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Isoform 2 of Heterogeneous nuclear ribonucleoprotein A1 AlphaSync

Canonical isoform description: Involved in the packaging of pre-mRNA into hnRNP particles, transport of poly(A) mRNA from the nucleus to the cytoplasm and modulation of splice site selection¹. Plays a role in the splicing of pyruvate kinase PKM by binding repressively to sequences flanking PKM exon 9, inhibiting exon 9 inclusion and resulting in exon 10 inclusion and production of the PKM M2 isoform². Binds to the IRES and thereby inhibits the translation of the apoptosis protease activating factor APAF1³. May bind to specific miRNA hairpins⁴. (Microbial infection) May play a role in HCV RNA replication. (Microbial infection) Cleavage by Enterovirus 71 protease 3C results in increased translation of apoptosis protease activating factor APAF1, leading to apoptosis.

AlphaFold DB , UniProt , Accession P09651-3 (canonical: P09651), Species HUMAN (Homo sapiens, Human), Gene HNRNPA1, Length 267 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	36.8	Very low	58.6	Low	249 Å²	249	131 Å²	131	100%	1.227	71%	0.714	S	S	*	*				0	101.2	0	-72.4	-177.3	176.8	0	0	107.9	K3	M1-K3 PolarHBondContact O-N 2.85Å
2	S	40.6	Very low	61.2	Low	128 Å²	128	124.7 Å²	124.7	90%	0.895	68%	0.676	S	S	*	*			trans	-80.6	106.2	177	14.5	0	0	0	0	108.5	S4	S2-S4 PolarHBondContact O-N 3.39Å
3	K	39	Very low	63.7	Low	204 Å²	204	119.5 Å²	119.5	89%	0.887	65%	0.647	S	S	*	*			trans	-68.7	116	173.7	-145.1	173.9	-174.5	-178.4	0	106.8	M1 E5	M1-K3 PolarHBondContact O-N 2.85Å; K3-E5 PolarHBondContact O-N 3.33Å
4	S	39.4	Very low	66	Low	113 Å²	113	112.6 Å²	112.6	79%	0.79	61%	0.607	S	S	*	*			trans	-54.7	108.9	173.6	49.2	0	0	0	0	109.3	S2 S6	S2-S4 PolarHBondContact O-N 3.39Å; S4-S6 PolarHBondContact O-N 3.12Å
5	E	47.2	Very low	68	Low	142 Å²	142	107.3 Å²	107.3	66%	0.664	58%	0.576	S	S	*	*			trans	-68.7	108.9	174.5	-118.6	170	-156.8	0	0	108.1	K3 K8	K3-E5 PolarHBondContact O-N 3.33Å; E5-K8 HydrophobicContact CG-CD 4.23Å; E5-K8 HydrophobicContact CG-CG 4.44Å; E5-K8 WeakPolarHBondContact OE1-CE 3.43Å; E5-K8 IonicContact OE1-NZ 2.8Å; E5-K8 PolarHBondContact OE1-NZ 3.23Å; E5-K8 IonicContact OE2-NZ 3.58Å
6	S	53.7	Low	69.9	Low	92 Å²	92	100.6 Å²	100.6	64%	0.643	54%	0.54	S	S	*	.			trans	-49.9	147.7	161.1	22.9	0	0	0	0	108.9	S4 K8	S4-S6 PolarHBondContact O-N 3.12Å; S6-K8 PolarHBondContact O-N 3.38Å
7	P	54.6	Low	71.6	Confident	130 Å²	130	97.8 Å²	97.8	84%	0.844	52%	0.522	S	S	*	.			trans	-55.3	104.9	178.4	22.4	-31.3	0	0	0	108.2	E9	P7-E9 PolarHBondContact O-N 2.79Å
8	K	69.2	Low	73.1	Confident	123 Å²	123	92.3 Å²	92.3	54%	0.535	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-61.6	131.3	-174.5	-79.7	171.9	159.6	173.4	0	107.9	E5 S6	E5-K8 HydrophobicContact CG-CD 4.23Å; E5-K8 HydrophobicContact CG-CG 4.44Å; E5-K8 WeakPolarHBondContact OE1-CE 3.43Å; E5-K8 IonicContact OE1-NZ 2.8Å; E5-K8 PolarHBondContact OE1-NZ 3.23Å; E5-K8 IonicContact OE2-NZ 3.58Å; S6-K8 PolarHBondContact O-N 3.38Å
9	E	82.2	Confident	74.4	Confident	78 Å²	78	87.8 Å²	87.8	36%	0.364	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-49.6	141.6	173.2	-59.8	167.8	132	0	0	109.5	P7 E11 R14 T64 V65	P7-E9 PolarHBondContact O-N 2.79Å; E9-E11 PolarHBondContact O-N 2.91Å; E9-R14 HydrophobicContact CB-CG 4.22Å; E9-R14 PolarHBondContact O-NE 3Å; E9-R14 PolarHBondContact O-NH2 3.45Å; E9-T64 WeakPolarHBondContact OE2-CA 3.48Å; E9-V65 HydrophobicContact CB-CG2 4.22Å; E9-V65 VanDerWaalsContact CD-CG2 3.49Å; E9-V65 HydrophobicContact CG-CG2 4.39Å; E9-V65 WeakPolarHBondContact OE2-CG2 3.43Å; E9-V65 PolarHBondContact OE2-N 2.84Å
10	P	90.1	Very high	75.5	Confident	84 Å²	84	85 Å²	85	55%	0.545	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-47.8	134.6	179.4	-27.7	31.6	0	0	0	111.8	Q12 L13	P10-Q12 PolarHBondContact O-N 3.48Å; P10-L13 HydrophobicContact CB-CG 4.34Å; P10-L13 HydrophobicContact CG-CD1 4.2Å; P10-L13 PolarHBondContact O-N 2.78Å
11	E	91.1	Very high	76.6	Confident	98 Å²	98	81.2 Å²	81.2	46%	0.458	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-50.6	-38.8	-179	-170.8	-161.8	139.2	0	0	111.7	E9 L13 R14 K15 T61	E9-E11 PolarHBondContact O-N 2.91Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 2.79Å; E11-R14 CarbonylContact O-C 3.53Å; E11-R14 WeakPolarHBondContact O-CA 3.37Å; E11-R14 PolarHBondContact O-N 3.27Å; E11-K15 VanDerWaalsContact O-CB 3.31Å; E11-K15 WeakPolarHBondContact O-CB 3.49Å; E11-K15 PolarHBondContact O-N 3.16Å; E11-K15 VanDerWaalsContact O-N 3.11Å; E11-K15 IonicContact OE1-NZ 3.78Å; E11-K15 PolarHBondContact OE1-NZ 3.32Å; E11-T61 HydrophobicContact CG-CG2 3.68Å
12	Q	90.5	Very high	79.5	Confident	55 Å²	55	70.4 Å²	70.4	26%	0.257	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-55.2	-38.2	178.8	-170.1	62.6	53.3	0	0	113.5	P10 R14 A89 V90	P10-Q12 PolarHBondContact O-N 3.48Å; Q12-R14 VanDerWaalsContact C-N 3.3Å; Q12-A89 VanDerWaalsContact NE2-CB 3.29Å; Q12-A89 PolarHBondContact NE2-O 2.91Å; Q12-V90 PolarHBondContact NE2-O 3.13Å
13	L	93.1	Very high	82.1	Confident	58 Å²	58	70.9 Å²	70.9	30%	0.304	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-74.5	-25.7	179.3	-62.4	-178.1	0	0	0	112.1	P10 E11 V65 I164	P10-L13 HydrophobicContact CB-CG 4.34Å; P10-L13 HydrophobicContact CG-CD1 4.2Å; P10-L13 PolarHBondContact O-N 2.78Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 2.79Å; L13-V65 HydrophobicContact CB-CG2 3.68Å; L13-I164 HydrophobicContact CD2-CB 4.37Å; L13-I164 HydrophobicContact CD2-CD1 3.94Å; L13-I164 HydrophobicContact CD2-CG2 3.56Å
14	R	95.8	Very high	84.8	Confident	22 Å²	22	69 Å²	69	8%	0.083	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-94.6	3.1	-178.5	-64.6	-172.8	-72.1	100.2	2	113.6	E9 E11 Q12 T61 Y62 A63 V65 V68	E9-R14 HydrophobicContact CB-CG 4.22Å; E9-R14 PolarHBondContact O-NE 3Å; E9-R14 PolarHBondContact O-NH2 3.45Å; E11-R14 CarbonylContact O-C 3.53Å; E11-R14 WeakPolarHBondContact O-CA 3.37Å; E11-R14 PolarHBondContact O-N 3.27Å; Q12-R14 VanDerWaalsContact C-N 3.3Å; R14-T61 HydrophobicContact CB-CG2 4.33Å; R14-T61 CarbonylContact O-C 3.44Å; R14-T61 WeakPolarHBondContact O-CA 3.26Å; R14-Y62 PolarHBondContact NH1-O 2.96Å; R14-Y62 PolarHBondContact O-N 3.08Å; R14-A63 VanDerWaalsContact CD-C 3.49Å; R14-A63 WeakPolarHBondContact CD-O 3.45Å; R14-V65 HydrophobicContact CG-CG2 3.79Å; R14-V68 HydrophobicContact CB-CG2 4.45Å; R14-V68 WeakPolarHBondContact O-CG2 3.43Å
15	K	97.3	Very high	87.6	Confident	34 Å²	34	63.6 Å²	63.6	15%	0.148	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.8	-172.2	-168.2	170.9	-155.8	150.5	0	111.5	E11 F59 V60 T61 A89	E11-K15 VanDerWaalsContact O-CB 3.31Å; E11-K15 WeakPolarHBondContact O-CB 3.49Å; E11-K15 PolarHBondContact O-N 3.16Å; E11-K15 VanDerWaalsContact O-N 3.11Å; E11-K15 IonicContact OE1-NZ 3.78Å; E11-K15 PolarHBondContact OE1-NZ 3.32Å; K15-F59 HydrophobicContact CD-CD1 4.33Å; K15-F59 HydrophobicContact CG-CB 4.45Å; K15-F59 HydrophobicContact CG-CD1 4.27Å; K15-V60 WeakPolarHBondContact CA-O 3.47Å; K15-T61 HydrophobicContact CB-CG2 4.41Å; K15-A89 HydrophobicContact CB-CB 3.85Å; K15-A89 HydrophobicContact CD-CB 4.22Å; K15-A89 HydrophobicContact CG-CB 3.79Å; K15-A89 VanDerWaalsContact O-CB 3.25Å; K15-A89 WeakPolarHBondContact O-CB 2.92Å; K15-A89 PolarHBondContact O-N 3.47Å
16	L	98.1	Very high	90	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138.6	170.9	-66.5	178.5	0	0	0	110.6	I18 F59 V60 Y62 V68 A71 M72 K87	L16-I18 HydrophobicContact CB-CD1 3.84Å; L16-F59 VanDerWaalsContact O-CA 3.24Å; L16-F59 WeakPolarHBondContact O-CA 3.34Å; L16-V60 HydrophobicContact CB-CG2 3.82Å; L16-V60 HydrophobicContact CD1-CG2 4.35Å; L16-V60 HydrophobicContact CG-CG2 4.5Å; L16-V60 PolarHBondContact N-O 3.35Å; L16-V60 PolarHBondContact O-N 3.36Å; L16-V60 VanDerWaalsContact O-N 3.1Å; L16-Y62 HydrophobicContact CD1-CE2 4.07Å; L16-V68 HydrophobicContact CD1-CG1 4.06Å; L16-V68 HydrophobicContact CD2-CG1 3.41Å; L16-V68 VanDerWaalsContact CD2-CG1 3.41Å; L16-V68 HydrophobicContact CG-CG1 3.68Å; L16-A71 HydrophobicContact CD1-CB 4.11Å; L16-M72 HydrophobicContact CD1-CG 4.34Å; L16-M72 HydrophobicContact CD1-SD 4.11Å; L16-M72 HydrophobicContact CD2-CG 3.91Å; L16-M72 HydrophobicContact CD2-SD 3.62Å; L16-K87 CarbonylContact C-O 3.57Å; L16-K87 VanDerWaalsContact CA-O 3.31Å; L16-K87 WeakPolarHBondContact CA-O 3.5Å; L16-K87 WeakPolarHBondContact CD2-O 3.43Å
17	F	98	Very high	92.1	Very high	52 Å²	52	57.2 Å²	57.2	23%	0.228	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.9	159.9	167.8	-92.4	0	0	0	108.6	G19 F57 F59 P86 K87	F17-G19 VanDerWaalsContact CE1-CA 3.47Å; F17-F57 HydrophobicContact CD2-CD2 4.12Å; F17-F57 HydrophobicContact CE2-CB 3.75Å; F17-F57 AromaticContact CE2-CD2 3.47Å; F17-F57 HydrophobicContact CE2-CD2 3.47Å; F17-F57 VanDerWaalsContact CE2-CD2 3.47Å; F17-F57 HydrophobicContact CE2-CE2 4.27Å; F17-F57 AromaticContact CE2-CG 3.84Å; F17-F57 HydrophobicContact CE2-CG 3.84Å; F17-F57 HydrophobicContact CZ-CB 3.87Å; F17-F57 HydrophobicContact CZ-CD2 4.39Å; F17-F57 HydrophobicContact CZ-CG 4.33Å; F17-F59 HydrophobicContact CB-CD1 4.24Å; F17-F59 HydrophobicContact CB-CE1 3.94Å; F17-F59 AromaticContact CD2-CE1 3.87Å; F17-F59 HydrophobicContact CD2-CE1 3.87Å; F17-F59 AromaticContact CD2-CZ 3.94Å; F17-F59 HydrophobicContact CD2-CZ 3.94Å; F17-F59 HydrophobicContact CG-CE1 4.42Å; F17-P86 CarbonylContact O-C 3.46Å; F17-P86 WeakPolarHBondContact O-CA 3.3Å; F17-K87 HydrophobicContact CD1-CB 4.39Å; F17-K87 HydrophobicContact CD1-CD 4.46Å; F17-K87 PolarHBondContact N-O 2.78Å; F17-K87 PolarHBondContact O-N 2.87Å
18	I	98.4	Very high	94.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	103.1	176.9	-46.4	-57.6	0	0	0	108.7	L16 L21 L30 F34 F57 G58 V60 V84 P86	L16-I18 HydrophobicContact CB-CD1 3.84Å; I18-L21 HydrophobicContact CB-CD2 4.29Å; I18-L21 HydrophobicContact CG2-CD2 3.48Å; I18-L21 VanDerWaalsContact CG2-CD2 3.48Å; I18-L21 HydrophobicContact CG2-CG 4.23Å; I18-L30 HydrophobicContact CG1-CD1 4.43Å; I18-L30 HydrophobicContact CG2-CD1 4.25Å; I18-F34 HydrophobicContact CD1-CE1 3.93Å; I18-F34 HydrophobicContact CD1-CE2 3.85Å; I18-F34 HydrophobicContact CD1-CZ 3.47Å; I18-F34 VanDerWaalsContact CD1-CZ 3.47Å; I18-F34 HydrophobicContact CG1-CE2 3.92Å; I18-F34 HydrophobicContact CG1-CZ 4.06Å; I18-F34 HydrophobicContact CG2-CE2 3.98Å; I18-F34 HydrophobicContact CG2-CZ 4.11Å; I18-F57 CarbonylContact O-C 3.57Å; I18-F57 WeakPolarHBondContact O-CA 3.19Å; I18-F57 WeakPolarHBondContact O-CB 3.27Å; I18-G58 PolarHBondContact N-O 3.39Å; I18-G58 PolarHBondContact O-N 2.94Å; I18-V60 HydrophobicContact CD1-CG2 3.98Å; I18-V60 HydrophobicContact CG1-CG1 4.3Å; I18-V60 HydrophobicContact CG1-CG2 4.15Å; I18-V84 HydrophobicContact CG2-CB 3.88Å; I18-V84 HydrophobicContact CG2-CG1 4.43Å; I18-V84 HydrophobicContact CG2-CG2 3.9Å; I18-P86 HydrophobicContact CD1-CB 3.69Å
19	G	97.7	Very high	95.6	Very high	6 Å²	6	52.8 Å²	52.8	6%	0.062	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	155.9	177.7	0	0	0	0	0	112.9	F17 L21 V84 E85	F17-G19 VanDerWaalsContact CE1-CA 3.47Å; G19-L21 PolarHBondContact O-N 2.81Å; G19-V84 WeakPolarHBondContact O-CA 3.39Å; G19-E85 PolarHBondContact N-O 3.04Å; G19-E85 PolarHBondContact O-N 3.28Å
20	G	97.3	Very high	96.3	Very high	32 Å²	32	49 Å²	49	33%	0.33	26%	0.255	S	S	.	.	S	Bend	trans	74.7	24	171.2	0	0	0	0	0	114.4	G56 R82	G20-G56 PolarHBondContact N-O 2.99Å; G20-R82 WeakPolarHBondContact O-CD 3.42Å; G20-R82 WeakPolarHBondContact O-CG 3.19Å; G20-R82 PolarHBondContact O-NE 3.41Å
21	L	98.3	Very high	96.7	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	24%	0.243	C	C	.	.			trans	-58.4	152.4	173.9	-62.7	-177.3	0	0	0	111.5	I18 G19 T25 L30 V45 G56 F57 V84	I18-L21 HydrophobicContact CB-CD2 4.29Å; I18-L21 HydrophobicContact CG2-CD2 3.48Å; I18-L21 VanDerWaalsContact CG2-CD2 3.48Å; I18-L21 HydrophobicContact CG2-CG 4.23Å; G19-L21 PolarHBondContact O-N 2.81Å; L21-T25 HydrophobicContact CB-CG2 4.44Å; L21-T25 HydrophobicContact CD1-CG2 4.19Å; L21-T25 HydrophobicContact CD2-CG2 4.21Å; L21-L30 HydrophobicContact CD1-CD1 4.39Å; L21-L30 HydrophobicContact CD1-CD2 4.17Å; L21-L30 HydrophobicContact CD2-CD1 3.81Å; L21-V45 HydrophobicContact CD1-CG1 4.25Å; L21-V45 HydrophobicContact CD1-CG2 4.11Å; L21-G56 PolarHBondContact N-O 3.29Å; L21-F57 VanDerWaalsContact CD1-C 3.49Å; L21-V84 HydrophobicContact CD2-CB 4.41Å; L21-V84 HydrophobicContact CD2-CG1 3.71Å
22	S	97.3	Very high	97.1	Very high	23 Å²	23	48 Å²	48	16%	0.161	25%	0.249	C	C	.	.			trans	-63.2	150.7	167.3	-176.5	0	0	0	0	109.3	E24 T25	S22-E24 PolarHBondContact O-N 3.43Å; S22-E24 PolarHBondContact OG-N 3.02Å; S22-T25 WeakPolarHBondContact CB-OG1 2.96Å; S22-T25 PolarHBondContact N-OG1 3.28Å; S22-T25 WeakPolarHBondContact O-CB 3.15Å; S22-T25 PolarHBondContact O-N 3.08Å; S22-T25 VanDerWaalsContact O-N 3.17Å
23	F	96.4	Very high	97.5	Very high	137 Å²	137	47 Å²	47	60%	0.601	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-18.6	171.9	-66	-53	0	0	0	112.5	S54	F23-S54 WeakPolarHBondContact CD1-O 3.22Å; F23-S54 WeakPolarHBondContact O-CB 3.16Å
24	E	95.8	Very high	97.7	Very high	164 Å²	164	44.2 Å²	44.2	77%	0.766	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-14.8	177	-62.8	175.4	176.8	0	0	112.9	S22 T26	S22-E24 PolarHBondContact O-N 3.43Å; S22-E24 PolarHBondContact OG-N 3.02Å; E24-T26 PolarHBondContact O-N 2.91Å
25	T	97.8	Very high	97.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.			trans	-59.8	132.8	179.4	-63	0	0	0	0	111	L21 S22 L30 V45 R47 V79 D80	L21-T25 HydrophobicContact CB-CG2 4.44Å; L21-T25 HydrophobicContact CD1-CG2 4.19Å; L21-T25 HydrophobicContact CD2-CG2 4.21Å; S22-T25 WeakPolarHBondContact CB-OG1 2.96Å; S22-T25 PolarHBondContact N-OG1 3.28Å; S22-T25 WeakPolarHBondContact O-CB 3.15Å; S22-T25 PolarHBondContact O-N 3.08Å; S22-T25 VanDerWaalsContact O-N 3.17Å; T25-L30 HydrophobicContact CG2-CB 4.07Å; T25-V45 HydrophobicContact CG2-CG2 4.13Å; T25-R47 PolarHBondContact O-NH2 3.17Å; T25-R47 VanDerWaalsContact O-NH2 3.11Å; T25-V79 HydrophobicContact CG2-CG1 3.97Å; T25-D80 WeakPolarHBondContact CA-OD2 3.26Å; T25-D80 VanDerWaalsContact CB-OD2 3.23Å; T25-D80 WeakPolarHBondContact CB-OD2 3.16Å; T25-D80 WeakPolarHBondContact CG2-OD2 3.28Å; T25-D80 PolarHBondContact OG1-OD2 2.92Å
26	T	97.7	Very high	97.9	Very high	49 Å²	49	52.1 Å²	52.1	30%	0.301	27%	0.268	S	S	.	.			trans	-109.7	169.3	178.3	78.5	0	0	0	0	111	E24 E28 S29 L30 V45	E24-T26 PolarHBondContact O-N 2.91Å; T26-E28 WeakPolarHBondContact CB-OE2 3.44Å; T26-E28 PolarHBondContact O-N 3.03Å; T26-E28 PolarHBondContact OG1-N 2.77Å; T26-E28 PolarHBondContact OG1-OE2 2.93Å; T26-S29 PolarHBondContact N-OG 3.49Å; T26-S29 PolarHBondContact O-N 3.25Å; T26-S29 PolarHBondContact O-OG 2.97Å; T26-S29 PolarHBondContact OG1-N 3.31Å; T26-L30 VanDerWaalsContact O-CB 3.26Å; T26-L30 WeakPolarHBondContact O-CB 3.5Å; T26-L30 PolarHBondContact O-N 3.36Å; T26-V45 WeakPolarHBondContact O-CG2 3.34Å
27	D	97.9	Very high	97.9	Very high	51 Å²	51	55.1 Å²	55.1	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-33.9	178.2	-61.8	5.8	0	0	0	109.7	R31 C43 V45	D27-R31 WeakPolarHBondContact O-CB 3.29Å; D27-R31 PolarHBondContact O-N 2.73Å; D27-C43 PolarHBondContact O-SG 3.13Å; D27-C43 VanDerWaalsContact O-SG 3.35Å; D27-V45 WeakPolarHBondContact OD1-CA 3.47Å; D27-V45 WeakPolarHBondContact OD1-CB 3.21Å; D27-V45 WeakPolarHBondContact OD1-CG2 3.22Å; D27-V45 PolarHBondContact OD1-N 3.26Å
28	E	98	Very high	97.8	Very high	132 Å²	132	53.3 Å²	53.3	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-71.4	-46.9	177.4	-55.4	75	-162.7	0	0	112.4	T26 L30 R31 S32	T26-E28 WeakPolarHBondContact CB-OE2 3.44Å; T26-E28 PolarHBondContact O-N 3.03Å; T26-E28 PolarHBondContact OG1-N 2.77Å; T26-E28 PolarHBondContact OG1-OE2 2.93Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-R31 PolarHBondContact O-N 2.76Å; E28-S32 VanDerWaalsContact O-CB 3.27Å; E28-S32 WeakPolarHBondContact O-CB 3.34Å; E28-S32 PolarHBondContact O-N 3.38Å
29	S	97.8	Very high	97.8	Very high	28 Å²	28	57.8 Å²	57.8	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-38.5	178.9	69.3	0	0	0	0	111.3	T26 H33 D80	T26-S29 PolarHBondContact N-OG 3.49Å; T26-S29 PolarHBondContact O-N 3.25Å; T26-S29 PolarHBondContact O-OG 2.97Å; T26-S29 PolarHBondContact OG1-N 3.31Å; S29-H33 PolarHBondContact O-N 3.03Å; S29-H33 VanDerWaalsContact O-N 3.11Å; S29-D80 WeakPolarHBondContact CB-OD1 3.41Å; S29-D80 WeakPolarHBondContact CB-OD2 3.39Å; S29-D80 PolarHBondContact OG-OD2 2.69Å
