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Peptide-methionine (R)-S-oxide reductase

Methionine-sulfoxide reductase that specifically reduces methionine (R)-sulfoxide back to methionine. While in many cases methionine oxidation is the result of random oxidation following oxidative stress, methionine oxidation is also a post-translational modification that takes place on specific residues.

AlphaFold DB , UniProt , Accession Q6BC92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene msrB, Length 175 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	70.4	Confident	78.8	Confident	141 Å²	141	97.4 Å²	97.4	70%	0.695	50%	0.503	S	S	*	.				0	127.5	0	-163.6	147.9	-96.1	0	0	107.8	Q5 Q9 L118	M1-Q5 HydrophobicContact CE-CG 4.14Å; M1-Q5 HydrophobicContact CG-CB 4.21Å; M1-Q5 HydrophobicContact CG-CG 4.22Å; M1-Q9 VanDerWaalsContact CE-OE1 3.29Å; M1-Q9 PolarHBondContact SD-OE1 3.31Å; M1-L118 HydrophobicContact SD-CD1 4.32Å
2	N	82.2	Confident	79.4	Confident	101 Å²	101	97.6 Å²	97.6	54%	0.54	51%	0.512	S	S	.	.			trans	-93.5	164.7	176.9	67.8	29.1	0	0	0	110.5	L4 Q5 L6	N2-L4 PolarHBondContact O-N 2.91Å; N2-L4 PolarHBondContact OD1-N 3.25Å; N2-Q5 PolarHBondContact O-N 2.9Å; N2-Q5 VanDerWaalsContact O-N 3.15Å; N2-Q5 VanDerWaalsContact OD1-CB 3.29Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.1Å; N2-Q5 PolarHBondContact OD1-N 3.39Å; N2-L6 PolarHBondContact O-N 3.28Å; N2-L6 VanDerWaalsContact O-N 3.1Å
3	V	79.7	Confident	80.1	Confident	119 Å²	119	91.3 Å²	91.3	72%	0.721	48%	0.479	S	S	*	.	H	α-helix	trans	-56.4	-40.4	-176.6	178.2	0	0	0	0	111.7	Q5 L6 V7	V3-Q5 VanDerWaalsContact C-N 3.34Å; V3-Q5 PolarHBondContact O-N 3.43Å; V3-L6 WeakPolarHBondContact O-CB 3.35Å; V3-L6 PolarHBondContact O-N 3.11Å; V3-V7 WeakPolarHBondContact O-CG2 3.42Å; V3-V7 PolarHBondContact O-N 3.47Å
4	L	77.7	Confident	81	Confident	118 Å²	118	86.7 Å²	86.7	62%	0.618	46%	0.458	S	S	*	.	H	α-helix	trans	-64.4	-39.4	-179.1	-147.7	87.2	0	0	0	112.3	N2 V7 K8	N2-L4 PolarHBondContact O-N 2.91Å; N2-L4 PolarHBondContact OD1-N 3.25Å; L4-V7 PolarHBondContact O-N 3.34Å; L4-K8 WeakPolarHBondContact O-CG 3.32Å; L4-K8 PolarHBondContact O-N 2.87Å; L4-K8 VanDerWaalsContact O-N 3.12Å
5	Q	78.4	Confident	81.8	Confident	93 Å²	93	88.1 Å²	88.1	44%	0.435	47%	0.474	S	S	.	.	H	α-helix	trans	-68.6	-37.6	177.4	-170.5	174.2	10.4	0	0	111.3	M1 N2 V3 K8 Q9	M1-Q5 HydrophobicContact CE-CG 4.14Å; M1-Q5 HydrophobicContact CG-CB 4.21Å; M1-Q5 HydrophobicContact CG-CG 4.22Å; N2-Q5 PolarHBondContact O-N 2.9Å; N2-Q5 VanDerWaalsContact O-N 3.15Å; N2-Q5 VanDerWaalsContact OD1-CB 3.29Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.1Å; N2-Q5 PolarHBondContact OD1-N 3.39Å; V3-Q5 VanDerWaalsContact C-N 3.34Å; V3-Q5 PolarHBondContact O-N 3.43Å; Q5-K8 PolarHBondContact O-N 2.88Å; Q5-Q9 WeakPolarHBondContact O-CB 3.2Å; Q5-Q9 WeakPolarHBondContact O-CG 3.41Å; Q5-Q9 PolarHBondContact O-N 3.22Å
6	L	75.7	Confident	82.6	Confident	63 Å²	63	89.9 Å²	89.9	33%	0.33	47%	0.472	S	S	.	.	H	α-helix	trans	-63.5	-44.2	174.9	-178.1	65.3	0	0	0	111.7	N2 V3 Q9 M10 L118	N2-L6 PolarHBondContact O-N 3.28Å; N2-L6 VanDerWaalsContact O-N 3.1Å; V3-L6 WeakPolarHBondContact O-CB 3.35Å; V3-L6 PolarHBondContact O-N 3.11Å; L6-Q9 WeakPolarHBondContact O-CB 3.49Å; L6-Q9 PolarHBondContact O-N 3.1Å; L6-M10 WeakPolarHBondContact O-CG 3.37Å; L6-M10 PolarHBondContact O-N 2.92Å; L6-L118 HydrophobicContact CD1-CD1 3.4Å; L6-L118 VanDerWaalsContact CD1-CD1 3.4Å
7	V	79.2	Confident	83.3	Confident	74 Å²	74	85.1 Å²	85.1	45%	0.448	45%	0.447	S	S	.	.	H	α-helix	trans	-60.6	-48.8	176.5	172.8	0	0	0	0	110.8	V3 L4 Q9 M10 D11	V3-V7 WeakPolarHBondContact O-CG2 3.42Å; V3-V7 PolarHBondContact O-N 3.47Å; L4-V7 PolarHBondContact O-N 3.34Å; V7-Q9 PolarHBondContact O-N 3.03Å; V7-M10 WeakPolarHBondContact O-CB 3.36Å; V7-M10 PolarHBondContact O-N 3.41Å; V7-D11 PolarHBondContact O-N 3.31Å
8	K	82.4	Confident	83.7	Confident	136 Å²	136	85.1 Å²	85.1	59%	0.591	44%	0.444	S	S	*	.	H	α-helix	trans	-58.9	-33.4	176.9	-72.8	178.9	178.9	-172.9	0	113.2	L4 Q5	L4-K8 WeakPolarHBondContact O-CG 3.32Å; L4-K8 PolarHBondContact O-N 2.87Å; L4-K8 VanDerWaalsContact O-N 3.12Å; Q5-K8 PolarHBondContact O-N 2.88Å
9	Q	78.5	Confident	84.2	Confident	35 Å²	35	82.7 Å²	82.7	16%	0.164	44%	0.438	C	S	.	.	H	α-helix	trans	-70.6	-43.7	174.2	-90.2	-176.4	-30.9	0	0	111.2	M1 Q5 L6 V7 D11 T12 V123	M1-Q9 VanDerWaalsContact CE-OE1 3.29Å; M1-Q9 PolarHBondContact SD-OE1 3.31Å; Q5-Q9 WeakPolarHBondContact O-CB 3.2Å; Q5-Q9 WeakPolarHBondContact O-CG 3.41Å; Q5-Q9 PolarHBondContact O-N 3.22Å; L6-Q9 WeakPolarHBondContact O-CB 3.49Å; L6-Q9 PolarHBondContact O-N 3.1Å; V7-Q9 PolarHBondContact O-N 3.03Å; Q9-D11 PolarHBondContact O-N 3.46Å; Q9-T12 WeakPolarHBondContact O-CB 3.38Å; Q9-T12 PolarHBondContact O-N 3.21Å; Q9-T12 PolarHBondContact O-OG1 3.33Å; Q9-V123 HydrophobicContact CB-CG2 3.52Å; Q9-V123 HydrophobicContact CG-CG2 3.94Å; Q9-V123 WeakPolarHBondContact O-CG2 3.49Å
10	M	79	Confident	84.6	Confident	80 Å²	80	79.6 Å²	79.6	39%	0.394	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-33	175	-69.7	-178.1	67	0	0	112.7	L6 V7 T12 L13	L6-M10 WeakPolarHBondContact O-CG 3.37Å; L6-M10 PolarHBondContact O-N 2.92Å; V7-M10 WeakPolarHBondContact O-CB 3.36Å; V7-M10 PolarHBondContact O-N 3.41Å; M10-T12 PolarHBondContact O-N 3.37Å; M10-T12 VanDerWaalsContact O-N 3.17Å; M10-L13 WeakPolarHBondContact O-CB 3.35Å; M10-L13 PolarHBondContact O-N 3.11Å
11	D	83.3	Confident	84.8	Confident	111 Å²	111	76.7 Å²	76.7	59%	0.594	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.4	175	-64.6	-28.3	0	0	0	113.2	V7 Q9 L13	V7-D11 PolarHBondContact O-N 3.31Å; Q9-D11 PolarHBondContact O-N 3.46Å; D11-L13 VanDerWaalsContact C-N 3.31Å
12	T	86.1	Confident	85.6	Confident	100 Å²	100	77.8 Å²	77.8	61%	0.613	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.4	174.2	76	0	0	0	0	113.1	Q9 M10	Q9-T12 WeakPolarHBondContact O-CB 3.38Å; Q9-T12 PolarHBondContact O-N 3.21Å; Q9-T12 PolarHBondContact O-OG1 3.33Å; M10-T12 PolarHBondContact O-N 3.37Å; M10-T12 VanDerWaalsContact O-N 3.17Å
13	L	89.3	Confident	85.7	Confident	16 Å²	16	78.8 Å²	78.8	8%	0.084	41%	0.408	C	S	.	.	S	Bend	trans	-71.4	140.7	173.8	-66.5	176.1	0	0	0	109.9	M10 D11 I17 Q18 L21 I116 V123 V125	M10-L13 WeakPolarHBondContact O-CB 3.35Å; M10-L13 PolarHBondContact O-N 3.11Å; D11-L13 VanDerWaalsContact C-N 3.31Å; L13-I17 HydrophobicContact CB-CB 4.44Å; L13-I17 HydrophobicContact CB-CG2 4.32Å; L13-I17 HydrophobicContact CD1-CG2 4.16Å; L13-I17 HydrophobicContact CD2-CG2 4.02Å; L13-I17 HydrophobicContact CG-CG2 4.41Å; L13-Q18 HydrophobicContact CB-CG 3.96Å; L13-Q18 PolarHBondContact O-NE2 3.26Å; L13-L21 HydrophobicContact CD1-CD1 3.89Å; L13-I116 HydrophobicContact CD1-CD1 3.64Å; L13-V123 HydrophobicContact CD1-CG1 3.99Å; L13-V123 HydrophobicContact CD2-CB 4.26Å; L13-V123 HydrophobicContact CD2-CG1 3.8Å; L13-V123 HydrophobicContact CG-CG1 3.83Å; L13-V125 HydrophobicContact CD1-CG2 4.38Å; L13-V125 HydrophobicContact CD2-CG2 4.49Å
14	S	92.6	Very high	85.8	Confident	27 Å²	27	74.2 Å²	74.2	19%	0.189	38%	0.382	C	S	.	.			trans	-66.2	156.1	177.2	78.1	0	0	0	0	112	R16 I17 Q18 D141	S14-R16 PolarHBondContact O-N 3.4Å; S14-R16 VanDerWaalsContact O-N 3.08Å; S14-I17 PolarHBondContact O-N 2.79Å; S14-I17 PolarHBondContact OG-N 3.1Å; S14-Q18 WeakPolarHBondContact O-CG 3.48Å; S14-Q18 PolarHBondContact O-N 3.15Å; S14-D141 WeakPolarHBondContact CB-OD2 3.49Å; S14-D141 VanDerWaalsContact OG-CG 3.26Å; S14-D141 PolarHBondContact OG-OD2 3.31Å
15	P	92.4	Very high	85.3	Confident	108 Å²	108	72.9 Å²	72.9	70%	0.701	38%	0.375	S	S	*	.	H	α-helix	trans	-54.3	-31.8	177.5	-27.9	35.5	0	0	0	113.6	A19	P15-A19 VanDerWaalsContact O-CB 3.31Å; P15-A19 WeakPolarHBondContact O-CB 2.98Å; P15-A19 PolarHBondContact O-N 3.04Å
16	R	94.2	Very high	84.3	Confident	117 Å²	117	72.7 Å²	72.7	44%	0.442	38%	0.384	S	S	.	.	H	α-helix	trans	-66.1	-46.1	177	-177.3	179	-69.9	140.3	3.6	111.5	S14 A19 L20 D141 T147 G148 L149	S14-R16 PolarHBondContact O-N 3.4Å; S14-R16 VanDerWaalsContact O-N 3.08Å; R16-A19 PolarHBondContact O-N 3.09Å; R16-L20 WeakPolarHBondContact O-CB 3.42Å; R16-L20 PolarHBondContact O-N 3.18Å; R16-D141 HydrophobicContact CB-CB 4.37Å; R16-D141 PolarHBondContact NH1-O 3.42Å; R16-T147 WeakPolarHBondContact CD-O 3.37Å; R16-T147 PolarHBondContact NE-O 2.65Å; R16-G148 PolarHBondContact NH1-O 2.88Å; R16-L149 HydrophobicContact CG-CD2 3.9Å
17	I	94.5	Very high	83.5	Confident	7 Å²	7	74.5 Å²	74.5	4%	0.036	39%	0.393	C	S	.	.	H	α-helix	trans	-68.5	-39.3	178.1	-63.2	-60.9	0	0	0	111.1	L13 S14 A19 L20 L21 V125 V139 D141 L149	L13-I17 HydrophobicContact CB-CB 4.44Å; L13-I17 HydrophobicContact CB-CG2 4.32Å; L13-I17 HydrophobicContact CD1-CG2 4.16Å; L13-I17 HydrophobicContact CD2-CG2 4.02Å; L13-I17 HydrophobicContact CG-CG2 4.41Å; S14-I17 PolarHBondContact O-N 2.79Å; S14-I17 PolarHBondContact OG-N 3.1Å; I17-A19 PolarHBondContact O-N 3.42Å; I17-L20 PolarHBondContact O-N 3.45Å; I17-L21 HydrophobicContact CG2-CD1 4.27Å; I17-L21 WeakPolarHBondContact O-CG 3.22Å; I17-L21 PolarHBondContact O-N 3.34Å; I17-V125 HydrophobicContact CG2-CB 4.34Å; I17-V125 HydrophobicContact CG2-CG2 3.35Å; I17-V139 HydrophobicContact CD1-CG2 4.49Å; I17-D141 HydrophobicContact CD1-CB 4.14Å; I17-D141 HydrophobicContact CG1-CB 4Å; I17-L149 HydrophobicContact CD1-CD2 3.97Å
18	Q	91.9	Very high	82.5	Confident	85 Å²	85	76.1 Å²	76.1	40%	0.397	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-44.4	174.8	-65.9	-178.1	26.7	0	0	111.8	L13 S14 L21 K22	L13-Q18 HydrophobicContact CB-CG 3.96Å; L13-Q18 PolarHBondContact O-NE2 3.26Å; S14-Q18 WeakPolarHBondContact O-CG 3.48Å; S14-Q18 PolarHBondContact O-N 3.15Å; Q18-L21 PolarHBondContact O-N 3.44Å; Q18-K22 PolarHBondContact O-N 3.45Å
19	A	91.9	Very high	81	Confident	41 Å²	41	74.5 Å²	74.5	34%	0.339	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-45.7	175.7	0	0	0	0	0	111.7	P15 R16 I17 L21 K22 E23	P15-A19 VanDerWaalsContact O-CB 3.31Å; P15-A19 WeakPolarHBondContact O-CB 2.98Å; P15-A19 PolarHBondContact O-N 3.04Å; R16-A19 PolarHBondContact O-N 3.09Å; I17-A19 PolarHBondContact O-N 3.42Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 3.48Å; A19-K22 WeakPolarHBondContact O-CB 3.45Å; A19-K22 PolarHBondContact O-N 3.28Å; A19-K22 VanDerWaalsContact O-N 3.11Å; A19-E23 WeakPolarHBondContact O-CG 3.41Å; A19-E23 PolarHBondContact O-N 3.47Å
20	L	92.1	Very high	79.7	Confident	20 Å²	20	82 Å²	82	11%	0.105	43%	0.428	C	S	.	.	H	α-helix	trans	-58	-43.8	177.8	178.9	65	0	0	0	112.6	R16 I17 E23 S24 L114 V139 L149	R16-L20 WeakPolarHBondContact O-CB 3.42Å; R16-L20 PolarHBondContact O-N 3.18Å; I17-L20 PolarHBondContact O-N 3.45Å; L20-E23 PolarHBondContact O-N 3.48Å; L20-S24 WeakPolarHBondContact O-CB 3.29Å; L20-S24 PolarHBondContact O-N 3.02Å; L20-S24 PolarHBondContact O-OG 3.04Å; L20-L114 HydrophobicContact CD1-CD1 3.9Å; L20-L114 HydrophobicContact CD2-CD1 3.56Å; L20-L114 HydrophobicContact CG-CD1 3.44Å; L20-L114 VanDerWaalsContact CG-CD1 3.44Å; L20-V139 HydrophobicContact CD2-CG1 4.05Å; L20-V139 HydrophobicContact CD2-CG2 4.04Å; L20-L149 HydrophobicContact CD1-CD1 4.13Å; L20-L149 HydrophobicContact CD2-CD1 3.9Å; L20-L149 HydrophobicContact CD2-CD2 4.02Å
21	L	89.4	Confident	78.5	Confident	19 Å²	19	83.2 Å²	83.2	10%	0.099	43%	0.433	C	S	.	.	H	α-helix	trans	-64	-41.1	175.5	-74.4	169.7	0	0	0	112	L13 I17 Q18 A19 S24 N25 L114 I116 V125	L13-L21 HydrophobicContact CD1-CD1 3.89Å; I17-L21 HydrophobicContact CG2-CD1 4.27Å; I17-L21 WeakPolarHBondContact O-CG 3.22Å; I17-L21 PolarHBondContact O-N 3.34Å; Q18-L21 PolarHBondContact O-N 3.44Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 3.48Å; L21-S24 PolarHBondContact O-N 2.8Å; L21-N25 WeakPolarHBondContact O-CB 3.16Å; L21-N25 PolarHBondContact O-N 3.37Å; L21-L114 HydrophobicContact CD2-CB 4.02Å; L21-I116 HydrophobicContact CD1-CD1 3.46Å; L21-I116 VanDerWaalsContact CD1-CD1 3.46Å; L21-I116 HydrophobicContact CD2-CD1 4.49Å; L21-V125 HydrophobicContact CD1-CG2 3.86Å; L21-V125 HydrophobicContact CD2-CG1 3.78Å; L21-V125 HydrophobicContact CD2-CG2 4.11Å; L21-V125 HydrophobicContact CG-CG1 4.49Å; L21-V125 HydrophobicContact CG-CG2 4.16Å
