondContact O-N 3.02Å; F62-I73 HydrophobicContact CB-CD1 4.04Å; F62-I73 HydrophobicContact CB-CG1 4.33Å; F62-I73 HydrophobicContact CB-CG2 3.61Å; A71-I73 PolarHBondContact O-N 3.01Å; I73-V84 PolarHBondContact O-N 3.2Å; I73-D85 HydrophobicContact CB-CB 4.26Å; I73-D85 HydrophobicContact CG2-CB 3.94Å; I73-D85 PolarHBondContact O-N 3.47Å; I73-F88 HydrophobicContact CB-CD2 3.94Å; I73-F88 HydrophobicContact CB-CE2 4.25Å; I73-F88 HydrophobicContact CB-CG 4.4Å; I73-F88 HydrophobicContact CD1-CE1 4.44Å; I73-F88 HydrophobicContact CD1-CZ 4.41Å; I73-F88 HydrophobicContact CG2-CD2 3.63Å; I73-F88 HydrophobicContact CG2-CE2 3.55Å; I73-F88 HydrophobicContact CG2-CZ 4.39Å; I73-Y121 HydrophobicContact CD1-CD1 3.93Å; I73-Y121 HydrophobicContact CD1-CE1 3.87Å
74	Y	95	Very high	91.4	Very high	1 Å²	1	70.6 Å²	70.6	0%	0.004	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	136.8	-169.6	-177.2	-82.7	0	0	0	110.6	W60 H72 Q81 H82 I83 V92 W94 I108	W60-Y74 PolarHBondContact N-O 2.93Å; W60-Y74 PolarHBondContact O-N 2.85Å; H72-Y74 PolarHBondContact NE2-O 2.81Å; Y74-Q81 HydrophobicContact CE2-CB 4.09Å; Y74-Q81 WeakPolarHBondContact OH-CB 3.4Å; Y74-Q81 PolarHBondContact OH-OE1 3.39Å; Y74-H82 WeakPolarHBondContact CA-O 3.28Å; Y74-I83 HydrophobicContact CD2-CG1 3.99Å; Y74-I83 HydrophobicContact CE2-CG1 4.22Å; Y74-V92 HydrophobicContact CD2-CB 4.3Å; Y74-V92 HydrophobicContact CD2-CG1 3.69Å; Y74-V92 HydrophobicContact CE2-CG1 3.88Å; Y74-V92 HydrophobicContact CG-CG1 4.32Å; Y74-W94 HydrophobicContact CE1-CE3 4.04Å; Y74-W94 HydrophobicContact CE1-CZ3 4.44Å; Y74-W94 WeakPolarHBondContact OH-CB 3.33Å; Y74-I108 HydrophobicContact CD1-CG2 4.17Å; Y74-I108 HydrophobicContact CE1-CG2 4.01Å
75	N	95.2	Very high	91.2	Very high	26 Å²	26	71.1 Å²	71.1	14%	0.139	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.5	176.4	167.7	-81.4	0	0	0	109.5	V58 D59 H82	V58-N75 CarbonylContact O-C 3.48Å; V58-N75 WeakPolarHBondContact O-CA 3.48Å; D59-N75 PolarHBondContact OD1-ND2 3.16Å; N75-H82 HydrophobicContact CB-CB 4.31Å; N75-H82 PolarHBondContact N-O 3.46Å; N75-H82 PolarHBondContact O-N 2.94Å
76	Y	94.3	Very high	91.3	Very high	39 Å²	39	70.2 Å²	70.2	15%	0.153	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.6	171	-170.6	-84.8	0	0	0	110.5	T57 V58 G80 Q81 W94 I103	T57-Y76 WeakPolarHBondContact CA-O 3.38Å; V58-Y76 PolarHBondContact N-O 3.07Å; V58-Y76 PolarHBondContact O-N 3.11Å; Y76-G80 WeakPolarHBondContact CA-O 3.08Å; Y76-G80 WeakPolarHBondContact CD2-O 3.28Å; Y76-Q81 HydrophobicContact CD2-CB 4.16Å; Y76-W94 HydrophobicContact CD1-CH2 4.1Å; Y76-W94 AromaticContact CD1-CZ2 3.96Å; Y76-W94 HydrophobicContact CD1-CZ2 3.96Å; Y76-W94 HydrophobicContact CD2-CB 4.35Å; Y76-W94 AromaticContact CD2-CD2 3.76Å; Y76-W94 HydrophobicContact CD2-CD2 3.76Å; Y76-W94 AromaticContact CD2-CE3 3.99Å; Y76-W94 HydrophobicContact CD2-CE3 3.99Å; Y76-W94 AromaticContact CD2-CG 3.92Å; Y76-W94 HydrophobicContact CD2-CG 3.92Å; Y76-W94 HydrophobicContact CD2-CZ3 4.44Å; Y76-W94 HydrophobicContact CE1-CZ2 4.08Å; Y76-W94 HydrophobicContact CE2-CB 4.21Å; Y76-W94 AromaticContact CE2-CD1 3.57Å; Y76-W94 AromaticContact CE2-CD2 3.89Å; Y76-W94 HydrophobicContact CE2-CD2 3.89Å; Y76-W94 AromaticContact CE2-CE2 3.95Å; Y76-W94 AromaticContact CE2-CG 3.69Å; Y76-W94 HydrophobicContact CE2-CG 3.69Å; Y76-W94 AromaticContact CE2-NE1 3.79Å; Y76-W94 HydrophobicContact CG-CD2 4.13Å; Y76-W94 HydrophobicContact CG-CE3 4.09Å; Y76-W94 HydrophobicContact CG-CH2 4.09Å; Y76-W94 HydrophobicContact CG-CZ2 4.2Å; Y76-W94 HydrophobicContact CG-CZ3 4.07Å; Y76-W94 AromaticContact CZ-CD1 3.85Å; Y76-W94 AromaticContact CZ-CE2 3.95Å; Y76-W94 AromaticContact CZ-NE1 3.66Å; Y76-I103 HydrophobicContact CD1-CD1 3.36Å; Y76-I103 HydrophobicContact CE1-CD1 3.52Å
77	D	91.7	Very high	91.5	Very high	42 Å²	42	71.7 Å²	71.7	23%	0.225	37%	0.365	C	S	.	.			trans	-138.5	-161.4	-178.8	67.6	11.5	0	0	0	111.5	T57 E79 G80 H82	T57-D77 HydrophobicContact CG2-CB 3.74Å; D77-E79 VanDerWaalsContact C-N 3.27Å; D77-E79 PolarHBondContact O-N 2.89Å; D77-E79 WeakPolarHBondContact OD1-CA 3.09Å; D77-E79 WeakPolarHBondContact OD1-CB 3.2Å; D77-E79 PolarHBondContact OD1-N 2.86Å; D77-G80 PolarHBondContact N-O 2.97Å; D77-G80 VanDerWaalsContact N-O 3.11Å; D77-G80 PolarHBondContact O-N 2.84Å; D77-G80 PolarHBondContact OD1-N 2.89Å; D77-G80 VanDerWaalsContact OD1-N 3.16Å; D77-H82 IonicContact OD1-CD2 3.79Å; D77-H82 IonicContact OD1-NE2 3.7Å
78	E	86.7	Confident	91.6	Very high	136 Å²	136	67 Å²	67	64%	0.636	34%	0.344	S	S	*	.	S	Bend	trans	-69.3	-23.1	180	-58.7	-167.6	161.2	0	0	113.2	S55 N101	S55-E78 PolarHBondContact OG-OE1 2.8Å; E78-N101 PolarHBondContact OE1-ND2 2.9Å; E78-N101 VanDerWaalsContact OE1-ND2 3.07Å
79	E	85.7	Confident	91.8	Very high	171 Å²	171	68.5 Å²	68.5	80%	0.799	34%	0.337	S	S	*	.	S	Bend	trans	-82.7	-21.5	177.3	-60.9	-177	-175.2	0	0	111.5	D77	D77-E79 VanDerWaalsContact C-N 3.27Å; D77-E79 PolarHBondContact O-N 2.89Å; D77-E79 WeakPolarHBondContact OD1-CA 3.09Å; D77-E79 WeakPolarHBondContact OD1-CB 3.2Å; D77-E79 PolarHBondContact OD1-N 2.86Å
80	G	86.7	Confident	91.6	Very high	17 Å²	17	69.6 Å²	69.6	18%	0.175	34%	0.342	C	S	.	.			trans	127.3	-137.5	167.9	0	0	0	0	0	112.3	Y76 D77	Y76-G80 WeakPolarHBondContact CA-O 3.08Å; Y76-G80 WeakPolarHBondContact CD2-O 3.28Å; D77-G80 PolarHBondContact N-O 2.97Å; D77-G80 VanDerWaalsContact N-O 3.11Å; D77-G80 PolarHBondContact O-N 2.84Å; D77-G80 PolarHBondContact OD1-N 2.89Å; D77-G80 VanDerWaalsContact OD1-N 3.16Å
81	Q	89.9	Confident	91.6	Very high	93 Å²	93	69.2 Å²	69.2	44%	0.435	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.4	-178.9	61.2	-178.4	-30.7	0	0	112.2	Y74 Y76 D93	Y74-Q81 HydrophobicContact CE2-CB 4.09Å; Y74-Q81 WeakPolarHBondContact OH-CB 3.4Å; Y74-Q81 PolarHBondContact OH-OE1 3.39Å; Y76-Q81 HydrophobicContact CD2-CB 4.16Å; Q81-D93 PolarHBondContact NE2-OD1 3.07Å; Q81-D93 PolarHBondContact OE1-OD1 2.97Å
82	H	91.7	Very high	91.6	Very high	74 Å²	74	68.1 Å²	68.1	34%	0.343	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.8	178	-63.6	-73	0	0	0	110.3	Y74 N75 D77	Y74-H82 WeakPolarHBondContact CA-O 3.28Å; N75-H82 HydrophobicContact CB-CB 4.31Å; N75-H82 PolarHBondContact N-O 3.46Å; N75-H82 PolarHBondContact O-N 2.94Å; D77-H82 IonicContact OD1-CD2 3.79Å; D77-H82 IonicContact OD1-NE2 3.7Å
83	I	91.3	Very high	91.5	Very high	62 Å²	62	68.2 Å²	68.2	32%	0.318	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126	174.8	-54.1	175.8	0	0	0	108.1	Y74 D85 F88	Y74-I83 HydrophobicContact CD2-CG1 3.99Å; Y74-I83 HydrophobicContact CE2-CG1 4.22Å; I83-D85 WeakPolarHBondContact CG2-O 3.43Å; I83-F88 HydrophobicContact CG2-CB 4.32Å
84	V	90.9	Very high	91.5	Very high	78 Å²	78	68.5 Å²	68.5	47%	0.473	33%	0.333	S	S	.	.			trans	-101.1	-32.7	-174.4	-178.4	0	0	0	0	111.9	H72 I73	H72-V84 HydrophobicContact CB-CG1 4.37Å; I73-V84 PolarHBondContact O-N 3.2Å
85	D	90.3	Very high	91.5	Very high	28 Å²	28	70.5 Å²	70.5	15%	0.15	35%	0.347	C	S	.	.			trans	-106.8	122.7	-177.9	-171.8	-34.3	0	0	0	110.3	I73 I83 R87 F88	I73-D85 HydrophobicContact CB-CB 4.26Å; I73-D85 HydrophobicContact CG2-CB 3.94Å; I73-D85 PolarHBondContact O-N 3.47Å; I83-D85 WeakPolarHBondContact CG2-O 3.43Å; D85-R87 PolarHBondContact O-N 2.86Å; D85-R87 VanDerWaalsContact O-N 3.09Å; D85-R87 VanDerWaalsContact OD1-CB 3.25Å; D85-R87 WeakPolarHBondContact OD1-CB 3.34Å; D85-R87 VanDerWaalsContact OD1-CG 3.25Å; D85-R87 WeakPolarHBondContact OD1-CG 3.34Å; D85-R87 PolarHBondContact OD1-N 3.44Å; D85-R87 IonicContact OD1-NE 3.16Å; D85-R87 PolarHBondContact OD1-NE 2.81Å; D85-R87 VanDerWaalsContact OD1-NE 3.16Å; D85-R87 IonicContact OD2-CZ 3.28Å; D85-R87 VanDerWaalsContact OD2-CZ 3.28Å; D85-R87 IonicContact OD2-NE 3.03Å; D85-R87 PolarHBondContact OD2-NE 2.98Å; D85-R87 IonicContact OD2-NH2 3.74Å; D85-R87 PolarHBondContact OD2-NH2 3Å; D85-F88 HydrophobicContact CB-CD2 4.18Å; D85-F88 PolarHBondContact O-N 3.38Å
86	E	90.3	Very high	91.3	Very high	168 Å²	168	69.8 Å²	69.8	79%	0.785	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-55.6	-27	179.8	-64	179.7	178.2	0	0	112.8	F88 E89	E86-F88 PolarHBondContact O-N 2.81Å; E86-F88 VanDerWaalsContact O-N 3.16Å; E86-E89 WeakPolarHBondContact O-CB 3.38Å; E86-E89 PolarHBondContact O-N 2.75Å
87	R	89.9	Confident	91.1	Very high	113 Å²	113	69.6 Å²	69.6	43%	0.426	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23.6	177.9	-63.9	-179.5	-67.1	178.1	-0.2	113.3	D85 R91	D85-R87 PolarHBondContact O-N 2.86Å; D85-R87 VanDerWaalsContact O-N 3.09Å; D85-R87 VanDerWaalsContact OD1-CB 3.25Å; D85-R87 WeakPolarHBondContact OD1-CB 3.34Å; D85-R87 VanDerWaalsContact OD1-CG 3.25Å; D85-R87 WeakPolarHBondContact OD1-CG 3.34Å; D85-R87 PolarHBondContact OD1-N 3.44Å; D85-R87 IonicContact OD1-NE 3.16Å; D85-R87 PolarHBondContact OD1-NE 2.81Å; D85-R87 VanDerWaalsContact OD1-NE 3.16Å; D85-R87 IonicContact OD2-CZ 3.28Å; D85-R87 VanDerWaalsContact OD2-CZ 3.28Å; D85-R87 IonicContact OD2-NE 3.03Å; D85-R87 PolarHBondContact OD2-NE 2.98Å; D85-R87 IonicContact OD2-NH2 3.74Å; D85-R87 PolarHBondContact OD2-NH2 3Å; R87-R91 PolarHBondContact O-NH1 2.84Å
88	F	92.1	Very high	90.8	Very high	2 Å²	2	74 Å²	74	1%	0.009	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-108.4	-0.1	-176.8	-68.9	-84.5	0	0	0	112.7	F62 I73 I83 D85 E86 R91 V92 L110 Y121	F62-F88 HydrophobicContact CB-CE2 4.45Å; F62-F88 HydrophobicContact CB-CZ 4.38Å; F62-F88 AromaticContact CD1-CE2 3.93Å; F62-F88 HydrophobicContact CD1-CE2 3.93Å; F62-F88 AromaticContact CD1-CZ 3.84Å; F62-F88 HydrophobicContact CD1-CZ 3.84Å; F62-F88 HydrophobicContact CE1-CZ 4.22Å; F62-F88 HydrophobicContact CG-CE2 4.34Å; F62-F88 HydrophobicContact CG-CZ 4.03Å; I73-F88 HydrophobicContact CB-CD2 3.94Å; I73-F88 HydrophobicContact CB-CE2 4.25Å; I73-F88 HydrophobicContact CB-CG 4.4Å; I73-F88 HydrophobicContact CD1-CE1 4.44Å; I73-F88 HydrophobicContact CD1-CZ 4.41Å; I73-F88 HydrophobicContact CG2-CD2 3.63Å; I73-F88 HydrophobicContact CG2-CE2 3.55Å; I73-F88 HydrophobicContact CG2-CZ 4.39Å; I83-F88 HydrophobicContact CG2-CB 4.32Å; D85-F88 HydrophobicContact CB-CD2 4.18Å; D85-F88 PolarHBondContact O-N 3.38Å; E86-F88 PolarHBondContact O-N 2.81Å; E86-F88 VanDerWaalsContact O-N 3.16Å; F88-R91 PolarHBondContact O-N 3.49Å; F88-V92 HydrophobicContact CB-CG2 3.83Å; F88-V92 HydrophobicContact CD1-CG2 3.69Å; F88-V92 HydrophobicContact CG-CG2 4.21Å; F88-V92 PolarHBondContact O-N 2.96Å; F88-L110 HydrophobicContact CD1-CD1 3.89Å; F88-L110 HydrophobicContact CE1-CD1 4.11Å; F88-Y121 HydrophobicContact CE1-CE1 4.13Å; F88-Y121 HydrophobicContact CZ-CE1 4.19Å
