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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 A0A3Q0KUW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 162 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	68	Low	85	Confident	154 Å²	154	105.7 Å²	105.7	76%	0.759	54%	0.541	S	S	*	.				0	129.6	0	-129	104.4	121.8	0	0	108.6	Q5 L6	M1-Q5 VanDerWaalsContact CA-OE1 3.28Å; M1-Q5 HydrophobicContact CG-CB 4.04Å; M1-L6 HydrophobicContact CE-CD2 4.12Å; M1-L6 HydrophobicContact CG-CD2 4.29Å; M1-L6 HydrophobicContact CG-CG 4.31Å
2	N	87.7	Confident	85.6	Confident	82 Å²	82	106.7 Å²	106.7	44%	0.439	56%	0.555	S	S	.	*			trans	-92.7	166.3	171.3	68.5	30.4	0	0	0	111	L4 Q5 L6	N2-L4 VanDerWaalsContact C-N 3.25Å; N2-L4 PolarHBondContact O-N 2.88Å; N2-L4 PolarHBondContact OD1-N 3.12Å; N2-Q5 WeakPolarHBondContact O-CB 3.43Å; N2-Q5 PolarHBondContact O-N 2.85Å; N2-Q5 VanDerWaalsContact O-N 3.13Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.48Å; N2-Q5 VanDerWaalsContact OD1-CG 3.29Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.41Å; N2-Q5 PolarHBondContact OD1-N 3.36Å; N2-L6 PolarHBondContact O-N 3.12Å
3	V	85.4	Confident	86.2	Confident	114 Å²	114	103.2 Å²	103.2	69%	0.691	54%	0.537	S	S	*	.	H	α-helix	trans	-57	-39.6	-178.4	177.7	0	0	0	0	111.6	Q5 L6 V7	V3-Q5 VanDerWaalsContact C-N 3.35Å; V3-Q5 PolarHBondContact O-N 3.26Å; V3-L6 PolarHBondContact O-N 3.16Å; V3-V7 WeakPolarHBondContact O-CG2 3.5Å; V3-V7 PolarHBondContact O-N 3.24Å
4	L	84.4	Confident	86.8	Confident	125 Å²	125	99.6 Å²	99.6	65%	0.654	53%	0.526	S	S	*	.	H	α-helix	trans	-63.8	-37.7	178.8	-66.8	172.3	0	0	0	112.7	N2 V7 K8	N2-L4 VanDerWaalsContact C-N 3.25Å; N2-L4 PolarHBondContact O-N 2.88Å; N2-L4 PolarHBondContact OD1-N 3.12Å; L4-V7 PolarHBondContact O-N 3.13Å; L4-K8 WeakPolarHBondContact O-CG 3.46Å; L4-K8 PolarHBondContact O-N 3.48Å; L4-K8 VanDerWaalsContact O-N 3.13Å
5	Q	88.1	Confident	87.2	Confident	98 Å²	98	100.1 Å²	100.1	46%	0.458	54%	0.537	S	S	.	.	H	α-helix	trans	-66.3	-38.4	176	-75.9	170.8	-22.9	0	0	111.6	M1 N2 V3 K8 Q9	M1-Q5 VanDerWaalsContact CA-OE1 3.28Å; M1-Q5 HydrophobicContact CG-CB 4.04Å; N2-Q5 WeakPolarHBondContact O-CB 3.43Å; N2-Q5 PolarHBondContact O-N 2.85Å; N2-Q5 VanDerWaalsContact O-N 3.13Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.48Å; N2-Q5 VanDerWaalsContact OD1-CG 3.29Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.41Å; N2-Q5 PolarHBondContact OD1-N 3.36Å; V3-Q5 VanDerWaalsContact C-N 3.35Å; V3-Q5 PolarHBondContact O-N 3.26Å; Q5-K8 PolarHBondContact O-N 3.46Å; Q5-Q9 WeakPolarHBondContact O-CG 3.36Å; Q5-Q9 PolarHBondContact O-N 3.32Å; Q5-Q9 VanDerWaalsContact O-N 3.16Å
6	L	83.3	Confident	87.7	Confident	84 Å²	84	106.4 Å²	106.4	44%	0.44	55%	0.551	S	S	.	*	H	α-helix	trans	-66.5	-42.5	176.2	-71.8	168.3	0	0	0	111.9	M1 N2 V3 K8 Q9 M10	M1-L6 HydrophobicContact CE-CD2 4.12Å; M1-L6 HydrophobicContact CG-CD2 4.29Å; M1-L6 HydrophobicContact CG-CG 4.31Å; N2-L6 PolarHBondContact O-N 3.12Å; V3-L6 PolarHBondContact O-N 3.16Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.13Å; L6-Q9 WeakPolarHBondContact O-CB 3.29Å; L6-Q9 PolarHBondContact O-N 2.91Å; L6-Q9 VanDerWaalsContact O-N 3.13Å; L6-M10 WeakPolarHBondContact O-CG 3.37Å; L6-M10 PolarHBondContact O-N 3.45Å
7	V	84.6	Confident	88.1	Confident	70 Å²	70	104.7 Å²	104.7	42%	0.424	54%	0.542	S	S	.	.	H	α-helix	trans	-59.3	-46.8	176	174	0	0	0	0	110.6	V3 L4 Q9 M10 D11	V3-V7 WeakPolarHBondContact O-CG2 3.5Å; V3-V7 PolarHBondContact O-N 3.24Å; L4-V7 PolarHBondContact O-N 3.13Å; V7-Q9 PolarHBondContact O-N 3.05Å; V7-M10 WeakPolarHBondContact O-CB 3.47Å; V7-M10 PolarHBondContact O-N 3.34Å; V7-D11 PolarHBondContact O-N 3.45Å; V7-D11 VanDerWaalsContact O-N 3.12Å
8	K	89.6	Confident	88.3	Confident	150 Å²	150	102.8 Å²	102.8	65%	0.652	53%	0.53	S	S	*	.	H	α-helix	trans	-59.9	-32.5	176.5	-72.4	179.7	179.1	-173.5	0	113.4	L4 Q5 L6	L4-K8 WeakPolarHBondContact O-CG 3.46Å; L4-K8 PolarHBondContact O-N 3.48Å; L4-K8 VanDerWaalsContact O-N 3.13Å; Q5-K8 PolarHBondContact O-N 3.46Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.13Å
9	Q	88.3	Confident	88.5	Confident	97 Å²	97	99.6 Å²	99.6	45%	0.453	52%	0.52	S	S	.	.	H	α-helix	trans	-74.2	-30.6	174.4	-73.1	-179.3	-17.5	0	0	112.8	Q5 L6 V7 D11 T12	Q5-Q9 WeakPolarHBondContact O-CG 3.36Å; Q5-Q9 PolarHBondContact O-N 3.32Å; Q5-Q9 VanDerWaalsContact O-N 3.16Å; L6-Q9 WeakPolarHBondContact O-CB 3.29Å; L6-Q9 PolarHBondContact O-N 2.91Å; L6-Q9 VanDerWaalsContact O-N 3.13Å; V7-Q9 PolarHBondContact O-N 3.05Å; Q9-D11 VanDerWaalsContact C-N 3.29Å; Q9-T12 PolarHBondContact O-N 2.96Å; Q9-T12 PolarHBondContact O-OG1 3Å
10	M	86.3	Confident	88.7	Confident	82 Å²	82	99.7 Å²	99.7	40%	0.404	52%	0.521	S	S	.	.	H	α-helix	trans	-66.7	-35.6	173.3	-68.7	179.3	61.6	0	0	111.3	L6 V7 T12 L13 Q18 L21	L6-M10 WeakPolarHBondContact O-CG 3.37Å; L6-M10 PolarHBondContact O-N 3.45Å; V7-M10 WeakPolarHBondContact O-CB 3.47Å; V7-M10 PolarHBondContact O-N 3.34Å; M10-T12 PolarHBondContact O-N 2.95Å; M10-L13 WeakPolarHBondContact O-CB 3.49Å; M10-L13 PolarHBondContact O-N 3.01Å; M10-L13 VanDerWaalsContact O-N 3.12Å; M10-Q18 PolarHBondContact O-NE2 3.42Å; M10-L21 HydrophobicContact CE-CD1 4.49Å
11	D	88.9	Confident	88.7	Confident	107 Å²	107	98 Å²	98	57%	0.572	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.2	177.8	-63.1	-26.4	0	0	0	113.1	V7 Q9 L13 Q18	V7-D11 PolarHBondContact O-N 3.45Å; V7-D11 VanDerWaalsContact O-N 3.12Å; Q9-D11 VanDerWaalsContact C-N 3.29Å; D11-L13 VanDerWaalsContact C-N 3.34Å; D11-Q18 PolarHBondContact O-NE2 3Å
12	T	93.3	Very high	89.7	Confident	117 Å²	117	98.4 Å²	98.4	72%	0.718	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.6	176	68.7	0	0	0	0	113.7	Q9 M10	Q9-T12 PolarHBondContact O-N 2.96Å; Q9-T12 PolarHBondContact O-OG1 3Å; M10-T12 PolarHBondContact O-N 2.95Å
13	L	92.3	Very high	89.8	Confident	61 Å²	61	100.5 Å²	100.5	32%	0.319	52%	0.517	S	S	.	.	S	Bend	trans	-76.1	153.2	177.6	-58.8	174.9	0	0	0	110.7	M10 D11 I17 Q18 L21	M10-L13 WeakPolarHBondContact O-CB 3.49Å; M10-L13 PolarHBondContact O-N 3.01Å; M10-L13 VanDerWaalsContact O-N 3.12Å; D11-L13 VanDerWaalsContact C-N 3.34Å; L13-I17 HydrophobicContact CB-CB 4.19Å; L13-I17 HydrophobicContact CB-CG2 4Å; L13-I17 HydrophobicContact CD1-CG2 3.82Å; L13-I17 HydrophobicContact CD2-CG2 4.44Å; L13-I17 HydrophobicContact CG-CG2 4.31Å; L13-Q18 HydrophobicContact CB-CG 4.13Å; L13-Q18 PolarHBondContact O-NE2 3.06Å; L13-L21 HydrophobicContact CD1-CD1 3.59Å
14	S	95.5	Very high	89.9	Confident	54 Å²	54	98 Å²	98	38%	0.378	50%	0.504	S	S	.	.			trans	-60.2	149.3	176.1	73.4	0	0	0	0	111.1	R16 I17 Q18	S14-R16 PolarHBondContact O-N 3.23Å; S14-I17 PolarHBondContact O-N 2.82Å; S14-I17 WeakPolarHBondContact OG-CG1 3.41Å; S14-I17 PolarHBondContact OG-N 3.28Å; S14-Q18 PolarHBondContact O-N 3.15Å
15	P	92.8	Very high	90	Very high	107 Å²	107	96.4 Å²	96.4	70%	0.695	50%	0.496	S	S	*	.	H	α-helix	trans	-52.9	-33.5	178.1	-28.6	35.1	0	0	0	113.3	Q18 A19	P15-Q18 PolarHBondContact O-N 3.5Å; P15-A19 WeakPolarHBondContact O-CB 3.43Å; P15-A19 PolarHBondContact O-N 3.23Å
16	R	95.3	Very high	90	Very high	201 Å²	201	95.8 Å²	95.8	76%	0.758	50%	0.502	S	S	*	.	H	α-helix	trans	-65.2	-44.2	175.3	-174.7	176.2	179.9	172.7	0.5	112.3	S14 A19 L20	S14-R16 PolarHBondContact O-N 3.23Å; R16-A19 PolarHBondContact O-N 3.43Å; R16-L20 WeakPolarHBondContact O-CG 3.43Å; R16-L20 PolarHBondContact O-N 3.13Å; R16-L20 VanDerWaalsContact O-N 3.15Å
17	I	94.3	Very high	90.3	Very high	77 Å²	77	97 Å²	97	40%	0.395	51%	0.508	S	S	.	.	H	α-helix	trans	-67.5	-40.3	176.9	-66.8	170.5	0	0	0	110.2	L13 S14 A19 L20 L21	L13-I17 HydrophobicContact CB-CB 4.19Å; L13-I17 HydrophobicContact CB-CG2 4Å; L13-I17 HydrophobicContact CD1-CG2 3.82Å; L13-I17 HydrophobicContact CD2-CG2 4.44Å; L13-I17 HydrophobicContact CG-CG2 4.31Å; S14-I17 PolarHBondContact O-N 2.82Å; S14-I17 WeakPolarHBondContact OG-CG1 3.41Å; S14-I17 PolarHBondContact OG-N 3.28Å; I17-A19 VanDerWaalsContact C-N 3.32Å; I17-A19 PolarHBondContact O-N 3.25Å; I17-L20 PolarHBondContact O-N 3.41Å; I17-L21 HydrophobicContact CG2-CD1 4.18Å; I17-L21 HydrophobicContact CG2-CG 4.44Å; I17-L21 WeakPolarHBondContact O-CG 3.43Å; I17-L21 PolarHBondContact O-N 3.42Å
18	Q	91.8	Very high	90.7	Very high	71 Å²	71	97.5 Å²	97.5	33%	0.332	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-42.6	175.3	-65.1	-179.9	15.9	0	0	111.9	M10 D11 L13 S14 P15 L21 K22	M10-Q18 PolarHBondContact O-NE2 3.42Å; D11-Q18 PolarHBondContact O-NE2 3Å; L13-Q18 HydrophobicContact CB-CG 4.13Å; L13-Q18 PolarHBondContact O-NE2 3.06Å; S14-Q18 PolarHBondContact O-N 3.15Å; P15-Q18 PolarHBondContact O-N 3.5Å; Q18-L21 PolarHBondContact O-N 3.14Å; Q18-K22 WeakPolarHBondContact O-CB 3.44Å; Q18-K22 PolarHBondContact O-N 2.89Å
19	A	92.3	Very high	90.8	Very high	42 Å²	42	98.7 Å²	98.7	35%	0.347	50%	0.504	S	S	.	.	H	α-helix	trans	-61.3	-47	175.9	0	0	0	0	0	112.2	P15 R16 I17 L21 K22 E23	P15-A19 WeakPolarHBondContact O-CB 3.43Å; P15-A19 PolarHBondContact O-N 3.23Å; R16-A19 PolarHBondContact O-N 3.43Å; I17-A19 VanDerWaalsContact C-N 3.32Å; I17-A19 PolarHBondContact O-N 3.25Å; A19-L21 PolarHBondContact O-N 2.94Å; A19-K22 WeakPolarHBondContact O-CB 3.39Å; A19-K22 PolarHBondContact O-N 3.03Å; A19-K22 VanDerWaalsContact O-N 3.14Å; A19-E23 WeakPolarHBondContact O-CG 3.45Å; A19-E23 PolarHBondContact O-N 3.42Å
20	L	91.7	Very high	91.1	Very high	100 Å²	100	97.2 Å²	97.2	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-60.7	-41.8	177.2	-69.4	173.4	0	0	0	112.6	R16 I17 K22 E23 S24	R16-L20 WeakPolarHBondContact O-CG 3.43Å; R16-L20 PolarHBondContact O-N 3.13Å; R16-L20 VanDerWaalsContact O-N 3.15Å; I17-L20 PolarHBondContact O-N 3.41Å; L20-K22 VanDerWaalsContact C-N 3.35Å; L20-E23 PolarHBondContact O-N 3.29Å; L20-S24 WeakPolarHBondContact O-CB 3.37Å; L20-S24 PolarHBondContact O-N 3.23Å
21	L	89.3	Confident	91.6	Very high	65 Å²	65	94 Å²	94	34%	0.34	49%	0.489	S	S	.	.	H	α-helix	trans	-64.4	-40.5	175.2	-71.2	174.7	0	0	0	111.5	M10 L13 I17 Q18 A19 S24 N25	M10-L21 HydrophobicContact CE-CD1 4.49Å; L13-L21 HydrophobicContact CD1-CD1 3.59Å; I17-L21 HydrophobicContact CG2-CD1 4.18Å; I17-L21 HydrophobicContact CG2-CG 4.44Å; I17-L21 WeakPolarHBondContact O-CG 3.43Å; I17-L21 PolarHBondContact O-N 3.42Å; Q18-L21 PolarHBondContact O-N 3.14Å; A19-L21 PolarHBondContact O-N 2.94Å; L21-S24 PolarHBondContact O-N 2.93Å; L21-N25 WeakPolarHBondContact O-CB 3.37Å; L21-N25 VanDerWaalsContact O-CG 3.24Å; L21-N25 PolarHBondContact O-N 3.25Å; L21-N25 PolarHBondContact O-ND2 2.94Å
22	K	89	Confident	91.9	Very high	162 Å²	162	95 Å²	95	70%	0.704	49%	0.488	S	S	*	.	H	α-helix	trans	-63.8	-43.9	176.7	-175	179.8	179.1	-178.9	0	111.9	Q18 A19 L20 N25 C26	Q18-K22 WeakPolarHBondContact O-CB 3.44Å; Q18-K22 PolarHBondContact O-N 2.89Å; A19-K22 WeakPolarHBondContact O-CB 3.39Å; A19-K22 PolarHBondContact O-N 3.03Å; A19-K22 VanDerWaalsContact O-N 3.14Å; L20-K22 VanDerWaalsContact C-N 3.35Å; K22-N25 PolarHBondContact O-N 3.48Å; K22-C26 WeakPolarHBondContact O-CB 3.41Å; K22-C26 PolarHBondContact O-N 3.46Å