22	K	87.2	Confident	77	Confident	164 Å²	164	86.2 Å²	86.2	71%	0.713	45%	0.449	S	S	*	.	H	α-helix	trans	-64.7	-43.5	178	-174.2	179.7	178.4	-177.8	0	111.7	Q18 A19 N25 C26	Q18-K22 PolarHBondContact O-N 3.45Å; A19-K22 WeakPolarHBondContact O-CB 3.45Å; A19-K22 PolarHBondContact O-N 3.28Å; A19-K22 VanDerWaalsContact O-N 3.11Å; K22-N25 PolarHBondContact O-N 2.89Å; K22-C26 PolarHBondContact O-N 3.23Å
23	E	85.3	Confident	75.4	Confident	121 Å²	121	85.3 Å²	85.3	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-63.6	-45	176.5	-73	172.6	-169.1	0	0	111.4	A19 L20 N25 C26 L27	A19-E23 WeakPolarHBondContact O-CG 3.41Å; A19-E23 PolarHBondContact O-N 3.47Å; L20-E23 PolarHBondContact O-N 3.48Å; E23-N25 VanDerWaalsContact C-N 3.3Å; E23-N25 PolarHBondContact O-N 2.73Å; E23-C26 WeakPolarHBondContact O-CB 3.43Å; E23-C26 PolarHBondContact O-N 2.85Å; E23-C26 VanDerWaalsContact O-N 3.08Å; E23-L27 PolarHBondContact O-N 2.69Å
24	S	80.3	Confident	74	Confident	24 Å²	24	91.3 Å²	91.3	17%	0.168	48%	0.475	C	S	.	.	H	α-helix	trans	-61.1	-38.2	177.5	-62.2	0	0	0	0	112.3	L20 L21 R28 L114	L20-S24 WeakPolarHBondContact O-CB 3.29Å; L20-S24 PolarHBondContact O-N 3.02Å; L20-S24 PolarHBondContact O-OG 3.04Å; L21-S24 PolarHBondContact O-N 2.8Å; S24-R28 WeakPolarHBondContact O-CG 3.32Å; S24-R28 PolarHBondContact O-N 2.9Å; S24-L114 WeakPolarHBondContact OG-CD1 3.42Å
25	N	67.9	Low	72.7	Confident	89 Å²	89	91.7 Å²	91.7	48%	0.476	48%	0.475	S	S	.	.	H	α-helix	trans	-71	-33.2	174.3	-75.7	-17.7	0	0	0	112.8	L21 K22 E23 R28	L21-N25 WeakPolarHBondContact O-CB 3.16Å; L21-N25 PolarHBondContact O-N 3.37Å; K22-N25 PolarHBondContact O-N 2.89Å; E23-N25 VanDerWaalsContact C-N 3.3Å; E23-N25 PolarHBondContact O-N 2.73Å; N25-R28 WeakPolarHBondContact O-CB 3.47Å; N25-R28 PolarHBondContact O-N 2.87Å
26	C	58.2	Low	72.1	Confident	90 Å²	90	91.9 Å²	91.9	61%	0.608	47%	0.47	S	S	*	.	H	α-helix	trans	-67.1	-38.5	177.2	-157.5	0	0	0	0	111.5	K22 E23 R28 C29	K22-C26 PolarHBondContact O-N 3.23Å; E23-C26 WeakPolarHBondContact O-CB 3.43Å; E23-C26 PolarHBondContact O-N 2.85Å; E23-C26 VanDerWaalsContact O-N 3.08Å; C26-R28 PolarHBondContact O-N 3.49Å; C26-C29 PolarHBondContact O-N 2.63Å; C26-C29 PolarHBondContact O-SG 3.3Å
27	L	58.8	Low	71.7	Confident	101 Å²	101	88 Å²	88	53%	0.529	46%	0.461	S	S	.	.	H	α-helix	trans	-64	-24.3	173.6	-75.3	150.4	0	0	0	112.8	E23 C29 C109	E23-L27 PolarHBondContact O-N 2.69Å; L27-C29 PolarHBondContact O-N 3.49Å; L27-C109 HydrophobicContact CD1-CB 4.37Å
28	R	58.2	Low	71.5	Confident	107 Å²	107	92 Å²	92	40%	0.404	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.5	-178.3	-74.8	173.9	70	-167	4.4	115.2	S24 N25 C26 K30 E31	S24-R28 WeakPolarHBondContact O-CG 3.32Å; S24-R28 PolarHBondContact O-N 2.9Å; N25-R28 WeakPolarHBondContact O-CB 3.47Å; N25-R28 PolarHBondContact O-N 2.87Å; C26-R28 PolarHBondContact O-N 3.49Å; R28-K30 PolarHBondContact O-N 3.03Å; R28-E31 PolarHBondContact O-N 3.36Å
29	C	50.6	Low	71.6	Confident	103 Å²	103	91.3 Å²	91.3	70%	0.696	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	5.4	-172.5	64	0	0	0	0	116.3	C26 L27	C26-C29 PolarHBondContact O-N 2.63Å; C26-C29 PolarHBondContact O-SG 3.3Å; L27-C29 PolarHBondContact O-N 3.49Å
30	K	50	Low	71.8	Confident	192 Å²	192	92.8 Å²	92.8	84%	0.835	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-1.5	178.3	-67.9	-161.6	175.2	-175.4	0	116.5	R28	R28-K30 PolarHBondContact O-N 3.03Å
31	E	53.6	Low	72	Confident	106 Å²	106	97.4 Å²	97.4	50%	0.495	51%	0.507	S	S	.	.			trans	-141.1	82.9	-176.7	-71.3	175.5	-175.5	0	0	111.1	R28 T33	R28-E31 PolarHBondContact O-N 3.36Å; E31-T33 HydrophobicContact CB-CG2 4.31Å; E31-T33 PolarHBondContact O-N 3.21Å
32	D	51.6	Low	72.4	Confident	173 Å²	173	102.3 Å²	102.3	93%	0.925	53%	0.534	S	S	*	.			trans	-71.1	44.6	161	-71.4	-32.2	0	0	0	110.7	N34	D32-N34 PolarHBondContact O-N 3.31Å
33	T	53.4	Low	72.8	Confident	81 Å²	81	97.1 Å²	97.1	50%	0.497	52%	0.518	S	S	.	.			trans	-70.9	121.9	168.4	56.5	0	0	0	0	106.7	E31 N35	E31-T33 HydrophobicContact CB-CG2 4.31Å; E31-T33 PolarHBondContact O-N 3.21Å; T33-N35 PolarHBondContact O-N 2.95Å
34	N	59.2	Low	73.4	Confident	142 Å²	142	91.4 Å²	91.4	76%	0.759	49%	0.491	S	S	*	.			trans	-40.9	111.1	164.9	-108.7	-24	0	0	0	107.5	D32 D36	D32-N34 PolarHBondContact O-N 3.31Å; N34-D36 PolarHBondContact O-N 3.49Å
35	N	66.1	Low	74.2	Confident	35 Å²	35	95.9 Å²	95.9	19%	0.187	51%	0.507	C	S	.	.			trans	-79.7	29.2	-172.4	-126.4	21.1	0	0	0	109.8	T33 I113 K130 N133	T33-N35 PolarHBondContact O-N 2.95Å; N35-I113 WeakPolarHBondContact ND2-CD1 3.33Å; N35-I113 WeakPolarHBondContact ND2-CG1 3.49Å; N35-K130 PolarHBondContact OD1-NZ 3.01Å; N35-N133 WeakPolarHBondContact O-CB 3.46Å; N35-N133 PolarHBondContact O-ND2 2.83Å; N35-N133 VanDerWaalsContact O-ND2 3.1Å
36	D	79.2	Confident	75.6	Confident	113 Å²	113	96 Å²	96	60%	0.604	52%	0.521	S	S	*	.			trans	-78.6	146.4	178.2	-68.5	-35.9	0	0	0	108.9	N34	N34-D36 PolarHBondContact O-N 3.49Å
37	S	86.8	Confident	77.5	Confident	34 Å²	34	97 Å²	97	24%	0.238	51%	0.512	C	S	.	.			trans	-58.6	130.5	173.9	179	0	0	0	0	109.4	F39 C132	S37-F39 PolarHBondContact O-N 3.47Å; S37-F39 VanDerWaalsContact O-N 3.11Å; S37-F39 PolarHBondContact OG-N 3.43Å; S37-F39 PolarHBondContact OG-O 3.25Å; S37-C132 WeakPolarHBondContact CA-O 3.23Å; S37-C132 WeakPolarHBondContact CB-O 3.28Å; S37-C132 PolarHBondContact OG-O 3.01Å
38	P	90.6	Very high	79.3	Confident	93 Å²	93	92.9 Å²	92.9	60%	0.604	49%	0.49	S	S	*	.	S	Bend	trans	-70.2	-3.8	173.1	31.1	-35	0	0	0	112.1
39	F	93.9	Very high	81.2	Confident	70 Å²	70	90.4 Å²	90.4	31%	0.307	49%	0.489	S	S	.	.	S	Bend	trans	-105.1	134.3	-179.3	-51.3	-75.4	0	0	0	111	S37 L44 V82 C83 C132	S37-F39 PolarHBondContact O-N 3.47Å; S37-F39 VanDerWaalsContact O-N 3.11Å; S37-F39 PolarHBondContact OG-N 3.43Å; S37-F39 PolarHBondContact OG-O 3.25Å; F39-L44 HydrophobicContact CB-CD1 4.12Å; F39-L44 HydrophobicContact CB-CD2 3.65Å; F39-L44 HydrophobicContact CB-CG 3.82Å; F39-L44 HydrophobicContact CD2-CD2 4.44Å; F39-L44 HydrophobicContact CG-CD2 4.09Å; F39-V82 HydrophobicContact CD2-CG1 3.85Å; F39-V82 HydrophobicContact CE2-CG1 4.13Å; F39-C83 HydrophobicContact CE2-CB 3.77Å; F39-C83 HydrophobicContact CZ-CB 4.18Å; F39-C132 HydrophobicContact CD2-CB 4.12Å; F39-C132 HydrophobicContact CE2-CB 3.95Å
40	S	95.4	Very high	83.5	Confident	71 Å²	71	92 Å²	92	50%	0.497	49%	0.491	S	S	.	.			trans	-70	149.5	172.4	72.3	0	0	0	0	111.4	D42 S43 L44	S40-D42 PolarHBondContact O-N 3.13Å; S40-S43 PolarHBondContact O-N 2.86Å; S40-S43 WeakPolarHBondContact OG-CB 3.48Å; S40-S43 PolarHBondContact OG-N 3.35Å; S40-L44 WeakPolarHBondContact O-CG 3.37Å; S40-L44 PolarHBondContact O-N 3.12Å
41	R	96.1	Very high	85.8	Confident	118 Å²	118	85.9 Å²	85.9	45%	0.445	47%	0.467	S	S	.	.	H	α-helix	trans	-58.9	-36.5	178.3	-68.7	-179.3	68	84.4	-3.8	112.3	L44 K45 F53 Q57 N58	R41-L44 PolarHBondContact O-N 3.37Å; R41-K45 WeakPolarHBondContact O-CG 3.4Å; R41-K45 PolarHBondContact O-N 3Å; R41-F53 HydrophobicContact CB-CZ 4.38Å; R41-F53 WeakPolarHBondContact O-CE2 3.47Å; R41-Q57 PolarHBondContact NH1-O 3.02Å; R41-N58 PolarHBondContact NH2-OD1 3.12Å
42	D	97.1	Very high	87.9	Confident	122 Å²	122	82.7 Å²	82.7	65%	0.652	45%	0.452	S	S	*	.	H	α-helix	trans	-68.4	-41.2	178.9	-63.5	-29.6	0	0	0	112.1	S40 L44 K45 A46	S40-D42 PolarHBondContact O-N 3.13Å; D42-L44 VanDerWaalsContact C-N 3.28Å; D42-L44 PolarHBondContact O-N 3.08Å; D42-K45 PolarHBondContact O-N 3.48Å; D42-A46 PolarHBondContact O-N 2.84Å; D42-A46 VanDerWaalsContact O-N 3.11Å
43	S	96.9	Very high	90.1	Very high	55 Å²	55	75.1 Å²	75.1	39%	0.385	41%	0.411	S	S	.	.	H	α-helix	trans	-60.6	-40.4	172.6	174.2	0	0	0	0	111.5	S40 A46 R47	S40-S43 PolarHBondContact O-N 2.86Å; S40-S43 WeakPolarHBondContact OG-CB 3.48Å; S40-S43 PolarHBondContact OG-N 3.35Å; S43-A46 PolarHBondContact O-N 2.89Å; S43-R47 WeakPolarHBondContact O-CG 3.29Å; S43-R47 PolarHBondContact O-N 3.05Å
44	L	97.7	Very high	92.3	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-66.5	-43.3	177.5	-66	180	0	0	0	112.2	F39 S40 R41 D42 A46 R47 L48 F53 Q57 V82	F39-L44 HydrophobicContact CB-CD1 4.12Å; F39-L44 HydrophobicContact CB-CD2 3.65Å; F39-L44 HydrophobicContact CB-CG 3.82Å; F39-L44 HydrophobicContact CD2-CD2 4.44Å; F39-L44 HydrophobicContact CG-CD2 4.09Å; S40-L44 WeakPolarHBondContact O-CG 3.37Å; S40-L44 PolarHBondContact O-N 3.12Å; R41-L44 PolarHBondContact O-N 3.37Å; D42-L44 VanDerWaalsContact C-N 3.28Å; D42-L44 PolarHBondContact O-N 3.08Å; L44-A46 PolarHBondContact O-N 3.41Å; L44-R47 PolarHBondContact O-N 3.22Å; L44-L48 HydrophobicContact CB-CD1 4.13Å; L44-L48 HydrophobicContact CD2-CD1 4.21Å; L44-L48 VanDerWaalsContact O-CB 3.29Å; L44-L48 WeakPolarHBondContact O-CB 3.37Å; L44-L48 WeakPolarHBondContact O-CG 3.19Å; L44-L48 PolarHBondContact O-N 3.22Å; L44-F53 HydrophobicContact CB-CD2 3.98Å; L44-F53 HydrophobicContact CB-CE2 3.92Å; L44-Q57 VanDerWaalsContact CD1-CD 3.42Å; L44-Q57 HydrophobicContact CD1-CG 3.92Å; L44-Q57 VanDerWaalsContact CD1-OE1 3.29Å; L44-V82 HydrophobicContact CD2-CG1 3.72Å
45	K	97.1	Very high	94.1	Very high	118 Å²	118	69.3 Å²	69.3	51%	0.513	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-31.5	175.2	-74.6	179.9	-179.4	174.8	0	113.1	R41 D42 R47 F53	R41-K45 WeakPolarHBondContact O-CG 3.4Å; R41-K45 PolarHBondContact O-N 3Å; D42-K45 PolarHBondContact O-N 3.48Å; K45-R47 VanDerWaalsContact C-N 3.34Å; K45-F53 HydrophobicContact CB-CD2 4.48Å; K45-F53 HydrophobicContact CB-CE2 4.43Å; K45-F53 HydrophobicContact CD-CE2 4.46Å; K45-F53 HydrophobicContact CD-CZ 4.27Å; K45-F53 HydrophobicContact CG-CD1 4.39Å; K45-F53 HydrophobicContact CG-CD2 3.72Å; K45-F53 HydrophobicContact CG-CE1 4.14Å; K45-F53 HydrophobicContact CG-CE2 3.42Å; K45-F53 VanDerWaalsContact CG-CE2 3.42Å; K45-F53 HydrophobicContact CG-CG 4.21Å; K45-F53 HydrophobicContact CG-CZ 3.65Å
46	A	97.4	Very high	95.7	Very high	91 Å²	91	67.8 Å²	67.8	75%	0.752	36%	0.361	S	S	*	.	H	α-helix	trans	-74.5	-22.7	-179.8	0	0	0	0	0	113.6	D42 S43 L44	D42-A46 PolarHBondContact O-N 2.84Å; D42-A46 VanDerWaalsContact O-N 3.11Å; S43-A46 PolarHBondContact O-N 2.89Å; L44-A46 PolarHBondContact O-N 3.41Å
47	R	96.8	Very high	96.5	Very high	112 Å²	112	64 Å²	64	42%	0.423	34%	0.34	S	S	.	.	H	α-helix	trans	-119.3	-19.9	-173.4	74.5	-175.2	178.4	98.4	-8.3	115.5	S43 L44 K45 V82	S43-R47 WeakPolarHBondContact O-CG 3.29Å; S43-R47 PolarHBondContact O-N 3.05Å; L44-R47 PolarHBondContact O-N 3.22Å; K45-R47 VanDerWaalsContact C-N 3.34Å; R47-V82 VanDerWaalsContact CZ-O 3.24Å; R47-V82 PolarHBondContact NH1-O 2.89Å; R47-V82 PolarHBondContact NH2-O 2.99Å
48	L	97.9	Very high	97	Very high	14 Å²	14	65.6 Å²	65.6	7%	0.073	35%	0.346	C	S	.	.	S	Bend	trans	-96.2	148.3	175.9	-61	179.7	0	0	0	109.5	L44 E52 F53 V81 V82	L44-L48 HydrophobicContact CB-CD1 4.13Å; L44-L48 HydrophobicContact CD2-CD1 4.21Å; L44-L48 VanDerWaalsContact O-CB 3.29Å; L44-L48 WeakPolarHBondContact O-CB 3.37Å; L44-L48 WeakPolarHBondContact O-CG 3.19Å; L44-L48 PolarHBondContact O-N 3.22Å; L48-E52 HydrophobicContact CB-CB 4Å; L48-E52 HydrophobicContact CD2-CB 4.38Å; L48-F53 HydrophobicContact CB-CB 4.34Å; L48-V81 HydrophobicContact CD2-CG2 4.2Å; L48-V82 HydrophobicContact CD1-CG2 4.13Å
49	S	98.1	Very high	97.3	Very high	56 Å²	56	67 Å²	67	39%	0.392	34%	0.342	S	S	.	.			trans	-64.2	159.3	165	65.1	0	0	0	0	111.3	L51 E52 F53	S49-L51 PolarHBondContact O-N 3.01Å; S49-E52 WeakPolarHBondContact CB-OE2 3.35Å; S49-E52 PolarHBondContact N-OE2 3.47Å; S49-E52 PolarHBondContact O-N 3.41Å; S49-E52 VanDerWaalsContact O-N 3.13Å; S49-E52 WeakPolarHBondContact OG-CB 3.35Å; S49-E52 WeakPolarHBondContact OG-CG 3.45Å; S49-E52 PolarHBondContact OG-N 3.01Å; S49-E52 PolarHBondContact OG-OE2 2.98Å; S49-F53 WeakPolarHBondContact O-CB 3.25Å; S49-F53 PolarHBondContact O-N 3.49Å
50	D	98.1	Very high	97.5	Very high	136 Å²	136	66.8 Å²	66.8	73%	0.727	34%	0.342	S	S	*	.	H	α-helix	trans	-55.3	-36.7	177.8	-71.5	-19.3	0	0	0	113	R54	D50-R54 WeakPolarHBondContact O-CB 3.22Å; D50-R54 VanDerWaalsContact O-CG 3.26Å; D50-R54 WeakPolarHBondContact O-CG 3.43Å; D50-R54 PolarHBondContact O-N 2.92Å; D50-R54 PolarHBondContact O-NE 3.42Å