30	L	98.5	Very high	97.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-47.9	173.7	-174.5	65.1	0	0	0	111.4	I18 L21 T25 T26 E28 H33 F34 V45 V60 V79	I18-L30 HydrophobicContact CG1-CD1 4.43Å; I18-L30 HydrophobicContact CG2-CD1 4.25Å; L21-L30 HydrophobicContact CD1-CD1 4.39Å; L21-L30 HydrophobicContact CD1-CD2 4.17Å; L21-L30 HydrophobicContact CD2-CD1 3.81Å; T25-L30 HydrophobicContact CG2-CB 4.07Å; T26-L30 VanDerWaalsContact O-CB 3.26Å; T26-L30 WeakPolarHBondContact O-CB 3.5Å; T26-L30 PolarHBondContact O-N 3.36Å; E28-L30 VanDerWaalsContact C-N 3.34Å; L30-H33 PolarHBondContact O-N 3.16Å; L30-F34 HydrophobicContact CD1-CD2 3.61Å; L30-F34 HydrophobicContact CD1-CE2 3.53Å; L30-F34 HydrophobicContact CG-CD2 4.2Å; L30-F34 WeakPolarHBondContact O-CD2 3.13Å; L30-F34 PolarHBondContact O-N 3.36Å; L30-F34 VanDerWaalsContact O-N 3.09Å; L30-V45 HydrophobicContact CB-CG2 4.3Å; L30-V45 HydrophobicContact CD2-CG2 3.97Å; L30-V60 HydrophobicContact CD1-CG1 4.49Å; L30-V60 HydrophobicContact CD2-CG1 3.98Å; L30-V60 HydrophobicContact CG-CG1 3.91Å; L30-V79 HydrophobicContact CD1-CG1 4.47Å
31	R	98.5	Very high	97.8	Very high	75 Å²	75	60 Å²	60	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-52.7	177.3	173.2	177	-68.5	-83.6	0.8	111.1	D27 E28 H33 F34 E35 L40 C43	D27-R31 WeakPolarHBondContact O-CB 3.29Å; D27-R31 PolarHBondContact O-N 2.73Å; E28-R31 PolarHBondContact O-N 2.76Å; R31-H33 PolarHBondContact O-N 2.84Å; R31-F34 PolarHBondContact O-N 3.26Å; R31-F34 VanDerWaalsContact O-N 3.15Å; R31-E35 VanDerWaalsContact CD-OE1 3.29Å; R31-E35 WeakPolarHBondContact CD-OE1 3.28Å; R31-E35 HydrophobicContact CG-CG 3.93Å; R31-E35 WeakPolarHBondContact CG-OE1 3.42Å; R31-E35 IonicContact CZ-OE1 2.86Å; R31-E35 IonicContact NH1-OE1 2.9Å; R31-E35 PolarHBondContact NH1-OE1 2.91Å; R31-E35 WeakPolarHBondContact O-CB 3.44Å; R31-E35 WeakPolarHBondContact O-CG 3.22Å; R31-E35 PolarHBondContact O-N 3.46Å; R31-L40 HydrophobicContact CB-CD1 4.35Å; R31-L40 HydrophobicContact CG-CD1 4.18Å; R31-L40 PolarHBondContact NH1-O 3.33Å; R31-C43 HydrophobicContact CB-CB 4.1Å
32	S	98.1	Very high	97.8	Very high	85 Å²	85	62.9 Å²	62.9	59%	0.594	32%	0.324	S	S	*	.	H	α-helix	trans	-56.6	-34.9	-179	-178.7	0	0	0	0	112.2	E28	E28-S32 VanDerWaalsContact O-CB 3.27Å; E28-S32 WeakPolarHBondContact O-CB 3.34Å; E28-S32 PolarHBondContact O-N 3.38Å
33	H	98.5	Very high	97.8	Very high	33 Å²	33	62.3 Å²	62.3	15%	0.153	32%	0.32	C	S	.	.	H	α-helix	trans	-70.7	-53	175.8	-175	78.9	0	0	0	111.7	S29 L30 R31 E35 Q36 W37 H77 K78 V79	S29-H33 PolarHBondContact O-N 3.03Å; S29-H33 VanDerWaalsContact O-N 3.11Å; L30-H33 PolarHBondContact O-N 3.16Å; R31-H33 PolarHBondContact O-N 2.84Å; H33-E35 PolarHBondContact O-N 3.21Å; H33-Q36 PolarHBondContact ND1-NE2 2.84Å; H33-Q36 WeakPolarHBondContact O-CB 3.5Å; H33-Q36 WeakPolarHBondContact O-CG 3.43Å; H33-Q36 PolarHBondContact O-N 2.79Å; H33-Q36 PolarHBondContact O-NE2 3.47Å; H33-W37 AromaticContact CD2-CZ3 3.69Å; H33-W37 AromaticContact CE1-CH2 3.9Å; H33-W37 AromaticContact NE2-CH2 3.53Å; H33-W37 AromaticContact NE2-CZ3 3.63Å; H33-W37 WeakPolarHBondContact O-CZ3 3.26Å; H33-H77 AromaticContact NE2-CG 3.82Å; H33-H77 AromaticContact NE2-ND1 3.34Å; H33-H77 PolarHBondContact NE2-ND1 3.43Å; H33-K78 PolarHBondContact CE1-O 3.28Å; H33-K78 PolarHBondContact ND1-O 2.84Å; H33-V79 HydrophobicContact CB-CG2 4.14Å; H33-V79 VanDerWaalsContact CD2-CG2 3.49Å; H33-V79 WeakPolarHBondContact CD2-CG2 3.33Å
34	F	98.6	Very high	97.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-77.4	-18.9	-172.3	-80.8	-76.1	0	0	0	114.1	I18 L30 R31 Q36 W37 L40 V60 Y62 H77 V79 V84	I18-F34 HydrophobicContact CD1-CE1 3.93Å; I18-F34 HydrophobicContact CD1-CE2 3.85Å; I18-F34 HydrophobicContact CD1-CZ 3.47Å; I18-F34 VanDerWaalsContact CD1-CZ 3.47Å; I18-F34 HydrophobicContact CG1-CE2 3.92Å; I18-F34 HydrophobicContact CG1-CZ 4.06Å; I18-F34 HydrophobicContact CG2-CE2 3.98Å; I18-F34 HydrophobicContact CG2-CZ 4.11Å; L30-F34 HydrophobicContact CD1-CD2 3.61Å; L30-F34 HydrophobicContact CD1-CE2 3.53Å; L30-F34 HydrophobicContact CG-CD2 4.2Å; L30-F34 WeakPolarHBondContact O-CD2 3.13Å; L30-F34 PolarHBondContact O-N 3.36Å; L30-F34 VanDerWaalsContact O-N 3.09Å; R31-F34 PolarHBondContact O-N 3.26Å; R31-F34 VanDerWaalsContact O-N 3.15Å; F34-Q36 PolarHBondContact O-N 2.74Å; F34-Q36 VanDerWaalsContact O-N 3.14Å; F34-W37 HydrophobicContact CD1-CE3 4.16Å; F34-W37 HydrophobicContact CD1-CZ3 4.2Å; F34-W37 PolarHBondContact O-N 2.99Å; F34-L40 HydrophobicContact CB-CD1 3.92Å; F34-V60 HydrophobicContact CB-CG1 4.17Å; F34-V60 HydrophobicContact CB-CG2 4.41Å; F34-V60 HydrophobicContact CD1-CG2 4.31Å; F34-V60 HydrophobicContact CD2-CG1 3.96Å; F34-V60 HydrophobicContact CG-CG1 4.16Å; F34-V60 HydrophobicContact CG-CG2 4.15Å; F34-Y62 WeakPolarHBondContact CB-OH 3.4Å; F34-Y62 WeakPolarHBondContact CD1-OH 3.39Å; F34-Y62 WeakPolarHBondContact O-CE1 3.27Å; F34-Y62 PolarHBondContact O-OH 3.13Å; F34-H77 AromaticContact CE1-ND1 3.88Å; F34-H77 HydrophobicContact CZ-CB 4.44Å; F34-V79 HydrophobicContact CE2-CG2 4.1Å; F34-V84 HydrophobicContact CZ-CG2 4.33Å
35	E	98	Very high	98	Very high	88 Å²	88	50.1 Å²	50.1	41%	0.411	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-64.8	-12.3	172	-78.8	179.5	171.3	0	0	113.4	R31 H33 W37 G38 L40	R31-E35 VanDerWaalsContact CD-OE1 3.29Å; R31-E35 WeakPolarHBondContact CD-OE1 3.28Å; R31-E35 HydrophobicContact CG-CG 3.93Å; R31-E35 WeakPolarHBondContact CG-OE1 3.42Å; R31-E35 IonicContact CZ-OE1 2.86Å; R31-E35 IonicContact NH1-OE1 2.9Å; R31-E35 PolarHBondContact NH1-OE1 2.91Å; R31-E35 WeakPolarHBondContact O-CB 3.44Å; R31-E35 WeakPolarHBondContact O-CG 3.22Å; R31-E35 PolarHBondContact O-N 3.46Å; H33-E35 PolarHBondContact O-N 3.21Å; E35-W37 PolarHBondContact O-N 3.02Å; E35-G38 VanDerWaalsContact CA-O 3.31Å; E35-G38 WeakPolarHBondContact CA-O 3.49Å; E35-G38 PolarHBondContact O-N 2.99Å; E35-L40 HydrophobicContact CG-CB 4.06Å; E35-L40 HydrophobicContact CG-CD1 3.94Å; E35-L40 HydrophobicContact CG-CG 3.77Å
36	Q	98.2	Very high	98	Very high	134 Å²	134	52.9 Å²	52.9	63%	0.626	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-61.3	-22.8	172.4	-70.6	173.9	77.5	0	0	113.8	H33 F34	H33-Q36 PolarHBondContact ND1-NE2 2.84Å; H33-Q36 WeakPolarHBondContact O-CB 3.5Å; H33-Q36 WeakPolarHBondContact O-CG 3.43Å; H33-Q36 PolarHBondContact O-N 2.79Å; H33-Q36 PolarHBondContact O-NE2 3.47Å; F34-Q36 PolarHBondContact O-N 2.74Å; F34-Q36 VanDerWaalsContact O-N 3.14Å
37	W	98.3	Very high	98	Very high	63 Å²	63	54.8 Å²	54.8	24%	0.239	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-110.7	-0.4	-177.3	-62.4	-80.3	0	0	0	114.1	H33 F34 E35 A70 A71 A74 H77	H33-W37 AromaticContact CD2-CZ3 3.69Å; H33-W37 AromaticContact CE1-CH2 3.9Å; H33-W37 AromaticContact NE2-CH2 3.53Å; H33-W37 AromaticContact NE2-CZ3 3.63Å; H33-W37 WeakPolarHBondContact O-CZ3 3.26Å; F34-W37 HydrophobicContact CD1-CE3 4.16Å; F34-W37 HydrophobicContact CD1-CZ3 4.2Å; F34-W37 PolarHBondContact O-N 2.99Å; E35-W37 PolarHBondContact O-N 3.02Å; W37-A70 HydrophobicContact CB-CB 4.36Å; W37-A71 HydrophobicContact CB-CB 4.02Å; W37-A71 HydrophobicContact CD2-CB 4.43Å; W37-A71 HydrophobicContact CG-CB 4.2Å; W37-A74 HydrophobicContact CD2-CB 4.46Å; W37-A74 VanDerWaalsContact CE2-CB 3.49Å; W37-A74 HydrophobicContact CZ2-CB 3.76Å; W37-H77 AromaticContact CE2-CE1 3.83Å; W37-H77 AromaticContact CE3-CE1 3.8Å; W37-H77 AromaticContact CH2-CE1 3.33Å; W37-H77 WeakPolarHBondContact CH2-CE1 3.46Å; W37-H77 AromaticContact CH2-ND1 3.06Å; W37-H77 WeakPolarHBondContact CH2-ND1 3.48Å; W37-H77 AromaticContact CZ2-CE1 3.49Å; W37-H77 VanDerWaalsContact CZ2-CE1 3.49Å; W37-H77 WeakPolarHBondContact CZ2-CE1 3.49Å; W37-H77 AromaticContact CZ2-ND1 3.66Å; W37-H77 AromaticContact CZ3-CE1 3.46Å; W37-H77 VanDerWaalsContact CZ3-CE1 3.46Å; W37-H77 WeakPolarHBondContact CZ3-CE1 3.35Å; W37-H77 AromaticContact CZ3-ND1 3.29Å; W37-H77 VanDerWaalsContact CZ3-ND1 3.29Å; W37-H77 WeakPolarHBondContact CZ3-ND1 3.3Å
38	G	97.6	Very high	97.9	Very high	15 Å²	15	54.9 Å²	54.9	16%	0.155	28%	0.284	C	S	.	.	S	Bend	trans	159.4	178.4	-178.4	0	0	0	0	0	114.2	E35 E67	E35-G38 VanDerWaalsContact CA-O 3.31Å; E35-G38 WeakPolarHBondContact CA-O 3.49Å; E35-G38 PolarHBondContact O-N 2.99Å; G38-E67 WeakPolarHBondContact CA-OE1 3.37Å
39	T	97.8	Very high	97.8	Very high	93 Å²	93	53 Å²	53	57%	0.571	28%	0.283	S	S	*	.			trans	-83.6	119.1	-177.5	-55.7	0	0	0	0	111	T41 Y62 A63 E67	T39-T41 PolarHBondContact O-N 2.87Å; T39-Y62 CarbonylContact O-C 3.52Å; T39-Y62 WeakPolarHBondContact O-CA 3.2Å; T39-A63 PolarHBondContact O-N 2.89Å; T39-E67 PolarHBondContact N-OE1 2.83Å
40	L	97.9	Very high	97.8	Very high	9 Å²	9	58.6 Å²	58.6	5%	0.047	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	113.9	176	-66.7	-173.2	0	0	0	112.3	R31 F34 E35 C43 V60 T61 Y62	R31-L40 HydrophobicContact CB-CD1 4.35Å; R31-L40 HydrophobicContact CG-CD1 4.18Å; R31-L40 PolarHBondContact NH1-O 3.33Å; F34-L40 HydrophobicContact CB-CD1 3.92Å; E35-L40 HydrophobicContact CG-CB 4.06Å; E35-L40 HydrophobicContact CG-CD1 3.94Å; E35-L40 HydrophobicContact CG-CG 3.77Å; L40-C43 HydrophobicContact CD1-CB 4.2Å; L40-V60 HydrophobicContact CD1-CB 4.15Å; L40-V60 HydrophobicContact CD1-CG1 4.12Å; L40-V60 HydrophobicContact CD2-CB 3.88Å; L40-V60 HydrophobicContact CD2-CG2 4.46Å; L40-T61 CarbonylContact C-O 3.54Å; L40-T61 WeakPolarHBondContact CA-O 3.48Å; L40-Y62 HydrophobicContact CD2-CD1 3.54Å; L40-Y62 HydrophobicContact CD2-CD2 4.09Å; L40-Y62 HydrophobicContact CD2-CE1 3.47Å; L40-Y62 VanDerWaalsContact CD2-CE1 3.47Å; L40-Y62 HydrophobicContact CD2-CE2 4.07Å; L40-Y62 HydrophobicContact CD2-CG 3.86Å; L40-Y62 HydrophobicContact CG-CE1 4.31Å
41	T	97.4	Very high	97.6	Very high	77 Å²	77	63.2 Å²	63.2	47%	0.472	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-27.1	171.4	60.3	0	0	0	0	113.1	T39 T61 Y62 A63	T39-T41 PolarHBondContact O-N 2.87Å; T41-T61 PolarHBondContact N-O 3.11Å; T41-T61 WeakPolarHBondContact OG1-CG2 3.33Å; T41-T61 PolarHBondContact OG1-O 3.25Å; T41-Y62 PolarHBondContact OG1-O 3.21Å; T41-A63 HydrophobicContact CG2-CB 4.11Å
42	D	97.6	Very high	97.4	Very high	65 Å²	65	66.3 Å²	66.3	35%	0.348	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	148.2	175.4	-172.9	24.5	0	0	0	110	T61	D42-T61 PolarHBondContact N-O 3.09Å; D42-T61 PolarHBondContact O-N 3.1Å
43	C	98.1	Very high	97.2	Very high	10 Å²	10	70.6 Å²	70.6	7%	0.068	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	125.6	177.4	-177.6	0	0	0	0	109.1	D27 R31 L40 F59	D27-C43 PolarHBondContact O-SG 3.13Å; D27-C43 VanDerWaalsContact O-SG 3.35Å; R31-C43 HydrophobicContact CB-CB 4.1Å; L40-C43 HydrophobicContact CD1-CB 4.2Å; C43-F59 WeakPolarHBondContact CA-O 3.2Å
44	V	98.2	Very high	97.1	Very high	41 Å²	41	69.2 Å²	69.2	25%	0.248	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	131.5	-177	60.8	0	0	0	0	111.9	M46 G58 F59	V44-M46 HydrophobicContact CG1-SD 4.27Å; V44-M46 HydrophobicContact CG2-SD 4.19Å; V44-G58 CarbonylContact O-C 3.5Å; V44-G58 WeakPolarHBondContact O-CA 3.26Å; V44-F59 HydrophobicContact CG1-CB 4.13Å; V44-F59 HydrophobicContact CG1-CD2 4.41Å; V44-F59 PolarHBondContact N-O 3.19Å; V44-F59 PolarHBondContact O-N 3.28Å
45	V	98.5	Very high	97.1	Very high	5 Å²	5	75.8 Å²	75.8	3%	0.03	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	124.2	165.3	179.5	0	0	0	0	108.8	L21 T25 T26 D27 L30 R47	L21-V45 HydrophobicContact CD1-CG1 4.25Å; L21-V45 HydrophobicContact CD1-CG2 4.11Å; T25-V45 HydrophobicContact CG2-CG2 4.13Å; T26-V45 WeakPolarHBondContact O-CG2 3.34Å; D27-V45 WeakPolarHBondContact OD1-CA 3.47Å; D27-V45 WeakPolarHBondContact OD1-CB 3.21Å; D27-V45 WeakPolarHBondContact OD1-CG2 3.22Å; D27-V45 PolarHBondContact OD1-N 3.26Å; L30-V45 HydrophobicContact CB-CG2 4.3Å; L30-V45 HydrophobicContact CD2-CG2 3.97Å; V45-R47 PolarHBondContact O-N 3.37Å
46	M	97.7	Very high	97.1	Very high	57 Å²	57	72.1 Å²	72.1	28%	0.281	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	123.3	-179	-62.8	-55.8	-59.8	0	0	110.1	V44 R55 F57 F59	V44-M46 HydrophobicContact CG1-SD 4.27Å; V44-M46 HydrophobicContact CG2-SD 4.19Å; M46-R55 VanDerWaalsContact O-CB 3.3Å; M46-R55 WeakPolarHBondContact O-CB 3.49Å; M46-R55 PolarHBondContact O-N 3.36Å; M46-F57 HydrophobicContact CB-CD1 4.38Å; M46-F57 HydrophobicContact CB-CD2 4.02Å; M46-F57 HydrophobicContact CB-CE1 4Å; M46-F57 HydrophobicContact CB-CE2 3.65Å; M46-F57 HydrophobicContact CB-CG 4.39Å; M46-F57 HydrophobicContact CB-CZ 3.61Å; M46-F57 WeakPolarHBondContact CB-O 3.49Å; M46-F57 HydrophobicContact CG-CD2 3.78Å; M46-F57 HydrophobicContact CG-CE2 3.35Å; M46-F57 HydrophobicContact CG-CZ 3.81Å; M46-F57 PolarHBondContact N-O 2.94Å; M46-F59 HydrophobicContact CG-CD2 4.14Å; M46-F59 HydrophobicContact CG-CE2 4.02Å; M46-F59 HydrophobicContact SD-CD2 4.27Å; M46-F59 HydrophobicContact SD-CE2 4.34Å
47	R	97.8	Very high	97	Very high	90 Å²	90	67.7 Å²	67.7	34%	0.34	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	153	-178.5	-66.7	171.9	-174	-77.3	-9.4	111.1	T25 V45 K52 R53	T25-R47 PolarHBondContact O-NH2 3.17Å; T25-R47 VanDerWaalsContact O-NH2 3.11Å; V45-R47 PolarHBondContact O-N 3.37Å; R47-K52 WeakPolarHBondContact CD-O 3.26Å; R47-K52 PolarHBondContact NH1-O 3.28Å; R47-R53 CarbonylContact C-O 3.58Å; R47-R53 VanDerWaalsContact CA-O 3.26Å; R47-R53 WeakPolarHBondContact CA-O 3.4Å
48	D	95.6	Very high	97	Very high	53 Å²	53	64.7 Å²	64.7	28%	0.283	33%	0.33	S	S	.	.			trans	-65.4	128.9	169.6	177.2	-95	0	0	0	109.4	N50 T51 K52 R53	D48-N50 PolarHBondContact O-N 2.88Å; D48-N50 WeakPolarHBondContact OD1-CA 3.3Å; D48-N50 WeakPolarHBondContact OD1-CB 3.34Å; D48-N50 PolarHBondContact OD1-N 3.48Å; D48-T51 VanDerWaalsContact CB-OG1 3.3Å; D48-T51 WeakPolarHBondContact CB-OG1 3.35Å; D48-T51 PolarHBondContact OD1-N 2.77Å; D48-T51 PolarHBondContact OD1-OG1 2.9Å; D48-K52 VanDerWaalsContact O-CA 3.26Å; D48-K52 WeakPolarHBondContact O-CA 3.41Å; D48-K52 PolarHBondContact O-N 3.37Å; D48-R53 PolarHBondContact N-O 3.25Å
49	P	95.7	Very high	97.1	Very high	92 Å²	92	66.3 Å²	66.3	60%	0.597	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.7	-174.9	-26.2	34.9	0	0	0	114.1	K52	P49-K52 WeakPolarHBondContact O-CE 3.11Å; P49-K52 PolarHBondContact O-NZ 3.25Å
50	N	96.3	Very high	97.1	Very high	146 Å²	146	61.9 Å²	61.9	78%	0.781	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-52.9	-173.5	-58.4	-44	0	0	0	111.5	D48	D48-N50 PolarHBondContact O-N 2.88Å; D48-N50 WeakPolarHBondContact OD1-CA 3.3Å; D48-N50 WeakPolarHBondContact OD1-CB 3.34Å; D48-N50 PolarHBondContact OD1-N 3.48Å
51	T	95.6	Very high	97.1	Very high	97 Å²	97	61.5 Å²	61.5	60%	0.595	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-13	-174.4	62.8	0	0	0	0	113.6	D48 R53	D48-T51 VanDerWaalsContact CB-OG1 3.3Å; D48-T51 WeakPolarHBondContact CB-OG1 3.35Å; D48-T51 PolarHBondContact OD1-N 2.77Å; D48-T51 PolarHBondContact OD1-OG1 2.9Å; T51-R53 PolarHBondContact O-N 3.24Å; T51-R53 PolarHBondContact OG1-N 2.87Å
52	K	93.9	Very high	97.2	Very high	140 Å²	140	57.8 Å²	57.8	61%	0.609	28%	0.281	S	S	*	.			trans	57.9	8	-172.3	-51.9	-54	-173.2	-166.4	0	114.8	R47 D48 P49	R47-K52 WeakPolarHBondContact CD-O 3.26Å; R47-K52 PolarHBondContact NH1-O 3.28Å; D48-K52 VanDerWaalsContact O-CA 3.26Å; D48-K52 WeakPolarHBondContact O-CA 3.41Å; D48-K52 PolarHBondContact O-N 3.37Å; P49-K52 WeakPolarHBondContact O-CE 3.11Å; P49-K52 PolarHBondContact O-NZ 3.25Å
53	R	94.7	Very high	97.1	Very high	174 Å²	174	56.5 Å²	56.5	66%	0.657	28%	0.279	S	S	*	.			trans	-69.6	140.2	175.9	-174.2	-178.9	-85.7	-165.8	-5.2	109.8	R47 D48 T51	R47-R53 CarbonylContact C-O 3.58Å; R47-R53 VanDerWaalsContact CA-O 3.26Å; R47-R53 WeakPolarHBondContact CA-O 3.4Å; D48-R53 PolarHBondContact N-O 3.25Å; T51-R53 PolarHBondContact O-N 3.24Å; T51-R53 PolarHBondContact OG1-N 2.87Å
54	S	96.6	Very high	97	Very high	5 Å²	5	58.3 Å²	58.3	4%	0.035	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	139	171.4	172	0	0	0	0	110.8	F23 G56	F23-S54 WeakPolarHBondContact CD1-O 3.22Å; F23-S54 WeakPolarHBondContact O-CB 3.16Å; S54-G56 VanDerWaalsContact C-N 3.25Å; S54-G56 PolarHBondContact OG-N 2.79Å; S54-G56 VanDerWaalsContact OG-N 3.09Å
55	R	97.4	Very high	96.9	Very high	137 Å²	137	57.6 Å²	57.6	52%	0.517	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	5	174.1	-62.9	171.6	61.6	-168.8	-3.7	112	M46 F57	M46-R55 VanDerWaalsContact O-CB 3.3Å; M46-R55 WeakPolarHBondContact O-CB 3.49Å; M46-R55 PolarHBondContact O-N 3.36Å; R55-F57 VanDerWaalsContact C-N 3.32Å; R55-F57 HydrophobicContact CB-CD1 3.77Å; R55-F57 HydrophobicContact CB-CE1 3.53Å; R55-F57 HydrophobicContact CG-CE1 4.45Å