23	E	89.1	Confident	92	Very high	127 Å²	127	93.3 Å²	93.3	59%	0.593	49%	0.486	S	S	*	.	H	α-helix	trans	-60.4	-48.6	175.9	-73.8	170.7	-168.7	0	0	111.4	A19 L20 N25 C26 L27	A19-E23 WeakPolarHBondContact O-CG 3.45Å; A19-E23 PolarHBondContact O-N 3.42Å; L20-E23 PolarHBondContact O-N 3.29Å; E23-N25 VanDerWaalsContact C-N 3.35Å; E23-N25 PolarHBondContact O-N 2.88Å; E23-C26 PolarHBondContact O-N 3.35Å; E23-L27 PolarHBondContact O-N 3.21Å
24	S	87	Confident	92.2	Very high	60 Å²	60	97.9 Å²	97.9	42%	0.42	50%	0.499	S	S	.	.	H	α-helix	trans	-57.4	-45.6	175	178.8	0	0	0	0	112.3	L20 L21 C26 L27 R28	L20-S24 WeakPolarHBondContact O-CB 3.37Å; L20-S24 PolarHBondContact O-N 3.23Å; L21-S24 PolarHBondContact O-N 2.93Å; S24-C26 PolarHBondContact O-N 3.26Å; S24-L27 PolarHBondContact O-N 3.42Å; S24-R28 WeakPolarHBondContact O-CG 3.49Å; S24-R28 PolarHBondContact O-N 3.45Å
25	N	87.8	Confident	92.2	Very high	92 Å²	92	95.8 Å²	95.8	49%	0.492	48%	0.484	S	S	.	.	H	α-helix	trans	-65.1	-38.6	177.4	-75.3	-27.1	0	0	0	112.6	L21 K22 E23 R28 Y29	L21-N25 WeakPolarHBondContact O-CB 3.37Å; L21-N25 VanDerWaalsContact O-CG 3.24Å; L21-N25 PolarHBondContact O-N 3.25Å; L21-N25 PolarHBondContact O-ND2 2.94Å; K22-N25 PolarHBondContact O-N 3.48Å; E23-N25 VanDerWaalsContact C-N 3.35Å; E23-N25 PolarHBondContact O-N 2.88Å; N25-R28 PolarHBondContact O-N 2.82Å; N25-Y29 WeakPolarHBondContact O-CB 3.41Å; N25-Y29 PolarHBondContact O-N 3.17Å
26	C	87.7	Confident	92.5	Very high	85 Å²	85	93.5 Å²	93.5	57%	0.574	47%	0.47	S	S	*	.	H	α-helix	trans	-64.3	-43.6	175.9	-171.9	0	0	0	0	111.5	K22 E23 S24 R28 Y29 S30	K22-C26 WeakPolarHBondContact O-CB 3.41Å; K22-C26 PolarHBondContact O-N 3.46Å; E23-C26 PolarHBondContact O-N 3.35Å; S24-C26 PolarHBondContact O-N 3.26Å; C26-R28 PolarHBondContact O-N 2.78Å; C26-Y29 WeakPolarHBondContact O-CB 3.4Å; C26-Y29 PolarHBondContact O-N 2.98Å; C26-S30 PolarHBondContact O-N 3.35Å
27	L	89.5	Confident	92.6	Very high	111 Å²	111	90.3 Å²	90.3	58%	0.581	47%	0.468	S	S	*	.	H	α-helix	trans	-59.9	-47.5	174.5	180	62	0	0	0	111.3	E23 S24 Y29 S30 L31	E23-L27 PolarHBondContact O-N 3.21Å; S24-L27 PolarHBondContact O-N 3.42Å; L27-Y29 VanDerWaalsContact C-N 3.3Å; L27-Y29 PolarHBondContact O-N 3.5Å; L27-S30 WeakPolarHBondContact O-CB 3.47Å; L27-S30 PolarHBondContact O-N 3.48Å; L27-L31 WeakPolarHBondContact O-CG 3.18Å; L27-L31 PolarHBondContact O-N 3.38Å
28	R	92.5	Very high	92.7	Very high	79 Å²	79	89.6 Å²	89.6	30%	0.298	47%	0.465	S	S	.	.	H	α-helix	trans	-62.6	-36.3	177.5	-70.7	-178	69	84.1	-1.7	112.4	S24 N25 C26 L31 K32 Q44 N45	S24-R28 WeakPolarHBondContact O-CG 3.49Å; S24-R28 PolarHBondContact O-N 3.45Å; N25-R28 PolarHBondContact O-N 2.82Å; C26-R28 PolarHBondContact O-N 2.78Å; R28-L31 PolarHBondContact O-N 3Å; R28-K32 WeakPolarHBondContact O-CG 3.4Å; R28-K32 PolarHBondContact O-N 2.81Å; R28-Q44 PolarHBondContact NH1-O 2.69Å; R28-N45 PolarHBondContact NH2-OD1 3.49Å
29	Y	93	Very high	93	Very high	175 Å²	175	88 Å²	88	69%	0.686	46%	0.458	S	S	*	.	H	α-helix	trans	-63.3	-46.7	174.8	-179.3	-95.4	0	0	0	111.8	N25 C26 L27 L31 K32 A33	N25-Y29 WeakPolarHBondContact O-CB 3.41Å; N25-Y29 PolarHBondContact O-N 3.17Å; C26-Y29 WeakPolarHBondContact O-CB 3.4Å; C26-Y29 PolarHBondContact O-N 2.98Å; L27-Y29 VanDerWaalsContact C-N 3.3Å; L27-Y29 PolarHBondContact O-N 3.5Å; Y29-L31 VanDerWaalsContact C-N 3.29Å; Y29-L31 PolarHBondContact O-N 3.3Å; Y29-K32 PolarHBondContact O-N 2.74Å; Y29-A33 PolarHBondContact O-N 3.41Å; Y29-A33 VanDerWaalsContact O-N 3.11Å
30	S	94.1	Very high	93.3	Very high	66 Å²	66	86.3 Å²	86.3	46%	0.462	44%	0.443	S	S	.	.	H	α-helix	trans	-57.6	-41.9	174.9	172.3	0	0	0	0	112.1	C26 L27 A33 R34	C26-S30 PolarHBondContact O-N 3.35Å; L27-S30 WeakPolarHBondContact O-CB 3.47Å; L27-S30 PolarHBondContact O-N 3.48Å; S30-A33 PolarHBondContact O-N 3.25Å; S30-R34 PolarHBondContact O-N 2.92Å
31	L	96.2	Very high	93.6	Very high	15 Å²	15	86.4 Å²	86.4	8%	0.079	44%	0.436	C	S	.	.	H	α-helix	trans	-64.5	-44.1	176.9	-68.5	178.7	0	0	0	112.3	L27 R28 Y29 A33 R34 L35 F40 Q44 V69	L27-L31 WeakPolarHBondContact O-CG 3.18Å; L27-L31 PolarHBondContact O-N 3.38Å; R28-L31 PolarHBondContact O-N 3Å; Y29-L31 VanDerWaalsContact C-N 3.29Å; Y29-L31 PolarHBondContact O-N 3.3Å; L31-A33 PolarHBondContact O-N 2.98Å; L31-R34 PolarHBondContact O-N 3.41Å; L31-R34 VanDerWaalsContact O-N 3.16Å; L31-L35 HydrophobicContact CB-CD1 4.24Å; L31-L35 HydrophobicContact CD2-CD1 4.41Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 WeakPolarHBondContact O-CG 3.21Å; L31-L35 PolarHBondContact O-N 2.91Å; L31-F40 HydrophobicContact CB-CD2 4.13Å; L31-F40 HydrophobicContact CB-CE2 4.03Å; L31-Q44 HydrophobicContact CD1-CG 4.21Å; L31-V69 HydrophobicContact CD1-CG1 4.48Å; L31-V69 HydrophobicContact CD2-CG1 3.73Å
32	K	95.1	Very high	94	Very high	127 Å²	127	83.3 Å²	83.3	55%	0.552	42%	0.42	S	S	*	.	H	α-helix	trans	-60.3	-32.1	175.7	-75	-169.5	175.5	-171.6	0	113.4	R28 Y29 R34 F40	R28-K32 WeakPolarHBondContact O-CG 3.4Å; R28-K32 PolarHBondContact O-N 2.81Å; Y29-K32 PolarHBondContact O-N 2.74Å; K32-R34 VanDerWaalsContact C-N 3.3Å; K32-F40 HydrophobicContact CB-CD2 4.26Å; K32-F40 HydrophobicContact CB-CE2 4.3Å; K32-F40 HydrophobicContact CD-CE1 4.22Å; K32-F40 HydrophobicContact CD-CE2 4.27Å; K32-F40 HydrophobicContact CD-CZ 4.04Å; K32-F40 HydrophobicContact CG-CD1 4.04Å; K32-F40 HydrophobicContact CG-CD2 3.43Å; K32-F40 VanDerWaalsContact CG-CD2 3.43Å; K32-F40 HydrophobicContact CG-CE1 3.89Å; K32-F40 HydrophobicContact CG-CE2 3.24Å; K32-F40 HydrophobicContact CG-CG 3.83Å; K32-F40 HydrophobicContact CG-CZ 3.49Å; K32-F40 VanDerWaalsContact CG-CZ 3.49Å
33	A	95.4	Very high	94.4	Very high	83 Å²	83	75.8 Å²	75.8	69%	0.686	39%	0.387	S	S	*	.	H	α-helix	trans	-73.7	-22.3	179.6	0	0	0	0	0	113.1	Y29 S30 L31	Y29-A33 PolarHBondContact O-N 3.41Å; Y29-A33 VanDerWaalsContact O-N 3.11Å; S30-A33 PolarHBondContact O-N 3.25Å; L31-A33 PolarHBondContact O-N 2.98Å
34	R	96.1	Very high	94.8	Very high	156 Å²	156	71.5 Å²	71.5	59%	0.589	37%	0.367	S	S	*	.	H	α-helix	trans	-112.6	-26.2	-172.8	-161.4	172.8	62.1	87	1.2	114	S30 L31 K32 V69	S30-R34 PolarHBondContact O-N 2.92Å; L31-R34 PolarHBondContact O-N 3.41Å; L31-R34 VanDerWaalsContact O-N 3.16Å; K32-R34 VanDerWaalsContact C-N 3.3Å; R34-V69 PolarHBondContact NH2-O 3.23Å
35	L	97.1	Very high	95.3	Very high	11 Å²	11	72.2 Å²	72.2	6%	0.058	37%	0.366	C	S	.	.	S	Bend	trans	-93.8	148.1	175.8	-61.1	177.8	0	0	0	110.1	L31 E39 F40 V68 V69	L31-L35 HydrophobicContact CB-CD1 4.24Å; L31-L35 HydrophobicContact CD2-CD1 4.41Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 WeakPolarHBondContact O-CG 3.21Å; L31-L35 PolarHBondContact O-N 2.91Å; L35-E39 HydrophobicContact CB-CB 4.02Å; L35-E39 HydrophobicContact CD2-CB 4.37Å; L35-F40 HydrophobicContact CB-CB 4.32Å; L35-V68 HydrophobicContact CD2-CG1 4.38Å; L35-V68 HydrophobicContact CD2-CG2 4.06Å; L35-V69 HydrophobicContact CD1-CG2 4.09Å
36	S	97.4	Very high	95.7	Very high	58 Å²	58	73.5 Å²	73.5	41%	0.406	37%	0.368	S	S	.	.			trans	-63.9	159.9	165.5	66.3	0	0	0	0	111.2	L38 E39 F40	S36-L38 PolarHBondContact O-N 2.59Å; S36-E39 WeakPolarHBondContact CB-OE2 3.47Å; S36-E39 PolarHBondContact N-OE2 3.31Å; S36-E39 PolarHBondContact O-N 3.23Å; S36-E39 VanDerWaalsContact O-N 3.16Å; S36-E39 WeakPolarHBondContact OG-CB 3.28Å; S36-E39 WeakPolarHBondContact OG-CG 3.36Å; S36-E39 PolarHBondContact OG-N 2.75Å; S36-E39 PolarHBondContact OG-OE2 3.33Å; S36-F40 WeakPolarHBondContact O-CB 3.23Å; S36-F40 PolarHBondContact O-N 3.19Å
37	D	97.5	Very high	96.1	Very high	134 Å²	134	72.6 Å²	72.6	72%	0.717	36%	0.355	S	S	*	.	H	α-helix	trans	-55.8	-38.6	179.2	-73.1	-24.4	0	0	0	112.6	R41	D37-R41 VanDerWaalsContact O-CB 3.3Å; D37-R41 WeakPolarHBondContact O-CB 3.2Å; D37-R41 WeakPolarHBondContact O-CG 3.49Å; D37-R41 PolarHBondContact O-N 2.91Å
38	L	97.3	Very high	96.5	Very high	62 Å²	62	70.5 Å²	70.5	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-69.8	-46.1	178.4	-177.8	62	0	0	0	111.6	S36 F40 R41 V42 E49 C143	S36-L38 PolarHBondContact O-N 2.59Å; L38-F40 VanDerWaalsContact C-N 3.31Å; L38-F40 PolarHBondContact O-N 3.04Å; L38-R41 PolarHBondContact O-N 2.81Å; L38-V42 HydrophobicContact CD1-CG2 4.11Å; L38-V42 WeakPolarHBondContact O-CB 3.22Å; L38-V42 WeakPolarHBondContact O-CG2 3.45Å; L38-V42 PolarHBondContact O-N 2.82Å; L38-E49 HydrophobicContact CD1-CG 4.39Å; L38-E49 HydrophobicContact CD2-CG 4.3Å; L38-C143 HydrophobicContact CD2-CB 4.23Å; L38-C143 HydrophobicContact CG-CB 4.16Å
39	E	98.4	Very high	96.6	Very high	38 Å²	38	67.3 Å²	67.3	18%	0.178	34%	0.335	C	S	.	.	H	α-helix	trans	-59.9	-42.8	176.8	-69.6	165.1	156.2	0	0	111.1	L35 S36 T43 V68 C143	L35-E39 HydrophobicContact CB-CB 4.02Å; L35-E39 HydrophobicContact CD2-CB 4.37Å; S36-E39 WeakPolarHBondContact CB-OE2 3.47Å; S36-E39 PolarHBondContact N-OE2 3.31Å; S36-E39 PolarHBondContact O-N 3.23Å; S36-E39 VanDerWaalsContact O-N 3.16Å; S36-E39 WeakPolarHBondContact OG-CB 3.28Å; S36-E39 WeakPolarHBondContact OG-CG 3.36Å; S36-E39 PolarHBondContact OG-N 2.75Å; S36-E39 PolarHBondContact OG-OE2 3.33Å; E39-T43 VanDerWaalsContact O-CB 3.29Å; E39-T43 WeakPolarHBondContact O-CB 3.38Å; E39-T43 VanDerWaalsContact O-CG2 3.31Å; E39-T43 WeakPolarHBondContact O-CG2 3.45Å; E39-T43 PolarHBondContact O-N 3.45Å; E39-T43 PolarHBondContact O-OG1 2.82Å; E39-V68 HydrophobicContact CG-CG2 4.16Å; E39-V68 WeakPolarHBondContact OE1-CG2 3.35Å; E39-C143 HydrophobicContact CG-CB 3.81Å; E39-C143 WeakPolarHBondContact CG-O 3.24Å
40	F	97.9	Very high	96.8	Very high	7 Å²	7	66.8 Å²	66.8	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-49.5	176.3	-175.3	-88.2	0	0	0	111.3	L31 K32 L35 S36 L38 V42 Q44	L31-F40 HydrophobicContact CB-CD2 4.13Å; L31-F40 HydrophobicContact CB-CE2 4.03Å; K32-F40 HydrophobicContact CB-CD2 4.26Å; K32-F40 HydrophobicContact CB-CE2 4.3Å; K32-F40 HydrophobicContact CD-CE1 4.22Å; K32-F40 HydrophobicContact CD-CE2 4.27Å; K32-F40 HydrophobicContact CD-CZ 4.04Å; K32-F40 HydrophobicContact CG-CD1 4.04Å; K32-F40 HydrophobicContact CG-CD2 3.43Å; K32-F40 VanDerWaalsContact CG-CD2 3.43Å; K32-F40 HydrophobicContact CG-CE1 3.89Å; K32-F40 HydrophobicContact CG-CE2 3.24Å; K32-F40 HydrophobicContact CG-CG 3.83Å; K32-F40 HydrophobicContact CG-CZ 3.49Å; K32-F40 VanDerWaalsContact CG-CZ 3.49Å; L35-F40 HydrophobicContact CB-CB 4.32Å; S36-F40 WeakPolarHBondContact O-CB 3.23Å; S36-F40 PolarHBondContact O-N 3.19Å; L38-F40 VanDerWaalsContact C-N 3.31Å; L38-F40 PolarHBondContact O-N 3.04Å; F40-V42 PolarHBondContact O-N 3.01Å; F40-Q44 HydrophobicContact CD1-CB 4.35Å; F40-Q44 HydrophobicContact CD2-CB 4.2Å; F40-Q44 HydrophobicContact CD2-CG 3.69Å; F40-Q44 HydrophobicContact CE1-CB 4.08Å; F40-Q44 HydrophobicContact CE2-CB 3.93Å; F40-Q44 HydrophobicContact CE2-CG 3.63Å; F40-Q44 HydrophobicContact CG-CB 4.4Å; F40-Q44 HydrophobicContact CG-CG 4.21Å; F40-Q44 HydrophobicContact CZ-CB 3.87Å; F40-Q44 HydrophobicContact CZ-CG 4.12Å; F40-Q44 WeakPolarHBondContact O-CA 3.48Å; F40-Q44 WeakPolarHBondContact O-CB 3.41Å; F40-Q44 WeakPolarHBondContact O-CG 3.48Å; F40-Q44 PolarHBondContact O-N 2.76Å