51	L	98.1	Very high	97.5	Very high	63 Å²	63	66.9 Å²	66.9	33%	0.33	34%	0.34	S	S	.	.	H	α-helix	trans	-70.1	-47.8	177.4	179.8	63.1	0	0	0	111.3	S49 F53 R54 V55 E62 C156	S49-L51 PolarHBondContact O-N 3.01Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 2.89Å; L51-R54 PolarHBondContact O-N 2.79Å; L51-V55 HydrophobicContact CD1-CG2 4Å; L51-V55 WeakPolarHBondContact O-CB 3.4Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.49Å; L51-E62 HydrophobicContact CD1-CB 4.44Å; L51-C156 HydrophobicContact CD2-CB 4.15Å; L51-C156 HydrophobicContact CG-CB 4.19Å
52	E	98.6	Very high	97.6	Very high	39 Å²	39	61.5 Å²	61.5	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-59.8	-42.4	177.6	-70.9	164.9	155.3	0	0	111.1	L48 S49 T56 V81 C156	L48-E52 HydrophobicContact CB-CB 4Å; L48-E52 HydrophobicContact CD2-CB 4.38Å; S49-E52 WeakPolarHBondContact CB-OE2 3.35Å; S49-E52 PolarHBondContact N-OE2 3.47Å; S49-E52 PolarHBondContact O-N 3.41Å; S49-E52 VanDerWaalsContact O-N 3.13Å; S49-E52 WeakPolarHBondContact OG-CB 3.35Å; S49-E52 WeakPolarHBondContact OG-CG 3.45Å; S49-E52 PolarHBondContact OG-N 3.01Å; S49-E52 PolarHBondContact OG-OE2 2.98Å; E52-T56 VanDerWaalsContact O-CB 3.29Å; E52-T56 WeakPolarHBondContact O-CB 3.38Å; E52-T56 WeakPolarHBondContact O-CG2 3.12Å; E52-T56 PolarHBondContact O-N 2.8Å; E52-T56 PolarHBondContact O-OG1 3.1Å; E52-V81 HydrophobicContact CG-CG2 4.25Å; E52-V81 WeakPolarHBondContact OE1-CG2 3.38Å; E52-C156 HydrophobicContact CG-CB 3.98Å; E52-C156 WeakPolarHBondContact CG-O 3.4Å
53	F	98.4	Very high	97.6	Very high	14 Å²	14	63.6 Å²	63.6	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-50.6	176.4	-175.4	-90.2	0	0	0	111.4	R41 L44 K45 L48 S49 L51 V55 Q57	R41-F53 HydrophobicContact CB-CZ 4.38Å; R41-F53 WeakPolarHBondContact O-CE2 3.47Å; L44-F53 HydrophobicContact CB-CD2 3.98Å; L44-F53 HydrophobicContact CB-CE2 3.92Å; K45-F53 HydrophobicContact CB-CD2 4.48Å; K45-F53 HydrophobicContact CB-CE2 4.43Å; K45-F53 HydrophobicContact CD-CE2 4.46Å; K45-F53 HydrophobicContact CD-CZ 4.27Å; K45-F53 HydrophobicContact CG-CD1 4.39Å; K45-F53 HydrophobicContact CG-CD2 3.72Å; K45-F53 HydrophobicContact CG-CE1 4.14Å; K45-F53 HydrophobicContact CG-CE2 3.42Å; K45-F53 VanDerWaalsContact CG-CE2 3.42Å; K45-F53 HydrophobicContact CG-CG 4.21Å; K45-F53 HydrophobicContact CG-CZ 3.65Å; L48-F53 HydrophobicContact CB-CB 4.34Å; S49-F53 WeakPolarHBondContact O-CB 3.25Å; S49-F53 PolarHBondContact O-N 3.49Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 2.89Å; F53-V55 PolarHBondContact O-N 2.82Å; F53-Q57 HydrophobicContact CD2-CB 4.41Å; F53-Q57 HydrophobicContact CD2-CG 3.87Å; F53-Q57 HydrophobicContact CE1-CB 4.37Å; F53-Q57 HydrophobicContact CE2-CB 4.19Å; F53-Q57 HydrophobicContact CE2-CG 3.87Å; F53-Q57 HydrophobicContact CG-CG 4.35Å; F53-Q57 HydrophobicContact CZ-CB 4.18Å; F53-Q57 HydrophobicContact CZ-CG 4.36Å; F53-Q57 WeakPolarHBondContact O-CA 3.43Å; F53-Q57 WeakPolarHBondContact O-CB 3.41Å; F53-Q57 WeakPolarHBondContact O-CG 3.41Å; F53-Q57 PolarHBondContact O-N 3.42Å
54	R	98.2	Very high	97.6	Very high	102 Å²	102	64 Å²	64	39%	0.385	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-46	-179.9	-78.7	-173.8	-55.6	129.1	-3.7	112.5	D50 L51 N58 K59 E60	D50-R54 WeakPolarHBondContact O-CB 3.22Å; D50-R54 VanDerWaalsContact O-CG 3.26Å; D50-R54 WeakPolarHBondContact O-CG 3.43Å; D50-R54 PolarHBondContact O-N 2.92Å; D50-R54 PolarHBondContact O-NE 3.42Å; L51-R54 PolarHBondContact O-N 2.79Å; R54-N58 CarbonylContact O-C 3.59Å; R54-N58 VanDerWaalsContact O-CA 3.28Å; R54-N58 WeakPolarHBondContact O-CA 3.37Å; R54-N58 VanDerWaalsContact O-CB 3.23Å; R54-N58 WeakPolarHBondContact O-CB 3.22Å; R54-N58 PolarHBondContact O-N 3.29Å; R54-K59 PolarHBondContact O-N 2.82Å; R54-E60 HydrophobicContact CB-CB 4.38Å; R54-E60 HydrophobicContact CB-CG 4.3Å; R54-E60 WeakPolarHBondContact CD-OE1 3.42Å; R54-E60 WeakPolarHBondContact CG-OE1 3.24Å; R54-E60 IonicContact CZ-OE2 3.52Å; R54-E60 IonicContact NE-OE2 3.88Å; R54-E60 IonicContact NH1-OE1 3.28Å; R54-E60 IonicContact NH1-OE2 2.62Å; R54-E60 PolarHBondContact NH1-OE2 3.28Å; R54-E60 PolarHBondContact O-N 2.86Å
55	V	98.4	Very high	97.6	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-54.5	178.9	168.3	0	0	0	0	110.6	L51 F53 Q57 K59 E60 E62 H135 N154 C156 A157	L51-V55 HydrophobicContact CD1-CG2 4Å; L51-V55 WeakPolarHBondContact O-CB 3.4Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.49Å; F53-V55 PolarHBondContact O-N 2.82Å; V55-Q57 PolarHBondContact O-N 2.8Å; V55-K59 WeakPolarHBondContact O-CA 3.32Å; V55-K59 PolarHBondContact O-N 2.78Å; V55-E60 HydrophobicContact CG2-CB 4.32Å; V55-E62 HydrophobicContact CG2-CB 4.49Å; V55-H135 WeakPolarHBondContact O-CB 3.31Å; V55-H135 PolarHBondContact O-CD2 2.96Å; V55-N154 HydrophobicContact CG1-CB 3.67Å; V55-C156 VanDerWaalsContact CG2-SG 3.56Å; V55-A157 HydrophobicContact CG1-CB 4.41Å
56	T	98.2	Very high	97.5	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-75.1	-28.9	-171.8	62.5	0	0	0	0	114	E52 V81 V82 A134 H135 A157	E52-T56 VanDerWaalsContact O-CB 3.29Å; E52-T56 WeakPolarHBondContact O-CB 3.38Å; E52-T56 WeakPolarHBondContact O-CG2 3.12Å; E52-T56 PolarHBondContact O-N 2.8Å; E52-T56 PolarHBondContact O-OG1 3.1Å; T56-V81 HydrophobicContact CG2-CG1 3.75Å; T56-V82 HydrophobicContact CG2-CG2 3.99Å; T56-A134 HydrophobicContact CG2-CB 4.37Å; T56-A134 WeakPolarHBondContact O-CA 2.92Å; T56-H135 PolarHBondContact O-N 3.06Å; T56-A157 HydrophobicContact CG2-CB 3.98Å
57	Q	97.6	Very high	97.5	Very high	33 Å²	33	64.7 Å²	64.7	15%	0.154	32%	0.324	C	S	.	.	H	α-helix	trans	-111.8	-21.5	-172.3	-49.9	-52.9	-57.2	0	0	114.3	R41 L44 F53 V55	R41-Q57 PolarHBondContact NH1-O 3.02Å; L44-Q57 VanDerWaalsContact CD1-CD 3.42Å; L44-Q57 HydrophobicContact CD1-CG 3.92Å; L44-Q57 VanDerWaalsContact CD1-OE1 3.29Å; F53-Q57 HydrophobicContact CD2-CB 4.41Å; F53-Q57 HydrophobicContact CD2-CG 3.87Å; F53-Q57 HydrophobicContact CE1-CB 4.37Å; F53-Q57 HydrophobicContact CE2-CB 4.19Å; F53-Q57 HydrophobicContact CE2-CG 3.87Å; F53-Q57 HydrophobicContact CG-CG 4.35Å; F53-Q57 HydrophobicContact CZ-CB 4.18Å; F53-Q57 HydrophobicContact CZ-CG 4.36Å; F53-Q57 WeakPolarHBondContact O-CA 3.43Å; F53-Q57 WeakPolarHBondContact O-CB 3.41Å; F53-Q57 WeakPolarHBondContact O-CG 3.41Å; F53-Q57 PolarHBondContact O-N 3.42Å; V55-Q57 PolarHBondContact O-N 2.8Å
58	N	97	Very high	97.4	Very high	68 Å²	68	64.4 Å²	64.4	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-114.4	8.8	177.6	-53	-23.6	0	0	0	112.4	R41 R54 E60	R41-N58 PolarHBondContact NH2-OD1 3.12Å; R54-N58 CarbonylContact O-C 3.59Å; R54-N58 VanDerWaalsContact O-CA 3.28Å; R54-N58 WeakPolarHBondContact O-CA 3.37Å; R54-N58 VanDerWaalsContact O-CB 3.23Å; R54-N58 WeakPolarHBondContact O-CB 3.22Å; R54-N58 PolarHBondContact O-N 3.29Å; N58-E60 HydrophobicContact CB-CG 4.43Å; N58-E60 PolarHBondContact O-N 2.92Å
59	K	96.7	Very high	97.4	Very high	122 Å²	122	64.9 Å²	64.9	53%	0.53	33%	0.327	S	S	.	.			trans	57.2	30.4	178	-49.6	-172.7	171.4	-160.7	0	113.4	R54 V55 E126 H135	R54-K59 PolarHBondContact O-N 2.82Å; V55-K59 WeakPolarHBondContact O-CA 3.32Å; V55-K59 PolarHBondContact O-N 2.78Å; K59-E126 VanDerWaalsContact CD-OE1 3.24Å; K59-E126 WeakPolarHBondContact CD-OE1 3.24Å; K59-E126 VanDerWaalsContact CE-OE1 3.22Å; K59-E126 WeakPolarHBondContact CE-OE1 3.35Å; K59-E126 IonicContact NZ-OE1 3.62Å; K59-E126 PolarHBondContact NZ-OE1 2.89Å; K59-E126 IonicContact NZ-OE2 2.8Å; K59-E126 PolarHBondContact NZ-OE2 2.93Å; K59-H135 HydrophobicContact CB-CB 4.38Å; K59-H135 HydrophobicContact CG-CB 4.08Å
60	E	97	Very high	97.3	Very high	66 Å²	66	63 Å²	63	31%	0.308	31%	0.313	S	S	.	.			trans	-73.9	166.9	171.6	-68.8	-174.2	-144.7	0	0	110.9	R54 V55 N58	R54-E60 HydrophobicContact CB-CB 4.38Å; R54-E60 HydrophobicContact CB-CG 4.3Å; R54-E60 WeakPolarHBondContact CD-OE1 3.42Å; R54-E60 WeakPolarHBondContact CG-OE1 3.24Å; R54-E60 IonicContact CZ-OE2 3.52Å; R54-E60 IonicContact NE-OE2 3.88Å; R54-E60 IonicContact NH1-OE1 3.28Å; R54-E60 IonicContact NH1-OE2 2.62Å; R54-E60 PolarHBondContact NH1-OE2 3.28Å; R54-E60 PolarHBondContact O-N 2.86Å; V55-E60 HydrophobicContact CG2-CB 4.32Å; N58-E60 HydrophobicContact CB-CG 4.43Å; N58-E60 PolarHBondContact O-N 2.92Å
61	T	96.8	Very high	97.1	Very high	72 Å²	72	62.3 Å²	62.3	44%	0.442	31%	0.309	S	S	.	.			trans	-119.6	131.8	175.5	-51	0	0	0	0	108.8	W100 N154	T61-W100 HydrophobicContact CG2-CZ2 3.75Å; T61-N154 WeakPolarHBondContact CA-OD1 3.31Å; T61-N154 WeakPolarHBondContact CG2-OD1 3.37Å
62	E	96.9	Very high	97	Very high	6 Å²	6	62 Å²	62	3%	0.028	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-65	155.5	173.9	76.8	-174.1	-169.7	0	0	110.4	L51 V55 G67 W100 N154 S155 C156	L51-E62 HydrophobicContact CD1-CB 4.44Å; V55-E62 HydrophobicContact CG2-CB 4.49Å; E62-G67 WeakPolarHBondContact OE1-CA 3.41Å; E62-W100 WeakPolarHBondContact O-CZ2 3.4Å; E62-W100 PolarHBondContact O-NE1 3.44Å; E62-N154 HydrophobicContact CG-CB 4.26Å; E62-N154 WeakPolarHBondContact CG-OD1 3.1Å; E62-N154 PolarHBondContact N-OD1 3.12Å; E62-S155 WeakPolarHBondContact OE1-CB 3.44Å; E62-S155 PolarHBondContact OE1-N 3.02Å; E62-S155 PolarHBondContact OE1-OG 3.44Å; E62-S155 PolarHBondContact OE2-N 3.4Å; E62-C156 PolarHBondContact OE2-N 3.42Å; E62-C156 PolarHBondContact OE2-SG 3.39Å
63	K	97.1	Very high	96.9	Very high	165 Å²	165	68.8 Å²	68.8	72%	0.717	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-61.7	141.1	178.5	-69.7	-177.5	-179.8	179	0	110.4	S66	K63-S66 WeakPolarHBondContact O-CB 3.29Å; K63-S66 PolarHBondContact O-N 3.25Å; K63-S66 PolarHBondContact O-OG 2.91Å
64	P	97.2	Very high	96.8	Very high	65 Å²	65	70.2 Å²	70.2	42%	0.422	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	144.9	176.9	26.4	-34.8	0	0	0	110.3	S66 W100	P64-S66 PolarHBondContact O-N 2.91Å; P64-W100 HydrophobicContact CB-CH2 3.75Å; P64-W100 HydrophobicContact CB-CZ2 3.81Å; P64-W100 HydrophobicContact CB-CZ3 4.17Å; P64-W100 HydrophobicContact CG-CH2 4.27Å; P64-W100 HydrophobicContact CG-CZ2 4.31Å
65	F	97.1	Very high	96.8	Very high	137 Å²	137	68.6 Å²	68.6	60%	0.601	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	4.1	-178.6	-46.5	-78.3	0	0	0	115.5	V70 S97 G99	F65-V70 HydrophobicContact CD1-CG1 4.41Å; F65-S97 WeakPolarHBondContact CZ-O 3.45Å; F65-G99 VanDerWaalsContact CD1-CA 3.48Å; F65-G99 PolarHBondContact N-O 3.34Å
66	S	96.4	Very high	96.8	Very high	73 Å²	73	68.7 Å²	68.7	51%	0.51	35%	0.35	S	S	.	.			trans	-89.5	-17.8	179.8	72.7	0	0	0	0	113.9	K63 P64	K63-S66 WeakPolarHBondContact O-CB 3.29Å; K63-S66 PolarHBondContact O-N 3.25Å; K63-S66 PolarHBondContact O-OG 2.91Å; P64-S66 PolarHBondContact O-N 2.91Å
67	G	96.3	Very high	96.8	Very high	13 Å²	13	70.3 Å²	70.3	13%	0.134	36%	0.359	C	S	.	.	S	Bend	trans	-77.6	143.4	-173.6	0	0	0	0	0	114.3	E62 Y69 V70 S155	E62-G67 WeakPolarHBondContact OE1-CA 3.41Å; G67-Y69 PolarHBondContact O-N 3.41Å; G67-Y69 VanDerWaalsContact O-N 3.12Å; G67-V70 VanDerWaalsContact O-CG2 3.28Å; G67-V70 WeakPolarHBondContact O-CG2 3.46Å; G67-V70 PolarHBondContact O-N 3.3Å; G67-S155 VanDerWaalsContact CA-OG 3.31Å; G67-S155 WeakPolarHBondContact CA-OG 3.39Å
68	K	96.1	Very high	96.8	Very high	106 Å²	106	68.8 Å²	68.8	46%	0.461	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.2	178.4	56.3	174.3	169.9	165	0	114.7	L158	K68-L158 PolarHBondContact NZ-O 3.48Å
69	Y	97.4	Very high	96.9	Very high	24 Å²	24	67.8 Å²	67.8	9%	0.094	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	6.7	-172	-60.1	-42.5	0	0	0	114.7	G67 N71 E72 Y78 K93 S155 L158 L160	G67-Y69 PolarHBondContact O-N 3.41Å; G67-Y69 VanDerWaalsContact O-N 3.12Å; Y69-N71 PolarHBondContact O-N 3.13Å; Y69-E72 HydrophobicContact CD1-CB 3.86Å; Y69-E72 HydrophobicContact CD1-CG 3.85Å; Y69-E72 HydrophobicContact CE1-CG 4.47Å; Y69-E72 HydrophobicContact CG-CB 4.48Å; Y69-E72 PolarHBondContact O-N 3.18Å; Y69-Y78 HydrophobicContact CD1-CE1 4.08Å; Y69-Y78 HydrophobicContact CD2-CD1 4.17Å; Y69-Y78 AromaticContact CD2-CE1 3.9Å; Y69-Y78 HydrophobicContact CD2-CE1 3.9Å; Y69-Y78 HydrophobicContact CE2-CD1 4.4Å; Y69-Y78 HydrophobicContact CE2-CE1 4.33Å; Y69-Y78 HydrophobicContact CG-CD1 4.48Å; Y69-Y78 AromaticContact CG-CE1 3.75Å; Y69-Y78 HydrophobicContact CG-CE1 3.75Å; Y69-K93 WeakPolarHBondContact O-CE 3.43Å; Y69-K93 PolarHBondContact O-NZ 2.78Å; Y69-S155 PolarHBondContact N-OG 2.86Å; Y69-L158 HydrophobicContact CD2-CB 3.95Å; Y69-L158 HydrophobicContact CE2-CB 3.93Å; Y69-L158 WeakPolarHBondContact CE2-O 3.28Å; Y69-L160 HydrophobicContact CE1-CB 3.88Å; Y69-L160 HydrophobicContact CE2-CB 4.5Å; Y69-L160 PolarHBondContact OH-N 3.21Å