56	G	97.5	Very high	96.8	Very high	12 Å²	12	64.7 Å²	64.7	12%	0.124	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.1	18.4	179.4	0	0	0	0	0	114.2	G20 L21 S54	G20-G56 PolarHBondContact N-O 2.99Å; L21-G56 PolarHBondContact N-O 3.29Å; S54-G56 VanDerWaalsContact C-N 3.25Å; S54-G56 PolarHBondContact OG-N 2.79Å; S54-G56 VanDerWaalsContact OG-N 3.09Å
57	F	97.9	Very high	96.8	Very high	40 Å²	40	63.6 Å²	63.6	18%	0.175	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	160.7	172.9	74.1	-83.7	0	0	0	111.7	F17 I18 L21 M46 R55 F59	F17-F57 HydrophobicContact CD2-CD2 4.12Å; F17-F57 HydrophobicContact CE2-CB 3.75Å; F17-F57 AromaticContact CE2-CD2 3.47Å; F17-F57 HydrophobicContact CE2-CD2 3.47Å; F17-F57 VanDerWaalsContact CE2-CD2 3.47Å; F17-F57 HydrophobicContact CE2-CE2 4.27Å; F17-F57 AromaticContact CE2-CG 3.84Å; F17-F57 HydrophobicContact CE2-CG 3.84Å; F17-F57 HydrophobicContact CZ-CB 3.87Å; F17-F57 HydrophobicContact CZ-CD2 4.39Å; F17-F57 HydrophobicContact CZ-CG 4.33Å; I18-F57 CarbonylContact O-C 3.57Å; I18-F57 WeakPolarHBondContact O-CA 3.19Å; I18-F57 WeakPolarHBondContact O-CB 3.27Å; L21-F57 VanDerWaalsContact CD1-C 3.49Å; M46-F57 HydrophobicContact CB-CD1 4.38Å; M46-F57 HydrophobicContact CB-CD2 4.02Å; M46-F57 HydrophobicContact CB-CE1 4Å; M46-F57 HydrophobicContact CB-CE2 3.65Å; M46-F57 HydrophobicContact CB-CG 4.39Å; M46-F57 HydrophobicContact CB-CZ 3.61Å; M46-F57 WeakPolarHBondContact CB-O 3.49Å; M46-F57 HydrophobicContact CG-CD2 3.78Å; M46-F57 HydrophobicContact CG-CE2 3.35Å; M46-F57 HydrophobicContact CG-CZ 3.81Å; M46-F57 PolarHBondContact N-O 2.94Å; R55-F57 VanDerWaalsContact C-N 3.32Å; R55-F57 HydrophobicContact CB-CD1 3.77Å; R55-F57 HydrophobicContact CB-CE1 3.53Å; R55-F57 HydrophobicContact CG-CE1 4.45Å; F57-F59 HydrophobicContact CD2-CE2 4.21Å; F57-F59 AromaticContact CE2-CE2 3.95Å; F57-F59 HydrophobicContact CE2-CE2 3.95Å; F57-F59 HydrophobicContact CE2-CZ 4.4Å
58	G	98.1	Very high	96.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	-175.5	179.7	0	0	0	0	0	112.2	I18 V44	I18-G58 PolarHBondContact N-O 3.39Å; I18-G58 PolarHBondContact O-N 2.94Å; V44-G58 CarbonylContact O-C 3.5Å; V44-G58 WeakPolarHBondContact O-CA 3.26Å
59	F	98.4	Very high	96.9	Very high	49 Å²	49	58.9 Å²	58.9	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.4	174.1	-62.5	-88.9	0	0	0	110.4	K15 L16 F17 C43 V44 M46 F57 A89	K15-F59 HydrophobicContact CD-CD1 4.33Å; K15-F59 HydrophobicContact CG-CB 4.45Å; K15-F59 HydrophobicContact CG-CD1 4.27Å; L16-F59 VanDerWaalsContact O-CA 3.24Å; L16-F59 WeakPolarHBondContact O-CA 3.34Å; F17-F59 HydrophobicContact CB-CD1 4.24Å; F17-F59 HydrophobicContact CB-CE1 3.94Å; F17-F59 AromaticContact CD2-CE1 3.87Å; F17-F59 HydrophobicContact CD2-CE1 3.87Å; F17-F59 AromaticContact CD2-CZ 3.94Å; F17-F59 HydrophobicContact CD2-CZ 3.94Å; F17-F59 HydrophobicContact CG-CE1 4.42Å; C43-F59 WeakPolarHBondContact CA-O 3.2Å; V44-F59 HydrophobicContact CG1-CB 4.13Å; V44-F59 HydrophobicContact CG1-CD2 4.41Å; V44-F59 PolarHBondContact N-O 3.19Å; V44-F59 PolarHBondContact O-N 3.28Å; M46-F59 HydrophobicContact CG-CD2 4.14Å; M46-F59 HydrophobicContact CG-CE2 4.02Å; M46-F59 HydrophobicContact SD-CD2 4.27Å; M46-F59 HydrophobicContact SD-CE2 4.34Å; F57-F59 HydrophobicContact CD2-CE2 4.21Å; F57-F59 AromaticContact CE2-CE2 3.95Å; F57-F59 HydrophobicContact CE2-CE2 3.95Å; F57-F59 HydrophobicContact CE2-CZ 4.4Å; F59-A89 HydrophobicContact CD1-CB 4.46Å; F59-A89 HydrophobicContact CE1-CB 4.45Å
60	V	98.5	Very high	97	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.8	168.6	-60.2	0	0	0	0	108.3	K15 L16 I18 L30 F34 L40 Y62	K15-V60 WeakPolarHBondContact CA-O 3.47Å; L16-V60 HydrophobicContact CB-CG2 3.82Å; L16-V60 HydrophobicContact CD1-CG2 4.35Å; L16-V60 HydrophobicContact CG-CG2 4.5Å; L16-V60 PolarHBondContact N-O 3.35Å; L16-V60 PolarHBondContact O-N 3.36Å; L16-V60 VanDerWaalsContact O-N 3.1Å; I18-V60 HydrophobicContact CD1-CG2 3.98Å; I18-V60 HydrophobicContact CG1-CG1 4.3Å; I18-V60 HydrophobicContact CG1-CG2 4.15Å; L30-V60 HydrophobicContact CD1-CG1 4.49Å; L30-V60 HydrophobicContact CD2-CG1 3.98Å; L30-V60 HydrophobicContact CG-CG1 3.91Å; F34-V60 HydrophobicContact CB-CG1 4.17Å; F34-V60 HydrophobicContact CB-CG2 4.41Å; F34-V60 HydrophobicContact CD1-CG2 4.31Å; F34-V60 HydrophobicContact CD2-CG1 3.96Å; F34-V60 HydrophobicContact CG-CG1 4.16Å; F34-V60 HydrophobicContact CG-CG2 4.15Å; L40-V60 HydrophobicContact CD1-CB 4.15Å; L40-V60 HydrophobicContact CD1-CG1 4.12Å; L40-V60 HydrophobicContact CD2-CB 3.88Å; L40-V60 HydrophobicContact CD2-CG2 4.46Å; V60-Y62 HydrophobicContact CG2-CE2 4.17Å
61	T	98.2	Very high	97.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.6	179.4	-52	0	0	0	0	109.2	E11 R14 K15 L40 T41 D42	E11-T61 HydrophobicContact CG-CG2 3.68Å; R14-T61 HydrophobicContact CB-CG2 4.33Å; R14-T61 CarbonylContact O-C 3.44Å; R14-T61 WeakPolarHBondContact O-CA 3.26Å; K15-T61 HydrophobicContact CB-CG2 4.41Å; L40-T61 CarbonylContact C-O 3.54Å; L40-T61 WeakPolarHBondContact CA-O 3.48Å; T41-T61 PolarHBondContact N-O 3.11Å; T41-T61 WeakPolarHBondContact OG1-CG2 3.33Å; T41-T61 PolarHBondContact OG1-O 3.25Å; D42-T61 PolarHBondContact N-O 3.09Å; D42-T61 PolarHBondContact O-N 3.1Å
62	Y	98.4	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	168.8	178.2	-77	-76.1	0	0	0	112.7	R14 L16 F34 T39 L40 T41 V60 E67 V68 A71	R14-Y62 PolarHBondContact NH1-O 2.96Å; R14-Y62 PolarHBondContact O-N 3.08Å; L16-Y62 HydrophobicContact CD1-CE2 4.07Å; F34-Y62 WeakPolarHBondContact CB-OH 3.4Å; F34-Y62 WeakPolarHBondContact CD1-OH 3.39Å; F34-Y62 WeakPolarHBondContact O-CE1 3.27Å; F34-Y62 PolarHBondContact O-OH 3.13Å; T39-Y62 CarbonylContact O-C 3.52Å; T39-Y62 WeakPolarHBondContact O-CA 3.2Å; L40-Y62 HydrophobicContact CD2-CD1 3.54Å; L40-Y62 HydrophobicContact CD2-CD2 4.09Å; L40-Y62 HydrophobicContact CD2-CE1 3.47Å; L40-Y62 VanDerWaalsContact CD2-CE1 3.47Å; L40-Y62 HydrophobicContact CD2-CE2 4.07Å; L40-Y62 HydrophobicContact CD2-CG 3.86Å; L40-Y62 HydrophobicContact CG-CE1 4.31Å; T41-Y62 PolarHBondContact OG1-O 3.21Å; V60-Y62 HydrophobicContact CG2-CE2 4.17Å; Y62-E67 HydrophobicContact CD1-CB 3.57Å; Y62-E67 HydrophobicContact CD1-CG 4.44Å; Y62-E67 HydrophobicContact CE1-CB 4.3Å; Y62-E67 HydrophobicContact CG-CB 3.75Å; Y62-V68 HydrophobicContact CD2-CB 4.46Å; Y62-V68 HydrophobicContact CD2-CG2 3.87Å; Y62-V68 HydrophobicContact CG-CG2 4.36Å; Y62-A71 HydrophobicContact CE2-CB 3.81Å; Y62-A71 WeakPolarHBondContact OH-CB 3.05Å
63	A	96.8	Very high	97.3	Very high	37 Å²	37	43.9 Å²	43.9	31%	0.306	22%	0.218	S	C	.	.	S	Bend	trans	-77.6	-30.5	176.2	0	0	0	0	0	112	R14 T39 T41 E67	R14-A63 VanDerWaalsContact CD-C 3.49Å; R14-A63 WeakPolarHBondContact CD-O 3.45Å; T39-A63 PolarHBondContact O-N 2.89Å; T41-A63 HydrophobicContact CG2-CB 4.11Å; A63-E67 WeakPolarHBondContact CA-OE2 3.36Å; A63-E67 WeakPolarHBondContact CB-OE2 3.4Å; A63-E67 PolarHBondContact N-OE2 3.36Å
64	T	96.2	Very high	97.5	Very high	48 Å²	48	37.3 Å²	37.3	29%	0.294	20%	0.201	S	C	.	.	S	Bend	trans	-134.3	161	177.3	69.4	0	0	0	0	112.6	E9 E66 E67	E9-T64 WeakPolarHBondContact OE2-CA 3.48Å; T64-E66 VanDerWaalsContact C-N 3.28Å; T64-E67 PolarHBondContact N-OE2 2.82Å; T64-E67 VanDerWaalsContact N-OE2 3.09Å; T64-E67 PolarHBondContact O-N 3.04Å; T64-E67 WeakPolarHBondContact OG1-CG 3.5Å; T64-E67 PolarHBondContact OG1-N 2.89Å
65	V	95.6	Very high	97.6	Very high	27 Å²	27	40 Å²	40	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-32	173.1	173.2	0	0	0	0	111.3	E9 L13 R14 E67 V68 D69	E9-V65 HydrophobicContact CB-CG2 4.22Å; E9-V65 VanDerWaalsContact CD-CG2 3.49Å; E9-V65 HydrophobicContact CG-CG2 4.39Å; E9-V65 WeakPolarHBondContact OE2-CG2 3.43Å; E9-V65 PolarHBondContact OE2-N 2.84Å; L13-V65 HydrophobicContact CB-CG2 3.68Å; R14-V65 HydrophobicContact CG-CG2 3.79Å; V65-E67 VanDerWaalsContact C-N 3.31Å; V65-E67 PolarHBondContact O-N 2.86Å; V65-V68 WeakPolarHBondContact O-CA 3.47Å; V65-V68 VanDerWaalsContact O-CB 3.23Å; V65-V68 WeakPolarHBondContact O-CB 3.39Å; V65-V68 PolarHBondContact O-N 3.13Å; V65-D69 PolarHBondContact O-N 3.46Å
66	E	96.3	Very high	97.6	Very high	154 Å²	154	38.7 Å²	38.7	72%	0.72	22%	0.22	S	C	*	.	H	α-helix	trans	-59.7	-39.9	176.7	-63.1	175.6	177.9	0	0	112.2	T64 V68 D69 A70	T64-E66 VanDerWaalsContact C-N 3.28Å; E66-V68 VanDerWaalsContact C-N 3.31Å; E66-V68 PolarHBondContact O-N 2.66Å; E66-D69 PolarHBondContact O-N 2.85Å; E66-A70 PolarHBondContact O-N 3.34Å
67	E	97.9	Very high	97.6	Very high	34 Å²	34	38.3 Å²	38.3	16%	0.159	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-33.6	174.7	-67.9	173.1	144.8	0	0	111.7	G38 T39 Y62 A63 T64 V65 A70 A71	G38-E67 WeakPolarHBondContact CA-OE1 3.37Å; T39-E67 PolarHBondContact N-OE1 2.83Å; Y62-E67 HydrophobicContact CD1-CB 3.57Å; Y62-E67 HydrophobicContact CD1-CG 4.44Å; Y62-E67 HydrophobicContact CE1-CB 4.3Å; Y62-E67 HydrophobicContact CG-CB 3.75Å; A63-E67 WeakPolarHBondContact CA-OE2 3.36Å; A63-E67 WeakPolarHBondContact CB-OE2 3.4Å; A63-E67 PolarHBondContact N-OE2 3.36Å; T64-E67 PolarHBondContact N-OE2 2.82Å; T64-E67 VanDerWaalsContact N-OE2 3.09Å; T64-E67 PolarHBondContact O-N 3.04Å; T64-E67 WeakPolarHBondContact OG1-CG 3.5Å; T64-E67 PolarHBondContact OG1-N 2.89Å; V65-E67 VanDerWaalsContact C-N 3.31Å; V65-E67 PolarHBondContact O-N 2.86Å; E67-A70 PolarHBondContact O-N 2.84Å; E67-A71 PolarHBondContact O-N 3.02Å
68	V	97.6	Very high	97.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-46.8	171.1	-174.3	0	0	0	0	110.9	R14 L16 Y62 V65 E66 A70 A71 M72	R14-V68 HydrophobicContact CB-CG2 4.45Å; R14-V68 WeakPolarHBondContact O-CG2 3.43Å; L16-V68 HydrophobicContact CD1-CG1 4.06Å; L16-V68 HydrophobicContact CD2-CG1 3.41Å; L16-V68 VanDerWaalsContact CD2-CG1 3.41Å; L16-V68 HydrophobicContact CG-CG1 3.68Å; Y62-V68 HydrophobicContact CD2-CB 4.46Å; Y62-V68 HydrophobicContact CD2-CG2 3.87Å; Y62-V68 HydrophobicContact CG-CG2 4.36Å; V65-V68 WeakPolarHBondContact O-CA 3.47Å; V65-V68 VanDerWaalsContact O-CB 3.23Å; V65-V68 WeakPolarHBondContact O-CB 3.39Å; V65-V68 PolarHBondContact O-N 3.13Å; E66-V68 VanDerWaalsContact C-N 3.31Å; E66-V68 PolarHBondContact O-N 2.66Å; V68-A70 VanDerWaalsContact C-N 3.31Å; V68-A70 PolarHBondContact O-N 2.77Å; V68-A71 PolarHBondContact O-N 2.64Å; V68-M72 HydrophobicContact CG1-CG 4.24Å; V68-M72 WeakPolarHBondContact O-CB 3.34Å; V68-M72 WeakPolarHBondContact O-CG 3.27Å; V68-M72 PolarHBondContact O-N 3.04Å
69	D	96.9	Very high	97.6	Very high	43 Å²	43	42.8 Å²	42.8	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-41.8	177	-75.2	-47.9	0	0	0	111.1	V65 E66 A71 M72 N73 R88 K161	V65-D69 PolarHBondContact O-N 3.46Å; E66-D69 PolarHBondContact O-N 2.85Å; D69-A71 PolarHBondContact O-N 3.16Å; D69-M72 PolarHBondContact O-N 2.73Å; D69-N73 VanDerWaalsContact O-CB 3.31Å; D69-N73 WeakPolarHBondContact O-CB 3.25Å; D69-N73 PolarHBondContact O-N 3.09Å; D69-N73 PolarHBondContact O-ND2 2.94Å; D69-N73 VanDerWaalsContact O-ND2 3.13Å; D69-R88 IonicContact OD1-CZ 3.87Å; D69-R88 IonicContact OD1-NH1 3.68Å; D69-R88 IonicContact OD1-NH2 2.77Å; D69-R88 PolarHBondContact OD1-NH2 3.06Å; D69-K161 IonicContact OD1-NZ 2.93Å; D69-K161 PolarHBondContact OD1-NZ 3.44Å
70	A	97.9	Very high	97.6	Very high	41 Å²	41	44.1 Å²	44.1	34%	0.339	24%	0.244	S	C	.	.	H	α-helix	trans	-59.8	-46	175.6	0	0	0	0	0	112	W37 E66 E67 V68 N73 A74	W37-A70 HydrophobicContact CB-CB 4.36Å; E66-A70 PolarHBondContact O-N 3.34Å; E67-A70 PolarHBondContact O-N 2.84Å; V68-A70 VanDerWaalsContact C-N 3.31Å; V68-A70 PolarHBondContact O-N 2.77Å; A70-N73 PolarHBondContact O-N 3.14Å; A70-A74 PolarHBondContact O-N 3.19Å
71	A	98.4	Very high	97.5	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-49.9	174.5	0	0	0	0	0	111.1	L16 W37 Y62 E67 V68 D69 N73 A74 H77	L16-A71 HydrophobicContact CD1-CB 4.11Å; W37-A71 HydrophobicContact CB-CB 4.02Å; W37-A71 HydrophobicContact CD2-CB 4.43Å; W37-A71 HydrophobicContact CG-CB 4.2Å; Y62-A71 HydrophobicContact CE2-CB 3.81Å; Y62-A71 WeakPolarHBondContact OH-CB 3.05Å; E67-A71 PolarHBondContact O-N 3.02Å; V68-A71 PolarHBondContact O-N 2.64Å; D69-A71 PolarHBondContact O-N 3.16Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 3.46Å; A71-A74 PolarHBondContact O-N 2.9Å; A71-H77 PolarHBondContact O-CE1 2.84Å; A71-H77 PolarHBondContact O-NE2 3.48Å
72	M	97.9	Very high	97.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.4	-34.5	-179.9	-71	-59.5	-71.8	0	0	112.8	L16 V68 D69 A74 R75 P86 D157	L16-M72 HydrophobicContact CD1-CG 4.34Å; L16-M72 HydrophobicContact CD1-SD 4.11Å; L16-M72 HydrophobicContact CD2-CG 3.91Å; L16-M72 HydrophobicContact CD2-SD 3.62Å; V68-M72 HydrophobicContact CG1-CG 4.24Å; V68-M72 WeakPolarHBondContact O-CB 3.34Å; V68-M72 WeakPolarHBondContact O-CG 3.27Å; V68-M72 PolarHBondContact O-N 3.04Å; D69-M72 PolarHBondContact O-N 2.73Å; M72-A74 VanDerWaalsContact C-N 3.27Å; M72-A74 PolarHBondContact O-N 3.12Å; M72-R75 VanDerWaalsContact O-CZ 3.31Å; M72-R75 PolarHBondContact O-NE 2.85Å; M72-R75 PolarHBondContact O-NH2 3.28Å; M72-P86 HydrophobicContact SD-CB 3.92Å; M72-P86 HydrophobicContact SD-CG 4.23Å; M72-D157 HydrophobicContact CE-CB 3.73Å; M72-D157 VanDerWaalsContact CE-OD1 3.27Å; M72-D157 WeakPolarHBondContact CE-OD1 3.08Å
73	N	97.1	Very high	97.4	Very high	119 Å²	119	58.3 Å²	58.3	64%	0.636	33%	0.326	S	S	*	.	H	α-helix	trans	-73.4	-18.8	177	-70	-25.7	0	0	0	113.2	D69 A70 A71 R75	D69-N73 VanDerWaalsContact O-CB 3.31Å; D69-N73 WeakPolarHBondContact O-CB 3.25Å; D69-N73 PolarHBondContact O-N 3.09Å; D69-N73 PolarHBondContact O-ND2 2.94Å; D69-N73 VanDerWaalsContact O-ND2 3.13Å; A70-N73 PolarHBondContact O-N 3.14Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 3.46Å; N73-R75 VanDerWaalsContact C-N 3.33Å
74	A	98.1	Very high	97.5	Very high	37 Å²	37	56.9 Å²	56.9	31%	0.306	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	8.9	179	0	0	0	0	0	114.2	W37 A70 A71 M72	W37-A74 HydrophobicContact CD2-CB 4.46Å; W37-A74 VanDerWaalsContact CE2-CB 3.49Å; W37-A74 HydrophobicContact CZ2-CB 3.76Å; A70-A74 PolarHBondContact O-N 3.19Å; A71-A74 PolarHBondContact O-N 2.9Å; M72-A74 VanDerWaalsContact C-N 3.27Å; M72-A74 PolarHBondContact O-N 3.12Å
75	R	97.6	Very high	97.5	Very high	61 Å²	61	58.6 Å²	58.6	23%	0.23	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-58.5	145	171.9	-81.9	175.5	-73.8	152.1	13.9	111	M72 N73 P86 D155 H156	M72-R75 VanDerWaalsContact O-CZ 3.31Å; M72-R75 PolarHBondContact O-NE 2.85Å; M72-R75 PolarHBondContact O-NH2 3.28Å; N73-R75 VanDerWaalsContact C-N 3.33Å; R75-P86 HydrophobicContact CG-CG 3.59Å; R75-D155 IonicContact CZ-OD1 3.88Å; R75-D155 IonicContact CZ-OD2 2.73Å; R75-D155 VanDerWaalsContact CZ-OD2 3.3Å; R75-D155 IonicContact NH1-OD1 2.56Å; R75-D155 PolarHBondContact NH1-OD1 2.95Å; R75-D155 IonicContact NH1-OD2 3.85Å; R75-D155 PolarHBondContact NH1-OD2 2.86Å; R75-D155 VanDerWaalsContact NH1-OD2 3.08Å; R75-D155 IonicContact NH2-OD1 2.94Å; R75-D155 IonicContact NH2-OD2 3.67Å; R75-D155 PolarHBondContact NH2-OD2 3.1Å; R75-H156 PolarHBondContact NH1-CD2 3.3Å; R75-H156 PolarHBondContact NH1-CE1 2.85Å; R75-H156 PolarHBondContact NH1-NE2 3.47Å
76	P	97.5	Very high	97.6	Very high	110 Å²	110	57.4 Å²	57.4	71%	0.714	31%	0.311	S	S	*	.	S	Bend	cis	-82.4	143.7	3.3	32.5	-34.8	0	0	0	113.4	V83	P76-V83 HydrophobicContact CB-CG1 4.45Å
77	H	98.4	Very high	97.7	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.019	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	145.7	174	-65.2	-96.9	0	0	0	111.4	H33 F34 W37 A71 V83 V84	H33-H77 AromaticContact NE2-CG 3.82Å; H33-H77 AromaticContact NE2-ND1 3.34Å; H33-H77 PolarHBondContact NE2-ND1 3.43Å; F34-H77 AromaticContact CE1-ND1 3.88Å; F34-H77 HydrophobicContact CZ-CB 4.44Å; W37-H77 AromaticContact CE2-CE1 3.83Å; W37-H77 AromaticContact CE3-CE1 3.8Å; W37-H77 AromaticContact CH2-CE1 3.33Å; W37-H77 WeakPolarHBondContact CH2-CE1 3.46Å; W37-H77 AromaticContact CH2-ND1 3.06Å; W37-H77 WeakPolarHBondContact CH2-ND1 3.48Å; W37-H77 AromaticContact CZ2-CE1 3.49Å; W37-H77 VanDerWaalsContact CZ2-CE1 3.49Å; W37-H77 WeakPolarHBondContact CZ2-CE1 3.49Å; W37-H77 AromaticContact CZ2-ND1 3.66Å; W37-H77 AromaticContact CZ3-CE1 3.46Å; W37-H77 VanDerWaalsContact CZ3-CE1 3.46Å; W37-H77 WeakPolarHBondContact CZ3-CE1 3.35Å; W37-H77 AromaticContact CZ3-ND1 3.29Å; W37-H77 VanDerWaalsContact CZ3-ND1 3.29Å; W37-H77 WeakPolarHBondContact CZ3-ND1 3.3Å; A71-H77 PolarHBondContact O-CE1 2.84Å; A71-H77 PolarHBondContact O-NE2 3.48Å; H77-V83 WeakPolarHBondContact O-CA 3.38Å; H77-V84 HydrophobicContact CB-CG2 3.57Å; H77-V84 PolarHBondContact O-N 3.17Å