41	R	97.7	Very high	96.9	Very high	101 Å²	101	66.9 Å²	66.9	38%	0.381	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-43.6	-178.8	-75.7	-173.8	-46	127.2	3.3	112	D37 L38 N45 K46 E47	D37-R41 VanDerWaalsContact O-CB 3.3Å; D37-R41 WeakPolarHBondContact O-CB 3.2Å; D37-R41 WeakPolarHBondContact O-CG 3.49Å; D37-R41 PolarHBondContact O-N 2.91Å; L38-R41 PolarHBondContact O-N 2.81Å; R41-N45 CarbonylContact O-C 3.03Å; R41-N45 VanDerWaalsContact O-CA 3.28Å; R41-N45 WeakPolarHBondContact O-CA 3.34Å; R41-N45 WeakPolarHBondContact O-CB 3.15Å; R41-N45 PolarHBondContact O-N 3.43Å; R41-K46 PolarHBondContact O-N 3.23Å; R41-E47 HydrophobicContact CB-CB 4.33Å; R41-E47 HydrophobicContact CB-CG 4.14Å; R41-E47 WeakPolarHBondContact CB-OE1 3.25Å; R41-E47 VanDerWaalsContact CD-OE1 3.25Å; R41-E47 WeakPolarHBondContact CD-OE1 3.48Å; R41-E47 IonicContact CZ-OE1 2.75Å; R41-E47 IonicContact CZ-OE2 2.73Å; R41-E47 VanDerWaalsContact CZ-OE2 3.23Å; R41-E47 IonicContact NE-OE1 3.25Å; R41-E47 IonicContact NE-OE2 3.4Å; R41-E47 VanDerWaalsContact NH1-CD 3.29Å; R41-E47 IonicContact NH1-OE1 2.58Å; R41-E47 PolarHBondContact NH1-OE1 3.37Å; R41-E47 IonicContact NH1-OE2 3.07Å; R41-E47 PolarHBondContact NH1-OE2 3.39Å; R41-E47 IonicContact NH2-OE2 3.29Å; R41-E47 PolarHBondContact O-N 3.11Å
42	V	98.3	Very high	96.9	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-66.7	-57.1	176.7	169.3	0	0	0	0	110.7	L38 F40 Q44 K46 E47 E49 H122 N141 C143 A144	L38-V42 HydrophobicContact CD1-CG2 4.11Å; L38-V42 WeakPolarHBondContact O-CB 3.22Å; L38-V42 WeakPolarHBondContact O-CG2 3.45Å; L38-V42 PolarHBondContact O-N 2.82Å; F40-V42 PolarHBondContact O-N 3.01Å; V42-Q44 PolarHBondContact O-N 3.47Å; V42-K46 WeakPolarHBondContact O-CA 3.4Å; V42-K46 PolarHBondContact O-N 3.02Å; V42-K46 VanDerWaalsContact O-N 3.14Å; V42-E47 WeakPolarHBondContact CA-O 3.41Å; V42-E47 HydrophobicContact CG2-CB 4.23Å; V42-E49 HydrophobicContact CG2-CG 4.15Å; V42-H122 WeakPolarHBondContact O-CB 3.21Å; V42-H122 PolarHBondContact O-CD2 3.21Å; V42-N141 HydrophobicContact CG1-CB 3.66Å; V42-C143 VanDerWaalsContact CB-SG 3.5Å; V42-C143 WeakPolarHBondContact CG2-SG 3.39Å; V42-A144 HydrophobicContact CG1-CB 4.32Å
43	T	98.1	Very high	96.9	Very high	4 Å²	4	70 Å²	70	3%	0.025	36%	0.358	C	S	.	.	H	α-helix	trans	-72.8	-28.6	-170.9	62.4	0	0	0	0	114.2	E39 V68 V69 A121 H122 A144	E39-T43 VanDerWaalsContact O-CB 3.29Å; E39-T43 WeakPolarHBondContact O-CB 3.38Å; E39-T43 VanDerWaalsContact O-CG2 3.31Å; E39-T43 WeakPolarHBondContact O-CG2 3.45Å; E39-T43 PolarHBondContact O-N 3.45Å; E39-T43 PolarHBondContact O-OG1 2.82Å; T43-V68 HydrophobicContact CG2-CG1 3.73Å; T43-V69 HydrophobicContact CG2-CG2 3.92Å; T43-A121 HydrophobicContact CG2-CB 4.31Å; T43-A121 WeakPolarHBondContact O-CA 3.03Å; T43-H122 PolarHBondContact O-N 2.87Å; T43-A144 HydrophobicContact CG2-CB 4.03Å
44	Q	97.5	Very high	97	Very high	37 Å²	37	66.5 Å²	66.5	17%	0.173	33%	0.329	C	S	.	.	H	α-helix	trans	-112.5	-20.2	-172.1	-51.8	-53	-55.1	0	0	114.4	R28 L31 F40 V42	R28-Q44 PolarHBondContact NH1-O 2.69Å; L31-Q44 HydrophobicContact CD1-CG 4.21Å; F40-Q44 HydrophobicContact CD1-CB 4.35Å; F40-Q44 HydrophobicContact CD2-CB 4.2Å; F40-Q44 HydrophobicContact CD2-CG 3.69Å; F40-Q44 HydrophobicContact CE1-CB 4.08Å; F40-Q44 HydrophobicContact CE2-CB 3.93Å; F40-Q44 HydrophobicContact CE2-CG 3.63Å; F40-Q44 HydrophobicContact CG-CB 4.4Å; F40-Q44 HydrophobicContact CG-CG 4.21Å; F40-Q44 HydrophobicContact CZ-CB 3.87Å; F40-Q44 HydrophobicContact CZ-CG 4.12Å; F40-Q44 WeakPolarHBondContact O-CA 3.48Å; F40-Q44 WeakPolarHBondContact O-CB 3.41Å; F40-Q44 WeakPolarHBondContact O-CG 3.48Å; F40-Q44 PolarHBondContact O-N 2.76Å; V42-Q44 PolarHBondContact O-N 3.47Å
45	N	96.7	Very high	96.9	Very high	75 Å²	75	64.6 Å²	64.6	40%	0.401	33%	0.325	S	S	.	.	H	α-helix	trans	-117.1	7.2	177.4	-51.6	-25.7	0	0	0	112.7	R28 R41 E47	R28-N45 PolarHBondContact NH2-OD1 3.49Å; R41-N45 CarbonylContact O-C 3.03Å; R41-N45 VanDerWaalsContact O-CA 3.28Å; R41-N45 WeakPolarHBondContact O-CA 3.34Å; R41-N45 WeakPolarHBondContact O-CB 3.15Å; R41-N45 PolarHBondContact O-N 3.43Å; N45-E47 PolarHBondContact O-N 2.93Å
46	K	96.8	Very high	96.9	Very high	120 Å²	120	65.2 Å²	65.2	52%	0.522	33%	0.327	S	S	.	.			trans	58.1	29.8	178.7	-47.7	-171.5	174.3	-164	0	113.6	R41 V42 E113 H122	R41-K46 PolarHBondContact O-N 3.23Å; V42-K46 WeakPolarHBondContact O-CA 3.4Å; V42-K46 PolarHBondContact O-N 3.02Å; V42-K46 VanDerWaalsContact O-N 3.14Å; K46-E113 WeakPolarHBondContact CD-OE1 3.11Å; K46-E113 WeakPolarHBondContact CE-OE1 3.49Å; K46-E113 WeakPolarHBondContact CE-OE2 3.06Å; K46-E113 IonicContact NZ-OE1 2.69Å; K46-E113 IonicContact NZ-OE2 3.85Å; K46-E113 PolarHBondContact NZ-OE2 3.04Å; K46-H122 HydrophobicContact CB-CB 4.36Å; K46-H122 HydrophobicContact CG-CB 4.07Å
47	E	96.3	Very high	96.9	Very high	65 Å²	65	63.2 Å²	63.2	30%	0.304	31%	0.313	S	S	.	.			trans	-70	162	169.7	-70.7	-166.6	-150.1	0	0	110.9	R41 V42 N45	R41-E47 HydrophobicContact CB-CB 4.33Å; R41-E47 HydrophobicContact CB-CG 4.14Å; R41-E47 WeakPolarHBondContact CB-OE1 3.25Å; R41-E47 VanDerWaalsContact CD-OE1 3.25Å; R41-E47 WeakPolarHBondContact CD-OE1 3.48Å; R41-E47 IonicContact CZ-OE1 2.75Å; R41-E47 IonicContact CZ-OE2 2.73Å; R41-E47 VanDerWaalsContact CZ-OE2 3.23Å; R41-E47 IonicContact NE-OE1 3.25Å; R41-E47 IonicContact NE-OE2 3.4Å; R41-E47 VanDerWaalsContact NH1-CD 3.29Å; R41-E47 IonicContact NH1-OE1 2.58Å; R41-E47 PolarHBondContact NH1-OE1 3.37Å; R41-E47 IonicContact NH1-OE2 3.07Å; R41-E47 PolarHBondContact NH1-OE2 3.39Å; R41-E47 IonicContact NH2-OE2 3.29Å; R41-E47 PolarHBondContact O-N 3.11Å; V42-E47 WeakPolarHBondContact CA-O 3.41Å; V42-E47 HydrophobicContact CG2-CB 4.23Å; N45-E47 PolarHBondContact O-N 2.93Å
48	T	96.1	Very high	96.7	Very high	68 Å²	68	62.8 Å²	62.8	42%	0.417	31%	0.31	S	S	.	.			trans	-118	135.1	174.3	-50.8	0	0	0	0	109	W87	T48-W87 HydrophobicContact CG2-CZ2 3.99Å
49	E	96.3	Very high	96.6	Very high	12 Å²	12	62.5 Å²	62.5	6%	0.056	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-59.9	155.8	172.1	-70.5	-179.3	128.8	0	0	110.9	L38 V42 W87 N141 S142 C143	L38-E49 HydrophobicContact CD1-CG 4.39Å; L38-E49 HydrophobicContact CD2-CG 4.3Å; V42-E49 HydrophobicContact CG2-CG 4.15Å; E49-W87 WeakPolarHBondContact O-CZ2 3.43Å; E49-W87 PolarHBondContact O-NE1 3.03Å; E49-N141 WeakPolarHBondContact CB-OD1 3.47Å; E49-N141 HydrophobicContact CG-CB 4.17Å; E49-N141 PolarHBondContact N-OD1 3.13Å; E49-N141 WeakPolarHBondContact OE2-CA 3.36Å; E49-S142 WeakPolarHBondContact OE2-CA 3.39Å; E49-S142 PolarHBondContact OE2-N 3.26Å; E49-C143 VanDerWaalsContact OE1-CB 3.29Å; E49-C143 WeakPolarHBondContact OE1-CB 3.37Å; E49-C143 PolarHBondContact OE1-N 3.17Å; E49-C143 PolarHBondContact OE1-SG 2.93Å
50	K	96.1	Very high	96.4	Very high	164 Å²	164	69.3 Å²	69.3	71%	0.713	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-63.4	144.1	170.8	-67.4	-177.6	179.9	179.4	0	109.5	F52 S53	K50-F52 PolarHBondContact O-N 3.25Å; K50-S53 PolarHBondContact O-N 3.42Å; K50-S53 PolarHBondContact O-OG 3.11Å
51	P	96.3	Very high	96.4	Very high	67 Å²	67	71 Å²	71	44%	0.435	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	141.9	175	25.8	-34.4	0	0	0	110	S53 W87	P51-S53 PolarHBondContact O-N 3.32Å; P51-S53 VanDerWaalsContact O-N 3.09Å; P51-W87 HydrophobicContact CB-CH2 3.76Å; P51-W87 HydrophobicContact CB-CZ2 3.89Å; P51-W87 HydrophobicContact CB-CZ3 4.18Å; P51-W87 HydrophobicContact CG-CH2 4.34Å; P51-W87 HydrophobicContact CG-CZ2 4.42Å
52	F	96.3	Very high	96.3	Very high	138 Å²	138	69.5 Å²	69.5	61%	0.605	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	1.4	-179.5	-46.1	-78.8	0	0	0	115.8	K50 V57 S84 G86	K50-F52 PolarHBondContact O-N 3.25Å; F52-V57 HydrophobicContact CD1-CG1 4.47Å; F52-S84 WeakPolarHBondContact CZ-O 3.47Å; F52-G86 WeakPolarHBondContact CA-O 3.44Å; F52-G86 VanDerWaalsContact CD1-CA 3.44Å; F52-G86 PolarHBondContact N-O 2.89Å
53	S	96.1	Very high	96.3	Very high	70 Å²	70	69.6 Å²	69.6	49%	0.49	35%	0.353	S	S	.	.			trans	-85.4	-16.3	178.8	72.4	0	0	0	0	114	K50 P51	K50-S53 PolarHBondContact O-N 3.42Å; K50-S53 PolarHBondContact O-OG 3.11Å; P51-S53 PolarHBondContact O-N 3.32Å; P51-S53 VanDerWaalsContact O-N 3.09Å
54	G	95.8	Very high	96.3	Very high	9 Å²	9	71.1 Å²	71.1	9%	0.093	36%	0.36	C	S	.	.	S	Bend	trans	-73.8	136.8	-174.7	0	0	0	0	0	113	Y56 V57 S142	G54-Y56 PolarHBondContact O-N 3.45Å; G54-Y56 VanDerWaalsContact O-N 3.14Å; G54-V57 WeakPolarHBondContact O-CG2 3.3Å; G54-V57 PolarHBondContact O-N 3.4Å; G54-S142 WeakPolarHBondContact CA-OG 3.23Å
55	K	95.8	Very high	96.4	Very high	116 Å²	116	69.3 Å²	69.3	50%	0.504	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.6	178.7	59.6	177.4	169.9	170.5	0	114.4
56	Y	97.2	Very high	96.5	Very high	24 Å²	24	68 Å²	68	9%	0.094	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	7.4	-176.6	-55.5	-48.3	0	0	0	114.5	G54 N58 E59 Y65 K80 S142 L145 L147	G54-Y56 PolarHBondContact O-N 3.45Å; G54-Y56 VanDerWaalsContact O-N 3.14Å; Y56-N58 PolarHBondContact O-N 3.39Å; Y56-E59 HydrophobicContact CD1-CB 3.82Å; Y56-E59 HydrophobicContact CD1-CG 3.83Å; Y56-E59 HydrophobicContact CE1-CG 4.46Å; Y56-E59 HydrophobicContact CG-CB 4.45Å; Y56-E59 PolarHBondContact O-N 3.14Å; Y56-Y65 HydrophobicContact CD1-CE1 4.08Å; Y56-Y65 HydrophobicContact CD2-CD1 4.14Å; Y56-Y65 AromaticContact CD2-CE1 3.87Å; Y56-Y65 HydrophobicContact CD2-CE1 3.87Å; Y56-Y65 HydrophobicContact CE2-CD1 4.41Å; Y56-Y65 HydrophobicContact CE2-CE1 4.35Å; Y56-Y65 HydrophobicContact CG-CD1 4.45Å; Y56-Y65 AromaticContact CG-CE1 3.73Å; Y56-Y65 HydrophobicContact CG-CE1 3.73Å; Y56-K80 WeakPolarHBondContact O-CE 3.19Å; Y56-K80 PolarHBondContact O-NZ 3.32Å; Y56-S142 VanDerWaalsContact CD2-CB 3.41Å; Y56-S142 PolarHBondContact N-OG 2.99Å; Y56-L145 HydrophobicContact CD2-CB 4.01Å; Y56-L145 HydrophobicContact CE2-CB 3.96Å; Y56-L145 WeakPolarHBondContact CE2-O 3.37Å; Y56-L147 HydrophobicContact CE1-CB 3.85Å; Y56-L147 HydrophobicContact CE2-CB 4.5Å; Y56-L147 PolarHBondContact OH-N 3.45Å; Y56-L147 VanDerWaalsContact OH-N 3.08Å
57	V	95.5	Very high	96.5	Very high	17 Å²	17	62.3 Å²	62.3	10%	0.103	32%	0.318	C	S	.	.	S	Bend	trans	-54.4	-54.6	176.4	175.3	0	0	0	0	110.2	F52 G54 K80 G86	F52-V57 HydrophobicContact CD1-CG1 4.47Å; G54-V57 WeakPolarHBondContact O-CG2 3.3Å; G54-V57 PolarHBondContact O-N 3.4Å; V57-K80 PolarHBondContact O-NZ 3.3Å; V57-G86 WeakPolarHBondContact CG2-O 3.49Å
58	N	93.8	Very high	96.6	Very high	124 Å²	124	59.5 Å²	59.5	66%	0.663	31%	0.305	S	S	*	.	S	Bend	trans	-99.8	4.7	-178.5	-63.8	-40.7	0	0	0	114.3	Y56	Y56-N58 PolarHBondContact O-N 3.39Å
59	E	95.9	Very high	96.7	Very high	56 Å²	56	56.9 Å²	56.9	26%	0.262	29%	0.289	S	S	.	.			trans	-66.8	137.1	179.6	-178.6	57.2	-99.8	0	0	111.2	Y56 S61 K80 L147	Y56-E59 HydrophobicContact CD1-CB 3.82Å; Y56-E59 HydrophobicContact CD1-CG 3.83Å; Y56-E59 HydrophobicContact CE1-CG 4.46Å; Y56-E59 HydrophobicContact CG-CB 4.45Å; Y56-E59 PolarHBondContact O-N 3.14Å; E59-S61 WeakPolarHBondContact OE1-CB 3.34Å; E59-S61 PolarHBondContact OE1-N 3Å; E59-S61 PolarHBondContact OE1-OG 2.85Å; E59-K80 WeakPolarHBondContact O-CE 3.41Å; E59-K80 PolarHBondContact O-NZ 2.82Å; E59-L147 HydrophobicContact CG-CD2 3.83Å
