A0A087YHV4_POEFO Loading...

Peroxisomal coenzyme A diphosphatase NUDT7

Fatty acyl-coenzyme A (CoA) diphosphatase that hydrolyzes fatty acyl-CoA to yield acyl-4'-phosphopantetheine and adenosine 3',5'-bisphosphate. Cleaves CoA, CoA esters and oxidized CoA with similar efficiencies. Preferentially hydrolyzes medium-chain acyl-CoAs and bile acid-CoAs. Has no activity toward NDP-sugars, CDP-alcohols, (deoxy)nucleoside 5'-triphosphates, nucleoside 5'-di or monophosphates, diadenosine polyphosphates, NAD, NADH, NADP, NADPH or thymidine-5'-monophospho-p-nitrophenyl ester. May be required to eliminate oxidized CoA from peroxisomes, or regulate CoA and acyl-CoA levels in this organelle in response to metabolic demand. Does not play a role in U8 snoRNA decapping activity. Binds U8 snoRNA. Exhibits decapping activity towards dpCoA-capped RNAs in vitro.

AlphaFold DB , UniProt , Accession A0A087YHV4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.3	Very low	70.1	Confident	221 Å²	221	105 Å²	105	100%	1.089	54%	0.544	S	S	*	.				0	23.5	0	-73.5	-174.4	-70.8	0	0	113.2
2	Y	46.2	Very low	72.3	Confident	206 Å²	206	96.4 Å²	96.4	81%	0.808	50%	0.5	S	S	*	.			trans	-86.6	-16.9	179.5	-76.8	-84	0	0	0	114.4	T4 T5	Y2-T4 PolarHBondContact O-N 3.49Å; Y2-T5 PolarHBondContact O-OG1 3.32Å
3	G	43.1	Very low	74.2	Confident	63 Å²	63	90.1 Å²	90.1	65%	0.649	47%	0.468	S	S	*	.	H	α-helix	trans	-74.1	-23.7	-174.8	0	0	0	0	0	115.4
4	T	57.3	Low	75.7	Confident	115 Å²	115	88 Å²	88	71%	0.706	47%	0.471	S	S	*	.	H	α-helix	trans	-84.6	-30.6	-175.9	-40	0	0	0	0	112.6	Y2 L8	Y2-T4 PolarHBondContact O-N 3.49Å; T4-L8 PolarHBondContact O-N 3.43Å
5	T	56.6	Low	77	Confident	50 Å²	50	83.2 Å²	83.2	31%	0.307	45%	0.446	S	S	.	.	H	α-helix	trans	-80.2	-40.2	-177.9	43.3	0	0	0	0	113	Y2 N7 L8 K9 V42	Y2-T5 PolarHBondContact O-OG1 3.32Å; T5-N7 PolarHBondContact O-N 3.4Å; T5-L8 PolarHBondContact O-N 3.41Å; T5-K9 PolarHBondContact O-N 2.9Å; T5-V42 HydrophobicContact CG2-CG1 3.94Å
6	M	59.9	Low	78.1	Confident	128 Å²	128	78 Å²	78	63%	0.631	42%	0.418	S	S	*	.	H	α-helix	trans	-58.9	-40	172.5	-84.5	-179.8	110	0	0	111	L8 K9 E10	M6-L8 PolarHBondContact O-N 3Å; M6-K9 PolarHBondContact O-N 2.86Å; M6-E10 WeakPolarHBondContact O-CB 3.38Å; M6-E10 WeakPolarHBondContact O-CG 3.26Å; M6-E10 PolarHBondContact O-N 3.33Å; M6-E10 VanDerWaalsContact O-N 3.1Å
7	N	83.8	Confident	79.1	Confident	75 Å²	75	80.4 Å²	80.4	40%	0.401	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-41.2	177.9	-166.9	24.3	0	0	0	112.7	T5 E10 E11	T5-N7 PolarHBondContact O-N 3.4Å; N7-E10 PolarHBondContact O-N 3.25Å; N7-E11 VanDerWaalsContact CG-OE1 3.23Å; N7-E11 PolarHBondContact ND2-OE1 3.1Å; N7-E11 VanDerWaalsContact O-CB 3.32Å; N7-E11 WeakPolarHBondContact O-CB 3.32Å; N7-E11 VanDerWaalsContact O-CG 3.26Å; N7-E11 WeakPolarHBondContact O-CG 3Å; N7-E11 PolarHBondContact O-N 3.39Å; N7-E11 WeakPolarHBondContact OD1-CG 3.47Å; N7-E11 PolarHBondContact OD1-OE1 3.47Å
8	L	93.2	Very high	79.8	Confident	43 Å²	43	87.2 Å²	87.2	23%	0.225	44%	0.443	C	S	.	.	H	α-helix	trans	-64.7	-44.3	-179.7	-178.8	60.7	0	0	0	112.7	T4 T5 M6 T12 V42 G45 L47	T4-L8 PolarHBondContact O-N 3.43Å; T5-L8 PolarHBondContact O-N 3.41Å; M6-L8 PolarHBondContact O-N 3Å; L8-T12 VanDerWaalsContact O-CB 3.3Å; L8-T12 WeakPolarHBondContact O-CB 3.36Å; L8-T12 PolarHBondContact O-N 3.02Å; L8-T12 VanDerWaalsContact O-N 3.07Å; L8-T12 PolarHBondContact O-OG1 3.18Å; L8-V42 HydrophobicContact CD2-CG1 4.26Å; L8-V42 HydrophobicContact CD2-CG2 4.29Å; L8-V42 HydrophobicContact CG-CG2 4.49Å; L8-G45 WeakPolarHBondContact CD2-O 3.32Å; L8-L47 HydrophobicContact CD1-CD1 4.41Å; L8-L47 HydrophobicContact CD1-CG 4.47Å; L8-L47 HydrophobicContact CD2-CG 4.11Å; L8-L47 HydrophobicContact CG-CD2 4.5Å; L8-L47 HydrophobicContact CG-CG 4.22Å
9	K	95.3	Very high	80.4	Confident	49 Å²	49	85.4 Å²	85.4	21%	0.213	43%	0.431	C	S	.	.	H	α-helix	trans	-61.9	-51.1	177	176.9	177.4	174.4	-176.4	0	110.3	T5 M6 E11 T12 V13 V42 E99 F121	T5-K9 PolarHBondContact O-N 2.9Å; M6-K9 PolarHBondContact O-N 2.86Å; K9-E11 PolarHBondContact O-N 3.36Å; K9-T12 WeakPolarHBondContact O-CB 3.47Å; K9-T12 PolarHBondContact O-N 3.4Å; K9-V13 HydrophobicContact CG-CG2 4.35Å; K9-V13 WeakPolarHBondContact O-CG2 3.36Å; K9-V13 PolarHBondContact O-N 2.94Å; K9-V42 HydrophobicContact CB-CG2 4.38Å; K9-E99 WeakPolarHBondContact CE-OE2 3.4Å; K9-E99 IonicContact NZ-OE2 3.36Å; K9-E99 PolarHBondContact NZ-OE2 3.48Å; K9-F121 HydrophobicContact CB-CE1 4.27Å; K9-F121 HydrophobicContact CD-CD1 4.05Å; K9-F121 HydrophobicContact CD-CE1 4.48Å; K9-F121 HydrophobicContact CD-CG 4.24Å; K9-F121 HydrophobicContact CG-CD1 3.86Å; K9-F121 HydrophobicContact CG-CD2 4.27Å; K9-F121 HydrophobicContact CG-CE1 3.85Å; K9-F121 HydrophobicContact CG-CE2 4.28Å; K9-F121 HydrophobicContact CG-CG 4.08Å; K9-F121 HydrophobicContact CG-CZ 4.07Å
10	E	95	Very high	81	Confident	116 Å²	116	84.2 Å²	84.2	54%	0.542	43%	0.426	S	S	.	.	H	α-helix	trans	-61.1	-45.7	-177.6	-71.3	172.4	-176.4	0	0	112.4	M6 N7 T12 V13 A14	M6-E10 WeakPolarHBondContact O-CB 3.38Å; M6-E10 WeakPolarHBondContact O-CG 3.26Å; M6-E10 PolarHBondContact O-N 3.33Å; M6-E10 VanDerWaalsContact O-N 3.1Å; N7-E10 PolarHBondContact O-N 3.25Å; E10-T12 VanDerWaalsContact C-N 3.3Å; E10-T12 PolarHBondContact O-N 3.44Å; E10-V13 PolarHBondContact O-N 3.21Å; E10-A14 WeakPolarHBondContact O-CB 3.47Å; E10-A14 PolarHBondContact O-N 2.71Å
11	E	94.8	Very high	81.4	Confident	89 Å²	89	80.7 Å²	80.7	42%	0.416	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-38.5	175.8	-75	-179.9	-166.4	0	0	112.3	N7 K9 T15	N7-E11 VanDerWaalsContact CG-OE1 3.23Å; N7-E11 PolarHBondContact ND2-OE1 3.1Å; N7-E11 VanDerWaalsContact O-CB 3.32Å; N7-E11 WeakPolarHBondContact O-CB 3.32Å; N7-E11 VanDerWaalsContact O-CG 3.26Å; N7-E11 WeakPolarHBondContact O-CG 3Å; N7-E11 PolarHBondContact O-N 3.39Å; N7-E11 WeakPolarHBondContact OD1-CG 3.47Å; N7-E11 PolarHBondContact OD1-OE1 3.47Å; K9-E11 PolarHBondContact O-N 3.36Å; E11-T15 WeakPolarHBondContact O-CB 3.08Å; E11-T15 PolarHBondContact O-N 3.14Å; E11-T15 PolarHBondContact O-OG1 3.3Å
12	T	96.4	Very high	83.2	Confident	2 Å²	2	72 Å²	72	1%	0.012	38%	0.376	C	S	.	.	H	α-helix	trans	-67.4	-47.3	177.9	-58.5	0	0	0	0	110.7	L8 K9 E10 A14 T15 L16 L40 L47 F121	L8-T12 VanDerWaalsContact O-CB 3.3Å; L8-T12 WeakPolarHBondContact O-CB 3.36Å; L8-T12 PolarHBondContact O-N 3.02Å; L8-T12 VanDerWaalsContact O-N 3.07Å; L8-T12 PolarHBondContact O-OG1 3.18Å; K9-T12 WeakPolarHBondContact O-CB 3.47Å; K9-T12 PolarHBondContact O-N 3.4Å; E10-T12 VanDerWaalsContact C-N 3.3Å; E10-T12 PolarHBondContact O-N 3.44Å; T12-A14 PolarHBondContact O-N 3.21Å; T12-T15 PolarHBondContact O-N 3.45Å; T12-T15 VanDerWaalsContact O-N 3.16Å; T12-L16 HydrophobicContact CG2-CD1 3.73Å; T12-L16 HydrophobicContact CG2-CG 4.29Å; T12-L16 WeakPolarHBondContact O-CB 3.44Å; T12-L16 WeakPolarHBondContact O-CG 3.33Å; T12-L16 PolarHBondContact O-N 2.9Å; T12-L40 HydrophobicContact CG2-CD1 4.39Å; T12-L47 HydrophobicContact CG2-CD1 4.02Å; T12-L47 HydrophobicContact CG2-CD2 4.48Å; T12-F121 HydrophobicContact CG2-CE2 3.96Å; T12-F121 HydrophobicContact CG2-CZ 3.76Å
13	V	96.9	Very high	84.6	Confident	14 Å²	14	69.4 Å²	69.4	9%	0.085	37%	0.371	C	S	.	.	H	α-helix	trans	-57	-49.3	175.2	168.6	0	0	0	0	110.8	K9 E10 T15 L16 K17 V101 F121	K9-V13 HydrophobicContact CG-CG2 4.35Å; K9-V13 WeakPolarHBondContact O-CG2 3.36Å; K9-V13 PolarHBondContact O-N 2.94Å; E10-V13 PolarHBondContact O-N 3.21Å; V13-T15 PolarHBondContact O-N 3.47Å; V13-L16 PolarHBondContact O-N 2.87Å; V13-K17 HydrophobicContact CG1-CD 4Å; V13-K17 HydrophobicContact CG1-CG 4.46Å; V13-K17 WeakPolarHBondContact O-CB 3.37Å; V13-K17 WeakPolarHBondContact O-CG 3.41Å; V13-K17 PolarHBondContact O-N 3.13Å; V13-V101 HydrophobicContact CB-CG1 4.44Å; V13-V101 HydrophobicContact CG1-CG1 4.2Å; V13-V101 HydrophobicContact CG2-CG1 4.45Å; V13-V101 HydrophobicContact CG2-CG2 3.98Å; V13-F121 HydrophobicContact CG2-CD2 3.65Å; V13-F121 HydrophobicContact CG2-CE2 3.62Å
14	A	95.3	Very high	86.3	Confident	61 Å²	61	72.2 Å²	72.2	50%	0.504	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-35.8	178.8	0	0	0	0	0	112.4	E10 T12	E10-A14 WeakPolarHBondContact O-CB 3.47Å; E10-A14 PolarHBondContact O-N 2.71Å; T12-A14 PolarHBondContact O-N 3.21Å
15	T	94.2	Very high	87.2	Confident	16 Å²	16	67.5 Å²	67.5	10%	0.098	34%	0.336	C	S	.	.	H	α-helix	trans	-72.3	-50	178.8	-56	0	0	0	0	111.5	E11 T12 V13 K17 R18 F19 L195 K198	E11-T15 WeakPolarHBondContact O-CB 3.08Å; E11-T15 PolarHBondContact O-N 3.14Å; E11-T15 PolarHBondContact O-OG1 3.3Å; T12-T15 PolarHBondContact O-N 3.45Å; T12-T15 VanDerWaalsContact O-N 3.16Å; V13-T15 PolarHBondContact O-N 3.47Å; T15-K17 PolarHBondContact O-N 3.16Å; T15-R18 WeakPolarHBondContact O-CB 3.42Å; T15-R18 PolarHBondContact O-N 2.71Å; T15-F19 HydrophobicContact CG2-CE2 4.48Å; T15-F19 WeakPolarHBondContact O-CD2 3.24Å; T15-L195 VanDerWaalsContact CG2-O 3.25Å; T15-L195 WeakPolarHBondContact CG2-O 3.36Å; T15-K198 WeakPolarHBondContact OG1-CE 3.42Å; T15-K198 PolarHBondContact OG1-NZ 2.61Å
16	L	95.1	Very high	87.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-66.6	-34.3	-176.6	-71.4	172.5	0	0	0	113	T12 V13 R18 F19 L40 V101 V119 L195	T12-L16 HydrophobicContact CG2-CD1 3.73Å; T12-L16 HydrophobicContact CG2-CG 4.29Å; T12-L16 WeakPolarHBondContact O-CB 3.44Å; T12-L16 WeakPolarHBondContact O-CG 3.33Å; T12-L16 PolarHBondContact O-N 2.9Å; V13-L16 PolarHBondContact O-N 2.87Å; L16-R18 PolarHBondContact O-N 2.68Å; L16-R18 VanDerWaalsContact O-N 3.14Å; L16-F19 PolarHBondContact O-N 3.07Å; L16-L40 HydrophobicContact CD1-CD1 3.92Å; L16-V101 HydrophobicContact CB-CG1 3.82Å; L16-V101 HydrophobicContact CD1-CG1 4.45Å; L16-V119 HydrophobicContact CD1-CG1 3.87Å; L16-L195 HydrophobicContact CD2-CB 3.88Å; L16-L195 HydrophobicContact CD2-CD1 4.31Å
17	K	95.3	Very high	88.3	Confident	118 Å²	118	69.9 Å²	69.9	51%	0.513	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-57.9	-25.4	174.7	-81	-179	175.1	176.7	0	113.6	V13 T15 F19 D20 V101	V13-K17 HydrophobicContact CG1-CD 4Å; V13-K17 HydrophobicContact CG1-CG 4.46Å; V13-K17 WeakPolarHBondContact O-CB 3.37Å; V13-K17 WeakPolarHBondContact O-CG 3.41Å; V13-K17 PolarHBondContact O-N 3.13Å; T15-K17 PolarHBondContact O-N 3.16Å; K17-F19 PolarHBondContact O-N 3.04Å; K17-D20 WeakPolarHBondContact O-CB 3.49Å; K17-D20 PolarHBondContact O-N 3.46Å; K17-V101 HydrophobicContact CG-CG1 4.06Å
18	R	92.4	Very high	87.6	Confident	204 Å²	204	67.1 Å²	67.1	77%	0.77	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-68.8	-20	175.7	-63.4	174.1	56.1	-175.4	-5.4	113.3	T15 L16	T15-R18 WeakPolarHBondContact O-CB 3.42Å; T15-R18 PolarHBondContact O-N 2.71Å; L16-R18 PolarHBondContact O-N 2.68Å; L16-R18 VanDerWaalsContact O-N 3.14Å
19	F	91	Very high	86	Confident	52 Å²	52	69.1 Å²	69.1	23%	0.228	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-102.5	4.3	-180	-60.8	-85	0	0	0	112.6	T15 L16 K17 I21 L104 L195 P212	T15-F19 HydrophobicContact CG2-CE2 4.48Å; T15-F19 WeakPolarHBondContact O-CD2 3.24Å; L16-F19 PolarHBondContact O-N 3.07Å; K17-F19 PolarHBondContact O-N 3.04Å; F19-I21 PolarHBondContact O-N 2.94Å; F19-L104 HydrophobicContact CB-CD2 3.99Å; F19-L195 HydrophobicContact CB-CD1 4.39Å; F19-L195 HydrophobicContact CD1-CD1 4.3Å; F19-L195 HydrophobicContact CD1-CD2 4.31Å; F19-L195 HydrophobicContact CD2-CD1 3.96Å; F19-L195 HydrophobicContact CD2-CD2 4.11Å; F19-L195 HydrophobicContact CE1-CD2 3.84Å; F19-L195 HydrophobicContact CE2-CD1 4.34Å; F19-L195 HydrophobicContact CE2-CD2 3.62Å; F19-L195 HydrophobicContact CE2-CG 4.42Å; F19-L195 HydrophobicContact CG-CD1 3.94Å; F19-L195 HydrophobicContact CG-CD2 4.43Å; F19-L195 HydrophobicContact CZ-CD2 3.46Å; F19-L195 VanDerWaalsContact CZ-CD2 3.46Å; F19-P212 HydrophobicContact CD1-CG 4.22Å; F19-P212 HydrophobicContact CE1-CG 3.91Å
20	D	92.2	Very high	84.6	Confident	62 Å²	62	74.1 Å²	74.1	33%	0.332	38%	0.379	S	S	.	.			trans	-61.5	125.7	175.2	-169.4	18.6	0	0	0	110.3	K17 G22 C102 T103	K17-D20 WeakPolarHBondContact O-CB 3.49Å; K17-D20 PolarHBondContact O-N 3.46Å; D20-G22 PolarHBondContact OD1-N 3.15Å; D20-C102 HydrophobicContact CB-CB 3.6Å; D20-T103 PolarHBondContact OD1-N 2.97Å; D20-T103 VanDerWaalsContact OD1-O 3.12Å
21	I	88.9	Confident	83.9	Confident	10 Å²	10	70 Å²	70	5%	0.051	36%	0.361	C	S	.	.			trans	-84.2	-21.8	178.9	58	150.7	0	0	0	111.8	F19 E23 K24 F25 T103 L104 F105 L213	F19-I21 PolarHBondContact O-N 2.94Å; I21-E23 PolarHBondContact O-N 2.96Å; I21-K24 HydrophobicContact CB-CB 4.5Å; I21-K24 WeakPolarHBondContact O-CB 3.46Å; I21-K24 VanDerWaalsContact O-CD 3.28Å; I21-K24 WeakPolarHBondContact O-CD 3.25Å; I21-K24 WeakPolarHBondContact O-CG 2.96Å; I21-K24 PolarHBondContact O-N 2.95Å; I21-K24 VanDerWaalsContact O-N 3.07Å; I21-F25 HydrophobicContact CB-CD2 3.99Å; I21-F25 HydrophobicContact CB-CE2 4.02Å; I21-F25 HydrophobicContact CD1-CB 4.48Å; I21-F25 HydrophobicContact CD1-CD2 3.56Å; I21-F25 HydrophobicContact CD1-CE2 4.31Å; I21-F25 HydrophobicContact CD1-CG 4.43Å; I21-F25 HydrophobicContact CG1-CD2 4.39Å; I21-F25 HydrophobicContact CG2-CD2 4.22Å; I21-F25 HydrophobicContact CG2-CE2 3.83Å; I21-T103 HydrophobicContact CD1-CG2 4.24Å; I21-T103 HydrophobicContact CG1-CG2 4.22Å; I21-T103 WeakPolarHBondContact CG1-O 3.3Å; I21-T103 PolarHBondContact N-O 2.92Å; I21-L104 WeakPolarHBondContact CD1-O 3.42Å; I21-F105 HydrophobicContact CG2-CB 4.21Å; I21-L213 HydrophobicContact CG2-CD1 4.24Å
22	G	84.1	Confident	83.6	Confident	40 Å²	40	69.7 Å²	69.7	41%	0.412	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	-131.8	-169	0	0	0	0	0	111.2	D20 K24	D20-G22 PolarHBondContact OD1-N 3.15Å; G22-K24 VanDerWaalsContact C-N 3.27Å; G22-K24 PolarHBondContact O-N 3.48Å
23	E	75.4	Confident	83.4	Confident	150 Å²	150	72.3 Å²	72.3	70%	0.701	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	8.3	-178.5	-63	-58	136.8	0	0	114.6	I21 F25 S26	I21-E23 PolarHBondContact O-N 2.96Å; E23-F25 PolarHBondContact O-N 3.48Å; E23-S26 PolarHBondContact O-N 3.1Å; E23-S26 VanDerWaalsContact O-N 3.09Å; E23-S26 PolarHBondContact O-OG 3.16Å; E23-S26 VanDerWaalsContact OE2-CB 3.26Å; E23-S26 WeakPolarHBondContact OE2-CB 3.34Å
24	K	78.2	Confident	83.3	Confident	123 Å²	123	71.9 Å²	71.9	54%	0.535	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.9	-173	-75.5	169.9	-167.8	155.9	0	114.6	I21 G22 Y27	I21-K24 HydrophobicContact CB-CB 4.5Å; I21-K24 WeakPolarHBondContact O-CB 3.46Å; I21-K24 VanDerWaalsContact O-CD 3.28Å; I21-K24 WeakPolarHBondContact O-CD 3.25Å; I21-K24 WeakPolarHBondContact O-CG 2.96Å; I21-K24 PolarHBondContact O-N 2.95Å; I21-K24 VanDerWaalsContact O-N 3.07Å; G22-K24 VanDerWaalsContact C-N 3.27Å; G22-K24 PolarHBondContact O-N 3.48Å; K24-Y27 WeakPolarHBondContact O-CD1 3.1Å; K24-Y27 WeakPolarHBondContact O-CE1 3.23Å
25	F	76.3	Confident	83.4	Confident	16 Å²	16	69 Å²	69	7%	0.07	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	13	-178.8	-62.6	-80.7	0	0	0	113.2	I21 E23 Y27 L28 F105 P106 K217 L220	I21-F25 HydrophobicContact CB-CD2 3.99Å; I21-F25 HydrophobicContact CB-CE2 4.02Å; I21-F25 HydrophobicContact CD1-CB 4.48Å; I21-F25 HydrophobicContact CD1-CD2 3.56Å; I21-F25 HydrophobicContact CD1-CE2 4.31Å; I21-F25 HydrophobicContact CD1-CG 4.43Å; I21-F25 HydrophobicContact CG1-CD2 4.39Å; I21-F25 HydrophobicContact CG2-CD2 4.22Å; I21-F25 HydrophobicContact CG2-CE2 3.83Å; E23-F25 PolarHBondContact O-N 3.48Å; F25-Y27 PolarHBondContact O-N 3.27Å; F25-L28 HydrophobicContact CB-CD1 3.84Å; F25-L28 HydrophobicContact CB-CG 4.25Å; F25-L28 HydrophobicContact CD1-CD1 4.05Å; F25-L28 HydrophobicContact CD1-CG 4.47Å; F25-L28 HydrophobicContact CG-CD1 4.37Å; F25-L28 WeakPolarHBondContact O-CB 3.33Å; F25-L28 WeakPolarHBondContact O-CG 3.37Å; F25-L28 PolarHBondContact O-N 3.3Å; F25-F105 HydrophobicContact CD1-CE2 4.11Å; F25-F105 HydrophobicContact CD2-CD2 4.25Å; F25-F105 AromaticContact CE1-CD2 3.89Å; F25-F105 HydrophobicContact CE1-CD2 3.89Å; F25-F105 AromaticContact CE1-CE2 3.27Å; F25-F105 HydrophobicContact CE1-CE2 3.27Å; F25-F105 HydrophobicContact CE1-CZ 4.08Å; F25-F105 AromaticContact CE2-CD2 3.45Å; F25-F105 HydrophobicContact CE2-CD2 3.45Å; F25-F105 VanDerWaalsContact CE2-CD2 3.45Å; F25-F105 AromaticContact CE2-CE2 3.77Å; F25-F105 HydrophobicContact CE2-CE2 3.77Å; F25-F105 AromaticContact CZ-CD2 3.26Å; F25-F105 HydrophobicContact CZ-CD2 3.26Å; F25-F105 AromaticContact CZ-CE2 3.07Å; F25-F105 HydrophobicContact CZ-CE2 3.07Å; F25-F105 HydrophobicContact CZ-CZ 4.25Å; F25-P106 HydrophobicContact CB-CG 3.99Å; F25-P106 HydrophobicContact CD1-CG 4.46Å; F25-P106 HydrophobicContact CD2-CG 4.42Å; F25-P106 HydrophobicContact CG-CG 4.01Å; F25-K217 HydrophobicContact CZ-CG 4.41Å; F25-L220 HydrophobicContact CD1-CD2 3.92Å; F25-L220 HydrophobicContact CE1-CD2 3.99Å
26	S	69.3	Low	83.6	Confident	76 Å²	76	69.2 Å²	69.2	53%	0.531	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.1	177.3	61.8	0	0	0	0	113	E23 L28	E23-S26 PolarHBondContact O-N 3.1Å; E23-S26 VanDerWaalsContact O-N 3.09Å; E23-S26 PolarHBondContact O-OG 3.16Å; E23-S26 VanDerWaalsContact OE2-CB 3.26Å; E23-S26 WeakPolarHBondContact OE2-CB 3.34Å; S26-L28 VanDerWaalsContact C-N 3.32Å
27	Y	70.8	Confident	83.8	Confident	152 Å²	152	69.2 Å²	69.2	60%	0.596	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.2	176	69.8	-101.9	0	0	0	114.5	K24 F25	K24-Y27 WeakPolarHBondContact O-CD1 3.1Å; K24-Y27 WeakPolarHBondContact O-CE1 3.23Å; F25-Y27 PolarHBondContact O-N 3.27Å
28	L	70.3	Confident	83.9	Confident	17 Å²	17	63.7 Å²	63.7	9%	0.089	33%	0.329	C	S	.	.	S	Bend	trans	-59.1	134.3	-179.8	-67.9	176.4	0	0	0	108.9	F25 S26 P106 L114 L220 L224	F25-L28 HydrophobicContact CB-CD1 3.84Å; F25-L28 HydrophobicContact CB-CG 4.25Å; F25-L28 HydrophobicContact CD1-CD1 4.05Å; F25-L28 HydrophobicContact CD1-CG 4.47Å; F25-L28 HydrophobicContact CG-CD1 4.37Å; F25-L28 WeakPolarHBondContact O-CB 3.33Å; F25-L28 WeakPolarHBondContact O-CG 3.37Å; F25-L28 PolarHBondContact O-N 3.3Å; S26-L28 VanDerWaalsContact C-N 3.32Å; L28-P106 HydrophobicContact CD1-CG 4.21Å; L28-L114 HydrophobicContact CB-CD2 4.19Å; L28-L114 HydrophobicContact CD1-CD1 4.36Å; L28-L114 HydrophobicContact CD1-CD2 3.6Å; L28-L220 HydrophobicContact CD1-CD1 4.26Å; L28-L220 HydrophobicContact CD1-CD2 3.86Å; L28-L220 HydrophobicContact CD2-CD2 4.16Å; L28-L224 HydrophobicContact CD2-CD1 3.55Å
29	P	59	Low	84.2	Confident	85 Å²	85	54 Å²	54	55%	0.552	29%	0.293	S	S	*	.			trans	-57.9	171	-173	23.4	-33.2	0	0	0	111.8	L31	P29-L31 HydrophobicContact CG-CG 4.39Å; P29-L31 PolarHBondContact O-N 3.45Å
30	V	65.5	Low	84.6	Confident	153 Å²	153	51.5 Å²	51.5	93%	0.927	28%	0.282	S	S	*	.	S	Bend	trans	-61.6	62.2	-178.3	-164.5	0	0	0	0	112.2
31	L	80.1	Confident	84.9	Confident	29 Å²	29	48.7 Å²	48.7	15%	0.152	27%	0.267	C	S	.	.			trans	-80	143.9	171.1	-64.3	172.8	0	0	0	107.1	P29 K33 F108 L114 L224 L227	P29-L31 HydrophobicContact CG-CG 4.39Å; P29-L31 PolarHBondContact O-N 3.45Å; L31-K33 VanDerWaalsContact O-CG 3.29Å; L31-K33 WeakPolarHBondContact O-CG 3.28Å; L31-K33 PolarHBondContact O-N 2.97Å; L31-F108 HydrophobicContact CD1-CE1 3.83Å; L31-F108 HydrophobicContact CD1-CZ 3.64Å; L31-L114 HydrophobicContact CB-CB 4.38Å; L31-L114 HydrophobicContact CD1-CD2 4.46Å; L31-L224 HydrophobicContact CD1-CD2 3.86Å; L31-L227 HydrophobicContact CD2-CD1 3.73Å