70	V	95.7	Very high	97	Very high	17 Å²	17	62 Å²	62	10%	0.103	32%	0.319	C	S	.	.	S	Bend	trans	-54.6	-54.5	178.7	176.6	0	0	0	0	110	F65 G67 K93 G99	F65-V70 HydrophobicContact CD1-CG1 4.41Å; G67-V70 VanDerWaalsContact O-CG2 3.28Å; G67-V70 WeakPolarHBondContact O-CG2 3.46Å; G67-V70 PolarHBondContact O-N 3.3Å; V70-K93 PolarHBondContact O-NZ 2.86Å; V70-K93 VanDerWaalsContact O-NZ 3.12Å; V70-G99 VanDerWaalsContact CG2-O 3.28Å; V70-G99 WeakPolarHBondContact CG2-O 3.34Å
71	N	94.3	Very high	97	Very high	121 Å²	121	59.3 Å²	59.3	65%	0.647	31%	0.307	S	S	*	.	S	Bend	trans	-102.6	7.2	-178.4	-63.5	-44.3	0	0	0	114.2	Y69	Y69-N71 PolarHBondContact O-N 3.13Å
72	E	96.8	Very high	97.1	Very high	55 Å²	55	56 Å²	56	26%	0.257	29%	0.286	S	S	.	.			trans	-66.2	138.5	178.6	-178.7	57.7	-100.3	0	0	111.1	Y69 S74 Y78 K93 L160	Y69-E72 HydrophobicContact CD1-CB 3.86Å; Y69-E72 HydrophobicContact CD1-CG 3.85Å; Y69-E72 HydrophobicContact CE1-CG 4.47Å; Y69-E72 HydrophobicContact CG-CB 4.48Å; Y69-E72 PolarHBondContact O-N 3.18Å; E72-S74 WeakPolarHBondContact OE1-CB 3.26Å; E72-S74 PolarHBondContact OE1-N 3.4Å; E72-S74 PolarHBondContact OE1-OG 2.78Å; E72-Y78 WeakPolarHBondContact CG-OH 3.42Å; E72-K93 WeakPolarHBondContact O-CE 3.31Å; E72-K93 PolarHBondContact O-NZ 3.38Å; E72-L160 HydrophobicContact CG-CD2 3.81Å
73	K	95.2	Very high	97.1	Very high	182 Å²	182	57.1 Å²	57.1	79%	0.791	30%	0.295	S	S	*	.			trans	-136.2	1	-177.1	-64.6	-177.1	-177	179.4	0	113.4
74	S	96.8	Very high	97.2	Very high	44 Å²	44	53 Å²	53	31%	0.308	29%	0.287	S	S	.	.			trans	-59.6	137.5	179.6	-59.7	0	0	0	0	110.5	E72	E72-S74 WeakPolarHBondContact OE1-CB 3.26Å; E72-S74 PolarHBondContact OE1-N 3.4Å; E72-S74 PolarHBondContact OE1-OG 2.78Å
75	P	97.6	Very high	97.2	Very high	69 Å²	69	51.9 Å²	51.9	45%	0.448	28%	0.28	S	S	.	.	S	Bend	trans	-67	143.1	177.2	29.4	-34.8	0	0	0	110.6	S90 S162 D163	P75-S90 WeakPolarHBondContact CA-OG 3.47Å; P75-S162 WeakPolarHBondContact O-CA 3.43Å; P75-D163 PolarHBondContact O-N 3.04Å; P75-D163 VanDerWaalsContact O-N 3.12Å
76	G	97.9	Very high	97.2	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.9	-165.2	175.8	0	0	0	0	0	113.4	S90 D161	G76-S90 PolarHBondContact N-OG 3.29Å; G76-S90 WeakPolarHBondContact O-CB 3.39Å; G76-S90 PolarHBondContact O-N 2.83Å; G76-S90 PolarHBondContact O-OG 3.42Å; G76-D161 CarbonylContact C-O 3.04Å; G76-D161 VanDerWaalsContact CA-O 3.25Å; G76-D161 WeakPolarHBondContact CA-O 3.28Å
77	I	98.3	Very high	97.3	Very high	37 Å²	37	47.3 Å²	47.3	19%	0.19	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.9	-175.1	-56	-54.9	0	0	0	110.7	K79 K86 I107 D161	I77-K79 HydrophobicContact CG2-CG 4.21Å; I77-K79 PolarHBondContact O-N 3.44Å; I77-K86 HydrophobicContact CG2-CB 3.85Å; I77-K86 HydrophobicContact CG2-CD 4.24Å; I77-K86 HydrophobicContact CG2-CG 3.86Å; I77-I107 HydrophobicContact CD1-CD1 3.74Å; I77-I107 HydrophobicContact CG1-CD1 4.43Å; I77-I107 HydrophobicContact CG2-CD1 3.99Å; I77-D161 PolarHBondContact N-O 2.79Å; I77-D161 PolarHBondContact O-N 2.74Å
78	Y	98.6	Very high	97.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.2	169.3	-67	-89.8	0	0	0	109.6	Y69 E72 L87 F88 K93 F103 L158 L160	Y69-Y78 HydrophobicContact CD1-CE1 4.08Å; Y69-Y78 HydrophobicContact CD2-CD1 4.17Å; Y69-Y78 AromaticContact CD2-CE1 3.9Å; Y69-Y78 HydrophobicContact CD2-CE1 3.9Å; Y69-Y78 HydrophobicContact CE2-CD1 4.4Å; Y69-Y78 HydrophobicContact CE2-CE1 4.33Å; Y69-Y78 HydrophobicContact CG-CD1 4.48Å; Y69-Y78 AromaticContact CG-CE1 3.75Å; Y69-Y78 HydrophobicContact CG-CE1 3.75Å; E72-Y78 WeakPolarHBondContact CG-OH 3.42Å; Y78-L87 WeakPolarHBondContact O-CB 3.39Å; Y78-L87 PolarHBondContact O-N 3.25Å; Y78-F88 PolarHBondContact N-O 2.9Å; Y78-F88 PolarHBondContact O-N 2.61Å; Y78-F88 VanDerWaalsContact O-N 3.16Å; Y78-K93 HydrophobicContact CE2-CD 3.93Å; Y78-K93 VanDerWaalsContact OH-CD 3.32Å; Y78-K93 WeakPolarHBondContact OH-CD 3.49Å; Y78-F103 HydrophobicContact CD1-CZ 4.19Å; Y78-F103 AromaticContact CD2-CE1 3.47Å; Y78-F103 HydrophobicContact CD2-CE1 3.47Å; Y78-F103 VanDerWaalsContact CD2-CE1 3.47Å; Y78-F103 AromaticContact CD2-CZ 3.66Å; Y78-F103 HydrophobicContact CD2-CZ 3.66Å; Y78-F103 HydrophobicContact CE1-CZ 4.41Å; Y78-F103 AromaticContact CE2-CE1 3.67Å; Y78-F103 HydrophobicContact CE2-CE1 3.67Å; Y78-F103 AromaticContact CE2-CZ 3.9Å; Y78-F103 HydrophobicContact CE2-CZ 3.9Å; Y78-F103 HydrophobicContact CG-CE1 4.07Å; Y78-F103 AromaticContact CG-CZ 3.8Å; Y78-F103 HydrophobicContact CG-CZ 3.8Å; Y78-L158 HydrophobicContact CD1-CB 4.26Å; Y78-L158 HydrophobicContact CD1-CD1 3.92Å; Y78-L158 HydrophobicContact CG-CD1 4.36Å; Y78-L160 HydrophobicContact CD1-CB 4.14Å; Y78-L160 HydrophobicContact CD1-CD1 4.19Å; Y78-L160 HydrophobicContact CD2-CD1 4.03Å; Y78-L160 HydrophobicContact CE1-CB 3.99Å; Y78-L160 HydrophobicContact CE1-CD1 4.06Å; Y78-L160 HydrophobicContact CE1-CD2 4.35Å; Y78-L160 HydrophobicContact CE1-CG 4.36Å; Y78-L160 HydrophobicContact CE2-CD1 3.9Å; Y78-L160 HydrophobicContact CG-CD1 4.19Å
79	K	98.6	Very high	97.5	Very high	48 Å²	48	42.6 Å²	42.6	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	155.4	-180	-61.2	177.8	-175.6	173.7	0	110.7	I77 V81 S85 L158 I159 D161	I77-K79 HydrophobicContact CG2-CG 4.21Å; I77-K79 PolarHBondContact O-N 3.44Å; K79-V81 PolarHBondContact O-N 3.27Å; K79-S85 CarbonylContact C-O 3.38Å; K79-S85 WeakPolarHBondContact CA-O 3.23Å; K79-L158 CarbonylContact O-C 3.53Å; K79-L158 VanDerWaalsContact O-CA 3.31Å; K79-L158 WeakPolarHBondContact O-CA 3.43Å; K79-I159 PolarHBondContact N-O 3.29Å; K79-I159 PolarHBondContact O-N 2.75Å; K79-D161 HydrophobicContact CD-CB 4.11Å; K79-D161 VanDerWaalsContact CE-CB 3.49Å; K79-D161 VanDerWaalsContact CE-OD2 3.23Å; K79-D161 WeakPolarHBondContact CE-OD2 3.33Å; K79-D161 VanDerWaalsContact NZ-CG 3.31Å; K79-D161 IonicContact NZ-OD2 2.59Å; K79-D161 PolarHBondContact NZ-OD2 3.18Å
80	C	98.6	Very high	97.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	129.5	171.9	-176.7	0	0	0	0	110.5	V82 S84 S85 L87 C129	C80-V82 PolarHBondContact O-N 3.02Å; C80-V82 PolarHBondContact SG-N 2.62Å; C80-V82 VanDerWaalsContact SG-N 3.41Å; C80-S84 WeakPolarHBondContact O-CA 3.2Å; C80-S84 PolarHBondContact O-N 3.22Å; C80-S85 PolarHBondContact N-O 3.43Å; C80-L87 HydrophobicContact CB-CD1 3.76Å; C80-L87 HydrophobicContact CB-CG 4.23Å; C80-C129 HydrophobicContact CB-CB 4.49Å
81	V	98.4	Very high	97.6	Very high	10 Å²	10	50 Å²	50	6%	0.061	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.1	175.5	71.8	0	0	0	0	112.7	L48 E52 T56 K79 C156 A157 I159	L48-V81 HydrophobicContact CD2-CG2 4.2Å; E52-V81 HydrophobicContact CG-CG2 4.25Å; E52-V81 WeakPolarHBondContact OE1-CG2 3.38Å; T56-V81 HydrophobicContact CG2-CG1 3.75Å; K79-V81 PolarHBondContact O-N 3.27Å; V81-C156 WeakPolarHBondContact CG1-O 3.4Å; V81-A157 PolarHBondContact N-O 3.01Å; V81-I159 HydrophobicContact CB-CD1 4.29Å; V81-I159 HydrophobicContact CB-CG1 4.12Å; V81-I159 HydrophobicContact CG2-CD1 3.9Å; V81-I159 HydrophobicContact CG2-CG1 3.91Å
82	V	98.3	Very high	97.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-56.5	-176	-178.5	0	0	0	0	111.4	F39 L44 R47 L48 T56 C80 C132 A134	F39-V82 HydrophobicContact CD2-CG1 3.85Å; F39-V82 HydrophobicContact CE2-CG1 4.13Å; L44-V82 HydrophobicContact CD2-CG1 3.72Å; R47-V82 VanDerWaalsContact CZ-O 3.24Å; R47-V82 PolarHBondContact NH1-O 2.89Å; R47-V82 PolarHBondContact NH2-O 2.99Å; L48-V82 HydrophobicContact CD1-CG2 4.13Å; T56-V82 HydrophobicContact CG2-CG2 3.99Å; C80-V82 PolarHBondContact O-N 3.02Å; C80-V82 PolarHBondContact SG-N 2.62Å; C80-V82 VanDerWaalsContact SG-N 3.41Å; V82-C132 HydrophobicContact CG1-CB 4.16Å; V82-A134 HydrophobicContact CB-CB 4.2Å; V82-A134 HydrophobicContact CG2-CB 3.73Å
83	C	97.5	Very high	97.8	Very high	30 Å²	30	43.6 Å²	43.6	20%	0.203	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	1.9	-170.3	68.8	0	0	0	0	114.6	F39 S85 C129 C132	F39-C83 HydrophobicContact CE2-CB 3.77Å; F39-C83 HydrophobicContact CZ-CB 4.18Å; C83-S85 PolarHBondContact O-N 2.8Å; C83-S85 VanDerWaalsContact SG-CB 3.53Å; C83-S85 PolarHBondContact SG-OG 3.21Å; C83-C129 PolarHBondContact SG-SG 3.21Å; C83-C132 HydrophobicContact CB-CB 3.81Å; C83-C132 PolarHBondContact SG-SG 3.08Å
84	S	97.5	Very high	97.9	Very high	78 Å²	78	37 Å²	37	55%	0.545	20%	0.204	S	C	.	.			trans	61.5	9.6	-177.8	-50	0	0	0	0	115.7	C80	C80-S84 WeakPolarHBondContact O-CA 3.2Å; C80-S84 PolarHBondContact O-N 3.22Å
85	S	97.5	Very high	97.8	Very high	42 Å²	42	43.4 Å²	43.4	29%	0.294	22%	0.223	S	C	.	.			trans	-57.3	139.2	171.7	-68.6	0	0	0	0	110.6	K79 C80 C83	K79-S85 CarbonylContact C-O 3.38Å; K79-S85 WeakPolarHBondContact CA-O 3.23Å; C80-S85 PolarHBondContact N-O 3.43Å; C83-S85 PolarHBondContact O-N 2.8Å; C83-S85 VanDerWaalsContact SG-CB 3.53Å; C83-S85 PolarHBondContact SG-OG 3.21Å
86	K	98	Very high	97.5	Very high	114 Å²	114	41.5 Å²	41.5	50%	0.496	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.4	175.4	-59.6	-178.9	-178.7	177.5	0	109.3	I77 I107 S111	I77-K86 HydrophobicContact CG2-CB 3.85Å; I77-K86 HydrophobicContact CG2-CD 4.24Å; I77-K86 HydrophobicContact CG2-CG 3.86Å; K86-I107 HydrophobicContact CB-CD1 4.09Å; K86-I107 HydrophobicContact CB-CG2 4.04Å; K86-I107 HydrophobicContact CD-CD1 4.29Å; K86-I107 WeakPolarHBondContact O-CG2 3.38Å; K86-S111 WeakPolarHBondContact O-CB 3.49Å
87	L	98.4	Very high	97.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-50.6	-174.9	-59.9	175.3	0	0	0	112.2	Y78 C80 I107 L112 C129 L136 L158	Y78-L87 WeakPolarHBondContact O-CB 3.39Å; Y78-L87 PolarHBondContact O-N 3.25Å; C80-L87 HydrophobicContact CB-CD1 3.76Å; C80-L87 HydrophobicContact CB-CG 4.23Å; L87-I107 WeakPolarHBondContact O-CG2 3.36Å; L87-I107 PolarHBondContact O-N 2.95Å; L87-L112 HydrophobicContact CD2-CD2 3.86Å; L87-C129 HydrophobicContact CD2-CB 4.3Å; L87-L136 HydrophobicContact CD1-CD1 3.65Å; L87-L136 HydrophobicContact CD1-CD2 3.79Å; L87-L136 HydrophobicContact CD1-CG 4.38Å; L87-L136 HydrophobicContact CD2-CD1 4.11Å; L87-L136 HydrophobicContact CG-CD1 4.44Å; L87-L158 HydrophobicContact CD1-CD2 3.71Å
88	F	98.4	Very high	97.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.4	-174.5	-57.2	-82.4	0	0	0	111.1	Y78 F103 S105 P106 L112 Y151 I153	Y78-F88 PolarHBondContact N-O 2.9Å; Y78-F88 PolarHBondContact O-N 2.61Å; Y78-F88 VanDerWaalsContact O-N 3.16Å; F88-F103 HydrophobicContact CB-CB 4.47Å; F88-F103 HydrophobicContact CB-CD1 3.47Å; F88-F103 VanDerWaalsContact CB-CD1 3.47Å; F88-F103 HydrophobicContact CB-CD2 4.26Å; F88-F103 HydrophobicContact CB-CE1 3.59Å; F88-F103 HydrophobicContact CB-CE2 4.37Å; F88-F103 HydrophobicContact CB-CG 3.82Å; F88-F103 HydrophobicContact CB-CZ 4.06Å; F88-F103 HydrophobicContact CD1-CB 3.54Å; F88-F103 HydrophobicContact CD1-CD1 4.15Å; F88-F103 HydrophobicContact CD1-CD2 4.03Å; F88-F103 AromaticContact CD1-CG 3.65Å; F88-F103 HydrophobicContact CD1-CG 3.65Å; F88-F103 HydrophobicContact CD2-CD2 4.07Å; F88-F103 HydrophobicContact CD2-CE2 4.16Å; F88-F103 HydrophobicContact CD2-CG 4.38Å; F88-F103 HydrophobicContact CE1-CB 4Å; F88-F103 HydrophobicContact CE1-CD2 4.43Å; F88-F103 HydrophobicContact CE1-CG 4.33Å; F88-F103 HydrophobicContact CE2-CD2 4.47Å; F88-F103 HydrophobicContact CG-CB 4.12Å; F88-F103 AromaticContact CG-CD1 3.9Å; F88-F103 HydrophobicContact CG-CD1 3.9Å; F88-F103 AromaticContact CG-CD2 3.85Å; F88-F103 HydrophobicContact CG-CD2 3.85Å; F88-F103 HydrophobicContact CG-CE1 4.24Å; F88-F103 HydrophobicContact CG-CE2 4.2Å; F88-F103 AromaticContact CG-CG 3.69Å; F88-F103 HydrophobicContact CG-CG 3.69Å; F88-F103 HydrophobicContact CG-CZ 4.38Å; F88-S105 WeakPolarHBondContact CD1-O 3.43Å; F88-P106 HydrophobicContact CE1-CB 4.37Å; F88-L112 HydrophobicContact CE1-CD1 4.1Å; F88-L112 HydrophobicContact CZ-CD1 3.82Å; F88-L112 HydrophobicContact CZ-CD2 4.28Å; F88-Y151 HydrophobicContact CE1-CD1 4.02Å; F88-Y151 HydrophobicContact CE1-CD2 4.45Å; F88-Y151 AromaticContact CE1-CG 3.84Å; F88-Y151 HydrophobicContact CE1-CG 3.84Å; F88-Y151 HydrophobicContact CZ-CD1 4.12Å; F88-Y151 HydrophobicContact CZ-CG 4.25Å; F88-I153 HydrophobicContact CE2-CD1 4.06Å; F88-I153 HydrophobicContact CE2-CG1 3.76Å; F88-I153 HydrophobicContact CZ-CD1 3.92Å; F88-I153 HydrophobicContact CZ-CG1 3.86Å