89	E	91.7	Very high	90.5	Very high	112 Å²	112	76.7 Å²	76.7	52%	0.523	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	138.9	176	-165.2	171.5	-160.4	0	0	110.9	E86 R91	E86-E89 WeakPolarHBondContact O-CB 3.38Å; E86-E89 PolarHBondContact O-N 2.75Å; E89-R91 WeakPolarHBondContact O-CG 3.48Å; E89-R91 PolarHBondContact O-N 3.34Å
90	D	90.4	Very high	90.4	Very high	155 Å²	155	71.2 Å²	71.2	83%	0.829	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	11	-175.3	-63.1	-34.7	0	0	0	116.1
91	R	94.3	Very high	90.5	Very high	48 Å²	48	74.6 Å²	74.6	18%	0.181	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-14.2	-177.3	-67.2	178.9	65.4	-149.7	-0.5	113.8	R87 F88 E89 L110 F111 N112 D117	R87-R91 PolarHBondContact O-NH1 2.84Å; F88-R91 PolarHBondContact O-N 3.49Å; E89-R91 WeakPolarHBondContact O-CG 3.48Å; E89-R91 PolarHBondContact O-N 3.34Å; R91-L110 HydrophobicContact CB-CD1 4.37Å; R91-L110 CarbonylContact O-C 3.52Å; R91-L110 WeakPolarHBondContact O-CA 3.43Å; R91-F111 PolarHBondContact NE-O 2.93Å; R91-F111 WeakPolarHBondContact O-CD2 3.33Å; R91-F111 PolarHBondContact O-N 3.41Å; R91-N112 PolarHBondContact NH2-O 2.91Å; R91-D117 IonicContact CZ-OD1 3.56Å; R91-D117 IonicContact CZ-OD2 3.99Å; R91-D117 IonicContact NH1-OD1 2.73Å; R91-D117 PolarHBondContact NH1-OD1 2.81Å; R91-D117 IonicContact NH1-OD2 3.39Å; R91-D117 IonicContact NH2-OD1 3.71Å; R91-D117 IonicContact NH2-OD2 3.65Å; R91-D117 PolarHBondContact NH2-OD2 3.42Å
92	V	94.7	Very high	90.5	Very high	9 Å²	9	71.6 Å²	71.6	6%	0.055	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.6	179.9	-179.2	0	0	0	0	109.6	Y74 F88 I108 Y109 L110	Y74-V92 HydrophobicContact CD2-CB 4.3Å; Y74-V92 HydrophobicContact CD2-CG1 3.69Å; Y74-V92 HydrophobicContact CE2-CG1 3.88Å; Y74-V92 HydrophobicContact CG-CG1 4.32Å; F88-V92 HydrophobicContact CB-CG2 3.83Å; F88-V92 HydrophobicContact CD1-CG2 3.69Å; F88-V92 HydrophobicContact CG-CG2 4.21Å; F88-V92 PolarHBondContact O-N 2.96Å; V92-I108 HydrophobicContact CG1-CB 3.95Å; V92-I108 HydrophobicContact CG1-CD1 4.04Å; V92-I108 HydrophobicContact CG1-CG1 4.45Å; V92-I108 HydrophobicContact CG1-CG2 4.34Å; V92-Y109 WeakPolarHBondContact CA-O 3.39Å; V92-L110 HydrophobicContact CG2-CD1 3.67Å
93	D	94.3	Very high	90.6	Very high	58 Å²	58	68.2 Å²	68.2	31%	0.31	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.7	173.1	-174.6	28.9	0	0	0	110.9	Q81 S95 Y109 F111	Q81-D93 PolarHBondContact NE2-OD1 3.07Å; Q81-D93 PolarHBondContact OE1-OD1 2.97Å; D93-S95 PolarHBondContact O-N 3.46Å; D93-Y109 PolarHBondContact N-O 2.53Å; D93-Y109 PolarHBondContact O-N 2.91Å; D93-F111 HydrophobicContact CB-CE2 3.77Å; D93-F111 HydrophobicContact CB-CZ 4.49Å
94	W	94.8	Very high	90.7	Very high	6 Å²	6	67.2 Å²	67.2	2%	0.023	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.3	179.1	-175	-121.4	0	0	0	111.8	V58 Y74 Y76 S97 K98 I103 A106 I108	V58-W94 HydrophobicContact CB-CH2 4.46Å; V58-W94 HydrophobicContact CG1-CZ3 4.5Å; V58-W94 HydrophobicContact CG2-CH2 4.23Å; Y74-W94 HydrophobicContact CE1-CE3 4.04Å; Y74-W94 HydrophobicContact CE1-CZ3 4.44Å; Y74-W94 WeakPolarHBondContact OH-CB 3.33Å; Y76-W94 HydrophobicContact CD1-CH2 4.1Å; Y76-W94 AromaticContact CD1-CZ2 3.96Å; Y76-W94 HydrophobicContact CD1-CZ2 3.96Å; Y76-W94 HydrophobicContact CD2-CB 4.35Å; Y76-W94 AromaticContact CD2-CD2 3.76Å; Y76-W94 HydrophobicContact CD2-CD2 3.76Å; Y76-W94 AromaticContact CD2-CE3 3.99Å; Y76-W94 HydrophobicContact CD2-CE3 3.99Å; Y76-W94 AromaticContact CD2-CG 3.92Å; Y76-W94 HydrophobicContact CD2-CG 3.92Å; Y76-W94 HydrophobicContact CD2-CZ3 4.44Å; Y76-W94 HydrophobicContact CE1-CZ2 4.08Å; Y76-W94 HydrophobicContact CE2-CB 4.21Å; Y76-W94 AromaticContact CE2-CD1 3.57Å; Y76-W94 AromaticContact CE2-CD2 3.89Å; Y76-W94 HydrophobicContact CE2-CD2 3.89Å; Y76-W94 AromaticContact CE2-CE2 3.95Å; Y76-W94 AromaticContact CE2-CG 3.69Å; Y76-W94 HydrophobicContact CE2-CG 3.69Å; Y76-W94 AromaticContact CE2-NE1 3.79Å; Y76-W94 HydrophobicContact CG-CD2 4.13Å; Y76-W94 HydrophobicContact CG-CE3 4.09Å; Y76-W94 HydrophobicContact CG-CH2 4.09Å; Y76-W94 HydrophobicContact CG-CZ2 4.2Å; Y76-W94 HydrophobicContact CG-CZ3 4.07Å; Y76-W94 AromaticContact CZ-CD1 3.85Å; Y76-W94 AromaticContact CZ-CE2 3.95Å; Y76-W94 AromaticContact CZ-NE1 3.66Å; W94-S97 PolarHBondContact NE1-O 2.92Å; W94-K98 WeakPolarHBondContact O-CE 3.44Å; W94-K98 PolarHBondContact O-NZ 3.07Å; W94-I103 HydrophobicContact CH2-CG2 3.92Å; W94-I103 HydrophobicContact CZ2-CD1 4.31Å; W94-I103 HydrophobicContact CZ2-CG2 3.83Å; W94-A106 VanDerWaalsContact CH2-CA 3.4Å; W94-A106 HydrophobicContact CH2-CB 3.9Å; W94-A106 HydrophobicContact CZ3-CB 4.3Å; W94-I108 HydrophobicContact CE3-CG2 4.06Å; W94-I108 HydrophobicContact CZ3-CG2 4.38Å
95	S	94.4	Very high	90.8	Very high	43 Å²	43	65.6 Å²	65.6	30%	0.301	33%	0.329	S	S	.	.			trans	-114.6	7.4	174.9	-178	0	0	0	0	113	D93 S107	D93-S95 PolarHBondContact O-N 3.46Å; S95-S107 CarbonylContact C-O 3.54Å; S95-S107 VanDerWaalsContact C-O 3.26Å; S95-S107 WeakPolarHBondContact CA-O 3.38Å; S95-S107 PolarHBondContact N-O 2.77Å
96	G	91.9	Very high	91.1	Very high	12 Å²	12	64.2 Å²	64.2	12%	0.124	32%	0.322	C	S	.	.	S	Bend	trans	-86.5	-158.7	-178.2	0	0	0	0	0	114.1	K98 D105 S107	G96-K98 PolarHBondContact O-N 3Å; G96-D105 CarbonylContact C-O 3.58Å; G96-D105 WeakPolarHBondContact CA-O 3.27Å; G96-S107 PolarHBondContact N-O 3.31Å
97	S	90.2	Very high	91.4	Very high	34 Å²	34	56.3 Å²	56.3	24%	0.238	28%	0.284	C	S	.	.			trans	-65.7	125.1	176	-170.1	0	0	0	0	110.8	W94 D105	W94-S97 PolarHBondContact NE1-O 2.92Å; S97-D105 PolarHBondContact N-O 2.93Å
98	K	85	Confident	91.7	Very high	135 Å²	135	51 Å²	51	59%	0.587	26%	0.264	S	S	*	.			trans	-110.2	-14.2	-177.1	-67.3	-174.2	-173.6	-163.8	0	114.2	W94 G96	W94-K98 WeakPolarHBondContact O-CE 3.44Å; W94-K98 PolarHBondContact O-NZ 3.07Å; G96-K98 PolarHBondContact O-N 3Å
99	Q	79.4	Confident	91.9	Very high	192 Å²	192	54.6 Å²	54.6	90%	0.897	28%	0.279	S	S	*	.	S	Bend	trans	-100.2	-14.9	-164.1	-165.1	165.6	31.9	0	0	113.6
100	S	84.4	Confident	92.1	Very high	56 Å²	56	49.3 Å²	49.3	39%	0.392	25%	0.254	S	S	.	.			trans	-142	150.1	-176.1	60.2	0	0	0	0	111.5	D102	S100-D102 PolarHBondContact O-N 3.31Å; S100-D102 PolarHBondContact OG-O 3.08Å
101	N	88	Confident	92.4	Very high	88 Å²	88	46 Å²	46	47%	0.471	23%	0.232	S	C	.	.	S	Bend	trans	-68.9	-16.2	171.5	-59.6	11.3	0	0	0	111.6	S55 A56 E78 I103	S55-N101 WeakPolarHBondContact CA-O 3.24Å; A56-N101 PolarHBondContact N-O 2.69Å; E78-N101 PolarHBondContact OE1-ND2 2.9Å; E78-N101 VanDerWaalsContact OE1-ND2 3.07Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 3.01Å
102	D	91.3	Very high	92.4	Very high	30 Å²	30	48.8 Å²	48.8	16%	0.16	25%	0.251	C	S	.	.			trans	-75.6	84.2	168.3	-177	22.7	0	0	0	110.6	K47 A54 S100 Q104	K47-D102 WeakPolarHBondContact CD-OD1 3.45Å; K47-D102 VanDerWaalsContact CE-OD2 3.28Å; K47-D102 WeakPolarHBondContact CE-OD2 3.35Å; K47-D102 IonicContact NZ-OD1 3.46Å; K47-D102 IonicContact NZ-OD2 3.71Å; K47-D102 PolarHBondContact NZ-OD2 2.88Å; A54-D102 WeakPolarHBondContact O-CA 3.48Å; A54-D102 WeakPolarHBondContact O-CB 3.06Å; A54-D102 PolarHBondContact O-N 2.98Å; S100-D102 PolarHBondContact O-N 3.31Å; S100-D102 PolarHBondContact OG-O 3.08Å; D102-Q104 PolarHBondContact O-N 3.39Å; D102-Q104 PolarHBondContact OD2-NE2 2.91Å
103	I	92.9	Very high	92.5	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	25%	0.249	C	C	.	.			trans	-82.1	117	177.9	-51.5	178.5	0	0	0	109.6	A56 V58 Y76 W94 N101 D105 A106 R127	A56-I103 HydrophobicContact CB-CB 4.04Å; A56-I103 VanDerWaalsContact O-CD1 3.28Å; A56-I103 WeakPolarHBondContact O-CD1 3.34Å; V58-I103 HydrophobicContact CG2-CD1 4.32Å; V58-I103 HydrophobicContact CG2-CG2 3.98Å; Y76-I103 HydrophobicContact CD1-CD1 3.36Å; Y76-I103 HydrophobicContact CE1-CD1 3.52Å; W94-I103 HydrophobicContact CH2-CG2 3.92Å; W94-I103 HydrophobicContact CZ2-CD1 4.31Å; W94-I103 HydrophobicContact CZ2-CG2 3.83Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 3.01Å; I103-D105 WeakPolarHBondContact CG2-O 3.38Å; I103-A106 HydrophobicContact CG2-CB 4.4Å; I103-R127 PolarHBondContact O-NH2 3.13Å; I103-R127 VanDerWaalsContact O-NH2 3.08Å
104	Q	92.8	Very high	92.5	Very high	42 Å²	42	48.3 Å²	48.3	20%	0.196	25%	0.25	C	S	.	.			trans	-113.7	-33.7	172.5	-64.7	-174.5	61.8	0	0	112.2	C24 I44 S45 K47 D102	C24-Q104 PolarHBondContact SG-OE1 3.31Å; C24-Q104 VanDerWaalsContact SG-OE1 3.37Å; I44-Q104 WeakPolarHBondContact CA-O 3.47Å; S45-Q104 PolarHBondContact N-O 2.73Å; K47-Q104 HydrophobicContact CG-CG 4.49Å; D102-Q104 PolarHBondContact O-N 3.39Å; D102-Q104 PolarHBondContact OD2-NE2 2.91Å
105	D	94.8	Very high	92.5	Very high	43 Å²	43	53.8 Å²	53.8	23%	0.23	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-102.5	114.3	169.2	-175.3	-3.5	0	0	0	109.1	K40 I44 G96 S97 I103 S107	K40-D105 IonicContact NZ-OD2 2.69Å; I44-D105 HydrophobicContact CG1-CB 4.45Å; G96-D105 CarbonylContact C-O 3.58Å; G96-D105 WeakPolarHBondContact CA-O 3.27Å; S97-D105 PolarHBondContact N-O 2.93Å; I103-D105 WeakPolarHBondContact CG2-O 3.38Å; D105-S107 WeakPolarHBondContact OD1-CB 3.37Å; D105-S107 PolarHBondContact OD1-N 3.13Å; D105-S107 PolarHBondContact OD1-OG 2.84Å