32	P	88.4	Confident	85.3	Confident	83 Å²	83	49.3 Å²	49.3	54%	0.539	27%	0.271	S	S	.	.			trans	-53	114.3	169.1	-27.8	37	0	0	0	110.3	L113 L114	P32-L113 HydrophobicContact CB-CD2 3.45Å; P32-L113 VanDerWaalsContact CB-CD2 3.45Å; P32-L113 CarbonylContact O-C 3.6Å; P32-L113 VanDerWaalsContact O-CA 3.28Å; P32-L113 WeakPolarHBondContact O-CA 3.31Å; P32-L114 PolarHBondContact O-N 2.72Å
33	K	92.4	Very high	85.9	Confident	57 Å²	57	52.1 Å²	52.1	25%	0.248	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	149.5	-178.2	-57	-167.7	78.9	-170.3	0	111.1	L31 R72 D79 L114	L31-K33 VanDerWaalsContact O-CG 3.29Å; L31-K33 WeakPolarHBondContact O-CG 3.28Å; L31-K33 PolarHBondContact O-N 2.97Å; K33-R72 HydrophobicContact CB-CB 4.08Å; K33-R72 PolarHBondContact O-N 3.28Å; K33-D79 WeakPolarHBondContact CE-OD1 3.42Å; K33-D79 IonicContact NZ-OD1 3.85Å; K33-D79 PolarHBondContact NZ-OD1 2.85Å; K33-D79 IonicContact NZ-OD2 3.29Å; K33-D79 PolarHBondContact NZ-OD2 2.94Å; K33-L114 WeakPolarHBondContact CA-O 3.43Å
34	A	95.3	Very high	86.8	Confident	6 Å²	6	48.7 Å²	48.7	5%	0.05	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	158	168.7	0	0	0	0	0	108.5	G70 L113 L114 V115 S116	A34-G70 CarbonylContact C-O 3.23Å; A34-G70 WeakPolarHBondContact CA-O 3.41Å; A34-G70 WeakPolarHBondContact CB-O 3.37Å; A34-L113 HydrophobicContact CB-CB 4.32Å; A34-L113 HydrophobicContact CB-CD1 4.1Å; A34-L114 PolarHBondContact N-O 3.35Å; A34-V115 HydrophobicContact CB-CG2 4.27Å; A34-V115 CarbonylContact O-C 3.52Å; A34-V115 VanDerWaalsContact O-CA 3.26Å; A34-V115 WeakPolarHBondContact O-CA 3.36Å; A34-S116 PolarHBondContact O-N 2.85Å
35	S	96.9	Very high	87.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.8	172.4	-59.3	0	0	0	0	110.3	G69 G70 D79 S116	S35-G69 CarbonylContact O-C 3.18Å; S35-G69 WeakPolarHBondContact O-CA 3.48Å; S35-G70 PolarHBondContact N-O 3.36Å; S35-G70 PolarHBondContact O-N 2.84Å; S35-D79 WeakPolarHBondContact CB-O 3.38Å; S35-D79 WeakPolarHBondContact OG-CA 3.36Å; S35-D79 WeakPolarHBondContact OG-CB 3.4Å; S35-D79 PolarHBondContact OG-O 3.4Å; S35-S116 VanDerWaalsContact CA-O 3.28Å; S35-S116 WeakPolarHBondContact CA-O 3.31Å
36	V	98.5	Very high	88.6	Confident	21 Å²	21	49.3 Å²	49.3	13%	0.127	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.2	171.9	-62.9	0	0	0	0	109.6	F67 P68 V115 S116 P117 V118 L188	V36-F67 HydrophobicContact CB-CB 3.94Å; V36-F67 HydrophobicContact CG1-CB 4.48Å; V36-F67 HydrophobicContact CG2-CB 4.41Å; V36-P68 CarbonylContact C-O 3.52Å; V36-P68 VanDerWaalsContact CA-O 3.29Å; V36-P68 WeakPolarHBondContact CA-O 3.12Å; V36-V115 HydrophobicContact CG1-CG1 3.94Å; V36-V115 HydrophobicContact CG2-CG1 4.04Å; V36-S116 PolarHBondContact N-O 2.82Å; V36-P117 HydrophobicContact CG2-CB 4.18Å; V36-V118 PolarHBondContact O-N 3.05Å; V36-L188 HydrophobicContact CG2-CD1 3.94Å
37	L	98.9	Very high	90	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.6	169	-178.1	65.2	0	0	0	109	P39 F67 P68 A83 A87 L93 V98 V118	L37-P39 VanDerWaalsContact C-CD 3.46Å; L37-P39 HydrophobicContact CD2-CB 4.31Å; L37-P39 HydrophobicContact CG-CB 4.36Å; L37-P39 WeakPolarHBondContact O-CD 3.17Å; L37-F67 WeakPolarHBondContact O-CB 3.33Å; L37-P68 PolarHBondContact N-O 2.77Å; L37-P68 WeakPolarHBondContact O-CD 3.3Å; L37-A83 HydrophobicContact CB-CB 4.24Å; L37-A87 HydrophobicContact CB-CB 4.29Å; L37-A87 HydrophobicContact CD2-CB 3.59Å; L37-L93 HydrophobicContact CD2-CD2 3.53Å; L37-V98 HydrophobicContact CD1-CG1 4.17Å; L37-V98 HydrophobicContact CD2-CG2 4.44Å; L37-V118 CarbonylContact C-O 3.57Å; L37-V118 WeakPolarHBondContact CA-O 3.31Å; L37-V118 HydrophobicContact CD1-CG1 4.33Å
38	I	98.9	Very high	91.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	88.2	168.1	-56.2	176.5	0	0	0	106.7	L40 F67 P117 V118 V119 G120 L188 V192	I38-L40 HydrophobicContact CG2-CD2 4.17Å; I38-L40 PolarHBondContact O-N 3.37Å; I38-F67 HydrophobicContact CB-CD1 4.32Å; I38-F67 HydrophobicContact CB-CE1 4.22Å; I38-F67 HydrophobicContact CD1-CD2 4.5Å; I38-F67 HydrophobicContact CD1-CE2 4.22Å; I38-F67 HydrophobicContact CD1-CZ 4.44Å; I38-F67 HydrophobicContact CG1-CD1 4.06Å; I38-F67 HydrophobicContact CG1-CD2 4Å; I38-F67 HydrophobicContact CG1-CE1 4.1Å; I38-F67 HydrophobicContact CG1-CE2 4.03Å; I38-F67 HydrophobicContact CG1-CG 4.02Å; I38-F67 HydrophobicContact CG1-CZ 4.08Å; I38-F67 HydrophobicContact CG2-CD1 4.3Å; I38-F67 HydrophobicContact CG2-CE1 3.72Å; I38-F67 HydrophobicContact CG2-CZ 3.94Å; I38-P117 HydrophobicContact CD1-CB 3.98Å; I38-V118 PolarHBondContact N-O 3.02Å; I38-V119 HydrophobicContact CB-CG2 4.29Å; I38-V119 HydrophobicContact CD1-CG2 4.37Å; I38-G120 PolarHBondContact O-N 2.94Å; I38-L188 HydrophobicContact CD1-CB 4.15Å; I38-V192 HydrophobicContact CD1-CG2 3.71Å; I38-V192 HydrophobicContact CG2-CG1 4.24Å; I38-V192 HydrophobicContact CG2-CG2 4.23Å
39	P	98.7	Very high	92.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.7	-176.2	30.7	-34.9	0	0	0	110.4	L37 T49 L50 G120 I122	L37-P39 VanDerWaalsContact C-CD 3.46Å; L37-P39 HydrophobicContact CD2-CB 4.31Å; L37-P39 HydrophobicContact CG-CB 4.36Å; L37-P39 WeakPolarHBondContact O-CD 3.17Å; P39-T49 VanDerWaalsContact O-CA 3.22Å; P39-T49 WeakPolarHBondContact O-CA 3.2Å; P39-T49 PolarHBondContact O-OG1 2.86Å; P39-T49 VanDerWaalsContact O-OG1 3.08Å; P39-L50 HydrophobicContact CG-CB 3.76Å; P39-L50 HydrophobicContact CG-CG 4.35Å; P39-L50 PolarHBondContact O-N 2.95Å; P39-G120 CarbonylContact C-O 3.5Å; P39-G120 WeakPolarHBondContact CA-O 3.29Å; P39-I122 HydrophobicContact CB-CD1 4.04Å; P39-I122 HydrophobicContact CB-CG1 4.45Å; P39-I122 HydrophobicContact CB-CG2 4.27Å
40	L	98.8	Very high	94.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.6	176.7	-59.9	-174.2	0	0	0	111.4	T12 L16 I38 H48 V119 G120 F121 I122 L143 V192	T12-L40 HydrophobicContact CG2-CD1 4.39Å; L16-L40 HydrophobicContact CD1-CD1 3.92Å; I38-L40 HydrophobicContact CG2-CD2 4.17Å; I38-L40 PolarHBondContact O-N 3.37Å; L40-H48 WeakPolarHBondContact CA-O 3.17Å; L40-V119 HydrophobicContact CD1-CG1 3.67Å; L40-V119 HydrophobicContact CG-CG1 3.97Å; L40-G120 PolarHBondContact N-O 2.83Å; L40-F121 HydrophobicContact CB-CD1 4.04Å; L40-F121 HydrophobicContact CB-CD2 4.49Å; L40-F121 HydrophobicContact CB-CE1 3.87Å; L40-F121 HydrophobicContact CB-CE2 4.33Å; L40-F121 HydrophobicContact CB-CG 4.35Å; L40-F121 HydrophobicContact CB-CZ 4.02Å; L40-F121 HydrophobicContact CD1-CE2 4.27Å; L40-F121 HydrophobicContact CD1-CZ 4.25Å; L40-F121 CarbonylContact O-C 3.52Å; L40-F121 VanDerWaalsContact O-CA 3.28Å; L40-F121 WeakPolarHBondContact O-CA 3.41Å; L40-F121 WeakPolarHBondContact O-CD1 3.43Å; L40-I122 PolarHBondContact O-N 3.3Å; L40-L143 HydrophobicContact CD2-CD1 3.86Å; L40-L143 HydrophobicContact CD2-CD2 4.1Å; L40-L143 HydrophobicContact CD2-CG 4.26Å; L40-V192 HydrophobicContact CD1-CG1 4Å; L40-V192 HydrophobicContact CD2-CG1 4.09Å
41	F	98.4	Very high	96.1	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	159.9	170.9	62.9	-81.8	0	0	0	110.8	R43 L47 H48 L50 I122 E124 A140	F41-R43 HydrophobicContact CD2-CB 4.16Å; F41-R43 HydrophobicContact CE2-CB 3.92Å; F41-L47 WeakPolarHBondContact O-CA 3.33Å; F41-H48 HydrophobicContact CD1-CB 4.17Å; F41-H48 HydrophobicContact CD2-CB 4.15Å; F41-H48 HydrophobicContact CE1-CB 3.63Å; F41-H48 HydrophobicContact CE2-CB 3.62Å; F41-H48 HydrophobicContact CG-CB 4.4Å; F41-H48 HydrophobicContact CZ-CB 3.35Å; F41-H48 PolarHBondContact N-O 3.04Å; F41-H48 VanDerWaalsContact N-O 3.07Å; F41-H48 PolarHBondContact O-N 3.07Å; F41-L50 HydrophobicContact CE1-CD2 3.8Å; F41-L50 HydrophobicContact CE1-CG 3.9Å; F41-L50 HydrophobicContact CZ-CD2 4.23Å; F41-I122 HydrophobicContact CB-CG1 3.91Å; F41-I122 WeakPolarHBondContact CB-O 3.32Å; F41-I122 HydrophobicContact CD1-CD1 4.21Å; F41-I122 HydrophobicContact CD1-CG1 4.21Å; F41-I122 HydrophobicContact CG-CG1 4.41Å; F41-E124 HydrophobicContact CD2-CB 4.43Å; F41-E124 HydrophobicContact CD2-CG 4.45Å; F41-A140 HydrophobicContact CE1-CB 4.44Å; F41-A140 HydrophobicContact CZ-CB 3.78Å
42	V	98.1	Very high	97	Very high	23 Å²	23	26.4 Å²	26.4	14%	0.139	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.8	177.1	-180	0	0	0	0	108.7	T5 L8 K9 Q46 L47 F121	T5-V42 HydrophobicContact CG2-CG1 3.94Å; L8-V42 HydrophobicContact CD2-CG1 4.26Å; L8-V42 HydrophobicContact CD2-CG2 4.29Å; L8-V42 HydrophobicContact CG-CG2 4.49Å; K9-V42 HydrophobicContact CB-CG2 4.38Å; V42-Q46 WeakPolarHBondContact CA-O 3.48Å; V42-L47 HydrophobicContact CG2-CD2 4.01Å; V42-F121 HydrophobicContact CG2-CE1 4.43Å
43	R	95.8	Very high	97.5	Very high	99 Å²	99	24.3 Å²	24.3	37%	0.374	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.4	173.7	164.2	174.5	-57.3	161.6	8.9	109	F41 G45 Q46 H48 E124	F41-R43 HydrophobicContact CD2-CB 4.16Å; F41-R43 HydrophobicContact CE2-CB 3.92Å; R43-G45 PolarHBondContact O-N 3.31Å; R43-G45 VanDerWaalsContact O-N 3.15Å; R43-Q46 PolarHBondContact N-O 3.47Å; R43-Q46 PolarHBondContact O-N 3.11Å; R43-H48 PolarHBondContact O-CE1 3.25Å; R43-E124 HydrophobicContact CB-CG 4.35Å; R43-E124 VanDerWaalsContact CB-OE1 3.24Å; R43-E124 WeakPolarHBondContact CB-OE1 3.36Å; R43-E124 WeakPolarHBondContact CG-OE1 3.49Å; R43-E124 IonicContact NE-OE1 2.72Å; R43-E124 PolarHBondContact NE-OE1 2.91Å; R43-E124 VanDerWaalsContact NE-OE1 3.13Å
44	G	94.3	Very high	97.7	Very high	78 Å²	78	23 Å²	23	80%	0.804	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	31.9	179.9	0	0	0	0	0	114.1	Q46	G44-Q46 VanDerWaalsContact C-N 3.31Å; G44-Q46 PolarHBondContact O-N 3.33Å
45	G	95.3	Very high	97.8	Very high	43 Å²	43	23.1 Å²	23.1	44%	0.443	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	13.2	-177	0	0	0	0	0	115.1	L8 R43	L8-G45 WeakPolarHBondContact CD2-O 3.32Å; R43-G45 PolarHBondContact O-N 3.31Å; R43-G45 VanDerWaalsContact O-N 3.15Å
46	Q	97.1	Very high	97.6	Very high	108 Å²	108	30.9 Å²	30.9	51%	0.505	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.8	178.7	-63.3	-179.7	-32.4	0	0	110.9	V42 R43 G44 H48	V42-Q46 WeakPolarHBondContact CA-O 3.48Å; R43-Q46 PolarHBondContact N-O 3.47Å; R43-Q46 PolarHBondContact O-N 3.11Å; G44-Q46 VanDerWaalsContact C-N 3.31Å; G44-Q46 PolarHBondContact O-N 3.33Å; Q46-H48 PolarHBondContact O-ND1 2.8Å
47	L	98.2	Very high	97.3	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135.1	171.3	-71.8	167.7	0	0	0	110.5	L8 T12 F41 V42 F121 L143 L197	L8-L47 HydrophobicContact CD1-CD1 4.41Å; L8-L47 HydrophobicContact CD1-CG 4.47Å; L8-L47 HydrophobicContact CD2-CG 4.11Å; L8-L47 HydrophobicContact CG-CD2 4.5Å; L8-L47 HydrophobicContact CG-CG 4.22Å; T12-L47 HydrophobicContact CG2-CD1 4.02Å; T12-L47 HydrophobicContact CG2-CD2 4.48Å; F41-L47 WeakPolarHBondContact O-CA 3.33Å; V42-L47 HydrophobicContact CG2-CD2 4.01Å; L47-F121 HydrophobicContact CD2-CE1 3.81Å; L47-F121 HydrophobicContact CD2-CZ 3.82Å; L47-L143 HydrophobicContact CB-CB 4.19Å; L47-L143 HydrophobicContact CB-CD1 3.72Å; L47-L143 HydrophobicContact CB-CG 4.01Å; L47-L143 HydrophobicContact CD1-CD1 4.02Å; L47-L143 HydrophobicContact CG-CD1 4.45Å; L47-L143 PolarHBondContact O-N 2.86Å; L47-L197 HydrophobicContact CD1-CD2 4.15Å
48	H	98.7	Very high	96.8	Very high	16 Å²	16	39.7 Å²	39.7	7%	0.074	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.9	174.6	-67.2	72.5	0	0	0	109.6	L40 F41 R43 Q46 V141	L40-H48 WeakPolarHBondContact CA-O 3.17Å; F41-H48 HydrophobicContact CD1-CB 4.17Å; F41-H48 HydrophobicContact CD2-CB 4.15Å; F41-H48 HydrophobicContact CE1-CB 3.63Å; F41-H48 HydrophobicContact CE2-CB 3.62Å; F41-H48 HydrophobicContact CG-CB 4.4Å; F41-H48 HydrophobicContact CZ-CB 3.35Å; F41-H48 PolarHBondContact N-O 3.04Å; F41-H48 VanDerWaalsContact N-O 3.07Å; F41-H48 PolarHBondContact O-N 3.07Å; R43-H48 PolarHBondContact O-CE1 3.25Å; Q46-H48 PolarHBondContact O-ND1 2.8Å; H48-V141 CarbonylContact C-O 3.55Å; H48-V141 VanDerWaalsContact CA-O 3.31Å; H48-V141 WeakPolarHBondContact CA-O 3.36Å
49	T	98.8	Very high	96.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.6	167.3	-167.9	0	0	0	0	110.7	P39 F67 A140 V141 L143 F146	P39-T49 VanDerWaalsContact O-CA 3.22Å; P39-T49 WeakPolarHBondContact O-CA 3.2Å; P39-T49 PolarHBondContact O-OG1 2.86Å; P39-T49 VanDerWaalsContact O-OG1 3.08Å; T49-F67 HydrophobicContact CG2-CE1 4.14Å; T49-F67 WeakPolarHBondContact OG1-CE1 3.18Å; T49-A140 WeakPolarHBondContact O-CA 3.4Å; T49-V141 PolarHBondContact N-O 3.4Å; T49-V141 PolarHBondContact O-N 3.16Å; T49-L143 HydrophobicContact CG2-CD2 3.99Å; T49-F146 HydrophobicContact CG2-CE2 4.07Å
50	L	98.6	Very high	95.5	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.058	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	143.8	166.7	-59.1	175.5	0	0	0	110.9	P39 F41 I91 I122 F126 P128 V138 F139 A140	P39-L50 HydrophobicContact CG-CB 3.76Å; P39-L50 HydrophobicContact CG-CG 4.35Å; P39-L50 PolarHBondContact O-N 2.95Å; F41-L50 HydrophobicContact CE1-CD2 3.8Å; F41-L50 HydrophobicContact CE1-CG 3.9Å; F41-L50 HydrophobicContact CZ-CD2 4.23Å; L50-I91 HydrophobicContact CD1-CD1 4.39Å; L50-I122 HydrophobicContact CD1-CD1 3.73Å; L50-I122 HydrophobicContact CG-CD1 4.4Å; L50-F126 HydrophobicContact CD1-CD1 4.07Å; L50-F126 HydrophobicContact CD1-CE1 4.04Å; L50-P128 HydrophobicContact CD1-CG 3.98Å; L50-V138 HydrophobicContact CB-CG1 4.38Å; L50-V138 HydrophobicContact CD2-CG1 4.4Å; L50-F139 WeakPolarHBondContact CA-O 3.33Å; L50-A140 HydrophobicContact CD2-CB 4.03Å
51	L	98.8	Very high	94.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.2	169.1	-69	175	0	0	0	109.6	V65 F67 V138 F139 V141 F146 I181 T185	L51-V65 HydrophobicContact CB-CG1 3.91Å; L51-V65 HydrophobicContact CD1-CG1 3.83Å; L51-V65 HydrophobicContact CD2-CG1 4.49Å; L51-V65 HydrophobicContact CG-CG1 4.31Å; L51-F67 HydrophobicContact CD2-CD1 3.47Å; L51-F67 VanDerWaalsContact CD2-CD1 3.47Å; L51-F67 HydrophobicContact CD2-CD2 4.3Å; L51-F67 HydrophobicContact CD2-CE1 3.39Å; L51-F67 HydrophobicContact CD2-CE2 4.25Å; L51-F67 HydrophobicContact CD2-CG 3.93Å; L51-F67 HydrophobicContact CD2-CZ 3.82Å; L51-F67 HydrophobicContact CG-CE1 4.4Å; L51-V138 WeakPolarHBondContact O-CA 3.13Å; L51-F139 HydrophobicContact CB-CE1 4.13Å; L51-F139 HydrophobicContact CB-CE2 3.99Å; L51-F139 HydrophobicContact CB-CZ 3.78Å; L51-F139 HydrophobicContact CD1-CE2 4.1Å; L51-F139 HydrophobicContact CD1-CZ 4.24Å; L51-F139 PolarHBondContact N-O 2.69Å; L51-F139 PolarHBondContact O-N 3.49Å; L51-V141 HydrophobicContact CD1-CG2 3.96Å; L51-F146 HydrophobicContact CD1-CZ 4.16Å; L51-I181 HydrophobicContact CD1-CD1 3.68Å; L51-I181 HydrophobicContact CD1-CG1 4.21Å; L51-I181 HydrophobicContact CD1-CG2 4.18Å; L51-T185 HydrophobicContact CD2-CG2 3.76Å
52	T	98.6	Very high	94.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.5	176	67.7	0	0	0	0	109.9	V65 C66 P68 I91 V135 A137 V138	T52-V65 VanDerWaalsContact O-CA 3.3Å; T52-V65 WeakPolarHBondContact O-CA 3.28Å; T52-C66 PolarHBondContact N-O 2.84Å; T52-C66 PolarHBondContact O-N 2.88Å; T52-C66 PolarHBondContact OG1-O 3.27Å; T52-C66 PolarHBondContact OG1-SG 2.67Å; T52-C66 VanDerWaalsContact OG1-SG 3.38Å; T52-P68 HydrophobicContact CG2-CG 3.9Å; T52-I91 HydrophobicContact CG2-CG2 3.58Å; T52-V135 HydrophobicContact CG2-CG1 4.27Å; T52-V135 HydrophobicContact CG2-CG2 4.33Å; T52-A137 CarbonylContact C-O 3.51Å; T52-A137 WeakPolarHBondContact CA-O 3.35Å; T52-V138 HydrophobicContact CG2-CG2 4.27Å
53	L	98.4	Very high	94.2	Very high	38 Å²	38	58.2 Å²	58.2	20%	0.199	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.6	162.5	178.5	68.3	0	0	0	107.4	G63 V65 S136 A137 Y179	L53-G63 VanDerWaalsContact CD1-O 3.26Å; L53-G63 WeakPolarHBondContact CD1-O 3.44Å; L53-V65 HydrophobicContact CD1-CG2 4.07Å; L53-S136 PolarHBondContact O-N 3.15Å; L53-A137 HydrophobicContact CB-CB 4Å; L53-A137 HydrophobicContact CD2-CB 4.46Å; L53-A137 PolarHBondContact N-O 2.99Å; L53-Y179 HydrophobicContact CB-CE1 4.22Å; L53-Y179 HydrophobicContact CD2-CE1 4.07Å
54	R	97.4	Very high	94.3	Very high	31 Å²	31	57.7 Å²	57.7	12%	0.117	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.7	-179.9	-66	-169.9	71.9	73.1	4	111.5	L58 G61 G63 E64 C66 E90 E134	R54-L58 HydrophobicContact CB-CD1 3.89Å; R54-L58 HydrophobicContact CG-CD1 4.48Å; R54-L58 VanDerWaalsContact NH2-CD1 3.33Å; R54-G61 VanDerWaalsContact CB-O 3.28Å; R54-G61 WeakPolarHBondContact CB-O 3.28Å; R54-G61 WeakPolarHBondContact CD-O 3.41Å; R54-G63 WeakPolarHBondContact O-CA 3.2Å; R54-G63 PolarHBondContact O-N 2.9Å; R54-E64 WeakPolarHBondContact CB-O 3.09Å; R54-E64 WeakPolarHBondContact CG-O 3.21Å; R54-E64 PolarHBondContact N-O 3.48Å; R54-C66 VanDerWaalsContact CD-SG 3.56Å; R54-C66 WeakPolarHBondContact CG-SG 3.3Å; R54-E90 IonicContact NH1-OE1 2.65Å; R54-E90 PolarHBondContact NH1-OE1 3.06Å; R54-E134 WeakPolarHBondContact CA-O 3.48Å
55	S	95.9	Very high	94.5	Very high	7 Å²	7	54.3 Å²	54.3	5%	0.049	28%	0.28	C	S	.	.			trans	-54.5	141	175.3	177.3	0	0	0	0	111.8	E57 L58 A62 E134 S136	S55-E57 PolarHBondContact O-N 3Å; S55-E57 PolarHBondContact OG-N 2.89Å; S55-L58 WeakPolarHBondContact O-CB 3.07Å; S55-L58 PolarHBondContact O-N 2.92Å; S55-A62 WeakPolarHBondContact O-CA 3.43Å; S55-E134 WeakPolarHBondContact CB-O 3.4Å; S55-E134 PolarHBondContact N-O 2.88Å; S55-S136 WeakPolarHBondContact CA-OG 3.49Å
56	K	93	Very high	94.6	Very high	164 Å²	164	53.2 Å²	53.2	71%	0.713	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.1	176.9	-68.2	-174.5	179.4	178.9	0	112.9	L58 A62	K56-L58 VanDerWaalsContact C-N 3.26Å; K56-L58 PolarHBondContact O-N 3.28Å; K56-A62 WeakPolarHBondContact O-CB 3.39Å
57	E	91.8	Very high	94.7	Very high	168 Å²	168	48.2 Å²	48.2	79%	0.785	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.5	179.6	-55.5	-51.8	133.2	0	0	113	S55	S55-E57 PolarHBondContact O-N 3Å; S55-E57 PolarHBondContact OG-N 2.89Å
58	L	89.4	Confident	94.7	Very high	38 Å²	38	48 Å²	48	20%	0.199	24%	0.241	C	C	.	.			trans	-73.5	136.2	-179.3	-70	166.7	0	0	0	111.5	R54 S55 K56 T60 A62 E134	R54-L58 HydrophobicContact CB-CD1 3.89Å; R54-L58 HydrophobicContact CG-CD1 4.48Å; R54-L58 VanDerWaalsContact NH2-CD1 3.33Å; S55-L58 WeakPolarHBondContact O-CB 3.07Å; S55-L58 PolarHBondContact O-N 2.92Å; K56-L58 VanDerWaalsContact C-N 3.26Å; K56-L58 PolarHBondContact O-N 3.28Å; L58-T60 PolarHBondContact O-N 3.15Å; L58-T60 VanDerWaalsContact O-N 3.11Å; L58-A62 VanDerWaalsContact O-CB 3.3Å; L58-A62 WeakPolarHBondContact O-CB 3.46Å; L58-E134 WeakPolarHBondContact CD1-O 3.22Å
59	R	86.9	Confident	94.7	Very high	251 Å²	251	47.6 Å²	47.6	95%	0.947	24%	0.242	S	C	*	.	S	Bend	trans	-60.8	-25.1	177.1	-66	-178.1	180	176.6	0.5	113.6
60	T	83.3	Confident	94.5	Very high	69 Å²	69	48.5 Å²	48.5	42%	0.423	25%	0.251	S	S	.	.	S	Bend	trans	-139.1	135.8	-175.9	66	0	0	0	0	111.7	L58 A62 R111	L58-T60 PolarHBondContact O-N 3.15Å; L58-T60 VanDerWaalsContact O-N 3.11Å; T60-A62 PolarHBondContact O-N 2.85Å; T60-R111 PolarHBondContact OG1-NH1 2.85Å
61	G	82.2	Confident	94.4	Very high	15 Å²	15	54.2 Å²	54.2	16%	0.155	28%	0.275	C	S	.	.	S	Bend	trans	65.8	21.6	-179.9	0	0	0	0	0	113.4	R54 G63 E64	R54-G61 VanDerWaalsContact CB-O 3.28Å; R54-G61 WeakPolarHBondContact CB-O 3.28Å; R54-G61 WeakPolarHBondContact CD-O 3.41Å; G61-G63 PolarHBondContact O-N 2.84Å; G61-E64 WeakPolarHBondContact CA-OE2 3.48Å; G61-E64 WeakPolarHBondContact O-CB 3.41Å; G61-E64 PolarHBondContact O-N 3.46Å
62	A	92.1	Very high	94.2	Very high	47 Å²	47	58.6 Å²	58.6	39%	0.388	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	127.9	177	0	0	0	0	0	111.1	S55 K56 L58 T60 E64	S55-A62 WeakPolarHBondContact O-CA 3.43Å; K56-A62 WeakPolarHBondContact O-CB 3.39Å; L58-A62 VanDerWaalsContact O-CB 3.3Å; L58-A62 WeakPolarHBondContact O-CB 3.46Å; T60-A62 PolarHBondContact O-N 2.85Å; A62-E64 PolarHBondContact O-N 3.02Å
