MGRA_STAAM Loading...

HTH-type transcriptional regulator MgrA

Regulatory protein involved in autolytic activity, multidrug resistance and virulence.

AlphaFold DB (Q2G0B1), UniProt , Accession Q99VT5, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene mgrA, Length 147 aa.

						>MGRA_STAAM|Q99VT5|mgrA
MSDQHNLKEQLCFSLYNAQRQVNRYYSNKVFKKYNLTYPQFLVLTILWDESPVNVKKVVTELALDTGTVSPLLKRMEQVDLIKRERSEVDQREVFIHLTDKSETIRPELSNASDKVASASSLSQDEVKELNRLLGKVIHAFDETKEK
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	72.4	Confident	239 Å²	239	132.1 Å²	132.1	100%	1.177	66%	0.662	S	S	*	*				0	138.3	0	-62.4	-161	-152.1	0	0	106.7	D3	M1-D3 PolarHBondContact O-N 3.39Å
2	S	47.9	Very low	74.1	Confident	100 Å²	100	129.3 Å²	129.3	70%	0.699	66%	0.662	S	S	*	*			trans	-48.1	111.5	-175.9	173.3	0	0	0	0	111.3	Q4	S2-Q4 PolarHBondContact O-N 3.07Å
3	D	56.3	Low	75.8	Confident	156 Å²	156	126.4 Å²	126.4	83%	0.834	64%	0.642	S	S	*	*			trans	-65.4	77.1	161.8	-97.4	-23.6	0	0	0	107.1	M1 H5	M1-D3 PolarHBondContact O-N 3.39Å; D3-H5 PolarHBondContact O-N 3.49Å
4	Q	57.2	Low	77.1	Confident	170 Å²	170	121.2 Å²	121.2	79%	0.794	62%	0.623	S	S	*	*			trans	-76.6	84.8	176.6	-158	161.2	6.8	0	0	106.7	S2 N6	S2-Q4 PolarHBondContact O-N 3.07Å; Q4-N6 PolarHBondContact O-N 3.34Å
5	H	67.9	Low	78.4	Confident	126 Å²	126	117.1 Å²	117.1	58%	0.583	60%	0.603	S	S	*	*			trans	-51	103.9	-179.9	-124.1	63.8	0	0	0	109.5	D3 L7 Q10	D3-H5 PolarHBondContact O-N 3.49Å; H5-L7 PolarHBondContact O-N 3Å; H5-Q10 PolarHBondContact CD2-NE2 2.76Å; H5-Q10 PolarHBondContact NE2-NE2 3.35Å
6	N	84.5	Confident	79.6	Confident	70 Å²	70	118.5 Å²	118.5	37%	0.374	60%	0.599	S	S	.	*			trans	-68.5	106.7	178.5	-179.1	3.8	0	0	0	108.5	Q4 K8 E9	Q4-N6 PolarHBondContact O-N 3.34Å; N6-K8 PolarHBondContact O-N 3.4Å; N6-K8 WeakPolarHBondContact OD1-CB 3.42Å; N6-K8 PolarHBondContact OD1-N 3.21Å; N6-K8 VanDerWaalsContact OD1-N 3.13Å; N6-E9 HydrophobicContact CB-CB 4.39Å; N6-E9 HydrophobicContact CB-CG 4.25Å; N6-E9 PolarHBondContact ND2-OE1 2.84Å; N6-E9 WeakPolarHBondContact O-CB 3.4Å; N6-E9 PolarHBondContact O-N 3.39Å
7	L	88.4	Confident	80.6	Confident	95 Å²	95	115.6 Å²	115.6	50%	0.497	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-59.1	-22.7	-178.5	-64.6	-178.7	0	0	0	113.1	H5 E9 Q10 F13	H5-L7 PolarHBondContact O-N 3Å; L7-E9 VanDerWaalsContact C-N 3.27Å; L7-E9 PolarHBondContact O-N 3.21Å; L7-Q10 HydrophobicContact CD2-CG 4.38Å; L7-Q10 WeakPolarHBondContact O-CB 3.47Å; L7-Q10 PolarHBondContact O-N 2.86Å; L7-F13 HydrophobicContact CD1-CE1 4.28Å; L7-F13 HydrophobicContact CD2-CD2 4.34Å; L7-F13 HydrophobicContact CD2-CE1 4.13Å; L7-F13 HydrophobicContact CD2-CE2 3.93Å; L7-F13 HydrophobicContact CD2-CZ 3.82Å
8	K	83.5	Confident	81.5	Confident	181 Å²	181	112.3 Å²	112.3	79%	0.787	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-70.9	-23.2	175.2	-65.4	-176.6	177	-179.8	0	113.1	N6 Q10	N6-K8 PolarHBondContact O-N 3.4Å; N6-K8 WeakPolarHBondContact OD1-CB 3.42Å; N6-K8 PolarHBondContact OD1-N 3.21Å; N6-K8 VanDerWaalsContact OD1-N 3.13Å; K8-Q10 VanDerWaalsContact C-N 3.32Å
9	E	86.9	Confident	82.3	Confident	151 Å²	151	111.3 Å²	111.3	71%	0.706	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-88.7	-4.2	176.4	-69.8	166.8	-151.3	0	0	112	N6 L7 L11	N6-E9 HydrophobicContact CB-CB 4.39Å; N6-E9 HydrophobicContact CB-CG 4.25Å; N6-E9 PolarHBondContact ND2-OE1 2.84Å; N6-E9 WeakPolarHBondContact O-CB 3.4Å; N6-E9 PolarHBondContact O-N 3.39Å; L7-E9 VanDerWaalsContact C-N 3.27Å; L7-E9 PolarHBondContact O-N 3.21Å; E9-L11 PolarHBondContact O-N 3.23Å
10	Q	91.5	Very high	83	Confident	57 Å²	57	112.6 Å²	112.6	27%	0.266	57%	0.569	S	S	.	*			trans	-83	114.3	178.4	-61.7	-67	-57	0	0	110.7	H5 L7 K8 C12 F13 S14	H5-Q10 PolarHBondContact CD2-NE2 2.76Å; H5-Q10 PolarHBondContact NE2-NE2 3.35Å; L7-Q10 HydrophobicContact CD2-CG 4.38Å; L7-Q10 WeakPolarHBondContact O-CB 3.47Å; L7-Q10 PolarHBondContact O-N 2.86Å; K8-Q10 VanDerWaalsContact C-N 3.32Å; Q10-C12 VanDerWaalsContact C-N 3.33Å; Q10-C12 PolarHBondContact O-N 3.22Å; Q10-F13 HydrophobicContact CB-CB 4.06Å; Q10-F13 HydrophobicContact CB-CD2 3.61Å; Q10-F13 HydrophobicContact CB-CE2 4.5Å; Q10-F13 HydrophobicContact CB-CG 4.2Å; Q10-F13 HydrophobicContact CG-CD2 4.18Å; Q10-F13 PolarHBondContact O-N 2.76Å; Q10-S14 PolarHBondContact O-N 3.44Å; Q10-S14 PolarHBondContact O-OG 3.5Å; Q10-S14 VanDerWaalsContact O-OG 3.13Å
11	L	93.1	Very high	83.7	Confident	108 Å²	108	111.3 Å²	111.3	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-57.5	-43.7	179.8	-179.8	60.7	0	0	0	112.2	E9 F13 S14 L15 V137	E9-L11 PolarHBondContact O-N 3.23Å; L11-F13 VanDerWaalsContact C-N 3.32Å; L11-F13 PolarHBondContact O-N 3.44Å; L11-S14 WeakPolarHBondContact O-CB 3.34Å; L11-S14 PolarHBondContact O-N 3.4Å; L11-S14 VanDerWaalsContact O-N 3.12Å; L11-L15 HydrophobicContact CD1-CD1 4.21Å; L11-L15 HydrophobicContact CD1-CG 4.13Å; L11-L15 HydrophobicContact CG-CD1 4.03Å; L11-L15 HydrophobicContact CG-CG 4.39Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 3.06Å; L11-V137 HydrophobicContact CD2-CG2 4.49Å
12	C	93.8	Very high	86.5	Confident	98 Å²	98	101.4 Å²	101.4	66%	0.662	51%	0.513	S	S	*	.	H	α-helix	trans	-60.2	-41	179.2	-62.9	0	0	0	0	112.4	Q10 Y16	Q10-C12 VanDerWaalsContact C-N 3.33Å; Q10-C12 PolarHBondContact O-N 3.22Å; C12-Y16 WeakPolarHBondContact O-CB 3.23Å; C12-Y16 PolarHBondContact O-N 3.08Å; C12-Y16 VanDerWaalsContact O-N 3.08Å
13	F	95.1	Very high	88.8	Confident	92 Å²	92	99.5 Å²	99.5	40%	0.404	50%	0.496	S	S	.	.	H	α-helix	trans	-67.8	-39.7	175.6	-79.5	-100.5	0	0	0	111.2	L7 Q10 L11 N17	L7-F13 HydrophobicContact CD1-CE1 4.28Å; L7-F13 HydrophobicContact CD2-CD2 4.34Å; L7-F13 HydrophobicContact CD2-CE1 4.13Å; L7-F13 HydrophobicContact CD2-CE2 3.93Å; L7-F13 HydrophobicContact CD2-CZ 3.82Å; Q10-F13 HydrophobicContact CB-CB 4.06Å; Q10-F13 HydrophobicContact CB-CD2 3.61Å; Q10-F13 HydrophobicContact CB-CE2 4.5Å; Q10-F13 HydrophobicContact CB-CG 4.2Å; Q10-F13 HydrophobicContact CG-CD2 4.18Å; Q10-F13 PolarHBondContact O-N 2.76Å; L11-F13 VanDerWaalsContact C-N 3.32Å; L11-F13 PolarHBondContact O-N 3.44Å; F13-N17 WeakPolarHBondContact O-CB 3.47Å; F13-N17 VanDerWaalsContact O-CG 3.23Å; F13-N17 PolarHBondContact O-N 3.11Å; F13-N17 PolarHBondContact O-ND2 2.96Å
14	S	94.8	Very high	90.7	Very high	54 Å²	54	98.8 Å²	98.8	38%	0.378	48%	0.481	S	S	.	.	H	α-helix	trans	-62.4	-48.3	178.5	-62.3	0	0	0	0	111.6	Q10 L11 A18	Q10-S14 PolarHBondContact O-N 3.44Å; Q10-S14 PolarHBondContact O-OG 3.5Å; Q10-S14 VanDerWaalsContact O-OG 3.13Å; L11-S14 WeakPolarHBondContact O-CB 3.34Å; L11-S14 PolarHBondContact O-N 3.4Å; L11-S14 VanDerWaalsContact O-N 3.12Å; S14-A18 WeakPolarHBondContact O-CB 3.37Å; S14-A18 PolarHBondContact O-N 3.14Å
15	L	96.6	Very high	92.5	Very high	60 Å²	60	94.7 Å²	94.7	31%	0.314	46%	0.459	S	S	.	.	H	α-helix	trans	-61.3	-50.6	177.4	-68.2	170.8	0	0	0	111.9	L11 N17 A18 Q19 L134 V137	L11-L15 HydrophobicContact CD1-CD1 4.21Å; L11-L15 HydrophobicContact CD1-CG 4.13Å; L11-L15 HydrophobicContact CG-CD1 4.03Å; L11-L15 HydrophobicContact CG-CG 4.39Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 3.06Å; L15-N17 PolarHBondContact O-N 2.92Å; L15-A18 PolarHBondContact O-N 3.16Å; L15-Q19 PolarHBondContact O-N 2.67Å; L15-Q19 VanDerWaalsContact O-N 3.1Å; L15-L134 HydrophobicContact CD2-CD2 3.37Å; L15-V137 HydrophobicContact CD1-CG1 4Å