106	A	95.6	Very high	92.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.294	C	S	.	.			trans	-109.2	27.8	179.6	0	0	0	0	0	113.3	C43 V58 W60 W94 I103 F125	C43-A106 HydrophobicContact CB-CB 4.4Å; C43-A106 WeakPolarHBondContact O-CA 3.38Å; C43-A106 PolarHBondContact O-N 3.48Å; V58-A106 HydrophobicContact CB-CB 4.35Å; V58-A106 HydrophobicContact CG1-CB 3.7Å; V58-A106 HydrophobicContact CG2-CB 3.76Å; W60-A106 WeakPolarHBondContact CZ2-O 3.4Å; W60-A106 PolarHBondContact NE1-O 2.84Å; W60-A106 VanDerWaalsContact NE1-O 3.11Å; W94-A106 VanDerWaalsContact CH2-CA 3.4Å; W94-A106 HydrophobicContact CH2-CB 3.9Å; W94-A106 HydrophobicContact CZ3-CB 4.3Å; I103-A106 HydrophobicContact CG2-CB 4.4Å; A106-F125 HydrophobicContact CB-CD1 4.34Å; A106-F125 HydrophobicContact CB-CE1 3.37Å; A106-F125 HydrophobicContact CB-CE2 4.41Å; A106-F125 HydrophobicContact CB-CZ 3.41Å; A106-F125 VanDerWaalsContact CB-CZ 3.41Å
107	S	96.5	Very high	92.6	Very high	1 Å²	1	58 Å²	58	1%	0.007	29%	0.29	C	S	.	.			trans	-65.8	136.9	-178.4	-59.8	0	0	0	0	112.8	K40 L41 G42 C43 S95 G96 D105	K40-S107 VanDerWaalsContact CE-OG 3.29Å; K40-S107 WeakPolarHBondContact CE-OG 3.44Å; L41-S107 WeakPolarHBondContact O-CA 3.31Å; L41-S107 WeakPolarHBondContact O-CB 3.31Å; G42-S107 WeakPolarHBondContact CA-OG 3.48Å; C43-S107 PolarHBondContact N-OG 2.94Å; S95-S107 CarbonylContact C-O 3.54Å; S95-S107 VanDerWaalsContact C-O 3.26Å; S95-S107 WeakPolarHBondContact CA-O 3.38Å; S95-S107 PolarHBondContact N-O 2.77Å; G96-S107 PolarHBondContact N-O 3.31Å; D105-S107 WeakPolarHBondContact OD1-CB 3.37Å; D105-S107 PolarHBondContact OD1-N 3.13Å; D105-S107 PolarHBondContact OD1-OG 2.84Å
108	I	96.4	Very high	92.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	149.7	172.7	61.1	175.2	0	0	0	110.3	L41 W60 Y74 V92 W94	L41-I108 HydrophobicContact CB-CG1 3.84Å; L41-I108 HydrophobicContact CD1-CD1 4.01Å; L41-I108 HydrophobicContact CD1-CG1 4.09Å; L41-I108 PolarHBondContact N-O 3.44Å; L41-I108 PolarHBondContact O-N 2.87Å; W60-I108 HydrophobicContact CD2-CD1 3.83Å; W60-I108 HydrophobicContact CD2-CG1 4.39Å; W60-I108 HydrophobicContact CE3-CD1 4.26Å; W60-I108 HydrophobicContact CG-CD1 4.04Å; W60-I108 HydrophobicContact CZ2-CD1 4.37Å; W60-I108 HydrophobicContact CZ2-CG1 4.05Å; Y74-I108 HydrophobicContact CD1-CG2 4.17Å; Y74-I108 HydrophobicContact CE1-CG2 4.01Å; V92-I108 HydrophobicContact CG1-CB 3.95Å; V92-I108 HydrophobicContact CG1-CD1 4.04Å; V92-I108 HydrophobicContact CG1-CG1 4.45Å; V92-I108 HydrophobicContact CG1-CG2 4.34Å; W94-I108 HydrophobicContact CE3-CG2 4.06Å; W94-I108 HydrophobicContact CZ3-CG2 4.38Å
109	Y	96.4	Very high	93.3	Very high	78 Å²	78	51.3 Å²	51.3	31%	0.306	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.3	174.5	-161.9	-90.7	0	0	0	109.7	G38 K40 V92 D93 F111	G38-Y109 WeakPolarHBondContact CA-OH 3.45Å; K40-Y109 HydrophobicContact CB-CD2 3.97Å; K40-Y109 HydrophobicContact CB-CE2 4.33Å; V92-Y109 WeakPolarHBondContact CA-O 3.39Å; D93-Y109 PolarHBondContact N-O 2.53Å; D93-Y109 PolarHBondContact O-N 2.91Å; Y109-F111 AromaticContact CD1-CD1 3.71Å; Y109-F111 HydrophobicContact CD1-CD1 3.71Å; Y109-F111 HydrophobicContact CD1-CD2 4.12Å; Y109-F111 AromaticContact CD1-CE1 3.41Å; Y109-F111 HydrophobicContact CD1-CE1 3.41Å; Y109-F111 VanDerWaalsContact CD1-CE1 3.41Å; Y109-F111 AromaticContact CD1-CE2 3.85Å; Y109-F111 HydrophobicContact CD1-CE2 3.85Å; Y109-F111 HydrophobicContact CD1-CG 4.05Å; Y109-F111 AromaticContact CD1-CZ 3.48Å; Y109-F111 HydrophobicContact CD1-CZ 3.48Å; Y109-F111 VanDerWaalsContact CD1-CZ 3.48Å; Y109-F111 AromaticContact CE1-CD1 3.51Å; Y109-F111 HydrophobicContact CE1-CD1 3.51Å; Y109-F111 AromaticContact CE1-CE1 3.35Å; Y109-F111 HydrophobicContact CE1-CE1 3.35Å; Y109-F111 HydrophobicContact CE1-CG 4.22Å; Y109-F111 AromaticContact CE1-CZ 3.93Å; Y109-F111 HydrophobicContact CE1-CZ 3.93Å; Y109-F111 HydrophobicContact CG-CZ 4.45Å
110	L	96.6	Very high	94.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.6	178.3	-178.2	64.6	0	0	0	109.6	G38 F39 F88 R91 V92 V113 D117	G38-L110 CarbonylContact C-O 3.56Å; G38-L110 VanDerWaalsContact CA-O 3.24Å; G38-L110 WeakPolarHBondContact CA-O 3.21Å; F39-L110 PolarHBondContact N-O 2.89Å; F39-L110 PolarHBondContact O-N 3.47Å; F88-L110 HydrophobicContact CD1-CD1 3.89Å; F88-L110 HydrophobicContact CE1-CD1 4.11Å; R91-L110 HydrophobicContact CB-CD1 4.37Å; R91-L110 CarbonylContact O-C 3.52Å; R91-L110 WeakPolarHBondContact O-CA 3.43Å; V92-L110 HydrophobicContact CG2-CD1 3.67Å; L110-V113 HydrophobicContact CB-CG2 4.41Å; L110-V113 HydrophobicContact CD2-CG2 3.94Å; L110-V113 HydrophobicContact CG-CG2 4Å; L110-D117 HydrophobicContact CD2-CB 4.11Å
111	F	96.1	Very high	94.8	Very high	85 Å²	85	40.5 Å²	40.5	37%	0.373	21%	0.207	S	C	.	.			trans	-85.1	148.4	177.3	-63.4	-78.8	0	0	0	112.1	R91 D93 Y109 V113	R91-F111 PolarHBondContact NE-O 2.93Å; R91-F111 WeakPolarHBondContact O-CD2 3.33Å; R91-F111 PolarHBondContact O-N 3.41Å; D93-F111 HydrophobicContact CB-CE2 3.77Å; D93-F111 HydrophobicContact CB-CZ 4.49Å; Y109-F111 AromaticContact CD1-CD1 3.71Å; Y109-F111 HydrophobicContact CD1-CD1 3.71Å; Y109-F111 HydrophobicContact CD1-CD2 4.12Å; Y109-F111 AromaticContact CD1-CE1 3.41Å; Y109-F111 HydrophobicContact CD1-CE1 3.41Å; Y109-F111 VanDerWaalsContact CD1-CE1 3.41Å; Y109-F111 AromaticContact CD1-CE2 3.85Å; Y109-F111 HydrophobicContact CD1-CE2 3.85Å; Y109-F111 HydrophobicContact CD1-CG 4.05Å; Y109-F111 AromaticContact CD1-CZ 3.48Å; Y109-F111 HydrophobicContact CD1-CZ 3.48Å; Y109-F111 VanDerWaalsContact CD1-CZ 3.48Å; Y109-F111 AromaticContact CE1-CD1 3.51Å; Y109-F111 HydrophobicContact CE1-CD1 3.51Å; Y109-F111 AromaticContact CE1-CE1 3.35Å; Y109-F111 HydrophobicContact CE1-CE1 3.35Å; Y109-F111 HydrophobicContact CE1-CG 4.22Å; Y109-F111 AromaticContact CE1-CZ 3.93Å; Y109-F111 HydrophobicContact CE1-CZ 3.93Å; Y109-F111 HydrophobicContact CG-CZ 4.45Å; F111-V113 PolarHBondContact O-N 3.3Å
112	N	94.8	Very high	95.2	Very high	108 Å²	108	39.7 Å²	39.7	58%	0.578	20%	0.197	S	C	*	.	S	Bend	trans	48.7	60.7	176.2	-64.3	-27.9	0	0	0	112.4	R91 T114	R91-N112 PolarHBondContact NH2-O 2.91Å; N112-T114 PolarHBondContact O-N 3.48Å
113	V	95.8	Very high	95.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.19	C	C	.	.			trans	-61.2	136.2	-177.3	178.3	0	0	0	0	111.1	A33 A35 G36 K37 F39 L110 F111 D117 V148	A33-V113 HydrophobicContact CB-CG1 4.03Å; A35-V113 CarbonylContact C-O 3.52Å; A35-V113 WeakPolarHBondContact CA-O 3.3Å; G36-V113 PolarHBondContact N-O 3.45Å; K37-V113 WeakPolarHBondContact O-CB 3.4Å; K37-V113 VanDerWaalsContact O-CG2 3.27Å; K37-V113 WeakPolarHBondContact O-CG2 3.42Å; K37-V113 PolarHBondContact O-N 3.21Å; F39-V113 HydrophobicContact CB-CG2 3.73Å; L110-V113 HydrophobicContact CB-CG2 4.41Å; L110-V113 HydrophobicContact CD2-CG2 3.94Å; L110-V113 HydrophobicContact CG-CG2 4Å; F111-V113 PolarHBondContact O-N 3.3Å; V113-D117 HydrophobicContact CG1-CB 4.37Å; V113-V148 HydrophobicContact CG1-CB 4.34Å; V113-V148 HydrophobicContact CG1-CG1 3.85Å; V113-V148 HydrophobicContact CG1-CG2 3.49Å; V113-V148 VanDerWaalsContact CG1-CG2 3.49Å
114	T	94.8	Very high	95.7	Very high	56 Å²	56	40.1 Å²	40.1	34%	0.344	20%	0.198	S	C	.	.			trans	-120.4	164	179	70.1	0	0	0	0	110.6	N112 N116 D117 V148	N112-T114 PolarHBondContact O-N 3.48Å; T114-N116 PolarHBondContact O-N 3.17Å; T114-N116 VanDerWaalsContact O-N 3.15Å; T114-D117 PolarHBondContact N-OD2 3.05Å; T114-D117 WeakPolarHBondContact O-CB 3.28Å; T114-D117 PolarHBondContact O-N 3.33Å; T114-D117 VanDerWaalsContact O-N 3.07Å; T114-D117 PolarHBondContact OG1-OD2 2.03Å; T114-V148 WeakPolarHBondContact O-CG2 3.13Å
115	F	94.4	Very high	95.9	Very high	121 Å²	121	38.1 Å²	38.1	53%	0.531	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-62.1	-23.4	178.8	-65.6	-72.5	0	0	0	113.7	A35 D117 S118 V148 A150	A35-F115 HydrophobicContact CB-CE1 4.29Å; A35-F115 HydrophobicContact CB-CE2 4.02Å; A35-F115 HydrophobicContact CB-CZ 3.84Å; F115-D117 PolarHBondContact O-N 3.47Å; F115-S118 WeakPolarHBondContact O-CB 3.42Å; F115-S118 PolarHBondContact O-N 2.96Å; F115-S118 PolarHBondContact O-OG 3.37Å; F115-V148 HydrophobicContact CD1-CB 4.23Å; F115-V148 HydrophobicContact CD1-CG1 3.97Å; F115-V148 HydrophobicContact CE1-CG1 4.23Å; F115-A150 HydrophobicContact CZ-CB 4.24Å
116	N	93.2	Very high	96	Very high	134 Å²	134	39.2 Å²	39.2	72%	0.717	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-71.4	-20.3	177.5	-67.3	-10.5	0	0	0	112.9	T114 S118	T114-N116 PolarHBondContact O-N 3.17Å; T114-N116 VanDerWaalsContact O-N 3.15Å; N116-S118 PolarHBondContact O-N 2.69Å
117	D	94.4	Very high	96	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.043	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-78.7	-2	177.1	-51.7	-47.1	0	0	0	111.5	R91 L110 V113 T114 F115 G119 Y121	R91-D117 IonicContact CZ-OD1 3.56Å; R91-D117 IonicContact CZ-OD2 3.99Å; R91-D117 IonicContact NH1-OD1 2.73Å; R91-D117 PolarHBondContact NH1-OD1 2.81Å; R91-D117 IonicContact NH1-OD2 3.39Å; R91-D117 IonicContact NH2-OD1 3.71Å; R91-D117 IonicContact NH2-OD2 3.65Å; R91-D117 PolarHBondContact NH2-OD2 3.42Å; L110-D117 HydrophobicContact CD2-CB 4.11Å; V113-D117 HydrophobicContact CG1-CB 4.37Å; T114-D117 PolarHBondContact N-OD2 3.05Å; T114-D117 WeakPolarHBondContact O-CB 3.28Å; T114-D117 PolarHBondContact O-N 3.33Å; T114-D117 VanDerWaalsContact O-N 3.07Å; T114-D117 PolarHBondContact OG1-OD2 2.03Å; F115-D117 PolarHBondContact O-N 3.47Å; D117-G119 PolarHBondContact O-N 3.38Å; D117-Y121 WeakPolarHBondContact O-CE2 3.45Å; D117-Y121 PolarHBondContact O-OH 2.7Å
118	S	95.6	Very high	95.9	Very high	20 Å²	20	41.9 Å²	41.9	14%	0.14	21%	0.205	C	C	.	.			trans	-68.5	125.2	172.3	-71.3	0	0	0	0	111.2	K65 F115 N116 V148	K65-S118 PolarHBondContact N-O 2.87Å; F115-S118 WeakPolarHBondContact O-CB 3.42Å; F115-S118 PolarHBondContact O-N 2.96Å; F115-S118 PolarHBondContact O-OG 3.37Å; N116-S118 PolarHBondContact O-N 2.69Å; S118-V148 WeakPolarHBondContact OG-CB 3.29Å; S118-V148 WeakPolarHBondContact OG-CG2 3.46Å; S118-V148 PolarHBondContact OG-N 3.2Å