60	K	94.6	Very high	96.8	Very high	182 Å²	182	58.6 Å²	58.6	79%	0.791	30%	0.302	S	S	*	.			trans	-134.7	1	-177.1	-64.7	-177.4	-176.6	180	0	113.2
61	S	96.4	Very high	96.8	Very high	43 Å²	43	54.3 Å²	54.3	30%	0.301	29%	0.293	S	S	.	.			trans	-60.2	139	179	-59.3	0	0	0	0	110.5	E59	E59-S61 WeakPolarHBondContact OE1-CB 3.34Å; E59-S61 PolarHBondContact OE1-N 3Å; E59-S61 PolarHBondContact OE1-OG 2.85Å
62	P	97.2	Very high	96.9	Very high	69 Å²	69	53.2 Å²	53.2	45%	0.448	29%	0.286	S	S	.	.	S	Bend	trans	-67.5	144	176.7	29.7	-34.9	0	0	0	110.7	S77 S149 D150	P62-S77 WeakPolarHBondContact CA-OG 3.4Å; P62-S149 WeakPolarHBondContact O-CA 3.36Å; P62-D150 PolarHBondContact O-N 3.45Å
63	G	97.7	Very high	97	Very high	1 Å²	1	52 Å²	52	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.7	-167	174.9	0	0	0	0	0	113.6	S77 D148	G63-S77 PolarHBondContact N-OG 2.84Å; G63-S77 WeakPolarHBondContact O-CB 3.38Å; G63-S77 PolarHBondContact O-N 2.89Å; G63-S77 PolarHBondContact O-OG 2.95Å; G63-D148 CarbonylContact C-O 3.49Å; G63-D148 VanDerWaalsContact CA-O 3.23Å; G63-D148 WeakPolarHBondContact CA-O 3.15Å
64	I	98.2	Very high	97.1	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.185	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.4	-175.5	-56.3	-54.5	0	0	0	110.8	K66 K73 I94 D148	I64-K66 HydrophobicContact CG2-CG 4.18Å; I64-K66 PolarHBondContact O-N 3.21Å; I64-K73 HydrophobicContact CG2-CB 3.87Å; I64-K73 HydrophobicContact CG2-CD 4.23Å; I64-K73 HydrophobicContact CG2-CG 3.87Å; I64-I94 HydrophobicContact CD1-CD1 3.72Å; I64-I94 HydrophobicContact CG1-CD1 4.4Å; I64-I94 HydrophobicContact CG2-CD1 3.94Å; I64-D148 PolarHBondContact N-O 3.19Å; I64-D148 PolarHBondContact O-N 2.92Å
65	Y	98.5	Very high	97.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117.5	170.2	-65.8	-91.9	0	0	0	109.6	Y56 L74 F75 K80 F90 L145 L147	Y56-Y65 HydrophobicContact CD1-CE1 4.08Å; Y56-Y65 HydrophobicContact CD2-CD1 4.14Å; Y56-Y65 AromaticContact CD2-CE1 3.87Å; Y56-Y65 HydrophobicContact CD2-CE1 3.87Å; Y56-Y65 HydrophobicContact CE2-CD1 4.41Å; Y56-Y65 HydrophobicContact CE2-CE1 4.35Å; Y56-Y65 HydrophobicContact CG-CD1 4.45Å; Y56-Y65 AromaticContact CG-CE1 3.73Å; Y56-Y65 HydrophobicContact CG-CE1 3.73Å; Y65-L74 WeakPolarHBondContact O-CB 3.31Å; Y65-L74 PolarHBondContact O-N 2.87Å; Y65-F75 PolarHBondContact N-O 3.45Å; Y65-F75 PolarHBondContact O-N 3.42Å; Y65-K80 HydrophobicContact CE2-CD 4.11Å; Y65-K80 WeakPolarHBondContact OH-CD 3.38Å; Y65-F90 HydrophobicContact CD1-CZ 4.15Å; Y65-F90 AromaticContact CD2-CE1 3.5Å; Y65-F90 HydrophobicContact CD2-CE1 3.5Å; Y65-F90 AromaticContact CD2-CZ 3.73Å; Y65-F90 HydrophobicContact CD2-CZ 3.73Å; Y65-F90 HydrophobicContact CE1-CZ 4.33Å; Y65-F90 AromaticContact CE2-CE1 3.69Å; Y65-F90 HydrophobicContact CE2-CE1 3.69Å; Y65-F90 AromaticContact CE2-CZ 3.96Å; Y65-F90 HydrophobicContact CE2-CZ 3.96Å; Y65-F90 HydrophobicContact CG-CE1 4.07Å; Y65-F90 AromaticContact CG-CZ 3.83Å; Y65-F90 HydrophobicContact CG-CZ 3.83Å; Y65-L145 HydrophobicContact CD1-CB 4.23Å; Y65-L145 HydrophobicContact CD1-CD1 3.88Å; Y65-L145 HydrophobicContact CG-CD1 4.34Å; Y65-L147 HydrophobicContact CD1-CB 4.25Å; Y65-L147 HydrophobicContact CD1-CD1 4.21Å; Y65-L147 HydrophobicContact CD2-CD1 4.06Å; Y65-L147 HydrophobicContact CE1-CB 4.12Å; Y65-L147 HydrophobicContact CE1-CD1 4.06Å; Y65-L147 HydrophobicContact CE1-CD2 4.44Å; Y65-L147 HydrophobicContact CE1-CG 4.44Å; Y65-L147 HydrophobicContact CE2-CD1 3.88Å; Y65-L147 HydrophobicContact CG-CD1 4.23Å
66	K	98.5	Very high	97.4	Very high	48 Å²	48	43.6 Å²	43.6	21%	0.209	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	155.2	-179.4	-61.1	177.9	-174.7	173.8	0	110.9	I64 V68 S72 K73 L145 I146 D148	I64-K66 HydrophobicContact CG2-CG 4.18Å; I64-K66 PolarHBondContact O-N 3.21Å; K66-V68 PolarHBondContact O-N 3.04Å; K66-S72 CarbonylContact C-O 3.52Å; K66-S72 WeakPolarHBondContact CA-O 3.35Å; K66-K73 HydrophobicContact CG-CG 4.49Å; K66-L145 CarbonylContact O-C 3.51Å; K66-L145 VanDerWaalsContact O-CA 3.29Å; K66-L145 WeakPolarHBondContact O-CA 3.34Å; K66-I146 PolarHBondContact N-O 3.31Å; K66-I146 PolarHBondContact O-N 2.96Å; K66-D148 HydrophobicContact CD-CB 4.15Å; K66-D148 VanDerWaalsContact CE-OD2 3.27Å; K66-D148 WeakPolarHBondContact CE-OD2 3.46Å; K66-D148 IonicContact NZ-OD2 3.68Å; K66-D148 PolarHBondContact NZ-OD2 2.61Å
67	C	98.6	Very high	97.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	128.8	172.9	-177.4	0	0	0	0	110.7	V69 S71 S72 L74 C116 C119	C67-V69 PolarHBondContact O-N 3.18Å; C67-V69 PolarHBondContact SG-N 3.06Å; C67-S71 VanDerWaalsContact O-CA 3.22Å; C67-S71 WeakPolarHBondContact O-CA 3.36Å; C67-S71 PolarHBondContact O-N 3.42Å; C67-S72 PolarHBondContact N-O 3.24Å; C67-L74 HydrophobicContact CB-CD1 3.77Å; C67-L74 HydrophobicContact CB-CD2 4.49Å; C67-L74 HydrophobicContact CB-CG 4.24Å; C67-C116 HydrophobicContact CB-CB 4.5Å; C67-C119 VanDerWaalsContact SG-SG 3.69Å
68	V	98.2	Very high	97.4	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.036	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.1	176.4	71.3	0	0	0	0	113.2	L35 E39 T43 K66 C143 A144 I146	L35-V68 HydrophobicContact CD2-CG1 4.38Å; L35-V68 HydrophobicContact CD2-CG2 4.06Å; E39-V68 HydrophobicContact CG-CG2 4.16Å; E39-V68 WeakPolarHBondContact OE1-CG2 3.35Å; T43-V68 HydrophobicContact CG2-CG1 3.73Å; K66-V68 PolarHBondContact O-N 3.04Å; V68-C143 WeakPolarHBondContact CG1-O 3.34Å; V68-A144 PolarHBondContact N-O 2.77Å; V68-I146 HydrophobicContact CB-CD1 4.28Å; V68-I146 HydrophobicContact CB-CG1 4.09Å; V68-I146 HydrophobicContact CG2-CD1 3.9Å; V68-I146 HydrophobicContact CG2-CG1 3.91Å
69	V	98	Very high	97.6	Very high	13 Å²	13	45.6 Å²	45.6	8%	0.079	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-52.7	-174.6	-177.2	0	0	0	0	111.8	L31 R34 L35 T43 C67 C119 A121	L31-V69 HydrophobicContact CD1-CG1 4.48Å; L31-V69 HydrophobicContact CD2-CG1 3.73Å; R34-V69 PolarHBondContact NH2-O 3.23Å; L35-V69 HydrophobicContact CD1-CG2 4.09Å; T43-V69 HydrophobicContact CG2-CG2 3.92Å; C67-V69 PolarHBondContact O-N 3.18Å; C67-V69 PolarHBondContact SG-N 3.06Å; V69-C119 HydrophobicContact CG1-CB 4.29Å; V69-A121 HydrophobicContact CB-CB 4.31Å; V69-A121 HydrophobicContact CG2-CB 3.78Å
70	C	97.4	Very high	97.7	Very high	47 Å²	47	44.6 Å²	44.6	32%	0.318	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	3.3	-169.7	69.4	0	0	0	0	114.6	S72 C119	C70-S72 PolarHBondContact O-N 3.34Å; C70-S72 PolarHBondContact SG-OG 3.47Å; C70-C119 HydrophobicContact CB-CB 3.84Å; C70-C119 PolarHBondContact SG-SG 3.45Å
71	S	97.6	Very high	97.8	Very high	74 Å²	74	38.1 Å²	38.1	52%	0.517	21%	0.211	S	C	.	.			trans	61.7	10.4	179.4	-51.8	0	0	0	0	115.9	C67	C67-S71 VanDerWaalsContact O-CA 3.22Å; C67-S71 WeakPolarHBondContact O-CA 3.36Å; C67-S71 PolarHBondContact O-N 3.42Å
72	S	98.1	Very high	97.6	Very high	44 Å²	44	44.5 Å²	44.5	31%	0.308	23%	0.23	S	C	.	.			trans	-60.2	139.1	172.9	-68.3	0	0	0	0	110.7	K66 C67 C70	K66-S72 CarbonylContact C-O 3.52Å; K66-S72 WeakPolarHBondContact CA-O 3.35Å; C67-S72 PolarHBondContact N-O 3.24Å; C70-S72 PolarHBondContact O-N 3.34Å; C70-S72 PolarHBondContact SG-OG 3.47Å
73	K	98.3	Very high	97.3	Very high	113 Å²	113	42.6 Å²	42.6	49%	0.491	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	130.2	176.1	-58.3	-179.4	-178.7	178.1	0	109.6	I64 K66 I94 S98	I64-K73 HydrophobicContact CG2-CB 3.87Å; I64-K73 HydrophobicContact CG2-CD 4.23Å; I64-K73 HydrophobicContact CG2-CG 3.87Å; K66-K73 HydrophobicContact CG-CG 4.49Å; K73-I94 HydrophobicContact CB-CD1 4.07Å; K73-I94 HydrophobicContact CB-CG2 4.02Å; K73-I94 HydrophobicContact CD-CD1 4.24Å; K73-S98 WeakPolarHBondContact O-CB 3.29Å
74	L	98.6	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-51	-175.1	-60	174.4	0	0	0	112	Y65 C67 I94 L99 C116 L123 L145	Y65-L74 WeakPolarHBondContact O-CB 3.31Å; Y65-L74 PolarHBondContact O-N 2.87Å; C67-L74 HydrophobicContact CB-CD1 3.77Å; C67-L74 HydrophobicContact CB-CD2 4.49Å; C67-L74 HydrophobicContact CB-CG 4.24Å; L74-I94 WeakPolarHBondContact O-CG2 3.21Å; L74-I94 PolarHBondContact O-N 2.78Å; L74-L99 HydrophobicContact CD2-CD2 3.84Å; L74-C116 HydrophobicContact CD2-CB 4.26Å; L74-L123 HydrophobicContact CD1-CD1 3.65Å; L74-L123 HydrophobicContact CD1-CD2 3.78Å; L74-L123 HydrophobicContact CD1-CG 4.38Å; L74-L123 HydrophobicContact CD2-CD1 4.02Å; L74-L123 HydrophobicContact CG-CD1 4.4Å; L74-L145 HydrophobicContact CD1-CD2 3.64Å
75	F	98.5	Very high	96.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.1	-174.9	-55.9	-82.4	0	0	0	111.2	Y65 F90 S92 L99 Y138 I140 L145	Y65-F75 PolarHBondContact N-O 3.45Å; Y65-F75 PolarHBondContact O-N 3.42Å; F75-F90 HydrophobicContact CB-CD1 3.47Å; F75-F90 VanDerWaalsContact CB-CD1 3.47Å; F75-F90 HydrophobicContact CB-CD2 4.31Å; F75-F90 HydrophobicContact CB-CE1 3.58Å; F75-F90 HydrophobicContact CB-CE2 4.42Å; F75-F90 HydrophobicContact CB-CG 3.85Å; F75-F90 HydrophobicContact CB-CZ 4.08Å; F75-F90 HydrophobicContact CD1-CB 3.57Å; F75-F90 HydrophobicContact CD1-CD1 4.13Å; F75-F90 HydrophobicContact CD1-CD2 4.04Å; F75-F90 AromaticContact CD1-CG 3.66Å; F75-F90 HydrophobicContact CD1-CG 3.66Å; F75-F90 HydrophobicContact CD2-CD2 4.1Å; F75-F90 HydrophobicContact CD2-CE2 4.17Å; F75-F90 HydrophobicContact CD2-CG 4.39Å; F75-F90 HydrophobicContact CE1-CB 4.02Å; F75-F90 HydrophobicContact CE1-CD2 4.41Å; F75-F90 HydrophobicContact CE1-CG 4.32Å; F75-F90 HydrophobicContact CE2-CD2 4.48Å; F75-F90 HydrophobicContact CG-CB 4.16Å; F75-F90 AromaticContact CG-CD1 3.89Å; F75-F90 HydrophobicContact CG-CD1 3.89Å; F75-F90 AromaticContact CG-CD2 3.88Å; F75-F90 HydrophobicContact CG-CD2 3.88Å; F75-F90 HydrophobicContact CG-CE1 4.21Å; F75-F90 HydrophobicContact CG-CE2 4.22Å; F75-F90 AromaticContact CG-CG 3.71Å; F75-F90 HydrophobicContact CG-CG 3.71Å; F75-F90 HydrophobicContact CG-CZ 4.37Å; F75-S92 WeakPolarHBondContact CD1-O 3.29Å; F75-L99 HydrophobicContact CE1-CD1 3.94Å; F75-L99 HydrophobicContact CE2-CD2 4.47Å; F75-L99 HydrophobicContact CZ-CD1 3.73Å; F75-L99 HydrophobicContact CZ-CD2 4.19Å; F75-Y138 AromaticContact CE1-CD1 3.98Å; F75-Y138 HydrophobicContact CE1-CD1 3.98Å; F75-Y138 AromaticContact CE1-CG 3.87Å; F75-Y138 HydrophobicContact CE1-CG 3.87Å; F75-Y138 HydrophobicContact CZ-CD1 4.13Å; F75-Y138 HydrophobicContact CZ-CG 4.31Å; F75-I140 HydrophobicContact CE2-CD1 4.04Å; F75-I140 HydrophobicContact CE2-CG1 3.73Å; F75-I140 HydrophobicContact CE2-CG2 4.42Å; F75-I140 HydrophobicContact CZ-CD1 3.85Å; F75-I140 HydrophobicContact CZ-CG1 3.79Å; F75-L145 HydrophobicContact CD2-CD2 4.44Å