89	S	97.6	Very high	97	Very high	19 Å²	19	45.3 Å²	45.3	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	146.5	167.1	174.8	0	0	0	0	109.9	E91 A92	S89-E91 PolarHBondContact O-N 2.59Å; S89-E91 WeakPolarHBondContact OG-CB 3.48Å; S89-E91 PolarHBondContact OG-N 3.48Å; S89-E91 VanDerWaalsContact OG-N 3.11Å; S89-A92 PolarHBondContact O-N 3.04Å; S89-A92 VanDerWaalsContact O-N 3.08Å
90	S	97.7	Very high	97	Very high	24 Å²	24	45.6 Å²	45.6	17%	0.168	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-56.4	-28.7	167.3	57.5	0	0	0	0	112.6	P75 G76 A92 K93	P75-S90 WeakPolarHBondContact CA-OG 3.47Å; G76-S90 PolarHBondContact N-OG 3.29Å; G76-S90 WeakPolarHBondContact O-CB 3.39Å; G76-S90 PolarHBondContact O-N 2.83Å; G76-S90 PolarHBondContact O-OG 3.42Å; S90-A92 VanDerWaalsContact C-N 3.26Å; S90-A92 PolarHBondContact O-N 3.16Å; S90-K93 VanDerWaalsContact O-CB 3.24Å; S90-K93 WeakPolarHBondContact O-CB 3.4Å; S90-K93 PolarHBondContact O-N 2.91Å; S90-K93 VanDerWaalsContact O-N 3.08Å
91	E	97	Very high	97	Very high	174 Å²	174	45.7 Å²	45.7	81%	0.813	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-65.9	-28.6	176.6	-60.7	178.1	155.3	0	0	112.8	S89 K93	S89-E91 PolarHBondContact O-N 2.59Å; S89-E91 WeakPolarHBondContact OG-CB 3.48Å; S89-E91 PolarHBondContact OG-N 3.48Å; S89-E91 VanDerWaalsContact OG-N 3.11Å; E91-K93 VanDerWaalsContact C-N 3.32Å
92	A	97.5	Very high	97	Very high	7 Å²	7	45.2 Å²	45.2	6%	0.058	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-82.6	-12.8	175.3	0	0	0	0	0	112.3	S89 S90 F103 N104 S105	S89-A92 PolarHBondContact O-N 3.04Å; S89-A92 VanDerWaalsContact O-N 3.08Å; S90-A92 VanDerWaalsContact C-N 3.26Å; S90-A92 PolarHBondContact O-N 3.16Å; A92-F103 CarbonylContact O-C 3.52Å; A92-F103 VanDerWaalsContact O-CA 3.27Å; A92-F103 WeakPolarHBondContact O-CA 3.31Å; A92-N104 WeakPolarHBondContact CB-OD1 3.44Å; A92-N104 PolarHBondContact O-N 2.85Å; A92-S105 WeakPolarHBondContact CB-O 3.36Å
93	K	98	Very high	97	Very high	34 Å²	34	45.1 Å²	45.1	15%	0.148	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136	-179.2	-165	174.1	-175.4	-75.6	0	110.1	Y69 V70 E72 Y78 S90 E91 A102 F103	Y69-K93 WeakPolarHBondContact O-CE 3.43Å; Y69-K93 PolarHBondContact O-NZ 2.78Å; V70-K93 PolarHBondContact O-NZ 2.86Å; V70-K93 VanDerWaalsContact O-NZ 3.12Å; E72-K93 WeakPolarHBondContact O-CE 3.31Å; E72-K93 PolarHBondContact O-NZ 3.38Å; Y78-K93 HydrophobicContact CE2-CD 3.93Å; Y78-K93 VanDerWaalsContact OH-CD 3.32Å; Y78-K93 WeakPolarHBondContact OH-CD 3.49Å; S90-K93 VanDerWaalsContact O-CB 3.24Å; S90-K93 WeakPolarHBondContact O-CB 3.4Å; S90-K93 PolarHBondContact O-N 2.91Å; S90-K93 VanDerWaalsContact O-N 3.08Å; E91-K93 VanDerWaalsContact C-N 3.32Å; K93-A102 WeakPolarHBondContact CA-O 3.41Å; K93-F103 HydrophobicContact CB-CD1 3.69Å; K93-F103 HydrophobicContact CB-CE1 3.62Å; K93-F103 HydrophobicContact CD-CE1 3.98Å; K93-F103 HydrophobicContact CD-CZ 4.18Å; K93-F103 HydrophobicContact CG-CD1 4.08Å; K93-F103 HydrophobicContact CG-CE1 3.78Å; K93-F103 HydrophobicContact CG-CZ 4.25Å
94	F	97.2	Very high	97	Very high	42 Å²	42	45.3 Å²	45.3	18%	0.184	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.7	175.9	66.7	-89	0	0	0	111.5	C96 A102 N104 P144 R150	F94-C96 HydrophobicContact CD2-CB 4.41Å; F94-C96 HydrophobicContact CE2-CB 4Å; F94-C96 PolarHBondContact O-N 3.11Å; F94-A102 HydrophobicContact CD1-CB 4.43Å; F94-A102 HydrophobicContact CD2-CB 4.38Å; F94-A102 HydrophobicContact CE1-CB 4.03Å; F94-A102 HydrophobicContact CE2-CB 3.95Å; F94-A102 HydrophobicContact CZ-CB 3.77Å; F94-A102 PolarHBondContact N-O 2.99Å; F94-N104 HydrophobicContact CD1-CB 4.01Å; F94-N104 HydrophobicContact CE1-CB 3.98Å; F94-P144 HydrophobicContact CD1-CG 3.87Å; F94-P144 HydrophobicContact CD2-CG 4.22Å; F94-P144 VanDerWaalsContact CE1-CD 3.47Å; F94-P144 HydrophobicContact CE1-CG 3.9Å; F94-P144 HydrophobicContact CE2-CG 4.29Å; F94-P144 HydrophobicContact CG-CG 4.03Å; F94-P144 HydrophobicContact CZ-CG 4.11Å; F94-R150 HydrophobicContact CE1-CG 4.46Å; F94-R150 HydrophobicContact CE2-CG 4.5Å; F94-R150 HydrophobicContact CZ-CB 3.94Å; F94-R150 HydrophobicContact CZ-CG 3.67Å
95	Y	94.4	Very high	97	Very high	180 Å²	180	43.5 Å²	43.5	71%	0.706	22%	0.224	S	C	*	.			trans	-71.3	125.9	175.5	175	-99.8	0	0	0	110.3
96	C	92.3	Very high	96.9	Very high	28 Å²	28	43 Å²	43	19%	0.189	22%	0.219	C	C	.	.			trans	-135.9	132.6	172.9	-174.4	0	0	0	0	109	F94 C98 A102 R150	F94-C96 HydrophobicContact CD2-CB 4.41Å; F94-C96 HydrophobicContact CE2-CB 4Å; F94-C96 PolarHBondContact O-N 3.11Å; C96-C98 PolarHBondContact O-N 2.97Å; C96-C98 PolarHBondContact SG-SG 3.27Å; C96-A102 HydrophobicContact CB-CB 3.46Å; C96-A102 VanDerWaalsContact CB-CB 3.46Å; C96-R150 WeakPolarHBondContact SG-CD 3.42Å
97	S	93.4	Very high	96.8	Very high	88 Å²	88	40.1 Å²	40.1	62%	0.615	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	3.6	178	53.1	0	0	0	0	113.7	F65 G99	F65-S97 WeakPolarHBondContact CZ-O 3.45Å; S97-G99 PolarHBondContact O-N 3.09Å
98	C	94.7	Very high	96.5	Very high	32 Å²	32	45.9 Å²	45.9	22%	0.216	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.4	-179.3	68.8	0	0	0	0	114	C96 W100	C96-C98 PolarHBondContact O-N 2.97Å; C96-C98 PolarHBondContact SG-SG 3.27Å; C98-W100 HydrophobicContact CB-CE3 4.32Å; C98-W100 WeakPolarHBondContact O-CZ3 3.31Å; C98-W100 PolarHBondContact SG-O 3.13Å
99	G	96.6	Very high	95.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	95.2	4.4	178.8	0	0	0	0	0	115.2	F65 V70 S97	F65-G99 VanDerWaalsContact CD1-CA 3.48Å; F65-G99 PolarHBondContact N-O 3.34Å; V70-G99 VanDerWaalsContact CG2-O 3.28Å; V70-G99 WeakPolarHBondContact CG2-O 3.34Å; S97-G99 PolarHBondContact O-N 3.09Å
100	W	98.3	Very high	95.4	Very high	54 Å²	54	53.4 Å²	53.4	21%	0.205	28%	0.282	C	S	.	.	S	Bend	trans	-127.2	156.7	171.2	-62.5	-86.1	0	0	0	110.6	T61 E62 P64 C98 A102	T61-W100 HydrophobicContact CG2-CZ2 3.75Å; E62-W100 WeakPolarHBondContact O-CZ2 3.4Å; E62-W100 PolarHBondContact O-NE1 3.44Å; P64-W100 HydrophobicContact CB-CH2 3.75Å; P64-W100 HydrophobicContact CB-CZ2 3.81Å; P64-W100 HydrophobicContact CB-CZ3 4.17Å; P64-W100 HydrophobicContact CG-CH2 4.27Å; P64-W100 HydrophobicContact CG-CZ2 4.31Å; C98-W100 HydrophobicContact CB-CE3 4.32Å; C98-W100 WeakPolarHBondContact O-CZ3 3.31Å; C98-W100 PolarHBondContact SG-O 3.13Å; W100-A102 PolarHBondContact O-N 3.44Å
101	P	98.1	Very high	95.2	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	28%	0.278	C	S	.	.			trans	-47.3	130	166	-24.6	27.1	0	0	0	112	F103 I153 S155	P101-F103 HydrophobicContact CB-CE2 3.81Å; P101-F103 HydrophobicContact CB-CZ 4.28Å; P101-I153 WeakPolarHBondContact CD-O 3.49Å; P101-I153 WeakPolarHBondContact CG-O 3.37Å; P101-I153 PolarHBondContact O-N 3.28Å; P101-S155 WeakPolarHBondContact CD-OG 3.21Å; P101-S155 WeakPolarHBondContact CG-OG 3.4Å
102	A	98.3	Very high	95.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.1	179.3	0	0	0	0	0	110.5	K93 F94 C96 W100 R150 Y151	K93-A102 WeakPolarHBondContact CA-O 3.41Å; F94-A102 HydrophobicContact CD1-CB 4.43Å; F94-A102 HydrophobicContact CD2-CB 4.38Å; F94-A102 HydrophobicContact CE1-CB 4.03Å; F94-A102 HydrophobicContact CE2-CB 3.95Å; F94-A102 HydrophobicContact CZ-CB 3.77Å; F94-A102 PolarHBondContact N-O 2.99Å; C96-A102 HydrophobicContact CB-CB 3.46Å; C96-A102 VanDerWaalsContact CB-CB 3.46Å; W100-A102 PolarHBondContact O-N 3.44Å; A102-R150 HydrophobicContact CB-CG 4.07Å; A102-Y151 VanDerWaalsContact CA-O 3.31Å; A102-Y151 WeakPolarHBondContact CA-O 3.41Å
103	F	98.5	Very high	95	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.1	177.1	-53.8	-93.8	0	0	0	110.4	Y78 F88 A92 K93 P101 Y151 I153 L158	Y78-F103 HydrophobicContact CD1-CZ 4.19Å; Y78-F103 AromaticContact CD2-CE1 3.47Å; Y78-F103 HydrophobicContact CD2-CE1 3.47Å; Y78-F103 VanDerWaalsContact CD2-CE1 3.47Å; Y78-F103 AromaticContact CD2-CZ 3.66Å; Y78-F103 HydrophobicContact CD2-CZ 3.66Å; Y78-F103 HydrophobicContact CE1-CZ 4.41Å; Y78-F103 AromaticContact CE2-CE1 3.67Å; Y78-F103 HydrophobicContact CE2-CE1 3.67Å; Y78-F103 AromaticContact CE2-CZ 3.9Å; Y78-F103 HydrophobicContact CE2-CZ 3.9Å; Y78-F103 HydrophobicContact CG-CE1 4.07Å; Y78-F103 AromaticContact CG-CZ 3.8Å; Y78-F103 HydrophobicContact CG-CZ 3.8Å; F88-F103 HydrophobicContact CB-CB 4.47Å; F88-F103 HydrophobicContact CB-CD1 3.47Å; F88-F103 VanDerWaalsContact CB-CD1 3.47Å; F88-F103 HydrophobicContact CB-CD2 4.26Å; F88-F103 HydrophobicContact CB-CE1 3.59Å; F88-F103 HydrophobicContact CB-CE2 4.37Å; F88-F103 HydrophobicContact CB-CG 3.82Å; F88-F103 HydrophobicContact CB-CZ 4.06Å; F88-F103 HydrophobicContact CD1-CB 3.54Å; F88-F103 HydrophobicContact CD1-CD1 4.15Å; F88-F103 HydrophobicContact CD1-CD2 4.03Å; F88-F103 AromaticContact CD1-CG 3.65Å; F88-F103 HydrophobicContact CD1-CG 3.65Å; F88-F103 HydrophobicContact CD2-CD2 4.07Å; F88-F103 HydrophobicContact CD2-CE2 4.16Å; F88-F103 HydrophobicContact CD2-CG 4.38Å; F88-F103 HydrophobicContact CE1-CB 4Å; F88-F103 HydrophobicContact CE1-CD2 4.43Å; F88-F103 HydrophobicContact CE1-CG 4.33Å; F88-F103 HydrophobicContact CE2-CD2 4.47Å; F88-F103 HydrophobicContact CG-CB 4.12Å; F88-F103 AromaticContact CG-CD1 3.9Å; F88-F103 HydrophobicContact CG-CD1 3.9Å; F88-F103 AromaticContact CG-CD2 3.85Å; F88-F103 HydrophobicContact CG-CD2 3.85Å; F88-F103 HydrophobicContact CG-CE1 4.24Å; F88-F103 HydrophobicContact CG-CE2 4.2Å; F88-F103 AromaticContact CG-CG 3.69Å; F88-F103 HydrophobicContact CG-CG 3.69Å; F88-F103 HydrophobicContact CG-CZ 4.38Å; A92-F103 CarbonylContact O-C 3.52Å; A92-F103 VanDerWaalsContact O-CA 3.27Å; A92-F103 WeakPolarHBondContact O-CA 3.31Å; K93-F103 HydrophobicContact CB-CD1 3.69Å; K93-F103 HydrophobicContact CB-CE1 3.62Å; K93-F103 HydrophobicContact CD-CE1 3.98Å; K93-F103 HydrophobicContact CD-CZ 4.18Å; K93-F103 HydrophobicContact CG-CD1 4.08Å; K93-F103 HydrophobicContact CG-CE1 3.78Å; K93-F103 HydrophobicContact CG-CZ 4.25Å; P101-F103 HydrophobicContact CB-CE2 3.81Å; P101-F103 HydrophobicContact CB-CZ 4.28Å; F103-Y151 PolarHBondContact N-O 3.32Å; F103-Y151 WeakPolarHBondContact O-CB 3.49Å; F103-Y151 WeakPolarHBondContact O-CD2 3.39Å; F103-Y151 PolarHBondContact O-N 2.98Å; F103-I153 HydrophobicContact CD2-CB 4.48Å; F103-I153 HydrophobicContact CD2-CG1 4.06Å; F103-I153 HydrophobicContact CE2-CB 4.31Å; F103-I153 HydrophobicContact CE2-CG1 4.34Å; F103-L158 HydrophobicContact CE2-CD1 4.01Å; F103-L158 HydrophobicContact CZ-CD1 4.16Å
104	N	97.6	Very high	94.9	Very high	34 Å²	34	44.6 Å²	44.6	18%	0.182	24%	0.24	C	C	.	.	S	Bend	trans	-89.7	-16.7	-178.1	64.6	29.8	0	0	0	113.6	A92 F94 P144 T147 L149	A92-N104 WeakPolarHBondContact CB-OD1 3.44Å; A92-N104 PolarHBondContact O-N 2.85Å; F94-N104 HydrophobicContact CD1-CB 4.01Å; F94-N104 HydrophobicContact CE1-CB 3.98Å; N104-P144 HydrophobicContact CB-CG 3.94Å; N104-T147 WeakPolarHBondContact O-CB 3.46Å; N104-T147 PolarHBondContact O-OG1 3.48Å; N104-L149 WeakPolarHBondContact CA-O 3.24Å
105	S	96.6	Very high	94.6	Very high	39 Å²	39	44.5 Å²	44.5	27%	0.273	24%	0.244	S	C	.	.	S	Bend	trans	-162	149.6	-176.3	52.9	0	0	0	0	110.9	F88 A92	F88-S105 WeakPolarHBondContact CD1-O 3.43Å; A92-S105 WeakPolarHBondContact CB-O 3.36Å
106	P	97.2	Very high	94.6	Very high	31 Å²	31	38.6 Å²	38.6	20%	0.201	22%	0.224	C	C	.	.			trans	-70.6	162	168	31.5	-34.3	0	0	0	111.3	F88 E108 L112	F88-P106 HydrophobicContact CE1-CB 4.37Å; P106-E108 VanDerWaalsContact C-N 3.3Å; P106-E108 PolarHBondContact O-N 3.43Å; P106-L112 HydrophobicContact CB-CD1 3.65Å; P106-L112 HydrophobicContact CB-CG 4.12Å; P106-L112 HydrophobicContact CG-CD1 4.3Å
107	I	95.7	Very high	94.6	Very high	55 Å²	55	38 Å²	38	28%	0.282	22%	0.219	S	C	.	.	S	Bend	trans	-65.6	-34.7	174.4	-161.7	174.9	0	0	0	112.3	I77 K86 L87	I77-I107 HydrophobicContact CD1-CD1 3.74Å; I77-I107 HydrophobicContact CG1-CD1 4.43Å; I77-I107 HydrophobicContact CG2-CD1 3.99Å; K86-I107 HydrophobicContact CB-CD1 4.09Å; K86-I107 HydrophobicContact CB-CG2 4.04Å; K86-I107 HydrophobicContact CD-CD1 4.29Å; K86-I107 WeakPolarHBondContact O-CG2 3.38Å; L87-I107 WeakPolarHBondContact O-CG2 3.36Å; L87-I107 PolarHBondContact O-N 2.95Å