63	G	94.8	Very high	94	Very high	35 Å²	35	62 Å²	62	36%	0.361	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	4.9	-178.3	0	0	0	0	0	115.3	L53 R54 G61	L53-G63 VanDerWaalsContact CD1-O 3.26Å; L53-G63 WeakPolarHBondContact CD1-O 3.44Å; R54-G63 WeakPolarHBondContact O-CA 3.2Å; R54-G63 PolarHBondContact O-N 2.9Å; G61-G63 PolarHBondContact O-N 2.84Å
64	E	96.6	Very high	93.7	Very high	88 Å²	88	66.3 Å²	66.3	41%	0.411	34%	0.34	S	S	.	.			trans	-79	146.2	172.8	-64.8	-176.3	165.8	0	0	110.6	R54 G61 A62 F182	R54-E64 WeakPolarHBondContact CB-O 3.09Å; R54-E64 WeakPolarHBondContact CG-O 3.21Å; R54-E64 PolarHBondContact N-O 3.48Å; G61-E64 WeakPolarHBondContact CA-OE2 3.48Å; G61-E64 WeakPolarHBondContact O-CB 3.41Å; G61-E64 PolarHBondContact O-N 3.46Å; A62-E64 PolarHBondContact O-N 3.02Å; E64-F182 HydrophobicContact CG-CZ 4.41Å
65	V	98.4	Very high	93.6	Very high	6 Å²	6	69.1 Å²	69.1	4%	0.036	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.5	168.9	176.1	0	0	0	0	109.6	L51 T52 L53 F139 Y179 H180 I181 T185	L51-V65 HydrophobicContact CB-CG1 3.91Å; L51-V65 HydrophobicContact CD1-CG1 3.83Å; L51-V65 HydrophobicContact CD2-CG1 4.49Å; L51-V65 HydrophobicContact CG-CG1 4.31Å; T52-V65 VanDerWaalsContact O-CA 3.3Å; T52-V65 WeakPolarHBondContact O-CA 3.28Å; L53-V65 HydrophobicContact CD1-CG2 4.07Å; V65-F139 HydrophobicContact CG1-CE1 4.23Å; V65-F139 HydrophobicContact CG1-CZ 3.65Å; V65-F139 HydrophobicContact CG2-CE1 4.34Å; V65-F139 HydrophobicContact CG2-CZ 4.05Å; V65-Y179 HydrophobicContact CG2-CD1 4.25Å; V65-H180 WeakPolarHBondContact CG2-O 3.21Å; V65-I181 HydrophobicContact CG1-CG1 4.1Å; V65-I181 HydrophobicContact CG1-CG2 4.45Å; V65-T185 PolarHBondContact O-OG1 3.3Å
66	C	98.1	Very high	93.5	Very high	20 Å²	20	69 Å²	69	14%	0.135	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	169.5	176.2	64.8	0	0	0	0	112.6	T52 R54	T52-C66 PolarHBondContact N-O 2.84Å; T52-C66 PolarHBondContact O-N 2.88Å; T52-C66 PolarHBondContact OG1-O 3.27Å; T52-C66 PolarHBondContact OG1-SG 2.67Å; T52-C66 VanDerWaalsContact OG1-SG 3.38Å; R54-C66 VanDerWaalsContact CD-SG 3.56Å; R54-C66 WeakPolarHBondContact CG-SG 3.3Å
67	F	98.7	Very high	93.6	Very high	4 Å²	4	70.5 Å²	70.5	2%	0.018	36%	0.364	C	S	.	.			trans	-71.2	153.9	160.7	-73.7	-64.5	0	0	0	109.9	V36 L37 I38 T49 L51 G69 T185 L188 A189	V36-F67 HydrophobicContact CB-CB 3.94Å; V36-F67 HydrophobicContact CG1-CB 4.48Å; V36-F67 HydrophobicContact CG2-CB 4.41Å; L37-F67 WeakPolarHBondContact O-CB 3.33Å; I38-F67 HydrophobicContact CB-CD1 4.32Å; I38-F67 HydrophobicContact CB-CE1 4.22Å; I38-F67 HydrophobicContact CD1-CD2 4.5Å; I38-F67 HydrophobicContact CD1-CE2 4.22Å; I38-F67 HydrophobicContact CD1-CZ 4.44Å; I38-F67 HydrophobicContact CG1-CD1 4.06Å; I38-F67 HydrophobicContact CG1-CD2 4Å; I38-F67 HydrophobicContact CG1-CE1 4.1Å; I38-F67 HydrophobicContact CG1-CE2 4.03Å; I38-F67 HydrophobicContact CG1-CG 4.02Å; I38-F67 HydrophobicContact CG1-CZ 4.08Å; I38-F67 HydrophobicContact CG2-CD1 4.3Å; I38-F67 HydrophobicContact CG2-CE1 3.72Å; I38-F67 HydrophobicContact CG2-CZ 3.94Å; T49-F67 HydrophobicContact CG2-CE1 4.14Å; T49-F67 WeakPolarHBondContact OG1-CE1 3.18Å; L51-F67 HydrophobicContact CD2-CD1 3.47Å; L51-F67 VanDerWaalsContact CD2-CD1 3.47Å; L51-F67 HydrophobicContact CD2-CD2 4.3Å; L51-F67 HydrophobicContact CD2-CE1 3.39Å; L51-F67 HydrophobicContact CD2-CE2 4.25Å; L51-F67 HydrophobicContact CD2-CG 3.93Å; L51-F67 HydrophobicContact CD2-CZ 3.82Å; L51-F67 HydrophobicContact CG-CE1 4.4Å; F67-G69 PolarHBondContact O-N 2.71Å; F67-T185 HydrophobicContact CD2-CG2 4.12Å; F67-T185 HydrophobicContact CE2-CG2 4.09Å; F67-L188 HydrophobicContact CD2-CB 4.42Å; F67-L188 HydrophobicContact CD2-CD1 4.44Å; F67-L188 HydrophobicContact CE2-CB 3.85Å; F67-A189 HydrophobicContact CE2-CB 4.33Å; F67-A189 HydrophobicContact CZ-CB 3.97Å
68	P	98.4	Very high	93.6	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-55	133.4	168.9	-20.3	29.4	0	0	0	110.8	V36 L37 T52 A87 E90 I91	V36-P68 CarbonylContact C-O 3.52Å; V36-P68 VanDerWaalsContact CA-O 3.29Å; V36-P68 WeakPolarHBondContact CA-O 3.12Å; L37-P68 PolarHBondContact N-O 2.77Å; L37-P68 WeakPolarHBondContact O-CD 3.3Å; T52-P68 HydrophobicContact CG2-CG 3.9Å; P68-A87 HydrophobicContact CB-CB 4Å; P68-E90 VanDerWaalsContact CA-OE2 3.23Å; P68-E90 WeakPolarHBondContact CA-OE2 3.36Å; P68-I91 HydrophobicContact CG-CD1 3.84Å; P68-I91 HydrophobicContact CG-CG1 4.41Å
69	G	97.8	Very high	93.9	Very high	8 Å²	8	65.4 Å²	65.4	8%	0.082	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.2	165.4	-178.6	0	0	0	0	0	115	S35 F67 E90	S35-G69 CarbonylContact O-C 3.18Å; S35-G69 WeakPolarHBondContact O-CA 3.48Å; F67-G69 PolarHBondContact O-N 2.71Å; G69-E90 PolarHBondContact N-OE2 2.72Å
70	G	95.9	Very high	94.3	Very high	18 Å²	18	55 Å²	55	19%	0.186	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-167.1	-172.1	0	0	0	0	0	113	A34 S35 E86	A34-G70 CarbonylContact C-O 3.23Å; A34-G70 WeakPolarHBondContact CA-O 3.41Å; A34-G70 WeakPolarHBondContact CB-O 3.37Å; S35-G70 PolarHBondContact N-O 3.36Å; S35-G70 PolarHBondContact O-N 2.84Å; G70-E86 VanDerWaalsContact CA-CD 3.44Å
71	K	95.8	Very high	95	Very high	132 Å²	132	53.1 Å²	53.1	57%	0.574	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	147.6	-178.1	-71.9	-177.7	-179.8	179.5	0	109.4	D73 R85 L113	K71-D73 PolarHBondContact O-N 3.23Å; K71-R85 PolarHBondContact O-NH2 2.94Å; K71-L113 HydrophobicContact CG-CD1 4.08Å
72	R	94.9	Very high	95.8	Very high	91 Å²	91	52.4 Å²	52.4	34%	0.343	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-65.2	128.9	171.6	-175.3	166.5	179.1	170.7	-1.8	110.5	K33 D76 R77 D79 T82	K33-R72 HydrophobicContact CB-CB 4.08Å; K33-R72 PolarHBondContact O-N 3.28Å; R72-D76 HydrophobicContact CG-CB 3.99Å; R72-D76 PolarHBondContact NE-O 2.9Å; R72-D76 PolarHBondContact NH2-O 2.76Å; R72-R77 PolarHBondContact NH2-O 2.88Å; R72-D79 IonicContact NH1-OD1 2.71Å; R72-D79 PolarHBondContact NH1-OD1 3.07Å; R72-T82 HydrophobicContact CB-CG2 4.19Å
73	D	94.5	Very high	96.1	Very high	71 Å²	71	50.2 Å²	50.2	38%	0.38	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-88.4	149.5	170.4	-171.5	-87.1	0	0	0	110.3	K71 S75 D76	K71-D73 PolarHBondContact O-N 3.23Å; D73-S75 PolarHBondContact O-N 3.28Å; D73-S75 VanDerWaalsContact O-N 3.13Å; D73-S75 VanDerWaalsContact OD1-CB 3.3Å; D73-S75 WeakPolarHBondContact OD1-CB 3.3Å; D73-S75 PolarHBondContact OD1-N 3.03Å; D73-S75 PolarHBondContact OD1-OG 2.82Å; D73-D76 WeakPolarHBondContact CB-OD2 3.45Å; D73-D76 PolarHBondContact N-OD2 3.08Å; D73-D76 WeakPolarHBondContact O-CB 3.23Å; D73-D76 PolarHBondContact O-N 3.02Å
74	P	92.9	Very high	96.3	Very high	130 Å²	130	49.4 Å²	49.4	84%	0.844	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.2	174.1	-27.7	36.8	0	0	0	115.1
75	S	93.8	Very high	96.3	Very high	89 Å²	89	47.6 Å²	47.6	62%	0.622	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.8	176.4	62.8	0	0	0	0	114.2	D73 R77	D73-S75 PolarHBondContact O-N 3.28Å; D73-S75 VanDerWaalsContact O-N 3.13Å; D73-S75 VanDerWaalsContact OD1-CB 3.3Å; D73-S75 WeakPolarHBondContact OD1-CB 3.3Å; D73-S75 PolarHBondContact OD1-N 3.03Å; D73-S75 PolarHBondContact OD1-OG 2.82Å; S75-R77 PolarHBondContact O-N 2.91Å
76	D	95.3	Very high	96.4	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.032	25%	0.248	C	C	.	.			trans	-70.6	122.5	-179.8	-66.8	-35.5	0	0	0	110.6	R72 D73 D78 T82 R85	R72-D76 HydrophobicContact CG-CB 3.99Å; R72-D76 PolarHBondContact NE-O 2.9Å; R72-D76 PolarHBondContact NH2-O 2.76Å; D73-D76 WeakPolarHBondContact CB-OD2 3.45Å; D73-D76 PolarHBondContact N-OD2 3.08Å; D73-D76 WeakPolarHBondContact O-CB 3.23Å; D73-D76 PolarHBondContact O-N 3.02Å; D76-D78 PolarHBondContact O-N 3.26Å; D76-T82 WeakPolarHBondContact CB-OG1 3.26Å; D76-T82 PolarHBondContact OD2-OG1 3.04Å; D76-R85 IonicContact OD1-CZ 3.67Å; D76-R85 IonicContact OD1-NE 3.45Å; D76-R85 PolarHBondContact OD1-NE 3.39Å; D76-R85 IonicContact OD1-NH2 2.98Å; D76-R85 IonicContact OD2-CZ 2.99Å; D76-R85 IonicContact OD2-NE 3.46Å; D76-R85 PolarHBondContact OD2-NE 3.36Å; D76-R85 IonicContact OD2-NH2 3.86Å; D76-R85 PolarHBondContact OD2-NH2 3.37Å
77	R	93.9	Very high	96.4	Very high	194 Å²	194	47.2 Å²	47.2	73%	0.732	24%	0.241	S	C	*	.	S	Bend	trans	-62.3	-44.1	-178.1	-65.6	172.9	-71.3	169.4	0.5	111.6	R72 S75 D81	R72-R77 PolarHBondContact NH2-O 2.88Å; S75-R77 PolarHBondContact O-N 2.91Å; R77-D81 HydrophobicContact CB-CB 4.24Å; R77-D81 WeakPolarHBondContact CB-OD2 3.45Å; R77-D81 WeakPolarHBondContact CG-OD2 3.39Å; R77-D81 IonicContact CZ-OD1 3.13Å; R77-D81 IonicContact CZ-OD2 2.71Å; R77-D81 PolarHBondContact N-OD2 3.4Å; R77-D81 IonicContact NE-OD1 2.77Å; R77-D81 PolarHBondContact NE-OD1 3.32Å; R77-D81 IonicContact NE-OD2 2.67Å; R77-D81 PolarHBondContact NE-OD2 3.08Å; R77-D81 IonicContact NH2-OD1 3.12Å; R77-D81 PolarHBondContact NH2-OD1 3.19Å; R77-D81 IonicContact NH2-OD2 3.89Å
78	D	92.7	Very high	96.4	Very high	74 Å²	74	51.8 Å²	51.8	40%	0.396	26%	0.263	S	S	.	.	S	Bend	trans	-152.8	-173.8	-179.4	60.4	38.8	0	0	0	111.6	D76 V80 D81 T82	D76-D78 PolarHBondContact O-N 3.26Å; D78-V80 VanDerWaalsContact C-N 3.28Å; D78-V80 PolarHBondContact O-N 3.4Å; D78-V80 WeakPolarHBondContact OD1-CA 3.45Å; D78-V80 WeakPolarHBondContact OD1-CB 3.38Å; D78-V80 PolarHBondContact OD1-N 2.95Å; D78-D81 PolarHBondContact O-N 3.42Å; D78-D81 PolarHBondContact OD1-N 3.49Å; D78-T82 PolarHBondContact O-N 3.38Å; D78-T82 VanDerWaalsContact O-N 3.14Å; D78-T82 PolarHBondContact O-OG1 3.22Å
79	D	94.4	Very high	96.4	Very high	25 Å²	25	55.8 Å²	55.8	13%	0.134	28%	0.282	C	S	.	.	H	α-helix	trans	-70.5	-25.8	-178.6	-66	-5	0	0	0	112.2	K33 S35 R72 A83 S116	K33-D79 WeakPolarHBondContact CE-OD1 3.42Å; K33-D79 IonicContact NZ-OD1 3.85Å; K33-D79 PolarHBondContact NZ-OD1 2.85Å; K33-D79 IonicContact NZ-OD2 3.29Å; K33-D79 PolarHBondContact NZ-OD2 2.94Å; S35-D79 WeakPolarHBondContact CB-O 3.38Å; S35-D79 WeakPolarHBondContact OG-CA 3.36Å; S35-D79 WeakPolarHBondContact OG-CB 3.4Å; S35-D79 PolarHBondContact OG-O 3.4Å; R72-D79 IonicContact NH1-OD1 2.71Å; R72-D79 PolarHBondContact NH1-OD1 3.07Å; D79-A83 PolarHBondContact O-N 3.33Å; D79-S116 WeakPolarHBondContact OD2-CB 3.33Å; D79-S116 PolarHBondContact OD2-OG 3.33Å
80	V	97.1	Very high	96.4	Very high	32 Å²	32	55.4 Å²	55.4	19%	0.194	28%	0.278	C	S	.	.	H	α-helix	trans	-72.5	-46.5	175.3	175.6	0	0	0	0	109.7	D78 T82 A83 L84 V100 V118	D78-V80 VanDerWaalsContact C-N 3.28Å; D78-V80 PolarHBondContact O-N 3.4Å; D78-V80 WeakPolarHBondContact OD1-CA 3.45Å; D78-V80 WeakPolarHBondContact OD1-CB 3.38Å; D78-V80 PolarHBondContact OD1-N 2.95Å; V80-T82 VanDerWaalsContact C-N 3.26Å; V80-T82 PolarHBondContact O-N 3.45Å; V80-A83 PolarHBondContact O-N 3.34Å; V80-L84 HydrophobicContact CG1-CD1 3.85Å; V80-L84 HydrophobicContact CG1-CG 4.21Å; V80-L84 WeakPolarHBondContact O-CG 3.41Å; V80-L84 PolarHBondContact O-N 2.89Å; V80-V100 HydrophobicContact CG1-CG1 4.11Å; V80-V100 HydrophobicContact CG1-CG2 3.85Å; V80-V100 HydrophobicContact CG2-CG1 4.41Å; V80-V118 HydrophobicContact CG1-CG1 4.34Å; V80-V118 HydrophobicContact CG2-CG1 4.17Å; V80-V118 HydrophobicContact CG2-CG2 4.2Å
81	D	97.6	Very high	96.6	Very high	31 Å²	31	54.6 Å²	54.6	17%	0.166	27%	0.269	C	S	.	.	H	α-helix	trans	-55.9	-43.8	175.9	-152.7	38.5	0	0	0	111	R77 D78 A83 L84 R85	R77-D81 HydrophobicContact CB-CB 4.24Å; R77-D81 WeakPolarHBondContact CB-OD2 3.45Å; R77-D81 WeakPolarHBondContact CG-OD2 3.39Å; R77-D81 IonicContact CZ-OD1 3.13Å; R77-D81 IonicContact CZ-OD2 2.71Å; R77-D81 PolarHBondContact N-OD2 3.4Å; R77-D81 IonicContact NE-OD1 2.77Å; R77-D81 PolarHBondContact NE-OD1 3.32Å; R77-D81 IonicContact NE-OD2 2.67Å; R77-D81 PolarHBondContact NE-OD2 3.08Å; R77-D81 IonicContact NH2-OD1 3.12Å; R77-D81 PolarHBondContact NH2-OD1 3.19Å; R77-D81 IonicContact NH2-OD2 3.89Å; D78-D81 PolarHBondContact O-N 3.42Å; D78-D81 PolarHBondContact OD1-N 3.49Å; D81-A83 PolarHBondContact O-N 3.07Å; D81-L84 PolarHBondContact O-N 3.13Å; D81-R85 WeakPolarHBondContact O-CB 3.45Å; D81-R85 PolarHBondContact O-N 2.99Å
82	T	97.6	Very high	96.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-49.3	173.9	-51.5	0	0	0	0	111.4	R72 D76 D78 V80 L84 E86	R72-T82 HydrophobicContact CB-CG2 4.19Å; D76-T82 WeakPolarHBondContact CB-OG1 3.26Å; D76-T82 PolarHBondContact OD2-OG1 3.04Å; D78-T82 PolarHBondContact O-N 3.38Å; D78-T82 VanDerWaalsContact O-N 3.14Å; D78-T82 PolarHBondContact O-OG1 3.22Å; V80-T82 VanDerWaalsContact C-N 3.26Å; V80-T82 PolarHBondContact O-N 3.45Å; T82-L84 PolarHBondContact O-N 3.26Å; T82-E86 HydrophobicContact CG2-CG 4.49Å; T82-E86 WeakPolarHBondContact O-CB 3.15Å; T82-E86 WeakPolarHBondContact O-CG 3.03Å; T82-E86 PolarHBondContact O-N 3.08Å; T82-E86 VanDerWaalsContact O-N 3.11Å
83	A	98.5	Very high	96.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-39.6	-178	0	0	0	0	0	112.5	L37 D79 V80 D81 A87 V118	L37-A83 HydrophobicContact CB-CB 4.24Å; D79-A83 PolarHBondContact O-N 3.33Å; V80-A83 PolarHBondContact O-N 3.34Å; D81-A83 PolarHBondContact O-N 3.07Å; A83-A87 VanDerWaalsContact O-CB 3.31Å; A83-A87 WeakPolarHBondContact O-CB 3.47Å; A83-A87 PolarHBondContact O-N 2.91Å; A83-V118 HydrophobicContact CB-CB 3.92Å; A83-V118 HydrophobicContact CB-CG1 4.48Å; A83-V118 HydrophobicContact CB-CG2 3.82Å
84	L	98.8	Very high	97.1	Very high	19 Å²	19	43.6 Å²	43.6	10%	0.099	23%	0.232	C	C	.	.	H	α-helix	trans	-71.9	-42.8	-179.5	-65.3	178.1	0	0	0	111.8	V80 D81 T82 A87 Q88 P95 V98 V100	V80-L84 HydrophobicContact CG1-CD1 3.85Å; V80-L84 HydrophobicContact CG1-CG 4.21Å; V80-L84 WeakPolarHBondContact O-CG 3.41Å; V80-L84 PolarHBondContact O-N 2.89Å; D81-L84 PolarHBondContact O-N 3.13Å; T82-L84 PolarHBondContact O-N 3.26Å; L84-A87 PolarHBondContact O-N 2.9Å; L84-Q88 WeakPolarHBondContact O-CB 3.46Å; L84-Q88 PolarHBondContact O-N 3.22Å; L84-P95 HydrophobicContact CB-CB 4.26Å; L84-P95 HydrophobicContact CB-CG 4.33Å; L84-P95 HydrophobicContact CD1-CB 4.21Å; L84-V98 HydrophobicContact CD2-CB 3.81Å; L84-V98 HydrophobicContact CD2-CG1 3.89Å; L84-V98 HydrophobicContact CD2-CG2 3.88Å; L84-V100 HydrophobicContact CD1-CG2 4.26Å; L84-V100 HydrophobicContact CD2-CG2 4.34Å
85	R	98.6	Very high	97.3	Very high	49 Å²	49	39.9 Å²	39.9	19%	0.185	21%	0.208	C	C	.	.	H	α-helix	trans	-58	-51.7	174.7	178.4	-174.5	56.3	66.8	4.3	110.8	K71 D76 D81 A87 Q88 E89	K71-R85 PolarHBondContact O-NH2 2.94Å; D76-R85 IonicContact OD1-CZ 3.67Å; D76-R85 IonicContact OD1-NE 3.45Å; D76-R85 PolarHBondContact OD1-NE 3.39Å; D76-R85 IonicContact OD1-NH2 2.98Å; D76-R85 IonicContact OD2-CZ 2.99Å; D76-R85 IonicContact OD2-NE 3.46Å; D76-R85 PolarHBondContact OD2-NE 3.36Å; D76-R85 IonicContact OD2-NH2 3.86Å; D76-R85 PolarHBondContact OD2-NH2 3.37Å; D81-R85 WeakPolarHBondContact O-CB 3.45Å; D81-R85 PolarHBondContact O-N 2.99Å; R85-A87 VanDerWaalsContact C-N 3.35Å; R85-A87 PolarHBondContact O-N 2.8Å; R85-Q88 WeakPolarHBondContact O-CB 3.13Å; R85-Q88 PolarHBondContact O-N 2.9Å; R85-Q88 VanDerWaalsContact O-N 3.12Å; R85-E89 WeakPolarHBondContact CD-OE1 3.47Å; R85-E89 HydrophobicContact CG-CG 4.48Å; R85-E89 WeakPolarHBondContact CG-OE1 3.42Å; R85-E89 IonicContact CZ-OE1 3.02Å; R85-E89 IonicContact NH1-OE1 2.7Å; R85-E89 PolarHBondContact NH1-OE1 3.46Å; R85-E89 VanDerWaalsContact NH1-OE1 3.09Å; R85-E89 IonicContact NH1-OE2 3.46Å; R85-E89 PolarHBondContact NH1-OE2 2.9Å; R85-E89 WeakPolarHBondContact O-CG 3.36Å; R85-E89 PolarHBondContact O-N 2.98Å
86	E	98.6	Very high	97.5	Very high	18 Å²	18	42.5 Å²	42.5	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-40.1	-179.6	-66.9	-79.4	170.3	0	0	111.8	G70 T82 Q88 E89 E90	G70-E86 VanDerWaalsContact CA-CD 3.44Å; T82-E86 HydrophobicContact CG2-CG 4.49Å; T82-E86 WeakPolarHBondContact O-CB 3.15Å; T82-E86 WeakPolarHBondContact O-CG 3.03Å; T82-E86 PolarHBondContact O-N 3.08Å; T82-E86 VanDerWaalsContact O-N 3.11Å; E86-Q88 VanDerWaalsContact C-N 3.31Å; E86-Q88 PolarHBondContact O-N 3.14Å; E86-E89 PolarHBondContact O-N 3.34Å; E86-E90 VanDerWaalsContact O-CB 3.3Å; E86-E90 WeakPolarHBondContact O-CB 3.31Å; E86-E90 WeakPolarHBondContact O-CG 3.29Å; E86-E90 PolarHBondContact O-N 3.36Å
87	A	98.8	Very high	97.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-35.5	174.6	0	0	0	0	0	112.5	L37 P68 A83 L84 R85 I91 G92 L93	L37-A87 HydrophobicContact CB-CB 4.29Å; L37-A87 HydrophobicContact CD2-CB 3.59Å; P68-A87 HydrophobicContact CB-CB 4Å; A83-A87 VanDerWaalsContact O-CB 3.31Å; A83-A87 WeakPolarHBondContact O-CB 3.47Å; A83-A87 PolarHBondContact O-N 2.91Å; L84-A87 PolarHBondContact O-N 2.9Å; R85-A87 VanDerWaalsContact C-N 3.35Å; R85-A87 PolarHBondContact O-N 2.8Å; A87-I91 WeakPolarHBondContact O-CG1 3.5Å; A87-I91 PolarHBondContact O-N 3.48Å; A87-I91 VanDerWaalsContact O-N 3.08Å; A87-G92 PolarHBondContact O-N 2.92Å; A87-L93 HydrophobicContact CB-CB 4.35Å; A87-L93 HydrophobicContact CB-CD2 4.25Å; A87-L93 PolarHBondContact O-N 2.94Å
88	Q	98.7	Very high	97.9	Very high	100 Å²	100	38.1 Å²	38.1	47%	0.467	20%	0.204	S	C	.	.	H	α-helix	trans	-65.9	-45.2	173.4	-172.3	177.9	-3.1	0	0	111.5	L84 R85 E86 G92 L93	L84-Q88 WeakPolarHBondContact O-CB 3.46Å; L84-Q88 PolarHBondContact O-N 3.22Å; R85-Q88 WeakPolarHBondContact O-CB 3.13Å; R85-Q88 PolarHBondContact O-N 2.9Å; R85-Q88 VanDerWaalsContact O-N 3.12Å; E86-Q88 VanDerWaalsContact C-N 3.31Å; E86-Q88 PolarHBondContact O-N 3.14Å; Q88-G92 WeakPolarHBondContact O-CA 2.98Å; Q88-G92 PolarHBondContact O-N 3.49Å; Q88-L93 VanDerWaalsContact CA-O 3.28Å; Q88-L93 WeakPolarHBondContact CA-O 3.5Å; Q88-L93 WeakPolarHBondContact CB-O 3.39Å
89	E	98.3	Very high	98.2	Very high	84 Å²	84	38.5 Å²	38.5	39%	0.393	20%	0.203	S	C	.	.	H	α-helix	trans	-66.5	-44.5	179.5	-71.4	170.3	-168.1	0	0	112.6	R85 E86 N131	R85-E89 WeakPolarHBondContact CD-OE1 3.47Å; R85-E89 HydrophobicContact CG-CG 4.48Å; R85-E89 WeakPolarHBondContact CG-OE1 3.42Å; R85-E89 IonicContact CZ-OE1 3.02Å; R85-E89 IonicContact NH1-OE1 2.7Å; R85-E89 PolarHBondContact NH1-OE1 3.46Å; R85-E89 VanDerWaalsContact NH1-OE1 3.09Å; R85-E89 IonicContact NH1-OE2 3.46Å; R85-E89 PolarHBondContact NH1-OE2 2.9Å; R85-E89 WeakPolarHBondContact O-CG 3.36Å; R85-E89 PolarHBondContact O-N 2.98Å; E86-E89 PolarHBondContact O-N 3.34Å; E89-N131 VanDerWaalsContact O-CB 3.23Å; E89-N131 WeakPolarHBondContact O-CB 3.48Å
90	E	98.4	Very high	98.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-80.2	-40.3	-173.4	-75.8	-166.3	159	0	0	113	R54 P68 G69 E86 P130 N131 V135	R54-E90 IonicContact NH1-OE1 2.65Å; R54-E90 PolarHBondContact NH1-OE1 3.06Å; P68-E90 VanDerWaalsContact CA-OE2 3.23Å; P68-E90 WeakPolarHBondContact CA-OE2 3.36Å; G69-E90 PolarHBondContact N-OE2 2.72Å; E86-E90 VanDerWaalsContact O-CB 3.3Å; E86-E90 WeakPolarHBondContact O-CB 3.31Å; E86-E90 WeakPolarHBondContact O-CG 3.29Å; E86-E90 PolarHBondContact O-N 3.36Å; E90-P130 WeakPolarHBondContact O-CA 3.16Å; E90-N131 PolarHBondContact O-N 3.37Å; E90-V135 HydrophobicContact CB-CG2 3.79Å; E90-V135 HydrophobicContact CG-CG2 4.16Å