76	S	97.7	Very high	96.6	Very high	19 Å²	19	46.5 Å²	46.5	13%	0.133	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	147.1	166.7	175.2	0	0	0	0	109.8	E78 A79	S76-E78 PolarHBondContact O-N 3.32Å; S76-E78 WeakPolarHBondContact OG-CB 3.32Å; S76-E78 PolarHBondContact OG-N 2.95Å; S76-E78 VanDerWaalsContact OG-N 3.13Å; S76-A79 PolarHBondContact O-N 2.64Å; S76-A79 VanDerWaalsContact O-N 3.1Å
77	S	97.5	Very high	96.6	Very high	24 Å²	24	46.7 Å²	46.7	17%	0.168	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-56.6	-28.7	167.6	57.6	0	0	0	0	112.8	P62 G63 A79 K80	P62-S77 WeakPolarHBondContact CA-OG 3.4Å; G63-S77 PolarHBondContact N-OG 2.84Å; G63-S77 WeakPolarHBondContact O-CB 3.38Å; G63-S77 PolarHBondContact O-N 2.89Å; G63-S77 PolarHBondContact O-OG 2.95Å; S77-A79 VanDerWaalsContact C-N 3.26Å; S77-A79 PolarHBondContact O-N 3.16Å; S77-K80 VanDerWaalsContact O-CB 3.24Å; S77-K80 WeakPolarHBondContact O-CB 3.28Å; S77-K80 PolarHBondContact O-N 2.87Å; S77-K80 VanDerWaalsContact O-N 3.08Å
78	E	96.8	Very high	96.6	Very high	175 Å²	175	46.8 Å²	46.8	82%	0.818	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-65.4	-29.9	176.6	-61.3	175.4	161.8	0	0	112.7	S76 K80	S76-E78 PolarHBondContact O-N 3.32Å; S76-E78 WeakPolarHBondContact OG-CB 3.32Å; S76-E78 PolarHBondContact OG-N 2.95Å; S76-E78 VanDerWaalsContact OG-N 3.13Å; E78-K80 VanDerWaalsContact C-N 3.3Å
79	A	97.2	Very high	96.6	Very high	8 Å²	8	46.5 Å²	46.5	7%	0.066	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-81.7	-12.3	175.6	0	0	0	0	0	112.2	S76 S77 F90 N91 S92	S76-A79 PolarHBondContact O-N 2.64Å; S76-A79 VanDerWaalsContact O-N 3.1Å; S77-A79 VanDerWaalsContact C-N 3.26Å; S77-A79 PolarHBondContact O-N 3.16Å; A79-F90 CarbonylContact O-C 3.56Å; A79-F90 VanDerWaalsContact O-CA 3.25Å; A79-F90 WeakPolarHBondContact O-CA 3.38Å; A79-N91 PolarHBondContact O-N 2.87Å; A79-N91 PolarHBondContact O-ND2 3.2Å; A79-S92 WeakPolarHBondContact CB-O 3.49Å
80	K	97.6	Very high	96.6	Very high	35 Å²	35	45.9 Å²	45.9	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.1	179.8	-166.1	175.1	-176.3	-76.2	0	109.9	Y56 V57 E59 Y65 S77 E78 A89 F90	Y56-K80 WeakPolarHBondContact O-CE 3.19Å; Y56-K80 PolarHBondContact O-NZ 3.32Å; V57-K80 PolarHBondContact O-NZ 3.3Å; E59-K80 WeakPolarHBondContact O-CE 3.41Å; E59-K80 PolarHBondContact O-NZ 2.82Å; Y65-K80 HydrophobicContact CE2-CD 4.11Å; Y65-K80 WeakPolarHBondContact OH-CD 3.38Å; S77-K80 VanDerWaalsContact O-CB 3.24Å; S77-K80 WeakPolarHBondContact O-CB 3.28Å; S77-K80 PolarHBondContact O-N 2.87Å; S77-K80 VanDerWaalsContact O-N 3.08Å; E78-K80 VanDerWaalsContact C-N 3.3Å; K80-A89 WeakPolarHBondContact CA-O 3.46Å; K80-A89 WeakPolarHBondContact CG-O 3.47Å; K80-F90 HydrophobicContact CB-CD1 3.7Å; K80-F90 HydrophobicContact CB-CE1 3.64Å; K80-F90 HydrophobicContact CD-CE1 4.05Å; K80-F90 HydrophobicContact CD-CZ 4.24Å; K80-F90 HydrophobicContact CG-CD1 4.12Å; K80-F90 HydrophobicContact CG-CE1 3.85Å; K80-F90 HydrophobicContact CG-CZ 4.3Å
81	F	96.3	Very high	96.6	Very high	46 Å²	46	45.6 Å²	45.6	20%	0.202	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	161.6	175.7	66.6	-87.9	0	0	0	111.3	C83 A89 F90 N91 P131 R137	F81-C83 HydrophobicContact CD2-CB 4.39Å; F81-C83 HydrophobicContact CE2-CB 3.96Å; F81-C83 PolarHBondContact O-N 3.01Å; F81-A89 HydrophobicContact CD1-CB 4.45Å; F81-A89 HydrophobicContact CD2-CB 4.48Å; F81-A89 HydrophobicContact CE1-CB 4.02Å; F81-A89 HydrophobicContact CE2-CB 4.03Å; F81-A89 HydrophobicContact CZ-CB 3.79Å; F81-A89 PolarHBondContact N-O 3.16Å; F81-F90 VanDerWaalsContact CE1-C 3.41Å; F81-N91 HydrophobicContact CD1-CB 4Å; F81-N91 HydrophobicContact CE1-CB 3.98Å; F81-P131 HydrophobicContact CD1-CG 3.92Å; F81-P131 HydrophobicContact CD2-CG 4.19Å; F81-P131 HydrophobicContact CE1-CG 3.88Å; F81-P131 HydrophobicContact CE2-CG 4.2Å; F81-P131 HydrophobicContact CG-CG 4.07Å; F81-P131 HydrophobicContact CZ-CG 4.03Å; F81-R137 HydrophobicContact CE1-CG 4.49Å; F81-R137 HydrophobicContact CZ-CB 4.02Å; F81-R137 HydrophobicContact CZ-CG 3.72Å
82	Y	93.4	Very high	96.6	Very high	177 Å²	177	43.9 Å²	43.9	69%	0.694	23%	0.226	S	C	*	.			trans	-71.3	124.8	175	175	-99.8	0	0	0	110.1
83	C	91	Very high	96.6	Very high	28 Å²	28	43.2 Å²	43.2	19%	0.189	22%	0.221	C	C	.	.			trans	-134.5	130.3	172.3	-173.5	0	0	0	0	108.8	F81 C85 A89 R137	F81-C83 HydrophobicContact CD2-CB 4.39Å; F81-C83 HydrophobicContact CE2-CB 3.96Å; F81-C83 PolarHBondContact O-N 3.01Å; C83-C85 PolarHBondContact O-N 2.86Å; C83-C85 VanDerWaalsContact O-N 3.16Å; C83-C85 VanDerWaalsContact SG-CB 3.58Å; C83-C85 PolarHBondContact SG-SG 2.85Å; C83-A89 HydrophobicContact CB-CB 3.47Å; C83-A89 VanDerWaalsContact CB-CB 3.47Å; C83-R137 VanDerWaalsContact SG-CD 3.51Å
84	S	91.8	Very high	96.5	Very high	86 Å²	86	40.3 Å²	40.3	60%	0.601	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	2.6	177.5	52.7	0	0	0	0	113.6	F52 G86	F52-S84 WeakPolarHBondContact CZ-O 3.47Å; S84-G86 PolarHBondContact O-N 3.49Å
85	C	92.7	Very high	96.4	Very high	33 Å²	33	46 Å²	46	22%	0.223	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.7	-179.2	69.9	0	0	0	0	113.9	C83 W87	C83-C85 PolarHBondContact O-N 2.86Å; C83-C85 VanDerWaalsContact O-N 3.16Å; C83-C85 VanDerWaalsContact SG-CB 3.58Å; C83-C85 PolarHBondContact SG-SG 2.85Å; C85-W87 HydrophobicContact CB-CE3 4.35Å; C85-W87 WeakPolarHBondContact O-CZ3 3.35Å
86	G	95.7	Very high	96	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	98.3	3	177.6	0	0	0	0	0	115.7	F52 V57 S84	F52-G86 WeakPolarHBondContact CA-O 3.44Å; F52-G86 VanDerWaalsContact CD1-CA 3.44Å; F52-G86 PolarHBondContact N-O 2.89Å; V57-G86 WeakPolarHBondContact CG2-O 3.49Å; S84-G86 PolarHBondContact O-N 3.49Å
87	W	98	Very high	95.8	Very high	53 Å²	53	57 Å²	57	20%	0.201	30%	0.303	C	S	.	.	S	Bend	trans	-124.3	156.3	170.9	-63.4	-89.7	0	0	0	109.9	T48 E49 P51 C85 A89	T48-W87 HydrophobicContact CG2-CZ2 3.99Å; E49-W87 WeakPolarHBondContact O-CZ2 3.43Å; E49-W87 PolarHBondContact O-NE1 3.03Å; P51-W87 HydrophobicContact CB-CH2 3.76Å; P51-W87 HydrophobicContact CB-CZ2 3.89Å; P51-W87 HydrophobicContact CB-CZ3 4.18Å; P51-W87 HydrophobicContact CG-CH2 4.34Å; P51-W87 HydrophobicContact CG-CZ2 4.42Å; C85-W87 HydrophobicContact CB-CE3 4.35Å; C85-W87 WeakPolarHBondContact O-CZ3 3.35Å; W87-A89 PolarHBondContact O-N 3.33Å
88	P	97.8	Very high	95.8	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	30%	0.299	C	S	.	.			trans	-57.8	132	170	24.3	-33.4	0	0	0	110.3	F90 I140 S142	P88-F90 HydrophobicContact CB-CE2 4.02Å; P88-F90 HydrophobicContact CB-CZ 4.36Å; P88-I140 WeakPolarHBondContact CD-O 3.21Å; P88-I140 WeakPolarHBondContact CG-O 3.4Å; P88-I140 PolarHBondContact O-N 3.4Å; P88-S142 WeakPolarHBondContact CD-OG 3.43Å; P88-S142 WeakPolarHBondContact CG-OG 3.5Å
89	A	98.1	Very high	95.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.2	-177.1	0	0	0	0	0	110.5	K80 F81 C83 W87 R137 Y138	K80-A89 WeakPolarHBondContact CA-O 3.46Å; K80-A89 WeakPolarHBondContact CG-O 3.47Å; F81-A89 HydrophobicContact CD1-CB 4.45Å; F81-A89 HydrophobicContact CD2-CB 4.48Å; F81-A89 HydrophobicContact CE1-CB 4.02Å; F81-A89 HydrophobicContact CE2-CB 4.03Å; F81-A89 HydrophobicContact CZ-CB 3.79Å; F81-A89 PolarHBondContact N-O 3.16Å; C83-A89 HydrophobicContact CB-CB 3.47Å; C83-A89 VanDerWaalsContact CB-CB 3.47Å; W87-A89 PolarHBondContact O-N 3.33Å; A89-R137 HydrophobicContact CB-CG 4.11Å; A89-Y138 VanDerWaalsContact CA-O 3.29Å; A89-Y138 WeakPolarHBondContact CA-O 3.33Å
90	F	98.4	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.9	177	-53.5	-94.8	0	0	0	110.4	Y65 F75 A79 K80 F81 P88 Y138 I140 L145	Y65-F90 HydrophobicContact CD1-CZ 4.15Å; Y65-F90 AromaticContact CD2-CE1 3.5Å; Y65-F90 HydrophobicContact CD2-CE1 3.5Å; Y65-F90 AromaticContact CD2-CZ 3.73Å; Y65-F90 HydrophobicContact CD2-CZ 3.73Å; Y65-F90 HydrophobicContact CE1-CZ 4.33Å; Y65-F90 AromaticContact CE2-CE1 3.69Å; Y65-F90 HydrophobicContact CE2-CE1 3.69Å; Y65-F90 AromaticContact CE2-CZ 3.96Å; Y65-F90 HydrophobicContact CE2-CZ 3.96Å; Y65-F90 HydrophobicContact CG-CE1 4.07Å; Y65-F90 AromaticContact CG-CZ 3.83Å; Y65-F90 HydrophobicContact CG-CZ 3.83Å; F75-F90 HydrophobicContact CB-CD1 3.47Å; F75-F90 VanDerWaalsContact CB-CD1 3.47Å; F75-F90 HydrophobicContact CB-CD2 4.31Å; F75-F90 HydrophobicContact CB-CE1 3.58Å; F75-F90 HydrophobicContact CB-CE2 4.42Å; F75-F90 HydrophobicContact CB-CG 3.85Å; F75-F90 HydrophobicContact CB-CZ 4.08Å; F75-F90 HydrophobicContact CD1-CB 3.57Å; F75-F90 HydrophobicContact CD1-CD1 4.13Å; F75-F90 HydrophobicContact CD1-CD2 4.04Å; F75-F90 AromaticContact CD1-CG 3.66Å; F75-F90 HydrophobicContact CD1-CG 3.66Å; F75-F90 HydrophobicContact CD2-CD2 4.1Å; F75-F90 HydrophobicContact CD2-CE2 4.17Å; F75-F90 HydrophobicContact CD2-CG 4.39Å; F75-F90 HydrophobicContact CE1-CB 4.02Å; F75-F90 HydrophobicContact CE1-CD2 4.41Å; F75-F90 HydrophobicContact CE1-CG 4.32Å; F75-F90 HydrophobicContact CE2-CD2 4.48Å; F75-F90 HydrophobicContact CG-CB 4.16Å; F75-F90 AromaticContact CG-CD1 3.89Å; F75-F90 HydrophobicContact CG-CD1 3.89Å; F75-F90 AromaticContact CG-CD2 3.88Å; F75-F90 HydrophobicContact CG-CD2 3.88Å; F75-F90 HydrophobicContact CG-CE1 4.21Å; F75-F90 HydrophobicContact CG-CE2 4.22Å; F75-F90 AromaticContact CG-CG 3.71Å; F75-F90 HydrophobicContact CG-CG 3.71Å; F75-F90 HydrophobicContact CG-CZ 4.37Å; A79-F90 CarbonylContact O-C 3.56Å; A79-F90 VanDerWaalsContact O-CA 3.25Å; A79-F90 WeakPolarHBondContact O-CA 3.38Å; K80-F90 HydrophobicContact CB-CD1 3.7Å; K80-F90 HydrophobicContact CB-CE1 3.64Å; K80-F90 HydrophobicContact CD-CE1 4.05Å; K80-F90 HydrophobicContact CD-CZ 4.24Å; K80-F90 HydrophobicContact CG-CD1 4.12Å; K80-F90 HydrophobicContact CG-CE1 3.85Å; K80-F90 HydrophobicContact CG-CZ 4.3Å; F81-F90 VanDerWaalsContact CE1-C 3.41Å; P88-F90 HydrophobicContact CB-CE2 4.02Å; P88-F90 HydrophobicContact CB-CZ 4.36Å; F90-Y138 PolarHBondContact N-O 3.24Å; F90-Y138 WeakPolarHBondContact O-CB 3.43Å; F90-Y138 WeakPolarHBondContact O-CD2 3.45Å; F90-Y138 PolarHBondContact O-N 3.16Å; F90-I140 HydrophobicContact CD2-CB 4.47Å; F90-I140 HydrophobicContact CD2-CG1 4.04Å; F90-I140 HydrophobicContact CE2-CB 4.29Å; F90-I140 HydrophobicContact CE2-CG1 4.31Å; F90-L145 HydrophobicContact CE2-CD1 4.02Å; F90-L145 HydrophobicContact CZ-CD1 4.13Å
91	N	97.8	Very high	95.9	Very high	40 Å²	40	53.7 Å²	53.7	21%	0.214	29%	0.29	C	S	.	.	S	Bend	trans	-89.9	-19.1	-178.7	64.4	47.2	0	0	0	113.5	A79 F81 P131 T134 L136	A79-N91 PolarHBondContact O-N 2.87Å; A79-N91 PolarHBondContact O-ND2 3.2Å; F81-N91 HydrophobicContact CD1-CB 4Å; F81-N91 HydrophobicContact CE1-CB 3.98Å; N91-P131 HydrophobicContact CB-CG 3.96Å; N91-T134 PolarHBondContact O-OG1 3.43Å; N91-L136 WeakPolarHBondContact CA-O 3.36Å
92	S	97.5	Very high	96	Very high	39 Å²	39	53.7 Å²	53.7	27%	0.273	30%	0.295	S	S	.	.	S	Bend	trans	-157.2	153.7	178.7	68.6	0	0	0	0	111.6	F75 A79	F75-S92 WeakPolarHBondContact CD1-O 3.29Å; A79-S92 WeakPolarHBondContact CB-O 3.49Å
93	P	97.9	Very high	96.2	Very high	30 Å²	30	51.2 Å²	51.2	20%	0.195	29%	0.293	C	S	.	.			trans	-66.6	164.7	165.4	29.5	-34.4	0	0	0	111.6	E95 L99	P93-E95 VanDerWaalsContact C-N 3.34Å; P93-E95 WeakPolarHBondContact CB-O 3.22Å; P93-L99 HydrophobicContact CB-CD1 3.7Å; P93-L99 HydrophobicContact CB-CG 4.1Å; P93-L99 HydrophobicContact CG-CD1 4.34Å