108	E	91.2	Very high	94.5	Very high	120 Å²	120	36.6 Å²	36.6	56%	0.561	20%	0.204	S	C	*	.	S	Bend	trans	-141	144.5	179.6	-71.1	175.2	-162.4	0	0	109.2	P106 N110 S111	P106-E108 VanDerWaalsContact C-N 3.3Å; P106-E108 PolarHBondContact O-N 3.43Å; E108-N110 PolarHBondContact O-N 2.96Å; E108-N110 VanDerWaalsContact O-N 3.12Å; E108-S111 PolarHBondContact O-N 2.98Å; E108-S111 PolarHBondContact O-OG 2.93Å; E108-S111 VanDerWaalsContact O-OG 3.04Å
109	C	85.5	Confident	94.1	Very high	105 Å²	105	39.8 Å²	39.8	71%	0.709	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.3	-177.9	-62.3	0	0	0	0	113.9	L27	L27-C109 HydrophobicContact CD1-CB 4.37Å
110	N	88	Confident	93.3	Very high	73 Å²	73	42.6 Å²	42.6	39%	0.39	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	11.8	-177.4	-163	32.6	0	0	0	113.4	E108 L112 K130	E108-N110 PolarHBondContact O-N 2.96Å; E108-N110 VanDerWaalsContact O-N 3.12Å; N110-L112 VanDerWaalsContact C-N 3.29Å; N110-K130 WeakPolarHBondContact O-CB 3.19Å; N110-K130 WeakPolarHBondContact O-CG 3.19Å
111	S	93.8	Very high	92.5	Very high	13 Å²	13	42.7 Å²	42.7	9%	0.091	27%	0.265	C	S	.	.	S	Bend	trans	-79.2	-14.3	178	66.8	0	0	0	0	113.4	K86 E108 K130	K86-S111 WeakPolarHBondContact O-CB 3.49Å; E108-S111 PolarHBondContact O-N 2.98Å; E108-S111 PolarHBondContact O-OG 2.93Å; E108-S111 VanDerWaalsContact O-OG 3.04Å; S111-K130 WeakPolarHBondContact O-CB 3.31Å; S111-K130 PolarHBondContact O-N 2.8Å
112	L	95.4	Very high	91.8	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.094	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.4	-173.5	-55.3	-179.9	0	0	0	112.3	L87 F88 P106 N110 V127 S128 L136 Y151	L87-L112 HydrophobicContact CD2-CD2 3.86Å; F88-L112 HydrophobicContact CE1-CD1 4.1Å; F88-L112 HydrophobicContact CZ-CD1 3.82Å; F88-L112 HydrophobicContact CZ-CD2 4.28Å; P106-L112 HydrophobicContact CB-CD1 3.65Å; P106-L112 HydrophobicContact CB-CG 4.12Å; P106-L112 HydrophobicContact CG-CD1 4.3Å; N110-L112 VanDerWaalsContact C-N 3.29Å; L112-V127 HydrophobicContact CB-CG1 4.34Å; L112-V127 HydrophobicContact CD1-CG1 3.72Å; L112-V127 HydrophobicContact CD2-CG1 3.9Å; L112-V127 HydrophobicContact CG-CG1 4.21Å; L112-S128 CarbonylContact C-O 3.57Å; L112-S128 WeakPolarHBondContact CA-O 3.25Å; L112-L136 HydrophobicContact CD2-CD1 3.66Å; L112-Y151 HydrophobicContact CD1-CD1 3.94Å; L112-Y151 HydrophobicContact CD1-CE1 3.68Å
113	I	94.4	Very high	91.4	Very high	12 Å²	12	50 Å²	50	6%	0.062	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.2	165.8	-59.8	148	0	0	0	107	N35 S128 K130	N35-I113 WeakPolarHBondContact ND2-CD1 3.33Å; N35-I113 WeakPolarHBondContact ND2-CG1 3.49Å; I113-S128 PolarHBondContact N-O 3.48Å; I113-S128 PolarHBondContact O-N 2.83Å; I113-K130 HydrophobicContact CD1-CD 4.19Å; I113-K130 HydrophobicContact CG1-CB 4.29Å; I113-K130 HydrophobicContact CG1-CD 3.77Å
114	L	94.7	Very high	91.2	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.058	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.9	173	-57.2	-172.7	0	0	0	109.6	L20 L21 S24 V125 E126 V127 V139 Y151	L20-L114 HydrophobicContact CD1-CD1 3.9Å; L20-L114 HydrophobicContact CD2-CD1 3.56Å; L20-L114 HydrophobicContact CG-CD1 3.44Å; L20-L114 VanDerWaalsContact CG-CD1 3.44Å; L21-L114 HydrophobicContact CD2-CB 4.02Å; S24-L114 WeakPolarHBondContact OG-CD1 3.42Å; L114-V125 HydrophobicContact CB-CG1 3.86Å; L114-V125 HydrophobicContact CD2-CG1 4.39Å; L114-E126 WeakPolarHBondContact CA-O 3.19Å; L114-V127 HydrophobicContact CD2-CB 4.32Å; L114-V127 HydrophobicContact CD2-CG1 4.36Å; L114-V127 HydrophobicContact CD2-CG2 3.76Å; L114-V139 HydrophobicContact CD2-CG1 4.29Å; L114-Y151 HydrophobicContact CD2-CE1 4.46Å
115	S	92.8	Very high	91.1	Very high	40 Å²	40	51.2 Å²	51.2	28%	0.28	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.8	-179.9	50.1	0	0	0	0	111.8	D117 V125 E126	S115-D117 PolarHBondContact O-N 3.04Å; S115-V125 CarbonylContact O-C 3.49Å; S115-V125 WeakPolarHBondContact O-CA 3.45Å; S115-E126 PolarHBondContact N-O 3.47Å; S115-E126 VanDerWaalsContact N-O 3.1Å; S115-E126 PolarHBondContact O-N 2.81Å
116	I	92.7	Very high	91.1	Very high	56 Å²	56	49.5 Å²	49.5	29%	0.287	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	129.9	173.9	-59.3	-60.5	0	0	0	109.6	L13 L21 L118 V123 V125	L13-I116 HydrophobicContact CD1-CD1 3.64Å; L21-I116 HydrophobicContact CD1-CD1 3.46Å; L21-I116 VanDerWaalsContact CD1-CD1 3.46Å; L21-I116 HydrophobicContact CD2-CD1 4.49Å; I116-L118 HydrophobicContact CG2-CD2 3.73Å; I116-L118 HydrophobicContact CG2-CG 3.93Å; I116-V123 HydrophobicContact CG2-CG1 4.09Å; I116-V125 HydrophobicContact CD1-CG2 4.24Å
117	D	93.5	Very high	91.1	Very high	16 Å²	16	48 Å²	48	9%	0.086	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125	172.1	173.4	27	0	0	0	109.9	S115 S119 R124 E126 H138	S115-D117 PolarHBondContact O-N 3.04Å; D117-S119 WeakPolarHBondContact OD1-CB 3.5Å; D117-S119 PolarHBondContact OD1-N 2.79Å; D117-S119 PolarHBondContact OD1-OG 3.05Å; D117-S119 PolarHBondContact OD2-OG 2.87Å; D117-R124 HydrophobicContact CB-CB 4.47Å; D117-R124 PolarHBondContact N-O 3.14Å; D117-R124 PolarHBondContact O-N 2.83Å; D117-R124 IonicContact OD2-CZ 3.45Å; D117-R124 IonicContact OD2-NE 3.44Å; D117-R124 PolarHBondContact OD2-NE 2.89Å; D117-R124 IonicContact OD2-NH2 2.74Å; D117-R124 PolarHBondContact OD2-NH2 3.14Å; D117-E126 HydrophobicContact CB-CB 4.03Å; D117-H138 IonicContact OD2-CD2 3.79Å; D117-H138 IonicContact OD2-CE1 3.65Å; D117-H138 IonicContact OD2-NE2 3.83Å; D117-H138 PolarHBondContact OD2-NE2 3.21Å
118	L	89.9	Confident	91.2	Very high	58 Å²	58	45.5 Å²	45.5	30%	0.304	27%	0.268	S	S	.	.			trans	-117.8	5.7	-179.6	-54.7	174.3	0	0	0	112.2	M1 L6 I116 S120 G121 V123	M1-L118 HydrophobicContact SD-CD1 4.32Å; L6-L118 HydrophobicContact CD1-CD1 3.4Å; L6-L118 VanDerWaalsContact CD1-CD1 3.4Å; I116-L118 HydrophobicContact CG2-CD2 3.73Å; I116-L118 HydrophobicContact CG2-CG 3.93Å; L118-S120 VanDerWaalsContact C-N 3.25Å; L118-S120 PolarHBondContact O-N 2.91Å; L118-G121 PolarHBondContact O-N 3.17Å; L118-V123 HydrophobicContact CD2-CB 4.25Å; L118-V123 HydrophobicContact CD2-CG1 4.05Å; L118-V123 HydrophobicContact CD2-CG2 3.82Å
119	S	86.4	Confident	91.5	Very high	98 Å²	98	39.8 Å²	39.8	69%	0.685	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.9	-170.9	59.2	0	0	0	0	113.9	D117	D117-S119 WeakPolarHBondContact OD1-CB 3.5Å; D117-S119 PolarHBondContact OD1-N 2.79Å; D117-S119 PolarHBondContact OD1-OG 3.05Å; D117-S119 PolarHBondContact OD2-OG 2.87Å
120	S	80.8	Confident	91.9	Very high	59 Å²	59	36.4 Å²	36.4	41%	0.413	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	4.1	-179.9	63.6	0	0	0	0	114.3	L118 E122 R124	L118-S120 VanDerWaalsContact C-N 3.25Å; L118-S120 PolarHBondContact O-N 2.91Å; S120-E122 PolarHBondContact O-N 3.17Å; S120-R124 PolarHBondContact OG-NE 3.26Å
121	G	81.4	Confident	92.2	Very high	57 Å²	57	34.8 Å²	34.8	59%	0.588	22%	0.215	S	C	*	.	S	Bend	trans	80.1	-11.7	-173.3	0	0	0	0	0	114.5	L118	L118-G121 PolarHBondContact O-N 3.17Å
122	E	84.3	Confident	92.3	Very high	137 Å²	137	34.3 Å²	34.3	64%	0.64	21%	0.211	S	C	*	.	S	Bend	trans	-104.6	150.6	170.5	-64.5	179.4	157.2	0	0	110	S120 R124	S120-E122 PolarHBondContact O-N 3.17Å; E122-R124 PolarHBondContact O-N 3.23Å
123	V	89.2	Confident	92.3	Very high	19 Å²	19	36.6 Å²	36.6	12%	0.115	22%	0.224	C	C	.	.			trans	-84.2	114	177	-169.1	0	0	0	0	109.1	Q9 L13 I116 L118	Q9-V123 HydrophobicContact CB-CG2 3.52Å; Q9-V123 HydrophobicContact CG-CG2 3.94Å; Q9-V123 WeakPolarHBondContact O-CG2 3.49Å; L13-V123 HydrophobicContact CD1-CG1 3.99Å; L13-V123 HydrophobicContact CD2-CB 4.26Å; L13-V123 HydrophobicContact CD2-CG1 3.8Å; L13-V123 HydrophobicContact CG-CG1 3.83Å; I116-V123 HydrophobicContact CG2-CG1 4.09Å; L118-V123 HydrophobicContact CD2-CB 4.25Å; L118-V123 HydrophobicContact CD2-CG1 4.05Å; L118-V123 HydrophobicContact CD2-CG2 3.82Å
124	R	93.9	Very high	92.5	Very high	56 Å²	56	36 Å²	36	21%	0.211	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	165.7	175.7	-57.7	-179.1	-61.4	178.6	3.4	109.7	D117 S120 E122	D117-R124 HydrophobicContact CB-CB 4.47Å; D117-R124 PolarHBondContact N-O 3.14Å; D117-R124 PolarHBondContact O-N 2.83Å; D117-R124 IonicContact OD2-CZ 3.45Å; D117-R124 IonicContact OD2-NE 3.44Å; D117-R124 PolarHBondContact OD2-NE 2.89Å; D117-R124 IonicContact OD2-NH2 2.74Å; D117-R124 PolarHBondContact OD2-NH2 3.14Å; S120-R124 PolarHBondContact OG-NE 3.26Å; E122-R124 PolarHBondContact O-N 3.23Å
125	V	95.3	Very high	92.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	109.5	170.5	178.4	0	0	0	0	108.6	L13 I17 L21 L114 S115 I116 H138 V139	L13-V125 HydrophobicContact CD1-CG2 4.38Å; L13-V125 HydrophobicContact CD2-CG2 4.49Å; I17-V125 HydrophobicContact CG2-CB 4.34Å; I17-V125 HydrophobicContact CG2-CG2 3.35Å; L21-V125 HydrophobicContact CD1-CG2 3.86Å; L21-V125 HydrophobicContact CD2-CG1 3.78Å; L21-V125 HydrophobicContact CD2-CG2 4.11Å; L21-V125 HydrophobicContact CG-CG1 4.49Å; L21-V125 HydrophobicContact CG-CG2 4.16Å; L114-V125 HydrophobicContact CB-CG1 3.86Å; L114-V125 HydrophobicContact CD2-CG1 4.39Å; S115-V125 CarbonylContact O-C 3.49Å; S115-V125 WeakPolarHBondContact O-CA 3.45Å; I116-V125 HydrophobicContact CD1-CG2 4.24Å; V125-H138 CarbonylContact O-C 3.53Å; V125-H138 WeakPolarHBondContact O-CA 3.46Å; V125-H138 WeakPolarHBondContact O-CB 3.49Å; V125-H138 PolarHBondContact O-CD2 2.91Å; V125-V139 HydrophobicContact CB-CG1 3.68Å; V125-V139 HydrophobicContact CG1-CG1 3.57Å; V125-V139 PolarHBondContact O-N 2.6Å
126	E	96.9	Very high	92.9	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.019	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	140.5	173	175.9	176.2	-153	0	0	110.1	K59 L114 S115 D117 H135	K59-E126 VanDerWaalsContact CD-OE1 3.24Å; K59-E126 WeakPolarHBondContact CD-OE1 3.24Å; K59-E126 VanDerWaalsContact CE-OE1 3.22Å; K59-E126 WeakPolarHBondContact CE-OE1 3.35Å; K59-E126 IonicContact NZ-OE1 3.62Å; K59-E126 PolarHBondContact NZ-OE1 2.89Å; K59-E126 IonicContact NZ-OE2 2.8Å; K59-E126 PolarHBondContact NZ-OE2 2.93Å; L114-E126 WeakPolarHBondContact CA-O 3.19Å; S115-E126 PolarHBondContact N-O 3.47Å; S115-E126 VanDerWaalsContact N-O 3.1Å; S115-E126 PolarHBondContact O-N 2.81Å; D117-E126 HydrophobicContact CB-CB 4.03Å; E126-H135 IonicContact OE1-CE1 2.69Å; E126-H135 IonicContact OE1-CG 2.79Å; E126-H135 IonicContact OE1-ND1 3.99Å; E126-H135 PolarHBondContact OE1-ND1 2.77Å
127	V	97.8	Very high	93.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.4	172.9	-179	0	0	0	0	107.7	L112 L114 L136 G137 V139 Y151 I153	L112-V127 HydrophobicContact CB-CG1 4.34Å; L112-V127 HydrophobicContact CD1-CG1 3.72Å; L112-V127 HydrophobicContact CD2-CG1 3.9Å; L112-V127 HydrophobicContact CG-CG1 4.21Å; L114-V127 HydrophobicContact CD2-CB 4.32Å; L114-V127 HydrophobicContact CD2-CG1 4.36Å; L114-V127 HydrophobicContact CD2-CG2 3.76Å; V127-L136 HydrophobicContact CG1-CB 4.39Å; V127-L136 HydrophobicContact CG1-CD1 4.17Å; V127-L136 VanDerWaalsContact O-CB 3.31Å; V127-L136 WeakPolarHBondContact O-CB 3.06Å; V127-L136 PolarHBondContact O-N 2.92Å; V127-G137 PolarHBondContact N-O 3.17Å; V127-G137 PolarHBondContact O-N 3.04Å; V127-V139 HydrophobicContact CG2-CB 3.82Å; V127-V139 HydrophobicContact CG2-CG1 4.06Å; V127-Y151 HydrophobicContact CG1-CD1 4.3Å; V127-Y151 HydrophobicContact CG2-CD1 3.93Å; V127-Y151 HydrophobicContact CG2-CE1 4.32Å; V127-I153 HydrophobicContact CB-CD1 4.26Å; V127-I153 HydrophobicContact CG1-CD1 4.11Å
128	S	97.3	Very high	93.4	Very high	2 Å²	2	31 Å²	31	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.2	176.2	-63	0	0	0	0	111.4	L112 I113 K130 A134	L112-S128 CarbonylContact C-O 3.57Å; L112-S128 WeakPolarHBondContact CA-O 3.25Å; I113-S128 PolarHBondContact N-O 3.48Å; I113-S128 PolarHBondContact O-N 2.83Å; S128-K130 PolarHBondContact O-N 3.36Å; S128-A134 CarbonylContact C-O 3.56Å; S128-A134 VanDerWaalsContact CA-O 3.25Å; S128-A134 WeakPolarHBondContact CA-O 3.17Å