16	Y	97.1	Very high	93.9	Very high	139 Å²	139	89 Å²	89	55%	0.545	43%	0.433	S	S	.	.	H	α-helix	trans	-60.9	-47.5	-179.9	175.5	-98	0	0	0	111.8	C12 R20	C12-Y16 WeakPolarHBondContact O-CB 3.23Å; C12-Y16 PolarHBondContact O-N 3.08Å; C12-Y16 VanDerWaalsContact O-N 3.08Å; Y16-R20 VanDerWaalsContact O-CB 3.23Å; Y16-R20 WeakPolarHBondContact O-CB 3.34Å; Y16-R20 PolarHBondContact O-N 2.68Å
17	N	96.9	Very high	94.3	Very high	70 Å²	70	87.6 Å²	87.6	37%	0.374	43%	0.428	S	S	.	.	H	α-helix	trans	-68	-42.1	-178.6	-73.7	-38.8	0	0	0	111.6	F13 L15 R20 Q21	F13-N17 WeakPolarHBondContact O-CB 3.47Å; F13-N17 VanDerWaalsContact O-CG 3.23Å; F13-N17 PolarHBondContact O-N 3.11Å; F13-N17 PolarHBondContact O-ND2 2.96Å; L15-N17 PolarHBondContact O-N 2.92Å; N17-R20 PolarHBondContact O-N 3.22Å; N17-Q21 WeakPolarHBondContact O-CB 3.5Å; N17-Q21 VanDerWaalsContact O-CG 3.27Å; N17-Q21 WeakPolarHBondContact O-CG 3.44Å; N17-Q21 PolarHBondContact O-N 3.31Å
18	A	96.6	Very high	94.6	Very high	56 Å²	56	87.3 Å²	87.3	46%	0.463	43%	0.427	S	S	.	.	H	α-helix	trans	-58.1	-53.2	177.9	0	0	0	0	0	111	S14 L15 R20 Q21 V22	S14-A18 WeakPolarHBondContact O-CB 3.37Å; S14-A18 PolarHBondContact O-N 3.14Å; L15-A18 PolarHBondContact O-N 3.16Å; A18-R20 VanDerWaalsContact C-N 3.31Å; A18-R20 PolarHBondContact O-N 3.41Å; A18-Q21 PolarHBondContact O-N 3.21Å; A18-Q21 VanDerWaalsContact O-N 3.14Å; A18-V22 WeakPolarHBondContact O-CG2 3.46Å; A18-V22 PolarHBondContact O-N 3.18Å
19	Q	96.7	Very high	94.9	Very high	92 Å²	92	84.8 Å²	84.8	43%	0.43	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-40.7	178.4	176.9	57.9	3.1	0	0	112	L15 Q21 V22 N23	L15-Q19 PolarHBondContact O-N 2.67Å; L15-Q19 VanDerWaalsContact O-N 3.1Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-Q21 PolarHBondContact O-N 2.96Å; Q19-V22 PolarHBondContact O-N 3.01Å; Q19-N23 WeakPolarHBondContact O-CB 3.34Å; Q19-N23 PolarHBondContact O-N 2.74Å
20	R	97.4	Very high	95.2	Very high	138 Å²	138	78 Å²	78	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-62.6	-39.1	176.5	-174.8	174.5	-178.4	-177.3	0.2	112.3	Y16 N17 A18 R24	Y16-R20 VanDerWaalsContact O-CB 3.23Å; Y16-R20 WeakPolarHBondContact O-CB 3.34Å; Y16-R20 PolarHBondContact O-N 2.68Å; N17-R20 PolarHBondContact O-N 3.22Å; A18-R20 VanDerWaalsContact C-N 3.31Å; A18-R20 PolarHBondContact O-N 3.41Å; R20-R24 VanDerWaalsContact O-CB 3.23Å; R20-R24 WeakPolarHBondContact O-CB 3.13Å; R20-R24 PolarHBondContact O-N 2.6Å
21	Q	97	Very high	95.4	Very high	85 Å²	85	75.4 Å²	75.4	40%	0.397	37%	0.373	S	S	.	.	H	α-helix	trans	-66.6	-46.8	178.1	-72.9	-52	-42.1	0	0	111.9	N17 A18 Q19 N23 R24 Y25	N17-Q21 WeakPolarHBondContact O-CB 3.5Å; N17-Q21 VanDerWaalsContact O-CG 3.27Å; N17-Q21 WeakPolarHBondContact O-CG 3.44Å; N17-Q21 PolarHBondContact O-N 3.31Å; A18-Q21 PolarHBondContact O-N 3.21Å; A18-Q21 VanDerWaalsContact O-N 3.14Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-Q21 PolarHBondContact O-N 2.96Å; Q21-N23 PolarHBondContact O-N 2.6Å; Q21-R24 PolarHBondContact O-N 2.98Å; Q21-Y25 PolarHBondContact O-N 3.23Å
22	V	96.8	Very high	95.4	Very high	31 Å²	31	77 Å²	77	19%	0.188	38%	0.375	C	S	.	.	H	α-helix	trans	-60.9	-47.1	177.8	177	0	0	0	0	110.6	A18 Q19 R24 Y25 Y26 Y38 V116	A18-V22 WeakPolarHBondContact O-CG2 3.46Å; A18-V22 PolarHBondContact O-N 3.18Å; Q19-V22 PolarHBondContact O-N 3.01Å; V22-R24 PolarHBondContact O-N 2.52Å; V22-Y25 PolarHBondContact O-N 2.68Å; V22-Y26 HydrophobicContact CG1-CD2 3.97Å; V22-Y26 HydrophobicContact CG1-CE2 4.04Å; V22-Y26 WeakPolarHBondContact O-CD2 3.47Å; V22-Y26 PolarHBondContact O-N 2.78Å; V22-Y26 VanDerWaalsContact O-N 3.13Å; V22-Y38 HydrophobicContact CG1-CE2 3.99Å; V22-Y38 WeakPolarHBondContact CG1-OH 3.47Å; V22-V116 HydrophobicContact CG1-CG2 3.79Å; V22-V116 HydrophobicContact CG2-CG1 4.02Å; V22-V116 HydrophobicContact CG2-CG2 4.35Å
23	N	96.7	Very high	95.5	Very high	61 Å²	61	79.1 Å²	79.1	33%	0.326	37%	0.373	S	S	.	.	H	α-helix	trans	-60.8	-45.5	176.3	-177.5	19.2	0	0	0	112	Q19 Q21 Y25 Y26 S27 Y38	Q19-N23 WeakPolarHBondContact O-CB 3.34Å; Q19-N23 PolarHBondContact O-N 2.74Å; Q21-N23 PolarHBondContact O-N 2.6Å; N23-Y25 VanDerWaalsContact C-N 3.31Å; N23-Y25 PolarHBondContact O-N 2.8Å; N23-Y26 PolarHBondContact O-N 3.26Å; N23-S27 WeakPolarHBondContact O-CB 3.32Å; N23-S27 PolarHBondContact O-N 3.45Å; N23-Y38 HydrophobicContact CB-CD2 3.79Å; N23-Y38 HydrophobicContact CB-CE2 4.3Å; N23-Y38 HydrophobicContact CB-CG 4.28Å; N23-Y38 WeakPolarHBondContact OD1-CB 3.18Å
24	R	96.6	Very high	95.4	Very high	140 Å²	140	76.8 Å²	76.8	53%	0.528	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-41.2	178.7	-176.6	175.1	70.9	170.7	11.2	112.2	R20 Q21 V22 N28	R20-R24 VanDerWaalsContact O-CB 3.23Å; R20-R24 WeakPolarHBondContact O-CB 3.13Å; R20-R24 PolarHBondContact O-N 2.6Å; Q21-R24 PolarHBondContact O-N 2.98Å; V22-R24 PolarHBondContact O-N 2.52Å; R24-N28 PolarHBondContact O-N 3.04Å; R24-N28 VanDerWaalsContact O-N 3.16Å; R24-N28 PolarHBondContact O-ND2 3.46Å; R24-N28 VanDerWaalsContact O-ND2 3.15Å
25	Y	95.7	Very high	95.4	Very high	85 Å²	85	80.4 Å²	80.4	33%	0.333	38%	0.377	S	S	.	.	H	α-helix	trans	-61.8	-54.8	178.1	170.8	-102	0	0	0	111.3	Q21 V22 N23 S27 N28 K29	Q21-Y25 PolarHBondContact O-N 3.23Å; V22-Y25 PolarHBondContact O-N 2.68Å; N23-Y25 VanDerWaalsContact C-N 3.31Å; N23-Y25 PolarHBondContact O-N 2.8Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 3.37Å; Y25-N28 PolarHBondContact O-N 3.06Å; Y25-K29 HydrophobicContact CE1-CD 4.11Å; Y25-K29 HydrophobicContact CE2-CD 3.82Å; Y25-K29 VanDerWaalsContact CZ-CD 3.47Å; Y25-K29 VanDerWaalsContact O-CB 3.32Å; Y25-K29 WeakPolarHBondContact O-CB 3.45Å; Y25-K29 PolarHBondContact O-N 2.99Å; Y25-K29 VanDerWaalsContact OH-CD 3.3Å; Y25-K29 WeakPolarHBondContact OH-CD 3.23Å; Y25-K29 PolarHBondContact OH-NZ 3.05Å
26	Y	95.4	Very high	95.4	Very high	6 Å²	6	78.1 Å²	78.1	2%	0.024	37%	0.365	C	S	.	.	H	α-helix	trans	-67.3	-35.5	-179.6	-79.2	-62.8	0	0	0	113.3	V22 N23 N28 K29 V30 F31 Y38 L109 A112 K115 V116	V22-Y26 HydrophobicContact CG1-CD2 3.97Å; V22-Y26 HydrophobicContact CG1-CE2 4.04Å; V22-Y26 WeakPolarHBondContact O-CD2 3.47Å; V22-Y26 PolarHBondContact O-N 2.78Å; V22-Y26 VanDerWaalsContact O-N 3.13Å; N23-Y26 PolarHBondContact O-N 3.26Å; Y26-N28 VanDerWaalsContact C-N 3.29Å; Y26-N28 PolarHBondContact O-N 2.83Å; Y26-K29 PolarHBondContact O-N 2.92Å; Y26-V30 HydrophobicContact CD1-CG2 4.46Å; Y26-V30 PolarHBondContact O-N 3.3Å; Y26-F31 VanDerWaalsContact CB-CZ 3.49Å; Y26-F31 HydrophobicContact CG-CE1 4.39Å; Y26-F31 HydrophobicContact CG-CZ 4.27Å; Y26-F31 PolarHBondContact O-N 3.25Å; Y26-Y38 HydrophobicContact CD2-CE2 4.41Å; Y26-L109 HydrophobicContact CD1-CD2 3.94Å; Y26-L109 HydrophobicContact CE1-CD2 4.28Å; Y26-A112 HydrophobicContact CE1-CB 4.02Å; Y26-A112 HydrophobicContact CE2-CB 4.1Å; Y26-A112 VanDerWaalsContact OH-C 3.26Å; Y26-A112 WeakPolarHBondContact OH-CA 3.35Å; Y26-A112 PolarHBondContact OH-O 3.4Å; Y26-K115 VanDerWaalsContact OH-CB 3.28Å; Y26-K115 WeakPolarHBondContact OH-CB 3.49Å; Y26-V116 HydrophobicContact CE2-CG2 3.62Å
27	S	94.7	Very high	95.3	Very high	40 Å²	40	74.6 Å²	74.6	28%	0.28	36%	0.358	S	S	.	.	I	π-helix	trans	-54.7	-48.8	174.4	-178.4	0	0	0	0	111.1	N23 Y25 K32	N23-S27 WeakPolarHBondContact O-CB 3.32Å; N23-S27 PolarHBondContact O-N 3.45Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 3.37Å; S27-K32 WeakPolarHBondContact O-CG 3.44Å; S27-K32 PolarHBondContact O-N 3.41Å; S27-K32 VanDerWaalsContact O-N 3.13Å