119	G	95.7	Very high	95.9	Very high	9 Å²	9	42.9 Å²	42.9	9%	0.093	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-156.4	-176.6	0	0	0	0	0	112.7	K63 D117 L146	K63-G119 CarbonylContact O-C 3.59Å; K63-G119 VanDerWaalsContact O-CA 3.3Å; K63-G119 WeakPolarHBondContact O-CA 3.43Å; D117-G119 PolarHBondContact O-N 3.38Å; G119-L146 PolarHBondContact N-O 2.9Å; G119-L146 PolarHBondContact O-N 3.23Å
120	T	97.1	Very high	95.8	Very high	20 Å²	20	41.9 Å²	41.9	12%	0.123	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.8	177.5	-55.6	0	0	0	0	108.9	K63 F70 L143 H145	K63-T120 PolarHBondContact N-O 3.38Å; K63-T120 PolarHBondContact O-N 3.22Å; F70-T120 HydrophobicContact CE1-CG2 4.33Å; F70-T120 HydrophobicContact CZ-CG2 4.24Å; T120-L143 HydrophobicContact CG2-CD2 3.59Å; T120-H145 VanDerWaalsContact CG2-CE1 3.49Å; T120-H145 WeakPolarHBondContact CG2-CE1 3.38Å; T120-H145 WeakPolarHBondContact CG2-ND1 3.38Å; T120-H145 PolarHBondContact OG1-CE1 3.42Å; T120-H145 PolarHBondContact OG1-ND1 2.98Å
121	Y	96.9	Very high	95.7	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.8	171.8	-65.7	-95.8	0	0	0	109.1	L41 Y61 F62 I73 F88 D117 L143 V144 L146	L41-Y121 HydrophobicContact CD1-CD1 3.91Å; L41-Y121 HydrophobicContact CD1-CD2 4.24Å; L41-Y121 HydrophobicContact CD1-CE1 3.93Å; L41-Y121 HydrophobicContact CD1-CE2 4.27Å; L41-Y121 HydrophobicContact CD1-CG 4.05Å; L41-Y121 HydrophobicContact CD2-CD2 4.18Å; L41-Y121 HydrophobicContact CD2-CG 4.45Å; Y61-Y121 CarbonylContact O-C 3.52Å; Y61-Y121 WeakPolarHBondContact O-CA 3.41Å; F62-Y121 HydrophobicContact CB-CD1 4.18Å; F62-Y121 HydrophobicContact CB-CE1 4.07Å; F62-Y121 AromaticContact CD2-CD1 3.85Å; F62-Y121 HydrophobicContact CD2-CD1 3.85Å; F62-Y121 HydrophobicContact CD2-CD2 4.07Å; F62-Y121 AromaticContact CD2-CE1 3.46Å; F62-Y121 HydrophobicContact CD2-CE1 3.46Å; F62-Y121 VanDerWaalsContact CD2-CE1 3.46Å; F62-Y121 AromaticContact CD2-CE2 3.68Å; F62-Y121 HydrophobicContact CD2-CE2 3.68Å; F62-Y121 HydrophobicContact CD2-CG 4.14Å; F62-Y121 AromaticContact CD2-CZ 3.37Å; F62-Y121 HydrophobicContact CE2-CD2 4.4Å; F62-Y121 HydrophobicContact CE2-CE1 4.16Å; F62-Y121 AromaticContact CE2-CE2 3.71Å; F62-Y121 HydrophobicContact CE2-CE2 3.71Å; F62-Y121 AromaticContact CE2-CZ 3.58Å; F62-Y121 HydrophobicContact CG-CD1 4.41Å; F62-Y121 AromaticContact CG-CE1 3.99Å; F62-Y121 HydrophobicContact CG-CE1 3.99Å; I73-Y121 HydrophobicContact CD1-CD1 3.93Å; I73-Y121 HydrophobicContact CD1-CE1 3.87Å; F88-Y121 HydrophobicContact CE1-CE1 4.13Å; F88-Y121 HydrophobicContact CZ-CE1 4.19Å; D117-Y121 WeakPolarHBondContact O-CE2 3.45Å; D117-Y121 PolarHBondContact O-OH 2.7Å; Y121-L143 WeakPolarHBondContact O-CA 3.41Å; Y121-V144 PolarHBondContact N-O 3.24Å; Y121-V144 PolarHBondContact O-N 3.42Å; Y121-L146 HydrophobicContact CD2-CB 3.9Å; Y121-L146 HydrophobicContact CD2-CD2 4.45Å; Y121-L146 HydrophobicContact CE2-CB 3.74Å; Y121-L146 HydrophobicContact CE2-CD2 3.64Å; Y121-L146 HydrophobicContact CE2-CG 4.33Å
122	R	97.3	Very high	95.6	Very high	71 Å²	71	49.7 Å²	49.7	27%	0.268	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.9	175.8	-176.3	180	-71.7	172.2	-4.8	108.6	W60 Y61 F70 F124 K142 L143	W60-R122 WeakPolarHBondContact CA-O 3.42Å; Y61-R122 PolarHBondContact N-O 2.88Å; Y61-R122 PolarHBondContact O-N 3.37Å; F70-R122 HydrophobicContact CD1-CB 4.27Å; F70-R122 HydrophobicContact CE1-CB 3.82Å; F70-R122 HydrophobicContact CZ-CB 4.42Å; R122-F124 HydrophobicContact CG-CD2 4.17Å; R122-F124 HydrophobicContact CG-CE2 3.68Å; R122-F124 HydrophobicContact CG-CZ 4.08Å; R122-K142 VanDerWaalsContact CA-O 3.31Å; R122-K142 WeakPolarHBondContact CA-O 3.36Å; R122-L143 HydrophobicContact CB-CD2 3.95Å; R122-L143 HydrophobicContact CG-CD2 4.12Å
123	C	96.8	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141.8	170.6	42.2	0	0	0	0	109.2	C43 D59 W60 S141 K142	C43-C123 HydrophobicContact CB-CB 3.9Å; C43-C123 WeakPolarHBondContact CB-SG 3.04Å; C43-C123 WeakPolarHBondContact SG-CB 3.23Å; C43-C123 CovalentContact SG-SG 2.02Å; C43-C123 PolarHBondContact SG-SG 3.36Å; D59-C123 CarbonylContact O-C 3.56Å; D59-C123 VanDerWaalsContact O-CA 3.31Å; D59-C123 WeakPolarHBondContact O-CA 3.32Å; W60-C123 HydrophobicContact CD2-CB 3.81Å; W60-C123 HydrophobicContact CE3-CB 3.91Å; W60-C123 HydrophobicContact CG-CB 4.49Å; W60-C123 HydrophobicContact CH2-CB 3.96Å; W60-C123 HydrophobicContact CZ2-CB 3.84Å; W60-C123 HydrophobicContact CZ3-CB 3.96Å; C123-S141 WeakPolarHBondContact O-CA 3.38Å; C123-K142 PolarHBondContact N-O 3.39Å; C123-K142 PolarHBondContact O-N 2.97Å
124	F	97.4	Very high	95.5	Very high	43 Å²	43	59.1 Å²	59.1	19%	0.189	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132	170.6	-71.2	-91.5	0	0	0	109.1	V58 D59 Y61 R122 V139 V140	V58-F124 VanDerWaalsContact CA-O 3.28Å; V58-F124 WeakPolarHBondContact CA-O 3.29Å; D59-F124 HydrophobicContact CB-CB 4.38Å; D59-F124 PolarHBondContact N-O 3.11Å; D59-F124 PolarHBondContact O-N 3.35Å; Y61-F124 AromaticContact CD2-CD2 3.49Å; Y61-F124 HydrophobicContact CD2-CD2 3.49Å; Y61-F124 VanDerWaalsContact CD2-CD2 3.49Å; Y61-F124 AromaticContact CD2-CE2 3.58Å; Y61-F124 HydrophobicContact CD2-CE2 3.58Å; Y61-F124 AromaticContact CE2-CD2 3.59Å; Y61-F124 HydrophobicContact CE2-CD2 3.59Å; Y61-F124 AromaticContact CE2-CE2 3.82Å; Y61-F124 HydrophobicContact CE2-CE2 3.82Å; Y61-F124 HydrophobicContact CG-CE2 4.32Å; R122-F124 HydrophobicContact CG-CD2 4.17Å; R122-F124 HydrophobicContact CG-CE2 3.68Å; R122-F124 HydrophobicContact CG-CZ 4.08Å; F124-V139 HydrophobicContact CD1-CG1 3.96Å; F124-V140 CarbonylContact C-O 3.26Å; F124-V140 WeakPolarHBondContact CA-O 3.34Å
125	F	96.8	Very high	95.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.7	168.7	-64.5	-99	0	0	0	107.7	C43 V58 A106 V139 V140	C43-F125 WeakPolarHBondContact SG-CE2 3.36Å; V58-F125 HydrophobicContact CG2-CD1 4.04Å; V58-F125 HydrophobicContact CG2-CE1 4.29Å; A106-F125 HydrophobicContact CB-CD1 4.34Å; A106-F125 HydrophobicContact CB-CE1 3.37Å; A106-F125 HydrophobicContact CB-CE2 4.41Å; A106-F125 HydrophobicContact CB-CZ 3.41Å; A106-F125 VanDerWaalsContact CB-CZ 3.41Å; F125-V139 VanDerWaalsContact O-CA 3.28Å; F125-V139 WeakPolarHBondContact O-CA 3.19Å; F125-V140 HydrophobicContact CB-CB 4.5Å; F125-V140 PolarHBondContact N-O 3.23Å; F125-V140 PolarHBondContact O-N 3.32Å
126	H	96.6	Very high	95.6	Very high	66 Å²	66	63 Å²	63	31%	0.306	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	96.5	170.5	-65	-87.7	0	0	0	107.4	A56 T57 D59 V139	A56-H126 WeakPolarHBondContact CA-O 3.18Å; T57-H126 PolarHBondContact N-O 3.16Å; T57-H126 PolarHBondContact O-N 2.86Å; T57-H126 WeakPolarHBondContact OG1-CB 3.49Å; D59-H126 IonicContact OD2-CD2 3.44Å; D59-H126 IonicContact OD2-NE2 3.89Å; D59-H126 PolarHBondContact OD2-NE2 2.75Å; H126-V139 WeakPolarHBondContact ND1-CG2 3.29Å
127	R	95.6	Very high	95.7	Very high	11 Å²	11	64 Å²	64	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132	-172.3	-173.8	178.8	-69.4	129.4	-6.3	110.8	S45 A54 S55 A56 I103 L129 Q137 T138	S45-R127 PolarHBondContact O-NH2 3.22Å; A54-R127 HydrophobicContact CB-CG 4.03Å; S55-R127 CarbonylContact O-C 3.51Å; S55-R127 WeakPolarHBondContact O-CA 3.05Å; A56-R127 HydrophobicContact CB-CB 4.23Å; A56-R127 HydrophobicContact CB-CG 4.25Å; I103-R127 PolarHBondContact O-NH2 3.13Å; I103-R127 VanDerWaalsContact O-NH2 3.08Å; R127-L129 HydrophobicContact CG-CD2 4Å; R127-L129 HydrophobicContact CG-CG 4.38Å; R127-Q137 WeakPolarHBondContact O-CA 3.43Å; R127-T138 HydrophobicContact CB-CG2 3.86Å; R127-T138 HydrophobicContact CG-CG2 4.46Å; R127-T138 PolarHBondContact N-O 3.44Å; R127-T138 PolarHBondContact O-N 3.46Å
128	L	95.9	Very high	95.8	Very high	46 Å²	46	65.4 Å²	65.4	24%	0.241	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.5	168.5	-174	69.4	0	0	0	108.1	A54 S55 E135 Q137	A54-L128 VanDerWaalsContact CA-O 3.23Å; A54-L128 WeakPolarHBondContact CA-O 3.06Å; S55-L128 PolarHBondContact N-O 2.8Å; S55-L128 PolarHBondContact O-N 3.11Å; L128-E135 HydrophobicContact CD1-CB 3.95Å; L128-Q137 HydrophobicContact CD1-CG 3.4Å
129	L	95.4	Very high	95.8	Very high	22 Å²	22	68.6 Å²	68.6	12%	0.115	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.5	173.8	-63	177.2	0	0	0	109.1	K47 V52 A54 R127 Y131 E135 Y136 T138	K47-L129 HydrophobicContact CD-CD2 4.2Å; V52-L129 HydrophobicContact CG1-CB 4.24Å; V52-L129 HydrophobicContact CG1-CD2 4.32Å; A54-L129 HydrophobicContact CB-CD2 3.7Å; R127-L129 HydrophobicContact CG-CD2 4Å; R127-L129 HydrophobicContact CG-CG 4.38Å; L129-Y131 HydrophobicContact CB-CE2 3.86Å; L129-Y131 HydrophobicContact CD1-CE2 4.48Å; L129-E135 WeakPolarHBondContact O-CA 3.39Å; L129-Y136 HydrophobicContact CD1-CD1 4.26Å; L129-Y136 PolarHBondContact N-O 3.04Å; L129-Y136 PolarHBondContact O-N 2.91Å; L129-T138 HydrophobicContact CD1-CG2 4.49Å
130	T	95.1	Very high	95.8	Very high	56 Å²	56	70.2 Å²	70.2	34%	0.344	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	111.5	-179.4	-52.5	0	0	0	0	109.1	E53 E135	E53-T130 PolarHBondContact O-N 3.49Å; T130-E135 HydrophobicContact CG2-CG 4.45Å
131	Y	93.6	Very high	95.8	Very high	78 Å²	78	72.1 Å²	72.1	31%	0.306	34%	0.342	S	S	.	.			trans	-100.1	168.6	170.8	-61.1	-85.3	0	0	0	110	V52 L129 F133 Y134	V52-Y131 HydrophobicContact CB-CE1 4.36Å; V52-Y131 HydrophobicContact CG1-CD1 4.02Å; V52-Y131 HydrophobicContact CG1-CE1 3.67Å; V52-Y131 HydrophobicContact CG1-CE2 4.43Å; V52-Y131 HydrophobicContact CG2-CD1 4.36Å; V52-Y131 HydrophobicContact CG2-CE1 3.69Å; L129-Y131 HydrophobicContact CB-CE2 3.86Å; L129-Y131 HydrophobicContact CD1-CE2 4.48Å; Y131-F133 PolarHBondContact O-N 2.88Å; Y131-F133 VanDerWaalsContact O-N 3.13Å; Y131-Y134 WeakPolarHBondContact CA-O 3.28Å; Y131-Y134 WeakPolarHBondContact CB-O 3.5Å; Y131-Y134 HydrophobicContact CD2-CD2 4.03Å; Y131-Y134 HydrophobicContact CD2-CE1 4.3Å; Y131-Y134 AromaticContact CD2-CE2 3.47Å; Y131-Y134 HydrophobicContact CD2-CE2 3.47Å; Y131-Y134 VanDerWaalsContact CD2-CE2 3.47Å; Y131-Y134 AromaticContact CD2-CZ 3.63Å; Y131-Y134 AromaticContact CE2-CE2 3.87Å; Y131-Y134 HydrophobicContact CE2-CE2 3.87Å; Y131-Y134 HydrophobicContact CG-CE1 4.26Å; Y131-Y134 HydrophobicContact CG-CE2 4.23Å; Y131-Y134 AromaticContact CG-CZ 3.95Å; Y131-Y134 PolarHBondContact N-O 3.47Å