78	K	98.1	Very high	97.6	Very high	132 Å²	132	50 Å²	50	57%	0.574	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.1	173.4	-169.8	178.9	-176.5	-175.6	0	109.6	H33 G81 R82	H33-K78 PolarHBondContact CE1-O 3.28Å; H33-K78 PolarHBondContact ND1-O 2.84Å; K78-G81 WeakPolarHBondContact CE-O 3.42Å; K78-R82 CarbonylContact C-O 3.49Å; K78-R82 VanDerWaalsContact CA-O 3.28Å; K78-R82 WeakPolarHBondContact CA-O 3.39Å
79	V	98.2	Very high	97.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.8	179.3	-175.1	0	0	0	0	108	T25 L30 H33 F34 G81 R82 V84	T25-V79 HydrophobicContact CG2-CG1 3.97Å; L30-V79 HydrophobicContact CD1-CG1 4.47Å; H33-V79 HydrophobicContact CB-CG2 4.14Å; H33-V79 VanDerWaalsContact CD2-CG2 3.49Å; H33-V79 WeakPolarHBondContact CD2-CG2 3.33Å; F34-V79 HydrophobicContact CE2-CG2 4.1Å; V79-G81 PolarHBondContact O-N 2.88Å; V79-G81 VanDerWaalsContact O-N 3.17Å; V79-R82 PolarHBondContact N-O 3.04Å; V79-R82 PolarHBondContact O-N 2.79Å; V79-V84 HydrophobicContact CB-CG1 3.95Å; V79-V84 HydrophobicContact CG2-CG1 3.97Å; V79-V84 HydrophobicContact CG2-CG2 3.93Å
80	D	97.4	Very high	97.3	Very high	76 Å²	76	50 Å²	50	41%	0.406	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	45.7	-179.4	-55.4	-41.3	0	0	0	113.2	T25 S29 R82	T25-D80 WeakPolarHBondContact CA-OD2 3.26Å; T25-D80 VanDerWaalsContact CB-OD2 3.23Å; T25-D80 WeakPolarHBondContact CB-OD2 3.16Å; T25-D80 WeakPolarHBondContact CG2-OD2 3.28Å; T25-D80 PolarHBondContact OG1-OD2 2.92Å; S29-D80 WeakPolarHBondContact CB-OD1 3.41Å; S29-D80 WeakPolarHBondContact CB-OD2 3.39Å; S29-D80 PolarHBondContact OG-OD2 2.69Å; D80-R82 PolarHBondContact O-N 3.07Å
81	G	96.1	Very high	96.9	Very high	60 Å²	60	48.9 Å²	48.9	62%	0.619	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-8.8	178.7	0	0	0	0	0	115.3	K78 V79	K78-G81 WeakPolarHBondContact CE-O 3.42Å; V79-G81 PolarHBondContact O-N 2.88Å; V79-G81 VanDerWaalsContact O-N 3.17Å
82	R	97.6	Very high	96.4	Very high	141 Å²	141	59 Å²	59	53%	0.532	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.7	-175	-169.6	170.7	177	97.6	3.5	112	G20 K78 V79 D80 V84	G20-R82 WeakPolarHBondContact O-CD 3.42Å; G20-R82 WeakPolarHBondContact O-CG 3.19Å; G20-R82 PolarHBondContact O-NE 3.41Å; K78-R82 CarbonylContact C-O 3.49Å; K78-R82 VanDerWaalsContact CA-O 3.28Å; K78-R82 WeakPolarHBondContact CA-O 3.39Å; V79-R82 PolarHBondContact N-O 3.04Å; V79-R82 PolarHBondContact O-N 2.79Å; D80-R82 PolarHBondContact O-N 3.07Å; R82-V84 PolarHBondContact O-N 3.34Å
83	V	98	Very high	95.9	Very high	98 Å²	98	65.9 Å²	65.9	59%	0.594	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	127.2	172.9	179.7	0	0	0	0	108.8	P76 H77	P76-V83 HydrophobicContact CB-CG1 4.45Å; H77-V83 WeakPolarHBondContact O-CA 3.38Å
84	V	98.2	Very high	95.4	Very high	8 Å²	8	61.9 Å²	61.9	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	156.7	-177.2	-55.9	0	0	0	0	110.7	I18 G19 L21 F34 H77 V79 R82 P86	I18-V84 HydrophobicContact CG2-CB 3.88Å; I18-V84 HydrophobicContact CG2-CG1 4.43Å; I18-V84 HydrophobicContact CG2-CG2 3.9Å; G19-V84 WeakPolarHBondContact O-CA 3.39Å; L21-V84 HydrophobicContact CD2-CB 4.41Å; L21-V84 HydrophobicContact CD2-CG1 3.71Å; F34-V84 HydrophobicContact CZ-CG2 4.33Å; H77-V84 HydrophobicContact CB-CG2 3.57Å; H77-V84 PolarHBondContact O-N 3.17Å; V79-V84 HydrophobicContact CB-CG1 3.95Å; V79-V84 HydrophobicContact CG2-CG1 3.97Å; V79-V84 HydrophobicContact CG2-CG2 3.93Å; R82-V84 PolarHBondContact O-N 3.34Å; V84-P86 VanDerWaalsContact O-CD 3.27Å; V84-P86 WeakPolarHBondContact O-CD 3.49Å
85	E	97	Very high	95	Very high	83 Å²	83	61.7 Å²	61.7	39%	0.388	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	89.4	-178.4	-164.9	-170.9	-174.3	0	0	109.5	G19 K87 T103	G19-E85 PolarHBondContact N-O 3.04Å; G19-E85 PolarHBondContact O-N 3.28Å; E85-K87 WeakPolarHBondContact OE1-CE 3.5Å; E85-K87 IonicContact OE1-NZ 2.69Å; E85-K87 PolarHBondContact OE1-NZ 2.79Å; E85-K87 VanDerWaalsContact OE2-CE 3.27Å; E85-K87 WeakPolarHBondContact OE2-CE 3.3Å; E85-K87 IonicContact OE2-NZ 2.64Å; E85-K87 PolarHBondContact OE2-NZ 2.78Å; E85-T103 PolarHBondContact OE1-OG1 2.77Å
86	P	98	Very high	94.5	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.013	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139.3	173.6	30.1	-31.5	0	0	0	110.6	F17 I18 M72 R75 V84	F17-P86 CarbonylContact O-C 3.46Å; F17-P86 WeakPolarHBondContact O-CA 3.3Å; I18-P86 HydrophobicContact CD1-CB 3.69Å; M72-P86 HydrophobicContact SD-CB 3.92Å; M72-P86 HydrophobicContact SD-CG 4.23Å; R75-P86 HydrophobicContact CG-CG 3.59Å; V84-P86 VanDerWaalsContact O-CD 3.27Å; V84-P86 WeakPolarHBondContact O-CD 3.49Å
87	K	97.4	Very high	93.9	Very high	23 Å²	23	65.4 Å²	65.4	10%	0.1	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154	175.8	-59.4	179.6	-168.1	171.5	0	109.4	L16 F17 E85 A89 T103	L16-K87 CarbonylContact C-O 3.57Å; L16-K87 VanDerWaalsContact CA-O 3.31Å; L16-K87 WeakPolarHBondContact CA-O 3.5Å; L16-K87 WeakPolarHBondContact CD2-O 3.43Å; F17-K87 HydrophobicContact CD1-CB 4.39Å; F17-K87 HydrophobicContact CD1-CD 4.46Å; F17-K87 PolarHBondContact N-O 2.78Å; F17-K87 PolarHBondContact O-N 2.87Å; E85-K87 WeakPolarHBondContact OE1-CE 3.5Å; E85-K87 IonicContact OE1-NZ 2.69Å; E85-K87 PolarHBondContact OE1-NZ 2.79Å; E85-K87 VanDerWaalsContact OE2-CE 3.27Å; E85-K87 WeakPolarHBondContact OE2-CE 3.3Å; E85-K87 IonicContact OE2-NZ 2.64Å; E85-K87 PolarHBondContact OE2-NZ 2.78Å; K87-A89 PolarHBondContact O-N 2.71Å; K87-T103 WeakPolarHBondContact CE-OG1 3.27Å; K87-T103 PolarHBondContact NZ-OG1 3.25Å
88	R	96.1	Very high	93.4	Very high	10 Å²	10	69.1 Å²	69.1	4%	0.038	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	134.1	167.1	-55.7	-73.7	168.2	164.8	-4.8	108.8	D69 V90 D157 D160 K161 I164	D69-R88 IonicContact OD1-CZ 3.87Å; D69-R88 IonicContact OD1-NH1 3.68Å; D69-R88 IonicContact OD1-NH2 2.77Å; D69-R88 PolarHBondContact OD1-NH2 3.06Å; R88-V90 PolarHBondContact O-N 3.31Å; R88-D157 IonicContact CZ-OD1 2.78Å; R88-D157 IonicContact CZ-OD2 3.03Å; R88-D157 IonicContact NE-OD1 3.72Å; R88-D157 PolarHBondContact NE-OD1 2.94Å; R88-D157 IonicContact NH2-OD1 3.52Å; R88-D157 PolarHBondContact NH2-OD1 2.82Å; R88-D157 IonicContact NH2-OD2 3.46Å; R88-D157 PolarHBondContact NH2-OD2 3.42Å; R88-D160 HydrophobicContact CB-CB 3.95Å; R88-D160 HydrophobicContact CG-CB 3.74Å; R88-K161 HydrophobicContact CG-CG 4.45Å; R88-I164 HydrophobicContact CB-CD1 4.25Å; R88-I164 HydrophobicContact CG-CD1 4.46Å
89	A	95.5	Very high	92.9	Very high	3 Å²	3	63.9 Å²	63.9	3%	0.025	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-62.3	141.3	175.1	0	0	0	0	0	109	Q12 K15 F59 K87	Q12-A89 VanDerWaalsContact NE2-CB 3.29Å; Q12-A89 PolarHBondContact NE2-O 2.91Å; K15-A89 HydrophobicContact CB-CB 3.85Å; K15-A89 HydrophobicContact CD-CB 4.22Å; K15-A89 HydrophobicContact CG-CB 3.79Å; K15-A89 VanDerWaalsContact O-CB 3.25Å; K15-A89 WeakPolarHBondContact O-CB 2.92Å; K15-A89 PolarHBondContact O-N 3.47Å; F59-A89 HydrophobicContact CD1-CB 4.46Å; F59-A89 HydrophobicContact CE1-CB 4.45Å; K87-A89 PolarHBondContact O-N 2.71Å
90	V	92.6	Very high	92.5	Very high	41 Å²	41	64.4 Å²	64.4	25%	0.248	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-94.1	139.6	171.4	-176.7	0	0	0	0	107.9	Q12 R88 D94 A100	Q12-V90 PolarHBondContact NE2-O 3.13Å; R88-V90 PolarHBondContact O-N 3.31Å; V90-D94 HydrophobicContact CG1-CB 3.75Å; V90-A100 HydrophobicContact CG1-CB 4.18Å
91	S	89.2	Confident	92.3	Very high	16 Å²	16	66 Å²	66	11%	0.112	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-62	156.6	175.2	72.7	0	0	0	0	110.5	E93 D94 S95	S91-E93 PolarHBondContact O-N 2.82Å; S91-D94 PolarHBondContact O-N 3.42Å; S91-D94 WeakPolarHBondContact OG-CB 3.47Å; S91-D94 PolarHBondContact OG-N 3.24Å; S91-D94 PolarHBondContact OG-OD2 3.18Å; S91-S95 WeakPolarHBondContact O-CB 3.13Å; S91-S95 PolarHBondContact O-N 3.21Å; S91-S95 PolarHBondContact O-OG 3.21Å
92	R	88.4	Confident	92.1	Very high	214 Å²	214	66 Å²	66	81%	0.808	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-33.8	179.2	-69.8	179.4	178.8	-95.4	1.6	111.6
93	E	87.7	Confident	91.9	Very high	143 Å²	143	62 Å²	62	67%	0.668	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-45.4	178.9	-61.7	69.4	-151.2	0	0	110.8	S91	S91-E93 PolarHBondContact O-N 2.82Å
94	D	87.1	Confident	91.9	Very high	36 Å²	36	58.6 Å²	58.6	19%	0.193	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-77.7	-25.1	-179.7	-64.1	-45.4	0	0	0	112.6	V90 S91 Q96 R97 A100	V90-D94 HydrophobicContact CG1-CB 3.75Å; S91-D94 PolarHBondContact O-N 3.42Å; S91-D94 WeakPolarHBondContact OG-CB 3.47Å; S91-D94 PolarHBondContact OG-N 3.24Å; S91-D94 PolarHBondContact OG-OD2 3.18Å; D94-Q96 PolarHBondContact O-N 2.83Å; D94-Q96 VanDerWaalsContact O-N 3.09Å; D94-R97 VanDerWaalsContact O-CB 3.3Å; D94-R97 WeakPolarHBondContact O-CB 3.43Å; D94-R97 PolarHBondContact O-N 3.03Å; D94-R97 IonicContact OD1-CZ 2.64Å; D94-R97 IonicContact OD1-NE 3.24Å; D94-R97 PolarHBondContact OD1-NE 3.41Å; D94-R97 IonicContact OD1-NH1 3.17Å; D94-R97 PolarHBondContact OD1-NH1 2.84Å; D94-R97 IonicContact OD1-NH2 2.97Å; D94-R97 PolarHBondContact OD1-NH2 3.12Å; D94-A100 WeakPolarHBondContact O-CB 3.46Å
95	S	89.1	Confident	91.8	Very high	33 Å²	33	63.4 Å²	63.4	23%	0.231	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-55.8	-24.1	173.2	-87.2	0	0	0	0	113.7	S91 R97 H101	S91-S95 WeakPolarHBondContact O-CB 3.13Å; S91-S95 PolarHBondContact O-N 3.21Å; S91-S95 PolarHBondContact O-OG 3.21Å; S95-R97 VanDerWaalsContact C-N 3.3Å; S95-H101 WeakPolarHBondContact CB-NE2 3.49Å; S95-H101 PolarHBondContact OG-CE1 3.19Å; S95-H101 PolarHBondContact OG-NE2 3.02Å
96	Q	87.3	Confident	91.9	Very high	162 Å²	162	62.5 Å²	62.5	76%	0.757	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-79.1	-11.7	176.5	-58.1	-55.4	-41.2	0	0	113.3	D94	D94-Q96 PolarHBondContact O-N 2.83Å; D94-Q96 VanDerWaalsContact O-N 3.09Å
97	R	85.4	Confident	91.9	Very high	86 Å²	86	62.4 Å²	62.4	33%	0.325	31%	0.307	S	S	.	.	S	Bend	trans	-74.4	139.6	-179.7	-64.2	-176.3	-176.6	165.2	12.1	110.5	D94 S95 G99 A100	D94-R97 VanDerWaalsContact O-CB 3.3Å; D94-R97 WeakPolarHBondContact O-CB 3.43Å; D94-R97 PolarHBondContact O-N 3.03Å; D94-R97 IonicContact OD1-CZ 2.64Å; D94-R97 IonicContact OD1-NE 3.24Å; D94-R97 PolarHBondContact OD1-NE 3.41Å; D94-R97 IonicContact OD1-NH1 3.17Å; D94-R97 PolarHBondContact OD1-NH1 2.84Å; D94-R97 IonicContact OD1-NH2 2.97Å; D94-R97 PolarHBondContact OD1-NH2 3.12Å; S95-R97 VanDerWaalsContact C-N 3.3Å; R97-G99 PolarHBondContact O-N 3.25Å; R97-G99 VanDerWaalsContact O-N 3.13Å; R97-A100 HydrophobicContact CB-CB 4.35Å; R97-A100 WeakPolarHBondContact O-CB 3.36Å; R97-A100 PolarHBondContact O-N 2.89Å; R97-A100 VanDerWaalsContact O-N 3.08Å
98	P	86.9	Confident	91.9	Very high	83 Å²	83	64.3 Å²	64.3	54%	0.539	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	123.4	173	-26.4	34.6	0	0	0	111.1	A100 L181 A189	P98-A100 PolarHBondContact O-N 3.05Å; P98-L181 HydrophobicContact CB-CD1 4.37Å; P98-A189 HydrophobicContact CB-CB 3.64Å; P98-A189 HydrophobicContact CG-CB 3.9Å
99	G	88.3	Confident	92	Very high	21 Å²	21	63.9 Å²	63.9	22%	0.216	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	10.7	177.3	0	0	0	0	0	116.6	R97 H101 L102	R97-G99 PolarHBondContact O-N 3.25Å; R97-G99 VanDerWaalsContact O-N 3.13Å; G99-H101 PolarHBondContact O-N 3.34Å; G99-H101 VanDerWaalsContact O-N 3.17Å; G99-L102 VanDerWaalsContact CA-CD1 3.45Å; G99-L102 WeakPolarHBondContact O-CB 3.31Å; G99-L102 PolarHBondContact O-N 2.95Å
100	A	90.4	Very high	92	Very high	14 Å²	14	64.1 Å²	64.1	12%	0.116	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-37.4	179.7	0	0	0	0	0	113.4	V90 D94 R97 P98 K179	V90-A100 HydrophobicContact CG1-CB 4.18Å; D94-A100 WeakPolarHBondContact O-CB 3.46Å; R97-A100 HydrophobicContact CB-CB 4.35Å; R97-A100 WeakPolarHBondContact O-CB 3.36Å; R97-A100 PolarHBondContact O-N 2.89Å; R97-A100 VanDerWaalsContact O-N 3.08Å; P98-A100 PolarHBondContact O-N 3.05Å; A100-K179 PolarHBondContact O-NZ 3.35Å
101	H	91.4	Very high	92.1	Very high	110 Å²	110	64 Å²	64	51%	0.509	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.9	-179	-64.2	-70.5	0	0	0	114.7	S95 G99	S95-H101 WeakPolarHBondContact CB-NE2 3.49Å; S95-H101 PolarHBondContact OG-CE1 3.19Å; S95-H101 PolarHBondContact OG-NE2 3.02Å; G99-H101 PolarHBondContact O-N 3.34Å; G99-H101 VanDerWaalsContact O-N 3.17Å
102	L	92.9	Very high	92.4	Very high	58 Å²	58	63.5 Å²	63.5	30%	0.304	32%	0.32	S	S	.	.			trans	-69.9	136.8	178.5	-65.2	171.8	0	0	0	110.4	G99 V104 K179 L181 E185	G99-L102 VanDerWaalsContact CA-CD1 3.45Å; G99-L102 WeakPolarHBondContact O-CB 3.31Å; G99-L102 PolarHBondContact O-N 2.95Å; L102-V104 HydrophobicContact CB-CG1 3.95Å; L102-V104 PolarHBondContact O-N 2.93Å; L102-K179 PolarHBondContact O-NZ 3.43Å; L102-L181 HydrophobicContact CD1-CD2 3.69Å; L102-E185 VanDerWaalsContact CD1-OE1 3.27Å; L102-E185 WeakPolarHBondContact CD1-OE1 2.93Å
103	T	94.1	Very high	92.7	Very high	59 Å²	59	58.6 Å²	58.6	36%	0.362	30%	0.304	S	S	.	.			trans	-81.7	102.7	167.6	-48.1	0	0	0	0	107.8	E85 K87 H156	E85-T103 PolarHBondContact OE1-OG1 2.77Å; K87-T103 WeakPolarHBondContact CE-OG1 3.27Å; K87-T103 PolarHBondContact NZ-OG1 3.25Å; T103-H156 HydrophobicContact CG2-CB 3.67Å; T103-H156 VanDerWaalsContact CG2-CG 3.48Å
104	V	96.1	Very high	92.9	Very high	26 Å²	26	57.6 Å²	57.6	16%	0.158	30%	0.3	C	S	.	.			trans	-127.7	148.6	177.1	-58.1	0	0	0	0	110	L102 K106 H156 V159 K179	L102-V104 HydrophobicContact CB-CG1 3.95Å; L102-V104 PolarHBondContact O-N 2.93Å; V104-K106 WeakPolarHBondContact CG2-O 3.42Å; V104-H156 WeakPolarHBondContact O-CB 3.34Å; V104-V159 HydrophobicContact CG2-CG1 4.03Å; V104-V159 WeakPolarHBondContact O-CB 3.39Å; V104-V159 WeakPolarHBondContact O-CG2 3.22Å; V104-K179 HydrophobicContact CG2-CB 3.73Å; V104-K179 HydrophobicContact CG2-CD 4Å; V104-K179 HydrophobicContact CG2-CG 3.8Å
105	K	97.5	Very high	93.2	Very high	108 Å²	108	59.7 Å²	59.7	47%	0.47	31%	0.311	S	S	.	.	S	Bend	trans	-99.6	6.5	175.2	-59.8	-174.6	175.8	-166.2	0	112.8	T152 F153 D154 H156 V159	K105-T152 CarbonylContact O-C 3.58Å; K105-T152 WeakPolarHBondContact O-CA 3.31Å; K105-F153 WeakPolarHBondContact CB-O 3.16Å; K105-F153 PolarHBondContact O-N 2.95Å; K105-D154 WeakPolarHBondContact CD-O 3.47Å; K105-D154 VanDerWaalsContact CE-O 3.25Å; K105-D154 WeakPolarHBondContact CE-O 3.45Å; K105-D154 PolarHBondContact NZ-O 3.48Å; K105-H156 HydrophobicContact CG-CB 4.42Å; K105-V159 VanDerWaalsContact C-CG2 3.46Å
106	K	98	Very high	93.5	Very high	64 Å²	64	58.1 Å²	58.1	28%	0.278	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.7	-173.5	-168.9	170.8	-171	162.8	0	110.5	V104 E135 F150 V151 A180	V104-K106 WeakPolarHBondContact CG2-O 3.42Å; K106-E135 IonicContact NZ-OE2 2.79Å; K106-E135 PolarHBondContact NZ-OE2 2.69Å; K106-F150 HydrophobicContact CD-CB 4.33Å; K106-F150 HydrophobicContact CD-CD1 4.36Å; K106-F150 VanDerWaalsContact CE-CG 3.49Å; K106-F150 HydrophobicContact CG-CB 4.26Å; K106-F150 HydrophobicContact CG-CD1 4.29Å; K106-V151 CarbonylContact C-O 3.47Å; K106-V151 WeakPolarHBondContact CA-O 3.46Å; K106-A180 HydrophobicContact CB-CB 3.89Å; K106-A180 HydrophobicContact CD-CB 4.27Å; K106-A180 HydrophobicContact CG-CB 3.72Å; K106-A180 VanDerWaalsContact O-CB 3.22Å; K106-A180 WeakPolarHBondContact O-CB 3.49Å; K106-A180 PolarHBondContact O-N 3.36Å
107	I	98.1	Very high	93.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	148	170.9	56.4	172	0	0	0	111	V109 F125 F150 V151 F153 V159 I162 V163 V177 R178	I107-V109 HydrophobicContact CD1-CG2 3.81Å; I107-V109 HydrophobicContact CG1-CG2 4.1Å; I107-F125 HydrophobicContact CD1-CD1 3.97Å; I107-F125 HydrophobicContact CD1-CE1 3.73Å; I107-F125 HydrophobicContact CD1-CE2 4.31Å; I107-F125 HydrophobicContact CD1-CG 4.37Å; I107-F125 HydrophobicContact CD1-CZ 3.92Å; I107-F150 VanDerWaalsContact O-CA 3.26Å; I107-F150 WeakPolarHBondContact O-CA 2.94Å; I107-F150 WeakPolarHBondContact O-CD1 3.5Å; I107-V151 HydrophobicContact CD1-CB 3.95Å; I107-V151 HydrophobicContact CD1-CG2 4.36Å; I107-V151 HydrophobicContact CG1-CB 3.68Å; I107-V151 HydrophobicContact CG1-CG2 4.39Å; I107-V151 WeakPolarHBondContact CG1-O 3.07Å; I107-V151 PolarHBondContact N-O 2.92Å; I107-V151 PolarHBondContact O-N 3Å; I107-V151 VanDerWaalsContact O-N 3.13Å; I107-F153 HydrophobicContact CD1-CE2 3.84Å; I107-F153 HydrophobicContact CD1-CZ 4.42Å; I107-F153 HydrophobicContact CG1-CE2 4Å; I107-V159 HydrophobicContact CG2-CB 4.12Å; I107-V159 HydrophobicContact CG2-CG1 3.57Å; I107-V159 HydrophobicContact CG2-CG2 3.97Å; I107-I162 HydrophobicContact CD1-CD1 4.1Å; I107-I162 HydrophobicContact CD1-CG2 4.3Å; I107-V163 HydrophobicContact CG2-CG1 4.22Å; I107-V177 HydrophobicContact CB-CG1 3.9Å; I107-V177 HydrophobicContact CD1-CG1 3.86Å; I107-V177 HydrophobicContact CG1-CG1 4.43Å; I107-V177 HydrophobicContact CG2-CG1 4.07Å; I107-R178 CarbonylContact C-O 3.57Å; I107-R178 WeakPolarHBondContact CA-O 3.47Å