28	N	92.9	Very high	95.3	Very high	90 Å²	90	72.9 Å²	72.9	48%	0.481	35%	0.347	S	S	.	.	I	π-helix	trans	-74.5	-39	-178.9	-73.2	-35	0	0	0	113.4	R24 Y25 Y26 K32	R24-N28 PolarHBondContact O-N 3.04Å; R24-N28 VanDerWaalsContact O-N 3.16Å; R24-N28 PolarHBondContact O-ND2 3.46Å; R24-N28 VanDerWaalsContact O-ND2 3.15Å; Y25-N28 PolarHBondContact O-N 3.06Å; Y26-N28 VanDerWaalsContact C-N 3.29Å; Y26-N28 PolarHBondContact O-N 2.83Å; N28-K32 WeakPolarHBondContact OD1-CE 3.39Å; N28-K32 PolarHBondContact OD1-NZ 3.05Å
29	K	91.3	Very high	95.3	Very high	127 Å²	127	72.9 Å²	72.9	55%	0.552	34%	0.342	S	S	*	.	I	π-helix	trans	-81.1	-38.2	-171.5	-169.3	171	-175.8	171.8	0	113.2	Y25 Y26	Y25-K29 HydrophobicContact CE1-CD 4.11Å; Y25-K29 HydrophobicContact CE2-CD 3.82Å; Y25-K29 VanDerWaalsContact CZ-CD 3.47Å; Y25-K29 VanDerWaalsContact O-CB 3.32Å; Y25-K29 WeakPolarHBondContact O-CB 3.45Å; Y25-K29 PolarHBondContact O-N 2.99Å; Y25-K29 VanDerWaalsContact OH-CD 3.3Å; Y25-K29 WeakPolarHBondContact OH-CD 3.23Å; Y25-K29 PolarHBondContact OH-NZ 3.05Å; Y26-K29 PolarHBondContact O-N 2.92Å
30	V	93	Very high	95.3	Very high	9 Å²	9	69.3 Å²	69.3	6%	0.055	33%	0.325	C	S	.	.	I	π-helix	trans	-131.9	-47.5	-169.8	-173.6	0	0	0	0	112.1	Y26 K32 K33 Y34 E108 L109	Y26-V30 HydrophobicContact CD1-CG2 4.46Å; Y26-V30 PolarHBondContact O-N 3.3Å; V30-K32 VanDerWaalsContact C-N 3.3Å; V30-K32 PolarHBondContact O-N 3.18Å; V30-K33 VanDerWaalsContact O-CB 3.31Å; V30-K33 WeakPolarHBondContact O-CB 3.23Å; V30-K33 PolarHBondContact O-N 2.78Å; V30-Y34 HydrophobicContact CG1-CD2 3.96Å; V30-Y34 HydrophobicContact CG1-CE2 4.08Å; V30-E108 HydrophobicContact CG1-CB 4.05Å; V30-L109 HydrophobicContact CB-CD2 3.88Å; V30-L109 HydrophobicContact CG1-CD1 4.04Å; V30-L109 HydrophobicContact CG1-CD2 3.65Å; V30-L109 HydrophobicContact CG1-CG 3.77Å; V30-L109 HydrophobicContact CG2-CD2 4.05Å
31	F	95.4	Very high	95.3	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.009	30%	0.303	C	S	.	.	I	π-helix	trans	-65.7	-33.4	-167	-58	-15.6	0	0	0	113.4	Y26 K33 Y34 N35 L36 Y38 F41 L109	Y26-F31 VanDerWaalsContact CB-CZ 3.49Å; Y26-F31 HydrophobicContact CG-CE1 4.39Å; Y26-F31 HydrophobicContact CG-CZ 4.27Å; Y26-F31 PolarHBondContact O-N 3.25Å; F31-K33 PolarHBondContact O-N 3.37Å; F31-Y34 CarbonylContact O-C 3.53Å; F31-Y34 PolarHBondContact O-N 2.83Å; F31-Y34 VanDerWaalsContact O-N 3.13Å; F31-N35 WeakPolarHBondContact O-CA 3.5Å; F31-N35 PolarHBondContact O-N 3.15Å; F31-L36 HydrophobicContact CB-CB 3.78Å; F31-L36 WeakPolarHBondContact CB-O 3.41Å; F31-L36 HydrophobicContact CD1-CB 4.04Å; F31-L36 HydrophobicContact CD1-CD1 4.38Å; F31-L36 HydrophobicContact CG-CB 3.95Å; F31-L36 PolarHBondContact O-N 2.79Å; F31-Y38 AromaticContact CE2-CD2 3.77Å; F31-Y38 HydrophobicContact CE2-CD2 3.77Å; F31-Y38 HydrophobicContact CE2-CG 4.39Å; F31-Y38 HydrophobicContact CZ-CD2 4Å; F31-F41 HydrophobicContact CE1-CB 3.69Å; F31-F41 HydrophobicContact CE1-CD1 4.39Å; F31-F41 HydrophobicContact CE1-CD2 4.34Å; F31-F41 AromaticContact CE1-CG 3.87Å; F31-F41 HydrophobicContact CE1-CG 3.87Å; F31-F41 HydrophobicContact CE2-CB 4.4Å; F31-F41 HydrophobicContact CZ-CB 3.52Å; F31-F41 AromaticContact CZ-CD1 3.81Å; F31-F41 HydrophobicContact CZ-CD1 3.81Å; F31-F41 AromaticContact CZ-CG 3.68Å; F31-F41 HydrophobicContact CZ-CG 3.68Å; F31-L109 HydrophobicContact CD1-CD1 4.23Å; F31-L109 HydrophobicContact CD1-CD2 4.39Å; F31-L109 HydrophobicContact CE1-CD1 3.94Å; F31-L109 HydrophobicContact CE1-CD2 3.88Å
32	K	94.1	Very high	95.3	Very high	143 Å²	143	62 Å²	62	62%	0.622	30%	0.299	S	S	*	.	H	α-helix	trans	-56.4	-36.8	173.8	-80.4	172.4	179.4	176	0	113.1	S27 N28 V30 Y34	S27-K32 WeakPolarHBondContact O-CG 3.44Å; S27-K32 PolarHBondContact O-N 3.41Å; S27-K32 VanDerWaalsContact O-N 3.13Å; N28-K32 WeakPolarHBondContact OD1-CE 3.39Å; N28-K32 PolarHBondContact OD1-NZ 3.05Å; V30-K32 VanDerWaalsContact C-N 3.3Å; V30-K32 PolarHBondContact O-N 3.18Å; K32-Y34 VanDerWaalsContact C-N 3.28Å; K32-Y34 PolarHBondContact O-N 2.89Å
33	K	94	Very high	95.4	Very high	141 Å²	141	60.5 Å²	60.5	61%	0.613	29%	0.29	S	S	*	.	H	α-helix	trans	-64	-35.5	178.7	-178.4	-179.7	171.6	-174.2	0	112	V30 F31 E108	V30-K33 VanDerWaalsContact O-CB 3.31Å; V30-K33 WeakPolarHBondContact O-CB 3.23Å; V30-K33 PolarHBondContact O-N 2.78Å; F31-K33 PolarHBondContact O-N 3.37Å; K33-E108 IonicContact NZ-OE1 3.4Å; K33-E108 PolarHBondContact NZ-OE1 3.47Å; K33-E108 IonicContact NZ-OE2 3.7Å
34	Y	94.3	Very high	95.4	Very high	44 Å²	44	57.6 Å²	57.6	17%	0.173	27%	0.274	C	S	.	.	H	α-helix	trans	-109	5.5	-174.6	-63.1	-68.1	0	0	0	114.2	V30 F31 K32 L36 I105 E108	V30-Y34 HydrophobicContact CG1-CD2 3.96Å; V30-Y34 HydrophobicContact CG1-CE2 4.08Å; F31-Y34 CarbonylContact O-C 3.53Å; F31-Y34 PolarHBondContact O-N 2.83Å; F31-Y34 VanDerWaalsContact O-N 3.13Å; K32-Y34 VanDerWaalsContact C-N 3.28Å; K32-Y34 PolarHBondContact O-N 2.89Å; Y34-L36 VanDerWaalsContact C-N 3.26Å; Y34-L36 PolarHBondContact O-N 3.06Å; Y34-I105 HydrophobicContact CD1-CD1 3.89Å; Y34-I105 HydrophobicContact CD1-CG1 3.61Å; Y34-I105 HydrophobicContact CD2-CG1 4.38Å; Y34-I105 HydrophobicContact CD2-CG2 3.94Å; Y34-I105 HydrophobicContact CE1-CG1 3.79Å; Y34-I105 HydrophobicContact CE2-CG2 4.13Å; Y34-I105 HydrophobicContact CG-CD1 3.99Å; Y34-I105 HydrophobicContact CG-CG1 3.91Å; Y34-I105 HydrophobicContact CG-CG2 4.2Å; Y34-E108 WeakPolarHBondContact CE2-OE1 3.46Å; Y34-E108 PolarHBondContact OH-OE1 2.83Å
35	N	94.1	Very high	95.4	Very high	129 Å²	129	53.6 Å²	53.6	69%	0.69	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	44.5	-171.9	-166.4	37	0	0	0	113.3	F31	F31-N35 WeakPolarHBondContact O-CA 3.5Å; F31-N35 PolarHBondContact O-N 3.15Å
36	L	96.7	Very high	95.5	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	26%	0.255	C	S	.	.			trans	-93	160.8	180	-70.7	173.5	0	0	0	112.5	F31 Y34 Q40 L44 L81 I105 L109	F31-L36 HydrophobicContact CB-CB 3.78Å; F31-L36 WeakPolarHBondContact CB-O 3.41Å; F31-L36 HydrophobicContact CD1-CB 4.04Å; F31-L36 HydrophobicContact CD1-CD1 4.38Å; F31-L36 HydrophobicContact CG-CB 3.95Å; F31-L36 PolarHBondContact O-N 2.79Å; Y34-L36 VanDerWaalsContact C-N 3.26Å; Y34-L36 PolarHBondContact O-N 3.06Å; L36-Q40 HydrophobicContact CD2-CB 4.12Å; L36-L44 HydrophobicContact CD1-CD1 4.37Å; L36-L44 HydrophobicContact CD2-CD1 4.09Å; L36-L81 HydrophobicContact CD2-CD1 3.4Å; L36-L81 HydrophobicContact CD2-CD2 4.27Å; L36-L81 HydrophobicContact CD2-CG 4.49Å; L36-I105 HydrophobicContact CD1-CD1 4.36Å; L36-I105 HydrophobicContact CD1-CG2 4.06Å; L36-L109 HydrophobicContact CD1-CD1 3.87Å
37	T	96.2	Very high	95.6	Very high	65 Å²	65	50.5 Å²	50.5	40%	0.399	25%	0.254	S	S	.	.			trans	-120.8	162	165.9	60.9	0	0	0	0	109.7	Q40 F41	T37-Q40 PolarHBondContact O-N 2.79Å; T37-Q40 VanDerWaalsContact O-N 3.12Å; T37-Q40 VanDerWaalsContact OG1-CD 3.22Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.49Å; T37-Q40 PolarHBondContact OG1-OE1 3.15Å; T37-F41 PolarHBondContact O-N 3.29Å