132	E	93.6	Very high	95.8	Very high	173 Å²	173	75.2 Å²	75.2	81%	0.808	36%	0.355	S	S	*	.	S	Bend	trans	-58.1	-29.5	-179.2	-169.5	177.8	-175.5	0	0	113.6
133	F	94.6	Very high	95.7	Very high	172 Å²	172	75.9 Å²	75.9	75%	0.754	36%	0.364	S	S	*	.	S	Bend	trans	-119.9	-11.5	-172.3	-54.6	-69.9	0	0	0	115.1	Y131	Y131-F133 PolarHBondContact O-N 2.88Å; Y131-F133 VanDerWaalsContact O-N 3.13Å
134	Y	94.7	Very high	95.7	Very high	134 Å²	134	76.4 Å²	76.4	53%	0.525	37%	0.367	S	S	.	.			trans	-162.1	162	-177.3	65.7	-84	0	0	0	111.4	Y131	Y131-Y134 WeakPolarHBondContact CA-O 3.28Å; Y131-Y134 WeakPolarHBondContact CB-O 3.5Å; Y131-Y134 HydrophobicContact CD2-CD2 4.03Å; Y131-Y134 HydrophobicContact CD2-CE1 4.3Å; Y131-Y134 AromaticContact CD2-CE2 3.47Å; Y131-Y134 HydrophobicContact CD2-CE2 3.47Å; Y131-Y134 VanDerWaalsContact CD2-CE2 3.47Å; Y131-Y134 AromaticContact CD2-CZ 3.63Å; Y131-Y134 AromaticContact CE2-CE2 3.87Å; Y131-Y134 HydrophobicContact CE2-CE2 3.87Å; Y131-Y134 HydrophobicContact CG-CE1 4.26Å; Y131-Y134 HydrophobicContact CG-CE2 4.23Å; Y131-Y134 AromaticContact CG-CZ 3.95Å; Y131-Y134 PolarHBondContact N-O 3.47Å
135	E	95.8	Very high	95.7	Very high	129 Å²	129	79.5 Å²	79.5	60%	0.603	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	144	171.9	-65.7	178.3	179.3	0	0	110.2	L128 L129 T130	L128-E135 HydrophobicContact CD1-CB 3.95Å; L129-E135 WeakPolarHBondContact O-CA 3.39Å; T130-E135 HydrophobicContact CG2-CG 4.45Å
136	Y	95.2	Very high	95.6	Very high	130 Å²	130	79.7 Å²	79.7	51%	0.51	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.8	179.2	-176.8	-100.2	0	0	0	111	L129	L129-Y136 HydrophobicContact CD1-CD1 4.26Å; L129-Y136 PolarHBondContact N-O 3.04Å; L129-Y136 PolarHBondContact O-N 2.91Å
137	Q	95.9	Very high	95.6	Very high	155 Å²	155	79.9 Å²	79.9	72%	0.724	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.3	175.6	-70.8	-179.8	-19.3	0	0	110.5	R127 L128	R127-Q137 WeakPolarHBondContact O-CA 3.43Å; L128-Q137 HydrophobicContact CD1-CG 3.4Å
138	T	95.5	Very high	95.6	Very high	38 Å²	38	80 Å²	80	23%	0.233	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.8	175.8	-173	0	0	0	0	110.6	R127 L129	R127-T138 HydrophobicContact CB-CG2 3.86Å; R127-T138 HydrophobicContact CG-CG2 4.46Å; R127-T138 PolarHBondContact N-O 3.44Å; R127-T138 PolarHBondContact O-N 3.46Å; L129-T138 HydrophobicContact CD1-CG2 4.49Å
139	V	96.8	Very high	95.6	Very high	86 Å²	86	79.7 Å²	79.7	52%	0.521	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.7	177.6	-175.5	0	0	0	0	108.9	F124 F125 H126	F124-V139 HydrophobicContact CD1-CG1 3.96Å; F125-V139 VanDerWaalsContact O-CA 3.28Å; F125-V139 WeakPolarHBondContact O-CA 3.19Å; H126-V139 WeakPolarHBondContact ND1-CG2 3.29Å
140	V	96.1	Very high	95.5	Very high	43 Å²	43	82.5 Å²	82.5	26%	0.261	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.8	177.7	-179.9	0	0	0	0	108.4	F124 F125	F124-V140 CarbonylContact C-O 3.26Å; F124-V140 WeakPolarHBondContact CA-O 3.34Å; F125-V140 HydrophobicContact CB-CB 4.5Å; F125-V140 PolarHBondContact N-O 3.23Å; F125-V140 PolarHBondContact O-N 3.32Å
141	S	96.2	Very high	95.4	Very high	60 Å²	60	88.2 Å²	88.2	42%	0.42	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.4	174.7	67.5	0	0	0	0	111.8	C123	C123-S141 WeakPolarHBondContact O-CA 3.38Å
142	K	96.4	Very high	95.3	Very high	66 Å²	66	87.9 Å²	87.9	29%	0.287	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.5	172.3	-59.8	-75.5	-169.8	163.8	0	109.3	E26 R122 C123	E26-K142 IonicContact OE2-NZ 3.65Å; E26-K142 PolarHBondContact OE2-NZ 2.99Å; R122-K142 VanDerWaalsContact CA-O 3.31Å; R122-K142 WeakPolarHBondContact CA-O 3.36Å; C123-K142 PolarHBondContact N-O 3.39Å; C123-K142 PolarHBondContact O-N 2.97Å
143	L	96.3	Very high	95	Very high	86 Å²	86	83.9 Å²	83.9	45%	0.45	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132	-176	-79.7	161.1	0	0	0	109.1	F70 T120 Y121 R122	F70-L143 HydrophobicContact CZ-CD2 4.27Å; T120-L143 HydrophobicContact CG2-CD2 3.59Å; Y121-L143 WeakPolarHBondContact O-CA 3.41Å; R122-L143 HydrophobicContact CB-CD2 3.95Å; R122-L143 HydrophobicContact CG-CD2 4.12Å
144	V	96.5	Very high	94.8	Very high	11 Å²	11	82.8 Å²	82.8	7%	0.067	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.5	176.3	-178.6	0	0	0	0	108.3	L41 Y121	L41-V144 HydrophobicContact CD2-CG1 3.88Å; Y121-V144 PolarHBondContact N-O 3.24Å; Y121-V144 PolarHBondContact O-N 3.42Å
145	H	96.4	Very high	94.5	Very high	108 Å²	108	78.7 Å²	78.7	50%	0.5	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109.7	176	-64.6	-66.5	0	0	0	109.3	T31 T120	T31-H145 WeakPolarHBondContact CA-O 3.29Å; T31-H145 VanDerWaalsContact CB-O 3.25Å; T31-H145 WeakPolarHBondContact CB-O 3.49Å; T31-H145 WeakPolarHBondContact CG2-O 3.41Å; T120-H145 VanDerWaalsContact CG2-CE1 3.49Å; T120-H145 WeakPolarHBondContact CG2-CE1 3.38Å; T120-H145 WeakPolarHBondContact CG2-ND1 3.38Å; T120-H145 PolarHBondContact OG1-CE1 3.42Å; T120-H145 PolarHBondContact OG1-ND1 2.98Å
146	L	96.3	Very high	94.3	Very high	3 Å²	3	78 Å²	78	2%	0.016	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.3	-179.9	-172.3	64.6	0	0	0	110.6	A33 F39 L41 G119 Y121 V148	A33-L146 HydrophobicContact CB-CD1 3.78Å; A33-L146 HydrophobicContact CB-CG 4.46Å; F39-L146 HydrophobicContact CD1-CD1 3.84Å; F39-L146 HydrophobicContact CE1-CD1 3.39Å; F39-L146 HydrophobicContact CZ-CD1 3.82Å; L41-L146 HydrophobicContact CD2-CD1 4.37Å; L41-L146 HydrophobicContact CD2-CD2 4.35Å; G119-L146 PolarHBondContact N-O 2.9Å; G119-L146 PolarHBondContact O-N 3.23Å; Y121-L146 HydrophobicContact CD2-CB 3.9Å; Y121-L146 HydrophobicContact CD2-CD2 4.45Å; Y121-L146 HydrophobicContact CE2-CB 3.74Å; Y121-L146 HydrophobicContact CE2-CD2 3.64Å; Y121-L146 HydrophobicContact CE2-CG 4.33Å; L146-V148 HydrophobicContact CD2-CG2 4.45Å; L146-V148 HydrophobicContact CG-CG2 4.48Å
147	T	95.6	Very high	94.1	Very high	70 Å²	70	75.4 Å²	75.4	43%	0.429	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.8	171.6	59	0	0	0	0	109.7	T31 E32 A33	T31-T147 PolarHBondContact O-N 3.29Å; T31-T147 PolarHBondContact O-OG1 3.48Å; E32-T147 WeakPolarHBondContact CA-O 3.26Å; A33-T147 PolarHBondContact N-O 3Å
148	V	96	Very high	94.1	Very high	14 Å²	14	70.1 Å²	70.1	9%	0.085	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.8	-178	-177.5	0	0	0	0	109.5	A33 A35 V113 T114 F115 S118 L146	A33-V148 HydrophobicContact CB-CG2 4.43Å; A33-V148 CarbonylContact O-C 3.55Å; A33-V148 WeakPolarHBondContact O-CA 3.36Å; A35-V148 HydrophobicContact CB-CG1 3.97Å; V113-V148 HydrophobicContact CG1-CB 4.34Å; V113-V148 HydrophobicContact CG1-CG1 3.85Å; V113-V148 HydrophobicContact CG1-CG2 3.49Å; V113-V148 VanDerWaalsContact CG1-CG2 3.49Å; T114-V148 WeakPolarHBondContact O-CG2 3.13Å; F115-V148 HydrophobicContact CD1-CB 4.23Å; F115-V148 HydrophobicContact CD1-CG1 3.97Å; F115-V148 HydrophobicContact CE1-CG1 4.23Å; S118-V148 WeakPolarHBondContact OG-CB 3.29Å; S118-V148 WeakPolarHBondContact OG-CG2 3.46Å; S118-V148 PolarHBondContact OG-N 3.2Å; L146-V148 HydrophobicContact CD2-CG2 4.45Å; L146-V148 HydrophobicContact CG-CG2 4.48Å
149	V	95.9	Very high	94.1	Very high	40 Å²	40	72.2 Å²	72.2	24%	0.242	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	151.3	-180	-63.6	0	0	0	0	110.8	A33 V34 A35 K151	A33-V149 WeakPolarHBondContact O-CG2 3.37Å; A33-V149 PolarHBondContact O-N 3.37Å; V34-V149 WeakPolarHBondContact CA-O 3.4Å; A35-V149 PolarHBondContact N-O 2.94Å; V149-K151 VanDerWaalsContact C-N 3.28Å; V149-K151 WeakPolarHBondContact CG2-O 3.32Å; V149-K151 PolarHBondContact O-N 2.77Å
150	A	94.1	Very high	94	Very high	81 Å²	81	72.3 Å²	72.3	67%	0.669	43%	0.427	S	S	*	.	S	Bend	trans	-69.8	-26.9	177.9	0	0	0	0	0	112.7	F115	F115-A150 HydrophobicContact CZ-CB 4.24Å
151	K	92.5	Very high	94.1	Very high	176 Å²	176	73.7 Å²	73.7	77%	0.765	44%	0.438	S	S	*	.	S	Bend	trans	-144.9	136.6	-176.8	-173.9	176.1	-179.7	179.6	0	109.8	V149 T153	V149-K151 VanDerWaalsContact C-N 3.28Å; V149-K151 WeakPolarHBondContact CG2-O 3.32Å; V149-K151 PolarHBondContact O-N 2.77Å; K151-T153 PolarHBondContact O-N 3Å
152	A	90.1	Very high	94.1	Very high	70 Å²	70	74.4 Å²	74.4	58%	0.579	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-59.8	125.5	174.6	0	0	0	0	0	110.9	V34	V34-A152 HydrophobicContact CG2-CB 3.71Å
153	T	88.1	Confident	94.1	Very high	90 Å²	90	75.1 Å²	75.1	55%	0.552	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-94.5	142.1	169.9	28.9	0	0	0	0	109.9	E32 K151	E32-T153 PolarHBondContact OE2-OG1 2.82Å; K151-T153 PolarHBondContact O-N 3Å
154	R	89.6	Confident	94.2	Very high	149 Å²	149	76.1 Å²	76.1	56%	0.562	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-79.1	135.8	174.5	-170.5	171.1	175.7	165.9	-18	108.7	T156 S158 I159 E162	R154-T156 PolarHBondContact O-N 3.48Å; R154-S158 PolarHBondContact NE-OG 3.27Å; R154-S158 PolarHBondContact NH2-OG 2.95Å; R154-S158 VanDerWaalsContact NH2-OG 3.11Å; R154-I159 HydrophobicContact CB-CD1 4.24Å; R154-I159 HydrophobicContact CB-CG1 4.3Å; R154-I159 HydrophobicContact CG-CG1 4.18Å; R154-E162 IonicContact CZ-OE2 3.97Å; R154-E162 IonicContact NH1-OE2 2.69Å; R154-E162 IonicContact NH2-OE2 2.75Å; R154-E162 PolarHBondContact NH2-OE2 2.97Å
155	G	89.8	Confident	94.2	Very high	48 Å²	48	80 Å²	80	50%	0.495	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-55.2	134.6	-179.2	0	0	0	0	0	112	A157 S158 I159	G155-A157 PolarHBondContact O-N 2.91Å; G155-S158 WeakPolarHBondContact O-CB 3.3Å; G155-S158 PolarHBondContact O-N 3.4Å; G155-I159 PolarHBondContact O-N 2.94Å
156	T	90.3	Very high	94.3	Very high	115 Å²	115	80.7 Å²	80.7	71%	0.706	47%	0.466	S	S	*	.	H	α-helix	trans	-55.5	-40	-177.7	52.5	0	0	0	0	111.9	R154 S158 I159 V160	R154-T156 PolarHBondContact O-N 3.48Å; T156-S158 VanDerWaalsContact C-N 3.32Å; T156-S158 PolarHBondContact O-N 3.45Å; T156-I159 PolarHBondContact O-N 2.95Å; T156-V160 WeakPolarHBondContact O-CB 3.32Å; T156-V160 VanDerWaalsContact O-CG2 3.29Å; T156-V160 WeakPolarHBondContact O-CG2 3.49Å; T156-V160 PolarHBondContact O-N 2.81Å