108	F	97.5	Very high	94.5	Very high	64 Å²	64	55.3 Å²	55.3	28%	0.281	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.9	162.5	168.8	-90.7	0	0	0	108.4	F148 F150 V177 R178	F108-F148 HydrophobicContact CD2-CB 4.49Å; F108-F148 AromaticContact CD2-CD2 3.98Å; F108-F148 HydrophobicContact CD2-CD2 3.98Å; F108-F148 HydrophobicContact CE2-CB 3.61Å; F108-F148 AromaticContact CE2-CD2 3.42Å; F108-F148 HydrophobicContact CE2-CD2 3.42Å; F108-F148 VanDerWaalsContact CE2-CD2 3.42Å; F108-F148 HydrophobicContact CE2-CE2 4.16Å; F108-F148 AromaticContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CZ-CB 3.78Å; F108-F148 HydrophobicContact CZ-CD2 4.4Å; F108-F148 HydrophobicContact CZ-CG 4.22Å; F108-F150 HydrophobicContact CB-CD1 4.22Å; F108-F150 HydrophobicContact CB-CE1 3.96Å; F108-F150 AromaticContact CD2-CE1 3.86Å; F108-F150 HydrophobicContact CD2-CE1 3.86Å; F108-F150 HydrophobicContact CD2-CZ 4.02Å; F108-F150 HydrophobicContact CG-CE1 4.42Å; F108-V177 WeakPolarHBondContact O-CA 3.17Å; F108-R178 PolarHBondContact N-O 2.93Å; F108-R178 PolarHBondContact O-N 3.35Å
109	V	97.8	Very high	95	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	104.4	177.2	-172.8	0	0	0	0	107.9	I107 I112 L121 F125 F148 A149 V151 C175 V177	I107-V109 HydrophobicContact CD1-CG2 3.81Å; I107-V109 HydrophobicContact CG1-CG2 4.1Å; V109-I112 HydrophobicContact CG1-CG2 3.85Å; V109-L121 HydrophobicContact CG1-CD2 4.15Å; V109-F125 HydrophobicContact CG1-CE2 4.23Å; V109-F125 HydrophobicContact CG1-CZ 4.26Å; V109-F125 HydrophobicContact CG2-CE2 3.75Å; V109-F125 HydrophobicContact CG2-CZ 3.82Å; V109-F148 CarbonylContact O-C 3.55Å; V109-F148 WeakPolarHBondContact O-CA 3.44Å; V109-F148 WeakPolarHBondContact O-CB 3.24Å; V109-A149 PolarHBondContact N-O 3.44Å; V109-A149 PolarHBondContact O-N 3.18Å; V109-V151 HydrophobicContact CG2-CG2 4.21Å; V109-C175 HydrophobicContact CG1-CB 3.98Å; V109-V177 HydrophobicContact CG1-CG2 4.25Å; V109-V177 HydrophobicContact CG2-CG2 4.3Å
110	G	97	Very high	95.4	Very high	9 Å²	9	56.5 Å²	56.5	9%	0.093	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	155.9	-178.4	0	0	0	0	0	113	C175 E176	G110-C175 CarbonylContact O-C 3.55Å; G110-C175 WeakPolarHBondContact O-CA 3.37Å; G110-C175 WeakPolarHBondContact O-CB 3.33Å; G110-E176 PolarHBondContact N-O 2.81Å; G110-E176 PolarHBondContact O-N 2.88Å
111	G	94.8	Very high	95.8	Very high	37 Å²	37	55.8 Å²	55.8	38%	0.381	28%	0.278	S	S	.	.	S	Bend	trans	83.5	12.7	177.6	0	0	0	0	0	114.2	G147	G111-G147 PolarHBondContact N-O 2.93Å
112	I	95.2	Very high	96.1	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.036	27%	0.267	C	S	.	.			trans	-72	146.6	170.6	61.9	173.2	0	0	0	110	V109 T116 L121 I136 G147 A149 C175	V109-I112 HydrophobicContact CG1-CG2 3.85Å; I112-T116 HydrophobicContact CB-CG2 3.99Å; I112-T116 HydrophobicContact CD1-CG2 4.29Å; I112-T116 HydrophobicContact CG2-CG2 4.17Å; I112-L121 HydrophobicContact CG2-CD2 4.48Å; I112-I136 HydrophobicContact CD1-CG2 4.41Å; I112-G147 VanDerWaalsContact CG1-C 3.49Å; I112-G147 PolarHBondContact N-O 2.92Å; I112-G147 WeakPolarHBondContact O-CA 3.31Å; I112-A149 HydrophobicContact CD1-CB 3.66Å; I112-C175 HydrophobicContact CG2-CB 4.01Å
113	K	93.5	Very high	96.3	Very high	110 Å²	110	56.2 Å²	56.2	48%	0.478	28%	0.278	S	S	.	.			trans	-89.2	168.3	-179	-65.4	-60.8	-173.9	176.6	0	111.3	D115 T116 H173	K113-D115 WeakPolarHBondContact CB-OD1 3.26Å; K113-D115 PolarHBondContact O-N 3.34Å; K113-T116 PolarHBondContact N-OG1 2.75Å; K113-T116 VanDerWaalsContact O-CB 3.29Å; K113-T116 WeakPolarHBondContact O-CB 3.3Å; K113-T116 PolarHBondContact O-N 2.77Å; K113-T116 PolarHBondContact O-OG1 2.83Å; K113-H173 HydrophobicContact CG-CB 4.28Å; K113-H173 WeakPolarHBondContact CG-ND1 3.33Å
114	E	92.1	Very high	96.5	Very high	123 Å²	123	55.8 Å²	55.8	58%	0.575	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.2	-178.9	-65.5	-171.3	163.9	0	0	113.1	T116 K145	E114-T116 VanDerWaalsContact C-N 3.27Å; E114-T116 PolarHBondContact O-N 2.99Å; E114-K145 VanDerWaalsContact O-CD 3.28Å; E114-K145 WeakPolarHBondContact O-CD 3.27Å; E114-K145 WeakPolarHBondContact O-CE 3.21Å; E114-K145 PolarHBondContact O-NZ 2.56Å
115	D	94.3	Very high	96.6	Very high	80 Å²	80	54.5 Å²	54.5	43%	0.428	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.8	173.8	67.1	-6.8	0	0	0	113.6	K113 E117 H120 N171 H173	K113-D115 WeakPolarHBondContact CB-OD1 3.26Å; K113-D115 PolarHBondContact O-N 3.34Å; D115-E117 PolarHBondContact O-N 3.03Å; D115-H120 PolarHBondContact O-CE1 2.91Å; D115-N171 PolarHBondContact OD1-ND2 2.9Å; D115-N171 VanDerWaalsContact OD1-ND2 3.16Å; D115-N171 PolarHBondContact OD2-ND2 3.35Å; D115-H173 IonicContact OD1-CD2 3.6Å; D115-H173 IonicContact OD1-NE2 3.25Å; D115-H173 PolarHBondContact OD1-NE2 3.35Å; D115-H173 IonicContact OD2-CD2 3.94Å; D115-H173 IonicContact OD2-CE1 3.83Å; D115-H173 IonicContact OD2-NE2 2.93Å; D115-H173 PolarHBondContact OD2-NE2 2.94Å
116	T	95.5	Very high	96.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.266	C	S	.	.			trans	-80.7	123.1	-175.6	-56.7	0	0	0	0	110.1	I112 K113 E114 H120 L121 I136 K145	I112-T116 HydrophobicContact CB-CG2 3.99Å; I112-T116 HydrophobicContact CD1-CG2 4.29Å; I112-T116 HydrophobicContact CG2-CG2 4.17Å; K113-T116 PolarHBondContact N-OG1 2.75Å; K113-T116 VanDerWaalsContact O-CB 3.29Å; K113-T116 WeakPolarHBondContact O-CB 3.3Å; K113-T116 PolarHBondContact O-N 2.77Å; K113-T116 PolarHBondContact O-OG1 2.83Å; E114-T116 VanDerWaalsContact C-N 3.27Å; E114-T116 PolarHBondContact O-N 2.99Å; T116-H120 HydrophobicContact CG2-CB 4.27Å; T116-L121 HydrophobicContact CG2-CD2 4.46Å; T116-L121 HydrophobicContact CG2-CG 4.28Å; T116-I136 WeakPolarHBondContact O-CD1 3.26Å; T116-K145 WeakPolarHBondContact O-CE 3.4Å; T116-K145 PolarHBondContact O-NZ 3.11Å
117	E	96.1	Very high	96.5	Very high	100 Å²	100	58 Å²	58	47%	0.467	28%	0.281	S	S	.	.			trans	-112.8	172.5	-178.7	-65.5	-169.3	175.1	0	0	111.9	D115 H119 H120 L121	D115-E117 PolarHBondContact O-N 3.03Å; E117-H119 VanDerWaalsContact C-N 3.29Å; E117-H119 WeakPolarHBondContact CB-ND1 3.15Å; E117-H119 PolarHBondContact O-N 2.86Å; E117-H119 IonicContact OE2-CE1 2.87Å; E117-H119 PolarHBondContact OE2-CE1 3.15Å; E117-H119 IonicContact OE2-ND1 3.08Å; E117-H119 PolarHBondContact OE2-ND1 2.97Å; E117-H120 PolarHBondContact N-ND1 2.8Å; E117-H120 PolarHBondContact O-N 2.9Å; E117-L121 PolarHBondContact O-N 2.64Å
118	E	96.9	Very high	96.4	Very high	89 Å²	89	60.4 Å²	60.4	42%	0.416	29%	0.291	S	S	.	.	H	α-helix	trans	-57.2	-43.2	-178.5	177.4	175	163.4	0	0	111.8	H120 L121 R122 I134	E118-H120 VanDerWaalsContact C-N 3.35Å; E118-H120 PolarHBondContact O-N 3.15Å; E118-L121 PolarHBondContact O-N 2.88Å; E118-L121 VanDerWaalsContact O-N 3.14Å; E118-R122 WeakPolarHBondContact O-CB 3.35Å; E118-R122 PolarHBondContact O-N 3.44Å; E118-R122 IonicContact OE1-CZ 3.11Å; E118-R122 IonicContact OE1-NE 3.25Å; E118-R122 IonicContact OE1-NH2 3.3Å; E118-R122 PolarHBondContact OE1-NH2 3.17Å; E118-I134 HydrophobicContact CB-CG2 4.45Å; E118-I134 HydrophobicContact CG-CB 3.82Å; E118-I134 HydrophobicContact CG-CD1 3.77Å; E118-I134 HydrophobicContact CG-CG1 4.34Å; E118-I134 HydrophobicContact CG-CG2 3.9Å
119	H	97.6	Very high	96.4	Very high	84 Å²	84	58.4 Å²	58.4	39%	0.389	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-39.5	-178.2	69.9	-89.4	0	0	0	111.8	E117 L121 R122 D123	E117-H119 VanDerWaalsContact C-N 3.29Å; E117-H119 WeakPolarHBondContact CB-ND1 3.15Å; E117-H119 PolarHBondContact O-N 2.86Å; E117-H119 IonicContact OE2-CE1 2.87Å; E117-H119 PolarHBondContact OE2-CE1 3.15Å; E117-H119 IonicContact OE2-ND1 3.08Å; E117-H119 PolarHBondContact OE2-ND1 2.97Å; H119-L121 VanDerWaalsContact C-N 3.28Å; H119-L121 PolarHBondContact O-N 2.87Å; H119-R122 PolarHBondContact O-N 3.45Å; H119-R122 VanDerWaalsContact O-N 3.12Å; H119-D123 WeakPolarHBondContact O-CB 3.25Å; H119-D123 PolarHBondContact O-N 3.44Å
120	H	97.6	Very high	96.4	Very high	44 Å²	44	64.6 Å²	64.6	20%	0.204	32%	0.315	C	S	.	.	H	α-helix	trans	-58.1	-39.8	174.1	-59.1	147.6	0	0	0	112.8	D115 T116 E117 E118 Y124 V170 N171	D115-H120 PolarHBondContact O-CE1 2.91Å; T116-H120 HydrophobicContact CG2-CB 4.27Å; E117-H120 PolarHBondContact N-ND1 2.8Å; E117-H120 PolarHBondContact O-N 2.9Å; E118-H120 VanDerWaalsContact C-N 3.35Å; E118-H120 PolarHBondContact O-N 3.15Å; H120-Y124 PolarHBondContact O-N 3.33Å; H120-V170 HydrophobicContact CB-CG1 4.31Å; H120-V170 WeakPolarHBondContact O-CG1 3.46Å; H120-N171 HydrophobicContact CB-CB 4.08Å; H120-N171 PolarHBondContact ND1-ND2 3.47Å
121	L	97.9	Very high	96.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-72	-42.4	176.4	-66.9	168.1	0	0	0	110.6	V109 I112 T116 E117 E118 H119 Y124 F125 I134 I136 A149 V170	V109-L121 HydrophobicContact CG1-CD2 4.15Å; I112-L121 HydrophobicContact CG2-CD2 4.48Å; T116-L121 HydrophobicContact CG2-CD2 4.46Å; T116-L121 HydrophobicContact CG2-CG 4.28Å; E117-L121 PolarHBondContact O-N 2.64Å; E118-L121 PolarHBondContact O-N 2.88Å; E118-L121 VanDerWaalsContact O-N 3.14Å; H119-L121 VanDerWaalsContact C-N 3.28Å; H119-L121 PolarHBondContact O-N 2.87Å; L121-Y124 PolarHBondContact O-N 2.8Å; L121-F125 HydrophobicContact CB-CD2 4.27Å; L121-F125 HydrophobicContact CD2-CD2 4.23Å; L121-F125 HydrophobicContact CD2-CE2 3.76Å; L121-F125 VanDerWaalsContact O-CB 3.27Å; L121-F125 WeakPolarHBondContact O-CB 3.34Å; L121-F125 WeakPolarHBondContact O-CD2 3.45Å; L121-F125 PolarHBondContact O-N 2.86Å; L121-I134 HydrophobicContact CB-CD1 4.28Å; L121-I134 HydrophobicContact CB-CG2 4.21Å; L121-I134 HydrophobicContact CD1-CG2 3.72Å; L121-I136 HydrophobicContact CD1-CD1 3.95Å; L121-I136 HydrophobicContact CD1-CG1 3.78Å; L121-A149 HydrophobicContact CD1-CB 3.55Å; L121-V170 HydrophobicContact CD2-CG1 4.12Å
122	R	98.1	Very high	96.6	Very high	77 Å²	77	67.8 Å²	67.8	29%	0.291	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-55.3	179.9	-172.3	172.1	-67.5	-80.9	0.8	111.3	E118 H119 Y124 F125 E126 I131 I134	E118-R122 WeakPolarHBondContact O-CB 3.35Å; E118-R122 PolarHBondContact O-N 3.44Å; E118-R122 IonicContact OE1-CZ 3.11Å; E118-R122 IonicContact OE1-NE 3.25Å; E118-R122 IonicContact OE1-NH2 3.3Å; E118-R122 PolarHBondContact OE1-NH2 3.17Å; H119-R122 PolarHBondContact O-N 3.45Å; H119-R122 VanDerWaalsContact O-N 3.12Å; R122-Y124 PolarHBondContact O-N 2.99Å; R122-F125 PolarHBondContact O-N 2.95Å; R122-E126 VanDerWaalsContact O-CB 3.28Å; R122-E126 WeakPolarHBondContact O-CB 3.08Å; R122-E126 WeakPolarHBondContact O-CG 3.09Å; R122-E126 PolarHBondContact O-N 2.79Å; R122-I131 HydrophobicContact CG-CD1 4.32Å; R122-I134 HydrophobicContact CB-CD1 3.62Å; R122-I134 HydrophobicContact CG-CD1 4.29Å
123	D	97.5	Very high	96.7	Very high	100 Å²	100	70.8 Å²	70.8	54%	0.535	34%	0.336	S	S	.	.	H	α-helix	trans	-57.7	-36.8	-177.6	-61.6	-8.5	0	0	0	111.5	H119	H119-D123 WeakPolarHBondContact O-CB 3.25Å; H119-D123 PolarHBondContact O-N 3.44Å
124	Y	97.7	Very high	97	Very high	49 Å²	49	66.3 Å²	66.3	19%	0.192	32%	0.318	C	S	.	.	H	α-helix	trans	-77.9	-42.9	177.6	-176.2	-98.4	0	0	0	113.4	H120 L121 R122 Q127 Y128 H168 T169 V170	H120-Y124 PolarHBondContact O-N 3.33Å; L121-Y124 PolarHBondContact O-N 2.8Å; R122-Y124 PolarHBondContact O-N 2.99Å; Y124-Q127 VanDerWaalsContact O-CG 3.27Å; Y124-Q127 WeakPolarHBondContact O-CG 3.46Å; Y124-Q127 PolarHBondContact O-NE2 2.91Å; Y124-Y128 HydrophobicContact CE1-CE2 4.05Å; Y124-H168 HydrophobicContact CE1-CB 3.72Å; Y124-H168 AromaticContact CE1-CG 3.89Å; Y124-H168 AromaticContact CE1-ND1 3.54Å; Y124-H168 AromaticContact CZ-ND1 3.63Å; Y124-H168 PolarHBondContact OH-ND1 3.37Å; Y124-T169 WeakPolarHBondContact CE2-O 3.29Å; Y124-V170 HydrophobicContact CD1-CG2 3.51Å; Y124-V170 HydrophobicContact CD2-CG2 4.31Å; Y124-V170 HydrophobicContact CE1-CG2 3.95Å; Y124-V170 HydrophobicContact CG-CG2 3.71Å
125	F	98.1	Very high	97.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-88.3	-19.6	-171.1	-76	-59.1	0	0	0	113.7	I107 V109 L121 R122 Q127 Y128 I131 V151 F153 I162 V170 V177	I107-F125 HydrophobicContact CD1-CD1 3.97Å; I107-F125 HydrophobicContact CD1-CE1 3.73Å; I107-F125 HydrophobicContact CD1-CE2 4.31Å; I107-F125 HydrophobicContact CD1-CG 4.37Å; I107-F125 HydrophobicContact CD1-CZ 3.92Å; V109-F125 HydrophobicContact CG1-CE2 4.23Å; V109-F125 HydrophobicContact CG1-CZ 4.26Å; V109-F125 HydrophobicContact CG2-CE2 3.75Å; V109-F125 HydrophobicContact CG2-CZ 3.82Å; L121-F125 HydrophobicContact CB-CD2 4.27Å; L121-F125 HydrophobicContact CD2-CD2 4.23Å; L121-F125 HydrophobicContact CD2-CE2 3.76Å; L121-F125 VanDerWaalsContact O-CB 3.27Å; L121-F125 WeakPolarHBondContact O-CB 3.34Å; L121-F125 WeakPolarHBondContact O-CD2 3.45Å; L121-F125 PolarHBondContact O-N 2.86Å; R122-F125 PolarHBondContact O-N 2.95Å; F125-Q127 PolarHBondContact O-N 2.97Å; F125-Y128 HydrophobicContact CD1-CD2 4.25Å; F125-Y128 HydrophobicContact CD1-CE2 4.4Å; F125-Y128 PolarHBondContact O-N 2.85Å; F125-Y128 VanDerWaalsContact O-N 3.12Å; F125-I131 HydrophobicContact CB-CD1 3.75Å; F125-V151 HydrophobicContact CB-CG1 4.46Å; F125-V151 HydrophobicContact CD2-CG2 3.91Å; F125-V151 HydrophobicContact CE2-CG2 4.26Å; F125-F153 HydrophobicContact CB-CE1 4.43Å; F125-F153 HydrophobicContact CB-CZ 3.91Å; F125-F153 HydrophobicContact CD1-CZ 4.45Å; F125-F153 HydrophobicContact CG-CZ 4.41Å; F125-I162 HydrophobicContact CD1-CD1 3.8Å; F125-I162 HydrophobicContact CD1-CG1 4.41Å; F125-I162 HydrophobicContact CE1-CD1 4.29Å; F125-I162 HydrophobicContact CE1-CG2 3.97Å; F125-V170 HydrophobicContact CE2-CG2 4.39Å; F125-V170 HydrophobicContact CZ-CG2 4.43Å; F125-V177 HydrophobicContact CE1-CG2 4.33Å; F125-V177 HydrophobicContact CZ-CG2 3.96Å
126	E	97.1	Very high	97.3	Very high	116 Å²	116	62 Å²	62	54%	0.542	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-64.6	-25.3	-179.7	72.8	174	-151.9	0	0	112.9	R122 Y128 G129 I131	R122-E126 VanDerWaalsContact O-CB 3.28Å; R122-E126 WeakPolarHBondContact O-CB 3.08Å; R122-E126 WeakPolarHBondContact O-CG 3.09Å; R122-E126 PolarHBondContact O-N 2.79Å; E126-Y128 PolarHBondContact O-N 3.4Å; E126-Y128 VanDerWaalsContact O-N 3.15Å; E126-G129 PolarHBondContact O-N 2.96Å; E126-G129 VanDerWaalsContact O-N 3.15Å; E126-I131 HydrophobicContact CB-CD1 4.23Å
127	Q	96.6	Very high	97.3	Very high	129 Å²	129	64.4 Å²	64.4	60%	0.603	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-61.5	-21.8	175.7	75.9	-172.5	-36.7	0	0	113.1	Y124 F125	Y124-Q127 VanDerWaalsContact O-CG 3.27Å; Y124-Q127 WeakPolarHBondContact O-CG 3.46Å; Y124-Q127 PolarHBondContact O-NE2 2.91Å; F125-Q127 PolarHBondContact O-N 2.97Å
128	Y	96.3	Very high	97.2	Very high	51 Å²	51	62.8 Å²	62.8	20%	0.2	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-90.5	-20.7	179.8	-65.2	-84.4	0	0	0	113.1	Y124 F125 E126 S158 K161 I162	Y124-Y128 HydrophobicContact CE1-CE2 4.05Å; F125-Y128 HydrophobicContact CD1-CD2 4.25Å; F125-Y128 HydrophobicContact CD1-CE2 4.4Å; F125-Y128 PolarHBondContact O-N 2.85Å; F125-Y128 VanDerWaalsContact O-N 3.12Å; E126-Y128 PolarHBondContact O-N 3.4Å; E126-Y128 VanDerWaalsContact O-N 3.15Å; Y128-S158 PolarHBondContact O-OG 3.46Å; Y128-K161 HydrophobicContact CD1-CB 4.27Å; Y128-I162 HydrophobicContact CD1-CG1 3.6Å; Y128-I162 HydrophobicContact CD2-CD1 4.01Å; Y128-I162 HydrophobicContact CD2-CG1 3.68Å; Y128-I162 HydrophobicContact CE1-CG1 4.02Å; Y128-I162 HydrophobicContact CE2-CG1 4.08Å; Y128-I162 HydrophobicContact CG-CD1 3.89Å; Y128-I162 HydrophobicContact CG-CG1 3.42Å; Y128-I162 VanDerWaalsContact CG-CG1 3.42Å
129	G	96.4	Very high	96.9	Very high	22 Å²	22	62 Å²	62	23%	0.227	30%	0.304	C	S	.	.	S	Bend	trans	158.6	175.9	-178	0	0	0	0	0	113	E126 I131	E126-G129 PolarHBondContact O-N 2.96Å; E126-G129 VanDerWaalsContact O-N 3.15Å; G129-I131 PolarHBondContact O-N 2.66Å
130	K	97.8	Very high	96.4	Very high	129 Å²	129	70.2 Å²	70.2	56%	0.561	33%	0.331	S	S	*	.			trans	-71.4	122.6	-174.8	-179.1	-175.9	179.7	-123.6	0	111.2	E132 F153 D154	K130-E132 IonicContact NZ-OE1 3.96Å; K130-E132 PolarHBondContact NZ-OE1 3.08Å; K130-F153 WeakPolarHBondContact O-CA 3.39Å; K130-D154 HydrophobicContact CB-CB 4.37Å; K130-D154 HydrophobicContact CD-CB 4.42Å; K130-D154 PolarHBondContact O-N 3.02Å