38	Y	96.5	Very high	95.7	Very high	34 Å²	34	49.2 Å²	49.2	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-55.6	-45.6	-179.8	-153.6	-92.6	0	0	0	113.5	V22 N23 Y26 F31 Q40 F41 L42	V22-Y38 HydrophobicContact CG1-CE2 3.99Å; V22-Y38 WeakPolarHBondContact CG1-OH 3.47Å; N23-Y38 HydrophobicContact CB-CD2 3.79Å; N23-Y38 HydrophobicContact CB-CE2 4.3Å; N23-Y38 HydrophobicContact CB-CG 4.28Å; N23-Y38 WeakPolarHBondContact OD1-CB 3.18Å; Y26-Y38 HydrophobicContact CD2-CE2 4.41Å; F31-Y38 AromaticContact CE2-CD2 3.77Å; F31-Y38 HydrophobicContact CE2-CD2 3.77Å; F31-Y38 HydrophobicContact CE2-CG 4.39Å; F31-Y38 HydrophobicContact CZ-CD2 4Å; Y38-Q40 VanDerWaalsContact C-N 3.32Å; Y38-Q40 PolarHBondContact O-N 3Å; Y38-F41 HydrophobicContact CD2-CD1 4.38Å; Y38-F41 HydrophobicContact CE2-CD1 4.25Å; Y38-F41 HydrophobicContact CE2-CE1 4.35Å; Y38-F41 WeakPolarHBondContact O-CB 3.46Å; Y38-F41 PolarHBondContact O-N 3.34Å; Y38-L42 HydrophobicContact CD1-CD1 3.93Å; Y38-L42 HydrophobicContact CD1-CG 4.08Å; Y38-L42 HydrophobicContact CE1-CD1 3.95Å; Y38-L42 HydrophobicContact CE1-CD2 4.07Å; Y38-L42 HydrophobicContact CE1-CG 4.05Å; Y38-L42 WeakPolarHBondContact O-CG 3.34Å; Y38-L42 PolarHBondContact O-N 3.02Å
39	P	95.6	Very high	95.9	Very high	57 Å²	57	51.4 Å²	51.4	37%	0.37	26%	0.255	S	S	.	.	H	α-helix	trans	-63.2	-36.9	177.1	-22.9	35.5	0	0	0	113.1	L42 V43 L72	P39-L42 PolarHBondContact O-N 3.12Å; P39-V43 WeakPolarHBondContact O-CG2 3.21Å; P39-V43 PolarHBondContact O-N 2.88Å; P39-L72 HydrophobicContact CB-CD1 4.39Å; P39-L72 HydrophobicContact CB-CD2 4.1Å
40	Q	97.1	Very high	96.2	Very high	17 Å²	17	49.9 Å²	49.9	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-65.9	-40.5	176.2	-66.9	171.2	-35.2	0	0	111.4	L36 T37 Y38 L42 V43 L44 L72 M76	L36-Q40 HydrophobicContact CD2-CB 4.12Å; T37-Q40 PolarHBondContact O-N 2.79Å; T37-Q40 VanDerWaalsContact O-N 3.12Å; T37-Q40 VanDerWaalsContact OG1-CD 3.22Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.49Å; T37-Q40 PolarHBondContact OG1-OE1 3.15Å; Y38-Q40 VanDerWaalsContact C-N 3.32Å; Y38-Q40 PolarHBondContact O-N 3Å; Q40-L42 VanDerWaalsContact C-N 3.32Å; Q40-L42 PolarHBondContact O-N 3.08Å; Q40-V43 PolarHBondContact O-N 3.33Å; Q40-L44 WeakPolarHBondContact O-CG 3.25Å; Q40-L44 PolarHBondContact O-N 3.42Å; Q40-L72 HydrophobicContact CG-CD1 3.56Å; Q40-M76 HydrophobicContact CB-CE 3.99Å; Q40-M76 HydrophobicContact CB-CG 4.26Å; Q40-M76 HydrophobicContact CB-SD 3.96Å; Q40-M76 HydrophobicContact CG-CE 4.39Å; Q40-M76 HydrophobicContact CG-CG 3.63Å; Q40-M76 HydrophobicContact CG-SD 3.78Å; Q40-M76 WeakPolarHBondContact O-CE 3.5Å
41	F	97.3	Very high	96.3	Very high	9 Å²	9	52 Å²	52	4%	0.039	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-43.3	172.4	153.2	-110.3	0	0	0	111.9	F31 T37 Y38 V43 L44 T45 W48 L109 A112	F31-F41 HydrophobicContact CE1-CB 3.69Å; F31-F41 HydrophobicContact CE1-CD1 4.39Å; F31-F41 HydrophobicContact CE1-CD2 4.34Å; F31-F41 AromaticContact CE1-CG 3.87Å; F31-F41 HydrophobicContact CE1-CG 3.87Å; F31-F41 HydrophobicContact CE2-CB 4.4Å; F31-F41 HydrophobicContact CZ-CB 3.52Å; F31-F41 AromaticContact CZ-CD1 3.81Å; F31-F41 HydrophobicContact CZ-CD1 3.81Å; F31-F41 AromaticContact CZ-CG 3.68Å; F31-F41 HydrophobicContact CZ-CG 3.68Å; T37-F41 PolarHBondContact O-N 3.29Å; Y38-F41 HydrophobicContact CD2-CD1 4.38Å; Y38-F41 HydrophobicContact CE2-CD1 4.25Å; Y38-F41 HydrophobicContact CE2-CE1 4.35Å; Y38-F41 WeakPolarHBondContact O-CB 3.46Å; Y38-F41 PolarHBondContact O-N 3.34Å; F41-V43 PolarHBondContact O-N 2.77Å; F41-L44 PolarHBondContact O-N 2.82Å; F41-T45 WeakPolarHBondContact CE2-OG1 3.34Å; F41-T45 PolarHBondContact O-N 3.36Å; F41-T45 PolarHBondContact O-OG1 3.4Å; F41-W48 HydrophobicContact CD2-CZ3 4.4Å; F41-W48 HydrophobicContact CE2-CZ3 4.5Å; F41-L109 HydrophobicContact CD2-CB 4.13Å; F41-L109 HydrophobicContact CD2-CD1 3.88Å; F41-L109 HydrophobicContact CD2-CD2 4.42Å; F41-L109 HydrophobicContact CD2-CG 4.37Å; F41-L109 HydrophobicContact CE2-CB 4.01Å; F41-A112 HydrophobicContact CE2-CB 3.99Å; F41-A112 HydrophobicContact CZ-CB 3.6Å
42	L	97.3	Very high	96.4	Very high	60 Å²	60	54.9 Å²	54.9	31%	0.314	28%	0.284	S	S	.	.	H	α-helix	trans	-63.5	-41.4	177	-68.1	179.7	0	0	0	112	Y38 P39 Q40 L44 T45 I46 L62	Y38-L42 HydrophobicContact CD1-CD1 3.93Å; Y38-L42 HydrophobicContact CD1-CG 4.08Å; Y38-L42 HydrophobicContact CE1-CD1 3.95Å; Y38-L42 HydrophobicContact CE1-CD2 4.07Å; Y38-L42 HydrophobicContact CE1-CG 4.05Å; Y38-L42 WeakPolarHBondContact O-CG 3.34Å; Y38-L42 PolarHBondContact O-N 3.02Å; P39-L42 PolarHBondContact O-N 3.12Å; Q40-L42 VanDerWaalsContact C-N 3.32Å; Q40-L42 PolarHBondContact O-N 3.08Å; L42-L44 VanDerWaalsContact C-N 3.35Å; L42-L44 PolarHBondContact O-N 3.46Å; L42-T45 WeakPolarHBondContact O-CB 3.45Å; L42-T45 PolarHBondContact O-N 3.5Å; L42-I46 WeakPolarHBondContact O-CG1 3.41Å; L42-I46 PolarHBondContact O-N 2.89Å; L42-L62 HydrophobicContact CB-CD2 3.69Å; L42-L62 HydrophobicContact CB-CG 4.41Å; L42-L62 HydrophobicContact CD1-CD2 3.74Å; L42-L62 HydrophobicContact CG-CD2 4.39Å
43	V	97.6	Very high	96.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-44.3	173.1	173.8	0	0	0	0	111.4	P39 Q40 F41 T45 I46 L47 V58 L62 L72 L73 M76	P39-V43 WeakPolarHBondContact O-CG2 3.21Å; P39-V43 PolarHBondContact O-N 2.88Å; Q40-V43 PolarHBondContact O-N 3.33Å; F41-V43 PolarHBondContact O-N 2.77Å; V43-T45 VanDerWaalsContact C-N 3.29Å; V43-T45 PolarHBondContact O-N 3.13Å; V43-I46 PolarHBondContact O-N 3.32Å; V43-L47 HydrophobicContact CG1-CD1 4.07Å; V43-L47 PolarHBondContact O-N 2.9Å; V43-V58 HydrophobicContact CG2-CG1 3.85Å; V43-L62 HydrophobicContact CG2-CD1 4.16Å; V43-L72 HydrophobicContact CG2-CD2 3.93Å; V43-L73 HydrophobicContact CG1-CD2 3.87Å; V43-L73 HydrophobicContact CG2-CD2 4.35Å; V43-M76 HydrophobicContact CB-CE 3.91Å; V43-M76 HydrophobicContact CB-SD 3.9Å; V43-M76 HydrophobicContact CG1-CE 3.8Å; V43-M76 HydrophobicContact CG1-SD 3.85Å; V43-M76 HydrophobicContact CG2-SD 4.19Å
44	L	97.8	Very high	96.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-34.8	176	-67.3	-177.4	0	0	0	112.2	L36 Q40 F41 L42 L47 W48 M76 L81 I82 L98	L36-L44 HydrophobicContact CD1-CD1 4.37Å; L36-L44 HydrophobicContact CD2-CD1 4.09Å; Q40-L44 WeakPolarHBondContact O-CG 3.25Å; Q40-L44 PolarHBondContact O-N 3.42Å; F41-L44 PolarHBondContact O-N 2.82Å; L42-L44 VanDerWaalsContact C-N 3.35Å; L42-L44 PolarHBondContact O-N 3.46Å; L44-L47 HydrophobicContact CD2-CD1 4.39Å; L44-L47 CarbonylContact O-C 3.6Å; L44-L47 PolarHBondContact O-N 3.08Å; L44-W48 HydrophobicContact CB-CD2 4.27Å; L44-W48 HydrophobicContact CB-CE3 4.21Å; L44-W48 HydrophobicContact CB-CH2 3.71Å; L44-W48 HydrophobicContact CB-CZ2 3.79Å; L44-W48 HydrophobicContact CB-CZ3 3.93Å; L44-W48 HydrophobicContact CD1-CH2 4.03Å; L44-W48 HydrophobicContact CD1-CZ2 3.95Å; L44-W48 HydrophobicContact CG-CZ2 4.4Å; L44-W48 WeakPolarHBondContact O-CB 3.36Å; L44-W48 PolarHBondContact O-N 3.07Å; L44-M76 HydrophobicContact CD2-CE 3.83Å; L44-M76 HydrophobicContact CG-CE 3.88Å; L44-L81 HydrophobicContact CD1-CD2 4.34Å; L44-I82 HydrophobicContact CD2-CG2 4.25Å; L44-L98 HydrophobicContact CD2-CD2 4.24Å
45	T	97.1	Very high	96.8	Very high	56 Å²	56	41.7 Å²	41.7	34%	0.344	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-43.3	176.3	-55	0	0	0	0	111.4	F41 L42 V43 L47 W48 D49	F41-T45 WeakPolarHBondContact CE2-OG1 3.34Å; F41-T45 PolarHBondContact O-N 3.36Å; F41-T45 PolarHBondContact O-OG1 3.4Å; L42-T45 WeakPolarHBondContact O-CB 3.45Å; L42-T45 PolarHBondContact O-N 3.5Å; V43-T45 VanDerWaalsContact C-N 3.29Å; V43-T45 PolarHBondContact O-N 3.13Å; T45-L47 VanDerWaalsContact C-N 3.3Å; T45-L47 PolarHBondContact O-N 3.34Å; T45-W48 PolarHBondContact O-N 3.44Å; T45-D49 PolarHBondContact O-N 3.17Å