157	A	92.3	Very high	94.4	Very high	74 Å²	74	84.6 Å²	84.6	61%	0.612	49%	0.49	S	S	*	.	H	α-helix	trans	-60.4	-37.9	176.5	0	0	0	0	0	113	G155 S161	G155-A157 PolarHBondContact O-N 2.91Å; A157-S161 VanDerWaalsContact O-CB 3.29Å; A157-S161 WeakPolarHBondContact O-CB 3.27Å; A157-S161 PolarHBondContact O-N 3.44Å; A157-S161 PolarHBondContact O-OG 2.9Å; A157-S161 VanDerWaalsContact O-OG 3.04Å
158	S	95	Very high	94.5	Very high	45 Å²	45	84.2 Å²	84.2	32%	0.315	49%	0.49	S	S	.	.	H	α-helix	trans	-68.9	-39	177.1	179.2	0	0	0	0	111.9	R154 G155 T156 S161 E162	R154-S158 PolarHBondContact NE-OG 3.27Å; R154-S158 PolarHBondContact NH2-OG 2.95Å; R154-S158 VanDerWaalsContact NH2-OG 3.11Å; G155-S158 WeakPolarHBondContact O-CB 3.3Å; G155-S158 PolarHBondContact O-N 3.4Å; T156-S158 VanDerWaalsContact C-N 3.32Å; T156-S158 PolarHBondContact O-N 3.45Å; S158-S161 PolarHBondContact O-OG 2.93Å; S158-S161 VanDerWaalsContact O-OG 3.13Å; S158-E162 WeakPolarHBondContact O-CB 3.4Å; S158-E162 PolarHBondContact O-N 3.31Å
159	I	95.1	Very high	94.6	Very high	82 Å²	82	88 Å²	88	42%	0.421	51%	0.509	S	S	.	.	H	α-helix	trans	-67.1	-46.9	176.7	-60.3	171.2	0	0	0	109.7	R154 G155 T156 E162 V163	R154-I159 HydrophobicContact CB-CD1 4.24Å; R154-I159 HydrophobicContact CB-CG1 4.3Å; R154-I159 HydrophobicContact CG-CG1 4.18Å; G155-I159 PolarHBondContact O-N 2.94Å; T156-I159 PolarHBondContact O-N 2.95Å; I159-E162 PolarHBondContact O-N 3.15Å; I159-V163 WeakPolarHBondContact O-CG2 3.4Å; I159-V163 PolarHBondContact O-N 3.2Å; I159-V163 VanDerWaalsContact O-N 3.11Å
160	V	96.4	Very high	94.8	Very high	88 Å²	88	91.7 Å²	91.7	53%	0.533	53%	0.526	S	S	.	.	H	α-helix	trans	-65.6	-42.4	-178.7	173.1	0	0	0	0	111.4	T156 E162 V163 M164	T156-V160 WeakPolarHBondContact O-CB 3.32Å; T156-V160 VanDerWaalsContact O-CG2 3.29Å; T156-V160 WeakPolarHBondContact O-CG2 3.49Å; T156-V160 PolarHBondContact O-N 2.81Å; V160-E162 VanDerWaalsContact C-N 3.34Å; V160-E162 PolarHBondContact O-N 2.96Å; V160-V163 PolarHBondContact O-N 3.37Å; V160-M164 HydrophobicContact CG1-CG 4.11Å; V160-M164 WeakPolarHBondContact O-CB 3.33Å; V160-M164 VanDerWaalsContact O-CG 3.26Å; V160-M164 WeakPolarHBondContact O-CG 3.24Å; V160-M164 PolarHBondContact O-N 3.36Å
161	S	97.2	Very high	95	Very high	72 Å²	72	89.7 Å²	89.7	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-64.9	-38.8	179.4	64.1	0	0	0	0	112.4	A157 S158 M164 M165	A157-S161 VanDerWaalsContact O-CB 3.29Å; A157-S161 WeakPolarHBondContact O-CB 3.27Å; A157-S161 PolarHBondContact O-N 3.44Å; A157-S161 PolarHBondContact O-OG 2.9Å; A157-S161 VanDerWaalsContact O-OG 3.04Å; S158-S161 PolarHBondContact O-OG 2.93Å; S158-S161 VanDerWaalsContact O-OG 3.13Å; S161-M164 PolarHBondContact O-N 2.89Å; S161-M165 WeakPolarHBondContact O-CB 3.36Å; S161-M165 PolarHBondContact O-N 2.92Å
162	E	95.9	Very high	95.2	Very high	74 Å²	74	86.6 Å²	86.6	35%	0.346	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-46.9	175.3	-174.2	172.8	165.5	0	0	111.5	R154 S158 I159 V160 M165 Y166	R154-E162 IonicContact CZ-OE2 3.97Å; R154-E162 IonicContact NH1-OE2 2.69Å; R154-E162 IonicContact NH2-OE2 2.75Å; R154-E162 PolarHBondContact NH2-OE2 2.97Å; S158-E162 WeakPolarHBondContact O-CB 3.4Å; S158-E162 PolarHBondContact O-N 3.31Å; I159-E162 PolarHBondContact O-N 3.15Å; V160-E162 VanDerWaalsContact C-N 3.34Å; V160-E162 PolarHBondContact O-N 2.96Å; E162-M165 WeakPolarHBondContact O-CB 3.27Å; E162-M165 PolarHBondContact O-N 2.92Å; E162-Y166 HydrophobicContact CG-CD2 4.28Å; E162-Y166 HydrophobicContact CG-CE2 3.81Å; E162-Y166 WeakPolarHBondContact O-CD2 3.05Å; E162-Y166 PolarHBondContact O-N 3.45Å
163	V	97.5	Very high	95.6	Very high	82 Å²	82	89 Å²	89	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-46.6	176.9	173.9	0	0	0	0	111.5	I159 V160 M165 Y166 V167	I159-V163 WeakPolarHBondContact O-CG2 3.4Å; I159-V163 PolarHBondContact O-N 3.2Å; I159-V163 VanDerWaalsContact O-N 3.11Å; V160-V163 PolarHBondContact O-N 3.37Å; V163-M165 VanDerWaalsContact C-N 3.28Å; V163-M165 PolarHBondContact O-N 3.38Å; V163-Y166 PolarHBondContact O-N 3.22Å; V163-V167 HydrophobicContact CG1-CG2 4.38Å; V163-V167 WeakPolarHBondContact O-CG2 3.36Å; V163-V167 PolarHBondContact O-N 3.03Å
164	M	97.1	Very high	96.1	Very high	106 Å²	106	87 Å²	87	52%	0.522	50%	0.496	S	S	.	.	H	α-helix	trans	-63.7	-34.3	179.9	-73.6	-59.4	-64.9	0	0	112.6	V160 S161 S168	V160-M164 HydrophobicContact CG1-CG 4.11Å; V160-M164 WeakPolarHBondContact O-CB 3.33Å; V160-M164 VanDerWaalsContact O-CG 3.26Å; V160-M164 WeakPolarHBondContact O-CG 3.24Å; V160-M164 PolarHBondContact O-N 3.36Å; S161-M164 PolarHBondContact O-N 2.89Å; M164-S168 WeakPolarHBondContact O-CB 3.28Å; M164-S168 PolarHBondContact O-N 2.83Å; M164-S168 PolarHBondContact O-OG 3.27Å
165	M	97.9	Very high	96.5	Very high	93 Å²	93	86.9 Å²	86.9	46%	0.458	50%	0.496	S	S	.	.	H	α-helix	trans	-60	-51.1	172.9	179.2	-169.2	70	0	0	110.6	S161 E162 V163 V167 S168 I169	S161-M165 WeakPolarHBondContact O-CB 3.36Å; S161-M165 PolarHBondContact O-N 2.92Å; E162-M165 WeakPolarHBondContact O-CB 3.27Å; E162-M165 PolarHBondContact O-N 2.92Å; V163-M165 VanDerWaalsContact C-N 3.28Å; V163-M165 PolarHBondContact O-N 3.38Å; M165-V167 PolarHBondContact O-N 3.19Å; M165-S168 PolarHBondContact O-N 3.33Å; M165-I169 HydrophobicContact CG-CD1 3.81Å; M165-I169 VanDerWaalsContact O-CG1 3.27Å; M165-I169 WeakPolarHBondContact O-CG1 3.34Å; M165-I169 PolarHBondContact O-N 3.36Å
166	Y	98.3	Very high	96.8	Very high	122 Å²	122	88.8 Å²	88.8	48%	0.478	49%	0.494	S	S	.	.	H	α-helix	trans	-63	-42.4	179.1	-73.3	-61.8	0	0	0	112.9	E162 V163 S168 I169 I170	E162-Y166 HydrophobicContact CG-CD2 4.28Å; E162-Y166 HydrophobicContact CG-CE2 3.81Å; E162-Y166 WeakPolarHBondContact O-CD2 3.05Å; E162-Y166 PolarHBondContact O-N 3.45Å; V163-Y166 PolarHBondContact O-N 3.22Å; Y166-S168 VanDerWaalsContact C-N 3.3Å; Y166-S168 PolarHBondContact O-N 3.47Å; Y166-I169 PolarHBondContact O-N 2.88Å; Y166-I170 WeakPolarHBondContact O-CB 3.23Å; Y166-I170 VanDerWaalsContact O-CG1 3.3Å; Y166-I170 WeakPolarHBondContact O-CG1 3.4Å; Y166-I170 PolarHBondContact O-N 2.93Å
167	V	98.4	Very high	97.2	Very high	86 Å²	86	90.8 Å²	90.8	52%	0.521	49%	0.49	S	S	.	.	H	α-helix	trans	-59.7	-43.7	176.7	171.9	0	0	0	0	110.9	V163 M165 G171	V163-V167 HydrophobicContact CG1-CG2 4.38Å; V163-V167 WeakPolarHBondContact O-CG2 3.36Å; V163-V167 PolarHBondContact O-N 3.03Å; M165-V167 PolarHBondContact O-N 3.19Å; V167-G171 PolarHBondContact O-N 3.37Å
168	S	98	Very high	97.5	Very high	62 Å²	62	92.3 Å²	92.3	43%	0.434	49%	0.487	S	S	.	.	H	α-helix	trans	-65.4	-43.4	178.6	-56.6	0	0	0	0	111.8	M164 M165 Y166 G171 L172	M164-S168 WeakPolarHBondContact O-CB 3.28Å; M164-S168 PolarHBondContact O-N 2.83Å; M164-S168 PolarHBondContact O-OG 3.27Å; M165-S168 PolarHBondContact O-N 3.33Å; Y166-S168 VanDerWaalsContact C-N 3.3Å; Y166-S168 PolarHBondContact O-N 3.47Å; S168-G171 PolarHBondContact O-N 3.07Å; S168-L172 WeakPolarHBondContact O-CB 3.24Å; S168-L172 VanDerWaalsContact O-CG 3.27Å; S168-L172 WeakPolarHBondContact O-CG 3.37Å; S168-L172 PolarHBondContact O-N 3.22Å
169	I	98.3	Very high	97.6	Very high	94 Å²	94	93.9 Å²	93.9	48%	0.482	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-49.9	177.6	-69.5	167.6	0	0	0	110.8	M165 Y166 G171 L172 Q173	M165-I169 HydrophobicContact CG-CD1 3.81Å; M165-I169 VanDerWaalsContact O-CG1 3.27Å; M165-I169 WeakPolarHBondContact O-CG1 3.34Å; M165-I169 PolarHBondContact O-N 3.36Å; Y166-I169 PolarHBondContact O-N 2.88Å; I169-G171 VanDerWaalsContact C-N 3.35Å; I169-G171 PolarHBondContact O-N 3.13Å; I169-L172 PolarHBondContact O-N 3.42Å; I169-Q173 VanDerWaalsContact O-CB 3.28Å; I169-Q173 WeakPolarHBondContact O-CB 3.37Å; I169-Q173 PolarHBondContact O-N 2.94Å
170	I	98.4	Very high	97.7	Very high	116 Å²	116	96.4 Å²	96.4	60%	0.595	50%	0.501	S	S	*	.	H	α-helix	trans	-64.5	-42.3	-179.1	-66.1	167.3	0	0	0	110.4	Y166 Q173 A174	Y166-I170 WeakPolarHBondContact O-CB 3.23Å; Y166-I170 VanDerWaalsContact O-CG1 3.3Å; Y166-I170 WeakPolarHBondContact O-CG1 3.4Å; Y166-I170 PolarHBondContact O-N 2.93Å; I170-Q173 PolarHBondContact O-N 3.38Å; I170-A174 VanDerWaalsContact O-CB 3.32Å; I170-A174 WeakPolarHBondContact O-CB 3.48Å; I170-A174 PolarHBondContact O-N 3.34Å
171	G	98	Very high	97.7	Very high	40 Å²	40	95 Å²	95	41%	0.412	49%	0.492	S	S	.	.	H	α-helix	trans	-61.2	-48.2	177.7	0	0	0	0	0	112.7	V167 S168 I169 A174 W175	V167-G171 PolarHBondContact O-N 3.37Å; S168-G171 PolarHBondContact O-N 3.07Å; I169-G171 VanDerWaalsContact C-N 3.35Å; I169-G171 PolarHBondContact O-N 3.13Å; G171-A174 PolarHBondContact O-N 2.92Å; G171-W175 WeakPolarHBondContact O-CB 3.47Å; G171-W175 PolarHBondContact O-N 2.89Å
172	L	98	Very high	97.7	Very high	110 Å²	110	98 Å²	98	58%	0.576	49%	0.493	S	S	*	.	H	α-helix	trans	-64.9	-40.7	177.1	-70	174.2	0	0	0	111.9	S168 I169 W175 L176	S168-L172 WeakPolarHBondContact O-CB 3.24Å; S168-L172 VanDerWaalsContact O-CG 3.27Å; S168-L172 WeakPolarHBondContact O-CG 3.37Å; S168-L172 PolarHBondContact O-N 3.22Å; I169-L172 PolarHBondContact O-N 3.42Å; L172-W175 PolarHBondContact O-N 3.4Å; L172-L176 WeakPolarHBondContact O-CG 3.42Å; L172-L176 PolarHBondContact O-N 3.46Å
173	Q	97.9	Very high	97.7	Very high	122 Å²	122	97.1 Å²	97.1	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-65	-42.1	178	-174.5	58.9	61.9	0	0	112	I169 I170 Y177	I169-Q173 VanDerWaalsContact O-CB 3.28Å; I169-Q173 WeakPolarHBondContact O-CB 3.37Å; I169-Q173 PolarHBondContact O-N 2.94Å; I170-Q173 PolarHBondContact O-N 3.38Å; Q173-Y177 WeakPolarHBondContact O-CB 3.19Å; Q173-Y177 PolarHBondContact O-N 2.91Å