129	C	97.3	Very high	93.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.8	176.7	176.8	0	0	0	0	111	C80 C83 L87 G131 C132 N133 A134 L136	C80-C129 HydrophobicContact CB-CB 4.49Å; C83-C129 PolarHBondContact SG-SG 3.21Å; L87-C129 HydrophobicContact CD2-CB 4.3Å; C129-G131 VanDerWaalsContact C-N 3.32Å; C129-G131 PolarHBondContact O-N 3.47Å; C129-C132 PolarHBondContact O-N 3.02Å; C129-N133 VanDerWaalsContact O-CA 3.22Å; C129-N133 WeakPolarHBondContact O-CA 3.46Å; C129-N133 PolarHBondContact O-N 2.92Å; C129-A134 HydrophobicContact CB-CB 4.26Å; C129-A134 PolarHBondContact N-O 2.82Å; C129-L136 HydrophobicContact CB-CD1 4.18Å; C129-L136 HydrophobicContact CB-CD2 4.38Å; C129-L136 HydrophobicContact CB-CG 4.43Å
130	K	94.1	Very high	94.2	Very high	33 Å²	33	26.8 Å²	26.8	14%	0.143	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-38.1	178.2	-179.1	63.3	173.8	164.4	0	113.6	N35 N110 S111 I113 S128 C132	N35-K130 PolarHBondContact OD1-NZ 3.01Å; N110-K130 WeakPolarHBondContact O-CB 3.19Å; N110-K130 WeakPolarHBondContact O-CG 3.19Å; S111-K130 WeakPolarHBondContact O-CB 3.31Å; S111-K130 PolarHBondContact O-N 2.8Å; I113-K130 HydrophobicContact CD1-CD 4.19Å; I113-K130 HydrophobicContact CG1-CB 4.29Å; I113-K130 HydrophobicContact CG1-CD 3.77Å; S128-K130 PolarHBondContact O-N 3.36Å; K130-C132 PolarHBondContact O-N 3.12Å
131	G	93.9	Very high	94.9	Very high	40 Å²	40	27.1 Å²	27.1	41%	0.412	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.6	-174	0	0	0	0	0	115.9	C129	C129-G131 VanDerWaalsContact C-N 3.32Å; C129-G131 PolarHBondContact O-N 3.47Å
132	C	96.1	Very high	95.6	Very high	2 Å²	2	29 Å²	29	1%	0.014	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-152	5.6	-177.4	65.2	0	0	0	0	115.3	S37 F39 V82 C83 C129 K130 A134	S37-C132 WeakPolarHBondContact CA-O 3.23Å; S37-C132 WeakPolarHBondContact CB-O 3.28Å; S37-C132 PolarHBondContact OG-O 3.01Å; F39-C132 HydrophobicContact CD2-CB 4.12Å; F39-C132 HydrophobicContact CE2-CB 3.95Å; V82-C132 HydrophobicContact CG1-CB 4.16Å; C83-C132 HydrophobicContact CB-CB 3.81Å; C83-C132 PolarHBondContact SG-SG 3.08Å; C129-C132 PolarHBondContact O-N 3.02Å; K130-C132 PolarHBondContact O-N 3.12Å; C132-A134 PolarHBondContact O-N 3.48Å; C132-A134 VanDerWaalsContact SG-CB 3.53Å
133	N	96	Very high	96.2	Very high	66 Å²	66	23.3 Å²	23.3	35%	0.353	13%	0.13	S	C	.	.			trans	59.1	15.6	-179.1	-155.9	29.1	0	0	0	115.5	N35 C129 H135	N35-N133 WeakPolarHBondContact O-CB 3.46Å; N35-N133 PolarHBondContact O-ND2 2.83Å; N35-N133 VanDerWaalsContact O-ND2 3.1Å; C129-N133 VanDerWaalsContact O-CA 3.22Å; C129-N133 WeakPolarHBondContact O-CA 3.46Å; C129-N133 PolarHBondContact O-N 2.92Å; N133-H135 PolarHBondContact O-N 3.31Å
134	A	98	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.			trans	-60.5	129.6	174	0	0	0	0	0	110.5	T56 V82 S128 C129 C132 L136	T56-A134 HydrophobicContact CG2-CB 4.37Å; T56-A134 WeakPolarHBondContact O-CA 2.92Å; V82-A134 HydrophobicContact CB-CB 4.2Å; V82-A134 HydrophobicContact CG2-CB 3.73Å; S128-A134 CarbonylContact C-O 3.56Å; S128-A134 VanDerWaalsContact CA-O 3.25Å; S128-A134 WeakPolarHBondContact CA-O 3.17Å; C129-A134 HydrophobicContact CB-CB 4.26Å; C129-A134 PolarHBondContact N-O 2.82Å; C132-A134 PolarHBondContact O-N 3.48Å; C132-A134 VanDerWaalsContact SG-CB 3.53Å; A134-L136 PolarHBondContact O-N 2.93Å
135	H	98.1	Very high	96.6	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.014	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	132.7	169.9	175	77.6	0	0	0	110.2	V55 T56 K59 E126 N133 G137 H138	V55-H135 WeakPolarHBondContact O-CB 3.31Å; V55-H135 PolarHBondContact O-CD2 2.96Å; T56-H135 PolarHBondContact O-N 3.06Å; K59-H135 HydrophobicContact CB-CB 4.38Å; K59-H135 HydrophobicContact CG-CB 4.08Å; E126-H135 IonicContact OE1-CE1 2.69Å; E126-H135 IonicContact OE1-CG 2.79Å; E126-H135 IonicContact OE1-ND1 3.99Å; E126-H135 PolarHBondContact OE1-ND1 2.77Å; N133-H135 PolarHBondContact O-N 3.31Å; H135-G137 PolarHBondContact CE1-O 2.55Å; H135-H138 AromaticContact CE1-CE1 3.8Å
136	L	98.5	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-41.6	178.9	-55.3	174.8	0	0	0	111.2	L87 L112 V127 C129 A134 I153 N154 A157	L87-L136 HydrophobicContact CD1-CD1 3.65Å; L87-L136 HydrophobicContact CD1-CD2 3.79Å; L87-L136 HydrophobicContact CD1-CG 4.38Å; L87-L136 HydrophobicContact CD2-CD1 4.11Å; L87-L136 HydrophobicContact CG-CD1 4.44Å; L112-L136 HydrophobicContact CD2-CD1 3.66Å; V127-L136 HydrophobicContact CG1-CB 4.39Å; V127-L136 HydrophobicContact CG1-CD1 4.17Å; V127-L136 VanDerWaalsContact O-CB 3.31Å; V127-L136 WeakPolarHBondContact O-CB 3.06Å; V127-L136 PolarHBondContact O-N 2.92Å; C129-L136 HydrophobicContact CB-CD1 4.18Å; C129-L136 HydrophobicContact CB-CD2 4.38Å; C129-L136 HydrophobicContact CB-CG 4.43Å; A134-L136 PolarHBondContact O-N 2.93Å; L136-I153 HydrophobicContact CB-CD1 4.02Å; L136-I153 HydrophobicContact CB-CG2 4.05Å; L136-N154 PolarHBondContact O-N 2.94Å; L136-N154 PolarHBondContact O-ND2 2.77Å; L136-A157 HydrophobicContact CD2-CB 3.92Å
137	G	98.3	Very high	96.4	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-139.2	-178.6	0	0	0	0	0	111.1	V127 H135 C152	V127-G137 PolarHBondContact N-O 3.17Å; V127-G137 PolarHBondContact O-N 3.04Å; H135-G137 PolarHBondContact CE1-O 2.55Å; G137-C152 WeakPolarHBondContact CA-O 3.37Å
138	H	97.7	Very high	96.4	Very high	13 Å²	13	39.2 Å²	39.2	6%	0.06	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.4	-176.9	-63	85.1	0	0	0	112	D117 V125 H135 F140 C152	D117-H138 IonicContact OD2-CD2 3.79Å; D117-H138 IonicContact OD2-CE1 3.65Å; D117-H138 IonicContact OD2-NE2 3.83Å; D117-H138 PolarHBondContact OD2-NE2 3.21Å; V125-H138 CarbonylContact O-C 3.53Å; V125-H138 WeakPolarHBondContact O-CA 3.46Å; V125-H138 WeakPolarHBondContact O-CB 3.49Å; V125-H138 PolarHBondContact O-CD2 2.91Å; H135-H138 AromaticContact CE1-CE1 3.8Å; H138-F140 HydrophobicContact CB-CE2 3.73Å; H138-F140 HydrophobicContact CB-CZ 3.82Å; H138-C152 PolarHBondContact N-O 3.43Å; H138-C152 PolarHBondContact O-N 2.93Å
139	V	97.6	Very high	96.4	Very high	4 Å²	4	40 Å²	40	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.9	173.7	62.2	0	0	0	0	110.9	I17 L20 L114 V125 V127 L149 R150 Y151	I17-V139 HydrophobicContact CD1-CG2 4.49Å; L20-V139 HydrophobicContact CD2-CG1 4.05Å; L20-V139 HydrophobicContact CD2-CG2 4.04Å; L114-V139 HydrophobicContact CD2-CG1 4.29Å; V125-V139 HydrophobicContact CB-CG1 3.68Å; V125-V139 HydrophobicContact CG1-CG1 3.57Å; V125-V139 PolarHBondContact O-N 2.6Å; V127-V139 HydrophobicContact CG2-CB 3.82Å; V127-V139 HydrophobicContact CG2-CG1 4.06Å; V139-L149 HydrophobicContact CG2-CB 4.37Å; V139-L149 HydrophobicContact CG2-CD2 4.13Å; V139-R150 WeakPolarHBondContact CA-O 3.35Å; V139-Y151 HydrophobicContact CB-CD1 4.1Å; V139-Y151 HydrophobicContact CB-CE1 4.15Å; V139-Y151 HydrophobicContact CG2-CD1 4.12Å; V139-Y151 HydrophobicContact CG2-CD2 4.3Å; V139-Y151 HydrophobicContact CG2-CE1 3.99Å; V139-Y151 HydrophobicContact CG2-CE2 4.17Å; V139-Y151 HydrophobicContact CG2-CG 4.27Å
140	F	96.7	Very high	96.4	Very high	64 Å²	64	41 Å²	41	28%	0.281	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	164	179.7	-56.1	-87.7	0	0	0	110.2	H138 D142 L149 R150 C152	H138-F140 HydrophobicContact CB-CE2 3.73Å; H138-F140 HydrophobicContact CB-CZ 3.82Å; F140-D142 VanDerWaalsContact CB-OD1 3.31Å; F140-D142 WeakPolarHBondContact CB-OD1 3.44Å; F140-L149 CarbonylContact O-C 3.52Å; F140-L149 WeakPolarHBondContact O-CA 3.39Å; F140-R150 HydrophobicContact CB-CB 4.47Å; F140-R150 PolarHBondContact N-O 3.2Å; F140-R150 PolarHBondContact O-N 3.44Å; F140-C152 HydrophobicContact CD2-CB 3.95Å; F140-C152 HydrophobicContact CE2-CB 3.71Å
141	D	95.2	Very high	96.6	Very high	65 Å²	65	39.9 Å²	39.9	35%	0.348	22%	0.224	S	C	.	.	S	Bend	trans	-104	17.1	-177	67.2	-29.2	0	0	0	114.5	S14 R16 I17 G148	S14-D141 WeakPolarHBondContact CB-OD2 3.49Å; S14-D141 VanDerWaalsContact OG-CG 3.26Å; S14-D141 PolarHBondContact OG-OD2 3.31Å; R16-D141 HydrophobicContact CB-CB 4.37Å; R16-D141 PolarHBondContact NH1-O 3.42Å; I17-D141 HydrophobicContact CD1-CB 4.14Å; I17-D141 HydrophobicContact CG1-CB 4Å; D141-G148 CarbonylContact C-O 3.54Å; D141-G148 VanDerWaalsContact CA-O 3.24Å; D141-G148 WeakPolarHBondContact CA-O 3.18Å
142	D	96.2	Very high	96.8	Very high	98 Å²	98	38.7 Å²	38.7	52%	0.524	21%	0.209	S	C	.	.			trans	-99.9	18.8	178.2	66.6	-12.9	0	0	0	112.7	F140 R150	F140-D142 VanDerWaalsContact CB-OD1 3.31Å; F140-D142 WeakPolarHBondContact CB-OD1 3.44Å; D142-R150 WeakPolarHBondContact OD1-CB 3.32Å; D142-R150 IonicContact OD1-CZ 3.37Å; D142-R150 IonicContact OD1-NE 2.76Å; D142-R150 PolarHBondContact OD1-NE 3.33Å; D142-R150 IonicContact OD1-NH2 3.18Å; D142-R150 PolarHBondContact OD1-NH2 3.12Å; D142-R150 IonicContact OD2-CZ 3.39Å; D142-R150 IonicContact OD2-NE 3.21Å; D142-R150 PolarHBondContact OD2-NE 3.11Å; D142-R150 IonicContact OD2-NH2 2.75Å; D142-R150 PolarHBondContact OD2-NH2 3.25Å
143	G	96.4	Very high	97	Very high	16 Å²	16	38.6 Å²	38.6	17%	0.165	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-78.4	173.6	179.6	0	0	0	0	0	114.3	G148 L149	G143-G148 PolarHBondContact N-O 3.08Å; G143-G148 WeakPolarHBondContact O-CA 3.27Å; G143-L149 WeakPolarHBondContact CA-O 3.42Å
144	P	96.7	Very high	97.1	Very high	46 Å²	46	35.6 Å²	35.6	30%	0.299	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-70	156.3	176.4	31	-35.7	0	0	0	111.7	F94 N104 G148	F94-P144 HydrophobicContact CD1-CG 3.87Å; F94-P144 HydrophobicContact CD2-CG 4.22Å; F94-P144 VanDerWaalsContact CE1-CD 3.47Å; F94-P144 HydrophobicContact CE1-CG 3.9Å; F94-P144 HydrophobicContact CE2-CG 4.29Å; F94-P144 HydrophobicContact CG-CG 4.03Å; F94-P144 HydrophobicContact CZ-CG 4.11Å; N104-P144 HydrophobicContact CB-CG 3.94Å; P144-G148 VanDerWaalsContact O-CA 3.29Å; P144-G148 WeakPolarHBondContact O-CA 3.49Å; P144-G148 PolarHBondContact O-N 3.08Å
145	K	95.4	Very high	97.1	Very high	197 Å²	197	35.6 Å²	35.6	86%	0.857	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	152.3	166.5	-72.4	-174.5	-179.5	-179.7	0	110.4
146	P	93.7	Very high	97.1	Very high	124 Å²	124	36 Å²	36	81%	0.805	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85.7	-23.9	6.3	33	-35.1	0	0	0	114.5	G148	P146-G148 VanDerWaalsContact C-N 3.32Å; P146-G148 PolarHBondContact O-N 2.99Å
147	T	94.5	Very high	97.1	Very high	46 Å²	46	36 Å²	36	28%	0.282	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-36.6	-175.3	63.9	0	0	0	0	111.5	R16 N104 L149	R16-T147 WeakPolarHBondContact CD-O 3.37Å; R16-T147 PolarHBondContact NE-O 2.65Å; N104-T147 WeakPolarHBondContact O-CB 3.46Å; N104-T147 PolarHBondContact O-OG1 3.48Å; T147-L149 PolarHBondContact O-N 3.39Å; T147-L149 PolarHBondContact OG1-N 2.78Å
148	G	96.5	Very high	97.1	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.031	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	21.2	-170.3	0	0	0	0	0	112.3	R16 D141 G143 P144 P146	R16-G148 PolarHBondContact NH1-O 2.88Å; D141-G148 CarbonylContact C-O 3.54Å; D141-G148 VanDerWaalsContact CA-O 3.24Å; D141-G148 WeakPolarHBondContact CA-O 3.18Å; G143-G148 PolarHBondContact N-O 3.08Å; G143-G148 WeakPolarHBondContact O-CA 3.27Å; P144-G148 VanDerWaalsContact O-CA 3.29Å; P144-G148 WeakPolarHBondContact O-CA 3.49Å; P144-G148 PolarHBondContact O-N 3.08Å; P146-G148 VanDerWaalsContact C-N 3.32Å; P146-G148 PolarHBondContact O-N 2.99Å
149	L	97.6	Very high	97.1	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.089	21%	0.208	C	C	.	.			trans	-110.4	142.6	-179.5	-67.6	174.6	0	0	0	110.2	R16 I17 L20 N104 V139 F140 G143 T147 Y151	R16-L149 HydrophobicContact CG-CD2 3.9Å; I17-L149 HydrophobicContact CD1-CD2 3.97Å; L20-L149 HydrophobicContact CD1-CD1 4.13Å; L20-L149 HydrophobicContact CD2-CD1 3.9Å; L20-L149 HydrophobicContact CD2-CD2 4.02Å; N104-L149 WeakPolarHBondContact CA-O 3.24Å; V139-L149 HydrophobicContact CG2-CB 4.37Å; V139-L149 HydrophobicContact CG2-CD2 4.13Å; F140-L149 CarbonylContact O-C 3.52Å; F140-L149 WeakPolarHBondContact O-CA 3.39Å; G143-L149 WeakPolarHBondContact CA-O 3.42Å; T147-L149 PolarHBondContact O-N 3.39Å; T147-L149 PolarHBondContact OG1-N 2.78Å; L149-Y151 HydrophobicContact CB-CE2 4.05Å; L149-Y151 HydrophobicContact CD1-CE2 4.22Å