91	I	98.6	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-129.3	5.8	-171.6	67	164.5	0	0	0	114.6	L50 T52 P68 A87 L93 F126 P128 T129 V138	L50-I91 HydrophobicContact CD1-CD1 4.39Å; T52-I91 HydrophobicContact CG2-CG2 3.58Å; P68-I91 HydrophobicContact CG-CD1 3.84Å; P68-I91 HydrophobicContact CG-CG1 4.41Å; A87-I91 WeakPolarHBondContact O-CG1 3.5Å; A87-I91 PolarHBondContact O-N 3.48Å; A87-I91 VanDerWaalsContact O-N 3.08Å; I91-L93 VanDerWaalsContact C-N 3.29Å; I91-L93 HydrophobicContact CD1-CB 4.06Å; I91-L93 HydrophobicContact CD1-CD2 4.32Å; I91-L93 HydrophobicContact CG1-CB 3.92Å; I91-L93 PolarHBondContact O-N 3.43Å; I91-F126 HydrophobicContact CD1-CE1 4.13Å; I91-F126 HydrophobicContact CD1-CZ 4.45Å; I91-P128 HydrophobicContact CB-CB 4.41Å; I91-T129 CarbonylContact C-O 3.58Å; I91-T129 PolarHBondContact O-N 3.47Å; I91-V138 HydrophobicContact CB-CG2 4.37Å; I91-V138 HydrophobicContact CG2-CG2 3.55Å
92	G	98.6	Very high	98.4	Very high	30 Å²	30	37.6 Å²	37.6	31%	0.309	20%	0.2	S	C	.	.			trans	70.7	21.4	178.2	0	0	0	0	0	114	A87 Q88 P94 T129	A87-G92 PolarHBondContact O-N 2.92Å; Q88-G92 WeakPolarHBondContact O-CA 2.98Å; Q88-G92 PolarHBondContact O-N 3.49Å; G92-P94 WeakPolarHBondContact O-CD 3.28Å; G92-T129 PolarHBondContact N-O 3.31Å
93	L	98.7	Very high	98.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.206	C	C	.	.			trans	-80	110.2	-179.3	178.7	58	0	0	0	110.9	L37 A87 Q88 I91 Q97 V98 I122 F126	L37-L93 HydrophobicContact CD2-CD2 3.53Å; A87-L93 HydrophobicContact CB-CB 4.35Å; A87-L93 HydrophobicContact CB-CD2 4.25Å; A87-L93 PolarHBondContact O-N 2.94Å; Q88-L93 VanDerWaalsContact CA-O 3.28Å; Q88-L93 WeakPolarHBondContact CA-O 3.5Å; Q88-L93 WeakPolarHBondContact CB-O 3.39Å; I91-L93 VanDerWaalsContact C-N 3.29Å; I91-L93 HydrophobicContact CD1-CB 4.06Å; I91-L93 HydrophobicContact CD1-CD2 4.32Å; I91-L93 HydrophobicContact CG1-CB 3.92Å; I91-L93 PolarHBondContact O-N 3.43Å; L93-Q97 HydrophobicContact CD1-CB 4.21Å; L93-V98 HydrophobicContact CD1-CG2 4.02Å; L93-V98 HydrophobicContact CD2-CG2 3.66Å; L93-V98 HydrophobicContact CG-CG2 3.7Å; L93-I122 HydrophobicContact CD1-CG2 3.96Å; L93-I122 HydrophobicContact CD2-CG2 3.93Å; L93-F126 HydrophobicContact CB-CE1 4.21Å; L93-F126 HydrophobicContact CB-CE2 4.05Å; L93-F126 HydrophobicContact CB-CZ 3.61Å; L93-F126 HydrophobicContact CD1-CD1 4.11Å; L93-F126 HydrophobicContact CD1-CD2 3.71Å; L93-F126 HydrophobicContact CD1-CE1 3.98Å; L93-F126 HydrophobicContact CD1-CE2 3.61Å; L93-F126 HydrophobicContact CD1-CG 3.97Å; L93-F126 HydrophobicContact CD1-CZ 3.73Å; L93-F126 HydrophobicContact CG-CE2 4.44Å; L93-F126 HydrophobicContact CG-CZ 4.22Å
94	P	98.4	Very high	98.1	Very high	33 Å²	33	38.8 Å²	38.8	21%	0.214	21%	0.207	C	C	.	.			trans	-68	138.4	180	-22.5	38.4	0	0	0	111.1	G92 D96 Q97	G92-P94 WeakPolarHBondContact O-CD 3.28Å; P94-D96 WeakPolarHBondContact CB-OD1 3.28Å; P94-D96 PolarHBondContact O-N 3.03Å; P94-D96 VanDerWaalsContact O-N 3.16Å; P94-Q97 HydrophobicContact CB-CG 4.18Å; P94-Q97 HydrophobicContact CG-CG 4.29Å; P94-Q97 PolarHBondContact O-N 2.91Å
95	P	98.3	Very high	97.7	Very high	52 Å²	52	38.5 Å²	38.5	34%	0.338	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-56.6	-31.3	-179.2	-29.3	35.9	0	0	0	114.6	L84 Q97 V98	L84-P95 HydrophobicContact CB-CB 4.26Å; L84-P95 HydrophobicContact CB-CG 4.33Å; L84-P95 HydrophobicContact CD1-CB 4.21Å; P95-Q97 VanDerWaalsContact C-N 3.27Å; P95-Q97 PolarHBondContact O-N 3.39Å; P95-V98 PolarHBondContact O-N 3.12Å
96	D	97.9	Very high	97.3	Very high	143 Å²	143	36.3 Å²	36.3	77%	0.765	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-76.4	-10.8	178.6	64.4	-25.2	0	0	0	113.9	P94 V98	P94-D96 WeakPolarHBondContact CB-OD1 3.28Å; P94-D96 PolarHBondContact O-N 3.03Å; P94-D96 VanDerWaalsContact O-N 3.16Å; D96-V98 VanDerWaalsContact C-N 3.32Å
97	Q	98.3	Very high	96.9	Very high	92 Å²	92	36 Å²	36	43%	0.43	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-91.4	5.9	171.1	-64.3	-171.8	19.5	0	0	113.1	L93 P94 P95	L93-Q97 HydrophobicContact CD1-CB 4.21Å; P94-Q97 HydrophobicContact CB-CG 4.18Å; P94-Q97 HydrophobicContact CG-CG 4.29Å; P94-Q97 PolarHBondContact O-N 2.91Å; P95-Q97 VanDerWaalsContact C-N 3.27Å; P95-Q97 PolarHBondContact O-N 3.39Å
98	V	98.7	Very high	96.4	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.097	20%	0.204	C	C	.	.			trans	-114.7	114.6	179.7	-169	0	0	0	0	110.4	L37 L84 L93 P95 D96 V100 I122	L37-V98 HydrophobicContact CD1-CG1 4.17Å; L37-V98 HydrophobicContact CD2-CG2 4.44Å; L84-V98 HydrophobicContact CD2-CB 3.81Å; L84-V98 HydrophobicContact CD2-CG1 3.89Å; L84-V98 HydrophobicContact CD2-CG2 3.88Å; L93-V98 HydrophobicContact CD1-CG2 4.02Å; L93-V98 HydrophobicContact CD2-CG2 3.66Å; L93-V98 HydrophobicContact CG-CG2 3.7Å; P95-V98 PolarHBondContact O-N 3.12Å; D96-V98 VanDerWaalsContact C-N 3.32Å; V98-V100 HydrophobicContact CG1-CG2 4.24Å; V98-V100 PolarHBondContact O-N 2.94Å; V98-I122 HydrophobicContact CG1-CG2 4.5Å; V98-I122 HydrophobicContact CG2-CG2 4.09Å
99	E	98.4	Very high	95.9	Very high	83 Å²	83	33.8 Å²	33.8	39%	0.388	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	95.2	165.8	-174.8	-170.4	159.5	0	0	108.9	K9 V101 G120 F121	K9-E99 WeakPolarHBondContact CE-OE2 3.4Å; K9-E99 IonicContact NZ-OE2 3.36Å; K9-E99 PolarHBondContact NZ-OE2 3.48Å; E99-V101 PolarHBondContact O-N 3.35Å; E99-G120 CarbonylContact O-C 3.55Å; E99-G120 VanDerWaalsContact O-CA 3.23Å; E99-G120 WeakPolarHBondContact O-CA 3.36Å; E99-F121 HydrophobicContact CB-CB 4.29Å; E99-F121 PolarHBondContact N-O 3.32Å; E99-F121 PolarHBondContact O-N 3.27Å
100	V	98.5	Very high	95.3	Very high	57 Å²	57	40 Å²	40	35%	0.345	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	125.6	177.4	-179.9	0	0	0	0	110.2	V80 L84 V98 V118	V80-V100 HydrophobicContact CG1-CG1 4.11Å; V80-V100 HydrophobicContact CG1-CG2 3.85Å; V80-V100 HydrophobicContact CG2-CG1 4.41Å; L84-V100 HydrophobicContact CD1-CG2 4.26Å; L84-V100 HydrophobicContact CD2-CG2 4.34Å; V98-V100 HydrophobicContact CG1-CG2 4.24Å; V98-V100 PolarHBondContact O-N 2.94Å; V100-V118 HydrophobicContact CG1-CG1 3.92Å
101	V	98.3	Very high	94.6	Very high	9 Å²	9	46.6 Å²	46.6	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-51.3	-174.2	179.2	0	0	0	0	111.7	V13 L16 K17 E99 V119 F121	V13-V101 HydrophobicContact CB-CG1 4.44Å; V13-V101 HydrophobicContact CG1-CG1 4.2Å; V13-V101 HydrophobicContact CG2-CG1 4.45Å; V13-V101 HydrophobicContact CG2-CG2 3.98Å; L16-V101 HydrophobicContact CB-CG1 3.82Å; L16-V101 HydrophobicContact CD1-CG1 4.45Å; K17-V101 HydrophobicContact CG-CG1 4.06Å; E99-V101 PolarHBondContact O-N 3.35Å; V101-V119 PolarHBondContact N-O 3.41Å; V101-F121 HydrophobicContact CG2-CD2 3.69Å; V101-F121 HydrophobicContact CG2-CE2 4.31Å
102	C	97.1	Very high	94	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.02	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	160.7	-179.1	61.6	0	0	0	0	111.5	D20 V119	D20-C102 HydrophobicContact CB-CB 3.6Å; C102-V119 PolarHBondContact N-O 2.58Å; C102-V119 PolarHBondContact O-N 2.96Å
103	T	96.5	Very high	93.6	Very high	20 Å²	20	47.9 Å²	47.9	12%	0.123	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.4	162.2	-58.3	0	0	0	0	107.6	D20 I21 V118	D20-T103 PolarHBondContact OD1-N 2.97Å; D20-T103 VanDerWaalsContact OD1-O 3.12Å; I21-T103 HydrophobicContact CD1-CG2 4.24Å; I21-T103 HydrophobicContact CG1-CG2 4.22Å; I21-T103 WeakPolarHBondContact CG1-O 3.3Å; I21-T103 PolarHBondContact N-O 2.92Å; T103-V118 HydrophobicContact CG2-CG2 4.41Å
104	L	94.4	Very high	93.2	Very high	4 Å²	4	48 Å²	48	2%	0.021	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-86.4	171.6	177.5	-61.8	179.6	0	0	0	110.9	F19 I21 P117 V119 L191 V192	F19-L104 HydrophobicContact CB-CD2 3.99Å; I21-L104 WeakPolarHBondContact CD1-O 3.42Å; L104-P117 HydrophobicContact CB-CB 4.21Å; L104-P117 HydrophobicContact CB-CG 4.22Å; L104-P117 PolarHBondContact N-O 3.43Å; L104-V119 HydrophobicContact CD1-CG2 3.72Å; L104-V119 HydrophobicContact CG-CG2 3.95Å; L104-L191 HydrophobicContact CD1-CD2 4.29Å; L104-V192 HydrophobicContact CD1-CG2 3.75Å
105	F	89.8	Confident	93	Very high	14 Å²	14	46.9 Å²	46.9	6%	0.061	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-57.9	135.2	179.5	-177.6	-82.3	0	0	0	112.4	I21 F25 V107 P117 L213 F216 K217 L220	I21-F105 HydrophobicContact CG2-CB 4.21Å; F25-F105 HydrophobicContact CD1-CE2 4.11Å; F25-F105 HydrophobicContact CD2-CD2 4.25Å; F25-F105 AromaticContact CE1-CD2 3.89Å; F25-F105 HydrophobicContact CE1-CD2 3.89Å; F25-F105 AromaticContact CE1-CE2 3.27Å; F25-F105 HydrophobicContact CE1-CE2 3.27Å; F25-F105 HydrophobicContact CE1-CZ 4.08Å; F25-F105 AromaticContact CE2-CD2 3.45Å; F25-F105 HydrophobicContact CE2-CD2 3.45Å; F25-F105 VanDerWaalsContact CE2-CD2 3.45Å; F25-F105 AromaticContact CE2-CE2 3.77Å; F25-F105 HydrophobicContact CE2-CE2 3.77Å; F25-F105 AromaticContact CZ-CD2 3.26Å; F25-F105 HydrophobicContact CZ-CD2 3.26Å; F25-F105 AromaticContact CZ-CE2 3.07Å; F25-F105 HydrophobicContact CZ-CE2 3.07Å; F25-F105 HydrophobicContact CZ-CZ 4.25Å; F105-V107 HydrophobicContact CD1-CG1 4.27Å; F105-P117 WeakPolarHBondContact O-CD 3.39Å; F105-L213 HydrophobicContact CB-CD1 3.97Å; F105-L213 HydrophobicContact CD2-CD1 3.67Å; F105-L213 HydrophobicContact CG-CD1 4.19Å; F105-F216 HydrophobicContact CD1-CB 3.32Å; F105-F216 HydrophobicContact CD1-CG 4.14Å; F105-F216 HydrophobicContact CD2-CB 4.49Å; F105-F216 VanDerWaalsContact CE1-C 3.48Å; F105-F216 HydrophobicContact CE1-CB 3.44Å; F105-F216 VanDerWaalsContact CE1-CB 3.44Å; F105-F216 VanDerWaalsContact CE1-O 3.28Å; F105-F216 WeakPolarHBondContact CE1-O 3.24Å; F105-F216 HydrophobicContact CG-CB 3.89Å; F105-F216 VanDerWaalsContact CZ-C 3.42Å; F105-F216 HydrophobicContact CZ-CB 4.08Å; F105-F216 VanDerWaalsContact CZ-O 3.28Å; F105-F216 WeakPolarHBondContact CZ-O 3.39Å; F105-K217 HydrophobicContact CD2-CG 4.37Å; F105-K217 HydrophobicContact CE2-CB 4.37Å; F105-K217 HydrophobicContact CE2-CG 3.55Å; F105-K217 HydrophobicContact CZ-CG 4.16Å; F105-L220 HydrophobicContact CE1-CB 3.92Å; F105-L220 HydrophobicContact CE1-CD2 4.2Å; F105-L220 HydrophobicContact CE1-CG 4.46Å; F105-L220 HydrophobicContact CE2-CD2 4.11Å; F105-L220 HydrophobicContact CZ-CB 3.54Å; F105-L220 HydrophobicContact CZ-CD2 3.44Å; F105-L220 VanDerWaalsContact CZ-CD2 3.44Å; F105-L220 HydrophobicContact CZ-CG 4.01Å
106	P	91	Very high	92.9	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.013	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-75.7	141.9	-176.2	32.4	-37.9	0	0	0	112.2	F25 L28 L114 V115	F25-P106 HydrophobicContact CB-CG 3.99Å; F25-P106 HydrophobicContact CD1-CG 4.46Å; F25-P106 HydrophobicContact CD2-CG 4.42Å; F25-P106 HydrophobicContact CG-CG 4.01Å; L28-P106 HydrophobicContact CD1-CG 4.21Å; P106-L114 HydrophobicContact CB-CD1 3.79Å; P106-L114 HydrophobicContact CB-CD2 4.37Å; P106-L114 HydrophobicContact CB-CG 3.91Å; P106-L114 HydrophobicContact CG-CD1 4.23Å; P106-V115 CarbonylContact C-O 3.59Å; P106-V115 VanDerWaalsContact CA-O 3.23Å; P106-V115 WeakPolarHBondContact CA-O 3.29Å
107	V	89.5	Confident	92.9	Very high	13 Å²	13	37.7 Å²	37.7	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.6	-172.6	-72	0	0	0	0	111	F105 S109 V115 P117 L184 M187 L188 F216	F105-V107 HydrophobicContact CD1-CG1 4.27Å; V107-S109 PolarHBondContact O-N 3.4Å; V107-V115 HydrophobicContact CG2-CB 4.42Å; V107-V115 PolarHBondContact N-O 2.82Å; V107-V115 WeakPolarHBondContact O-CB 3.29Å; V107-V115 PolarHBondContact O-N 3.21Å; V107-P117 HydrophobicContact CG2-CG 4.45Å; V107-L184 HydrophobicContact CB-CD1 4.21Å; V107-L184 HydrophobicContact CG2-CD1 3.4Å; V107-L184 VanDerWaalsContact CG2-CD1 3.4Å; V107-M187 HydrophobicContact CB-CE 4.03Å; V107-M187 HydrophobicContact CG1-CE 3.76Å; V107-M187 HydrophobicContact CG2-CE 3.97Å; V107-L188 HydrophobicContact CG2-CD2 4.13Å; V107-F216 HydrophobicContact CG1-CD1 3.81Å; V107-F216 HydrophobicContact CG1-CE1 4.14Å
108	F	88.3	Confident	92.9	Very high	36 Å²	36	33.3 Å²	33.3	16%	0.158	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.8	177.7	-80.5	-72.6	0	0	0	111	L31 L113 L114 L220 R223 L224 L227	L31-F108 HydrophobicContact CD1-CE1 3.83Å; L31-F108 HydrophobicContact CD1-CZ 3.64Å; F108-L113 WeakPolarHBondContact CA-O 3.03Å; F108-L114 HydrophobicContact CE1-CB 4.45Å; F108-L114 HydrophobicContact CE1-CD1 4.33Å; F108-L114 HydrophobicContact CE2-CD1 4.4Å; F108-L114 HydrophobicContact CZ-CD1 4.27Å; F108-L220 HydrophobicContact CD2-CD1 3.96Å; F108-L220 HydrophobicContact CE2-CD1 3.51Å; F108-L220 HydrophobicContact CZ-CD1 4.33Å; F108-R223 HydrophobicContact CD2-CB 3.53Å; F108-R223 HydrophobicContact CD2-CG 3.76Å; F108-R223 HydrophobicContact CE2-CB 3.46Å; F108-R223 VanDerWaalsContact CE2-CB 3.46Å; F108-R223 HydrophobicContact CE2-CG 4.23Å; F108-R223 HydrophobicContact CG-CB 4.47Å; F108-R223 HydrophobicContact CG-CG 4.45Å; F108-R223 HydrophobicContact CZ-CB 4.38Å; F108-L224 HydrophobicContact CE2-CD2 4.43Å; F108-L224 HydrophobicContact CE2-CG 4.41Å; F108-L224 HydrophobicContact CZ-CD2 4.05Å; F108-L227 HydrophobicContact CZ-CD1 4.33Å
109	S	88.9	Confident	92.9	Very high	16 Å²	16	32.6 Å²	32.6	11%	0.112	16%	0.163	C	C	.	.			trans	-68.9	162.4	165.5	70.5	0	0	0	0	111.1	V107 R111 G112 L113	V107-S109 PolarHBondContact O-N 3.4Å; S109-R111 PolarHBondContact O-N 3.08Å; S109-R111 PolarHBondContact OG-N 3.48Å; S109-G112 PolarHBondContact O-N 3.5Å; S109-L113 PolarHBondContact N-O 2.89Å; S109-L113 WeakPolarHBondContact OG-CB 3.36Å; S109-L113 PolarHBondContact OG-N 2.93Å; S109-L113 PolarHBondContact OG-O 2.69Å
110	K	84.4	Confident	92.9	Very high	216 Å²	216	28.6 Å²	28.6	94%	0.939	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-25	171.9	-177.2	179.7	176.3	-175.3	0	113.1
111	R	83.9	Confident	92.9	Very high	139 Å²	139	26.1 Å²	26.1	53%	0.525	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	6.3	-178.9	-65.5	179.5	-74.4	175.9	-7.1	113.5	T60 S109 L113	T60-R111 PolarHBondContact OG1-NH1 2.85Å; S109-R111 PolarHBondContact O-N 3.08Å; S109-R111 PolarHBondContact OG-N 3.48Å; R111-L113 VanDerWaalsContact C-N 3.29Å; R111-L113 PolarHBondContact O-N 3.09Å
112	G	85.9	Confident	92.9	Very high	38 Å²	38	26 Å²	26	39%	0.392	13%	0.128	S	C	.	.	S	Bend	trans	79.4	4.6	179.1	0	0	0	0	0	115	S109	S109-G112 PolarHBondContact O-N 3.5Å
113	L	89.5	Confident	92.9	Very high	18 Å²	18	31.6 Å²	31.6	9%	0.094	15%	0.154	C	C	.	.			trans	-70.3	136.5	170.4	-50.7	179.8	0	0	0	109.9	P32 A34 K71 F108 S109 R111 V115	P32-L113 HydrophobicContact CB-CD2 3.45Å; P32-L113 VanDerWaalsContact CB-CD2 3.45Å; P32-L113 CarbonylContact O-C 3.6Å; P32-L113 VanDerWaalsContact O-CA 3.28Å; P32-L113 WeakPolarHBondContact O-CA 3.31Å; A34-L113 HydrophobicContact CB-CB 4.32Å; A34-L113 HydrophobicContact CB-CD1 4.1Å; K71-L113 HydrophobicContact CG-CD1 4.08Å; F108-L113 WeakPolarHBondContact CA-O 3.03Å; S109-L113 PolarHBondContact N-O 2.89Å; S109-L113 WeakPolarHBondContact OG-CB 3.36Å; S109-L113 PolarHBondContact OG-N 2.93Å; S109-L113 PolarHBondContact OG-O 2.69Å; R111-L113 VanDerWaalsContact C-N 3.29Å; R111-L113 PolarHBondContact O-N 3.09Å; L113-V115 HydrophobicContact CB-CG2 4.38Å; L113-V115 PolarHBondContact O-N 2.75Å
114	L	91.8	Very high	92.9	Very high	5 Å²	5	35 Å²	35	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.5	168.7	-174	69.5	0	0	0	108.2	L28 L31 P32 K33 A34 P106 F108 L220	L28-L114 HydrophobicContact CB-CD2 4.19Å; L28-L114 HydrophobicContact CD1-CD1 4.36Å; L28-L114 HydrophobicContact CD1-CD2 3.6Å; L31-L114 HydrophobicContact CB-CB 4.38Å; L31-L114 HydrophobicContact CD1-CD2 4.46Å; P32-L114 PolarHBondContact O-N 2.72Å; K33-L114 WeakPolarHBondContact CA-O 3.43Å; A34-L114 PolarHBondContact N-O 3.35Å; P106-L114 HydrophobicContact CB-CD1 3.79Å; P106-L114 HydrophobicContact CB-CD2 4.37Å; P106-L114 HydrophobicContact CB-CG 3.91Å; P106-L114 HydrophobicContact CG-CD1 4.23Å; F108-L114 HydrophobicContact CE1-CB 4.45Å; F108-L114 HydrophobicContact CE1-CD1 4.33Å; F108-L114 HydrophobicContact CE2-CD1 4.4Å; F108-L114 HydrophobicContact CZ-CD1 4.27Å; L114-L220 HydrophobicContact CD1-CD1 3.81Å
115	V	94.1	Very high	93	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.048	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.4	-173.6	-174.8	0	0	0	0	110.1	A34 V36 P106 V107 L113 P117 L184	A34-V115 HydrophobicContact CB-CG2 4.27Å; A34-V115 CarbonylContact O-C 3.52Å; A34-V115 VanDerWaalsContact O-CA 3.26Å; A34-V115 WeakPolarHBondContact O-CA 3.36Å; V36-V115 HydrophobicContact CG1-CG1 3.94Å; V36-V115 HydrophobicContact CG2-CG1 4.04Å; P106-V115 CarbonylContact C-O 3.59Å; P106-V115 VanDerWaalsContact CA-O 3.23Å; P106-V115 WeakPolarHBondContact CA-O 3.29Å; V107-V115 HydrophobicContact CG2-CB 4.42Å; V107-V115 PolarHBondContact N-O 2.82Å; V107-V115 WeakPolarHBondContact O-CB 3.29Å; V107-V115 PolarHBondContact O-N 3.21Å; L113-V115 HydrophobicContact CB-CG2 4.38Å; L113-V115 PolarHBondContact O-N 2.75Å; V115-P117 WeakPolarHBondContact O-CD 3.19Å; V115-L184 HydrophobicContact CB-CD2 4.26Å; V115-L184 HydrophobicContact CG1-CD2 4.42Å; V115-L184 HydrophobicContact CG2-CD2 3.94Å
116	S	95.2	Very high	93.4	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.2	173.7	-66.5	0	0	0	0	110.3	A34 S35 V36 D79	A34-S116 PolarHBondContact O-N 2.85Å; S35-S116 VanDerWaalsContact CA-O 3.28Å; S35-S116 WeakPolarHBondContact CA-O 3.31Å; V36-S116 PolarHBondContact N-O 2.82Å; D79-S116 WeakPolarHBondContact OD2-CB 3.33Å; D79-S116 PolarHBondContact OD2-OG 3.33Å
117	P	97.5	Very high	93.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.8	176.4	-4.4	23.5	0	0	0	110.3	V36 I38 L104 F105 V107 V115 L188	V36-P117 HydrophobicContact CG2-CB 4.18Å; I38-P117 HydrophobicContact CD1-CB 3.98Å; L104-P117 HydrophobicContact CB-CB 4.21Å; L104-P117 HydrophobicContact CB-CG 4.22Å; L104-P117 PolarHBondContact N-O 3.43Å; F105-P117 WeakPolarHBondContact O-CD 3.39Å; V107-P117 HydrophobicContact CG2-CG 4.45Å; V115-P117 WeakPolarHBondContact O-CD 3.19Å; P117-L188 HydrophobicContact CB-CD1 4.23Å; P117-L188 HydrophobicContact CB-CD2 3.98Å; P117-L188 HydrophobicContact CG-CD1 4.2Å; P117-L188 HydrophobicContact CG-CD2 3.53Å
118	V	98.5	Very high	94.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.4	177.6	179.8	0	0	0	0	107.8	V36 L37 I38 V80 A83 V100 T103	V36-V118 PolarHBondContact O-N 3.05Å; L37-V118 CarbonylContact C-O 3.57Å; L37-V118 WeakPolarHBondContact CA-O 3.31Å; L37-V118 HydrophobicContact CD1-CG1 4.33Å; I38-V118 PolarHBondContact N-O 3.02Å; V80-V118 HydrophobicContact CG1-CG1 4.34Å; V80-V118 HydrophobicContact CG2-CG1 4.17Å; V80-V118 HydrophobicContact CG2-CG2 4.2Å; A83-V118 HydrophobicContact CB-CB 3.92Å; A83-V118 HydrophobicContact CB-CG1 4.48Å; A83-V118 HydrophobicContact CB-CG2 3.82Å; V100-V118 HydrophobicContact CG1-CG1 3.92Å; T103-V118 HydrophobicContact CG2-CG2 4.41Å
119	V	98.8	Very high	94.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.5	177.6	-171.9	0	0	0	0	108.9	L16 I38 L40 V101 C102 L104 V192	L16-V119 HydrophobicContact CD1-CG1 3.87Å; I38-V119 HydrophobicContact CB-CG2 4.29Å; I38-V119 HydrophobicContact CD1-CG2 4.37Å; L40-V119 HydrophobicContact CD1-CG1 3.67Å; L40-V119 HydrophobicContact CG-CG1 3.97Å; V101-V119 PolarHBondContact N-O 3.41Å; C102-V119 PolarHBondContact N-O 2.58Å; C102-V119 PolarHBondContact O-N 2.96Å; L104-V119 HydrophobicContact CD1-CG2 3.72Å; L104-V119 HydrophobicContact CG-CG2 3.95Å; V119-V192 HydrophobicContact CG2-CG2 4.14Å
120	G	98.6	Very high	95	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.6	178.5	0	0	0	0	0	111.7	I38 P39 L40 E99	I38-G120 PolarHBondContact O-N 2.94Å; P39-G120 CarbonylContact C-O 3.5Å; P39-G120 WeakPolarHBondContact CA-O 3.29Å; L40-G120 PolarHBondContact N-O 2.83Å; E99-G120 CarbonylContact O-C 3.55Å; E99-G120 VanDerWaalsContact O-CA 3.23Å; E99-G120 WeakPolarHBondContact O-CA 3.36Å