174	A	98	Very high	97.6	Very high	46 Å²	46	101.4 Å²	101.4	38%	0.38	50%	0.503	S	S	.	.	H	α-helix	trans	-64.9	-42.7	175.7	0	0	0	0	0	111.2	I170 G171 Y177 I178	I170-A174 VanDerWaalsContact O-CB 3.32Å; I170-A174 WeakPolarHBondContact O-CB 3.48Å; I170-A174 PolarHBondContact O-N 3.34Å; G171-A174 PolarHBondContact O-N 2.92Å; A174-Y177 PolarHBondContact O-N 3.5Å; A174-I178 VanDerWaalsContact O-CG1 3.24Å; A174-I178 WeakPolarHBondContact O-CG1 3.38Å; A174-I178 PolarHBondContact O-N 3.44Å
175	W	98	Very high	97.5	Very high	148 Å²	148	105.1 Å²	105.1	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-61	-48.9	176.6	-179.1	67.1	0	0	0	112	G171 L172 Y177 I178 E179	G171-W175 WeakPolarHBondContact O-CB 3.47Å; G171-W175 PolarHBondContact O-N 2.89Å; L172-W175 PolarHBondContact O-N 3.4Å; W175-Y177 VanDerWaalsContact C-N 3.3Å; W175-Y177 PolarHBondContact O-N 3.37Å; W175-I178 PolarHBondContact O-N 2.88Å; W175-E179 HydrophobicContact CZ2-CG 4.22Å; W175-E179 PolarHBondContact O-N 3.02Å
176	L	97.9	Very high	97.3	Very high	88 Å²	88	107.1 Å²	107.1	46%	0.461	52%	0.518	S	S	.	.	H	α-helix	trans	-59.4	-40.9	174.9	-71.9	177.3	0	0	0	112.1	L172 E179 M180	L172-L176 WeakPolarHBondContact O-CG 3.42Å; L172-L176 PolarHBondContact O-N 3.46Å; L176-E179 PolarHBondContact O-N 3Å; L176-M180 WeakPolarHBondContact O-CB 3.39Å; L176-M180 VanDerWaalsContact O-CG 3.23Å; L176-M180 WeakPolarHBondContact O-CG 3.28Å; L176-M180 PolarHBondContact O-N 3.39Å
177	Y	97.9	Very high	97	Very high	157 Å²	157	107 Å²	107	62%	0.616	52%	0.524	S	S	*	.	H	α-helix	trans	-64.5	-41.6	177.4	-176.4	-97.7	0	0	0	112.1	Q173 A174 W175 M180 V181	Q173-Y177 WeakPolarHBondContact O-CB 3.19Å; Q173-Y177 PolarHBondContact O-N 2.91Å; A174-Y177 PolarHBondContact O-N 3.5Å; W175-Y177 VanDerWaalsContact C-N 3.3Å; W175-Y177 PolarHBondContact O-N 3.37Å; Y177-M180 PolarHBondContact O-N 2.94Å; Y177-V181 HydrophobicContact CD1-CG2 4.21Å; Y177-V181 HydrophobicContact CE1-CG2 3.78Å; Y177-V181 HydrophobicContact CE2-CG2 4.31Å; Y177-V181 WeakPolarHBondContact O-CG2 3.34Å; Y177-V181 PolarHBondContact O-N 3.28Å
178	I	98.1	Very high	96.6	Very high	105 Å²	105	105 Å²	105	54%	0.538	51%	0.514	S	S	.	.	H	α-helix	trans	-61.3	-47.9	175.7	-70.4	163.9	0	0	0	110.5	A174 W175 M180 V181 Y182	A174-I178 VanDerWaalsContact O-CG1 3.24Å; A174-I178 WeakPolarHBondContact O-CG1 3.38Å; A174-I178 PolarHBondContact O-N 3.44Å; W175-I178 PolarHBondContact O-N 2.88Å; I178-M180 VanDerWaalsContact C-N 3.34Å; I178-M180 PolarHBondContact O-N 3.49Å; I178-V181 PolarHBondContact O-N 2.84Å; I178-Y182 VanDerWaalsContact O-CB 3.24Å; I178-Y182 WeakPolarHBondContact O-CB 3.47Å; I178-Y182 PolarHBondContact O-N 3.21Å
179	E	97.4	Very high	96.2	Very high	79 Å²	79	104.5 Å²	104.5	37%	0.369	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-40.5	177.4	-72.5	-61.4	154.3	0	0	112	W175 L176 Y182 C183	W175-E179 HydrophobicContact CZ2-CG 4.22Å; W175-E179 PolarHBondContact O-N 3.02Å; L176-E179 PolarHBondContact O-N 3Å; E179-Y182 PolarHBondContact O-N 3.34Å; E179-C183 VanDerWaalsContact O-CB 3.28Å; E179-C183 WeakPolarHBondContact O-CB 3.39Å; E179-C183 PolarHBondContact O-N 2.91Å; E179-C183 PolarHBondContact O-SG 3.04Å
180	M	96.5	Very high	95.6	Very high	134 Å²	134	102.7 Å²	102.7	66%	0.66	51%	0.513	S	S	*	.	H	α-helix	trans	-60.8	-47.5	175.2	-79.7	-66.6	-59.8	0	0	111.9	L176 Y177 I178 Y184	L176-M180 WeakPolarHBondContact O-CB 3.39Å; L176-M180 VanDerWaalsContact O-CG 3.23Å; L176-M180 WeakPolarHBondContact O-CG 3.28Å; L176-M180 PolarHBondContact O-N 3.39Å; Y177-M180 PolarHBondContact O-N 2.94Å; I178-M180 VanDerWaalsContact C-N 3.34Å; I178-M180 PolarHBondContact O-N 3.49Å; M180-Y184 WeakPolarHBondContact O-CB 3.39Å; M180-Y184 PolarHBondContact O-N 3.32Å
181	V	97.3	Very high	94.9	Very high	58 Å²	58	98.8 Å²	98.8	35%	0.352	50%	0.501	S	S	.	.	H	α-helix	trans	-66.3	-42.4	177.8	172	0	0	0	0	110.9	Y177 I178 Y184 R185	Y177-V181 HydrophobicContact CD1-CG2 4.21Å; Y177-V181 HydrophobicContact CE1-CG2 3.78Å; Y177-V181 HydrophobicContact CE2-CG2 4.31Å; Y177-V181 WeakPolarHBondContact O-CG2 3.34Å; Y177-V181 PolarHBondContact O-N 3.28Å; I178-V181 PolarHBondContact O-N 2.84Å; V181-Y184 PolarHBondContact O-N 2.91Å; V181-R185 HydrophobicContact CG1-CG 4.42Å; V181-R185 WeakPolarHBondContact O-CG 3.29Å; V181-R185 PolarHBondContact O-N 3.22Å
182	Y	96.8	Very high	94.1	Very high	136 Å²	136	103.7 Å²	103.7	53%	0.533	51%	0.513	S	S	.	.	H	α-helix	trans	-60.2	-50.3	177.6	174.9	-106.5	0	0	0	111.4	I178 E179 Y184 R185 K186	I178-Y182 VanDerWaalsContact O-CB 3.24Å; I178-Y182 WeakPolarHBondContact O-CB 3.47Å; I178-Y182 PolarHBondContact O-N 3.21Å; E179-Y182 PolarHBondContact O-N 3.34Å; Y182-Y184 PolarHBondContact O-N 2.74Å; Y182-R185 PolarHBondContact O-N 3.46Å; Y182-K186 WeakPolarHBondContact O-CB 3.44Å; Y182-K186 PolarHBondContact O-N 3.42Å
183	C	95.9	Very high	93.2	Very high	56 Å²	56	104.6 Å²	104.6	38%	0.378	51%	0.514	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.1	-69.7	0	0	0	0	111.9	E179 R185 K186 I187	E179-C183 VanDerWaalsContact O-CB 3.28Å; E179-C183 WeakPolarHBondContact O-CB 3.39Å; E179-C183 PolarHBondContact O-N 2.91Å; E179-C183 PolarHBondContact O-SG 3.04Å; C183-R185 PolarHBondContact O-N 2.9Å; C183-K186 PolarHBondContact O-N 2.87Å; C183-I187 WeakPolarHBondContact O-CB 3.48Å; C183-I187 VanDerWaalsContact O-CG1 3.29Å; C183-I187 WeakPolarHBondContact O-CG1 3.49Å; C183-I187 PolarHBondContact O-N 3.5Å
184	Y	95.3	Very high	92.1	Very high	171 Å²	171	101.5 Å²	101.5	67%	0.671	51%	0.509	S	S	*	.	H	α-helix	trans	-60.3	-47.2	178.4	176.8	-99.1	0	0	0	112.2	M180 V181 Y182 K186 I187 S188	M180-Y184 WeakPolarHBondContact O-CB 3.39Å; M180-Y184 PolarHBondContact O-N 3.32Å; V181-Y184 PolarHBondContact O-N 2.91Å; Y182-Y184 PolarHBondContact O-N 2.74Å; Y184-K186 VanDerWaalsContact C-N 3.32Å; Y184-K186 PolarHBondContact O-N 3.23Å; Y184-I187 PolarHBondContact O-N 3.35Å; Y184-S188 WeakPolarHBondContact O-CB 3.44Å; Y184-S188 PolarHBondContact O-N 3Å; Y184-S188 PolarHBondContact O-OG 3.31Å
185	R	94.5	Very high	91	Very high	184 Å²	184	105.3 Å²	105.3	69%	0.694	52%	0.522	S	S	*	.	H	α-helix	trans	-64	-38.4	177.3	-70.8	-169.5	77.8	-174.7	4.3	112.1	V181 Y182 C183 S188 A189	V181-R185 HydrophobicContact CG1-CG 4.42Å; V181-R185 WeakPolarHBondContact O-CG 3.29Å; V181-R185 PolarHBondContact O-N 3.22Å; Y182-R185 PolarHBondContact O-N 3.46Å; C183-R185 PolarHBondContact O-N 2.9Å; R185-S188 WeakPolarHBondContact CA-OG 3.48Å; R185-S188 PolarHBondContact O-OG 2.94Å; R185-A189 PolarHBondContact O-N 3.24Å
186	K	94.4	Very high	89.8	Confident	135 Å²	135	106 Å²	106	59%	0.587	53%	0.525	S	S	*	.	H	α-helix	trans	-67	-44.6	177.6	-174	174.6	179.5	177.9	0	112.2	Y182 C183 Y184 A190	Y182-K186 WeakPolarHBondContact O-CB 3.44Å; Y182-K186 PolarHBondContact O-N 3.42Å; C183-K186 PolarHBondContact O-N 2.87Å; Y184-K186 VanDerWaalsContact C-N 3.32Å; Y184-K186 PolarHBondContact O-N 3.23Å; K186-A190 PolarHBondContact O-N 2.94Å
187	I	93	Very high	88.8	Confident	121 Å²	121	108.3 Å²	108.3	62%	0.621	53%	0.533	S	S	*	.	H	α-helix	trans	-70.4	-41.3	-179.8	-67.8	168.9	0	0	0	111.1	C183 Y184 A189 A190 G191	C183-I187 WeakPolarHBondContact O-CB 3.48Å; C183-I187 VanDerWaalsContact O-CG1 3.29Å; C183-I187 WeakPolarHBondContact O-CG1 3.49Å; C183-I187 PolarHBondContact O-N 3.5Å; Y184-I187 PolarHBondContact O-N 3.35Å; I187-A189 VanDerWaalsContact C-N 3.34Å; I187-A189 PolarHBondContact O-N 3.31Å; I187-A190 PolarHBondContact O-N 3.47Å; I187-G191 PolarHBondContact O-N 3.44Å
188	S	89.6	Confident	87.6	Confident	44 Å²	44	104 Å²	104	31%	0.308	53%	0.527	S	S	.	.	H	α-helix	trans	-60.8	-42.6	177.2	45.9	0	0	0	0	112	Y184 R185 G191 E192	Y184-S188 WeakPolarHBondContact O-CB 3.44Å; Y184-S188 PolarHBondContact O-N 3Å; Y184-S188 PolarHBondContact O-OG 3.31Å; R185-S188 WeakPolarHBondContact CA-OG 3.48Å; R185-S188 PolarHBondContact O-OG 2.94Å; S188-G191 PolarHBondContact O-N 2.95Å; S188-E192 WeakPolarHBondContact O-CG 3.46Å; S188-E192 PolarHBondContact O-N 2.78Å
189	A	88.6	Confident	86.4	Confident	51 Å²	51	101.3 Å²	101.3	42%	0.421	52%	0.52	S	S	.	.	H	α-helix	trans	-60.5	-46.4	174.5	0	0	0	0	0	112.5	R185 I187 G191 E192 E193	R185-A189 PolarHBondContact O-N 3.24Å; I187-A189 VanDerWaalsContact C-N 3.34Å; I187-A189 PolarHBondContact O-N 3.31Å; A189-G191 VanDerWaalsContact C-N 3.31Å; A189-G191 PolarHBondContact O-N 3.44Å; A189-E192 PolarHBondContact O-N 3.29Å; A189-E193 PolarHBondContact O-N 3.1Å
190	A	85.5	Confident	85.2	Confident	56 Å²	56	101.3 Å²	101.3	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-66.9	-31.9	176.1	0	0	0	0	0	112.8	K186 I187 E193 A194	K186-A190 PolarHBondContact O-N 2.94Å; I187-A190 PolarHBondContact O-N 3.47Å; A190-E193 PolarHBondContact O-N 3.43Å; A190-A194 PolarHBondContact O-N 3.48Å; A190-A194 VanDerWaalsContact O-N 3.1Å
191	G	84.6	Confident	84.1	Confident	33 Å²	33	97.9 Å²	97.9	34%	0.34	52%	0.515	S	S	.	.	H	α-helix	trans	-67.7	-41.8	176.5	0	0	0	0	0	112.4	I187 S188 A189 E193 A194 L195	I187-G191 PolarHBondContact O-N 3.44Å; S188-G191 PolarHBondContact O-N 2.95Å; A189-G191 VanDerWaalsContact C-N 3.31Å; A189-G191 PolarHBondContact O-N 3.44Å; G191-E193 VanDerWaalsContact C-N 3.31Å; G191-E193 PolarHBondContact O-N 3Å; G191-A194 PolarHBondContact O-N 3.22Å; G191-L195 WeakPolarHBondContact O-CB 3.41Å; G191-L195 PolarHBondContact O-N 3.45Å
192	E	81.8	Confident	82.9	Confident	144 Å²	144	101.2 Å²	101.2	67%	0.673	53%	0.527	S	S	*	.	H	α-helix	trans	-61.5	-39.4	174.4	-74.2	177.6	-170.8	0	0	111.8	S188 A189 L195 R196	S188-E192 WeakPolarHBondContact O-CG 3.46Å; S188-E192 PolarHBondContact O-N 2.78Å; A189-E192 PolarHBondContact O-N 3.29Å; E192-L195 PolarHBondContact O-N 2.95Å; E192-R196 WeakPolarHBondContact O-CB 3.43Å; E192-R196 PolarHBondContact O-N 3.36Å
193	E	78.7	Confident	81.4	Confident	129 Å²	129	103.1 Å²	103.1	60%	0.603	53%	0.534	S	S	*	.	H	α-helix	trans	-63.6	-47.2	175.3	-70.5	176.8	172.1	0	0	111.8	A189 A190 G191 L195 R196 E197	A189-E193 PolarHBondContact O-N 3.1Å; A190-E193 PolarHBondContact O-N 3.43Å; G191-E193 VanDerWaalsContact C-N 3.31Å; G191-E193 PolarHBondContact O-N 3Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-L195 PolarHBondContact O-N 3.42Å; E193-R196 PolarHBondContact O-N 2.94Å; E193-E197 WeakPolarHBondContact O-CG 3.35Å; E193-E197 PolarHBondContact O-N 2.95Å