46	I	97.2	Very high	96.9	Very high	24 Å²	24	41.5 Å²	41.5	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-44.5	173	-64.6	165.9	0	0	0	110.3	L42 V43 D49 E50 V53 K57 E61 L62	L42-I46 WeakPolarHBondContact O-CG1 3.41Å; L42-I46 PolarHBondContact O-N 2.89Å; V43-I46 PolarHBondContact O-N 3.32Å; I46-D49 PolarHBondContact O-N 3.47Å; I46-E50 PolarHBondContact O-N 3.09Å; I46-V53 HydrophobicContact CG2-CG1 4.39Å; I46-V53 HydrophobicContact CG2-CG2 4.25Å; I46-K57 HydrophobicContact CG2-CG 4.45Å; I46-E61 HydrophobicContact CD1-CB 3.69Å; I46-E61 HydrophobicContact CD1-CG 4.28Å; I46-E61 HydrophobicContact CG1-CB 4.37Å; I46-L62 HydrophobicContact CD1-CD1 3.49Å; I46-L62 VanDerWaalsContact CD1-CD1 3.49Å; I46-L62 HydrophobicContact CD1-CG 4.46Å
47	L	98	Very high	96.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-69.2	-33.7	-178.7	-79.5	167.7	0	0	0	113.8	V43 L44 T45 D49 E50 S51 V53 I82 I96 L98	V43-L47 HydrophobicContact CG1-CD1 4.07Å; V43-L47 PolarHBondContact O-N 2.9Å; L44-L47 HydrophobicContact CD2-CD1 4.39Å; L44-L47 CarbonylContact O-C 3.6Å; L44-L47 PolarHBondContact O-N 3.08Å; T45-L47 VanDerWaalsContact C-N 3.3Å; T45-L47 PolarHBondContact O-N 3.34Å; L47-D49 VanDerWaalsContact C-N 3.28Å; L47-E50 CarbonylContact C-O 3.4Å; L47-E50 VanDerWaalsContact CA-O 3.23Å; L47-E50 WeakPolarHBondContact CA-O 3.32Å; L47-E50 CarbonylContact O-C 3.6Å; L47-E50 PolarHBondContact O-N 3.03Å; L47-S51 WeakPolarHBondContact O-CB 3.41Å; L47-V53 HydrophobicContact CD2-CG2 3.71Å; L47-V53 HydrophobicContact CG-CG2 4.33Å; L47-I82 HydrophobicContact CD1-CG2 3.53Å; L47-I96 HydrophobicContact CD1-CG2 3.89Å; L47-I96 HydrophobicContact CD2-CB 4.27Å; L47-I96 HydrophobicContact CD2-CG2 4.21Å; L47-I96 WeakPolarHBondContact CD2-O 3.41Å; L47-L98 HydrophobicContact CB-CD1 4.26Å; L47-L98 HydrophobicContact CB-CD2 3.68Å; L47-L98 HydrophobicContact CB-CG 3.83Å; L47-L98 HydrophobicContact CD1-CD2 4.32Å; L47-L98 VanDerWaalsContact O-CD1 3.29Å; L47-L98 WeakPolarHBondContact O-CD1 3.41Å
48	W	97.1	Very high	96.9	Very high	13 Å²	13	40.8 Å²	40.8	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-70.4	-27.8	176.3	-70.9	-35.8	0	0	0	112.7	F41 L44 T45 S102 E103 I105 R106 L109	F41-W48 HydrophobicContact CD2-CZ3 4.4Å; F41-W48 HydrophobicContact CE2-CZ3 4.5Å; L44-W48 HydrophobicContact CB-CD2 4.27Å; L44-W48 HydrophobicContact CB-CE3 4.21Å; L44-W48 HydrophobicContact CB-CH2 3.71Å; L44-W48 HydrophobicContact CB-CZ2 3.79Å; L44-W48 HydrophobicContact CB-CZ3 3.93Å; L44-W48 HydrophobicContact CD1-CH2 4.03Å; L44-W48 HydrophobicContact CD1-CZ2 3.95Å; L44-W48 HydrophobicContact CG-CZ2 4.4Å; L44-W48 WeakPolarHBondContact O-CB 3.36Å; L44-W48 PolarHBondContact O-N 3.07Å; T45-W48 PolarHBondContact O-N 3.44Å; W48-S102 WeakPolarHBondContact CZ2-O 3.13Å; W48-S102 PolarHBondContact NE1-O 3.02Å; W48-E103 PolarHBondContact NE1-OE2 3.06Å; W48-I105 HydrophobicContact CH2-CB 4.45Å; W48-I105 HydrophobicContact CH2-CG2 4.09Å; W48-I105 HydrophobicContact CZ2-CB 4.07Å; W48-I105 HydrophobicContact CZ2-CG2 4.22Å; W48-R106 HydrophobicContact CB-CG 4.38Å; W48-R106 HydrophobicContact CD2-CB 4.08Å; W48-R106 HydrophobicContact CD2-CG 3.84Å; W48-R106 HydrophobicContact CE3-CG 4.49Å; W48-R106 HydrophobicContact CG-CB 4.27Å; W48-R106 HydrophobicContact CG-CG 3.75Å; W48-R106 HydrophobicContact CZ2-CB 4.04Å; W48-R106 VanDerWaalsContact O-CZ 3.26Å; W48-R106 PolarHBondContact O-NH1 3.5Å; W48-R106 PolarHBondContact O-NH2 3.44Å; W48-L109 HydrophobicContact CH2-CB 3.88Å; W48-L109 HydrophobicContact CH2-CD1 4.18Å; W48-L109 HydrophobicContact CZ3-CB 3.76Å
49	D	96.1	Very high	96.9	Very high	137 Å²	137	40.7 Å²	40.7	73%	0.733	22%	0.218	S	C	*	.	H	α-helix	trans	-74.8	-45.2	172.1	-171.1	62.3	0	0	0	111	T45 I46 L47	T45-D49 PolarHBondContact O-N 3.17Å; I46-D49 PolarHBondContact O-N 3.47Å; L47-D49 VanDerWaalsContact C-N 3.28Å
50	E	97.2	Very high	96.9	Very high	95 Å²	95	42.8 Å²	42.8	44%	0.444	23%	0.23	S	C	.	.	S	Bend	trans	-142.9	128.3	179.5	-173.8	-177.2	176.1	0	0	110.8	I46 L47 V53 K57	I46-E50 PolarHBondContact O-N 3.09Å; L47-E50 CarbonylContact C-O 3.4Å; L47-E50 VanDerWaalsContact CA-O 3.23Å; L47-E50 WeakPolarHBondContact CA-O 3.32Å; L47-E50 CarbonylContact O-C 3.6Å; L47-E50 PolarHBondContact O-N 3.03Å; E50-V53 HydrophobicContact CB-CG1 3.83Å; E50-V53 HydrophobicContact CG-CG1 3.85Å; E50-V53 WeakPolarHBondContact O-CG1 3.39Å; E50-K57 IonicContact OE2-NZ 3.63Å; E50-K57 PolarHBondContact OE2-NZ 2.97Å
51	S	96	Very high	96.8	Very high	54 Å²	54	48 Å²	48	38%	0.378	25%	0.254	S	S	.	.	S	Bend	trans	-142.3	133.3	171.2	-156.8	0	0	0	0	110.8	L47 L98	L47-S51 WeakPolarHBondContact O-CB 3.41Å; S51-L98 PolarHBondContact OG-N 3.33Å
52	P	97.4	Very high	96.7	Very high	61 Å²	61	49.1 Å²	49.1	40%	0.396	26%	0.26	S	S	.	.	S	Bend	cis	-75.6	161.6	-2.6	31.4	-34.7	0	0	0	114	F95 I96 H97	P52-F95 HydrophobicContact CB-CB 4.44Å; P52-I96 VanDerWaalsContact CA-O 3.23Å; P52-I96 WeakPolarHBondContact CA-O 3.5Å; P52-I96 WeakPolarHBondContact CB-O 3.33Å; P52-H97 VanDerWaalsContact CB-CE1 3.47Å; P52-H97 WeakPolarHBondContact CB-CE1 3.46Å
53	V	97.6	Very high	96.5	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.9	170.1	-64.8	0	0	0	0	112	I46 L47 E50 K57 V58 F95 I96	I46-V53 HydrophobicContact CG2-CG1 4.39Å; I46-V53 HydrophobicContact CG2-CG2 4.25Å; L47-V53 HydrophobicContact CD2-CG2 3.71Å; L47-V53 HydrophobicContact CG-CG2 4.33Å; E50-V53 HydrophobicContact CB-CG1 3.83Å; E50-V53 HydrophobicContact CG-CG1 3.85Å; E50-V53 WeakPolarHBondContact O-CG1 3.39Å; V53-K57 HydrophobicContact CB-CD 4.38Å; V53-K57 HydrophobicContact CG1-CD 4.08Å; V53-V58 HydrophobicContact CG2-CG2 4.25Å; V53-F95 CarbonylContact O-C 3.49Å; V53-F95 VanDerWaalsContact O-CA 3.32Å; V53-F95 WeakPolarHBondContact O-CA 3.44Å; V53-I96 PolarHBondContact N-O 3.03Å; V53-I96 PolarHBondContact O-N 3.45Å
54	N	96.9	Very high	96.2	Very high	27 Å²	27	52.9 Å²	52.9	14%	0.144	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	141.4	171.4	-168.9	-63	0	0	0	110.3	K56 K57 E93 V94 F95	N54-K56 PolarHBondContact O-N 2.84Å; N54-K56 VanDerWaalsContact O-N 3.08Å; N54-K56 WeakPolarHBondContact OD1-CB 3.31Å; N54-K56 VanDerWaalsContact OD1-CG 3.3Å; N54-K56 WeakPolarHBondContact OD1-CG 3.46Å; N54-K56 PolarHBondContact OD1-N 2.86Å; N54-K57 WeakPolarHBondContact O-CB 3.37Å; N54-K57 PolarHBondContact O-N 3.5Å; N54-E93 PolarHBondContact ND2-OE1 2.93Å; N54-E93 PolarHBondContact ND2-OE2 3.29Å; N54-V94 WeakPolarHBondContact CA-O 3.26Å; N54-F95 HydrophobicContact CB-CD1 4.07Å; N54-F95 HydrophobicContact CB-CE1 3.82Å
55	V	96.6	Very high	95.8	Very high	22 Å²	22	58.9 Å²	58.9	13%	0.133	33%	0.325	C	S	.	.	H	α-helix	trans	-52.5	-32.5	175.8	171.6	0	0	0	0	112.2	K57 V58 V59 V69 L73 V94 I96	V55-K57 VanDerWaalsContact C-N 3.26Å; V55-K57 PolarHBondContact O-N 3.29Å; V55-V58 WeakPolarHBondContact O-CB 3.32Å; V55-V58 PolarHBondContact O-N 3.27Å; V55-V58 VanDerWaalsContact O-N 3.09Å; V55-V59 HydrophobicContact CG1-CG2 4.36Å; V55-V59 PolarHBondContact O-N 3.17Å; V55-V69 HydrophobicContact CG1-CG1 4.03Å; V55-L73 HydrophobicContact CG1-CD1 4.09Å; V55-L73 HydrophobicContact CG2-CD1 3.77Å; V55-V94 HydrophobicContact CG2-CB 3.71Å; V55-V94 HydrophobicContact CG2-CG1 3.74Å; V55-V94 WeakPolarHBondContact CG2-O 3.15Å; V55-V94 PolarHBondContact N-O 3.16Å; V55-I96 HydrophobicContact CG2-CD1 3.88Å; V55-I96 HydrophobicContact CG2-CG1 3.84Å
56	K	95.3	Very high	95.3	Very high	124 Å²	124	60.6 Å²	60.6	54%	0.539	34%	0.336	S	S	.	.	H	α-helix	trans	-57.1	-37.5	175.2	-68.1	170.4	-174.2	164.3	0	112.3	N54 V58 V59 T60 E93	N54-K56 PolarHBondContact O-N 2.84Å; N54-K56 VanDerWaalsContact O-N 3.08Å; N54-K56 WeakPolarHBondContact OD1-CB 3.31Å; N54-K56 VanDerWaalsContact OD1-CG 3.3Å; N54-K56 WeakPolarHBondContact OD1-CG 3.46Å; N54-K56 PolarHBondContact OD1-N 2.86Å; K56-V58 VanDerWaalsContact C-N 3.34Å; K56-V58 PolarHBondContact O-N 3.24Å; K56-V59 WeakPolarHBondContact O-CB 3.46Å; K56-V59 PolarHBondContact O-N 2.96Å; K56-T60 PolarHBondContact O-N 3.11Å; K56-T60 PolarHBondContact O-OG1 3.16Å; K56-T60 VanDerWaalsContact O-OG1 3.08Å; K56-E93 IonicContact NZ-OE1 2.82Å; K56-E93 PolarHBondContact NZ-OE1 3.37Å