121	F	98.6	Very high	95.7	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.1	170.2	-91.6	-86.5	0	0	0	110.9	K9 T12 V13 L40 V42 L47 E99 V101	K9-F121 HydrophobicContact CB-CE1 4.27Å; K9-F121 HydrophobicContact CD-CD1 4.05Å; K9-F121 HydrophobicContact CD-CE1 4.48Å; K9-F121 HydrophobicContact CD-CG 4.24Å; K9-F121 HydrophobicContact CG-CD1 3.86Å; K9-F121 HydrophobicContact CG-CD2 4.27Å; K9-F121 HydrophobicContact CG-CE1 3.85Å; K9-F121 HydrophobicContact CG-CE2 4.28Å; K9-F121 HydrophobicContact CG-CG 4.08Å; K9-F121 HydrophobicContact CG-CZ 4.07Å; T12-F121 HydrophobicContact CG2-CE2 3.96Å; T12-F121 HydrophobicContact CG2-CZ 3.76Å; V13-F121 HydrophobicContact CG2-CD2 3.65Å; V13-F121 HydrophobicContact CG2-CE2 3.62Å; L40-F121 HydrophobicContact CB-CD1 4.04Å; L40-F121 HydrophobicContact CB-CD2 4.49Å; L40-F121 HydrophobicContact CB-CE1 3.87Å; L40-F121 HydrophobicContact CB-CE2 4.33Å; L40-F121 HydrophobicContact CB-CG 4.35Å; L40-F121 HydrophobicContact CB-CZ 4.02Å; L40-F121 HydrophobicContact CD1-CE2 4.27Å; L40-F121 HydrophobicContact CD1-CZ 4.25Å; L40-F121 CarbonylContact O-C 3.52Å; L40-F121 VanDerWaalsContact O-CA 3.28Å; L40-F121 WeakPolarHBondContact O-CA 3.41Å; L40-F121 WeakPolarHBondContact O-CD1 3.43Å; V42-F121 HydrophobicContact CG2-CE1 4.43Å; L47-F121 HydrophobicContact CD2-CE1 3.81Å; L47-F121 HydrophobicContact CD2-CZ 3.82Å; E99-F121 HydrophobicContact CB-CB 4.29Å; E99-F121 PolarHBondContact N-O 3.32Å; E99-F121 PolarHBondContact O-N 3.27Å; V101-F121 HydrophobicContact CG2-CD2 3.69Å; V101-F121 HydrophobicContact CG2-CE2 4.31Å
122	I	98.6	Very high	96.2	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.041	25%	0.254	C	S	.	.			trans	-119.1	160	169.9	66.2	174.7	0	0	0	109.5	P39 L40 F41 L50 L93 V98 F126	P39-I122 HydrophobicContact CB-CD1 4.04Å; P39-I122 HydrophobicContact CB-CG1 4.45Å; P39-I122 HydrophobicContact CB-CG2 4.27Å; L40-I122 PolarHBondContact O-N 3.3Å; F41-I122 HydrophobicContact CB-CG1 3.91Å; F41-I122 WeakPolarHBondContact CB-O 3.32Å; F41-I122 HydrophobicContact CD1-CD1 4.21Å; F41-I122 HydrophobicContact CD1-CG1 4.21Å; F41-I122 HydrophobicContact CG-CG1 4.41Å; L50-I122 HydrophobicContact CD1-CD1 3.73Å; L50-I122 HydrophobicContact CG-CD1 4.4Å; L93-I122 HydrophobicContact CD1-CG2 3.96Å; L93-I122 HydrophobicContact CD2-CG2 3.93Å; V98-I122 HydrophobicContact CG1-CG2 4.5Å; V98-I122 HydrophobicContact CG2-CG2 4.09Å; I122-F126 HydrophobicContact CD1-CB 4.33Å; I122-F126 HydrophobicContact CD1-CD1 3.78Å; I122-F126 HydrophobicContact CD1-CG 4.37Å
123	E	97.5	Very high	96.7	Very high	120 Å²	120	44.2 Å²	44.2	56%	0.561	26%	0.257	S	S	*	.			trans	-73.8	144.6	173.3	-67	-57.6	140.7	0	0	111.2	T125 F126	E123-T125 PolarHBondContact O-N 3.47Å; E123-T125 VanDerWaalsContact O-N 3.11Å; E123-F126 WeakPolarHBondContact O-CB 3.35Å; E123-F126 PolarHBondContact O-N 3.39Å
124	E	96.6	Very high	97	Very high	90 Å²	90	45.7 Å²	45.7	42%	0.421	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.9	177.4	177.7	176.2	-161.8	0	0	112.4	F41 R43 F126	F41-E124 HydrophobicContact CD2-CB 4.43Å; F41-E124 HydrophobicContact CD2-CG 4.45Å; R43-E124 HydrophobicContact CB-CG 4.35Å; R43-E124 VanDerWaalsContact CB-OE1 3.24Å; R43-E124 WeakPolarHBondContact CB-OE1 3.36Å; R43-E124 WeakPolarHBondContact CG-OE1 3.49Å; R43-E124 IonicContact NE-OE1 2.72Å; R43-E124 PolarHBondContact NE-OE1 2.91Å; R43-E124 VanDerWaalsContact NE-OE1 3.13Å; E124-F126 PolarHBondContact O-N 3.25Å
125	T	96.7	Very high	97.3	Very high	123 Å²	123	45.6 Å²	45.6	76%	0.755	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.7	-179.6	54	0	0	0	0	113.7	E123 T127	E123-T125 PolarHBondContact O-N 3.47Å; E123-T125 VanDerWaalsContact O-N 3.11Å; T125-T127 PolarHBondContact O-N 3.46Å
126	F	98	Very high	97.5	Very high	24 Å²	24	48.6 Å²	48.6	11%	0.105	28%	0.284	C	S	.	.			trans	-60.5	125.3	176	173.1	-106.5	0	0	0	110.2	L50 I91 L93 I122 E123 E124 P128	L50-F126 HydrophobicContact CD1-CD1 4.07Å; L50-F126 HydrophobicContact CD1-CE1 4.04Å; I91-F126 HydrophobicContact CD1-CE1 4.13Å; I91-F126 HydrophobicContact CD1-CZ 4.45Å; L93-F126 HydrophobicContact CB-CE1 4.21Å; L93-F126 HydrophobicContact CB-CE2 4.05Å; L93-F126 HydrophobicContact CB-CZ 3.61Å; L93-F126 HydrophobicContact CD1-CD1 4.11Å; L93-F126 HydrophobicContact CD1-CD2 3.71Å; L93-F126 HydrophobicContact CD1-CE1 3.98Å; L93-F126 HydrophobicContact CD1-CE2 3.61Å; L93-F126 HydrophobicContact CD1-CG 3.97Å; L93-F126 HydrophobicContact CD1-CZ 3.73Å; L93-F126 HydrophobicContact CG-CE2 4.44Å; L93-F126 HydrophobicContact CG-CZ 4.22Å; I122-F126 HydrophobicContact CD1-CB 4.33Å; I122-F126 HydrophobicContact CD1-CD1 3.78Å; I122-F126 HydrophobicContact CD1-CG 4.37Å; E123-F126 WeakPolarHBondContact O-CB 3.35Å; E123-F126 PolarHBondContact O-N 3.39Å; E124-F126 PolarHBondContact O-N 3.25Å; F126-P128 HydrophobicContact CD1-CG 4.23Å; F126-P128 HydrophobicContact CE1-CB 4.1Å; F126-P128 HydrophobicContact CE1-CG 3.77Å; F126-P128 HydrophobicContact CZ-CB 4.45Å
127	T	97.4	Very high	97.6	Very high	111 Å²	111	49.4 Å²	49.4	68%	0.681	29%	0.292	S	S	*	.			trans	-110.1	111.8	176.6	-57.9	0	0	0	0	108.7	T125	T125-T127 PolarHBondContact O-N 3.46Å
128	P	97.8	Very high	97.6	Very high	36 Å²	36	51.1 Å²	51.1	23%	0.234	30%	0.302	C	S	.	.			trans	-59.3	139.3	179.5	-22.8	32	0	0	0	112.1	L50 I91 F126 P130 V138	L50-P128 HydrophobicContact CD1-CG 3.98Å; I91-P128 HydrophobicContact CB-CB 4.41Å; F126-P128 HydrophobicContact CD1-CG 4.23Å; F126-P128 HydrophobicContact CE1-CB 4.1Å; F126-P128 HydrophobicContact CE1-CG 3.77Å; F126-P128 HydrophobicContact CZ-CB 4.45Å; P128-P130 WeakPolarHBondContact O-CD 3.39Å; P128-V138 HydrophobicContact CB-CB 4.02Å; P128-V138 HydrophobicContact CB-CG1 3.79Å; P128-V138 HydrophobicContact CB-CG2 4.18Å; P128-V138 HydrophobicContact CG-CB 4.33Å; P128-V138 HydrophobicContact CG-CG1 3.69Å
129	T	98.3	Very high	97.6	Very high	101 Å²	101	51.4 Å²	51.4	62%	0.62	30%	0.303	S	S	*	.			trans	-116.2	88.7	170.4	-56.2	0	0	0	0	107.9	I91 G92 N131	I91-T129 CarbonylContact C-O 3.58Å; I91-T129 PolarHBondContact O-N 3.47Å; G92-T129 PolarHBondContact N-O 3.31Å; T129-N131 PolarHBondContact O-N 2.97Å
130	P	97.7	Very high	97.6	Very high	53 Å²	53	52.3 Å²	52.3	34%	0.344	31%	0.311	S	S	.	.			trans	-66.7	134.4	-173.1	-15.6	29.4	0	0	0	111.2	E90 P128 P132 V135 V138	E90-P130 WeakPolarHBondContact O-CA 3.16Å; P128-P130 WeakPolarHBondContact O-CD 3.39Å; P130-P132 VanDerWaalsContact O-CD 3.31Å; P130-P132 WeakPolarHBondContact O-CD 3.45Å; P130-V135 HydrophobicContact CB-CB 4.13Å; P130-V135 HydrophobicContact CB-CG1 3.93Å; P130-V138 HydrophobicContact CB-CG2 4.03Å; P130-V138 HydrophobicContact CG-CB 4.42Å; P130-V138 HydrophobicContact CG-CG2 3.69Å
131	N	98	Very high	97.6	Very high	52 Å²	52	52.3 Å²	52.3	28%	0.278	31%	0.311	S	S	.	.			trans	-76.8	111.9	168.3	178.6	3.2	0	0	0	109.7	E89 E90 T129 S133 E134 V135	E89-N131 VanDerWaalsContact O-CB 3.23Å; E89-N131 WeakPolarHBondContact O-CB 3.48Å; E90-N131 PolarHBondContact O-N 3.37Å; T129-N131 PolarHBondContact O-N 2.97Å; N131-S133 VanDerWaalsContact CG-OG 3.31Å; N131-S133 PolarHBondContact ND2-OG 3.43Å; N131-S133 VanDerWaalsContact ND2-OG 3.16Å; N131-S133 PolarHBondContact O-N 2.91Å; N131-S133 VanDerWaalsContact O-N 3.12Å; N131-S133 PolarHBondContact OD1-N 2.71Å; N131-S133 PolarHBondContact OD1-OG 2.89Å; N131-E134 PolarHBondContact O-N 3.45Å; N131-V135 PolarHBondContact O-N 2.96Å
132	P	96.1	Very high	97.6	Very high	106 Å²	106	53.9 Å²	53.9	69%	0.688	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-18.9	-172.2	27.6	-36.1	0	0	0	114.1	P130 E134	P130-P132 VanDerWaalsContact O-CD 3.31Å; P130-P132 WeakPolarHBondContact O-CD 3.45Å; P132-E134 PolarHBondContact O-N 3.35Å
133	S	95.6	Very high	97.6	Very high	67 Å²	67	53.6 Å²	53.6	47%	0.469	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.4	173.9	58.2	0	0	0	0	112.4	N131	N131-S133 VanDerWaalsContact CG-OG 3.31Å; N131-S133 PolarHBondContact ND2-OG 3.43Å; N131-S133 VanDerWaalsContact ND2-OG 3.16Å; N131-S133 PolarHBondContact O-N 2.91Å; N131-S133 VanDerWaalsContact O-N 3.12Å; N131-S133 PolarHBondContact OD1-N 2.71Å; N131-S133 PolarHBondContact OD1-OG 2.89Å
134	E	95.7	Very high	97.6	Very high	49 Å²	49	49.6 Å²	49.6	23%	0.229	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-32	-171.1	-59.9	-163.7	-138.3	0	0	113.4	R54 S55 L58 N131 P132	R54-E134 WeakPolarHBondContact CA-O 3.48Å; S55-E134 WeakPolarHBondContact CB-O 3.4Å; S55-E134 PolarHBondContact N-O 2.88Å; L58-E134 WeakPolarHBondContact CD1-O 3.22Å; N131-E134 PolarHBondContact O-N 3.45Å; P132-E134 PolarHBondContact O-N 3.35Å
135	V	98	Very high	97.6	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.6	-173.7	-179.4	0	0	0	0	110.4	T52 E90 P130 N131 A137 V138	T52-V135 HydrophobicContact CG2-CG1 4.27Å; T52-V135 HydrophobicContact CG2-CG2 4.33Å; E90-V135 HydrophobicContact CB-CG2 3.79Å; E90-V135 HydrophobicContact CG-CG2 4.16Å; P130-V135 HydrophobicContact CB-CB 4.13Å; P130-V135 HydrophobicContact CB-CG1 3.93Å; N131-V135 PolarHBondContact O-N 2.96Å; V135-A137 WeakPolarHBondContact CG1-O 3.3Å; V135-V138 HydrophobicContact CG1-CG2 3.74Å
136	S	97.6	Very high	97.7	Very high	70 Å²	70	40.4 Å²	40.4	49%	0.49	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-27.4	174.5	-69.4	0	0	0	0	113.5	L53 S55	L53-S136 PolarHBondContact O-N 3.15Å; S55-S136 WeakPolarHBondContact CA-OG 3.49Å
137	A	97.9	Very high	97.6	Very high	21 Å²	21	39.2 Å²	39.2	17%	0.174	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	151.7	177.7	0	0	0	0	0	111.2	T52 L53 V135 Y179	T52-A137 CarbonylContact C-O 3.51Å; T52-A137 WeakPolarHBondContact CA-O 3.35Å; L53-A137 HydrophobicContact CB-CB 4Å; L53-A137 HydrophobicContact CD2-CB 4.46Å; L53-A137 PolarHBondContact N-O 2.99Å; V135-A137 WeakPolarHBondContact CG1-O 3.3Å; A137-Y179 HydrophobicContact CB-CE1 4.3Å
138	V	98.4	Very high	97.5	Very high	35 Å²	35	39.1 Å²	39.1	21%	0.212	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.7	167.8	-176.6	0	0	0	0	107.5	L50 L51 T52 I91 P128 P130 V135	L50-V138 HydrophobicContact CB-CG1 4.38Å; L50-V138 HydrophobicContact CD2-CG1 4.4Å; L51-V138 WeakPolarHBondContact O-CA 3.13Å; T52-V138 HydrophobicContact CG2-CG2 4.27Å; I91-V138 HydrophobicContact CB-CG2 4.37Å; I91-V138 HydrophobicContact CG2-CG2 3.55Å; P128-V138 HydrophobicContact CB-CB 4.02Å; P128-V138 HydrophobicContact CB-CG1 3.79Å; P128-V138 HydrophobicContact CB-CG2 4.18Å; P128-V138 HydrophobicContact CG-CB 4.33Å; P128-V138 HydrophobicContact CG-CG1 3.69Å; P130-V138 HydrophobicContact CB-CG2 4.03Å; P130-V138 HydrophobicContact CG-CB 4.42Å; P130-V138 HydrophobicContact CG-CG2 3.69Å; V135-V138 HydrophobicContact CG1-CG2 3.74Å
139	F	98.5	Very high	97.3	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	152.4	-177.9	59.8	-83.1	0	0	0	111.4	L50 L51 V65 V141 F170 Y179 I181	L50-F139 WeakPolarHBondContact CA-O 3.33Å; L51-F139 HydrophobicContact CB-CE1 4.13Å; L51-F139 HydrophobicContact CB-CE2 3.99Å; L51-F139 HydrophobicContact CB-CZ 3.78Å; L51-F139 HydrophobicContact CD1-CE2 4.1Å; L51-F139 HydrophobicContact CD1-CZ 4.24Å; L51-F139 PolarHBondContact N-O 2.69Å; L51-F139 PolarHBondContact O-N 3.49Å; V65-F139 HydrophobicContact CG1-CE1 4.23Å; V65-F139 HydrophobicContact CG1-CZ 3.65Å; V65-F139 HydrophobicContact CG2-CE1 4.34Å; V65-F139 HydrophobicContact CG2-CZ 4.05Å; F139-V141 HydrophobicContact CD2-CG2 3.66Å; F139-V141 HydrophobicContact CE2-CG2 3.59Å; F139-F170 AromaticContact CD2-CD1 3.84Å; F139-F170 HydrophobicContact CD2-CD1 3.84Å; F139-F170 AromaticContact CD2-CE1 3.9Å; F139-F170 HydrophobicContact CD2-CE1 3.9Å; F139-F170 AromaticContact CE2-CD1 3.9Å; F139-F170 HydrophobicContact CE2-CD1 3.9Å; F139-F170 HydrophobicContact CE2-CE1 4.41Å; F139-Y179 HydrophobicContact CB-CE2 4.34Å; F139-Y179 HydrophobicContact CD1-CD1 4.01Å; F139-Y179 HydrophobicContact CD1-CD2 4.11Å; F139-Y179 AromaticContact CD1-CE1 3.8Å; F139-Y179 HydrophobicContact CD1-CE1 3.8Å; F139-Y179 AromaticContact CD1-CE2 3.92Å; F139-Y179 HydrophobicContact CD1-CE2 3.92Å; F139-Y179 HydrophobicContact CD1-CG 4.16Å; F139-Y179 AromaticContact CD1-CZ 3.76Å; F139-Y179 HydrophobicContact CD2-CD2 4.02Å; F139-Y179 HydrophobicContact CD2-CE2 4.31Å; F139-Y179 HydrophobicContact CD2-CG 4.4Å; F139-Y179 AromaticContact CE1-CD1 3.45Å; F139-Y179 HydrophobicContact CE1-CD1 3.45Å; F139-Y179 VanDerWaalsContact CE1-CD1 3.45Å; F139-Y179 HydrophobicContact CE1-CD2 4.07Å; F139-Y179 AromaticContact CE1-CE1 3.68Å; F139-Y179 HydrophobicContact CE1-CE1 3.68Å; F139-Y179 HydrophobicContact CE1-CE2 4.27Å; F139-Y179 AromaticContact CE1-CG 3.66Å; F139-Y179 HydrophobicContact CE1-CG 3.66Å; F139-Y179 AromaticContact CE2-CD2 3.95Å; F139-Y179 HydrophobicContact CE2-CD2 3.95Å; F139-Y179 AromaticContact CE2-CG 3.91Å; F139-Y179 HydrophobicContact CE2-CG 3.91Å; F139-Y179 HydrophobicContact CG-CD2 4.09Å; F139-Y179 AromaticContact CG-CE2 3.94Å; F139-Y179 HydrophobicContact CG-CE2 3.94Å; F139-Y179 HydrophobicContact CG-CG 4.5Å; F139-Y179 AromaticContact CZ-CD1 3.75Å; F139-Y179 HydrophobicContact CZ-CD1 3.75Å; F139-Y179 AromaticContact CZ-CD2 3.96Å; F139-Y179 HydrophobicContact CZ-CD2 3.96Å; F139-Y179 HydrophobicContact CZ-CE1 4.39Å; F139-Y179 AromaticContact CZ-CG 3.5Å; F139-Y179 HydrophobicContact CZ-CG 3.5Å; F139-I181 HydrophobicContact CE2-CD1 4.43Å
140	A	98.4	Very high	97.2	Very high	20 Å²	20	45.9 Å²	45.9	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.3	179.7	0	0	0	0	0	110.8	F41 T49 L50 F170	F41-A140 HydrophobicContact CE1-CB 4.44Å; F41-A140 HydrophobicContact CZ-CB 3.78Å; T49-A140 WeakPolarHBondContact O-CA 3.4Å; L50-A140 HydrophobicContact CD2-CB 4.03Å; A140-F170 WeakPolarHBondContact O-CZ 3.39Å
141	V	98.6	Very high	97.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.9	176	-170.8	0	0	0	0	109.2	H48 T49 L51 F139 L143 F145 F146 F170 I181	H48-V141 CarbonylContact C-O 3.55Å; H48-V141 VanDerWaalsContact CA-O 3.31Å; H48-V141 WeakPolarHBondContact CA-O 3.36Å; T49-V141 PolarHBondContact N-O 3.4Å; T49-V141 PolarHBondContact O-N 3.16Å; L51-V141 HydrophobicContact CD1-CG2 3.96Å; F139-V141 HydrophobicContact CD2-CG2 3.66Å; F139-V141 HydrophobicContact CE2-CG2 3.59Å; V141-L143 PolarHBondContact O-N 3.34Å; V141-F145 HydrophobicContact CG1-CB 3.9Å; V141-F145 HydrophobicContact CG1-CD1 3.63Å; V141-F145 HydrophobicContact CG1-CE1 4.45Å; V141-F145 HydrophobicContact CG1-CG 3.98Å; V141-F146 HydrophobicContact CB-CE2 4.04Å; V141-F146 HydrophobicContact CB-CZ 4.05Å; V141-F146 HydrophobicContact CG1-CE1 4.5Å; V141-F146 HydrophobicContact CG1-CE2 3.64Å; V141-F146 HydrophobicContact CG1-CZ 3.63Å; V141-F146 HydrophobicContact CG2-CZ 4.47Å; V141-F170 HydrophobicContact CG1-CD2 3.94Å; V141-F170 HydrophobicContact CG1-CE2 4.02Å; V141-F170 HydrophobicContact CG1-CG 4.3Å; V141-F170 HydrophobicContact CG1-CZ 4.42Å; V141-F170 HydrophobicContact CG2-CD1 3.86Å; V141-F170 HydrophobicContact CG2-CE1 3.88Å; V141-F170 HydrophobicContact CG2-CG 4.18Å; V141-F170 HydrophobicContact CG2-CZ 4.24Å; V141-I181 HydrophobicContact CG2-CD1 4.3Å
142	P	98.4	Very high	97	Very high	37 Å²	37	44.9 Å²	44.9	24%	0.24	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.4	170.9	-17.9	28.9	0	0	0	110	D144 F145	P142-D144 PolarHBondContact O-N 3.03Å; P142-D144 VanDerWaalsContact O-N 3.15Å; P142-F145 WeakPolarHBondContact O-CB 3.14Å; P142-F145 PolarHBondContact O-N 3.19Å
143	L	98	Very high	97	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-57.9	-34	-178.5	-78.5	-170.2	0	0	0	112.5	L40 L47 T49 V141 F145 F146 V192 A193 L197	L40-L143 HydrophobicContact CD2-CD1 3.86Å; L40-L143 HydrophobicContact CD2-CD2 4.1Å; L40-L143 HydrophobicContact CD2-CG 4.26Å; L47-L143 HydrophobicContact CB-CB 4.19Å; L47-L143 HydrophobicContact CB-CD1 3.72Å; L47-L143 HydrophobicContact CB-CG 4.01Å; L47-L143 HydrophobicContact CD1-CD1 4.02Å; L47-L143 HydrophobicContact CG-CD1 4.45Å; L47-L143 PolarHBondContact O-N 2.86Å; T49-L143 HydrophobicContact CG2-CD2 3.99Å; V141-L143 PolarHBondContact O-N 3.34Å; L143-F145 PolarHBondContact O-N 3.46Å; L143-F145 VanDerWaalsContact O-N 3.13Å; L143-F146 HydrophobicContact CD2-CD2 4.41Å; L143-F146 PolarHBondContact O-N 3.45Å; L143-V192 HydrophobicContact CD1-CG1 4.3Å; L143-A193 HydrophobicContact CB-CB 4.21Å; L143-A193 VanDerWaalsContact O-CB 3.3Å; L143-A193 WeakPolarHBondContact O-CB 3.46Å; L143-L197 HydrophobicContact CB-CD1 4.26Å
144	D	97.4	Very high	96.9	Very high	36 Å²	36	46 Å²	46	19%	0.193	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61.9	-22.1	179.6	-172.6	61.1	0	0	0	112.6	P142 F146 T147 R148 L197 K199	P142-D144 PolarHBondContact O-N 3.03Å; P142-D144 VanDerWaalsContact O-N 3.15Å; D144-F146 PolarHBondContact O-N 3.09Å; D144-T147 PolarHBondContact O-N 3.29Å; D144-T147 PolarHBondContact O-OG1 3.17Å; D144-T147 PolarHBondContact OD1-OG1 3.45Å; D144-R148 WeakPolarHBondContact O-CG 3.42Å; D144-R148 IonicContact OD2-CZ 2.83Å; D144-R148 IonicContact OD2-NE 3.98Å; D144-R148 PolarHBondContact OD2-NE 2.81Å; D144-R148 IonicContact OD2-NH2 3.78Å; D144-R148 PolarHBondContact OD2-NH2 2.83Å; D144-L197 HydrophobicContact CB-CD1 3.94Å; D144-K199 IonicContact OD1-NZ 3.09Å; D144-K199 PolarHBondContact OD1-NZ 3.13Å; D144-K199 IonicContact OD2-NZ 3.83Å
145	F	98.2	Very high	96.6	Very high	20 Å²	20	47.1 Å²	47.1	9%	0.088	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-55.4	-40.8	172.9	178	-104.7	0	0	0	111.8	V141 P142 L143 T147 R148 D151 F168 F170 I181	V141-F145 HydrophobicContact CG1-CB 3.9Å; V141-F145 HydrophobicContact CG1-CD1 3.63Å; V141-F145 HydrophobicContact CG1-CE1 4.45Å; V141-F145 HydrophobicContact CG1-CG 3.98Å; P142-F145 WeakPolarHBondContact O-CB 3.14Å; P142-F145 PolarHBondContact O-N 3.19Å; L143-F145 PolarHBondContact O-N 3.46Å; L143-F145 VanDerWaalsContact O-N 3.13Å; F145-T147 PolarHBondContact O-N 2.98Å; F145-T147 VanDerWaalsContact O-N 3.08Å; F145-R148 PolarHBondContact O-N 2.61Å; F145-D151 HydrophobicContact CE2-CB 4.35Å; F145-D151 HydrophobicContact CZ-CB 4.44Å; F145-F168 HydrophobicContact CE1-CB 3.55Å; F145-F168 HydrophobicContact CE1-CD1 4.13Å; F145-F168 HydrophobicContact CE1-CG 4.11Å; F145-F168 HydrophobicContact CZ-CB 3.94Å; F145-F168 HydrophobicContact CZ-CD1 4.5Å; F145-F170 HydrophobicContact CD1-CD2 4.22Å; F145-F170 HydrophobicContact CD2-CD2 4.1Å; F145-F170 HydrophobicContact CE1-CB 3.78Å; F145-F170 HydrophobicContact CE1-CD2 4.09Å; F145-F170 HydrophobicContact CE1-CG 4.36Å; F145-F170 HydrophobicContact CE2-CD2 4Å; F145-F170 HydrophobicContact CG-CD2 4.22Å; F145-F170 HydrophobicContact CZ-CB 3.75Å; F145-F170 HydrophobicContact CZ-CD2 4Å; F145-F170 HydrophobicContact CZ-CG 4.39Å; F145-I181 HydrophobicContact CE1-CD1 4.35Å
146	F	97.6	Very high	96.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-75.7	8.8	179.3	-55.4	-71.2	0	0	0	113.9	T49 L51 V141 L143 D144 F168 I181 A189 A193 F203	T49-F146 HydrophobicContact CG2-CE2 4.07Å; L51-F146 HydrophobicContact CD1-CZ 4.16Å; V141-F146 HydrophobicContact CB-CE2 4.04Å; V141-F146 HydrophobicContact CB-CZ 4.05Å; V141-F146 HydrophobicContact CG1-CE1 4.5Å; V141-F146 HydrophobicContact CG1-CE2 3.64Å; V141-F146 HydrophobicContact CG1-CZ 3.63Å; V141-F146 HydrophobicContact CG2-CZ 4.47Å; L143-F146 HydrophobicContact CD2-CD2 4.41Å; L143-F146 PolarHBondContact O-N 3.45Å; D144-F146 PolarHBondContact O-N 3.09Å; F146-F168 HydrophobicContact CB-CZ 4.42Å; F146-F168 HydrophobicContact CD1-CD2 4.02Å; F146-F168 HydrophobicContact CD1-CE2 4.04Å; F146-F168 HydrophobicContact CD1-CG 4.29Å; F146-F168 HydrophobicContact CD1-CZ 4.31Å; F146-F168 HydrophobicContact CE1-CD2 4.47Å; F146-I181 HydrophobicContact CE1-CD1 3.83Å; F146-I181 HydrophobicContact CE1-CG2 4.09Å; F146-I181 HydrophobicContact CZ-CD1 3.99Å; F146-A189 HydrophobicContact CD1-CB 3.7Å; F146-A189 HydrophobicContact CD2-CB 3.8Å; F146-A189 HydrophobicContact CE1-CB 3.69Å; F146-A189 HydrophobicContact CE2-CB 3.79Å; F146-A189 HydrophobicContact CG-CB 3.75Å; F146-A189 HydrophobicContact CZ-CB 3.73Å; F146-A193 HydrophobicContact CB-CB 4.01Å; F146-F203 VanDerWaalsContact O-CZ 3.3Å; F146-F203 WeakPolarHBondContact O-CZ 3.23Å