94	I	97	Very high	96.4	Very high	52 Å²	52	50.6 Å²	50.6	27%	0.267	29%	0.288	S	S	.	.	S	Bend	trans	-68.1	-34.3	172.9	-162.7	175.5	0	0	0	112.6	I64 K73 L74	I64-I94 HydrophobicContact CD1-CD1 3.72Å; I64-I94 HydrophobicContact CG1-CD1 4.4Å; I64-I94 HydrophobicContact CG2-CD1 3.94Å; K73-I94 HydrophobicContact CB-CD1 4.07Å; K73-I94 HydrophobicContact CB-CG2 4.02Å; K73-I94 HydrophobicContact CD-CD1 4.24Å; L74-I94 WeakPolarHBondContact O-CG2 3.21Å; L74-I94 PolarHBondContact O-N 2.78Å
95	E	95.1	Very high	96.6	Very high	119 Å²	119	51.9 Å²	51.9	56%	0.556	29%	0.287	S	S	*	.	S	Bend	trans	-140.1	147.8	-179.9	-71.7	174.4	-165.3	0	0	109.3	P93 N97 S98	P93-E95 VanDerWaalsContact C-N 3.34Å; P93-E95 WeakPolarHBondContact CB-O 3.22Å; E95-N97 PolarHBondContact O-N 2.8Å; E95-S98 PolarHBondContact O-N 3.08Å; E95-S98 PolarHBondContact O-OG 3.01Å; E95-S98 VanDerWaalsContact O-OG 3.08Å
96	C	90.5	Very high	96.5	Very high	140 Å²	140	55 Å²	55	95%	0.946	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.1	-176.5	-69.4	0	0	0	0	114.1
97	N	93.5	Very high	96.1	Very high	111 Å²	111	57.8 Å²	57.8	59%	0.594	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	17	-176.3	-167.4	38.6	0	0	0	113.1	E95 L99 K117	E95-N97 PolarHBondContact O-N 2.8Å; N97-L99 VanDerWaalsContact C-N 3.3Å; N97-K117 WeakPolarHBondContact O-CB 3.41Å; N97-K117 WeakPolarHBondContact O-CG 3.44Å
98	S	96.9	Very high	95.7	Very high	11 Å²	11	58.9 Å²	58.9	8%	0.077	36%	0.357	C	S	.	.	S	Bend	trans	-78	-16.7	177.4	64.3	0	0	0	0	113.2	K73 E95 K117	K73-S98 WeakPolarHBondContact O-CB 3.29Å; E95-S98 PolarHBondContact O-N 3.08Å; E95-S98 PolarHBondContact O-OG 3.01Å; E95-S98 VanDerWaalsContact O-OG 3.08Å; S98-K117 WeakPolarHBondContact O-CB 3.44Å; S98-K117 PolarHBondContact O-N 3.03Å
99	L	98.4	Very high	95.4	Very high	21 Å²	21	65.6 Å²	65.6	11%	0.11	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	154	-173.6	-54.5	179	0	0	0	112.3	L74 F75 P93 N97 V114 S115 L123 Y138	L74-L99 HydrophobicContact CD2-CD2 3.84Å; F75-L99 HydrophobicContact CE1-CD1 3.94Å; F75-L99 HydrophobicContact CE2-CD2 4.47Å; F75-L99 HydrophobicContact CZ-CD1 3.73Å; F75-L99 HydrophobicContact CZ-CD2 4.19Å; P93-L99 HydrophobicContact CB-CD1 3.7Å; P93-L99 HydrophobicContact CB-CG 4.1Å; P93-L99 HydrophobicContact CG-CD1 4.34Å; N97-L99 VanDerWaalsContact C-N 3.3Å; L99-V114 HydrophobicContact CB-CG1 4.26Å; L99-V114 HydrophobicContact CD1-CG1 3.73Å; L99-V114 HydrophobicContact CD2-CG1 3.92Å; L99-V114 HydrophobicContact CG-CG1 4.19Å; L99-S115 CarbonylContact C-O 3.35Å; L99-S115 WeakPolarHBondContact CA-O 3.29Å; L99-L123 HydrophobicContact CD2-CD1 3.67Å; L99-Y138 HydrophobicContact CD1-CD1 3.85Å; L99-Y138 HydrophobicContact CD1-CE1 3.58Å
100	I	98.1	Very high	95.3	Very high	49 Å²	49	71 Å²	71	25%	0.251	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.6	165.2	-61.7	166.5	0	0	0	107	S115 K117	I100-S115 PolarHBondContact N-O 3.27Å; I100-S115 PolarHBondContact O-N 2.91Å; I100-K117 HydrophobicContact CD1-CD 3.93Å; I100-K117 HydrophobicContact CG1-CB 4.34Å; I100-K117 HydrophobicContact CG1-CD 3.6Å
101	L	98	Very high	95.2	Very high	91 Å²	91	74 Å²	74	48%	0.476	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.7	171.8	-58.1	-175.7	0	0	0	109	V112 E113 V114 V126 Y138	L101-V112 HydrophobicContact CB-CG1 3.9Å; L101-V112 HydrophobicContact CD2-CG1 4.38Å; L101-E113 WeakPolarHBondContact CA-O 3.29Å; L101-V114 HydrophobicContact CD2-CB 4.39Å; L101-V114 HydrophobicContact CD2-CG1 4.47Å; L101-V114 HydrophobicContact CD2-CG2 3.76Å; L101-V126 HydrophobicContact CD2-CG1 4Å; L101-Y138 HydrophobicContact CD2-CE1 4.41Å
102	S	97.6	Very high	95.2	Very high	45 Å²	45	74.5 Å²	74.5	32%	0.315	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.8	178.6	64.3	0	0	0	0	111.6	D104 V112 E113	S102-D104 PolarHBondContact O-N 2.86Å; S102-V112 CarbonylContact O-C 3.5Å; S102-V112 WeakPolarHBondContact O-CA 3.45Å; S102-E113 PolarHBondContact N-O 2.9Å; S102-E113 PolarHBondContact O-N 2.84Å
103	I	97.7	Very high	95.3	Very high	125 Å²	125	72.9 Å²	72.9	64%	0.641	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	128.7	177.9	-60.6	174.3	0	0	0	108.9	L105 V110	I103-L105 HydrophobicContact CG2-CD2 3.75Å; I103-L105 HydrophobicContact CG2-CG 3.99Å; I103-V110 HydrophobicContact CG2-CG1 4.22Å
104	D	96.8	Very high	95.3	Very high	16 Å²	16	71.4 Å²	71.4	9%	0.086	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.3	174.2	174.1	23.3	0	0	0	109.8	S102 S106 R111 E113 H125	S102-D104 PolarHBondContact O-N 2.86Å; D104-S106 WeakPolarHBondContact OD1-CB 3.35Å; D104-S106 PolarHBondContact OD1-N 3.22Å; D104-S106 PolarHBondContact OD1-OG 2.95Å; D104-S106 PolarHBondContact OD2-OG 3.45Å; D104-R111 HydrophobicContact CB-CB 4.4Å; D104-R111 PolarHBondContact N-O 3.19Å; D104-R111 PolarHBondContact O-N 2.85Å; D104-R111 IonicContact OD2-CZ 3.83Å; D104-R111 IonicContact OD2-NE 3.23Å; D104-R111 PolarHBondContact OD2-NE 2.96Å; D104-R111 IonicContact OD2-NH2 3.85Å; D104-R111 PolarHBondContact OD2-NH2 3.33Å; D104-E113 HydrophobicContact CB-CB 4.06Å; D104-H125 IonicContact OD2-CD2 3.52Å; D104-H125 IonicContact OD2-CE1 2.61Å; D104-H125 IonicContact OD2-NE2 2.76Å; D104-H125 PolarHBondContact OD2-NE2 2.96Å
105	L	94.9	Very high	95.4	Very high	113 Å²	113	69.1 Å²	69.1	59%	0.592	40%	0.403	S	S	*	.			trans	-110.8	7.4	179.2	-56.3	179.2	0	0	0	112.5	I103 S107 G108 V110	I103-L105 HydrophobicContact CG2-CD2 3.75Å; I103-L105 HydrophobicContact CG2-CG 3.99Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 2.81Å; L105-G108 PolarHBondContact O-N 3.14Å; L105-V110 HydrophobicContact CD2-CB 4.37Å; L105-V110 HydrophobicContact CD2-CG1 4.47Å; L105-V110 HydrophobicContact CD2-CG2 3.86Å
106	S	91.5	Very high	95.5	Very high	97 Å²	97	63.4 Å²	63.4	68%	0.678	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-24	-170.9	60.2	0	0	0	0	114.4	D104	D104-S106 WeakPolarHBondContact OD1-CB 3.35Å; D104-S106 PolarHBondContact OD1-N 3.22Å; D104-S106 PolarHBondContact OD1-OG 2.95Å; D104-S106 PolarHBondContact OD2-OG 3.45Å
107	S	87.4	Confident	95.9	Very high	60 Å²	60	62 Å²	62	42%	0.42	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	6.8	-180	63.7	0	0	0	0	114.2	L105 E109 R111	L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 2.81Å; S107-E109 PolarHBondContact O-N 3.42Å; S107-R111 VanDerWaalsContact OG-CZ 3.32Å; S107-R111 PolarHBondContact OG-NE 3.01Å
108	G	89.8	Confident	96.1	Very high	76 Å²	76	59.4 Å²	59.4	78%	0.784	36%	0.355	S	S	*	.	S	Bend	trans	78.9	-5.1	-175.1	0	0	0	0	0	114.9	L105	L105-G108 PolarHBondContact O-N 3.14Å
109	E	91.2	Very high	96.1	Very high	141 Å²	141	61 Å²	61	66%	0.659	37%	0.365	S	S	*	.	S	Bend	trans	-115	151.6	173.1	-66.4	177.3	170	0	0	109.6	S107 R111	S107-E109 PolarHBondContact O-N 3.42Å; E109-R111 PolarHBondContact O-N 2.73Å
110	V	95.1	Very high	96	Very high	115 Å²	115	65 Å²	65	70%	0.697	39%	0.386	S	S	*	.			trans	-77.5	111.8	176	-177.8	0	0	0	0	108.9	I103 L105	I103-V110 HydrophobicContact CG2-CG1 4.22Å; L105-V110 HydrophobicContact CD2-CB 4.37Å; L105-V110 HydrophobicContact CD2-CG1 4.47Å; L105-V110 HydrophobicContact CD2-CG2 3.86Å
111	R	96.9	Very high	96	Very high	62 Å²	62	62.7 Å²	62.7	23%	0.234	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	164.2	173.2	-56.4	-175.7	-58.5	-177.4	1.3	110.2	D104 S107 E109	D104-R111 HydrophobicContact CB-CB 4.4Å; D104-R111 PolarHBondContact N-O 3.19Å; D104-R111 PolarHBondContact O-N 2.85Å; D104-R111 IonicContact OD2-CZ 3.83Å; D104-R111 IonicContact OD2-NE 3.23Å; D104-R111 PolarHBondContact OD2-NE 2.96Å; D104-R111 IonicContact OD2-NH2 3.85Å; D104-R111 PolarHBondContact OD2-NH2 3.33Å; S107-R111 VanDerWaalsContact OG-CZ 3.32Å; S107-R111 PolarHBondContact OG-NE 3.01Å; E109-R111 PolarHBondContact O-N 2.73Å
112	V	97.9	Very high	96	Very high	52 Å²	52	58.4 Å²	58.4	32%	0.315	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107	173.5	-176.1	0	0	0	0	108.8	L101 S102 H125 V126	L101-V112 HydrophobicContact CB-CG1 3.9Å; L101-V112 HydrophobicContact CD2-CG1 4.38Å; S102-V112 CarbonylContact O-C 3.5Å; S102-V112 WeakPolarHBondContact O-CA 3.45Å; V112-H125 WeakPolarHBondContact O-CA 3.41Å; V112-H125 WeakPolarHBondContact O-CB 3.11Å; V112-H125 PolarHBondContact O-CD2 3.07Å; V112-V126 HydrophobicContact CB-CG1 3.72Å; V112-V126 HydrophobicContact CG1-CG1 3.61Å; V112-V126 PolarHBondContact O-N 3.25Å
113	E	98.4	Very high	96.1	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.019	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.2	174.3	175.1	177.4	-160.1	0	0	110.3	K46 L101 S102 D104 S115 H122	K46-E113 WeakPolarHBondContact CD-OE1 3.11Å; K46-E113 WeakPolarHBondContact CE-OE1 3.49Å; K46-E113 WeakPolarHBondContact CE-OE2 3.06Å; K46-E113 IonicContact NZ-OE1 2.69Å; K46-E113 IonicContact NZ-OE2 3.85Å; K46-E113 PolarHBondContact NZ-OE2 3.04Å; L101-E113 WeakPolarHBondContact CA-O 3.29Å; S102-E113 PolarHBondContact N-O 2.9Å; S102-E113 PolarHBondContact O-N 2.84Å; D104-E113 HydrophobicContact CB-CB 4.06Å; E113-S115 PolarHBondContact OE1-OG 2.59Å; E113-H122 IonicContact OE1-CE1 3.9Å; E113-H122 IonicContact OE1-CG 3.18Å; E113-H122 IonicContact OE1-ND1 3.86Å; E113-H122 PolarHBondContact OE1-ND1 2.75Å
114	V	98.7	Very high	96.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.1	171.6	-178.3	0	0	0	0	108.3	L99 L101 L123 G124 V126 Y138 I140	L99-V114 HydrophobicContact CB-CG1 4.26Å; L99-V114 HydrophobicContact CD1-CG1 3.73Å; L99-V114 HydrophobicContact CD2-CG1 3.92Å; L99-V114 HydrophobicContact CG-CG1 4.19Å; L101-V114 HydrophobicContact CD2-CB 4.39Å; L101-V114 HydrophobicContact CD2-CG1 4.47Å; L101-V114 HydrophobicContact CD2-CG2 3.76Å; V114-L123 HydrophobicContact CG1-CB 4.41Å; V114-L123 HydrophobicContact CG1-CD1 4.21Å; V114-L123 WeakPolarHBondContact O-CB 3.41Å; V114-L123 PolarHBondContact O-N 3.19Å; V114-G124 PolarHBondContact N-O 3.3Å; V114-G124 PolarHBondContact O-N 3.47Å; V114-V126 HydrophobicContact CG2-CB 3.76Å; V114-V126 HydrophobicContact CG2-CG1 3.98Å; V114-Y138 HydrophobicContact CG1-CD1 4.3Å; V114-Y138 HydrophobicContact CG2-CD1 3.94Å; V114-Y138 HydrophobicContact CG2-CE1 4.31Å; V114-I140 HydrophobicContact CB-CD1 4.25Å; V114-I140 HydrophobicContact CG1-CD1 4.11Å
115	S	98.6	Very high	96.2	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.9	176.3	-48.1	0	0	0	0	111.3	L99 I100 E113 K117 A121	L99-S115 CarbonylContact C-O 3.35Å; L99-S115 WeakPolarHBondContact CA-O 3.29Å; I100-S115 PolarHBondContact N-O 3.27Å; I100-S115 PolarHBondContact O-N 2.91Å; E113-S115 PolarHBondContact OE1-OG 2.59Å; S115-K117 PolarHBondContact O-N 2.98Å; S115-A121 CarbonylContact C-O 3.52Å; S115-A121 VanDerWaalsContact CA-O 3.23Å; S115-A121 WeakPolarHBondContact CA-O 3.41Å; S115-A121 WeakPolarHBondContact CB-O 3.42Å