57	K	96.4	Very high	95	Very high	63 Å²	63	62.4 Å²	62.4	27%	0.274	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-42.6	176	-176.6	166.3	176.6	169.4	0	110.9	I46 E50 V53 N54 V55 V59 T60 E61	I46-K57 HydrophobicContact CG2-CG 4.45Å; E50-K57 IonicContact OE2-NZ 3.63Å; E50-K57 PolarHBondContact OE2-NZ 2.97Å; V53-K57 HydrophobicContact CB-CD 4.38Å; V53-K57 HydrophobicContact CG1-CD 4.08Å; N54-K57 WeakPolarHBondContact O-CB 3.37Å; N54-K57 PolarHBondContact O-N 3.5Å; V55-K57 VanDerWaalsContact C-N 3.26Å; V55-K57 PolarHBondContact O-N 3.29Å; K57-V59 PolarHBondContact O-N 3.03Å; K57-T60 PolarHBondContact O-N 3.47Å; K57-E61 HydrophobicContact CG-CG 4.02Å; K57-E61 WeakPolarHBondContact O-CB 3.43Å; K57-E61 VanDerWaalsContact O-CG 3.31Å; K57-E61 WeakPolarHBondContact O-CG 3.46Å; K57-E61 PolarHBondContact O-N 3.18Å
58	V	97.2	Very high	94.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-62.8	-43.7	176.3	-179.7	0	0	0	0	111.8	V43 V53 V55 K56 T60 L62 V69 I96	V43-V58 HydrophobicContact CG2-CG1 3.85Å; V53-V58 HydrophobicContact CG2-CG2 4.25Å; V55-V58 WeakPolarHBondContact O-CB 3.32Å; V55-V58 PolarHBondContact O-N 3.27Å; V55-V58 VanDerWaalsContact O-N 3.09Å; K56-V58 VanDerWaalsContact C-N 3.34Å; K56-V58 PolarHBondContact O-N 3.24Å; V58-T60 VanDerWaalsContact C-N 3.33Å; V58-T60 PolarHBondContact O-N 2.84Å; V58-L62 HydrophobicContact CB-CD1 4.47Å; V58-L62 HydrophobicContact CG1-CD1 3.51Å; V58-L62 WeakPolarHBondContact O-CB 3.43Å; V58-L62 VanDerWaalsContact O-CD1 3.25Å; V58-L62 WeakPolarHBondContact O-CD1 3.48Å; V58-L62 PolarHBondContact O-N 3.48Å; V58-V69 HydrophobicContact CB-CG1 4.41Å; V58-V69 HydrophobicContact CG1-CG1 3.91Å; V58-I96 HydrophobicContact CG2-CD1 3.79Å
59	V	96.2	Very high	94.6	Very high	31 Å²	31	65.2 Å²	65.2	19%	0.188	38%	0.379	C	S	.	.	H	α-helix	trans	-56.5	-48.3	174.6	163.8	0	0	0	0	110.6	V55 K56 K57 A63 L64 V69	V55-V59 HydrophobicContact CG1-CG2 4.36Å; V55-V59 PolarHBondContact O-N 3.17Å; K56-V59 WeakPolarHBondContact O-CB 3.46Å; K56-V59 PolarHBondContact O-N 2.96Å; K57-V59 PolarHBondContact O-N 3.03Å; V59-A63 PolarHBondContact O-N 3.02Å; V59-L64 WeakPolarHBondContact CG1-O 3.3Å; V59-L64 PolarHBondContact O-N 2.91Å; V59-L64 VanDerWaalsContact O-N 3.08Å; V59-V69 HydrophobicContact CG2-CB 4.08Å; V59-V69 HydrophobicContact CG2-CG1 4.31Å; V59-V69 HydrophobicContact CG2-CG2 3.79Å
60	T	94.9	Very high	94.5	Very high	102 Å²	102	61.5 Å²	61.5	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-66.5	-54.7	-179.1	-60.6	0	0	0	0	112.5	K56 K57 V58 L62 A63	K56-T60 PolarHBondContact O-N 3.11Å; K56-T60 PolarHBondContact O-OG1 3.16Å; K56-T60 VanDerWaalsContact O-OG1 3.08Å; K57-T60 PolarHBondContact O-N 3.47Å; V58-T60 VanDerWaalsContact C-N 3.33Å; V58-T60 PolarHBondContact O-N 2.84Å; T60-L62 VanDerWaalsContact C-N 3.29Å; T60-L62 PolarHBondContact O-N 3.23Å; T60-A63 PolarHBondContact O-N 2.97Å; T60-A63 VanDerWaalsContact O-N 3.16Å
61	E	95.8	Very high	94.5	Very high	126 Å²	126	60.1 Å²	60.1	59%	0.589	36%	0.363	S	S	*	.	H	α-helix	trans	-65.6	-29.7	-174	-66.7	-58.5	148.5	0	0	113.3	I46 K57	I46-E61 HydrophobicContact CD1-CB 3.69Å; I46-E61 HydrophobicContact CD1-CG 4.28Å; I46-E61 HydrophobicContact CG1-CB 4.37Å; K57-E61 HydrophobicContact CG-CG 4.02Å; K57-E61 WeakPolarHBondContact O-CB 3.43Å; K57-E61 VanDerWaalsContact O-CG 3.31Å; K57-E61 WeakPolarHBondContact O-CG 3.46Å; K57-E61 PolarHBondContact O-N 3.18Å
62	L	95	Very high	94.5	Very high	33 Å²	33	58 Å²	58	17%	0.173	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.6	177.2	-75.1	114.9	0	0	0	114.2	L42 V43 I46 V58 T60 L64	L42-L62 HydrophobicContact CB-CD2 3.69Å; L42-L62 HydrophobicContact CB-CG 4.41Å; L42-L62 HydrophobicContact CD1-CD2 3.74Å; L42-L62 HydrophobicContact CG-CD2 4.39Å; V43-L62 HydrophobicContact CG2-CD1 4.16Å; I46-L62 HydrophobicContact CD1-CD1 3.49Å; I46-L62 VanDerWaalsContact CD1-CD1 3.49Å; I46-L62 HydrophobicContact CD1-CG 4.46Å; V58-L62 HydrophobicContact CB-CD1 4.47Å; V58-L62 HydrophobicContact CG1-CD1 3.51Å; V58-L62 WeakPolarHBondContact O-CB 3.43Å; V58-L62 VanDerWaalsContact O-CD1 3.25Å; V58-L62 WeakPolarHBondContact O-CD1 3.48Å; V58-L62 PolarHBondContact O-N 3.48Å; T60-L62 VanDerWaalsContact C-N 3.29Å; T60-L62 PolarHBondContact O-N 3.23Å; L62-L64 HydrophobicContact CB-CB 4.41Å; L62-L64 HydrophobicContact CB-CD1 3.8Å; L62-L64 HydrophobicContact CB-CG 3.8Å; L62-L64 HydrophobicContact CD2-CD1 4.1Å; L62-L64 PolarHBondContact O-N 2.96Å
63	A	92.3	Very high	94.6	Very high	90 Å²	90	55.2 Å²	55.2	74%	0.744	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	46.7	-171.7	0	0	0	0	0	112.3	V59 T60	V59-A63 PolarHBondContact O-N 3.02Å; T60-A63 PolarHBondContact O-N 2.97Å; T60-A63 VanDerWaalsContact O-N 3.16Å
64	L	91.7	Very high	94.5	Very high	49 Å²	49	60.4 Å²	60.4	26%	0.257	35%	0.351	S	S	.	.			trans	-117.2	141.3	-178.8	-68.6	178.2	0	0	0	111	V59 L62 T68 V69	V59-L64 WeakPolarHBondContact CG1-O 3.3Å; V59-L64 PolarHBondContact O-N 2.91Å; V59-L64 VanDerWaalsContact O-N 3.08Å; L62-L64 HydrophobicContact CB-CB 4.41Å; L62-L64 HydrophobicContact CB-CD1 3.8Å; L62-L64 HydrophobicContact CB-CG 3.8Å; L62-L64 HydrophobicContact CD2-CD1 4.1Å; L62-L64 PolarHBondContact O-N 2.96Å; L64-T68 HydrophobicContact CD1-CG2 4.39Å; L64-T68 HydrophobicContact CD2-CG2 4.12Å; L64-V69 HydrophobicContact CB-CG2 3.6Å; L64-V69 HydrophobicContact CD1-CG2 4.14Å
65	D	89.1	Confident	94.6	Very high	125 Å²	125	66 Å²	66	67%	0.668	37%	0.37	S	S	*	.			trans	-66.6	152.9	172.4	-55.6	-58.4	0	0	0	112.5	G67 T68 V69	D65-G67 PolarHBondContact O-N 3.44Å; D65-G67 VanDerWaalsContact O-N 3.14Å; D65-T68 WeakPolarHBondContact O-CA 3.16Å; D65-T68 WeakPolarHBondContact O-CB 3.36Å; D65-T68 PolarHBondContact O-N 3.44Å; D65-V69 PolarHBondContact O-N 2.92Å
66	T	86.4	Confident	94.6	Very high	93 Å²	93	64.9 Å²	64.9	57%	0.571	36%	0.364	S	S	*	.	H	α-helix	trans	-55.2	-35.4	175.7	-57.2	0	0	0	0	112.2	T68 V69 S70	T66-T68 PolarHBondContact O-N 3.3Å; T66-V69 PolarHBondContact O-N 3.21Å; T66-S70 WeakPolarHBondContact O-CB 3.13Å; T66-S70 PolarHBondContact O-N 2.92Å
67	G	91.1	Very high	94.8	Very high	61 Å²	61	61.9 Å²	61.9	63%	0.629	35%	0.352	S	S	*	.	H	α-helix	trans	-63.2	-25.3	176	0	0	0	0	0	114.1	D65 P71	D65-G67 PolarHBondContact O-N 3.44Å; D65-G67 VanDerWaalsContact O-N 3.14Å; G67-P71 WeakPolarHBondContact O-CD 3.35Å; G67-P71 WeakPolarHBondContact O-CG 3.42Å
68	T	92.6	Very high	94.8	Very high	73 Å²	73	65.4 Å²	65.4	45%	0.448	37%	0.369	S	S	.	.	H	α-helix	trans	-90.1	-39.8	177.4	-55.4	0	0	0	0	111.5	L64 D65 T66	L64-T68 HydrophobicContact CD1-CG2 4.39Å; L64-T68 HydrophobicContact CD2-CG2 4.12Å; D65-T68 WeakPolarHBondContact O-CA 3.16Å; D65-T68 WeakPolarHBondContact O-CB 3.36Å; D65-T68 PolarHBondContact O-N 3.44Å; T66-T68 PolarHBondContact O-N 3.3Å