131	I	98.4	Very high	96.1	Very high	16 Å²	16	71.7 Å²	71.7	8%	0.082	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.7	176.9	-60.7	172.6	0	0	0	109.8	R122 F125 E126 G129 I134 V151 F153	R122-I131 HydrophobicContact CG-CD1 4.32Å; F125-I131 HydrophobicContact CB-CD1 3.75Å; E126-I131 HydrophobicContact CB-CD1 4.23Å; G129-I131 PolarHBondContact O-N 2.66Å; I131-I134 HydrophobicContact CD1-CD1 4.28Å; I131-I134 HydrophobicContact CG2-CD1 4.03Å; I131-I134 HydrophobicContact CG2-CG1 3.62Å; I131-V151 HydrophobicContact CD1-CG1 4.11Å; I131-V151 HydrophobicContact CG1-CG1 4.06Å; I131-V151 HydrophobicContact CG2-CG1 3.86Å; I131-F153 HydrophobicContact CG1-CD1 4.05Å; I131-F153 HydrophobicContact CG1-CE1 3.71Å; I131-F153 HydrophobicContact CG1-CZ 4.34Å
132	E	98.3	Very high	95.8	Very high	98 Å²	98	75 Å²	75	46%	0.458	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-47.5	174.2	-70.1	-71.5	137.1	0	0	111.4	K130 T152 D154	K130-E132 IonicContact NZ-OE1 3.96Å; K130-E132 PolarHBondContact NZ-OE1 3.08Å; E132-T152 PolarHBondContact N-O 3.38Å; E132-D154 HydrophobicContact CG-CB 4.01Å
133	V	97.9	Very high	95.3	Very high	69 Å²	69	73.8 Å²	73.8	42%	0.418	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	138.6	-174.1	-173.7	0	0	0	0	111.2	E135 T152	V133-E135 HydrophobicContact CG1-CG 3.94Å; V133-T152 PolarHBondContact N-O 2.92Å; V133-T152 PolarHBondContact O-N 2.87Å
134	I	98.1	Very high	95	Very high	17 Å²	17	75.2 Å²	75.2	9%	0.087	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.5	169.5	-59.1	175.3	0	0	0	108.8	E118 L121 R122 I131 F150 V151	E118-I134 HydrophobicContact CB-CG2 4.45Å; E118-I134 HydrophobicContact CG-CB 3.82Å; E118-I134 HydrophobicContact CG-CD1 3.77Å; E118-I134 HydrophobicContact CG-CG1 4.34Å; E118-I134 HydrophobicContact CG-CG2 3.9Å; L121-I134 HydrophobicContact CB-CD1 4.28Å; L121-I134 HydrophobicContact CB-CG2 4.21Å; L121-I134 HydrophobicContact CD1-CG2 3.72Å; R122-I134 HydrophobicContact CB-CD1 3.62Å; R122-I134 HydrophobicContact CG-CD1 4.29Å; I131-I134 HydrophobicContact CD1-CD1 4.28Å; I131-I134 HydrophobicContact CG2-CD1 4.03Å; I131-I134 HydrophobicContact CG2-CG1 3.62Å; I134-F150 WeakPolarHBondContact CA-O 3.33Å; I134-V151 HydrophobicContact CG1-CG1 4.26Å; I134-V151 HydrophobicContact CG1-CG2 4.42Å; I134-V151 HydrophobicContact CG2-CG2 4.48Å
135	E	96.9	Very high	94.8	Very high	76 Å²	76	75.5 Å²	75.5	36%	0.355	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	103.2	-179.5	-64.8	174.9	85	0	0	110	K106 V133 M137 A149 F150	K106-E135 IonicContact NZ-OE2 2.79Å; K106-E135 PolarHBondContact NZ-OE2 2.69Å; V133-E135 HydrophobicContact CG1-CG 3.94Å; E135-M137 HydrophobicContact CB-SD 4.28Å; E135-A149 CarbonylContact O-C 3.54Å; E135-A149 WeakPolarHBondContact O-CA 3.42Å; E135-A149 WeakPolarHBondContact O-CB 3.41Å; E135-F150 HydrophobicContact CB-CB 4.46Å; E135-F150 PolarHBondContact N-O 2.81Å; E135-F150 PolarHBondContact O-N 3.09Å
136	I	96.6	Very high	94.6	Very high	37 Å²	37	81.6 Å²	81.6	19%	0.19	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.3	170.9	-60	-177	0	0	0	108.7	I112 T116 L121 T138 K145 A149	I112-I136 HydrophobicContact CD1-CG2 4.41Å; T116-I136 WeakPolarHBondContact O-CD1 3.26Å; L121-I136 HydrophobicContact CD1-CD1 3.95Å; L121-I136 HydrophobicContact CD1-CG1 3.78Å; I136-T138 PolarHBondContact O-N 2.88Å; I136-K145 HydrophobicContact CG2-CD 3.92Å; I136-K145 HydrophobicContact CG2-CG 3.97Å; I136-A149 HydrophobicContact CG1-CB 4.06Å
137	M	95.4	Very high	94.5	Very high	49 Å²	49	77.1 Å²	77.1	24%	0.241	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.4	-171	-58.9	-56.8	-59.2	0	0	110.4	E135 R146 F148 F150	E135-M137 HydrophobicContact CB-SD 4.28Å; M137-R146 WeakPolarHBondContact O-CB 3.4Å; M137-R146 PolarHBondContact O-N 2.68Å; M137-F148 HydrophobicContact CB-CD1 4.41Å; M137-F148 HydrophobicContact CB-CD2 3.95Å; M137-F148 HydrophobicContact CB-CE1 4.09Å; M137-F148 HydrophobicContact CB-CE2 3.65Å; M137-F148 HydrophobicContact CB-CG 4.35Å; M137-F148 HydrophobicContact CB-CZ 3.69Å; M137-F148 WeakPolarHBondContact CB-O 3.42Å; M137-F148 HydrophobicContact CG-CD2 3.63Å; M137-F148 HydrophobicContact CG-CE2 3.33Å; M137-F148 HydrophobicContact CG-CG 4.46Å; M137-F148 HydrophobicContact CG-CZ 3.88Å; M137-F148 PolarHBondContact N-O 2.75Å; M137-F150 HydrophobicContact CG-CD2 3.93Å; M137-F150 HydrophobicContact CG-CE2 3.96Å; M137-F150 HydrophobicContact SD-CD2 3.91Å; M137-F150 HydrophobicContact SD-CE2 4.11Å
138	T	94	Very high	94.5	Very high	67 Å²	67	72.6 Å²	72.6	41%	0.411	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	153.6	175.6	54.2	0	0	0	0	111.2	I136 K144 K145 R146	I136-T138 PolarHBondContact O-N 2.88Å; T138-K144 CarbonylContact C-O 3.5Å; T138-K144 VanDerWaalsContact CA-O 3.26Å; T138-K144 WeakPolarHBondContact CA-O 3.39Å; T138-K145 HydrophobicContact CG2-CG 4.01Å; T138-R146 WeakPolarHBondContact O-CD 3.39Å
139	D	90.3	Very high	94.6	Very high	73 Å²	73	70.1 Å²	70.1	39%	0.39	37%	0.373	S	S	.	.			trans	-72.5	129.9	169.6	175.9	-108.7	0	0	0	109.6	G141 S142 G143 K144 R146	D139-G141 PolarHBondContact O-N 2.72Å; D139-G141 PolarHBondContact OD1-N 2.73Å; D139-S142 WeakPolarHBondContact CB-OG 3.42Å; D139-S142 WeakPolarHBondContact OD1-CB 3.36Å; D139-S142 PolarHBondContact OD1-N 2.93Å; D139-S142 PolarHBondContact OD1-OG 3.49Å; D139-G143 VanDerWaalsContact O-CA 3.3Å; D139-G143 WeakPolarHBondContact O-CA 3.32Å; D139-G143 PolarHBondContact O-N 3.19Å; D139-K144 PolarHBondContact N-O 3.04Å; D139-R146 HydrophobicContact CB-CG 4.32Å
140	R	88.2	Confident	94.7	Very high	256 Å²	256	70.7 Å²	70.7	97%	0.966	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.9	-172.7	-69.2	-176.2	178.4	-174.4	-3.3	113.4
141	G	90.2	Very high	94.7	Very high	74 Å²	74	64.6 Å²	64.6	76%	0.763	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-53	179.8	0	0	0	0	0	112.1	D139	D139-G141 PolarHBondContact O-N 2.72Å; D139-G141 PolarHBondContact OD1-N 2.73Å
142	S	91.2	Very high	94.7	Very high	71 Å²	71	65.3 Å²	65.3	50%	0.497	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-15.6	-173.5	62.6	0	0	0	0	114.7	D139 K144	D139-S142 WeakPolarHBondContact CB-OG 3.42Å; D139-S142 WeakPolarHBondContact OD1-CB 3.36Å; D139-S142 PolarHBondContact OD1-N 2.93Å; D139-S142 PolarHBondContact OD1-OG 3.49Å; S142-K144 PolarHBondContact O-N 2.98Å; S142-K144 VanDerWaalsContact O-N 3.16Å; S142-K144 PolarHBondContact OG-N 2.89Å
143	G	89.5	Confident	94.7	Very high	50 Å²	50	60.7 Å²	60.7	52%	0.515	33%	0.326	S	S	.	.			trans	70.8	-2.1	-171.7	0	0	0	0	0	114.1	D139	D139-G143 VanDerWaalsContact O-CA 3.3Å; D139-G143 WeakPolarHBondContact O-CA 3.32Å; D139-G143 PolarHBondContact O-N 3.19Å
144	K	90.8	Very high	94.7	Very high	130 Å²	130	60.4 Å²	60.4	57%	0.565	32%	0.322	S	S	*	.			trans	-68.5	140.3	-178.6	-66.9	-172.2	176.9	-168.6	0	111.1	T138 D139 S142 R146	T138-K144 CarbonylContact C-O 3.5Å; T138-K144 VanDerWaalsContact CA-O 3.26Å; T138-K144 WeakPolarHBondContact CA-O 3.39Å; D139-K144 PolarHBondContact N-O 3.04Å; S142-K144 PolarHBondContact O-N 2.98Å; S142-K144 VanDerWaalsContact O-N 3.16Å; S142-K144 PolarHBondContact OG-N 2.89Å; K144-R146 PolarHBondContact O-N 2.8Å
145	K	93.4	Very high	94.7	Very high	56 Å²	56	61.3 Å²	61.3	24%	0.243	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	133.8	173.8	-66.9	177.9	-172	166.3	0	109.3	E114 T116 I136 T138 G147	E114-K145 VanDerWaalsContact O-CD 3.28Å; E114-K145 WeakPolarHBondContact O-CD 3.27Å; E114-K145 WeakPolarHBondContact O-CE 3.21Å; E114-K145 PolarHBondContact O-NZ 2.56Å; T116-K145 WeakPolarHBondContact O-CE 3.4Å; T116-K145 PolarHBondContact O-NZ 3.11Å; I136-K145 HydrophobicContact CG2-CD 3.92Å; I136-K145 HydrophobicContact CG2-CG 3.97Å; T138-K145 HydrophobicContact CG2-CG 4.01Å; K145-G147 PolarHBondContact O-N 3.33Å
146	R	93.9	Very high	94.7	Very high	127 Å²	127	58.6 Å²	58.6	48%	0.479	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	4.6	-176.6	-63.3	175.2	61	-167.5	-4.1	113.4	M137 T138 D139 K144 F148	M137-R146 WeakPolarHBondContact O-CB 3.4Å; M137-R146 PolarHBondContact O-N 2.68Å; T138-R146 WeakPolarHBondContact O-CD 3.39Å; D139-R146 HydrophobicContact CB-CG 4.32Å; K144-R146 PolarHBondContact O-N 2.8Å; R146-F148 HydrophobicContact CB-CD1 3.75Å; R146-F148 HydrophobicContact CB-CE1 3.47Å; R146-F148 VanDerWaalsContact CB-CE1 3.47Å; R146-F148 HydrophobicContact CB-CZ 4.46Å; R146-F148 HydrophobicContact CG-CE1 4.39Å; R146-F148 VanDerWaalsContact CZ-CZ 3.48Å; R146-F148 WeakPolarHBondContact O-CD1 3.23Å
147	G	94.8	Very high	94.7	Very high	23 Å²	23	56.9 Å²	56.9	24%	0.237	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.8	19.4	-178.9	0	0	0	0	0	114.9	G111 I112 K145	G111-G147 PolarHBondContact N-O 2.93Å; I112-G147 VanDerWaalsContact CG1-C 3.49Å; I112-G147 PolarHBondContact N-O 2.92Å; I112-G147 WeakPolarHBondContact O-CA 3.31Å; K145-G147 PolarHBondContact O-N 3.33Å
148	F	96.5	Very high	94.8	Very high	33 Å²	33	54.8 Å²	54.8	15%	0.145	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157	172.2	69.7	-83.7	0	0	0	112.6	F108 V109 M137 R146 F150	F108-F148 HydrophobicContact CD2-CB 4.49Å; F108-F148 AromaticContact CD2-CD2 3.98Å; F108-F148 HydrophobicContact CD2-CD2 3.98Å; F108-F148 HydrophobicContact CE2-CB 3.61Å; F108-F148 AromaticContact CE2-CD2 3.42Å; F108-F148 HydrophobicContact CE2-CD2 3.42Å; F108-F148 VanDerWaalsContact CE2-CD2 3.42Å; F108-F148 HydrophobicContact CE2-CE2 4.16Å; F108-F148 AromaticContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CZ-CB 3.78Å; F108-F148 HydrophobicContact CZ-CD2 4.4Å; F108-F148 HydrophobicContact CZ-CG 4.22Å; V109-F148 CarbonylContact O-C 3.55Å; V109-F148 WeakPolarHBondContact O-CA 3.44Å; V109-F148 WeakPolarHBondContact O-CB 3.24Å; M137-F148 HydrophobicContact CB-CD1 4.41Å; M137-F148 HydrophobicContact CB-CD2 3.95Å; M137-F148 HydrophobicContact CB-CE1 4.09Å; M137-F148 HydrophobicContact CB-CE2 3.65Å; M137-F148 HydrophobicContact CB-CG 4.35Å; M137-F148 HydrophobicContact CB-CZ 3.69Å; M137-F148 WeakPolarHBondContact CB-O 3.42Å; M137-F148 HydrophobicContact CG-CD2 3.63Å; M137-F148 HydrophobicContact CG-CE2 3.33Å; M137-F148 HydrophobicContact CG-CG 4.46Å; M137-F148 HydrophobicContact CG-CZ 3.88Å; M137-F148 PolarHBondContact N-O 2.75Å; R146-F148 HydrophobicContact CB-CD1 3.75Å; R146-F148 HydrophobicContact CB-CE1 3.47Å; R146-F148 VanDerWaalsContact CB-CE1 3.47Å; R146-F148 HydrophobicContact CB-CZ 4.46Å; R146-F148 HydrophobicContact CG-CE1 4.39Å; R146-F148 VanDerWaalsContact CZ-CZ 3.48Å; R146-F148 WeakPolarHBondContact O-CD1 3.23Å; F148-F150 HydrophobicContact CD2-CE2 4.09Å; F148-F150 HydrophobicContact CD2-CZ 4.45Å; F148-F150 AromaticContact CE2-CE2 3.75Å; F148-F150 HydrophobicContact CE2-CE2 3.75Å; F148-F150 HydrophobicContact CE2-CZ 4.18Å
149	A	97.9	Very high	94.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	167.3	176.7	0	0	0	0	0	111	V109 I112 L121 E135 I136	V109-A149 PolarHBondContact N-O 3.44Å; V109-A149 PolarHBondContact O-N 3.18Å; I112-A149 HydrophobicContact CD1-CB 3.66Å; L121-A149 HydrophobicContact CD1-CB 3.55Å; E135-A149 CarbonylContact O-C 3.54Å; E135-A149 WeakPolarHBondContact O-CA 3.42Å; E135-A149 WeakPolarHBondContact O-CB 3.41Å; I136-A149 HydrophobicContact CG1-CB 4.06Å
150	F	98.1	Very high	95.2	Very high	34 Å²	34	48.4 Å²	48.4	15%	0.149	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.3	164	-63.2	-85.3	0	0	0	110.6	K106 I107 F108 I134 E135 M137 F148 A180	K106-F150 HydrophobicContact CD-CB 4.33Å; K106-F150 HydrophobicContact CD-CD1 4.36Å; K106-F150 VanDerWaalsContact CE-CG 3.49Å; K106-F150 HydrophobicContact CG-CB 4.26Å; K106-F150 HydrophobicContact CG-CD1 4.29Å; I107-F150 VanDerWaalsContact O-CA 3.26Å; I107-F150 WeakPolarHBondContact O-CA 2.94Å; I107-F150 WeakPolarHBondContact O-CD1 3.5Å; F108-F150 HydrophobicContact CB-CD1 4.22Å; F108-F150 HydrophobicContact CB-CE1 3.96Å; F108-F150 AromaticContact CD2-CE1 3.86Å; F108-F150 HydrophobicContact CD2-CE1 3.86Å; F108-F150 HydrophobicContact CD2-CZ 4.02Å; F108-F150 HydrophobicContact CG-CE1 4.42Å; I134-F150 WeakPolarHBondContact CA-O 3.33Å; E135-F150 HydrophobicContact CB-CB 4.46Å; E135-F150 PolarHBondContact N-O 2.81Å; E135-F150 PolarHBondContact O-N 3.09Å; M137-F150 HydrophobicContact CG-CD2 3.93Å; M137-F150 HydrophobicContact CG-CE2 3.96Å; M137-F150 HydrophobicContact SD-CD2 3.91Å; M137-F150 HydrophobicContact SD-CE2 4.11Å; F148-F150 HydrophobicContact CD2-CE2 4.09Å; F148-F150 HydrophobicContact CD2-CZ 4.45Å; F148-F150 AromaticContact CE2-CE2 3.75Å; F148-F150 HydrophobicContact CE2-CE2 3.75Å; F148-F150 HydrophobicContact CE2-CZ 4.18Å; F150-A180 HydrophobicContact CD1-CB 3.88Å; F150-A180 HydrophobicContact CE1-CB 3.94Å
151	V	98.4	Very high	95.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.4	172.6	-176.9	0	0	0	0	107.6	K106 I107 V109 F125 I131 I134 F153	K106-V151 CarbonylContact C-O 3.47Å; K106-V151 WeakPolarHBondContact CA-O 3.46Å; I107-V151 HydrophobicContact CD1-CB 3.95Å; I107-V151 HydrophobicContact CD1-CG2 4.36Å; I107-V151 HydrophobicContact CG1-CB 3.68Å; I107-V151 HydrophobicContact CG1-CG2 4.39Å; I107-V151 WeakPolarHBondContact CG1-O 3.07Å; I107-V151 PolarHBondContact N-O 2.92Å; I107-V151 PolarHBondContact O-N 3Å; I107-V151 VanDerWaalsContact O-N 3.13Å; V109-V151 HydrophobicContact CG2-CG2 4.21Å; F125-V151 HydrophobicContact CB-CG1 4.46Å; F125-V151 HydrophobicContact CD2-CG2 3.91Å; F125-V151 HydrophobicContact CE2-CG2 4.26Å; I131-V151 HydrophobicContact CD1-CG1 4.11Å; I131-V151 HydrophobicContact CG1-CG1 4.06Å; I131-V151 HydrophobicContact CG2-CG1 3.86Å; I134-V151 HydrophobicContact CG1-CG1 4.26Å; I134-V151 HydrophobicContact CG1-CG2 4.42Å; I134-V151 HydrophobicContact CG2-CG2 4.48Å; V151-F153 HydrophobicContact CB-CE2 4.26Å; V151-F153 HydrophobicContact CG1-CD2 4.3Å; V151-F153 HydrophobicContact CG1-CE2 3.74Å; V151-F153 HydrophobicContact CG1-CZ 3.9Å
152	T	98.5	Very high	95.7	Very high	31 Å²	31	35.1 Å²	35.1	19%	0.19	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.5	178.4	-50.5	0	0	0	0	108.6	K105 E132 V133	K105-T152 CarbonylContact O-C 3.58Å; K105-T152 WeakPolarHBondContact O-CA 3.31Å; E132-T152 PolarHBondContact N-O 3.38Å; V133-T152 PolarHBondContact N-O 2.92Å; V133-T152 PolarHBondContact O-N 2.87Å
153	F	98.6	Very high	95.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	164	177.3	-66.9	-91.1	0	0	0	111.1	K105 I107 F125 K130 I131 V151 D155 V159 I162	K105-F153 WeakPolarHBondContact CB-O 3.16Å; K105-F153 PolarHBondContact O-N 2.95Å; I107-F153 HydrophobicContact CD1-CE2 3.84Å; I107-F153 HydrophobicContact CD1-CZ 4.42Å; I107-F153 HydrophobicContact CG1-CE2 4Å; F125-F153 HydrophobicContact CB-CE1 4.43Å; F125-F153 HydrophobicContact CB-CZ 3.91Å; F125-F153 HydrophobicContact CD1-CZ 4.45Å; F125-F153 HydrophobicContact CG-CZ 4.41Å; K130-F153 WeakPolarHBondContact O-CA 3.39Å; I131-F153 HydrophobicContact CG1-CD1 4.05Å; I131-F153 HydrophobicContact CG1-CE1 3.71Å; I131-F153 HydrophobicContact CG1-CZ 4.34Å; V151-F153 HydrophobicContact CB-CE2 4.26Å; V151-F153 HydrophobicContact CG1-CD2 4.3Å; V151-F153 HydrophobicContact CG1-CE2 3.74Å; V151-F153 HydrophobicContact CG1-CZ 3.9Å; F153-D155 VanDerWaalsContact C-N 3.31Å; F153-D155 WeakPolarHBondContact CB-O 3.44Å; F153-V159 HydrophobicContact CD2-CG2 3.88Å; F153-I162 HydrophobicContact CE1-CD1 4.19Å; F153-I162 HydrophobicContact CE2-CD1 3.58Å; F153-I162 HydrophobicContact CZ-CD1 3.29Å
154	D	97.4	Very high	95.9	Very high	62 Å²	62	33.3 Å²	33.3	33%	0.332	16%	0.161	S	C	.	.	S	Bend	trans	-71.1	-29.3	171	70.8	-27.3	0	0	0	112.5	K105 K130 E132	K105-D154 WeakPolarHBondContact CD-O 3.47Å; K105-D154 VanDerWaalsContact CE-O 3.25Å; K105-D154 WeakPolarHBondContact CE-O 3.45Å; K105-D154 PolarHBondContact NZ-O 3.48Å; K130-D154 HydrophobicContact CB-CB 4.37Å; K130-D154 HydrophobicContact CD-CB 4.42Å; K130-D154 PolarHBondContact O-N 3.02Å; E132-D154 HydrophobicContact CG-CB 4.01Å
155	D	97.2	Very high	95.8	Very high	36 Å²	36	32.2 Å²	32.2	19%	0.193	16%	0.158	C	C	.	.	S	Bend	trans	-130.2	150.4	-175.9	-173.8	29.1	0	0	0	113.3	R75 F153 D157	R75-D155 IonicContact CZ-OD1 3.88Å; R75-D155 IonicContact CZ-OD2 2.73Å; R75-D155 VanDerWaalsContact CZ-OD2 3.3Å; R75-D155 IonicContact NH1-OD1 2.56Å; R75-D155 PolarHBondContact NH1-OD1 2.95Å; R75-D155 IonicContact NH1-OD2 3.85Å; R75-D155 PolarHBondContact NH1-OD2 2.86Å; R75-D155 VanDerWaalsContact NH1-OD2 3.08Å; R75-D155 IonicContact NH2-OD1 2.94Å; R75-D155 IonicContact NH2-OD2 3.67Å; R75-D155 PolarHBondContact NH2-OD2 3.1Å; F153-D155 VanDerWaalsContact C-N 3.31Å; F153-D155 WeakPolarHBondContact CB-O 3.44Å; D155-D157 WeakPolarHBondContact OD2-CB 3.27Å; D155-D157 PolarHBondContact OD2-N 3.49Å