116	C	98.6	Very high	96.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	128.8	175.3	175.9	0	0	0	0	110.8	C67 L74 G118 N120 A121 L123	C67-C116 HydrophobicContact CB-CB 4.5Å; L74-C116 HydrophobicContact CD2-CB 4.26Å; C116-G118 VanDerWaalsContact C-N 3.29Å; C116-G118 PolarHBondContact O-N 3.41Å; C116-G118 PolarHBondContact SG-N 2.76Å; C116-G118 VanDerWaalsContact SG-N 3.42Å; C116-N120 WeakPolarHBondContact O-CA 3.38Å; C116-N120 PolarHBondContact O-N 3.09Å; C116-A121 HydrophobicContact CB-CB 4.27Å; C116-A121 PolarHBondContact N-O 2.79Å; C116-L123 HydrophobicContact CB-CD1 4.19Å; C116-L123 HydrophobicContact CB-CD2 4.38Å; C116-L123 HydrophobicContact CB-CG 4.44Å
117	K	98.1	Very high	96.6	Very high	109 Å²	109	44.3 Å²	44.3	47%	0.474	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.5	176.7	-176.8	65.4	171	-175.6	0	113.5	N97 S98 I100 S115	N97-K117 WeakPolarHBondContact O-CB 3.41Å; N97-K117 WeakPolarHBondContact O-CG 3.44Å; S98-K117 WeakPolarHBondContact O-CB 3.44Å; S98-K117 PolarHBondContact O-N 3.03Å; I100-K117 HydrophobicContact CD1-CD 3.93Å; I100-K117 HydrophobicContact CG1-CB 4.34Å; I100-K117 HydrophobicContact CG1-CD 3.6Å; S115-K117 PolarHBondContact O-N 2.98Å
118	G	96.7	Very high	97	Very high	58 Å²	58	48.3 Å²	48.3	60%	0.598	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-25.2	-173.6	0	0	0	0	0	115.1	C116	C116-G118 VanDerWaalsContact C-N 3.29Å; C116-G118 PolarHBondContact O-N 3.41Å; C116-G118 PolarHBondContact SG-N 2.76Å; C116-G118 VanDerWaalsContact SG-N 3.42Å
119	C	96.8	Very high	97.3	Very high	43 Å²	43	49.2 Å²	49.2	29%	0.291	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144	3.1	-175.2	65.9	0	0	0	0	115.2	C67 V69 C70 A121	C67-C119 VanDerWaalsContact SG-SG 3.69Å; V69-C119 HydrophobicContact CG1-CB 4.29Å; C70-C119 HydrophobicContact CB-CB 3.84Å; C70-C119 PolarHBondContact SG-SG 3.45Å; C119-A121 PolarHBondContact O-N 2.85Å; C119-A121 VanDerWaalsContact O-N 3.11Å; C119-A121 WeakPolarHBondContact SG-CB 3.11Å
120	N	97.3	Very high	97.5	Very high	106 Å²	106	43.3 Å²	43.3	57%	0.567	25%	0.245	S	C	*	.			trans	60	16.2	-177.6	-154.9	54.4	0	0	0	115.1	C116 H122	C116-N120 WeakPolarHBondContact O-CA 3.38Å; C116-N120 PolarHBondContact O-N 3.09Å; N120-H122 PolarHBondContact O-N 2.58Å
121	A	98.2	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.			trans	-60.6	131.9	173.8	0	0	0	0	0	110.7	T43 V69 S115 C116 C119 L123	T43-A121 HydrophobicContact CG2-CB 4.31Å; T43-A121 WeakPolarHBondContact O-CA 3.03Å; V69-A121 HydrophobicContact CB-CB 4.31Å; V69-A121 HydrophobicContact CG2-CB 3.78Å; S115-A121 CarbonylContact C-O 3.52Å; S115-A121 VanDerWaalsContact CA-O 3.23Å; S115-A121 WeakPolarHBondContact CA-O 3.41Å; S115-A121 WeakPolarHBondContact CB-O 3.42Å; C116-A121 HydrophobicContact CB-CB 4.27Å; C116-A121 PolarHBondContact N-O 2.79Å; C119-A121 PolarHBondContact O-N 2.85Å; C119-A121 VanDerWaalsContact O-N 3.11Å; C119-A121 WeakPolarHBondContact SG-CB 3.11Å; A121-L123 PolarHBondContact O-N 3.24Å
122	H	98.6	Very high	97.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	132.3	170	174.7	76.9	0	0	0	110.3	V42 T43 K46 E113 N120 G124 H125	V42-H122 WeakPolarHBondContact O-CB 3.21Å; V42-H122 PolarHBondContact O-CD2 3.21Å; T43-H122 PolarHBondContact O-N 2.87Å; K46-H122 HydrophobicContact CB-CB 4.36Å; K46-H122 HydrophobicContact CG-CB 4.07Å; E113-H122 IonicContact OE1-CE1 3.9Å; E113-H122 IonicContact OE1-CG 3.18Å; E113-H122 IonicContact OE1-ND1 3.86Å; E113-H122 PolarHBondContact OE1-ND1 2.75Å; N120-H122 PolarHBondContact O-N 2.58Å; H122-G124 PolarHBondContact CE1-O 2.82Å; H122-H125 AromaticContact CE1-CE1 3.76Å
123	L	98.7	Very high	97.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-42.3	179.4	-55.9	175.8	0	0	0	111	L74 L99 V114 C116 A121 I140 N141 A144	L74-L123 HydrophobicContact CD1-CD1 3.65Å; L74-L123 HydrophobicContact CD1-CD2 3.78Å; L74-L123 HydrophobicContact CD1-CG 4.38Å; L74-L123 HydrophobicContact CD2-CD1 4.02Å; L74-L123 HydrophobicContact CG-CD1 4.4Å; L99-L123 HydrophobicContact CD2-CD1 3.67Å; V114-L123 HydrophobicContact CG1-CB 4.41Å; V114-L123 HydrophobicContact CG1-CD1 4.21Å; V114-L123 WeakPolarHBondContact O-CB 3.41Å; V114-L123 PolarHBondContact O-N 3.19Å; C116-L123 HydrophobicContact CB-CD1 4.19Å; C116-L123 HydrophobicContact CB-CD2 4.38Å; C116-L123 HydrophobicContact CB-CG 4.44Å; A121-L123 PolarHBondContact O-N 3.24Å; L123-I140 HydrophobicContact CB-CD1 4.11Å; L123-I140 HydrophobicContact CB-CG2 4.08Å; L123-N141 PolarHBondContact O-N 3.19Å; L123-N141 PolarHBondContact O-ND2 3.1Å; L123-A144 HydrophobicContact CD2-CB 3.9Å
124	G	98.3	Very high	97.3	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.2	-141	-178.2	0	0	0	0	0	110.8	V114 H122 C139	V114-G124 PolarHBondContact N-O 3.3Å; V114-G124 PolarHBondContact O-N 3.47Å; H122-G124 PolarHBondContact CE1-O 2.82Å; G124-C139 WeakPolarHBondContact CA-O 3.03Å
125	H	98.1	Very high	97.2	Very high	13 Å²	13	54.4 Å²	54.4	6%	0.06	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.5	-177.3	-63.6	83.7	0	0	0	111.7	D104 V112 H122 F127 C139	D104-H125 IonicContact OD2-CD2 3.52Å; D104-H125 IonicContact OD2-CE1 2.61Å; D104-H125 IonicContact OD2-NE2 2.76Å; D104-H125 PolarHBondContact OD2-NE2 2.96Å; V112-H125 WeakPolarHBondContact O-CA 3.41Å; V112-H125 WeakPolarHBondContact O-CB 3.11Å; V112-H125 PolarHBondContact O-CD2 3.07Å; H122-H125 AromaticContact CE1-CE1 3.76Å; H125-F127 HydrophobicContact CB-CE2 3.79Å; H125-F127 HydrophobicContact CB-CZ 3.88Å; H125-C139 PolarHBondContact N-O 3.49Å; H125-C139 PolarHBondContact O-N 2.79Å
126	V	98.2	Very high	97.2	Very high	16 Å²	16	57.2 Å²	57.2	10%	0.097	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.1	174.2	62.5	0	0	0	0	110.6	L101 V112 V114 L136 R137 Y138	L101-V126 HydrophobicContact CD2-CG1 4Å; V112-V126 HydrophobicContact CB-CG1 3.72Å; V112-V126 HydrophobicContact CG1-CG1 3.61Å; V112-V126 PolarHBondContact O-N 3.25Å; V114-V126 HydrophobicContact CG2-CB 3.76Å; V114-V126 HydrophobicContact CG2-CG1 3.98Å; V126-L136 HydrophobicContact CG2-CB 4.32Å; V126-L136 HydrophobicContact CG2-CD2 4.35Å; V126-R137 WeakPolarHBondContact CA-O 3.38Å; V126-Y138 HydrophobicContact CB-CD1 4.08Å; V126-Y138 HydrophobicContact CB-CE1 4.15Å; V126-Y138 HydrophobicContact CG2-CD1 4.06Å; V126-Y138 HydrophobicContact CG2-CD2 4.19Å; V126-Y138 HydrophobicContact CG2-CE1 3.95Å; V126-Y138 HydrophobicContact CG2-CE2 4.08Å; V126-Y138 HydrophobicContact CG2-CG 4.17Å
127	F	97.4	Very high	97.1	Very high	69 Å²	69	58.2 Å²	58.2	30%	0.303	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.5	-178.9	-57	-87.7	0	0	0	110.4	H125 D129 L136 R137 C139	H125-F127 HydrophobicContact CB-CE2 3.79Å; H125-F127 HydrophobicContact CB-CZ 3.88Å; F127-D129 VanDerWaalsContact CB-OD1 3.28Å; F127-D129 WeakPolarHBondContact CB-OD1 3.48Å; F127-L136 CarbonylContact O-C 3.55Å; F127-L136 WeakPolarHBondContact O-CA 3.27Å; F127-R137 PolarHBondContact N-O 2.88Å; F127-R137 PolarHBondContact O-N 3.2Å; F127-C139 HydrophobicContact CD2-CB 3.97Å; F127-C139 HydrophobicContact CE2-CB 3.7Å
128	D	96	Very high	97.2	Very high	144 Å²	144	53.9 Å²	53.9	77%	0.77	31%	0.31	S	S	*	.	S	Bend	trans	-96.8	21.6	-177.9	61.7	-20.9	0	0	0	113.7	G135	D128-G135 CarbonylContact C-O 3.57Å; D128-G135 WeakPolarHBondContact CA-O 3.25Å
129	D	96.3	Very high	97.2	Very high	96 Å²	96	51.8 Å²	51.8	51%	0.513	29%	0.286	S	S	.	.			trans	-110.4	21.5	-179.6	68.7	-13.4	0	0	0	112.7	F127 G135 R137	F127-D129 VanDerWaalsContact CB-OD1 3.28Å; F127-D129 WeakPolarHBondContact CB-OD1 3.48Å; D129-G135 PolarHBondContact N-O 3.32Å; D129-R137 VanDerWaalsContact CG-NH2 3.3Å; D129-R137 WeakPolarHBondContact OD1-CB 3.46Å; D129-R137 IonicContact OD1-CZ 2.81Å; D129-R137 VanDerWaalsContact OD1-CZ 3.29Å; D129-R137 IonicContact OD1-NE 3.41Å; D129-R137 PolarHBondContact OD1-NE 3.43Å; D129-R137 IonicContact OD1-NH2 3.44Å; D129-R137 PolarHBondContact OD1-NH2 3.14Å; D129-R137 IonicContact OD2-CZ 3.54Å; D129-R137 IonicContact OD2-NE 2.74Å; D129-R137 PolarHBondContact OD2-NE 3.04Å; D129-R137 IonicContact OD2-NH2 3.82Å; D129-R137 PolarHBondContact OD2-NH2 3.24Å
130	G	95.6	Very high	97.3	Very high	17 Å²	17	49.8 Å²	49.8	18%	0.175	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-79.7	172.6	-179.8	0	0	0	0	0	114.3	G135	G130-G135 PolarHBondContact N-O 3.04Å
131	P	96	Very high	97.4	Very high	50 Å²	50	44.8 Å²	44.8	33%	0.325	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-67.5	153	175.1	29.6	-35	0	0	0	111.7	F81 N91 G135	F81-P131 HydrophobicContact CD1-CG 3.92Å; F81-P131 HydrophobicContact CD2-CG 4.19Å; F81-P131 HydrophobicContact CE1-CG 3.88Å; F81-P131 HydrophobicContact CE2-CG 4.2Å; F81-P131 HydrophobicContact CG-CG 4.07Å; F81-P131 HydrophobicContact CZ-CG 4.03Å; N91-P131 HydrophobicContact CB-CG 3.96Å; P131-G135 PolarHBondContact O-N 3.08Å
132	K	96	Very high	97.4	Very high	202 Å²	202	44.8 Å²	44.8	88%	0.878	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	150	167.4	-71.3	-173	180	-178	0	110.2
133	P	95.2	Very high	97.3	Very high	130 Å²	130	45 Å²	45	84%	0.844	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.2	-18.9	9.3	34.2	-35.8	0	0	0	114.9
134	T	95.7	Very high	97.3	Very high	61 Å²	61	45 Å²	45	37%	0.374	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-33.4	-174.9	62.9	0	0	0	0	112.1	N91 L136	N91-T134 PolarHBondContact O-OG1 3.43Å; T134-L136 PolarHBondContact O-N 2.87Å; T134-L136 PolarHBondContact OG1-N 2.98Å
135	G	96.8	Very high	97.3	Very high	22 Å²	22	45 Å²	45	23%	0.227	25%	0.247	C	C	.	.			trans	68.6	8.2	-170.3	0	0	0	0	0	112.8	D128 D129 G130 P131	D128-G135 CarbonylContact C-O 3.57Å; D128-G135 WeakPolarHBondContact CA-O 3.25Å; D129-G135 PolarHBondContact N-O 3.32Å; G130-G135 PolarHBondContact N-O 3.04Å; P131-G135 PolarHBondContact O-N 3.08Å
136	L	98	Very high	97.3	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.325	26%	0.262	S	S	.	.			trans	-105.5	139.7	-175.3	-63.7	179.3	0	0	0	111.4	N91 V126 F127 T134 Y138	N91-L136 WeakPolarHBondContact CA-O 3.36Å; V126-L136 HydrophobicContact CG2-CB 4.32Å; V126-L136 HydrophobicContact CG2-CD2 4.35Å; F127-L136 CarbonylContact O-C 3.55Å; F127-L136 WeakPolarHBondContact O-CA 3.27Å; T134-L136 PolarHBondContact O-N 2.87Å; T134-L136 PolarHBondContact OG1-N 2.98Å; L136-Y138 HydrophobicContact CB-CE2 4.02Å; L136-Y138 HydrophobicContact CD1-CE2 4.23Å
137	R	98.1	Very high	97.3	Very high	22 Å²	22	48.2 Å²	48.2	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	106.1	172.6	177.7	169.2	61.7	78.9	6.1	109.7	F81 C83 A89 V126 F127 D129 C139	F81-R137 HydrophobicContact CE1-CG 4.49Å; F81-R137 HydrophobicContact CZ-CB 4.02Å; F81-R137 HydrophobicContact CZ-CG 3.72Å; C83-R137 VanDerWaalsContact SG-CD 3.51Å; A89-R137 HydrophobicContact CB-CG 4.11Å; V126-R137 WeakPolarHBondContact CA-O 3.38Å; F127-R137 PolarHBondContact N-O 2.88Å; F127-R137 PolarHBondContact O-N 3.2Å; D129-R137 VanDerWaalsContact CG-NH2 3.3Å; D129-R137 WeakPolarHBondContact OD1-CB 3.46Å; D129-R137 IonicContact OD1-CZ 2.81Å; D129-R137 VanDerWaalsContact OD1-CZ 3.29Å; D129-R137 IonicContact OD1-NE 3.41Å; D129-R137 PolarHBondContact OD1-NE 3.43Å; D129-R137 IonicContact OD1-NH2 3.44Å; D129-R137 PolarHBondContact OD1-NH2 3.14Å; D129-R137 IonicContact OD2-CZ 3.54Å; D129-R137 IonicContact OD2-NE 2.74Å; D129-R137 PolarHBondContact OD2-NE 3.04Å; D129-R137 IonicContact OD2-NH2 3.82Å; D129-R137 PolarHBondContact OD2-NH2 3.24Å; R137-C139 PolarHBondContact O-N 3.44Å