147	T	96	Very high	95.2	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-118.1	-0.5	174.5	73.5	0	0	0	0	112.9	D144 F145 A193 L197 K199 P201 Q202	D144-T147 PolarHBondContact O-N 3.29Å; D144-T147 PolarHBondContact O-OG1 3.17Å; D144-T147 PolarHBondContact OD1-OG1 3.45Å; F145-T147 PolarHBondContact O-N 2.98Å; F145-T147 VanDerWaalsContact O-N 3.08Å; T147-A193 HydrophobicContact CG2-CB 3.91Å; T147-L197 HydrophobicContact CG2-CD1 4.11Å; T147-K199 PolarHBondContact OG1-NZ 3.2Å; T147-P201 WeakPolarHBondContact O-CA 3.5Å; T147-Q202 PolarHBondContact O-N 2.98Å
148	R	95.7	Very high	94.3	Very high	108 Å²	108	55 Å²	55	41%	0.408	29%	0.291	S	S	.	.			trans	-99.2	143.5	-176	-66.1	172.4	-173.2	-171.9	1.4	111	D144 F145 K150 H152 Q202 F203	D144-R148 WeakPolarHBondContact O-CG 3.42Å; D144-R148 IonicContact OD2-CZ 2.83Å; D144-R148 IonicContact OD2-NE 3.98Å; D144-R148 PolarHBondContact OD2-NE 2.81Å; D144-R148 IonicContact OD2-NH2 3.78Å; D144-R148 PolarHBondContact OD2-NH2 2.83Å; F145-R148 PolarHBondContact O-N 2.61Å; R148-K150 VanDerWaalsContact C-N 3.3Å; R148-H152 WeakPolarHBondContact O-CB 3.48Å; R148-Q202 VanDerWaalsContact CA-OE1 3.29Å; R148-F203 WeakPolarHBondContact O-CE1 3.5Å
149	E	94.3	Very high	93.2	Very high	130 Å²	130	58.1 Å²	58.1	61%	0.607	32%	0.32	S	S	*	.	S	Bend	trans	-74.9	-24.9	174	-175.5	178.5	-163.4	0	0	111.7	D151 H152 Q202	E149-D151 PolarHBondContact O-N 3.11Å; E149-H152 WeakPolarHBondContact O-CB 3.3Å; E149-H152 PolarHBondContact O-N 2.77Å; E149-H152 VanDerWaalsContact O-N 3.16Å; E149-Q202 HydrophobicContact CB-CB 3.86Å
150	K	95.3	Very high	91.8	Very high	149 Å²	149	60.6 Å²	60.6	65%	0.648	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	131.3	175.4	-169	-169.2	169.9	-177.9	0	110.2	R148 H152	R148-K150 VanDerWaalsContact C-N 3.3Å; K150-H152 PolarHBondContact O-N 3.02Å
151	D	95.3	Very high	90.6	Very high	64 Å²	64	63.7 Å²	63.7	34%	0.342	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	15.7	-179.6	-49.7	-50.9	0	0	0	113.8	F145 E149 F168 Y169	F145-D151 HydrophobicContact CE2-CB 4.35Å; F145-D151 HydrophobicContact CZ-CB 4.44Å; E149-D151 PolarHBondContact O-N 3.11Å; D151-F168 CarbonylContact O-C 3.58Å; D151-F168 VanDerWaalsContact O-CA 3.28Å; D151-F168 WeakPolarHBondContact O-CA 3.2Å; D151-Y169 WeakPolarHBondContact CB-O 3.23Å; D151-Y169 PolarHBondContact O-N 3.18Å
152	H	96.9	Very high	89.3	Confident	21 Å²	21	67.4 Å²	67.4	10%	0.097	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.4	175.6	173.6	-112.9	0	0	0	111.4	R148 E149 K150 H166 S167 F168 F203	R148-H152 WeakPolarHBondContact O-CB 3.48Å; E149-H152 WeakPolarHBondContact O-CB 3.3Å; E149-H152 PolarHBondContact O-N 2.77Å; E149-H152 VanDerWaalsContact O-N 3.16Å; K150-H152 PolarHBondContact O-N 3.02Å; H152-H166 AromaticContact CE1-ND1 3.49Å; H152-H166 PolarHBondContact CE1-ND1 2.84Å; H152-H166 AromaticContact NE2-CE1 3.95Å; H152-H166 AromaticContact NE2-CG 3.62Å; H152-H166 AromaticContact NE2-ND1 2.99Å; H152-H166 PolarHBondContact NE2-ND1 3.3Å; H152-S167 CarbonylContact C-O 3.52Å; H152-S167 WeakPolarHBondContact CA-O 3.11Å; H152-S167 PolarHBondContact CD2-O 3.32Å; H152-F168 HydrophobicContact CB-CD1 3.86Å; H152-F168 HydrophobicContact CB-CE1 3.81Å; H152-F168 AromaticContact CD2-CD1 3.78Å; H152-F168 AromaticContact CD2-CE1 3.29Å; H152-F168 WeakPolarHBondContact CD2-CE1 3.28Å; H152-F168 AromaticContact CD2-CE2 3.9Å; H152-F168 AromaticContact CD2-CZ 3.36Å; H152-F168 WeakPolarHBondContact CD2-CZ 3.26Å; H152-F168 AromaticContact CG-CE1 3.8Å; H152-F168 AromaticContact NE2-CZ 3.92Å; H152-F203 HydrophobicContact CB-CD1 4.47Å; H152-F203 HydrophobicContact CB-CE1 4.49Å; H152-F203 AromaticContact CE1-CD1 3.49Å; H152-F203 VanDerWaalsContact CE1-CD1 3.49Å; H152-F203 WeakPolarHBondContact CE1-CD1 3.32Å; H152-F203 AromaticContact CE1-CD2 3.36Å; H152-F203 WeakPolarHBondContact CE1-CD2 3.46Å; H152-F203 AromaticContact CE1-CE1 3.97Å; H152-F203 AromaticContact CE1-CE2 3.84Å; H152-F203 AromaticContact CE1-CG 3.16Å; H152-F203 WeakPolarHBondContact CE1-CG 3.48Å; H152-F203 AromaticContact CG-CD1 3.84Å; H152-F203 AromaticContact CG-CE1 3.96Å; H152-F203 AromaticContact ND1-CD1 3.35Å; H152-F203 VanDerWaalsContact ND1-CD1 3.35Å; H152-F203 WeakPolarHBondContact ND1-CD1 3.46Å; H152-F203 AromaticContact ND1-CE1 3.92Å; H152-F203 AromaticContact ND1-CG 3.45Å; H152-F203 WeakPolarHBondContact ND1-CG 3.5Å; H152-F203 AromaticContact NE2-CD2 3.74Å; H152-F203 AromaticContact NE2-CE2 3.74Å; H152-F203 AromaticContact NE2-CG 3.89Å; H152-F203 AromaticContact NE2-CZ 3.91Å
153	Y	95.3	Very high	88.2	Confident	134 Å²	134	67.2 Å²	67.2	53%	0.525	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.9	178	-58.2	-92.5	0	0	0	109.9	S167 Y169	Y153-S167 PolarHBondContact N-O 2.99Å; Y153-S167 PolarHBondContact O-N 3.4Å; Y153-Y169 AromaticContact CD2-CD2 3.59Å; Y153-Y169 HydrophobicContact CD2-CD2 3.59Å; Y153-Y169 AromaticContact CD2-CE2 3.61Å; Y153-Y169 HydrophobicContact CD2-CE2 3.61Å; Y153-Y169 AromaticContact CE2-CD2 3.47Å; Y153-Y169 HydrophobicContact CE2-CD2 3.47Å; Y153-Y169 VanDerWaalsContact CE2-CD2 3.47Å; Y153-Y169 AromaticContact CE2-CE2 3.76Å; Y153-Y169 HydrophobicContact CE2-CE2 3.76Å
154	V	92.3	Very high	87.5	Confident	63 Å²	63	68.5 Å²	68.5	38%	0.382	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.3	179.2	65.1	0	0	0	0	111.1	H156 P164 L165	V154-H156 VanDerWaalsContact CG2-CE1 3.5Å; V154-H156 WeakPolarHBondContact CG2-CE1 3.38Å; V154-P164 HydrophobicContact CG2-CB 3.43Å; V154-P164 VanDerWaalsContact CG2-CB 3.43Å; V154-L165 WeakPolarHBondContact CA-O 3.31Å
155	T	90.4	Very high	87.1	Confident	72 Å²	72	68.3 Å²	68.3	44%	0.442	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.8	170.7	-56.1	0	0	0	0	109.4	V158 L165	T155-V158 HydrophobicContact CG2-CG2 3.71Å; T155-L165 PolarHBondContact N-O 2.85Å; T155-L165 PolarHBondContact O-N 3.05Å
156	H	86.8	Confident	86.9	Confident	136 Å²	136	67.9 Å²	67.9	63%	0.63	39%	0.393	S	S	*	.			trans	-102.1	156.6	178.7	-64.8	88.5	0	0	0	111	V154 V158	V154-H156 VanDerWaalsContact CG2-CE1 3.5Å; V154-H156 WeakPolarHBondContact CG2-CE1 3.38Å; H156-V158 VanDerWaalsContact C-N 3.32Å; H156-V158 PolarHBondContact O-N 2.91Å
157	G	79.8	Confident	86.8	Confident	82 Å²	82	68.5 Å²	68.5	85%	0.845	40%	0.397	S	S	*	.			trans	69.8	24.2	172.7	0	0	0	0	0	114.8	A159	G157-A159 PolarHBondContact O-N 3.23Å
158	V	79	Confident	86.9	Confident	42 Å²	42	68.5 Å²	68.5	26%	0.255	40%	0.397	S	S	.	.			trans	-64.9	119.5	176.7	-179	0	0	0	0	109.4	T155 H156 G160 M161 L165	T155-V158 HydrophobicContact CG2-CG2 3.71Å; H156-V158 VanDerWaalsContact C-N 3.32Å; H156-V158 PolarHBondContact O-N 2.91Å; V158-G160 PolarHBondContact O-N 2.7Å; V158-M161 HydrophobicContact CB-CB 4.25Å; V158-M161 HydrophobicContact CB-CG 4.4Å; V158-M161 HydrophobicContact CB-SD 4.18Å; V158-M161 HydrophobicContact CG1-CB 4.47Å; V158-M161 HydrophobicContact CG1-CG 4.11Å; V158-M161 HydrophobicContact CG1-SD 3.8Å; V158-M161 PolarHBondContact O-N 2.96Å; V158-L165 HydrophobicContact CG2-CB 3.96Å; V158-L165 HydrophobicContact CG2-CD2 4.05Å
159	A	75	Confident	87.1	Confident	99 Å²	99	67.4 Å²	67.4	82%	0.818	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	126.8	-177.5	0	0	0	0	0	111.3	G157 M161	G157-A159 PolarHBondContact O-N 3.23Å; A159-M161 VanDerWaalsContact C-N 3.33Å
160	G	69.4	Low	87.3	Confident	59 Å²	59	61.9 Å²	61.9	61%	0.608	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	7.3	-179.7	0	0	0	0	0	115.2	V158 R223	V158-G160 PolarHBondContact O-N 2.7Å; G160-R223 PolarHBondContact O-NH2 3.15Å
161	M	72.4	Confident	87.4	Confident	85 Å²	85	63.2 Å²	63.2	42%	0.419	37%	0.368	S	S	.	.			trans	-113.3	148.8	170.2	-66.2	-173.8	62.6	0	0	111.3	V158 A159 L165	V158-M161 HydrophobicContact CB-CB 4.25Å; V158-M161 HydrophobicContact CB-CG 4.4Å; V158-M161 HydrophobicContact CB-SD 4.18Å; V158-M161 HydrophobicContact CG1-CB 4.47Å; V158-M161 HydrophobicContact CG1-CG 4.11Å; V158-M161 HydrophobicContact CG1-SD 3.8Å; V158-M161 PolarHBondContact O-N 2.96Å; A159-M161 VanDerWaalsContact C-N 3.33Å; M161-L165 HydrophobicContact CE-CB 4.39Å; M161-L165 HydrophobicContact CE-CD1 3.9Å; M161-L165 HydrophobicContact SD-CD1 4.24Å
162	T	70.7	Confident	87.5	Confident	77 Å²	77	61 Å²	61	47%	0.472	36%	0.357	S	S	.	.	S	Bend	trans	-108.6	121.3	172.1	-56.7	0	0	0	0	107.7	I219	T162-I219 HydrophobicContact CG2-CD1 4.46Å; T162-I219 HydrophobicContact CG2-CG1 4.26Å
163	G	75.9	Confident	87.4	Confident	34 Å²	34	65.7 Å²	65.7	35%	0.351	39%	0.389	S	S	.	.	S	Bend	trans	93.1	178.8	-176.7	0	0	0	0	0	114.6
164	P	84.3	Confident	87.3	Confident	28 Å²	28	63.8 Å²	63.8	18%	0.182	40%	0.401	C	S	.	.			trans	-68.7	143.8	179.7	26.4	-33.1	0	0	0	112.8	V154 H166	V154-P164 HydrophobicContact CG2-CB 3.43Å; V154-P164 VanDerWaalsContact CG2-CB 3.43Å; P164-H166 WeakPolarHBondContact CG-NE2 3.29Å
165	L	89.4	Confident	87.4	Confident	31 Å²	31	63.5 Å²	63.5	16%	0.162	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	106.8	166.9	175.5	65.4	0	0	0	109.1	V154 T155 V158 M161 G183	V154-L165 WeakPolarHBondContact CA-O 3.31Å; T155-L165 PolarHBondContact N-O 2.85Å; T155-L165 PolarHBondContact O-N 3.05Å; V158-L165 HydrophobicContact CG2-CB 3.96Å; V158-L165 HydrophobicContact CG2-CD2 4.05Å; M161-L165 HydrophobicContact CE-CB 4.39Å; M161-L165 HydrophobicContact CE-CD1 3.9Å; M161-L165 HydrophobicContact SD-CD1 4.24Å; L165-G183 VanDerWaalsContact CD1-CA 3.46Å
166	H	93.1	Very high	87.7	Confident	11 Å²	11	61.7 Å²	61.7	5%	0.051	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	142.3	176.1	-61.8	-63.4	0	0	0	112	H152 P164 F168 F182 G183 A186 D204	H152-H166 AromaticContact CE1-ND1 3.49Å; H152-H166 PolarHBondContact CE1-ND1 2.84Å; H152-H166 AromaticContact NE2-CE1 3.95Å; H152-H166 AromaticContact NE2-CG 3.62Å; H152-H166 AromaticContact NE2-ND1 2.99Å; H152-H166 PolarHBondContact NE2-ND1 3.3Å; P164-H166 WeakPolarHBondContact CG-NE2 3.29Å; H166-F168 HydrophobicContact CB-CE2 4.22Å; H166-F182 WeakPolarHBondContact O-CA 3.3Å; H166-G183 PolarHBondContact O-N 2.89Å; H166-A186 HydrophobicContact CB-CB 4.38Å; H166-D204 PolarHBondContact CE1-O 2.78Å
167	S	96.4	Very high	88.2	Confident	14 Å²	14	59.4 Å²	59.4	10%	0.098	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.4	174.1	-72.5	0	0	0	0	110	H152 Y153 H180 I181 F182	H152-S167 CarbonylContact C-O 3.52Å; H152-S167 WeakPolarHBondContact CA-O 3.11Å; H152-S167 PolarHBondContact CD2-O 3.32Å; Y153-S167 PolarHBondContact N-O 2.99Å; Y153-S167 PolarHBondContact O-N 3.4Å; S167-H180 WeakPolarHBondContact CB-NE2 3.1Å; S167-H180 PolarHBondContact OG-NE2 2.94Å; S167-H180 VanDerWaalsContact OG-NE2 3.14Å; S167-I181 CarbonylContact C-O 3.52Å; S167-I181 WeakPolarHBondContact CA-O 3.37Å; S167-F182 WeakPolarHBondContact OG-CB 3.34Å
168	F	98.3	Very high	89	Confident	0 Å²	0	62 Å²	62	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.9	174	-57.8	-95.4	0	0	0	110.3	F145 F146 D151 H152 H166 I181 A186 F203	F145-F168 HydrophobicContact CE1-CB 3.55Å; F145-F168 HydrophobicContact CE1-CD1 4.13Å; F145-F168 HydrophobicContact CE1-CG 4.11Å; F145-F168 HydrophobicContact CZ-CB 3.94Å; F145-F168 HydrophobicContact CZ-CD1 4.5Å; F146-F168 HydrophobicContact CB-CZ 4.42Å; F146-F168 HydrophobicContact CD1-CD2 4.02Å; F146-F168 HydrophobicContact CD1-CE2 4.04Å; F146-F168 HydrophobicContact CD1-CG 4.29Å; F146-F168 HydrophobicContact CD1-CZ 4.31Å; F146-F168 HydrophobicContact CE1-CD2 4.47Å; D151-F168 CarbonylContact O-C 3.58Å; D151-F168 VanDerWaalsContact O-CA 3.28Å; D151-F168 WeakPolarHBondContact O-CA 3.2Å; H152-F168 HydrophobicContact CB-CD1 3.86Å; H152-F168 HydrophobicContact CB-CE1 3.81Å; H152-F168 AromaticContact CD2-CD1 3.78Å; H152-F168 AromaticContact CD2-CE1 3.29Å; H152-F168 WeakPolarHBondContact CD2-CE1 3.28Å; H152-F168 AromaticContact CD2-CE2 3.9Å; H152-F168 AromaticContact CD2-CZ 3.36Å; H152-F168 WeakPolarHBondContact CD2-CZ 3.26Å; H152-F168 AromaticContact CG-CE1 3.8Å; H152-F168 AromaticContact NE2-CZ 3.92Å; H166-F168 HydrophobicContact CB-CE2 4.22Å; F168-I181 HydrophobicContact CB-CB 4.37Å; F168-I181 PolarHBondContact N-O 3.32Å; F168-I181 PolarHBondContact O-N 3.48Å; F168-A186 HydrophobicContact CD2-CB 3.95Å; F168-A186 HydrophobicContact CE2-CB 3.97Å; F168-F203 AromaticContact CE1-CE1 3.95Å; F168-F203 HydrophobicContact CE1-CE1 3.95Å; F168-F203 AromaticContact CE1-CZ 3.95Å; F168-F203 HydrophobicContact CE1-CZ 3.95Å; F168-F203 HydrophobicContact CZ-CE1 4.12Å; F168-F203 HydrophobicContact CZ-CE2 4.41Å; F168-F203 AromaticContact CZ-CZ 3.62Å; F168-F203 HydrophobicContact CZ-CZ 3.62Å
169	Y	98.2	Very high	90	Very high	84 Å²	84	60.7 Å²	60.7	33%	0.329	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	98.1	173.9	-69.2	-91.6	0	0	0	109.7	D151 Y153 Y179 H180	D151-Y169 WeakPolarHBondContact CB-O 3.23Å; D151-Y169 PolarHBondContact O-N 3.18Å; Y153-Y169 AromaticContact CD2-CD2 3.59Å; Y153-Y169 HydrophobicContact CD2-CD2 3.59Å; Y153-Y169 AromaticContact CD2-CE2 3.61Å; Y153-Y169 HydrophobicContact CD2-CE2 3.61Å; Y153-Y169 AromaticContact CE2-CD2 3.47Å; Y153-Y169 HydrophobicContact CE2-CD2 3.47Å; Y153-Y169 VanDerWaalsContact CE2-CD2 3.47Å; Y153-Y169 AromaticContact CE2-CE2 3.76Å; Y153-Y169 HydrophobicContact CE2-CE2 3.76Å; Y169-Y179 WeakPolarHBondContact CA-O 3.46Å; Y169-H180 HydrophobicContact CD1-CB 4.25Å; Y169-H180 HydrophobicContact CE1-CB 4.01Å; Y169-H180 AromaticContact CE1-CD2 3.84Å; Y169-H180 AromaticContact CE1-CG 3.95Å; Y169-H180 AromaticContact CZ-CD2 3.72Å
170	F	98.4	Very high	91.1	Very high	14 Å²	14	59.1 Å²	59.1	6%	0.061	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.9	-178.7	179	-108.9	0	0	0	110.3	F139 A140 V141 F145 D172 Q178 Y179 I181	F139-F170 AromaticContact CD2-CD1 3.84Å; F139-F170 HydrophobicContact CD2-CD1 3.84Å; F139-F170 AromaticContact CD2-CE1 3.9Å; F139-F170 HydrophobicContact CD2-CE1 3.9Å; F139-F170 AromaticContact CE2-CD1 3.9Å; F139-F170 HydrophobicContact CE2-CD1 3.9Å; F139-F170 HydrophobicContact CE2-CE1 4.41Å; A140-F170 WeakPolarHBondContact O-CZ 3.39Å; V141-F170 HydrophobicContact CG1-CD2 3.94Å; V141-F170 HydrophobicContact CG1-CE2 4.02Å; V141-F170 HydrophobicContact CG1-CG 4.3Å; V141-F170 HydrophobicContact CG1-CZ 4.42Å; V141-F170 HydrophobicContact CG2-CD1 3.86Å; V141-F170 HydrophobicContact CG2-CE1 3.88Å; V141-F170 HydrophobicContact CG2-CG 4.18Å; V141-F170 HydrophobicContact CG2-CZ 4.24Å; F145-F170 HydrophobicContact CD1-CD2 4.22Å; F145-F170 HydrophobicContact CD2-CD2 4.1Å; F145-F170 HydrophobicContact CE1-CB 3.78Å; F145-F170 HydrophobicContact CE1-CD2 4.09Å; F145-F170 HydrophobicContact CE1-CG 4.36Å; F145-F170 HydrophobicContact CE2-CD2 4Å; F145-F170 HydrophobicContact CG-CD2 4.22Å; F145-F170 HydrophobicContact CZ-CB 3.75Å; F145-F170 HydrophobicContact CZ-CD2 4Å; F145-F170 HydrophobicContact CZ-CG 4.39Å; F170-D172 HydrophobicContact CD1-CB 4.44Å; F170-D172 HydrophobicContact CE1-CB 3.9Å; F170-Q178 CarbonylContact O-C 3.57Å; F170-Q178 WeakPolarHBondContact O-CA 3.4Å; F170-Y179 HydrophobicContact CD1-CD2 4.33Å; F170-Y179 PolarHBondContact N-O 3.42Å; F170-Y179 PolarHBondContact O-N 3.5Å; F170-I181 HydrophobicContact CB-CD1 3.88Å
171	R	98.1	Very high	92.4	Very high	177 Å²	177	56.3 Å²	56.3	67%	0.668	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.5	168.9	-170	176	-173.7	-160.5	0	109.2	P173 G176 N177	R171-P173 WeakPolarHBondContact O-CD 3.4Å; R171-G176 PolarHBondContact NE-O 2.93Å; R171-N177 CarbonylContact C-O 3.56Å; R171-N177 WeakPolarHBondContact CA-O 3.2Å
172	D	97.4	Very high	93.6	Very high	18 Å²	18	55.4 Å²	55.4	10%	0.096	31%	0.311	C	S	.	.			trans	-68.1	120.2	178.7	170.7	31.3	0	0	0	110.1	F170 A174 S175 G176 N177 Y179	F170-D172 HydrophobicContact CD1-CB 4.44Å; F170-D172 HydrophobicContact CE1-CB 3.9Å; D172-A174 PolarHBondContact O-N 3.38Å; D172-A174 PolarHBondContact OD1-N 3.3Å; D172-A174 VanDerWaalsContact OD1-N 3.08Å; D172-S175 VanDerWaalsContact OD2-CB 3.24Å; D172-S175 WeakPolarHBondContact OD2-CB 3.42Å; D172-S175 PolarHBondContact OD2-N 3.45Å; D172-S175 PolarHBondContact OD2-OG 2.84Å; D172-G176 WeakPolarHBondContact O-CA 3.23Å; D172-G176 PolarHBondContact O-N 3.4Å; D172-N177 PolarHBondContact N-O 2.88Å; D172-Y179 HydrophobicContact CB-CD2 4.16Å; D172-Y179 HydrophobicContact CB-CE2 3.7Å
173	P	94.9	Very high	94.6	Very high	119 Å²	119	52.5 Å²	52.5	77%	0.773	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.4	-179.9	26.8	-35.3	0	0	0	113.2	R171	R171-P173 WeakPolarHBondContact O-CD 3.4Å
174	A	92.4	Very high	95.3	Very high	95 Å²	95	53.2 Å²	53.2	79%	0.785	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-50.6	-178.1	0	0	0	0	0	112.1	D172	D172-A174 PolarHBondContact O-N 3.38Å; D172-A174 PolarHBondContact OD1-N 3.3Å; D172-A174 VanDerWaalsContact OD1-N 3.08Å
175	S	95.4	Very high	95.9	Very high	57 Å²	57	52.7 Å²	52.7	40%	0.399	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-19.1	-179.1	64.8	0	0	0	0	114.4	D172 N177	D172-S175 VanDerWaalsContact OD2-CB 3.24Å; D172-S175 WeakPolarHBondContact OD2-CB 3.42Å; D172-S175 PolarHBondContact OD2-N 3.45Å; D172-S175 PolarHBondContact OD2-OG 2.84Å; S175-N177 PolarHBondContact O-N 2.81Å; S175-N177 WeakPolarHBondContact OG-CB 3.48Å; S175-N177 PolarHBondContact OG-N 2.81Å; S175-N177 PolarHBondContact OG-ND2 2.95Å
176	G	96.4	Very high	96.3	Very high	34 Å²	34	51.2 Å²	51.2	35%	0.351	28%	0.281	S	S	.	.			trans	75.6	-4.2	-171.5	0	0	0	0	0	114.5	R171 D172	R171-G176 PolarHBondContact NE-O 2.93Å; D172-G176 WeakPolarHBondContact O-CA 3.23Å; D172-G176 PolarHBondContact O-N 3.4Å
177	N	96.9	Very high	96.3	Very high	88 Å²	88	52.9 Å²	52.9	47%	0.471	29%	0.289	S	S	.	.			trans	-68.3	152	179.6	-68.8	-34.2	0	0	0	111.8	R171 D172 S175 Y179	R171-N177 CarbonylContact C-O 3.56Å; R171-N177 WeakPolarHBondContact CA-O 3.2Å; D172-N177 PolarHBondContact N-O 2.88Å; S175-N177 PolarHBondContact O-N 2.81Å; S175-N177 WeakPolarHBondContact OG-CB 3.48Å; S175-N177 PolarHBondContact OG-N 2.81Å; S175-N177 PolarHBondContact OG-ND2 2.95Å; N177-Y179 HydrophobicContact CB-CE2 3.73Å; N177-Y179 PolarHBondContact ND2-OH 2.88Å
178	Q	97.6	Very high	96.2	Very high	135 Å²	135	52.4 Å²	52.4	63%	0.631	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.9	174.3	-168.5	172.8	-80.1	0	0	110.3	F170	F170-Q178 CarbonylContact O-C 3.57Å; F170-Q178 WeakPolarHBondContact O-CA 3.4Å