156	H	96.8	Very high	95.7	Very high	19 Å²	19	32.3 Å²	32.3	9%	0.088	16%	0.158	C	C	.	.	H	α-helix	trans	-76.7	-24.2	178.8	72.5	84.3	0	0	0	112.9	R75 T103 V104 K105 S158 V159 D160	R75-H156 PolarHBondContact NH1-CD2 3.3Å; R75-H156 PolarHBondContact NH1-CE1 2.85Å; R75-H156 PolarHBondContact NH1-NE2 3.47Å; T103-H156 HydrophobicContact CG2-CB 3.67Å; T103-H156 VanDerWaalsContact CG2-CG 3.48Å; V104-H156 WeakPolarHBondContact O-CB 3.34Å; K105-H156 HydrophobicContact CG-CB 4.42Å; H156-S158 PolarHBondContact O-N 3.26Å; H156-V159 WeakPolarHBondContact O-CA 3.5Å; H156-V159 WeakPolarHBondContact O-CB 3.34Å; H156-V159 PolarHBondContact O-N 3.13Å; H156-D160 IonicContact CE1-OD2 2.66Å; H156-D160 IonicContact ND1-OD2 2.88Å; H156-D160 PolarHBondContact ND1-OD2 2.83Å; H156-D160 PolarHBondContact O-N 3.49Å
157	D	97.3	Very high	95.8	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.011	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-36.7	178.5	-175.3	45.8	0	0	0	111.2	M72 R88 D155 V159 D160 K161	M72-D157 HydrophobicContact CE-CB 3.73Å; M72-D157 VanDerWaalsContact CE-OD1 3.27Å; M72-D157 WeakPolarHBondContact CE-OD1 3.08Å; R88-D157 IonicContact CZ-OD1 2.78Å; R88-D157 IonicContact CZ-OD2 3.03Å; R88-D157 IonicContact NE-OD1 3.72Å; R88-D157 PolarHBondContact NE-OD1 2.94Å; R88-D157 IonicContact NH2-OD1 3.52Å; R88-D157 PolarHBondContact NH2-OD1 2.82Å; R88-D157 IonicContact NH2-OD2 3.46Å; R88-D157 PolarHBondContact NH2-OD2 3.42Å; D155-D157 WeakPolarHBondContact OD2-CB 3.27Å; D155-D157 PolarHBondContact OD2-N 3.49Å; D157-V159 VanDerWaalsContact C-N 3.3Å; D157-V159 PolarHBondContact O-N 2.85Å; D157-D160 PolarHBondContact O-N 3.31Å; D157-K161 WeakPolarHBondContact O-CB 3.38Å; D157-K161 WeakPolarHBondContact O-CG 3.29Å; D157-K161 PolarHBondContact O-N 3.27Å; D157-K161 WeakPolarHBondContact OD2-CE 3.11Å; D157-K161 IonicContact OD2-NZ 2.95Å; D157-K161 PolarHBondContact OD2-NZ 2.99Å
158	S	97.3	Very high	95.9	Very high	5 Å²	5	30 Å²	30	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-56.1	-46.6	172.7	-46.7	0	0	0	0	110.9	Y128 H156 I162	Y128-S158 PolarHBondContact O-OG 3.46Å; H156-S158 PolarHBondContact O-N 3.26Å; S158-I162 VanDerWaalsContact O-CD1 3.26Å; S158-I162 WeakPolarHBondContact O-CD1 3.41Å; S158-I162 WeakPolarHBondContact O-CG1 3.12Å; S158-I162 PolarHBondContact O-N 2.72Å; S158-I162 VanDerWaalsContact O-N 3.13Å
159	V	97.4	Very high	95.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-47.9	176.9	174.9	0	0	0	0	111.2	V104 K105 I107 F153 H156 D157 K161 I162 V163 K179	V104-V159 HydrophobicContact CG2-CG1 4.03Å; V104-V159 WeakPolarHBondContact O-CB 3.39Å; V104-V159 WeakPolarHBondContact O-CG2 3.22Å; K105-V159 VanDerWaalsContact C-CG2 3.46Å; I107-V159 HydrophobicContact CG2-CB 4.12Å; I107-V159 HydrophobicContact CG2-CG1 3.57Å; I107-V159 HydrophobicContact CG2-CG2 3.97Å; F153-V159 HydrophobicContact CD2-CG2 3.88Å; H156-V159 WeakPolarHBondContact O-CA 3.5Å; H156-V159 WeakPolarHBondContact O-CB 3.34Å; H156-V159 PolarHBondContact O-N 3.13Å; D157-V159 VanDerWaalsContact C-N 3.3Å; D157-V159 PolarHBondContact O-N 2.85Å; V159-K161 VanDerWaalsContact C-N 3.31Å; V159-K161 PolarHBondContact O-N 3.47Å; V159-I162 PolarHBondContact O-N 3.37Å; V159-V163 HydrophobicContact CG1-CG1 4.17Å; V159-V163 WeakPolarHBondContact O-CG1 3.42Å; V159-V163 WeakPolarHBondContact O-CG2 3.45Å; V159-V163 PolarHBondContact O-N 3.09Å; V159-K179 HydrophobicContact CG1-CG 3.92Å
160	D	95.3	Very high	95.9	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.032	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-39	-178.6	-70.7	-32.7	0	0	0	111.4	R88 H156 D157 I164 K179	R88-D160 HydrophobicContact CB-CB 3.95Å; R88-D160 HydrophobicContact CG-CB 3.74Å; H156-D160 IonicContact CE1-OD2 2.66Å; H156-D160 IonicContact ND1-OD2 2.88Å; H156-D160 PolarHBondContact ND1-OD2 2.83Å; H156-D160 PolarHBondContact O-N 3.49Å; D157-D160 PolarHBondContact O-N 3.31Å; D160-I164 WeakPolarHBondContact O-CD1 3.31Å; D160-I164 WeakPolarHBondContact O-CG1 3.39Å; D160-K179 WeakPolarHBondContact OD1-CE 3.43Å; D160-K179 IonicContact OD1-NZ 3.36Å; D160-K179 PolarHBondContact OD1-NZ 3.19Å
161	K	94.3	Very high	95.7	Very high	50 Å²	50	33.8 Å²	33.8	22%	0.217	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-46.9	173	-84	-174.6	-92.2	-151.3	0	112.4	D69 R88 Y128 D157 V159	D69-K161 IonicContact OD1-NZ 2.93Å; D69-K161 PolarHBondContact OD1-NZ 3.44Å; R88-K161 HydrophobicContact CG-CG 4.45Å; Y128-K161 HydrophobicContact CD1-CB 4.27Å; D157-K161 WeakPolarHBondContact O-CB 3.38Å; D157-K161 WeakPolarHBondContact O-CG 3.29Å; D157-K161 PolarHBondContact O-N 3.27Å; D157-K161 WeakPolarHBondContact OD2-CE 3.11Å; D157-K161 IonicContact OD2-NZ 2.95Å; D157-K161 PolarHBondContact OD2-NZ 2.99Å; V159-K161 VanDerWaalsContact C-N 3.31Å; V159-K161 PolarHBondContact O-N 3.47Å
162	I	95.7	Very high	95.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-50.5	-176.7	-68.4	162.5	0	0	0	110.5	I107 F125 Y128 F153 S158 V159 I164 Q165 H168 V177	I107-I162 HydrophobicContact CD1-CD1 4.1Å; I107-I162 HydrophobicContact CD1-CG2 4.3Å; F125-I162 HydrophobicContact CD1-CD1 3.8Å; F125-I162 HydrophobicContact CD1-CG1 4.41Å; F125-I162 HydrophobicContact CE1-CD1 4.29Å; F125-I162 HydrophobicContact CE1-CG2 3.97Å; Y128-I162 HydrophobicContact CD1-CG1 3.6Å; Y128-I162 HydrophobicContact CD2-CD1 4.01Å; Y128-I162 HydrophobicContact CD2-CG1 3.68Å; Y128-I162 HydrophobicContact CE1-CG1 4.02Å; Y128-I162 HydrophobicContact CE2-CG1 4.08Å; Y128-I162 HydrophobicContact CG-CD1 3.89Å; Y128-I162 HydrophobicContact CG-CG1 3.42Å; Y128-I162 VanDerWaalsContact CG-CG1 3.42Å; F153-I162 HydrophobicContact CE1-CD1 4.19Å; F153-I162 HydrophobicContact CE2-CD1 3.58Å; F153-I162 HydrophobicContact CZ-CD1 3.29Å; S158-I162 VanDerWaalsContact O-CD1 3.26Å; S158-I162 WeakPolarHBondContact O-CD1 3.41Å; S158-I162 WeakPolarHBondContact O-CG1 3.12Å; S158-I162 PolarHBondContact O-N 2.72Å; S158-I162 VanDerWaalsContact O-N 3.13Å; V159-I162 PolarHBondContact O-N 3.37Å; I162-I164 PolarHBondContact O-N 3.11Å; I162-I164 VanDerWaalsContact O-N 3.09Å; I162-Q165 PolarHBondContact O-N 3.31Å; I162-H168 PolarHBondContact O-NE2 2.87Å; I162-V177 HydrophobicContact CG2-CB 4.18Å; I162-V177 HydrophobicContact CG2-CG1 3.51Å
163	V	94.3	Very high	95.3	Very high	29 Å²	29	38 Å²	38	18%	0.176	21%	0.206	C	C	.	.	H	α-helix	trans	-71.7	-8.5	-169.6	-59.8	0	0	0	0	114.8	I107 V159 V177 K179	I107-V163 HydrophobicContact CG2-CG1 4.22Å; V159-V163 HydrophobicContact CG1-CG1 4.17Å; V159-V163 WeakPolarHBondContact O-CG1 3.42Å; V159-V163 WeakPolarHBondContact O-CG2 3.45Å; V159-V163 PolarHBondContact O-N 3.09Å; V163-V177 HydrophobicContact CG1-CG1 4.41Å; V163-K179 HydrophobicContact CG1-CG 4.07Å; V163-K179 HydrophobicContact CG2-CG 4.31Å
164	I	90.1	Very high	95.2	Very high	55 Å²	55	42.5 Å²	42.5	28%	0.282	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-38.4	169.2	-64.5	159.9	0	0	0	109.7	L13 R88 D160 I162	L13-I164 HydrophobicContact CD2-CB 4.37Å; L13-I164 HydrophobicContact CD2-CD1 3.94Å; L13-I164 HydrophobicContact CD2-CG2 3.56Å; R88-I164 HydrophobicContact CB-CD1 4.25Å; R88-I164 HydrophobicContact CG-CD1 4.46Å; D160-I164 WeakPolarHBondContact O-CD1 3.31Å; D160-I164 WeakPolarHBondContact O-CG1 3.39Å; I162-I164 PolarHBondContact O-N 3.11Å; I162-I164 VanDerWaalsContact O-N 3.09Å
165	Q	89.6	Confident	95.1	Very high	106 Å²	106	39.6 Å²	39.6	50%	0.495	22%	0.215	S	C	.	.	S	Bend	trans	-90.7	118.9	170.3	-178.3	169.1	-19.6	0	0	109	I162 Y167 H168	I162-Q165 PolarHBondContact O-N 3.31Å; Q165-Y167 VanDerWaalsContact CG-O 3.26Å; Q165-Y167 WeakPolarHBondContact CG-O 3.46Å; Q165-Y167 PolarHBondContact NE2-O 3.24Å; Q165-H168 PolarHBondContact O-NE2 2.96Å
166	K	90.8	Very high	95.1	Very high	59 Å²	59	39.8 Å²	39.8	26%	0.257	21%	0.214	S	C	.	.	S	Bend	trans	-71.1	-35.5	-177.3	-173.9	-178.9	177.2	-161	0	112.9	E176 V177	K166-E176 VanDerWaalsContact CE-CD 3.41Å; K166-E176 WeakPolarHBondContact CE-OE1 3.1Å; K166-E176 HydrophobicContact CG-CG 4.22Å; K166-E176 IonicContact NZ-OE1 3.7Å; K166-E176 WeakPolarHBondContact O-CA 3.23Å; K166-V177 PolarHBondContact O-N 2.67Å
167	Y	95.8	Very high	95	Very high	102 Å²	102	39 Å²	39	40%	0.4	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.8	-170.1	-67.5	-67	0	0	0	110.7	Q165 N174 C175 E176	Q165-Y167 VanDerWaalsContact CG-O 3.26Å; Q165-Y167 WeakPolarHBondContact CG-O 3.46Å; Q165-Y167 PolarHBondContact NE2-O 3.24Å; Y167-N174 WeakPolarHBondContact CB-OD1 3.49Å; Y167-C175 CarbonylContact C-O 3.54Å; Y167-C175 VanDerWaalsContact CA-O 3.3Å; Y167-C175 WeakPolarHBondContact CA-O 3.26Å; Y167-E176 HydrophobicContact CD1-CB 4.19Å; Y167-E176 HydrophobicContact CE1-CB 4.01Å; Y167-E176 HydrophobicContact CE1-CG 4.28Å
168	H	97.3	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149	180	-65.4	-96.7	0	0	0	109.5	Y124 I162 Q165 V170 N174 C175 V177	Y124-H168 HydrophobicContact CE1-CB 3.72Å; Y124-H168 AromaticContact CE1-CG 3.89Å; Y124-H168 AromaticContact CE1-ND1 3.54Å; Y124-H168 AromaticContact CZ-ND1 3.63Å; Y124-H168 PolarHBondContact OH-ND1 3.37Å; I162-H168 PolarHBondContact O-NE2 2.87Å; Q165-H168 PolarHBondContact O-NE2 2.96Å; H168-V170 HydrophobicContact CB-CG2 4.48Å; H168-N174 CarbonylContact O-C 3.47Å; H168-N174 WeakPolarHBondContact O-CA 3.33Å; H168-N174 PolarHBondContact O-OD1 3.25Å; H168-C175 PolarHBondContact N-O 3.45Å; H168-C175 PolarHBondContact O-N 3.14Å; H168-C175 PolarHBondContact O-SG 3.17Å; H168-V177 HydrophobicContact CB-CG2 4.35Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.18Å
169	T	96.9	Very high	94.8	Very high	87 Å²	87	45.3 Å²	45.3	53%	0.534	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	111.2	173.9	-58.8	0	0	0	0	108.9	Y124 H173	Y124-T169 WeakPolarHBondContact CE2-O 3.29Å; T169-H173 CarbonylContact C-O 3.48Å; T169-H173 WeakPolarHBondContact CA-O 3.06Å
170	V	96.5	Very high	94.8	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.6	179.7	-178.1	0	0	0	0	108.6	H120 L121 Y124 F125 H168 G172 H173	H120-V170 HydrophobicContact CB-CG1 4.31Å; H120-V170 WeakPolarHBondContact O-CG1 3.46Å; L121-V170 HydrophobicContact CD2-CG1 4.12Å; Y124-V170 HydrophobicContact CD1-CG2 3.51Å; Y124-V170 HydrophobicContact CD2-CG2 4.31Å; Y124-V170 HydrophobicContact CE1-CG2 3.95Å; Y124-V170 HydrophobicContact CG-CG2 3.71Å; F125-V170 HydrophobicContact CE2-CG2 4.39Å; F125-V170 HydrophobicContact CZ-CG2 4.43Å; H168-V170 HydrophobicContact CB-CG2 4.48Å; V170-G172 PolarHBondContact O-N 3.27Å; V170-H173 PolarHBondContact N-O 3Å; V170-H173 PolarHBondContact O-N 3.42Å
171	N	94.9	Very high	94.6	Very high	56 Å²	56	47.3 Å²	47.3	30%	0.299	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	37.8	-175.7	-168.2	33	0	0	0	113.1	D115 H120 H173	D115-N171 PolarHBondContact OD1-ND2 2.9Å; D115-N171 VanDerWaalsContact OD1-ND2 3.16Å; D115-N171 PolarHBondContact OD2-ND2 3.35Å; H120-N171 HydrophobicContact CB-CB 4.08Å; H120-N171 PolarHBondContact ND1-ND2 3.47Å; N171-H173 PolarHBondContact O-CD2 2.81Å; N171-H173 PolarHBondContact O-N 3.45Å; N171-H173 PolarHBondContact O-NE2 2.64Å
172	G	94.6	Very high	94.3	Very high	70 Å²	70	47.5 Å²	47.5	72%	0.722	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	0.7	-176.3	0	0	0	0	0	115.4	V170	V170-G172 PolarHBondContact O-N 3.27Å
173	H	93.8	Very high	93.9	Very high	48 Å²	48	56.2 Å²	56.2	22%	0.222	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.9	-178.7	-56.1	-62.7	0	0	0	111.3	K113 D115 T169 V170 N171 C175	K113-H173 HydrophobicContact CG-CB 4.28Å; K113-H173 WeakPolarHBondContact CG-ND1 3.33Å; D115-H173 IonicContact OD1-CD2 3.6Å; D115-H173 IonicContact OD1-NE2 3.25Å; D115-H173 PolarHBondContact OD1-NE2 3.35Å; D115-H173 IonicContact OD2-CD2 3.94Å; D115-H173 IonicContact OD2-CE1 3.83Å; D115-H173 IonicContact OD2-NE2 2.93Å; D115-H173 PolarHBondContact OD2-NE2 2.94Å; T169-H173 CarbonylContact C-O 3.48Å; T169-H173 WeakPolarHBondContact CA-O 3.06Å; V170-H173 PolarHBondContact N-O 3Å; V170-H173 PolarHBondContact O-N 3.42Å; N171-H173 PolarHBondContact O-CD2 2.81Å; N171-H173 PolarHBondContact O-N 3.45Å; N171-H173 PolarHBondContact O-NE2 2.64Å; H173-C175 PolarHBondContact O-N 3Å
174	N	95.4	Very high	93.5	Very high	98 Å²	98	62.8 Å²	62.8	52%	0.524	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	114.7	173.5	-168.5	45.4	0	0	0	110.2	Y167 H168	Y167-N174 WeakPolarHBondContact CB-OD1 3.49Å; H168-N174 CarbonylContact O-C 3.47Å; H168-N174 WeakPolarHBondContact O-CA 3.33Å; H168-N174 PolarHBondContact O-OD1 3.25Å
175	C	96.2	Very high	93.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	148.9	178.4	66.1	0	0	0	0	111.3	V109 G110 I112 Y167 H168 H173	V109-C175 HydrophobicContact CG1-CB 3.98Å; G110-C175 CarbonylContact O-C 3.55Å; G110-C175 WeakPolarHBondContact O-CA 3.37Å; G110-C175 WeakPolarHBondContact O-CB 3.33Å; I112-C175 HydrophobicContact CG2-CB 4.01Å; Y167-C175 CarbonylContact C-O 3.54Å; Y167-C175 VanDerWaalsContact CA-O 3.3Å; Y167-C175 WeakPolarHBondContact CA-O 3.26Å; H168-C175 PolarHBondContact N-O 3.45Å; H168-C175 PolarHBondContact O-N 3.14Å; H168-C175 PolarHBondContact O-SG 3.17Å; H173-C175 PolarHBondContact O-N 3Å
176	E	96.2	Very high	93.1	Very high	40 Å²	40	62.6 Å²	62.6	19%	0.187	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128	174.8	-179.9	169	172.4	0	0	109.7	G110 K166 Y167 R178	G110-E176 PolarHBondContact N-O 2.81Å; G110-E176 PolarHBondContact O-N 2.88Å; K166-E176 VanDerWaalsContact CE-CD 3.41Å; K166-E176 WeakPolarHBondContact CE-OE1 3.1Å; K166-E176 HydrophobicContact CG-CG 4.22Å; K166-E176 IonicContact NZ-OE1 3.7Å; K166-E176 WeakPolarHBondContact O-CA 3.23Å; Y167-E176 HydrophobicContact CD1-CB 4.19Å; Y167-E176 HydrophobicContact CE1-CB 4.01Å; Y167-E176 HydrophobicContact CE1-CG 4.28Å; E176-R178 HydrophobicContact CG-CG 4.5Å; E176-R178 IonicContact OE1-CZ 3.08Å; E176-R178 IonicContact OE1-NE 2.76Å; E176-R178 PolarHBondContact OE1-NE 3Å; E176-R178 IonicContact OE1-NH2 2.73Å; E176-R178 PolarHBondContact OE1-NH2 3.11Å
177	V	96.5	Very high	93	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.6	179.4	-174.8	0	0	0	0	111.2	I107 F108 V109 F125 I162 V163 K166 H168	I107-V177 HydrophobicContact CB-CG1 3.9Å; I107-V177 HydrophobicContact CD1-CG1 3.86Å; I107-V177 HydrophobicContact CG1-CG1 4.43Å; I107-V177 HydrophobicContact CG2-CG1 4.07Å; F108-V177 WeakPolarHBondContact O-CA 3.17Å; V109-V177 HydrophobicContact CG1-CG2 4.25Å; V109-V177 HydrophobicContact CG2-CG2 4.3Å; F125-V177 HydrophobicContact CE1-CG2 4.33Å; F125-V177 HydrophobicContact CZ-CG2 3.96Å; I162-V177 HydrophobicContact CG2-CB 4.18Å; I162-V177 HydrophobicContact CG2-CG1 3.51Å; V163-V177 HydrophobicContact CG1-CG1 4.41Å; K166-V177 PolarHBondContact O-N 2.67Å; H168-V177 HydrophobicContact CB-CG2 4.35Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.18Å
178	R	94.4	Very high	92.3	Very high	118 Å²	118	60.9 Å²	60.9	45%	0.445	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	161.3	176.5	-64.2	-174.7	173.1	-172.2	-0.5	111	I107 F108 E176 A180	I107-R178 CarbonylContact C-O 3.57Å; I107-R178 WeakPolarHBondContact CA-O 3.47Å; F108-R178 PolarHBondContact N-O 2.93Å; F108-R178 PolarHBondContact O-N 3.35Å; E176-R178 HydrophobicContact CG-CG 4.5Å; E176-R178 IonicContact OE1-CZ 3.08Å; E176-R178 IonicContact OE1-NE 2.76Å; E176-R178 PolarHBondContact OE1-NE 3Å; E176-R178 IonicContact OE1-NH2 2.73Å; E176-R178 PolarHBondContact OE1-NH2 3.11Å; R178-A180 PolarHBondContact O-N 3.37Å
179	K	96.2	Very high	91.5	Very high	22 Å²	22	61.9 Å²	61.9	10%	0.096	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	129.9	164.7	-71.2	-171.9	173.3	-175.7	0	109.5	A100 L102 V104 V159 D160 V163 L181	A100-K179 PolarHBondContact O-NZ 3.35Å; L102-K179 PolarHBondContact O-NZ 3.43Å; V104-K179 HydrophobicContact CG2-CB 3.73Å; V104-K179 HydrophobicContact CG2-CD 4Å; V104-K179 HydrophobicContact CG2-CG 3.8Å; V159-K179 HydrophobicContact CG1-CG 3.92Å; D160-K179 WeakPolarHBondContact OD1-CE 3.43Å; D160-K179 IonicContact OD1-NZ 3.36Å; D160-K179 PolarHBondContact OD1-NZ 3.19Å; V163-K179 HydrophobicContact CG1-CG 4.07Å; V163-K179 HydrophobicContact CG2-CG 4.31Å; K179-L181 PolarHBondContact O-N 3.38Å
180	A	95.7	Very high	90.1	Very high	12 Å²	12	61.3 Å²	61.3	10%	0.099	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-72.7	121.4	177.5	0	0	0	0	0	109.6	K106 F150 R178	K106-A180 HydrophobicContact CB-CB 3.89Å; K106-A180 HydrophobicContact CD-CB 4.27Å; K106-A180 HydrophobicContact CG-CB 3.72Å; K106-A180 VanDerWaalsContact O-CB 3.22Å; K106-A180 WeakPolarHBondContact O-CB 3.49Å; K106-A180 PolarHBondContact O-N 3.36Å; F150-A180 HydrophobicContact CD1-CB 3.88Å; F150-A180 HydrophobicContact CE1-CB 3.94Å; R178-A180 PolarHBondContact O-N 3.37Å