138	Y	98.4	Very high	97.3	Very high	18 Å²	18	48.4 Å²	48.4	7%	0.071	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	103.6	168.3	-66.6	-97.7	0	0	0	108.3	F75 A89 F90 L99 L101 V114 V126 L136	F75-Y138 AromaticContact CE1-CD1 3.98Å; F75-Y138 HydrophobicContact CE1-CD1 3.98Å; F75-Y138 AromaticContact CE1-CG 3.87Å; F75-Y138 HydrophobicContact CE1-CG 3.87Å; F75-Y138 HydrophobicContact CZ-CD1 4.13Å; F75-Y138 HydrophobicContact CZ-CG 4.31Å; A89-Y138 VanDerWaalsContact CA-O 3.29Å; A89-Y138 WeakPolarHBondContact CA-O 3.33Å; F90-Y138 PolarHBondContact N-O 3.24Å; F90-Y138 WeakPolarHBondContact O-CB 3.43Å; F90-Y138 WeakPolarHBondContact O-CD2 3.45Å; F90-Y138 PolarHBondContact O-N 3.16Å; L99-Y138 HydrophobicContact CD1-CD1 3.85Å; L99-Y138 HydrophobicContact CD1-CE1 3.58Å; L101-Y138 HydrophobicContact CD2-CE1 4.41Å; V114-Y138 HydrophobicContact CG1-CD1 4.3Å; V114-Y138 HydrophobicContact CG2-CD1 3.94Å; V114-Y138 HydrophobicContact CG2-CE1 4.31Å; V126-Y138 HydrophobicContact CB-CD1 4.08Å; V126-Y138 HydrophobicContact CB-CE1 4.15Å; V126-Y138 HydrophobicContact CG2-CD1 4.06Å; V126-Y138 HydrophobicContact CG2-CD2 4.19Å; V126-Y138 HydrophobicContact CG2-CE1 3.95Å; V126-Y138 HydrophobicContact CG2-CE2 4.08Å; V126-Y138 HydrophobicContact CG2-CG 4.17Å; L136-Y138 HydrophobicContact CB-CE2 4.02Å; L136-Y138 HydrophobicContact CD1-CE2 4.23Å
139	C	98	Very high	97.2	Very high	13 Å²	13	42.9 Å²	42.9	9%	0.088	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	103.9	179.5	-169.2	0	0	0	0	108.6	G124 H125 F127 R137	G124-C139 WeakPolarHBondContact CA-O 3.03Å; H125-C139 PolarHBondContact N-O 3.49Å; H125-C139 PolarHBondContact O-N 2.79Å; F127-C139 HydrophobicContact CD2-CB 3.97Å; F127-C139 HydrophobicContact CE2-CB 3.7Å; R137-C139 PolarHBondContact O-N 3.44Å
140	I	98.5	Very high	96.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.7	-165	-54.4	-60.3	0	0	0	110.7	F75 P88 F90 V114 L123 L145	F75-I140 HydrophobicContact CE2-CD1 4.04Å; F75-I140 HydrophobicContact CE2-CG1 3.73Å; F75-I140 HydrophobicContact CE2-CG2 4.42Å; F75-I140 HydrophobicContact CZ-CD1 3.85Å; F75-I140 HydrophobicContact CZ-CG1 3.79Å; P88-I140 WeakPolarHBondContact CD-O 3.21Å; P88-I140 WeakPolarHBondContact CG-O 3.4Å; P88-I140 PolarHBondContact O-N 3.4Å; F90-I140 HydrophobicContact CD2-CB 4.47Å; F90-I140 HydrophobicContact CD2-CG1 4.04Å; F90-I140 HydrophobicContact CE2-CB 4.29Å; F90-I140 HydrophobicContact CE2-CG1 4.31Å; V114-I140 HydrophobicContact CB-CD1 4.25Å; V114-I140 HydrophobicContact CG1-CD1 4.11Å; L123-I140 HydrophobicContact CB-CD1 4.11Å; L123-I140 HydrophobicContact CB-CG2 4.08Å; I140-L145 HydrophobicContact CB-CD1 4.38Å; I140-L145 HydrophobicContact CG2-CD1 3.7Å; I140-L145 HydrophobicContact CG2-CD2 4.03Å; I140-L145 HydrophobicContact CG2-CG 3.88Å
141	N	98.6	Very high	95.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.011	26%	0.263	C	S	.	.			trans	-72	132.4	174.8	-67.4	-83.6	0	0	0	111.4	V42 E49 L123 C143 A144	V42-N141 HydrophobicContact CG1-CB 3.66Å; E49-N141 WeakPolarHBondContact CB-OD1 3.47Å; E49-N141 HydrophobicContact CG-CB 4.17Å; E49-N141 PolarHBondContact N-OD1 3.13Å; E49-N141 WeakPolarHBondContact OE2-CA 3.36Å; L123-N141 PolarHBondContact O-N 3.19Å; L123-N141 PolarHBondContact O-ND2 3.1Å; N141-C143 PolarHBondContact O-N 2.92Å; N141-A144 HydrophobicContact CB-CB 4.12Å; N141-A144 PolarHBondContact O-N 3.08Å
142	S	98.4	Very high	93.3	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-25.7	-71.9	157	65.6	0	0	0	0	115	E49 G54 Y56 P88 A144 L145	E49-S142 WeakPolarHBondContact OE2-CA 3.39Å; E49-S142 PolarHBondContact OE2-N 3.26Å; G54-S142 WeakPolarHBondContact CA-OG 3.23Å; Y56-S142 VanDerWaalsContact CD2-CB 3.41Å; Y56-S142 PolarHBondContact N-OG 2.99Å; P88-S142 WeakPolarHBondContact CD-OG 3.43Å; P88-S142 WeakPolarHBondContact CG-OG 3.5Å; S142-A144 PolarHBondContact O-N 3.4Å; S142-L145 PolarHBondContact O-N 3.05Å; S142-L145 VanDerWaalsContact O-N 3.14Å
143	C	97.8	Very high	91	Very high	7 Å²	7	43.5 Å²	43.5	5%	0.047	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-66.2	-21.1	-173.9	67.3	0	0	0	0	113.5	L38 E39 V42 E49 V68 N141 L145	L38-C143 HydrophobicContact CD2-CB 4.23Å; L38-C143 HydrophobicContact CG-CB 4.16Å; E39-C143 HydrophobicContact CG-CB 3.81Å; E39-C143 WeakPolarHBondContact CG-O 3.24Å; V42-C143 VanDerWaalsContact CB-SG 3.5Å; V42-C143 WeakPolarHBondContact CG2-SG 3.39Å; E49-C143 VanDerWaalsContact OE1-CB 3.29Å; E49-C143 WeakPolarHBondContact OE1-CB 3.37Å; E49-C143 PolarHBondContact OE1-N 3.17Å; E49-C143 PolarHBondContact OE1-SG 2.93Å; V68-C143 WeakPolarHBondContact CG1-O 3.34Å; N141-C143 PolarHBondContact O-N 2.92Å; C143-L145 PolarHBondContact O-N 3.18Å
144	A	98.5	Very high	88.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-73.4	-7.8	176.1	0	0	0	0	0	112.8	V42 T43 V68 L123 N141 S142	V42-A144 HydrophobicContact CG1-CB 4.32Å; T43-A144 HydrophobicContact CG2-CB 4.03Å; V68-A144 PolarHBondContact N-O 2.77Å; L123-A144 HydrophobicContact CD2-CB 3.9Å; N141-A144 HydrophobicContact CB-CB 4.12Å; N141-A144 PolarHBondContact O-N 3.08Å; S142-A144 PolarHBondContact O-N 3.4Å
145	L	98.5	Very high	86	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151	-173.1	-57.6	176.1	0	0	0	112.9	Y56 Y65 K66 L74 F75 F90 I140 S142 C143	Y56-L145 HydrophobicContact CD2-CB 4.01Å; Y56-L145 HydrophobicContact CE2-CB 3.96Å; Y56-L145 WeakPolarHBondContact CE2-O 3.37Å; Y65-L145 HydrophobicContact CD1-CB 4.23Å; Y65-L145 HydrophobicContact CD1-CD1 3.88Å; Y65-L145 HydrophobicContact CG-CD1 4.34Å; K66-L145 CarbonylContact O-C 3.51Å; K66-L145 VanDerWaalsContact O-CA 3.29Å; K66-L145 WeakPolarHBondContact O-CA 3.34Å; L74-L145 HydrophobicContact CD1-CD2 3.64Å; F75-L145 HydrophobicContact CD2-CD2 4.44Å; F90-L145 HydrophobicContact CE2-CD1 4.02Å; F90-L145 HydrophobicContact CZ-CD1 4.13Å; I140-L145 HydrophobicContact CB-CD1 4.38Å; I140-L145 HydrophobicContact CG2-CD1 3.7Å; I140-L145 HydrophobicContact CG2-CD2 4.03Å; I140-L145 HydrophobicContact CG2-CG 3.88Å; S142-L145 PolarHBondContact O-N 3.05Å; S142-L145 VanDerWaalsContact O-N 3.14Å; C143-L145 PolarHBondContact O-N 3.18Å
146	I	97.8	Very high	83.3	Confident	72 Å²	72	47.6 Å²	47.6	37%	0.369	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.7	162.1	-60.6	171.6	0	0	0	107.1	K66 V68	K66-I146 PolarHBondContact N-O 3.31Å; K66-I146 PolarHBondContact O-N 2.96Å; V68-I146 HydrophobicContact CB-CD1 4.28Å; V68-I146 HydrophobicContact CB-CG1 4.09Å; V68-I146 HydrophobicContact CG2-CD1 3.9Å; V68-I146 HydrophobicContact CG2-CG1 3.91Å
147	L	98.1	Very high	80.8	Confident	25 Å²	25	52.8 Å²	52.8	13%	0.131	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.3	172.7	179.7	59.3	0	0	0	109.8	Y56 E59 Y65	Y56-L147 HydrophobicContact CE1-CB 3.85Å; Y56-L147 HydrophobicContact CE2-CB 4.5Å; Y56-L147 PolarHBondContact OH-N 3.45Å; Y56-L147 VanDerWaalsContact OH-N 3.08Å; E59-L147 HydrophobicContact CG-CD2 3.83Å; Y65-L147 HydrophobicContact CD1-CB 4.25Å; Y65-L147 HydrophobicContact CD1-CD1 4.21Å; Y65-L147 HydrophobicContact CD2-CD1 4.06Å; Y65-L147 HydrophobicContact CE1-CB 4.12Å; Y65-L147 HydrophobicContact CE1-CD1 4.06Å; Y65-L147 HydrophobicContact CE1-CD2 4.44Å; Y65-L147 HydrophobicContact CE1-CG 4.44Å; Y65-L147 HydrophobicContact CE2-CD1 3.88Å; Y65-L147 HydrophobicContact CG-CD1 4.23Å
148	D	96.9	Very high	78.3	Confident	73 Å²	73	59.4 Å²	59.4	39%	0.39	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	97.8	163.6	-173.7	20.6	0	0	0	108	G63 I64 K66	G63-D148 CarbonylContact C-O 3.49Å; G63-D148 VanDerWaalsContact CA-O 3.23Å; G63-D148 WeakPolarHBondContact CA-O 3.15Å; I64-D148 PolarHBondContact N-O 3.19Å; I64-D148 PolarHBondContact O-N 2.92Å; K66-D148 HydrophobicContact CD-CB 4.15Å; K66-D148 VanDerWaalsContact CE-OD2 3.27Å; K66-D148 WeakPolarHBondContact CE-OD2 3.46Å; K66-D148 IonicContact NZ-OD2 3.68Å; K66-D148 PolarHBondContact NZ-OD2 2.61Å
149	S	93.1	Very high	75.7	Confident	28 Å²	28	65.9 Å²	65.9	20%	0.196	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.3	-173.2	54.7	0	0	0	0	112.2	P62 S151 S152	P62-S149 WeakPolarHBondContact O-CA 3.36Å; S149-S151 PolarHBondContact O-N 2.86Å; S149-S151 VanDerWaalsContact O-N 3.14Å; S149-S152 PolarHBondContact O-N 2.75Å; S149-S152 PolarHBondContact O-OG 3.14Å
150	D	82.2	Confident	73.7	Confident	106 Å²	106	71 Å²	71	57%	0.567	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-64.3	-21.1	-178.3	-60.9	-32.7	0	0	0	113.2	P62 S152	P62-D150 PolarHBondContact O-N 3.45Å; D150-S152 VanDerWaalsContact C-N 3.32Å; D150-S152 PolarHBondContact O-N 2.63Å
151	S	68.8	Low	71.8	Confident	84 Å²	84	77.5 Å²	77.5	59%	0.587	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-79.1	-7.9	179.8	52.8	0	0	0	0	114.7	S149	S149-S151 PolarHBondContact O-N 2.86Å; S149-S151 VanDerWaalsContact O-N 3.14Å
152	S	55.1	Low	70.4	Confident	80 Å²	80	85.7 Å²	85.7	56%	0.559	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-89.2	-1.7	-173.8	64.9	0	0	0	0	115.1	S149 D150	S149-S152 PolarHBondContact O-N 2.75Å; S149-S152 PolarHBondContact O-OG 3.14Å; D150-S152 VanDerWaalsContact C-N 3.32Å; D150-S152 PolarHBondContact O-N 2.63Å
153	S	47.5	Very low	69	Low	108 Å²	108	90 Å²	90	76%	0.755	58%	0.577	S	S	*	*			trans	-108.3	62.6	174.3	61.9	0	0	0	0	112.5
154	S	42.9	Very low	67.4	Low	106 Å²	106	94.4 Å²	94.4	74%	0.741	61%	0.605	S	S	*	*			trans	-132.3	64.4	161.7	68.7	0	0	0	0	110.4
155	S	43.5	Very low	65.7	Low	122 Å²	122	99.6 Å²	99.6	85%	0.853	64%	0.639	S	S	*	*	S	Bend	trans	-130.9	105.5	166	-65.9	0	0	0	0	108.6
156	G	39.9	Very low	63.8	Low	70 Å²	70	105.5 Å²	105.5	72%	0.722	68%	0.677	S	S	*	*			trans	95.3	75.2	154.5	0	0	0	0	0	117.8
157	L	45.9	Very low	61.7	Low	172 Å²	172	107.6 Å²	107.6	90%	0.901	70%	0.696	S	S	*	*			trans	-105.1	81.9	144.3	-76.6	171.9	0	0	0	108	L159	L157-L159 PolarHBondContact O-N 3.34Å
158	N	45	Very low	59.2	Low	160 Å²	160	113.1 Å²	113.1	86%	0.856	73%	0.733	S	S	*	*			trans	-77.8	101.9	158	-85.1	-34.6	0	0	0	106.6	P160	N158-P160 WeakPolarHBondContact O-CD 3.38Å
159	L	45.5	Very low	56.5	Low	155 Å²	155	115.9 Å²	115.9	81%	0.812	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-81.5	117	167	-149.5	82.6	0	0	0	107.3	L157 T161	L157-L159 PolarHBondContact O-N 3.34Å; L159-T161 PolarHBondContact O-N 3.29Å
160	P	55.2	Low	53.7	Low	119 Å²	119	122.7 Å²	122.7	77%	0.773	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.1	121.4	174	26.1	-29.8	0	0	0	109.2	N158	N158-P160 WeakPolarHBondContact O-CD 3.38Å
161	T	58.9	Low	51.4	Low	139 Å²	139	124.1 Å²	124.1	85%	0.853	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-71.9	124.2	162.8	48.7	0	0	0	0	108.3	L159	L159-T161 PolarHBondContact O-N 3.29Å
162	A	68.1	Low	49.8	Very low	174 Å²	174	127.7 Å²	127.7	100%	1.438	84%	0.842	S	S	*	*			trans	-70.2	0	169.6	0	0	0	0	0	111.7

Retrieved 162 of 162 residues in 176.7 ms (Link to these results)

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