194	A	75	Confident	80	Confident	56 Å²	56	106.3 Å²	106.3	46%	0.463	55%	0.547	S	S	.	.	H	α-helix	trans	-62.3	-38.8	177.1	0	0	0	0	0	112.6	A190 G191 R196 E197 S198	A190-A194 PolarHBondContact O-N 3.48Å; A190-A194 VanDerWaalsContact O-N 3.1Å; G191-A194 PolarHBondContact O-N 3.22Å; A194-R196 VanDerWaalsContact C-N 3.34Å; A194-E197 PolarHBondContact O-N 2.89Å; A194-S198 PolarHBondContact O-N 3.24Å; A194-S198 PolarHBondContact O-OG 3.02Å
195	L	74.6	Confident	78.6	Confident	126 Å²	126	100.7 Å²	100.7	66%	0.66	54%	0.536	S	S	*	.	H	α-helix	trans	-68.4	-35	178	-134.8	137.6	0	0	0	111.8	G191 E192 E193 S198 A199	G191-L195 WeakPolarHBondContact O-CB 3.41Å; G191-L195 PolarHBondContact O-N 3.45Å; E192-L195 PolarHBondContact O-N 2.95Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-L195 PolarHBondContact O-N 3.42Å; L195-S198 WeakPolarHBondContact CA-OG 3.39Å; L195-S198 PolarHBondContact O-OG 3.27Å; L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 3.35Å
196	R	73.3	Confident	77	Confident	162 Å²	162	96.5 Å²	96.5	61%	0.611	53%	0.526	S	S	*	.	H	α-helix	trans	-70.5	-38.2	174.5	-159.8	177.5	72.2	89.1	3.6	111.7	E192 E193 A194 N200	E192-R196 WeakPolarHBondContact O-CB 3.43Å; E192-R196 PolarHBondContact O-N 3.36Å; E193-R196 PolarHBondContact O-N 2.94Å; A194-R196 VanDerWaalsContact C-N 3.34Å; R196-N200 WeakPolarHBondContact O-CB 3.48Å; R196-N200 PolarHBondContact O-N 3.37Å; R196-N200 PolarHBondContact O-ND2 2.97Å
197	E	76.8	Confident	75.4	Confident	137 Å²	137	92 Å²	92	64%	0.64	52%	0.515	S	S	*	.	H	α-helix	trans	-65.1	-43.4	173.5	-74.3	-176.3	171.8	0	0	112.1	E193 A194 N200 A201	E193-E197 WeakPolarHBondContact O-CG 3.35Å; E193-E197 PolarHBondContact O-N 2.95Å; A194-E197 PolarHBondContact O-N 2.89Å; E197-N200 PolarHBondContact O-N 2.97Å; E197-A201 WeakPolarHBondContact O-CB 3.48Å; E197-A201 PolarHBondContact O-N 3.34Å
198	S	72	Confident	73.7	Confident	68 Å²	68	89.6 Å²	89.6	48%	0.476	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-41	175.4	60.3	0	0	0	0	112.5	A194 L195 A201 E202	A194-S198 PolarHBondContact O-N 3.24Å; A194-S198 PolarHBondContact O-OG 3.02Å; L195-S198 WeakPolarHBondContact CA-OG 3.39Å; L195-S198 PolarHBondContact O-OG 3.27Å; S198-A201 PolarHBondContact O-N 3.49Å; S198-E202 WeakPolarHBondContact O-CB 3.35Å; S198-E202 PolarHBondContact O-N 3.42Å
199	A	73.5	Confident	72.2	Confident	48 Å²	48	94.6 Å²	94.6	40%	0.397	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-37.4	177.2	0	0	0	0	0	112.5	L195 E202 Y203	L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 3.35Å; A199-E202 PolarHBondContact O-N 3.48Å; A199-Y203 WeakPolarHBondContact O-CB 3.5Å; A199-Y203 PolarHBondContact O-N 2.93Å
200	N	71.1	Confident	70.6	Confident	79 Å²	79	96 Å²	96	42%	0.422	53%	0.534	S	S	.	.	H	α-helix	trans	-66.9	-39.5	174.3	-73.7	-21.5	0	0	0	111.9	R196 E197 E202 Y203 L204	R196-N200 WeakPolarHBondContact O-CB 3.48Å; R196-N200 PolarHBondContact O-N 3.37Å; R196-N200 PolarHBondContact O-ND2 2.97Å; E197-N200 PolarHBondContact O-N 2.97Å; N200-E202 VanDerWaalsContact C-N 3.35Å; N200-Y203 PolarHBondContact O-N 3.42Å; N200-L204 WeakPolarHBondContact O-CB 3.48Å; N200-L204 WeakPolarHBondContact O-CG 3.46Å; N200-L204 PolarHBondContact O-N 3.04Å
201	A	73.8	Confident	68.8	Low	61 Å²	61	101.4 Å²	101.4	50%	0.504	55%	0.546	S	S	.	.	H	α-helix	trans	-63.6	-40.9	174.8	0	0	0	0	0	111.6	E197 S198 L204 A205	E197-A201 WeakPolarHBondContact O-CB 3.48Å; E197-A201 PolarHBondContact O-N 3.34Å; S198-A201 PolarHBondContact O-N 3.49Å; A201-L204 PolarHBondContact O-N 3.34Å; A201-A205 PolarHBondContact O-N 3.02Å
202	E	72.8	Confident	67.3	Low	128 Å²	128	106.8 Å²	106.8	60%	0.598	57%	0.567	S	S	*	*	H	α-helix	trans	-65.9	-44.2	175.7	-170.4	174.7	-178.4	0	0	112.2	S198 A199 N200 L204 A205 I206	S198-E202 WeakPolarHBondContact O-CB 3.35Å; S198-E202 PolarHBondContact O-N 3.42Å; A199-E202 PolarHBondContact O-N 3.48Å; N200-E202 VanDerWaalsContact C-N 3.35Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 2.94Å; E202-A205 WeakPolarHBondContact O-CB 3.35Å; E202-A205 PolarHBondContact O-N 3.44Å; E202-I206 HydrophobicContact CG-CD1 4.13Å; E202-I206 WeakPolarHBondContact O-CG1 3.38Å; E202-I206 PolarHBondContact O-N 2.68Å
203	Y	64.6	Low	65.6	Low	176 Å²	176	106.9 Å²	106.9	69%	0.69	57%	0.573	S	S	*	*	H	α-helix	trans	-62.5	-40	176.4	-166	-88.3	0	0	0	112.5	A199 N200 A205 I206 A207	A199-Y203 WeakPolarHBondContact O-CB 3.5Å; A199-Y203 PolarHBondContact O-N 2.93Å; N200-Y203 PolarHBondContact O-N 3.42Å; Y203-A205 VanDerWaalsContact C-N 3.34Å; Y203-I206 PolarHBondContact O-N 2.97Å; Y203-A207 WeakPolarHBondContact O-CB 3.47Å; Y203-A207 PolarHBondContact O-N 3.07Å
204	L	67	Low	64.2	Low	123 Å²	123	106.2 Å²	106.2	64%	0.644	58%	0.581	S	S	*	*	H	α-helix	trans	-65.1	-37.4	174.8	-75.9	168.6	0	0	0	112.2	N200 A201 E202 A207 S208	N200-L204 WeakPolarHBondContact O-CB 3.48Å; N200-L204 WeakPolarHBondContact O-CG 3.46Å; N200-L204 PolarHBondContact O-N 3.04Å; A201-L204 PolarHBondContact O-N 3.34Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 2.94Å; L204-A207 PolarHBondContact O-N 3.48Å; L204-S208 PolarHBondContact O-N 3.5Å; L204-S208 PolarHBondContact O-OG 3.48Å
205	A	66.1	Low	62.6	Low	53 Å²	53	106.9 Å²	106.9	44%	0.438	59%	0.593	S	S	.	*	H	α-helix	trans	-64.4	-45.8	174.6	0	0	0	0	0	111.7	A201 E202 Y203 A207 S208 E209	A201-A205 PolarHBondContact O-N 3.02Å; E202-A205 WeakPolarHBondContact O-CB 3.35Å; E202-A205 PolarHBondContact O-N 3.44Å; Y203-A205 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.22Å; A205-S208 PolarHBondContact O-N 3.43Å; A205-S208 PolarHBondContact O-OG 2.97Å; A205-E209 PolarHBondContact O-N 3.14Å; A205-E209 VanDerWaalsContact O-N 3.14Å
206	I	61.3	Low	61	Low	96 Å²	96	106.8 Å²	106.8	49%	0.492	60%	0.597	S	S	.	*	H	α-helix	trans	-63.9	-39.5	177.1	-64	165.2	0	0	0	111.3	E202 Y203 S208 E209 S210	E202-I206 HydrophobicContact CG-CD1 4.13Å; E202-I206 WeakPolarHBondContact O-CG1 3.38Å; E202-I206 PolarHBondContact O-N 2.68Å; Y203-I206 PolarHBondContact O-N 2.97Å; I206-S208 PolarHBondContact O-N 3.25Å; I206-E209 PolarHBondContact O-N 3.18Å; I206-S210 PolarHBondContact O-N 3.27Å
207	A	59.6	Low	59.7	Low	42 Å²	42	108.4 Å²	108.4	35%	0.347	61%	0.612	S	S	.	*	H	α-helix	trans	-65	-37	176.9	0	0	0	0	0	112.6	Y203 L204 A205 S210 K211	Y203-A207 WeakPolarHBondContact O-CB 3.47Å; Y203-A207 PolarHBondContact O-N 3.07Å; L204-A207 PolarHBondContact O-N 3.48Å; A205-A207 PolarHBondContact O-N 3.22Å; A207-S210 PolarHBondContact O-OG 3.06Å; A207-K211 PolarHBondContact O-N 3.49Å
208	S	57.9	Low	57.9	Low	69 Å²	69	107.9 Å²	107.9	48%	0.483	62%	0.618	S	S	.	*	H	α-helix	trans	-64.9	-39.7	173.7	61.9	0	0	0	0	112.4	L204 A205 I206 S210 K211	L204-S208 PolarHBondContact O-N 3.5Å; L204-S208 PolarHBondContact O-OG 3.48Å; A205-S208 PolarHBondContact O-N 3.43Å; A205-S208 PolarHBondContact O-OG 2.97Å; I206-S208 PolarHBondContact O-N 3.25Å; S208-S210 PolarHBondContact O-N 3.24Å; S208-K211 PolarHBondContact O-N 3.48Å
209	E	57.3	Low	56	Low	150 Å²	150	108.7 Å²	108.7	70%	0.701	63%	0.629	S	S	*	*	H	α-helix	trans	-69.1	-34.7	179	-159.6	175.1	-165.4	0	0	112.2	A205 I206 K211	A205-E209 PolarHBondContact O-N 3.14Å; A205-E209 VanDerWaalsContact O-N 3.14Å; I206-E209 PolarHBondContact O-N 3.18Å; E209-K211 VanDerWaalsContact C-N 3.35Å; E209-K211 PolarHBondContact O-N 3.3Å
210	S	54.5	Low	54.1	Low	80 Å²	80	119.3 Å²	119.3	56%	0.559	67%	0.67	S	S	*	*	H	α-helix	trans	-72.8	-24.9	175	86.8	0	0	0	0	113.8	I206 A207 S208 D212 N213	I206-S210 PolarHBondContact O-N 3.27Å; A207-S210 PolarHBondContact O-OG 3.06Å; S208-S210 PolarHBondContact O-N 3.24Å; S210-D212 VanDerWaalsContact C-N 3.34Å; S210-N213 PolarHBondContact O-N 3.43Å
211	K	49	Very low	53.3	Low	169 Å²	169	121.3 Å²	121.3	74%	0.735	68%	0.682	S	S	*	*	H	α-helix	trans	-74.4	-26.4	-178.6	-164	172.2	178.3	70.5	0	112.2	A207 S208 E209 N213	A207-K211 PolarHBondContact O-N 3.49Å; S208-K211 PolarHBondContact O-N 3.48Å; E209-K211 VanDerWaalsContact C-N 3.35Å; E209-K211 PolarHBondContact O-N 3.3Å; K211-N213 VanDerWaalsContact C-N 3.31Å; K211-N213 PolarHBondContact O-N 3.5Å
212	D	51.8	Low	52.2	Low	146 Å²	146	124.5 Å²	124.5	78%	0.781	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-12.6	177.1	-68	-24.3	0	0	0	113.3	S210	S210-D212 VanDerWaalsContact C-N 3.34Å
213	N	46.8	Very low	51	Low	146 Å²	146	124.3 Å²	124.3	78%	0.781	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	6.4	179.1	-158.6	51.9	0	0	0	114.4	S210 K211	S210-N213 PolarHBondContact O-N 3.43Å; K211-N213 VanDerWaalsContact C-N 3.31Å; K211-N213 PolarHBondContact O-N 3.5Å
214	C	48.7	Very low	50.2	Low	116 Å²	116	121.2 Å²	121.2	78%	0.784	70%	0.697	S	S	*	*			trans	-106.5	34.7	176.9	-107.5	0	0	0	0	113.6
215	G	42.8	Very low	49.2	Very low	69 Å²	69	121.1 Å²	121.1	71%	0.711	70%	0.701	S	S	*	*			trans	-94	94.4	165.2	0	0	0	0	0	111.3	Q217	G215-Q217 PolarHBondContact O-N 3.48Å
216	V	40.3	Very low	48.1	Very low	124 Å²	124	125.7 Å²	125.7	75%	0.752	72%	0.718	S	S	*	*			trans	-22.2	119.6	168.5	178.9	0	0	0	0	115.2	V218	V216-V218 HydrophobicContact CG1-CB 4.1Å; V216-V218 HydrophobicContact CG1-CG2 3.92Å
217	Q	47	Very low	47.1	Very low	197 Å²	197	127.8 Å²	127.8	92%	0.921	73%	0.734	S	S	*	*			trans	-90	101.2	154.5	-77.8	-168.9	-16.8	0	0	109.8	G215	G215-Q217 PolarHBondContact O-N 3.48Å
218	V	37.6	Very low	46.2	Very low	126 Å²	126	134.4 Å²	134.4	76%	0.764	76%	0.764	S	S	*	*			trans	-161.5	130	161.9	-175.2	0	0	0	0	104.8	V216	V216-V218 HydrophobicContact CG1-CB 4.1Å; V216-V218 HydrophobicContact CG1-CG2 3.92Å
219	A	31.9	Very low	45.2	Very low	85 Å²	85	139.8 Å²	139.8	70%	0.702	79%	0.788	S	S	*	*			cis	-154.9	179.1	7	0	0	0	0	0	108.2
220	E	34.7	Very low	44.1	Very low	270 Å²	270	138.9 Å²	138.9	100%	1.262	80%	0.796	S	S	*	*			trans	-18.3	0	159.4	-68.2	175.5	125.9	0	0	117.8

Retrieved 220 of 220 residues in 159.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).