150	R	98	Very high	97.2	Very high	22 Å²	22	39.6 Å²	39.6	8%	0.083	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	105.1	172.7	178	168.6	62.6	82.8	4.9	109.4	F94 C96 A102 V139 F140 D142 C152	F94-R150 HydrophobicContact CE1-CG 4.46Å; F94-R150 HydrophobicContact CE2-CG 4.5Å; F94-R150 HydrophobicContact CZ-CB 3.94Å; F94-R150 HydrophobicContact CZ-CG 3.67Å; C96-R150 WeakPolarHBondContact SG-CD 3.42Å; A102-R150 HydrophobicContact CB-CG 4.07Å; V139-R150 WeakPolarHBondContact CA-O 3.35Å; F140-R150 HydrophobicContact CB-CB 4.47Å; F140-R150 PolarHBondContact N-O 3.2Å; F140-R150 PolarHBondContact O-N 3.44Å; D142-R150 WeakPolarHBondContact OD1-CB 3.32Å; D142-R150 IonicContact OD1-CZ 3.37Å; D142-R150 IonicContact OD1-NE 2.76Å; D142-R150 PolarHBondContact OD1-NE 3.33Å; D142-R150 IonicContact OD1-NH2 3.18Å; D142-R150 PolarHBondContact OD1-NH2 3.12Å; D142-R150 IonicContact OD2-CZ 3.39Å; D142-R150 IonicContact OD2-NE 3.21Å; D142-R150 PolarHBondContact OD2-NE 3.11Å; D142-R150 IonicContact OD2-NH2 2.75Å; D142-R150 PolarHBondContact OD2-NH2 3.25Å; R150-C152 PolarHBondContact NH1-SG 2.84Å; R150-C152 VanDerWaalsContact NH1-SG 3.43Å; R150-C152 PolarHBondContact O-N 3.34Å
151	Y	98.3	Very high	97.2	Very high	10 Å²	10	40 Å²	40	4%	0.039	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	102.5	166.4	-65.8	-96.1	0	0	0	107.8	F88 A102 F103 L112 L114 V127 V139 L149	F88-Y151 HydrophobicContact CE1-CD1 4.02Å; F88-Y151 HydrophobicContact CE1-CD2 4.45Å; F88-Y151 AromaticContact CE1-CG 3.84Å; F88-Y151 HydrophobicContact CE1-CG 3.84Å; F88-Y151 HydrophobicContact CZ-CD1 4.12Å; F88-Y151 HydrophobicContact CZ-CG 4.25Å; A102-Y151 VanDerWaalsContact CA-O 3.31Å; A102-Y151 WeakPolarHBondContact CA-O 3.41Å; F103-Y151 PolarHBondContact N-O 3.32Å; F103-Y151 WeakPolarHBondContact O-CB 3.49Å; F103-Y151 WeakPolarHBondContact O-CD2 3.39Å; F103-Y151 PolarHBondContact O-N 2.98Å; L112-Y151 HydrophobicContact CD1-CD1 3.94Å; L112-Y151 HydrophobicContact CD1-CE1 3.68Å; L114-Y151 HydrophobicContact CD2-CE1 4.46Å; V127-Y151 HydrophobicContact CG1-CD1 4.3Å; V127-Y151 HydrophobicContact CG2-CD1 3.93Å; V127-Y151 HydrophobicContact CG2-CE1 4.32Å; V139-Y151 HydrophobicContact CB-CD1 4.1Å; V139-Y151 HydrophobicContact CB-CE1 4.15Å; V139-Y151 HydrophobicContact CG2-CD1 4.12Å; V139-Y151 HydrophobicContact CG2-CD2 4.3Å; V139-Y151 HydrophobicContact CG2-CE1 3.99Å; V139-Y151 HydrophobicContact CG2-CE2 4.17Å; V139-Y151 HydrophobicContact CG2-CG 4.27Å; L149-Y151 HydrophobicContact CB-CE2 4.05Å; L149-Y151 HydrophobicContact CD1-CE2 4.22Å
152	C	98.1	Very high	97.2	Very high	14 Å²	14	38.4 Å²	38.4	10%	0.095	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106.3	179.4	-170.4	0	0	0	0	108.6	G137 H138 F140 R150	G137-C152 WeakPolarHBondContact CA-O 3.37Å; H138-C152 PolarHBondContact N-O 3.43Å; H138-C152 PolarHBondContact O-N 2.93Å; F140-C152 HydrophobicContact CD2-CB 3.95Å; F140-C152 HydrophobicContact CE2-CB 3.71Å; R150-C152 PolarHBondContact NH1-SG 2.84Å; R150-C152 VanDerWaalsContact NH1-SG 3.43Å; R150-C152 PolarHBondContact O-N 3.34Å
153	I	98.6	Very high	96.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136	-164.2	-54.4	-60.1	0	0	0	110.6	F88 P101 F103 V127 L136 S155 L158	F88-I153 HydrophobicContact CE2-CD1 4.06Å; F88-I153 HydrophobicContact CE2-CG1 3.76Å; F88-I153 HydrophobicContact CZ-CD1 3.92Å; F88-I153 HydrophobicContact CZ-CG1 3.86Å; P101-I153 WeakPolarHBondContact CD-O 3.49Å; P101-I153 WeakPolarHBondContact CG-O 3.37Å; P101-I153 PolarHBondContact O-N 3.28Å; F103-I153 HydrophobicContact CD2-CB 4.48Å; F103-I153 HydrophobicContact CD2-CG1 4.06Å; F103-I153 HydrophobicContact CE2-CB 4.31Å; F103-I153 HydrophobicContact CE2-CG1 4.34Å; V127-I153 HydrophobicContact CB-CD1 4.26Å; V127-I153 HydrophobicContact CG1-CD1 4.11Å; L136-I153 HydrophobicContact CB-CD1 4.02Å; L136-I153 HydrophobicContact CB-CG2 4.05Å; I153-S155 PolarHBondContact O-N 2.95Å; I153-L158 HydrophobicContact CB-CD1 4.38Å; I153-L158 HydrophobicContact CG2-CD1 3.7Å; I153-L158 HydrophobicContact CG2-CD2 4.01Å; I153-L158 HydrophobicContact CG2-CG 3.86Å
154	N	98.7	Very high	95.7	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	23%	0.232	C	C	.	.			trans	-63.9	132.1	174.1	-65.6	-85.8	0	0	0	110.6	V55 T61 E62 L136 C156 A157	V55-N154 HydrophobicContact CG1-CB 3.67Å; T61-N154 WeakPolarHBondContact CA-OD1 3.31Å; T61-N154 WeakPolarHBondContact CG2-OD1 3.37Å; E62-N154 HydrophobicContact CG-CB 4.26Å; E62-N154 WeakPolarHBondContact CG-OD1 3.1Å; E62-N154 PolarHBondContact N-OD1 3.12Å; L136-N154 PolarHBondContact O-N 2.94Å; L136-N154 PolarHBondContact O-ND2 2.77Å; N154-C156 VanDerWaalsContact C-N 3.34Å; N154-C156 PolarHBondContact O-N 3.33Å; N154-A157 HydrophobicContact CB-CB 4.15Å; N154-A157 WeakPolarHBondContact O-CB 3.49Å; N154-A157 PolarHBondContact O-N 2.98Å; N154-A157 VanDerWaalsContact O-N 3.13Å
155	S	98.5	Very high	93.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-64.2	-38.4	178.8	-52.7	0	0	0	0	112.4	E62 G67 Y69 P101 I153 A157 L158	E62-S155 WeakPolarHBondContact OE1-CB 3.44Å; E62-S155 PolarHBondContact OE1-N 3.02Å; E62-S155 PolarHBondContact OE1-OG 3.44Å; E62-S155 PolarHBondContact OE2-N 3.4Å; G67-S155 VanDerWaalsContact CA-OG 3.31Å; G67-S155 WeakPolarHBondContact CA-OG 3.39Å; Y69-S155 PolarHBondContact N-OG 2.86Å; P101-S155 WeakPolarHBondContact CD-OG 3.21Å; P101-S155 WeakPolarHBondContact CG-OG 3.4Å; I153-S155 PolarHBondContact O-N 2.95Å; S155-A157 PolarHBondContact O-N 3.36Å; S155-L158 PolarHBondContact O-N 3.02Å; S155-L158 VanDerWaalsContact O-N 3.09Å
156	C	98.1	Very high	91.7	Very high	10 Å²	10	39.1 Å²	39.1	7%	0.068	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-66	-21.1	176.2	60.6	0	0	0	0	112.8	L51 E52 V55 E62 V81 N154 L158	L51-C156 HydrophobicContact CD2-CB 4.15Å; L51-C156 HydrophobicContact CG-CB 4.19Å; E52-C156 HydrophobicContact CG-CB 3.98Å; E52-C156 WeakPolarHBondContact CG-O 3.4Å; V55-C156 VanDerWaalsContact CG2-SG 3.56Å; E62-C156 PolarHBondContact OE2-N 3.42Å; E62-C156 PolarHBondContact OE2-SG 3.39Å; V81-C156 WeakPolarHBondContact CG1-O 3.4Å; N154-C156 VanDerWaalsContact C-N 3.34Å; N154-C156 PolarHBondContact O-N 3.33Å; C156-L158 PolarHBondContact O-N 3.43Å
157	A	98.7	Very high	89.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-75.9	-4.1	173.6	0	0	0	0	0	113.2	V55 T56 V81 L136 N154 S155	V55-A157 HydrophobicContact CG1-CB 4.41Å; T56-A157 HydrophobicContact CG2-CB 3.98Å; V81-A157 PolarHBondContact N-O 3.01Å; L136-A157 HydrophobicContact CD2-CB 3.92Å; N154-A157 HydrophobicContact CB-CB 4.15Å; N154-A157 WeakPolarHBondContact O-CB 3.49Å; N154-A157 PolarHBondContact O-N 2.98Å; N154-A157 VanDerWaalsContact O-N 3.13Å; S155-A157 PolarHBondContact O-N 3.36Å
158	L	98.7	Very high	87.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.2	-172.2	-59.1	176.2	0	0	0	113	K68 Y69 Y78 K79 L87 F103 I153 S155 C156	K68-L158 PolarHBondContact NZ-O 3.48Å; Y69-L158 HydrophobicContact CD2-CB 3.95Å; Y69-L158 HydrophobicContact CE2-CB 3.93Å; Y69-L158 WeakPolarHBondContact CE2-O 3.28Å; Y78-L158 HydrophobicContact CD1-CB 4.26Å; Y78-L158 HydrophobicContact CD1-CD1 3.92Å; Y78-L158 HydrophobicContact CG-CD1 4.36Å; K79-L158 CarbonylContact O-C 3.53Å; K79-L158 VanDerWaalsContact O-CA 3.31Å; K79-L158 WeakPolarHBondContact O-CA 3.43Å; L87-L158 HydrophobicContact CD1-CD2 3.71Å; F103-L158 HydrophobicContact CE2-CD1 4.01Å; F103-L158 HydrophobicContact CZ-CD1 4.16Å; I153-L158 HydrophobicContact CB-CD1 4.38Å; I153-L158 HydrophobicContact CG2-CD1 3.7Å; I153-L158 HydrophobicContact CG2-CD2 4.01Å; I153-L158 HydrophobicContact CG2-CG 3.86Å; S155-L158 PolarHBondContact O-N 3.02Å; S155-L158 VanDerWaalsContact O-N 3.09Å; C156-L158 PolarHBondContact O-N 3.43Å
159	I	98	Very high	84.7	Confident	70 Å²	70	44.3 Å²	44.3	36%	0.359	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.5	162.5	-61.1	171.6	0	0	0	107.1	K79 V81	K79-I159 PolarHBondContact N-O 3.29Å; K79-I159 PolarHBondContact O-N 2.75Å; V81-I159 HydrophobicContact CB-CD1 4.29Å; V81-I159 HydrophobicContact CB-CG1 4.12Å; V81-I159 HydrophobicContact CG2-CD1 3.9Å; V81-I159 HydrophobicContact CG2-CG1 3.91Å
160	L	98.4	Very high	82.2	Confident	25 Å²	25	51.8 Å²	51.8	13%	0.131	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.2	172.5	179.2	59.3	0	0	0	109.6	Y69 E72 Y78	Y69-L160 HydrophobicContact CE1-CB 3.88Å; Y69-L160 HydrophobicContact CE2-CB 4.5Å; Y69-L160 PolarHBondContact OH-N 3.21Å; E72-L160 HydrophobicContact CG-CD2 3.81Å; Y78-L160 HydrophobicContact CD1-CB 4.14Å; Y78-L160 HydrophobicContact CD1-CD1 4.19Å; Y78-L160 HydrophobicContact CD2-CD1 4.03Å; Y78-L160 HydrophobicContact CE1-CB 3.99Å; Y78-L160 HydrophobicContact CE1-CD1 4.06Å; Y78-L160 HydrophobicContact CE1-CD2 4.35Å; Y78-L160 HydrophobicContact CE1-CG 4.36Å; Y78-L160 HydrophobicContact CE2-CD1 3.9Å; Y78-L160 HydrophobicContact CG-CD1 4.19Å
161	D	97.6	Very high	79.9	Confident	74 Å²	74	58.5 Å²	58.5	40%	0.396	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	100	164	-173.9	26.1	0	0	0	107.7	G76 I77 K79	G76-D161 CarbonylContact C-O 3.04Å; G76-D161 VanDerWaalsContact CA-O 3.25Å; G76-D161 WeakPolarHBondContact CA-O 3.28Å; I77-D161 PolarHBondContact N-O 2.79Å; I77-D161 PolarHBondContact O-N 2.74Å; K79-D161 HydrophobicContact CD-CB 4.11Å; K79-D161 VanDerWaalsContact CE-CB 3.49Å; K79-D161 VanDerWaalsContact CE-OD2 3.23Å; K79-D161 WeakPolarHBondContact CE-OD2 3.33Å; K79-D161 VanDerWaalsContact NZ-CG 3.31Å; K79-D161 IonicContact NZ-OD2 2.59Å; K79-D161 PolarHBondContact NZ-OD2 3.18Å
162	S	94.7	Very high	77.6	Confident	30 Å²	30	65.6 Å²	65.6	21%	0.21	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.7	-172.3	58.8	0	0	0	0	112.4	P75 S164 S165	P75-S162 WeakPolarHBondContact O-CA 3.43Å; S162-S164 PolarHBondContact O-N 2.76Å; S162-S164 VanDerWaalsContact O-N 3.14Å; S162-S165 PolarHBondContact O-N 3.23Å; S162-S165 PolarHBondContact O-OG 2.78Å
163	D	87.6	Confident	75.6	Confident	112 Å²	112	70.5 Å²	70.5	60%	0.599	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-65.6	-20.8	-176.3	-61.4	-27.5	0	0	0	113.1	P75	P75-D163 PolarHBondContact O-N 3.04Å; P75-D163 VanDerWaalsContact O-N 3.12Å
164	S	73.8	Confident	73.6	Confident	73 Å²	73	77.2 Å²	77.2	51%	0.51	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-85.2	-9.8	-177.7	53.6	0	0	0	0	114.6	S162 S166	S162-S164 PolarHBondContact O-N 2.76Å; S162-S164 VanDerWaalsContact O-N 3.14Å; S164-S166 VanDerWaalsContact C-N 3.28Å; S164-S166 PolarHBondContact O-N 3.21Å
165	S	57.6	Low	72.2	Confident	78 Å²	78	85.3 Å²	85.3	55%	0.545	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-80.1	-3.4	-173	62.1	0	0	0	0	114.8	S162	S162-S165 PolarHBondContact O-N 3.23Å; S162-S165 PolarHBondContact O-OG 2.78Å
166	S	51	Low	70.9	Confident	110 Å²	110	89.6 Å²	89.6	77%	0.769	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-105.5	10.5	178.2	55	0	0	0	0	115.5	S164	S164-S166 VanDerWaalsContact C-N 3.28Å; S164-S166 PolarHBondContact O-N 3.21Å
167	S	46.6	Very low	69.5	Low	98 Å²	98	93.8 Å²	93.8	69%	0.685	60%	0.599	S	S	*	*			trans	-113.1	53.3	178.7	72	0	0	0	0	113.6
168	S	46.6	Very low	67.8	Low	117 Å²	117	99 Å²	99	82%	0.818	63%	0.633	S	S	*	*			trans	-117.9	68.6	166.2	47.3	0	0	0	0	109.6
169	G	42.7	Very low	66	Low	66 Å²	66	104.8 Å²	104.8	68%	0.68	67%	0.67	S	S	*	*			trans	-169.9	30.4	-177.9	0	0	0	0	0	115.2	N171	G169-N171 PolarHBondContact O-N 3.43Å
170	L	46.1	Very low	64	Low	175 Å²	175	107 Å²	107	92%	0.916	69%	0.689	S	S	*	*			trans	-93.3	85.5	167.5	-75.2	167.2	0	0	0	108.5	L172	L170-L172 PolarHBondContact O-N 3.18Å
171	N	49.4	Very low	61.7	Low	162 Å²	162	112.5 Å²	112.5	87%	0.866	73%	0.726	S	S	*	*			trans	-66.8	106.2	159.1	-85.8	-43.5	0	0	0	107.3	G169 P173	G169-N171 PolarHBondContact O-N 3.43Å; N171-P173 WeakPolarHBondContact O-CD 3.29Å
172	L	50	Low	59.2	Low	159 Å²	159	115.2 Å²	115.2	83%	0.832	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-80.9	119.2	170.1	-157.4	74.7	0	0	0	107.9	L170 T174	L170-L172 PolarHBondContact O-N 3.18Å; L172-T174 PolarHBondContact O-N 3.38Å
173	P	55.9	Low	56.4	Low	117 Å²	117	121.8 Å²	121.8	76%	0.76	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.5	128.7	176.1	-14.5	28.2	0	0	0	110	N171	N171-P173 WeakPolarHBondContact O-CD 3.29Å
174	T	58	Low	53.8	Low	142 Å²	142	122.6 Å²	122.6	87%	0.871	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67.5	126.5	163.4	48.9	0	0	0	0	109	L172	L172-T174 PolarHBondContact O-N 3.38Å
175	A	68.5	Low	52	Low	174 Å²	174	127.1 Å²	127.1	100%	1.438	84%	0.835	S	S	*	*			trans	-94.2	0	161.4	0	0	0	0	0	109.6

Retrieved 175 of 175 residues in 174.6 ms (Link to these results)

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