179	Y	98.4	Very high	96.2	Very high	15 Å²	15	52.4 Å²	52.4	6%	0.059	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.2	-177.6	-63.5	-79	0	0	0	110.3	L53 V65 A137 F139 Y169 F170 D172 N177	L53-Y179 HydrophobicContact CB-CE1 4.22Å; L53-Y179 HydrophobicContact CD2-CE1 4.07Å; V65-Y179 HydrophobicContact CG2-CD1 4.25Å; A137-Y179 HydrophobicContact CB-CE1 4.3Å; F139-Y179 HydrophobicContact CB-CE2 4.34Å; F139-Y179 HydrophobicContact CD1-CD1 4.01Å; F139-Y179 HydrophobicContact CD1-CD2 4.11Å; F139-Y179 AromaticContact CD1-CE1 3.8Å; F139-Y179 HydrophobicContact CD1-CE1 3.8Å; F139-Y179 AromaticContact CD1-CE2 3.92Å; F139-Y179 HydrophobicContact CD1-CE2 3.92Å; F139-Y179 HydrophobicContact CD1-CG 4.16Å; F139-Y179 AromaticContact CD1-CZ 3.76Å; F139-Y179 HydrophobicContact CD2-CD2 4.02Å; F139-Y179 HydrophobicContact CD2-CE2 4.31Å; F139-Y179 HydrophobicContact CD2-CG 4.4Å; F139-Y179 AromaticContact CE1-CD1 3.45Å; F139-Y179 HydrophobicContact CE1-CD1 3.45Å; F139-Y179 VanDerWaalsContact CE1-CD1 3.45Å; F139-Y179 HydrophobicContact CE1-CD2 4.07Å; F139-Y179 AromaticContact CE1-CE1 3.68Å; F139-Y179 HydrophobicContact CE1-CE1 3.68Å; F139-Y179 HydrophobicContact CE1-CE2 4.27Å; F139-Y179 AromaticContact CE1-CG 3.66Å; F139-Y179 HydrophobicContact CE1-CG 3.66Å; F139-Y179 AromaticContact CE2-CD2 3.95Å; F139-Y179 HydrophobicContact CE2-CD2 3.95Å; F139-Y179 AromaticContact CE2-CG 3.91Å; F139-Y179 HydrophobicContact CE2-CG 3.91Å; F139-Y179 HydrophobicContact CG-CD2 4.09Å; F139-Y179 AromaticContact CG-CE2 3.94Å; F139-Y179 HydrophobicContact CG-CE2 3.94Å; F139-Y179 HydrophobicContact CG-CG 4.5Å; F139-Y179 AromaticContact CZ-CD1 3.75Å; F139-Y179 HydrophobicContact CZ-CD1 3.75Å; F139-Y179 AromaticContact CZ-CD2 3.96Å; F139-Y179 HydrophobicContact CZ-CD2 3.96Å; F139-Y179 HydrophobicContact CZ-CE1 4.39Å; F139-Y179 AromaticContact CZ-CG 3.5Å; F139-Y179 HydrophobicContact CZ-CG 3.5Å; Y169-Y179 WeakPolarHBondContact CA-O 3.46Å; F170-Y179 HydrophobicContact CD1-CD2 4.33Å; F170-Y179 PolarHBondContact N-O 3.42Å; F170-Y179 PolarHBondContact O-N 3.5Å; D172-Y179 HydrophobicContact CB-CD2 4.16Å; D172-Y179 HydrophobicContact CB-CE2 3.7Å; N177-Y179 HydrophobicContact CB-CE2 3.73Å; N177-Y179 PolarHBondContact ND2-OH 2.88Å
180	H	98.2	Very high	96.1	Very high	67 Å²	67	48.5 Å²	48.5	31%	0.31	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.9	174.7	178.4	-144	0	0	0	109.6	V65 S167 Y169 F182	V65-H180 WeakPolarHBondContact CG2-O 3.21Å; S167-H180 WeakPolarHBondContact CB-NE2 3.1Å; S167-H180 PolarHBondContact OG-NE2 2.94Å; S167-H180 VanDerWaalsContact OG-NE2 3.14Å; Y169-H180 HydrophobicContact CD1-CB 4.25Å; Y169-H180 HydrophobicContact CE1-CB 4.01Å; Y169-H180 AromaticContact CE1-CD2 3.84Å; Y169-H180 AromaticContact CE1-CG 3.95Å; Y169-H180 AromaticContact CZ-CD2 3.72Å; H180-F182 AromaticContact CE1-CD1 3.53Å; H180-F182 AromaticContact CE1-CG 3.65Å; H180-F182 AromaticContact ND1-CD1 3.59Å; H180-F182 AromaticContact NE2-CG 3.94Å
181	I	98.4	Very high	95.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113	-177.7	-46.4	171.8	0	0	0	107.4	L51 V65 F139 V141 F145 F146 S167 F168 F170 T185 A186	L51-I181 HydrophobicContact CD1-CD1 3.68Å; L51-I181 HydrophobicContact CD1-CG1 4.21Å; L51-I181 HydrophobicContact CD1-CG2 4.18Å; V65-I181 HydrophobicContact CG1-CG1 4.1Å; V65-I181 HydrophobicContact CG1-CG2 4.45Å; F139-I181 HydrophobicContact CE2-CD1 4.43Å; V141-I181 HydrophobicContact CG2-CD1 4.3Å; F145-I181 HydrophobicContact CE1-CD1 4.35Å; F146-I181 HydrophobicContact CE1-CD1 3.83Å; F146-I181 HydrophobicContact CE1-CG2 4.09Å; F146-I181 HydrophobicContact CZ-CD1 3.99Å; S167-I181 CarbonylContact C-O 3.52Å; S167-I181 WeakPolarHBondContact CA-O 3.37Å; F168-I181 HydrophobicContact CB-CB 4.37Å; F168-I181 PolarHBondContact N-O 3.32Å; F168-I181 PolarHBondContact O-N 3.48Å; F170-I181 HydrophobicContact CB-CD1 3.88Å; I181-T185 HydrophobicContact CG2-CG2 3.86Å; I181-A186 HydrophobicContact CG2-CB 4.44Å
182	F	95.8	Very high	95.8	Very high	66 Å²	66	40 Å²	40	29%	0.289	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	174.5	-173.6	73.1	-74.9	0	0	0	112.8	E64 H166 S167 H180 L184 T185 A186	E64-F182 HydrophobicContact CG-CZ 4.41Å; H166-F182 WeakPolarHBondContact O-CA 3.3Å; S167-F182 WeakPolarHBondContact OG-CB 3.34Å; H180-F182 AromaticContact CE1-CD1 3.53Å; H180-F182 AromaticContact CE1-CG 3.65Å; H180-F182 AromaticContact ND1-CD1 3.59Å; H180-F182 AromaticContact NE2-CG 3.94Å; F182-L184 PolarHBondContact O-N 3.37Å; F182-T185 PolarHBondContact O-N 3.09Å; F182-A186 PolarHBondContact O-N 3.01Å
183	G	91.9	Very high	95.8	Very high	16 Å²	16	39.1 Å²	39.1	17%	0.165	23%	0.234	C	C	.	.	H	α-helix	trans	64.4	-135.7	171.4	0	0	0	0	0	112.7	L165 H166 T185 A186 M187	L165-G183 VanDerWaalsContact CD1-CA 3.46Å; H166-G183 PolarHBondContact O-N 2.89Å; G183-T185 VanDerWaalsContact C-N 3.31Å; G183-T185 PolarHBondContact O-N 3.29Å; G183-A186 PolarHBondContact O-N 3.29Å; G183-M187 PolarHBondContact O-N 3.38Å
184	L	92.3	Very high	95.7	Very high	48 Å²	48	33.9 Å²	33.9	25%	0.251	20%	0.2	S	C	.	.	H	α-helix	trans	-59.8	-41.6	-176.9	176.1	57.4	0	0	0	111.8	V107 V115 F182 M187 L188	V107-L184 HydrophobicContact CB-CD1 4.21Å; V107-L184 HydrophobicContact CG2-CD1 3.4Å; V107-L184 VanDerWaalsContact CG2-CD1 3.4Å; V115-L184 HydrophobicContact CB-CD2 4.26Å; V115-L184 HydrophobicContact CG1-CD2 4.42Å; V115-L184 HydrophobicContact CG2-CD2 3.94Å; F182-L184 PolarHBondContact O-N 3.37Å; L184-M187 HydrophobicContact CD1-CE 3.46Å; L184-M187 VanDerWaalsContact CD1-CE 3.46Å; L184-M187 PolarHBondContact O-N 3.47Å; L184-L188 HydrophobicContact CD1-CD1 3.98Å; L184-L188 HydrophobicContact CD1-CD2 4.49Å; L184-L188 HydrophobicContact CD1-CG 3.92Å; L184-L188 HydrophobicContact CG-CD1 4.13Å; L184-L188 HydrophobicContact CG-CG 4.46Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 2.78Å
185	T	96.8	Very high	95.7	Very high	17 Å²	17	29.9 Å²	29.9	10%	0.104	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-49.1	177.9	-49.9	0	0	0	0	111.2	L51 V65 F67 I181 F182 G183 M187 L188 A189	L51-T185 HydrophobicContact CD2-CG2 3.76Å; V65-T185 PolarHBondContact O-OG1 3.3Å; F67-T185 HydrophobicContact CD2-CG2 4.12Å; F67-T185 HydrophobicContact CE2-CG2 4.09Å; I181-T185 HydrophobicContact CG2-CG2 3.86Å; F182-T185 PolarHBondContact O-N 3.09Å; G183-T185 VanDerWaalsContact C-N 3.31Å; G183-T185 PolarHBondContact O-N 3.29Å; T185-M187 VanDerWaalsContact C-N 3.33Å; T185-M187 PolarHBondContact O-N 3.08Å; T185-L188 PolarHBondContact O-N 2.84Å; T185-A189 VanDerWaalsContact O-CB 3.29Å; T185-A189 WeakPolarHBondContact O-CB 3.31Å; T185-A189 PolarHBondContact O-N 2.88Å
186	A	96.3	Very high	95.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64	-36.8	178.9	0	0	0	0	0	112.9	H166 F168 I181 F182 G183 T190	H166-A186 HydrophobicContact CB-CB 4.38Å; F168-A186 HydrophobicContact CD2-CB 3.95Å; F168-A186 HydrophobicContact CE2-CB 3.97Å; I181-A186 HydrophobicContact CG2-CB 4.44Å; F182-A186 PolarHBondContact O-N 3.01Å; G183-A186 PolarHBondContact O-N 3.29Å; A186-T190 VanDerWaalsContact O-CB 3.29Å; A186-T190 WeakPolarHBondContact O-CB 3.44Å; A186-T190 PolarHBondContact O-N 2.78Å; A186-T190 PolarHBondContact O-OG1 3.44Å
187	M	93.4	Very high	95.6	Very high	46 Å²	46	28.4 Å²	28.4	23%	0.227	15%	0.145	C	C	.	.	H	α-helix	trans	-64.6	-48.8	176	-176.8	-163.8	81.9	0	0	111.4	V107 G183 L184 T185 T190 L191 F216	V107-M187 HydrophobicContact CB-CE 4.03Å; V107-M187 HydrophobicContact CG1-CE 3.76Å; V107-M187 HydrophobicContact CG2-CE 3.97Å; G183-M187 PolarHBondContact O-N 3.38Å; L184-M187 HydrophobicContact CD1-CE 3.46Å; L184-M187 VanDerWaalsContact CD1-CE 3.46Å; L184-M187 PolarHBondContact O-N 3.47Å; T185-M187 VanDerWaalsContact C-N 3.33Å; T185-M187 PolarHBondContact O-N 3.08Å; M187-T190 PolarHBondContact O-N 3.49Å; M187-L191 WeakPolarHBondContact O-CB 3.35Å; M187-L191 PolarHBondContact O-N 3.37Å; M187-F216 HydrophobicContact CE-CE1 3.81Å; M187-F216 HydrophobicContact CE-CZ 4.42Å; M187-F216 HydrophobicContact CG-CE1 4.41Å; M187-F216 HydrophobicContact SD-CE1 3.76Å; M187-F216 HydrophobicContact SD-CZ 4.42Å
188	L	95.6	Very high	95.2	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-42.3	178.5	-69.8	178.4	0	0	0	112	V36 I38 F67 V107 P117 L184 T185 L191 V192	V36-L188 HydrophobicContact CG2-CD1 3.94Å; I38-L188 HydrophobicContact CD1-CB 4.15Å; F67-L188 HydrophobicContact CD2-CB 4.42Å; F67-L188 HydrophobicContact CD2-CD1 4.44Å; F67-L188 HydrophobicContact CE2-CB 3.85Å; V107-L188 HydrophobicContact CG2-CD2 4.13Å; P117-L188 HydrophobicContact CB-CD1 4.23Å; P117-L188 HydrophobicContact CB-CD2 3.98Å; P117-L188 HydrophobicContact CG-CD1 4.2Å; P117-L188 HydrophobicContact CG-CD2 3.53Å; L184-L188 HydrophobicContact CD1-CD1 3.98Å; L184-L188 HydrophobicContact CD1-CD2 4.49Å; L184-L188 HydrophobicContact CD1-CG 3.92Å; L184-L188 HydrophobicContact CG-CD1 4.13Å; L184-L188 HydrophobicContact CG-CG 4.46Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 2.78Å; T185-L188 PolarHBondContact O-N 2.84Å; L188-L191 PolarHBondContact O-N 3.46Å; L188-V192 WeakPolarHBondContact O-CG2 3.37Å; L188-V192 PolarHBondContact O-N 2.83Å
189	A	97.6	Very high	94.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-62.9	-44.4	177	0	0	0	0	0	112	F67 F146 T185 V192 A193	F67-A189 HydrophobicContact CE2-CB 4.33Å; F67-A189 HydrophobicContact CZ-CB 3.97Å; F146-A189 HydrophobicContact CD1-CB 3.7Å; F146-A189 HydrophobicContact CD2-CB 3.8Å; F146-A189 HydrophobicContact CE1-CB 3.69Å; F146-A189 HydrophobicContact CE2-CB 3.79Å; F146-A189 HydrophobicContact CG-CB 3.75Å; F146-A189 HydrophobicContact CZ-CB 3.73Å; T185-A189 VanDerWaalsContact O-CB 3.29Å; T185-A189 WeakPolarHBondContact O-CB 3.31Å; T185-A189 PolarHBondContact O-N 2.88Å; A189-V192 PolarHBondContact O-N 3.46Å; A189-A193 WeakPolarHBondContact O-CB 3.4Å; A189-A193 PolarHBondContact O-N 2.86Å
190	T	95.6	Very high	94.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-46.2	174.3	-57.3	0	0	0	0	111.2	A186 M187 A193 V194 P201 F203 V205	A186-T190 VanDerWaalsContact O-CB 3.29Å; A186-T190 WeakPolarHBondContact O-CB 3.44Å; A186-T190 PolarHBondContact O-N 2.78Å; A186-T190 PolarHBondContact O-OG1 3.44Å; M187-T190 PolarHBondContact O-N 3.49Å; T190-A193 PolarHBondContact O-N 2.95Å; T190-V194 HydrophobicContact CG2-CG2 4.4Å; T190-V194 WeakPolarHBondContact O-CG2 3.38Å; T190-V194 PolarHBondContact O-N 3.4Å; T190-P201 HydrophobicContact CG2-CG 4.49Å; T190-F203 HydrophobicContact CG2-CE2 4.13Å; T190-F203 HydrophobicContact CG2-CZ 4.32Å; T190-V205 HydrophobicContact CG2-CG1 3.71Å
191	L	93.9	Very high	94	Very high	13 Å²	13	32 Å²	32	7%	0.068	16%	0.155	C	C	.	.	H	α-helix	trans	-57.5	-53.8	177.9	176.6	63.2	0	0	0	111.1	L104 M187 L188 A193 V194 L195 F207 P212 F216	L104-L191 HydrophobicContact CD1-CD2 4.29Å; M187-L191 WeakPolarHBondContact O-CB 3.35Å; M187-L191 PolarHBondContact O-N 3.37Å; L188-L191 PolarHBondContact O-N 3.46Å; L191-A193 VanDerWaalsContact C-N 3.31Å; L191-A193 PolarHBondContact O-N 2.65Å; L191-V194 PolarHBondContact O-N 2.96Å; L191-L195 HydrophobicContact CD1-CD1 3.93Å; L191-L195 HydrophobicContact CD1-CG 4.11Å; L191-L195 HydrophobicContact CG-CD1 4.11Å; L191-L195 VanDerWaalsContact O-CG 3.3Å; L191-L195 WeakPolarHBondContact O-CG 3.23Å; L191-L195 PolarHBondContact O-N 2.91Å; L191-F207 HydrophobicContact CD1-CE2 3.98Å; L191-F207 HydrophobicContact CD1-CZ 4.07Å; L191-P212 HydrophobicContact CD1-CB 3.9Å; L191-P212 HydrophobicContact CD1-CG 4.27Å; L191-F216 HydrophobicContact CD1-CE2 4.18Å; L191-F216 HydrophobicContact CD2-CE2 3.89Å; L191-F216 HydrophobicContact CD2-CZ 4.16Å
192	V	96.5	Very high	93.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-37.6	-179.2	173.6	0	0	0	0	111.4	I38 L40 L104 V119 L143 L188 A189 S196	I38-V192 HydrophobicContact CD1-CG2 3.71Å; I38-V192 HydrophobicContact CG2-CG1 4.24Å; I38-V192 HydrophobicContact CG2-CG2 4.23Å; L40-V192 HydrophobicContact CD1-CG1 4Å; L40-V192 HydrophobicContact CD2-CG1 4.09Å; L104-V192 HydrophobicContact CD1-CG2 3.75Å; V119-V192 HydrophobicContact CG2-CG2 4.14Å; L143-V192 HydrophobicContact CD1-CG1 4.3Å; L188-V192 WeakPolarHBondContact O-CG2 3.37Å; L188-V192 PolarHBondContact O-N 2.83Å; A189-V192 PolarHBondContact O-N 3.46Å; V192-S196 WeakPolarHBondContact O-CB 3.18Å; V192-S196 PolarHBondContact O-N 3.16Å; V192-S196 PolarHBondContact O-OG 3.12Å
193	A	96.7	Very high	93.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-47.3	175.3	0	0	0	0	0	111.9	L143 F146 T147 A189 T190 L191 S196 L197	L143-A193 HydrophobicContact CB-CB 4.21Å; L143-A193 VanDerWaalsContact O-CB 3.3Å; L143-A193 WeakPolarHBondContact O-CB 3.46Å; F146-A193 HydrophobicContact CB-CB 4.01Å; T147-A193 HydrophobicContact CG2-CB 3.91Å; A189-A193 WeakPolarHBondContact O-CB 3.4Å; A189-A193 PolarHBondContact O-N 2.86Å; T190-A193 PolarHBondContact O-N 2.95Å; L191-A193 VanDerWaalsContact C-N 3.31Å; L191-A193 PolarHBondContact O-N 2.65Å; A193-S196 PolarHBondContact O-N 3.26Å; A193-L197 HydrophobicContact CB-CD1 4.43Å; A193-L197 WeakPolarHBondContact O-CB 3.23Å; A193-L197 WeakPolarHBondContact O-CG 3.28Å; A193-L197 PolarHBondContact O-N 2.8Å
194	V	93.6	Very high	93.2	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.055	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-45.8	179.1	173	0	0	0	0	111.7	T190 L191 K198 P201 L209	T190-V194 HydrophobicContact CG2-CG2 4.4Å; T190-V194 WeakPolarHBondContact O-CG2 3.38Å; T190-V194 PolarHBondContact O-N 3.4Å; L191-V194 PolarHBondContact O-N 2.96Å; V194-K198 WeakPolarHBondContact O-CA 3.37Å; V194-K198 PolarHBondContact O-N 2.98Å; V194-P201 HydrophobicContact CG2-CG 3.27Å; V194-L209 HydrophobicContact CB-CD2 4.45Å; V194-L209 HydrophobicContact CG1-CB 4.23Å; V194-L209 HydrophobicContact CG1-CD1 3.96Å; V194-L209 HydrophobicContact CG1-CD2 3.68Å; V194-L209 HydrophobicContact CG1-CG 4.15Å; V194-L209 HydrophobicContact CG2-CD2 4.36Å
195	L	92.9	Very high	92.7	Very high	11 Å²	11	39 Å²	39	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-45.1	179.7	-66.6	-176.9	0	0	0	111.6	T15 L16 F19 L191 P212	T15-L195 VanDerWaalsContact CG2-O 3.25Å; T15-L195 WeakPolarHBondContact CG2-O 3.36Å; L16-L195 HydrophobicContact CD2-CB 3.88Å; L16-L195 HydrophobicContact CD2-CD1 4.31Å; F19-L195 HydrophobicContact CB-CD1 4.39Å; F19-L195 HydrophobicContact CD1-CD1 4.3Å; F19-L195 HydrophobicContact CD1-CD2 4.31Å; F19-L195 HydrophobicContact CD2-CD1 3.96Å; F19-L195 HydrophobicContact CD2-CD2 4.11Å; F19-L195 HydrophobicContact CE1-CD2 3.84Å; F19-L195 HydrophobicContact CE2-CD1 4.34Å; F19-L195 HydrophobicContact CE2-CD2 3.62Å; F19-L195 HydrophobicContact CE2-CG 4.42Å; F19-L195 HydrophobicContact CG-CD1 3.94Å; F19-L195 HydrophobicContact CG-CD2 4.43Å; F19-L195 HydrophobicContact CZ-CD2 3.46Å; F19-L195 VanDerWaalsContact CZ-CD2 3.46Å; L191-L195 HydrophobicContact CD1-CD1 3.93Å; L191-L195 HydrophobicContact CD1-CG 4.11Å; L191-L195 HydrophobicContact CG-CD1 4.11Å; L191-L195 VanDerWaalsContact O-CG 3.3Å; L191-L195 WeakPolarHBondContact O-CG 3.23Å; L191-L195 PolarHBondContact O-N 2.91Å; L195-P212 HydrophobicContact CD2-CG 4.36Å
196	S	95	Very high	91.7	Very high	7 Å²	7	39.7 Å²	39.7	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-73.3	-41.1	-176.1	-53.3	0	0	0	0	112.3	V192 A193	V192-S196 WeakPolarHBondContact O-CB 3.18Å; V192-S196 PolarHBondContact O-N 3.16Å; V192-S196 PolarHBondContact O-OG 3.12Å; A193-S196 PolarHBondContact O-N 3.26Å
197	L	93.7	Very high	90.7	Very high	53 Å²	53	40.9 Å²	40.9	28%	0.277	20%	0.203	S	C	.	.	H	α-helix	trans	-87	-9.4	-177.1	-57.8	174	0	0	0	113.1	L47 L143 D144 T147 A193 K199	L47-L197 HydrophobicContact CD1-CD2 4.15Å; L143-L197 HydrophobicContact CB-CD1 4.26Å; D144-L197 HydrophobicContact CB-CD1 3.94Å; T147-L197 HydrophobicContact CG2-CD1 4.11Å; A193-L197 HydrophobicContact CB-CD1 4.43Å; A193-L197 WeakPolarHBondContact O-CB 3.23Å; A193-L197 WeakPolarHBondContact O-CG 3.28Å; A193-L197 PolarHBondContact O-N 2.8Å; L197-K199 HydrophobicContact CB-CB 4.06Å; L197-K199 PolarHBondContact O-N 2.98Å; L197-K199 VanDerWaalsContact O-N 3.1Å
198	K	89.6	Confident	90	Very high	137 Å²	137	43.1 Å²	43.1	60%	0.596	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	36.1	-175.5	-59.3	172.1	-175.8	163.7	0	112.1	T15 V194	T15-K198 WeakPolarHBondContact OG1-CE 3.42Å; T15-K198 PolarHBondContact OG1-NZ 2.61Å; V194-K198 WeakPolarHBondContact O-CA 3.37Å; V194-K198 PolarHBondContact O-N 2.98Å
199	K	86.9	Confident	88.9	Confident	72 Å²	72	44.9 Å²	44.9	31%	0.313	23%	0.225	S	C	.	.			trans	-122.8	136.6	-170.8	177.3	-178.1	166.3	-165.1	0	109.8	D144 T147 L197	D144-K199 IonicContact OD1-NZ 3.09Å; D144-K199 PolarHBondContact OD1-NZ 3.13Å; D144-K199 IonicContact OD2-NZ 3.83Å; T147-K199 PolarHBondContact OG1-NZ 3.2Å; L197-K199 HydrophobicContact CB-CB 4.06Å; L197-K199 PolarHBondContact O-N 2.98Å; L197-K199 VanDerWaalsContact O-N 3.1Å
200	K	88.8	Confident	87.8	Confident	164 Å²	164	52.2 Å²	52.2	71%	0.713	26%	0.263	S	S	*	.			trans	-72.5	129.4	171.1	-171.9	177.3	179.2	179.5	0	110	L209	K200-L209 HydrophobicContact CB-CD1 4.18Å; K200-L209 HydrophobicContact CG-CD1 3.9Å
201	P	92.3	Very high	87.1	Confident	8 Å²	8	56 Å²	56	5%	0.052	28%	0.283	C	S	.	.			trans	-61.8	157.1	172.6	-26.1	38.9	0	0	0	112.5	T147 T190 V194 F203 V205	T147-P201 WeakPolarHBondContact O-CA 3.5Å; T190-P201 HydrophobicContact CG2-CG 4.49Å; V194-P201 HydrophobicContact CG2-CG 3.27Å; P201-F203 HydrophobicContact CB-CD1 4.29Å; P201-F203 HydrophobicContact CB-CD2 4.09Å; P201-F203 HydrophobicContact CB-CE1 4.06Å; P201-F203 HydrophobicContact CB-CE2 3.86Å; P201-F203 HydrophobicContact CB-CG 4.3Å; P201-F203 HydrophobicContact CB-CZ 3.83Å; P201-F203 PolarHBondContact O-N 2.8Å; P201-V205 HydrophobicContact CB-CG1 4.17Å; P201-V205 HydrophobicContact CG-CG1 3.7Å
202	Q	94	Very high	86.4	Confident	112 Å²	112	55.6 Å²	55.6	52%	0.523	28%	0.281	S	S	.	.	S	Bend	trans	-75.7	4.3	176.1	-66.5	177.9	-24.8	0	0	113.3	T147 R148 E149	T147-Q202 PolarHBondContact O-N 2.98Å; R148-Q202 VanDerWaalsContact CA-OE1 3.29Å; E149-Q202 HydrophobicContact CB-CB 3.86Å
203	F	91.1	Very high	85.6	Confident	26 Å²	26	57.8 Å²	57.8	11%	0.114	29%	0.293	C	S	.	.	S	Bend	trans	-136.9	163.9	179.7	50.1	-98.4	0	0	0	109.8	F146 R148 H152 F168 T190 P201 V205	F146-F203 VanDerWaalsContact O-CZ 3.3Å; F146-F203 WeakPolarHBondContact O-CZ 3.23Å; R148-F203 WeakPolarHBondContact O-CE1 3.5Å; H152-F203 HydrophobicContact CB-CD1 4.47Å; H152-F203 HydrophobicContact CB-CE1 4.49Å; H152-F203 AromaticContact CE1-CD1 3.49Å; H152-F203 VanDerWaalsContact CE1-CD1 3.49Å; H152-F203 WeakPolarHBondContact CE1-CD1 3.32Å; H152-F203 AromaticContact CE1-CD2 3.36Å; H152-F203 WeakPolarHBondContact CE1-CD2 3.46Å; H152-F203 AromaticContact CE1-CE1 3.97Å; H152-F203 AromaticContact CE1-CE2 3.84Å; H152-F203 AromaticContact CE1-CG 3.16Å; H152-F203 WeakPolarHBondContact CE1-CG 3.48Å; H152-F203 AromaticContact CG-CD1 3.84Å; H152-F203 AromaticContact CG-CE1 3.96Å; H152-F203 AromaticContact ND1-CD1 3.35Å; H152-F203 VanDerWaalsContact ND1-CD1 3.35Å; H152-F203 WeakPolarHBondContact ND1-CD1 3.46Å; H152-F203 AromaticContact ND1-CE1 3.92Å; H152-F203 AromaticContact ND1-CG 3.45Å; H152-F203 WeakPolarHBondContact ND1-CG 3.5Å; H152-F203 AromaticContact NE2-CD2 3.74Å; H152-F203 AromaticContact NE2-CE2 3.74Å; H152-F203 AromaticContact NE2-CG 3.89Å; H152-F203 AromaticContact NE2-CZ 3.91Å; F168-F203 AromaticContact CE1-CE1 3.95Å; F168-F203 HydrophobicContact CE1-CE1 3.95Å; F168-F203 AromaticContact CE1-CZ 3.95Å; F168-F203 HydrophobicContact CE1-CZ 3.95Å; F168-F203 HydrophobicContact CZ-CE1 4.12Å; F168-F203 HydrophobicContact CZ-CE2 4.41Å; F168-F203 AromaticContact CZ-CZ 3.62Å; F168-F203 HydrophobicContact CZ-CZ 3.62Å; T190-F203 HydrophobicContact CG2-CE2 4.13Å; T190-F203 HydrophobicContact CG2-CZ 4.32Å; P201-F203 HydrophobicContact CB-CD1 4.29Å; P201-F203 HydrophobicContact CB-CD2 4.09Å; P201-F203 HydrophobicContact CB-CE1 4.06Å; P201-F203 HydrophobicContact CB-CE2 3.86Å; P201-F203 HydrophobicContact CB-CG 4.3Å; P201-F203 HydrophobicContact CB-CZ 3.83Å; P201-F203 PolarHBondContact O-N 2.8Å; F203-V205 HydrophobicContact CD2-CG1 4.17Å; F203-V205 HydrophobicContact CE2-CG1 3.86Å