181	L	92.1	Very high	88.4	Confident	37 Å²	37	64.8 Å²	64.8	19%	0.194	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-92.4	143.1	173.4	-59.5	-177.5	0	0	0	109.5	P98 L102 K179 E185 M186	P98-L181 HydrophobicContact CB-CD1 4.37Å; L102-L181 HydrophobicContact CD1-CD2 3.69Å; K179-L181 PolarHBondContact O-N 3.38Å; L181-E185 HydrophobicContact CB-CB 3.93Å; L181-E185 HydrophobicContact CD2-CB 4.45Å; L181-M186 HydrophobicContact CB-CG 3.63Å; L181-M186 HydrophobicContact CD1-CG 4.4Å
182	S	88.2	Confident	86.6	Confident	53 Å²	53	66.4 Å²	66.4	37%	0.371	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-61.1	160.6	167.6	68.6	0	0	0	0	110.7	Q184 E185 M186	S182-Q184 PolarHBondContact O-N 3.32Å; S182-E185 WeakPolarHBondContact CB-OE2 3.37Å; S182-E185 PolarHBondContact N-OE2 3.17Å; S182-E185 PolarHBondContact O-N 3.15Å; S182-E185 VanDerWaalsContact O-N 3.13Å; S182-E185 WeakPolarHBondContact OG-CB 3.41Å; S182-E185 VanDerWaalsContact OG-CD 3.28Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.28Å; S182-E185 PolarHBondContact OG-N 3.09Å; S182-E185 PolarHBondContact OG-OE2 3.34Å; S182-M186 WeakPolarHBondContact O-CG 3.39Å; S182-M186 PolarHBondContact O-N 3.36Å
183	K	86.8	Confident	84.5	Confident	184 Å²	184	71.3 Å²	71.3	80%	0.8	39%	0.386	S	S	*	.	H	α-helix	trans	-56.1	-35.3	176.5	-68.3	-178.2	-179.5	176.9	0	112.4	M186 A187	K183-M186 HydrophobicContact CG-CE 4.48Å; K183-A187 WeakPolarHBondContact O-CB 3.27Å; K183-A187 PolarHBondContact O-N 2.8Å
184	Q	86.6	Confident	82.4	Confident	166 Å²	166	80.2 Å²	80.2	78%	0.776	42%	0.417	S	S	*	.	H	α-helix	trans	-69.3	-44.2	177.9	-69.2	177.3	-10.5	0	0	111.4	S182 A187 S188	S182-Q184 PolarHBondContact O-N 3.32Å; Q184-A187 PolarHBondContact O-N 3.02Å; Q184-S188 PolarHBondContact O-N 3.26Å; Q184-S188 PolarHBondContact O-OG 3.02Å
185	E	86.4	Confident	79.9	Confident	66 Å²	66	78.9 Å²	78.9	31%	0.308	43%	0.427	S	S	.	.	H	α-helix	trans	-66	-36.8	176	-70.8	162.9	135.2	0	0	112.2	L102 L181 S182 S188 A189	L102-E185 VanDerWaalsContact CD1-OE1 3.27Å; L102-E185 WeakPolarHBondContact CD1-OE1 2.93Å; L181-E185 HydrophobicContact CB-CB 3.93Å; L181-E185 HydrophobicContact CD2-CB 4.45Å; S182-E185 WeakPolarHBondContact CB-OE2 3.37Å; S182-E185 PolarHBondContact N-OE2 3.17Å; S182-E185 PolarHBondContact O-N 3.15Å; S182-E185 VanDerWaalsContact O-N 3.13Å; S182-E185 WeakPolarHBondContact OG-CB 3.41Å; S182-E185 VanDerWaalsContact OG-CD 3.28Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.28Å; S182-E185 PolarHBondContact OG-N 3.09Å; S182-E185 PolarHBondContact OG-OE2 3.34Å; E185-S188 WeakPolarHBondContact CA-OG 3.33Å; E185-S188 PolarHBondContact O-N 3.38Å; E185-S188 PolarHBondContact O-OG 2.69Å; E185-A189 WeakPolarHBondContact O-CB 3.39Å; E185-A189 PolarHBondContact O-N 2.73Å
186	M	85.3	Confident	77.6	Confident	91 Å²	91	90.8 Å²	90.8	45%	0.448	47%	0.472	S	S	.	.	H	α-helix	trans	-65.3	-40.2	172.9	-72.4	-161.9	-72.1	0	0	112	L181 S182 K183 S190	L181-M186 HydrophobicContact CB-CG 3.63Å; L181-M186 HydrophobicContact CD1-CG 4.4Å; S182-M186 WeakPolarHBondContact O-CG 3.39Å; S182-M186 PolarHBondContact O-N 3.36Å; K183-M186 HydrophobicContact CG-CE 4.48Å; M186-S190 WeakPolarHBondContact O-CB 3.42Å; M186-S190 PolarHBondContact O-N 3.34Å; M186-S190 PolarHBondContact O-OG 2.91Å
187	A	87	Confident	75.1	Confident	60 Å²	60	94.2 Å²	94.2	50%	0.496	50%	0.501	S	S	.	.	H	α-helix	trans	-65.4	-41.8	177.4	0	0	0	0	0	111.7	K183 Q184 S190 S191	K183-A187 WeakPolarHBondContact O-CB 3.27Å; K183-A187 PolarHBondContact O-N 2.8Å; Q184-A187 PolarHBondContact O-N 3.02Å; A187-S190 PolarHBondContact O-N 3.21Å; A187-S191 PolarHBondContact O-N 3.17Å; A187-S191 PolarHBondContact O-OG 2.86Å
188	S	82.7	Confident	72.6	Confident	66 Å²	66	97.4 Å²	97.4	46%	0.462	53%	0.533	S	S	.	.	H	α-helix	trans	-71.7	-34.8	177.4	64.2	0	0	0	0	113.2	Q184 E185 S190 S191 S192	Q184-S188 PolarHBondContact O-N 3.26Å; Q184-S188 PolarHBondContact O-OG 3.02Å; E185-S188 WeakPolarHBondContact CA-OG 3.33Å; E185-S188 PolarHBondContact O-N 3.38Å; E185-S188 PolarHBondContact O-OG 2.69Å; S188-S190 VanDerWaalsContact C-N 3.28Å; S188-S190 PolarHBondContact O-N 2.89Å; S188-S191 PolarHBondContact O-OG 3.49Å; S188-S191 VanDerWaalsContact O-OG 3.08Å; S188-S192 PolarHBondContact O-N 3.4Å; S188-S192 PolarHBondContact O-OG 3.21Å
189	A	78.7	Confident	70.3	Confident	20 Å²	20	98 Å²	98	17%	0.165	56%	0.555	C	S	.	*	H	α-helix	trans	-64.8	-33.2	172	0	0	0	0	0	112.2	P98 E185 S192	P98-A189 HydrophobicContact CB-CB 3.64Å; P98-A189 HydrophobicContact CG-CB 3.9Å; E185-A189 WeakPolarHBondContact O-CB 3.39Å; E185-A189 PolarHBondContact O-N 2.73Å; A189-S192 PolarHBondContact O-OG 3.38Å
190	S	69.1	Low	67.7	Low	75 Å²	75	100.4 Å²	100.4	52%	0.524	59%	0.587	S	S	.	*	H	α-helix	trans	-80.7	-32.8	179.3	-56.3	0	0	0	0	112.7	M186 A187 S188	M186-S190 WeakPolarHBondContact O-CB 3.42Å; M186-S190 PolarHBondContact O-N 3.34Å; M186-S190 PolarHBondContact O-OG 2.91Å; A187-S190 PolarHBondContact O-N 3.21Å; S188-S190 VanDerWaalsContact C-N 3.28Å; S188-S190 PolarHBondContact O-N 2.89Å
191	S	60.3	Low	65	Low	76 Å²	76	106.3 Å²	106.3	53%	0.531	62%	0.617	S	S	.	*	H	α-helix	trans	-72.7	-31.1	179	64.4	0	0	0	0	112.8	A187 S188 Q193 R194	A187-S191 PolarHBondContact O-N 3.17Å; A187-S191 PolarHBondContact O-OG 2.86Å; S188-S191 PolarHBondContact O-OG 3.49Å; S188-S191 VanDerWaalsContact O-OG 3.08Å; S191-Q193 PolarHBondContact O-N 2.83Å; S191-R194 PolarHBondContact O-N 2.85Å; S191-R194 VanDerWaalsContact O-N 3.12Å
192	S	55.9	Low	62.5	Low	90 Å²	90	113.6 Å²	113.6	63%	0.629	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-17.7	177.2	43.5	0	0	0	0	114	S188 A189	S188-S192 PolarHBondContact O-N 3.4Å; S188-S192 PolarHBondContact O-OG 3.21Å; A189-S192 PolarHBondContact O-OG 3.38Å
193	Q	52	Low	60.1	Low	174 Å²	174	114.7 Å²	114.7	81%	0.813	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-15.8	171.9	-75.6	-175.2	-29.3	0	0	114.3	S191	S191-Q193 PolarHBondContact O-N 2.83Å
194	R	48.1	Very low	57.6	Low	234 Å²	234	110.2 Å²	110.2	88%	0.883	67%	0.673	S	S	*	*	S	Bend	trans	-99.8	4.5	-178.2	-77.1	-174.6	175.1	169	-0.6	114.8	S191	S191-R194 PolarHBondContact O-N 2.85Å; S191-R194 VanDerWaalsContact O-N 3.12Å
195	G	44.2	Very low	55.2	Low	71 Å²	71	106.1 Å²	106.1	73%	0.732	68%	0.675	S	S	*	*	S	Bend	trans	-94.7	5.8	-171.7	0	0	0	0	0	118
196	R	47.3	Very low	52.7	Low	250 Å²	250	107.8 Å²	107.8	94%	0.943	69%	0.694	S	S	*	*	S	Bend	trans	-112.5	10.8	-175.6	-144	-179.7	-176.1	-178.4	1.3	116.2
197	S	44.8	Very low	50.5	Low	112 Å²	112	112.9 Å²	112.9	78%	0.783	71%	0.71	S	S	*	*			trans	-112.6	95.3	168.3	-163.3	0	0	0	0	109.7
198	G	43.8	Very low	48.3	Very low	68 Å²	68	117.4 Å²	117.4	70%	0.701	73%	0.725	S	S	*	*			trans	-65.1	151.1	164.2	0	0	0	0	0	110.9
199	S	46.2	Very low	46.3	Very low	130 Å²	130	121.1 Å²	121.1	91%	0.909	74%	0.74	S	S	*	*			trans	70.6	103.5	167	-177.1	0	0	0	0	116.6
200	G	41.2	Very low	44.8	Very low	74 Å²	74	130 Å²	130	76%	0.763	78%	0.775	S	S	*	*			trans	169.6	98	163.1	0	0	0	0	0	113.9
201	N	38.6	Very low	43.5	Very low	135 Å²	135	128.7 Å²	128.7	72%	0.722	77%	0.774	S	S	*	*			trans	-54.5	170.3	173.7	-159.8	40.8	0	0	0	113.8
202	F	40	Very low	42.4	Very low	191 Å²	191	131.7 Å²	131.7	84%	0.838	78%	0.784	S	S	*	*			trans	84.1	117.2	176.5	-49	-77.7	0	0	0	114.4
203	G	37.7	Very low	41.7	Very low	76 Å²	76	137.4 Å²	137.4	78%	0.784	79%	0.793	S	S	*	*			cis	117.5	103.3	30.7	0	0	0	0	0	108.2
204	G	34.9	Very low	41.3	Very low	89 Å²	89	134.5 Å²	134.5	92%	0.918	78%	0.783	S	S	*	*			trans	66.5	115.2	158.9	0	0	0	0	0	118.6
205	G	34.6	Very low	41	Very low	80 Å²	80	129.5 Å²	129.5	83%	0.825	77%	0.774	S	S	*	*			trans	169.7	106.6	164.5	0	0	0	0	0	114.1
206	S	34.9	Very low	40.8	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	79%	0.786	S	S	*	*			trans	-60.3	177.8	164.4	-162.2	0	0	0	0	111.5
207	Y	39.7	Very low	40.5	Very low	199 Å²	199	128.6 Å²	128.6	78%	0.78	77%	0.771	S	S	*	*			trans	103.5	97.9	168.9	-54.8	-73.7	0	0	0	117.5
208	N	39.4	Very low	40.2	Very low	154 Å²	154	127.8 Å²	127.8	82%	0.824	77%	0.766	S	S	*	*				29.6	102	119.6	-56.4	-24.8	0	0	0	117.1
209	D	40.9	Very low	39.9	Very low	145 Å²	145	131.9 Å²	131.9	78%	0.775	77%	0.772	S	S	*	*			trans	-149.1	86.8	152.7	-160.1	-1.5	0	0	0	110.6	G211	D209-G211 PolarHBondContact OD1-N 3.46Å
210	F	46.5	Very low	39.6	Very low	205 Å²	205	136.5 Å²	136.5	90%	0.899	78%	0.776	S	S	*	*	S	Bend	trans	-105.4	91.9	154.7	-92.4	-82.5	0	0	0	107.2
211	G	41.6	Very low	39.4	Very low	48 Å²	48	136.2 Å²	136.2	50%	0.495	77%	0.773	S	S	.	*			trans	52.7	77	141.3	0	0	0	0	0	114.7	D209 Y213	D209-G211 PolarHBondContact OD1-N 3.46Å; G211-Y213 PolarHBondContact O-N 3.49Å
212	N	38.1	Very low	39.7	Very low	139 Å²	139	136.2 Å²	136.2	74%	0.743	78%	0.78	S	S	*	*			trans	-61.3	82.5	161.2	-170.5	4.3	0	0	0	110	N214	N212-N214 VanDerWaalsContact C-N 3.27Å; N212-N214 PolarHBondContact O-N 3.16Å
213	Y	41.1	Very low	39.6	Very low	211 Å²	211	136.3 Å²	136.3	83%	0.827	79%	0.786	S	S	*	*			trans	-88.3	71.4	163	-83	-84.6	0	0	0	108.4	G211	G211-Y213 PolarHBondContact O-N 3.49Å
214	N	43.2	Very low	39.9	Very low	112 Å²	112	142.7 Å²	142.7	60%	0.599	79%	0.792	S	S	*	*			trans	-139.6	133.3	165.2	-146.5	-0.3	0	0	0	110.6	N212	N212-N214 VanDerWaalsContact C-N 3.27Å; N212-N214 PolarHBondContact O-N 3.16Å
215	N	42.4	Very low	40.1	Very low	130 Å²	130	142.4 Å²	142.4	70%	0.695	79%	0.788	S	S	*	*			trans	65.9	94.8	172.8	-79.1	-52.8	0	0	0	118.8
216	Q	39.4	Very low	40.6	Very low	211 Å²	211	142.2 Å²	142.2	99%	0.986	79%	0.787	S	S	*	*			trans	-133.8	85.6	132.1	-95.9	178.2	-19	0	0	108.6
217	S	42.6	Very low	40.7	Very low	90 Å²	90	145 Å²	145	63%	0.629	79%	0.794	S	S	*	*			trans	-111.3	128.4	156.6	174.8	0	0	0	0	106.9
218	S	37.4	Very low	40.9	Very low	95 Å²	95	145.3 Å²	145.3	66%	0.664	80%	0.8	S	S	*	*			trans	66.1	132.3	150.6	57.2	0	0	0	0	120.8
219	N	38.4	Very low	41.1	Very low	154 Å²	154	141.5 Å²	141.5	82%	0.824	80%	0.797	S	S	*	*			trans	97.7	101.9	144.2	-67.7	5.5	0	0	0	120.4
220	F	38.5	Very low	41.1	Very low	228 Å²	228	137.7 Å²	137.7	100%	1	79%	0.792	S	S	*	*			trans	-14.1	127	133.6	-98.7	-107.4	0	0	0	115.5
221	G	38	Very low	40.9	Very low	68 Å²	68	140.2 Å²	140.2	70%	0.701	80%	0.795	S	S	*	*			trans	166.4	150.5	164.4	0	0	0	0	0	113.7
222	P	45.1	Very low	40.9	Very low	134 Å²	134	143.3 Å²	143.3	87%	0.87	81%	0.81	S	S	*	*				-106.2	169.9	-126.1	37.8	-34.3	0	0	0	117.2
223	M	37.8	Very low	41.4	Very low	194 Å²	194	142.3 Å²	142.3	96%	0.956	81%	0.813	S	S	*	*			trans	-45.7	138.9	177.6	-63.3	175.8	146.8	0	0	115.3
224	K	44.1	Very low	41.4	Very low	210 Å²	210	134.7 Å²	134.7	91%	0.913	80%	0.799	S	S	*	*			trans	-126.7	116.1	166.2	-143.2	-179.2	-175	-176.6	0	109.5
225	G	38.1	Very low	41.4	Very low	82 Å²	82	135.1 Å²	135.1	85%	0.845	81%	0.808	S	S	*	*			trans	-72.2	152.4	175.9	0	0	0	0	0	113
226	G	44.4	Very low	41.4	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	81%	0.814	S	S	*	*			trans	-140.9	115.5	171.8	0	0	0	0	0	109.7
227	N	37.8	Very low	41.5	Very low	159 Å²	159	133 Å²	133	85%	0.85	81%	0.81	S	S	*	*			trans	-99.8	122.1	-178.1	-172.3	68.6	0	0	0	109.1
228	F	43.9	Very low	41.4	Very low	206 Å²	206	132.5 Å²	132.5	90%	0.904	82%	0.819	S	S	*	*			trans	-132.3	108.3	163.8	-81.3	-88.8	0	0	0	105
229	G	42.9	Very low	41.6	Very low	74 Å²	74	132 Å²	132	76%	0.763	83%	0.829	S	S	*	*				68.6	120.9	88.5	0	0	0	0	0	110.3
230	G	42	Very low	41.6	Very low	65 Å²	65	127.3 Å²	127.3	67%	0.67	82%	0.817	S	S	*	*			cis	166.3	168.1	5.8	0	0	0	0	0	107.2
231	R	41.2	Very low	41.7	Very low	257 Å²	257	124.7 Å²	124.7	97%	0.97	81%	0.808	S	S	*	*			trans	80.3	144.9	173.3	-47.2	173.1	-178	-157.4	-1.2	115.8
232	S	42.9	Very low	41.8	Very low	114 Å²	114	130.4 Å²	130.4	80%	0.797	81%	0.81	S	S	*	*			cis	175.6	147.8	-30.3	-174.4	0	0	0	0	104.6
233	S	48.9	Very low	41.7	Very low	117 Å²	117	134 Å²	134	82%	0.818	81%	0.812	S	S	*	*			trans	74.7	125.8	169.9	-173.9	0	0	0	0	117
234	G	40.1	Very low	41.9	Very low	51 Å²	51	129.5 Å²	129.5	53%	0.526	81%	0.805	S	S	.	*			cis	180	165.7	3.3	0	0	0	0	0	109.1
235	P	42.8	Very low	41.9	Very low	121 Å²	121	129.2 Å²	129.2	79%	0.786	80%	0.804	S	S	*	*			trans	-119.5	140.9	-166.5	37.5	-23.4	0	0	0	115.6
236	Y	42.2	Very low	42.5	Very low	209 Å²	209	130.9 Å²	130.9	82%	0.82	80%	0.8	S	S	*	*			trans	-159.8	113.7	163.8	0.4	-94.2	0	0	0	106.7
237	G	42.6	Very low	42.6	Very low	88 Å²	88	138.3 Å²	138.3	91%	0.907	80%	0.804	S	S	*	*				64.8	127.3	84.9	0	0	0	0	0	111.2
238	G	41.2	Very low	43	Very low	79 Å²	79	136.7 Å²	136.7	81%	0.814	80%	0.795	S	S	*	*			cis	162.6	145.7	4.6	0	0	0	0	0	107.4
239	G	40.3	Very low	43.2	Very low	85 Å²	85	135.6 Å²	135.6	88%	0.876	79%	0.793	S	S	*	*			trans	80.9	131.6	147.3	0	0	0	0	0	123.3
240	G	39.3	Very low	43.2	Very low	56 Å²	56	135.5 Å²	135.5	58%	0.577	79%	0.792	S	S	*	*			trans	78.4	110.3	146.4	0	0	0	0	0	117.8
241	Q	40.3	Very low	43.3	Very low	173 Å²	173	135.2 Å²	135.2	81%	0.808	79%	0.789	S	S	*	*				59.4	150.8	72.9	-62.6	-171.1	34.5	0	0	116.4
242	Y	40.1	Very low	43.5	Very low	188 Å²	188	133.6 Å²	133.6	74%	0.737	78%	0.784	S	S	*	*			trans	81.7	109	168.2	7.3	-81.7	0	0	0	122.2
243	F	42.1	Very low	43.5	Very low	210 Å²	210	132 Å²	132	92%	0.921	79%	0.786	S	S	*	*			trans	25.1	127	135.7	-74.1	-94.6	0	0	0	121.9
244	A	42.9	Very low	43.2	Very low	99 Å²	99	130.3 Å²	130.3	82%	0.818	79%	0.787	S	S	*	*				156.9	134.4	112.7	0	0	0	0	0	112.2
245	K	43.7	Very low	43.3	Very low	203 Å²	203	133.3 Å²	133.3	88%	0.883	80%	0.8	S	S	*	*			trans	-68	161.2	169.1	-64.5	-179	171.4	177.6	0	110.7
246	P	50.8	Low	43.3	Very low	117 Å²	117	133 Å²	133	76%	0.76	80%	0.8	S	S	*	*				-153.8	163.3	91.2	37.4	-18.6	0	0	0	116.6
247	R	46.1	Very low	43.2	Very low	234 Å²	234	128.6 Å²	128.6	88%	0.883	80%	0.8	S	S	*	*			trans	50.6	152.9	146.1	-84.6	-177.9	147.1	168.8	-3.9	119.2
248	N	47.7	Very low	43.5	Very low	124 Å²	124	129.7 Å²	129.7	66%	0.663	79%	0.794	S	S	*	*			cis	168.8	168.1	-4.7	179.4	20.3	0	0	0	104.8
249	Q	47.2	Very low	43.6	Very low	184 Å²	184	130.9 Å²	130.9	86%	0.86	79%	0.79	S	S	*	*			trans	85.5	127.9	175.4	-53.5	-178.3	43.6	0	0	114.7
250	G	43.5	Very low	44	Very low	72 Å²	72	131.2 Å²	131.2	74%	0.742	78%	0.779	S	S	*	*			cis	172.5	175.4	2.8	0	0	0	0	0	108.2
251	G	44.5	Very low	44.4	Very low	58 Å²	58	137.9 Å²	137.9	60%	0.598	79%	0.788	S	S	*	*			trans	114	72.3	161.3	0	0	0	0	0	119.3
252	Y	44.1	Very low	44.9	Very low	223 Å²	223	133.3 Å²	133.3	88%	0.875	79%	0.787	S	S	*	*			trans	-15.7	142.3	130.7	20.7	-91.9	0	0	0	114.9
253	G	43.1	Very low	45.5	Very low	80 Å²	80	130.1 Å²	130.1	83%	0.825	79%	0.793	S	S	*	*			cis	162.7	174.5	13	0	0	0	0	0	107.5
254	G	42	Very low	46.4	Very low	82 Å²	82	123.9 Å²	123.9	85%	0.845	79%	0.788	S	S	*	*			trans	122.3	106.9	156.7	0	0	0	0	0	118.8
255	S	42	Very low	47.2	Very low	115 Å²	115	129.3 Å²	129.3	80%	0.804	79%	0.787	S	S	*	*			trans	-30.6	146.2	161.6	-178.1	0	0	0	0	118.6
256	S	42.9	Very low	47.7	Very low	113 Å²	113	129.6 Å²	129.6	79%	0.79	78%	0.783	S	S	*	*				-179	128.2	122.3	35.5	0	0	0	0	113.1
257	S	41.7	Very low	48.4	Very low	117 Å²	117	137.8 Å²	137.8	82%	0.818	81%	0.807	S	S	*	*			trans	-87	130.4	161.9	46.5	0	0	0	0	110
258	S	47.6	Very low	48.5	Very low	112 Å²	112	133 Å²	133	78%	0.783	80%	0.803	S	S	*	*			trans	-159.1	125	160.3	55.7	0	0	0	0	112.3
259	S	43.9	Very low	48.5	Very low	104 Å²	104	133.4 Å²	133.4	73%	0.727	81%	0.81	S	S	*	*			trans	-48.2	162	155.6	31.5	0	0	0	0	112.8
260	S	48	Very low	48.6	Very low	92 Å²	92	130.6 Å²	130.6	64%	0.643	81%	0.808	S	S	*	*			trans	-178.1	58.9	-155.6	-137.9	0	0	0	0	114.8
261	Y	49.2	Very low	48.9	Very low	195 Å²	195	134.1 Å²	134.1	77%	0.765	81%	0.811	S	S	*	*			trans	-31.6	153.9	162.2	26	-84.8	0	0	0	119.7
262	G	50.5	Low	49.2	Very low	77 Å²	77	138.8 Å²	138.8	79%	0.794	83%	0.825	S	S	*	*			trans	124.6	144	152.8	0	0	0	0	0	113.4
263	S	52	Low	49.5	Very low	121 Å²	121	133.2 Å²	133.2	85%	0.846	82%	0.821	S	S	*	*			cis	178.1	139.7	-2.9	166	0	0	0	0	104.4
264	G	60	Low	50	Low	80 Å²	80	137 Å²	137	83%	0.825	82%	0.821	S	S	*	*			trans	178.5	88.7	172.7	0	0	0	0	0	113.4
265	R	60.6	Low	50.6	Low	213 Å²	213	141.2 Å²	141.2	80%	0.804	82%	0.819	S	S	*	*			trans	-78.5	146.6	-173.7	-73.9	179.2	-171.9	173.3	3.1	114
266	R	55.2	Low	51.3	Low	208 Å²	208	143.4 Å²	143.4	79%	0.785	82%	0.821	S	S	*	*				49	120.7	129.3	-62.3	178.2	175	177.5	-3.7	119
267	F	63.8	Low	52	Low	289 Å²	289	146.2 Å²	146.2	100%	1.268	82%	0.823	S	S	*	*				-133.8	0	85.3	-82.7	-82.4	0	0	0	109.4

Retrieved 267 of 267 residues in 42.7 ms (Link to these results)

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