69	V	95.3	Very high	94.8	Very high	0 Å²	0	68 Å²	68	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-70	-41.7	-178.6	175.7	0	0	0	0	111.6	V55 V58 V59 L64 D65 T66 L72 L73	V55-V69 HydrophobicContact CG1-CG1 4.03Å; V58-V69 HydrophobicContact CB-CG1 4.41Å; V58-V69 HydrophobicContact CG1-CG1 3.91Å; V59-V69 HydrophobicContact CG2-CB 4.08Å; V59-V69 HydrophobicContact CG2-CG1 4.31Å; V59-V69 HydrophobicContact CG2-CG2 3.79Å; L64-V69 HydrophobicContact CB-CG2 3.6Å; L64-V69 HydrophobicContact CD1-CG2 4.14Å; D65-V69 PolarHBondContact O-N 2.92Å; T66-V69 PolarHBondContact O-N 3.21Å; V69-L72 WeakPolarHBondContact O-CB 3.13Å; V69-L72 PolarHBondContact O-N 3.13Å; V69-L72 VanDerWaalsContact O-N 3.11Å; V69-L73 HydrophobicContact CG1-CD1 3.54Å; V69-L73 HydrophobicContact CG1-CD2 4.49Å; V69-L73 HydrophobicContact CG1-CG 3.78Å; V69-L73 WeakPolarHBondContact O-CG 3.43Å; V69-L73 PolarHBondContact O-N 3.3Å
70	S	94	Very high	94.9	Very high	60 Å²	60	70.9 Å²	70.9	42%	0.42	40%	0.399	S	S	.	.	H	α-helix	trans	-59.1	-48.3	-176.2	177.6	0	0	0	0	113.7	T66 L72 L73 K74	T66-S70 WeakPolarHBondContact O-CB 3.13Å; T66-S70 PolarHBondContact O-N 2.92Å; S70-L72 VanDerWaalsContact C-N 3.34Å; S70-L72 PolarHBondContact O-N 3Å; S70-L73 PolarHBondContact O-N 2.87Å; S70-K74 WeakPolarHBondContact O-CB 3.42Å; S70-K74 PolarHBondContact O-N 3.28Å
71	P	96.3	Very high	95.1	Very high	65 Å²	65	66.1 Å²	66.1	42%	0.422	37%	0.37	S	S	.	.	H	α-helix	trans	-65.5	-31.5	173.5	-22.1	33.6	0	0	0	114.2	G67 R75	G67-P71 WeakPolarHBondContact O-CD 3.35Å; G67-P71 WeakPolarHBondContact O-CG 3.42Å; P71-R75 WeakPolarHBondContact O-CG 3.49Å; P71-R75 PolarHBondContact O-N 2.98Å; P71-R75 PolarHBondContact O-NE 2.9Å
72	L	97.2	Very high	95.2	Very high	9 Å²	9	60.2 Å²	60.2	5%	0.047	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-52.9	174.3	170.8	64	0	0	0	110.5	P39 Q40 V43 V69 S70 K74 R75 M76	P39-L72 HydrophobicContact CB-CD1 4.39Å; P39-L72 HydrophobicContact CB-CD2 4.1Å; Q40-L72 HydrophobicContact CG-CD1 3.56Å; V43-L72 HydrophobicContact CG2-CD2 3.93Å; V69-L72 WeakPolarHBondContact O-CB 3.13Å; V69-L72 PolarHBondContact O-N 3.13Å; V69-L72 VanDerWaalsContact O-N 3.11Å; S70-L72 VanDerWaalsContact C-N 3.34Å; S70-L72 PolarHBondContact O-N 3Å; L72-K74 PolarHBondContact O-N 3.08Å; L72-R75 WeakPolarHBondContact O-CB 3.37Å; L72-R75 PolarHBondContact O-N 3.48Å; L72-R75 VanDerWaalsContact O-N 3.16Å; L72-M76 HydrophobicContact CD1-SD 4.33Å; L72-M76 HydrophobicContact CG-SD 4.32Å; L72-M76 WeakPolarHBondContact O-CG 3.48Å; L72-M76 PolarHBondContact O-N 3.33Å
73	L	97.8	Very high	95.4	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-65.3	-39.6	-179.1	-61.5	-179.6	0	0	0	111.9	V43 V55 V69 S70 R75 M76 E77 I82 I96	V43-L73 HydrophobicContact CG1-CD2 3.87Å; V43-L73 HydrophobicContact CG2-CD2 4.35Å; V55-L73 HydrophobicContact CG1-CD1 4.09Å; V55-L73 HydrophobicContact CG2-CD1 3.77Å; V69-L73 HydrophobicContact CG1-CD1 3.54Å; V69-L73 HydrophobicContact CG1-CD2 4.49Å; V69-L73 HydrophobicContact CG1-CG 3.78Å; V69-L73 WeakPolarHBondContact O-CG 3.43Å; V69-L73 PolarHBondContact O-N 3.3Å; S70-L73 PolarHBondContact O-N 2.87Å; L73-R75 VanDerWaalsContact C-N 3.27Å; L73-R75 PolarHBondContact O-N 3.49Å; L73-M76 HydrophobicContact CD2-SD 4.33Å; L73-M76 PolarHBondContact O-N 3.49Å; L73-M76 VanDerWaalsContact O-N 3.12Å; L73-E77 WeakPolarHBondContact O-CB 3.39Å; L73-E77 PolarHBondContact O-N 2.74Å; L73-I82 HydrophobicContact CB-CD1 3.92Å; L73-I82 HydrophobicContact CD2-CD1 3.76Å; L73-I82 HydrophobicContact CG-CD1 4.4Å; L73-I82 WeakPolarHBondContact O-CD1 3.37Å; L73-I96 HydrophobicContact CD1-CD1 3.38Å; L73-I96 HydrophobicContact CD1-CG1 4.14Å; L73-I96 HydrophobicContact CD2-CD1 3.75Å; L73-I96 HydrophobicContact CG-CD1 4.18Å
74	K	97.2	Very high	95.6	Very high	113 Å²	113	64 Å²	64	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-56.4	-42.9	173.4	-176	177.3	179.8	179.2	0	111.6	S70 L72 E77 Q78	S70-K74 WeakPolarHBondContact O-CB 3.42Å; S70-K74 PolarHBondContact O-N 3.28Å; L72-K74 PolarHBondContact O-N 3.08Å; K74-E77 PolarHBondContact O-N 3.26Å; K74-Q78 VanDerWaalsContact O-CG 3.26Å; K74-Q78 WeakPolarHBondContact O-CG 3.47Å; K74-Q78 PolarHBondContact O-N 3.39Å; K74-Q78 VanDerWaalsContact O-N 3.08Å
75	R	97.2	Very high	95.8	Very high	143 Å²	143	65.9 Å²	65.9	54%	0.54	35%	0.346	S	S	.	.	H	α-helix	trans	-66.7	-38.9	176.4	-76	-177.4	-71	174.7	-2.1	112.3	P71 L72 L73 Q78 V79	P71-R75 WeakPolarHBondContact O-CG 3.49Å; P71-R75 PolarHBondContact O-N 2.98Å; P71-R75 PolarHBondContact O-NE 2.9Å; L72-R75 WeakPolarHBondContact O-CB 3.37Å; L72-R75 PolarHBondContact O-N 3.48Å; L72-R75 VanDerWaalsContact O-N 3.16Å; L73-R75 VanDerWaalsContact C-N 3.27Å; L73-R75 PolarHBondContact O-N 3.49Å; R75-Q78 PolarHBondContact O-N 3.32Å; R75-V79 WeakPolarHBondContact O-CG2 3.32Å; R75-V79 PolarHBondContact O-N 3.17Å
76	M	98.4	Very high	96.1	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65.6	-40.5	176.7	-68.9	179.8	74.1	0	0	112.2	Q40 V43 L44 L72 L73 V79 D80 L81 I82	Q40-M76 HydrophobicContact CB-CE 3.99Å; Q40-M76 HydrophobicContact CB-CG 4.26Å; Q40-M76 HydrophobicContact CB-SD 3.96Å; Q40-M76 HydrophobicContact CG-CE 4.39Å; Q40-M76 HydrophobicContact CG-CG 3.63Å; Q40-M76 HydrophobicContact CG-SD 3.78Å; Q40-M76 WeakPolarHBondContact O-CE 3.5Å; V43-M76 HydrophobicContact CB-CE 3.91Å; V43-M76 HydrophobicContact CB-SD 3.9Å; V43-M76 HydrophobicContact CG1-CE 3.8Å; V43-M76 HydrophobicContact CG1-SD 3.85Å; V43-M76 HydrophobicContact CG2-SD 4.19Å; L44-M76 HydrophobicContact CD2-CE 3.83Å; L44-M76 HydrophobicContact CG-CE 3.88Å; L72-M76 HydrophobicContact CD1-SD 4.33Å; L72-M76 HydrophobicContact CG-SD 4.32Å; L72-M76 WeakPolarHBondContact O-CG 3.48Å; L72-M76 PolarHBondContact O-N 3.33Å; L73-M76 HydrophobicContact CD2-SD 4.33Å; L73-M76 PolarHBondContact O-N 3.49Å; L73-M76 VanDerWaalsContact O-N 3.12Å; M76-V79 WeakPolarHBondContact O-CG2 3.22Å; M76-V79 PolarHBondContact O-N 3.42Å; M76-D80 PolarHBondContact O-N 2.89Å; M76-L81 HydrophobicContact CB-CB 4.3Å; M76-L81 HydrophobicContact CE-CB 4.36Å; M76-L81 PolarHBondContact O-N 3.08Å; M76-I82 HydrophobicContact CB-CD1 3.69Å; M76-I82 HydrophobicContact CB-CG1 3.74Å; M76-I82 HydrophobicContact CB-CG2 4.5Å; M76-I82 HydrophobicContact CE-CG2 3.98Å
77	E	98.3	Very high	96.6	Very high	61 Å²	61	64.6 Å²	64.6	29%	0.285	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-42	175.6	179.5	171.4	-118.2	0	0	111.7	L73 K74 V79 D80 I82 R84	L73-E77 WeakPolarHBondContact O-CB 3.39Å; L73-E77 PolarHBondContact O-N 2.74Å; K74-E77 PolarHBondContact O-N 3.26Å; E77-V79 PolarHBondContact O-N 2.97Å; E77-D80 PolarHBondContact O-N 3.14Å; E77-I82 WeakPolarHBondContact CA-O 3.36Å; E77-I82 HydrophobicContact CB-CG1 4.11Å; E77-R84 VanDerWaalsContact OE1-CB 3.32Å; E77-R84 WeakPolarHBondContact OE1-CB 3.4Å; E77-R84 PolarHBondContact OE1-N 3.03Å; E77-R84 IonicContact OE1-NE 3.91Å; E77-R84 IonicContact OE2-CZ 3.65Å; E77-R84 IonicContact OE2-NE 3.93Å; E77-R84 PolarHBondContact OE2-NE 3.05Å; E77-R84 IonicContact OE2-NH2 2.68Å; E77-R84 PolarHBondContact OE2-NH2 3.37Å
78	Q	97.8	Very high	96.7	Very high	137 Å²	137	70.8 Å²	70.8	64%	0.64	34%	0.337	S	S	*	.	H	α-helix	trans	-59.5	-27.4	176.4	-76.7	171.4	-20.4	0	0	114.1	K74 R75	K74-Q78 VanDerWaalsContact O-CG 3.26Å; K74-Q78 WeakPolarHBondContact O-CG 3.47Å; K74-Q78 PolarHBondContact O-N 3.39Å; K74-Q78 VanDerWaalsContact O-N 3.08Å; R75-Q78 PolarHBondContact O-N 3.32Å
79	V	96.9	Very high	96.7	Very high	54 Å²	54	74.1 Å²	74.1	33%	0.327	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	18.2	177.7	-59.9	0	0	0	0	112.5	R75 M76 E77 L81 K101	R75-V79 WeakPolarHBondContact O-CG2 3.32Å; R75-V79 PolarHBondContact O-N 3.17Å; M76-V79 WeakPolarHBondContact O-CG2 3.22Å; M76-V79 PolarHBondContact O-N 3.42Å; E77-V79 PolarHBondContact O-N 2.97Å; V79-L81 HydrophobicContact CG2-CB 4.39Å; V79-L81 HydrophobicContact CG2-CD1 3.65Å; V79-L81 HydrophobicContact CG2-CG 3.81Å; V79-L81 PolarHBondContact O-N 3.18Å; V79-K101 WeakPolarHBondContact O-CD 3.36Å; V79-K101 PolarHBondContact O-NZ 3.16Å