204	D	85.6	Confident	84.9	Confident	128 Å²	128	60 Å²	60	68%	0.684	31%	0.312	S	S	*	.			trans	-75.7	126.7	174.2	-170.3	-2.8	0	0	0	110.3	H166 G206	H166-D204 PolarHBondContact CE1-O 2.78Å; D204-G206 PolarHBondContact OD1-N 3.38Å
205	V	80.9	Confident	84.2	Confident	10 Å²	10	61.9 Å²	61.9	6%	0.061	32%	0.319	C	S	.	.			trans	-91.7	-10.3	178.4	-65.7	0	0	0	0	113.1	T190 P201 F203 F207 L209	T190-V205 HydrophobicContact CG2-CG1 3.71Å; P201-V205 HydrophobicContact CB-CG1 4.17Å; P201-V205 HydrophobicContact CG-CG1 3.7Å; F203-V205 HydrophobicContact CD2-CG1 4.17Å; F203-V205 HydrophobicContact CE2-CG1 3.86Å; V205-F207 VanDerWaalsContact C-N 3.27Å; V205-F207 HydrophobicContact CB-CD1 4.01Å; V205-F207 HydrophobicContact CB-CE1 3.73Å; V205-F207 HydrophobicContact CB-CZ 4.1Å; V205-F207 HydrophobicContact CG2-CD1 4.01Å; V205-F207 HydrophobicContact CG2-CD2 4.21Å; V205-F207 HydrophobicContact CG2-CE1 3.99Å; V205-F207 HydrophobicContact CG2-CE2 4.18Å; V205-F207 HydrophobicContact CG2-CG 4.13Å; V205-F207 HydrophobicContact CG2-CZ 4.06Å; V205-F207 WeakPolarHBondContact CG2-O 3.43Å; V205-F207 VanDerWaalsContact O-CD1 3.31Å; V205-F207 WeakPolarHBondContact O-CD1 3.28Å; V205-F207 PolarHBondContact O-N 2.96Å; V205-L209 HydrophobicContact CG2-CD2 3.56Å; V205-L209 HydrophobicContact CG2-CG 4.45Å
206	G	76.4	Confident	83.5	Confident	31 Å²	31	61.7 Å²	61.7	32%	0.32	32%	0.318	S	S	.	.	S	Bend	trans	74.2	7.9	-180	0	0	0	0	0	115.6	D204 F215	D204-G206 PolarHBondContact OD1-N 3.38Å; G206-F215 WeakPolarHBondContact O-CE2 3.37Å
207	F	75.3	Confident	82.9	Confident	25 Å²	25	65.4 Å²	65.4	11%	0.11	33%	0.333	C	S	.	.	S	Bend	trans	-139	156.8	173.9	62.6	-97.1	0	0	0	112.2	L191 V205 L209 P212 F215 F216	L191-F207 HydrophobicContact CD1-CE2 3.98Å; L191-F207 HydrophobicContact CD1-CZ 4.07Å; V205-F207 VanDerWaalsContact C-N 3.27Å; V205-F207 HydrophobicContact CB-CD1 4.01Å; V205-F207 HydrophobicContact CB-CE1 3.73Å; V205-F207 HydrophobicContact CB-CZ 4.1Å; V205-F207 HydrophobicContact CG2-CD1 4.01Å; V205-F207 HydrophobicContact CG2-CD2 4.21Å; V205-F207 HydrophobicContact CG2-CE1 3.99Å; V205-F207 HydrophobicContact CG2-CE2 4.18Å; V205-F207 HydrophobicContact CG2-CG 4.13Å; V205-F207 HydrophobicContact CG2-CZ 4.06Å; V205-F207 WeakPolarHBondContact CG2-O 3.43Å; V205-F207 VanDerWaalsContact O-CD1 3.31Å; V205-F207 WeakPolarHBondContact O-CD1 3.28Å; V205-F207 PolarHBondContact O-N 2.96Å; F207-L209 HydrophobicContact CD2-CD2 4.14Å; F207-L209 HydrophobicContact CE2-CD2 3.69Å; F207-L209 HydrophobicContact CZ-CD2 4.37Å; F207-L209 PolarHBondContact O-N 2.86Å; F207-P212 HydrophobicContact CD2-CB 3.88Å; F207-P212 HydrophobicContact CE2-CB 4.01Å; F207-F215 HydrophobicContact CB-CB 3.67Å; F207-F215 HydrophobicContact CB-CD1 3.53Å; F207-F215 HydrophobicContact CB-CD2 3.87Å; F207-F215 HydrophobicContact CB-CE1 4.01Å; F207-F215 HydrophobicContact CB-CE2 4.33Å; F207-F215 HydrophobicContact CB-CG 3.42Å; F207-F215 VanDerWaalsContact CB-CG 3.42Å; F207-F215 HydrophobicContact CB-CZ 4.37Å; F207-F215 HydrophobicContact CD1-CD1 4.37Å; F207-F215 HydrophobicContact CD1-CE1 4.28Å; F207-F215 HydrophobicContact CG-CD1 4.21Å; F207-F216 HydrophobicContact CE1-CZ 4.49Å
208	D	77.7	Confident	82.2	Confident	94 Å²	94	66.2 Å²	66.2	50%	0.503	34%	0.338	S	S	.	.			trans	-71.4	125.4	176	-171.2	-13	0	0	0	110.3	L210 D211 P212	D208-L210 VanDerWaalsContact C-N 3.28Å; D208-L210 PolarHBondContact O-N 3.3Å; D208-L210 WeakPolarHBondContact OD1-CB 3.36Å; D208-L210 PolarHBondContact OD1-N 3.41Å; D208-D211 CarbonylContact O-C 3.5Å; D208-D211 VanDerWaalsContact O-C 3.23Å; D208-P212 VanDerWaalsContact O-CA 3.23Å; D208-P212 WeakPolarHBondContact O-CA 3.43Å; D208-P212 WeakPolarHBondContact O-CD 3.48Å
209	L	73.4	Confident	81.8	Confident	40 Å²	40	61.3 Å²	61.3	21%	0.209	32%	0.317	C	S	.	.	S	Bend	trans	-72.3	-23	179.7	-57.4	-175.9	0	0	0	113	V194 K200 V205 F207	V194-L209 HydrophobicContact CB-CD2 4.45Å; V194-L209 HydrophobicContact CG1-CB 4.23Å; V194-L209 HydrophobicContact CG1-CD1 3.96Å; V194-L209 HydrophobicContact CG1-CD2 3.68Å; V194-L209 HydrophobicContact CG1-CG 4.15Å; V194-L209 HydrophobicContact CG2-CD2 4.36Å; K200-L209 HydrophobicContact CB-CD1 4.18Å; K200-L209 HydrophobicContact CG-CD1 3.9Å; V205-L209 HydrophobicContact CG2-CD2 3.56Å; V205-L209 HydrophobicContact CG2-CG 4.45Å; F207-L209 HydrophobicContact CD2-CD2 4.14Å; F207-L209 HydrophobicContact CE2-CD2 3.69Å; F207-L209 HydrophobicContact CZ-CD2 4.37Å; F207-L209 PolarHBondContact O-N 2.86Å
210	L	73.9	Confident	81.5	Confident	156 Å²	156	58 Å²	58	82%	0.817	30%	0.303	S	S	*	.	S	Bend	trans	-84.3	-30	178.5	-61	178.8	0	0	0	112	D208	D208-L210 VanDerWaalsContact C-N 3.28Å; D208-L210 PolarHBondContact O-N 3.3Å; D208-L210 WeakPolarHBondContact OD1-CB 3.36Å; D208-L210 PolarHBondContact OD1-N 3.41Å
211	D	80.4	Confident	81.1	Confident	79 Å²	79	55 Å²	55	42%	0.422	29%	0.292	S	S	.	.			trans	-136	70	173.7	-171.9	7	0	0	0	111.8	D208 L213 A214	D208-D211 CarbonylContact O-C 3.5Å; D208-D211 VanDerWaalsContact O-C 3.23Å; D211-L213 PolarHBondContact O-N 3.05Å; D211-L213 WeakPolarHBondContact OD1-CB 3.4Å; D211-L213 PolarHBondContact OD1-N 2.96Å; D211-A214 PolarHBondContact O-N 2.89Å; D211-A214 PolarHBondContact OD1-N 2.95Å; D211-A214 WeakPolarHBondContact OD2-CB 3.35Å
212	P	80	Confident	80.5	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.032	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-26.4	176.8	24.3	-33	0	0	0	111.4	F19 L191 L195 F207 D208 A214 F215 F216	F19-P212 HydrophobicContact CD1-CG 4.22Å; F19-P212 HydrophobicContact CE1-CG 3.91Å; L191-P212 HydrophobicContact CD1-CB 3.9Å; L191-P212 HydrophobicContact CD1-CG 4.27Å; L195-P212 HydrophobicContact CD2-CG 4.36Å; F207-P212 HydrophobicContact CD2-CB 3.88Å; F207-P212 HydrophobicContact CE2-CB 4.01Å; D208-P212 VanDerWaalsContact O-CA 3.23Å; D208-P212 WeakPolarHBondContact O-CA 3.43Å; D208-P212 WeakPolarHBondContact O-CD 3.48Å; P212-A214 VanDerWaalsContact C-N 3.34Å; P212-A214 PolarHBondContact O-N 3.02Å; P212-F215 PolarHBondContact O-N 3.05Å; P212-F216 HydrophobicContact CB-CD2 4.4Å; P212-F216 HydrophobicContact CB-CE2 4.13Å; P212-F216 WeakPolarHBondContact O-CD2 3.28Å; P212-F216 PolarHBondContact O-N 3.39Å
213	L	79.1	Confident	79.8	Confident	46 Å²	46	58.8 Å²	58.8	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-38.9	-176.5	-166.2	78.4	0	0	0	111.9	I21 F105 D211 F215 F216 K217	I21-L213 HydrophobicContact CG2-CD1 4.24Å; F105-L213 HydrophobicContact CB-CD1 3.97Å; F105-L213 HydrophobicContact CD2-CD1 3.67Å; F105-L213 HydrophobicContact CG-CD1 4.19Å; D211-L213 PolarHBondContact O-N 3.05Å; D211-L213 WeakPolarHBondContact OD1-CB 3.4Å; D211-L213 PolarHBondContact OD1-N 2.96Å; L213-F215 PolarHBondContact O-N 3.3Å; L213-F216 PolarHBondContact O-N 3.3Å; L213-K217 HydrophobicContact CD2-CD 4.38Å; L213-K217 HydrophobicContact CG-CD 4.21Å; L213-K217 HydrophobicContact CG-CG 4.44Å; L213-K217 WeakPolarHBondContact O-CB 3.31Å; L213-K217 VanDerWaalsContact O-CG 3.31Å; L213-K217 WeakPolarHBondContact O-CG 3.26Å; L213-K217 PolarHBondContact O-N 3.2Å
214	A	81.3	Confident	79.2	Confident	48 Å²	48	59.4 Å²	59.4	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-44.7	177.9	0	0	0	0	0	112.4	D211 P212 K217 D218	D211-A214 PolarHBondContact O-N 2.89Å; D211-A214 PolarHBondContact OD1-N 2.95Å; D211-A214 WeakPolarHBondContact OD2-CB 3.35Å; P212-A214 VanDerWaalsContact C-N 3.34Å; P212-A214 PolarHBondContact O-N 3.02Å; A214-K217 PolarHBondContact O-N 3.46Å; A214-D218 PolarHBondContact O-N 3.43Å; A214-D218 VanDerWaalsContact O-N 3.08Å
215	F	79.8	Confident	78.8	Confident	48 Å²	48	57.8 Å²	57.8	21%	0.211	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-48.8	177.4	173.1	-100.6	0	0	0	111.8	G206 F207 P212 L213 K217 D218 I219	G206-F215 WeakPolarHBondContact O-CE2 3.37Å; F207-F215 HydrophobicContact CB-CB 3.67Å; F207-F215 HydrophobicContact CB-CD1 3.53Å; F207-F215 HydrophobicContact CB-CD2 3.87Å; F207-F215 HydrophobicContact CB-CE1 4.01Å; F207-F215 HydrophobicContact CB-CE2 4.33Å; F207-F215 HydrophobicContact CB-CG 3.42Å; F207-F215 VanDerWaalsContact CB-CG 3.42Å; F207-F215 HydrophobicContact CB-CZ 4.37Å; F207-F215 HydrophobicContact CD1-CD1 4.37Å; F207-F215 HydrophobicContact CD1-CE1 4.28Å; F207-F215 HydrophobicContact CG-CD1 4.21Å; P212-F215 PolarHBondContact O-N 3.05Å; L213-F215 PolarHBondContact O-N 3.3Å; F215-K217 PolarHBondContact O-N 2.93Å; F215-D218 PolarHBondContact O-N 3.29Å; F215-I219 HydrophobicContact CD1-CD1 3.92Å; F215-I219 HydrophobicContact CD2-CD1 4.48Å; F215-I219 HydrophobicContact CE1-CD1 3.3Å; F215-I219 HydrophobicContact CE1-CG1 4.46Å; F215-I219 HydrophobicContact CE2-CD1 3.94Å; F215-I219 HydrophobicContact CG-CD1 4.48Å; F215-I219 HydrophobicContact CZ-CD1 3.33Å; F215-I219 HydrophobicContact CZ-CG1 4.41Å; F215-I219 PolarHBondContact O-N 3.33Å; F215-I219 VanDerWaalsContact O-N 3.09Å
216	F	78.6	Confident	78.5	Confident	7 Å²	7	65.4 Å²	65.4	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-68.9	-34.6	-178.4	-67.2	-68.3	0	0	0	112.8	F105 V107 M187 L191 F207 P212 L213 I219 L220	F105-F216 HydrophobicContact CD1-CB 3.32Å; F105-F216 HydrophobicContact CD1-CG 4.14Å; F105-F216 HydrophobicContact CD2-CB 4.49Å; F105-F216 VanDerWaalsContact CE1-C 3.48Å; F105-F216 HydrophobicContact CE1-CB 3.44Å; F105-F216 VanDerWaalsContact CE1-CB 3.44Å; F105-F216 VanDerWaalsContact CE1-O 3.28Å; F105-F216 WeakPolarHBondContact CE1-O 3.24Å; F105-F216 HydrophobicContact CG-CB 3.89Å; F105-F216 VanDerWaalsContact CZ-C 3.42Å; F105-F216 HydrophobicContact CZ-CB 4.08Å; F105-F216 VanDerWaalsContact CZ-O 3.28Å; F105-F216 WeakPolarHBondContact CZ-O 3.39Å; V107-F216 HydrophobicContact CG1-CD1 3.81Å; V107-F216 HydrophobicContact CG1-CE1 4.14Å; M187-F216 HydrophobicContact CE-CE1 3.81Å; M187-F216 HydrophobicContact CE-CZ 4.42Å; M187-F216 HydrophobicContact CG-CE1 4.41Å; M187-F216 HydrophobicContact SD-CE1 3.76Å; M187-F216 HydrophobicContact SD-CZ 4.42Å; L191-F216 HydrophobicContact CD1-CE2 4.18Å; L191-F216 HydrophobicContact CD2-CE2 3.89Å; L191-F216 HydrophobicContact CD2-CZ 4.16Å; F207-F216 HydrophobicContact CE1-CZ 4.49Å; P212-F216 HydrophobicContact CB-CD2 4.4Å; P212-F216 HydrophobicContact CB-CE2 4.13Å; P212-F216 WeakPolarHBondContact O-CD2 3.28Å; P212-F216 PolarHBondContact O-N 3.39Å; L213-F216 PolarHBondContact O-N 3.3Å; F216-I219 PolarHBondContact O-N 3.14Å; F216-L220 WeakPolarHBondContact O-CB 3.47Å; F216-L220 PolarHBondContact O-N 2.87Å
217	K	81.2	Confident	78.1	Confident	84 Å²	84	71.8 Å²	71.8	37%	0.365	36%	0.364	S	S	.	.	H	α-helix	trans	-59.2	-45.7	171.4	-81.2	176.4	175	178	0	112.2	F25 F105 L213 A214 F215 L220 H221	F25-K217 HydrophobicContact CZ-CG 4.41Å; F105-K217 HydrophobicContact CD2-CG 4.37Å; F105-K217 HydrophobicContact CE2-CB 4.37Å; F105-K217 HydrophobicContact CE2-CG 3.55Å; F105-K217 HydrophobicContact CZ-CG 4.16Å; L213-K217 HydrophobicContact CD2-CD 4.38Å; L213-K217 HydrophobicContact CG-CD 4.21Å; L213-K217 HydrophobicContact CG-CG 4.44Å; L213-K217 WeakPolarHBondContact O-CB 3.31Å; L213-K217 VanDerWaalsContact O-CG 3.31Å; L213-K217 WeakPolarHBondContact O-CG 3.26Å; L213-K217 PolarHBondContact O-N 3.2Å; A214-K217 PolarHBondContact O-N 3.46Å; F215-K217 PolarHBondContact O-N 2.93Å; K217-L220 PolarHBondContact O-N 3.47Å; K217-H221 WeakPolarHBondContact O-CB 3.42Å; K217-H221 PolarHBondContact O-N 2.95Å
218	D	80.6	Confident	78.3	Confident	70 Å²	70	74.2 Å²	74.2	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-44.3	177.7	177.8	60.9	0	0	0	111.6	A214 F215 L220 H221 K222	A214-D218 PolarHBondContact O-N 3.43Å; A214-D218 VanDerWaalsContact O-N 3.08Å; F215-D218 PolarHBondContact O-N 3.29Å; D218-L220 PolarHBondContact O-N 3.17Å; D218-H221 PolarHBondContact O-N 3.45Å; D218-K222 WeakPolarHBondContact O-CB 3.46Å; D218-K222 VanDerWaalsContact O-CG 3.31Å; D218-K222 WeakPolarHBondContact O-CG 3.38Å; D218-K222 PolarHBondContact O-N 3.02Å; D218-K222 VanDerWaalsContact OD1-CE 3.23Å; D218-K222 WeakPolarHBondContact OD1-CE 3.48Å; D218-K222 IonicContact OD1-NZ 2.72Å; D218-K222 PolarHBondContact OD1-NZ 2.8Å; D218-K222 VanDerWaalsContact OD2-CE 3.23Å; D218-K222 WeakPolarHBondContact OD2-CE 3.35Å; D218-K222 IonicContact OD2-NZ 2.98Å; D218-K222 PolarHBondContact OD2-NZ 3.36Å
219	I	79.6	Confident	78.3	Confident	34 Å²	34	73.1 Å²	73.1	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-45.9	175.1	-70	179.6	0	0	0	111.4	T162 F215 F216 K222 R223	T162-I219 HydrophobicContact CG2-CD1 4.46Å; T162-I219 HydrophobicContact CG2-CG1 4.26Å; F215-I219 HydrophobicContact CD1-CD1 3.92Å; F215-I219 HydrophobicContact CD2-CD1 4.48Å; F215-I219 HydrophobicContact CE1-CD1 3.3Å; F215-I219 HydrophobicContact CE1-CG1 4.46Å; F215-I219 HydrophobicContact CE2-CD1 3.94Å; F215-I219 HydrophobicContact CG-CD1 4.48Å; F215-I219 HydrophobicContact CZ-CD1 3.33Å; F215-I219 HydrophobicContact CZ-CG1 4.41Å; F215-I219 PolarHBondContact O-N 3.33Å; F215-I219 VanDerWaalsContact O-N 3.09Å; F216-I219 PolarHBondContact O-N 3.14Å; I219-K222 PolarHBondContact O-N 3.29Å; I219-R223 WeakPolarHBondContact O-CB 3.36Å; I219-R223 WeakPolarHBondContact O-CG 3.43Å; I219-R223 PolarHBondContact O-N 3.05Å
220	L	81	Confident	78.6	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-61.4	-48.8	179.2	-176.8	77	0	0	0	110.8	F25 L28 F105 F108 L114 F216 K217 D218 K222 R223 L224	F25-L220 HydrophobicContact CD1-CD2 3.92Å; F25-L220 HydrophobicContact CE1-CD2 3.99Å; L28-L220 HydrophobicContact CD1-CD1 4.26Å; L28-L220 HydrophobicContact CD1-CD2 3.86Å; L28-L220 HydrophobicContact CD2-CD2 4.16Å; F105-L220 HydrophobicContact CE1-CB 3.92Å; F105-L220 HydrophobicContact CE1-CD2 4.2Å; F105-L220 HydrophobicContact CE1-CG 4.46Å; F105-L220 HydrophobicContact CE2-CD2 4.11Å; F105-L220 HydrophobicContact CZ-CB 3.54Å; F105-L220 HydrophobicContact CZ-CD2 3.44Å; F105-L220 VanDerWaalsContact CZ-CD2 3.44Å; F105-L220 HydrophobicContact CZ-CG 4.01Å; F108-L220 HydrophobicContact CD2-CD1 3.96Å; F108-L220 HydrophobicContact CE2-CD1 3.51Å; F108-L220 HydrophobicContact CZ-CD1 4.33Å; L114-L220 HydrophobicContact CD1-CD1 3.81Å; F216-L220 WeakPolarHBondContact O-CB 3.47Å; F216-L220 PolarHBondContact O-N 2.87Å; K217-L220 PolarHBondContact O-N 3.47Å; D218-L220 PolarHBondContact O-N 3.17Å; L220-K222 PolarHBondContact O-N 3.31Å; L220-R223 PolarHBondContact O-N 3.31Å; L220-R223 VanDerWaalsContact O-N 3.17Å; L220-L224 HydrophobicContact CD1-CD1 4.42Å; L220-L224 HydrophobicContact CD2-CD1 4.32Å; L220-L224 HydrophobicContact CG-CD1 3.88Å; L220-L224 HydrophobicContact CG-CG 4.42Å; L220-L224 VanDerWaalsContact O-CG 3.31Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; L220-L224 PolarHBondContact O-N 3.12Å
221	H	81.1	Confident	78.9	Confident	102 Å²	102	70.2 Å²	70.2	47%	0.472	35%	0.353	S	S	.	.	H	α-helix	trans	-59.8	-45.8	177.6	-73.4	175.7	0	0	0	112.1	K217 D218 R223 L224 S225	K217-H221 WeakPolarHBondContact O-CB 3.42Å; K217-H221 PolarHBondContact O-N 2.95Å; D218-H221 PolarHBondContact O-N 3.45Å; H221-R223 PolarHBondContact O-N 3.33Å; H221-L224 PolarHBondContact O-N 3.39Å; H221-S225 WeakPolarHBondContact O-CB 3.3Å; H221-S225 PolarHBondContact O-N 3Å; H221-S225 PolarHBondContact O-OG 3.26Å
222	K	79.7	Confident	78.8	Confident	97 Å²	97	69.6 Å²	69.6	42%	0.422	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-29.2	176.7	-76.7	172.1	176.7	166.6	0	113.6	D218 I219 L220 S225 K226	D218-K222 WeakPolarHBondContact O-CB 3.46Å; D218-K222 VanDerWaalsContact O-CG 3.31Å; D218-K222 WeakPolarHBondContact O-CG 3.38Å; D218-K222 PolarHBondContact O-N 3.02Å; D218-K222 VanDerWaalsContact OD1-CE 3.23Å; D218-K222 WeakPolarHBondContact OD1-CE 3.48Å; D218-K222 IonicContact OD1-NZ 2.72Å; D218-K222 PolarHBondContact OD1-NZ 2.8Å; D218-K222 VanDerWaalsContact OD2-CE 3.23Å; D218-K222 WeakPolarHBondContact OD2-CE 3.35Å; D218-K222 IonicContact OD2-NZ 2.98Å; D218-K222 PolarHBondContact OD2-NZ 3.36Å; I219-K222 PolarHBondContact O-N 3.29Å; L220-K222 PolarHBondContact O-N 3.31Å; K222-S225 PolarHBondContact O-OG 3.21Å; K222-K226 WeakPolarHBondContact O-CD 3.38Å; K222-K226 WeakPolarHBondContact O-CG 3.5Å
223	R	78.3	Confident	78.7	Confident	102 Å²	102	73.9 Å²	73.9	39%	0.385	37%	0.37	S	S	.	.	H	α-helix	trans	-77.8	-47.3	175.5	-78.5	-75.9	-168.2	-168.3	-0.8	111.1	F108 G160 I219 L220 H221 S225 K226	F108-R223 HydrophobicContact CD2-CB 3.53Å; F108-R223 HydrophobicContact CD2-CG 3.76Å; F108-R223 HydrophobicContact CE2-CB 3.46Å; F108-R223 VanDerWaalsContact CE2-CB 3.46Å; F108-R223 HydrophobicContact CE2-CG 4.23Å; F108-R223 HydrophobicContact CG-CB 4.47Å; F108-R223 HydrophobicContact CG-CG 4.45Å; F108-R223 HydrophobicContact CZ-CB 4.38Å; G160-R223 PolarHBondContact O-NH2 3.15Å; I219-R223 WeakPolarHBondContact O-CB 3.36Å; I219-R223 WeakPolarHBondContact O-CG 3.43Å; I219-R223 PolarHBondContact O-N 3.05Å; L220-R223 PolarHBondContact O-N 3.31Å; L220-R223 VanDerWaalsContact O-N 3.17Å; H221-R223 PolarHBondContact O-N 3.33Å; R223-S225 VanDerWaalsContact C-N 3.28Å; R223-S225 PolarHBondContact O-N 3.11Å; R223-K226 PolarHBondContact O-N 3.3Å; R223-K226 VanDerWaalsContact O-N 3.12Å
224	L	79.2	Confident	78.7	Confident	39 Å²	39	75.9 Å²	75.9	20%	0.204	38%	0.379	C	S	.	.	H	α-helix	trans	-61.6	-36.2	178.4	-69.1	169.4	0	0	0	112.1	L28 L31 F108 L220 H221 K226 L227	L28-L224 HydrophobicContact CD2-CD1 3.55Å; L31-L224 HydrophobicContact CD1-CD2 3.86Å; F108-L224 HydrophobicContact CE2-CD2 4.43Å; F108-L224 HydrophobicContact CE2-CG 4.41Å; F108-L224 HydrophobicContact CZ-CD2 4.05Å; L220-L224 HydrophobicContact CD1-CD1 4.42Å; L220-L224 HydrophobicContact CD2-CD1 4.32Å; L220-L224 HydrophobicContact CG-CD1 3.88Å; L220-L224 HydrophobicContact CG-CG 4.42Å; L220-L224 VanDerWaalsContact O-CG 3.31Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; L220-L224 PolarHBondContact O-N 3.12Å; H221-L224 PolarHBondContact O-N 3.39Å; L224-K226 PolarHBondContact O-N 2.7Å; L224-K226 VanDerWaalsContact O-N 3.15Å; L224-L227 HydrophobicContact CD2-CD1 4.27Å; L224-L227 PolarHBondContact O-N 3.37Å
225	S	77.3	Confident	78.5	Confident	95 Å²	95	78.1 Å²	78.1	66%	0.664	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.2	177.6	74.5	0	0	0	0	114.5	H221 K222 R223	H221-S225 WeakPolarHBondContact O-CB 3.3Å; H221-S225 PolarHBondContact O-N 3Å; H221-S225 PolarHBondContact O-OG 3.26Å; K222-S225 PolarHBondContact O-OG 3.21Å; R223-S225 VanDerWaalsContact C-N 3.28Å; R223-S225 PolarHBondContact O-N 3.11Å
226	K	73.9	Confident	78.3	Confident	170 Å²	170	80.6 Å²	80.6	74%	0.739	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-5	179.5	-67.9	178.7	-178.6	-176.3	0	112.9	K222 R223 L224	K222-K226 WeakPolarHBondContact O-CD 3.38Å; K222-K226 WeakPolarHBondContact O-CG 3.5Å; R223-K226 PolarHBondContact O-N 3.3Å; R223-K226 VanDerWaalsContact O-N 3.12Å; L224-K226 PolarHBondContact O-N 2.7Å; L224-K226 VanDerWaalsContact O-N 3.15Å
227	L	69.8	Low	78.3	Confident	165 Å²	165	87.3 Å²	87.3	86%	0.864	43%	0.425	S	S	*	.			trans	-87.9	0	172.9	-67	173.2	0	0	0	109.4	L31 F108 L224	L31-L227 HydrophobicContact CD2-CD1 3.73Å; F108-L227 HydrophobicContact CZ-CD1 4.33Å; L224-L227 HydrophobicContact CD2-CD1 4.27Å; L224-L227 PolarHBondContact O-N 3.37Å

Retrieved 227 of 227 residues in 110.9 ms (Link to these results)

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