80	D	97.8	Very high	96.6	Very high	92 Å²	92	76.4 Å²	76.4	49%	0.492	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	31.1	175.7	-169.9	44.8	0	0	0	113.4	M76 E77 T99 K101	M76-D80 PolarHBondContact O-N 2.89Å; E77-D80 PolarHBondContact O-N 3.14Å; D80-T99 WeakPolarHBondContact O-CB 3.48Å; D80-T99 PolarHBondContact O-OG1 3.06Å; D80-K101 HydrophobicContact CB-CD 4.23Å; D80-K101 WeakPolarHBondContact O-CB 3.49Å
81	L	98.2	Very high	96.3	Very high	1 Å²	1	80.9 Å²	80.9	1%	0.005	38%	0.383	C	S	.	.	S	Bend	trans	-86.4	-26.2	173.2	-73.7	171.9	0	0	0	112.3	L36 L44 M76 V79 T99 K101 S102 I105	L36-L81 HydrophobicContact CD2-CD1 3.4Å; L36-L81 HydrophobicContact CD2-CD2 4.27Å; L36-L81 HydrophobicContact CD2-CG 4.49Å; L44-L81 HydrophobicContact CD1-CD2 4.34Å; M76-L81 HydrophobicContact CB-CB 4.3Å; M76-L81 HydrophobicContact CE-CB 4.36Å; M76-L81 PolarHBondContact O-N 3.08Å; V79-L81 HydrophobicContact CG2-CB 4.39Å; V79-L81 HydrophobicContact CG2-CD1 3.65Å; V79-L81 HydrophobicContact CG2-CG 3.81Å; V79-L81 PolarHBondContact O-N 3.18Å; L81-T99 PolarHBondContact O-OG1 3.24Å; L81-K101 HydrophobicContact CD2-CD 4.46Å; L81-K101 HydrophobicContact CD2-CG 4.45Å; L81-S102 WeakPolarHBondContact O-CB 3.32Å; L81-S102 PolarHBondContact O-OG 3.33Å; L81-I105 HydrophobicContact CD2-CD1 3.46Å; L81-I105 VanDerWaalsContact CD2-CD1 3.46Å
82	I	98.6	Very high	96	Very high	3 Å²	3	87.6 Å²	87.6	2%	0.015	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	160.3	179.6	65.7	176.1	0	0	0	109.7	L44 L47 L73 M76 E77 R84 I96 H97	L44-I82 HydrophobicContact CD2-CG2 4.25Å; L47-I82 HydrophobicContact CD1-CG2 3.53Å; L73-I82 HydrophobicContact CB-CD1 3.92Å; L73-I82 HydrophobicContact CD2-CD1 3.76Å; L73-I82 HydrophobicContact CG-CD1 4.4Å; L73-I82 WeakPolarHBondContact O-CD1 3.37Å; M76-I82 HydrophobicContact CB-CD1 3.69Å; M76-I82 HydrophobicContact CB-CG1 3.74Å; M76-I82 HydrophobicContact CB-CG2 4.5Å; M76-I82 HydrophobicContact CE-CG2 3.98Å; E77-I82 WeakPolarHBondContact CA-O 3.36Å; E77-I82 HydrophobicContact CB-CG1 4.11Å; I82-R84 HydrophobicContact CD1-CG 4.36Å; I82-I96 HydrophobicContact CB-CG2 3.61Å; I82-I96 HydrophobicContact CD1-CG2 3.62Å; I82-I96 HydrophobicContact CG1-CG2 4.08Å; I82-I96 HydrophobicContact CG2-CG2 3.86Å; I82-H97 CarbonylContact C-O 3.57Å; I82-H97 VanDerWaalsContact CA-O 3.23Å; I82-H97 WeakPolarHBondContact CA-O 3.47Å; I82-H97 WeakPolarHBondContact CB-O 3.47Å
83	K	98.5	Very high	95.8	Very high	120 Å²	120	89.4 Å²	89.4	52%	0.522	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.2	164.7	178.7	-176.7	176.2	-166.4	0	109.2	I96 H97	K83-I96 CarbonylContact O-C 3.53Å; K83-I96 WeakPolarHBondContact O-CA 3.28Å; K83-H97 HydrophobicContact CB-CB 4.34Å; K83-H97 PolarHBondContact N-O 2.78Å; K83-H97 PolarHBondContact O-N 2.82Å
84	R	97.3	Very high	95.8	Very high	83 Å²	83	90.5 Å²	90.5	31%	0.313	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.9	172.7	-59.8	-174.8	-62.8	156	5.3	110.7	E77 I82 V94 F95	E77-R84 VanDerWaalsContact OE1-CB 3.32Å; E77-R84 WeakPolarHBondContact OE1-CB 3.4Å; E77-R84 PolarHBondContact OE1-N 3.03Å; E77-R84 IonicContact OE1-NE 3.91Å; E77-R84 IonicContact OE2-CZ 3.65Å; E77-R84 IonicContact OE2-NE 3.93Å; E77-R84 PolarHBondContact OE2-NE 3.05Å; E77-R84 IonicContact OE2-NH2 2.68Å; E77-R84 PolarHBondContact OE2-NH2 3.37Å; I82-R84 HydrophobicContact CD1-CG 4.36Å; R84-V94 HydrophobicContact CB-CG1 4.17Å; R84-F95 CarbonylContact C-O 3.16Å; R84-F95 WeakPolarHBondContact CA-O 3.16Å
85	E	96.8	Very high	95.8	Very high	88 Å²	88	88 Å²	88	41%	0.411	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.7	179.7	-172.8	169.1	149.6	0	0	109.2	V94 F95 H97	E85-V94 CarbonylContact O-C 3.54Å; E85-V94 WeakPolarHBondContact O-CA 3.31Å; E85-F95 PolarHBondContact N-O 2.63Å; E85-F95 PolarHBondContact O-N 3.02Å; E85-H97 IonicContact OE2-CE1 3.98Å; E85-H97 IonicContact OE2-NE2 3.9Å; E85-H97 PolarHBondContact OE2-NE2 3.4Å
86	R	95.4	Very high	95.8	Very high	170 Å²	170	81.1 Å²	81.1	64%	0.642	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.3	171.1	-79.2	-178.9	-174.8	-90.1	1.9	108.6	Q91 E93 V94	R86-Q91 PolarHBondContact NH1-O 3.39Å; R86-E93 WeakPolarHBondContact CA-O 3.45Å; R86-V94 HydrophobicContact CG-CG2 4.11Å
87	S	94.9	Very high	95.8	Very high	21 Å²	21	83.3 Å²	83.3	15%	0.147	39%	0.389	C	S	.	.			trans	-62.2	138.2	174.6	-178.8	0	0	0	0	111.2	V89 D90 E93	S87-V89 VanDerWaalsContact C-N 3.31Å; S87-V89 PolarHBondContact OG-N 3.14Å; S87-D90 WeakPolarHBondContact CB-O 3.45Å; S87-D90 PolarHBondContact OG-N 3Å; S87-E93 PolarHBondContact N-O 2.88Å
88	E	93.6	Very high	95.8	Very high	190 Å²	190	81.9 Å²	81.9	89%	0.888	38%	0.383	S	S	*	.	S	Bend	trans	-75.2	-23.1	171.3	-61.1	-172.2	162.4	0	0	112.2
89	V	93.4	Very high	95.9	Very high	144 Å²	144	76.2 Å²	76.2	87%	0.873	36%	0.358	S	S	*	.	S	Bend	trans	-84.4	-44.2	-177.6	-178.2	0	0	0	0	111.7	S87	S87-V89 VanDerWaalsContact C-N 3.31Å; S87-V89 PolarHBondContact OG-N 3.14Å
90	D	93.5	Very high	95.9	Very high	47 Å²	47	80.7 Å²	80.7	25%	0.251	38%	0.38	S	S	.	.			trans	-135.8	103.8	174.2	-176.7	-13.1	0	0	0	109.5	S87 R92 E93	S87-D90 WeakPolarHBondContact CB-O 3.45Å; S87-D90 PolarHBondContact OG-N 3Å; D90-R92 PolarHBondContact O-N 3.12Å; D90-R92 WeakPolarHBondContact OD1-CB 3.46Å; D90-R92 WeakPolarHBondContact OD1-CG 3.38Å; D90-R92 IonicContact OD1-CZ 2.6Å; D90-R92 PolarHBondContact OD1-N 3Å; D90-R92 IonicContact OD1-NE 2.63Å; D90-R92 PolarHBondContact OD1-NE 3.31Å; D90-R92 IonicContact OD1-NH2 2.8Å; D90-R92 IonicContact OD2-CZ 3.4Å; D90-R92 IonicContact OD2-NE 3.3Å; D90-R92 PolarHBondContact OD2-NE 3.13Å; D90-R92 IonicContact OD2-NH2 3.49Å; D90-R92 PolarHBondContact OD2-NH2 3.4Å; D90-E93 HydrophobicContact CB-CG 4.17Å; D90-E93 WeakPolarHBondContact O-CB 3.25Å; D90-E93 PolarHBondContact O-N 3.38Å
91	Q	87.5	Confident	95.9	Very high	155 Å²	155	80.2 Å²	80.2	72%	0.724	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.8	-176.2	-64.6	-173.5	-2.6	0	0	114.7	R86 E93	R86-Q91 PolarHBondContact NH1-O 3.39Å; Q91-E93 VanDerWaalsContact C-N 3.29Å
92	R	89.4	Confident	95.8	Very high	206 Å²	206	80.2 Å²	80.2	78%	0.777	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.7	172.1	-57.6	177.3	-64.7	174.7	2.7	112	D90	D90-R92 PolarHBondContact O-N 3.12Å; D90-R92 WeakPolarHBondContact OD1-CB 3.46Å; D90-R92 WeakPolarHBondContact OD1-CG 3.38Å; D90-R92 IonicContact OD1-CZ 2.6Å; D90-R92 PolarHBondContact OD1-N 3Å; D90-R92 IonicContact OD1-NE 2.63Å; D90-R92 PolarHBondContact OD1-NE 3.31Å; D90-R92 IonicContact OD1-NH2 2.8Å; D90-R92 IonicContact OD2-CZ 3.4Å; D90-R92 IonicContact OD2-NE 3.3Å; D90-R92 PolarHBondContact OD2-NE 3.13Å; D90-R92 IonicContact OD2-NH2 3.49Å; D90-R92 PolarHBondContact OD2-NH2 3.4Å
93	E	93.9	Very high	95.8	Very high	47 Å²	47	83.2 Å²	83.2	22%	0.22	39%	0.387	C	S	.	.			trans	-87.9	135.6	177.9	-58.2	-143.4	129.4	0	0	111.6	N54 K56 R86 S87 D90 Q91 F95	N54-E93 PolarHBondContact ND2-OE1 2.93Å; N54-E93 PolarHBondContact ND2-OE2 3.29Å; K56-E93 IonicContact NZ-OE1 2.82Å; K56-E93 PolarHBondContact NZ-OE1 3.37Å; R86-E93 WeakPolarHBondContact CA-O 3.45Å; S87-E93 PolarHBondContact N-O 2.88Å; D90-E93 HydrophobicContact CB-CG 4.17Å; D90-E93 WeakPolarHBondContact O-CB 3.25Å; D90-E93 PolarHBondContact O-N 3.38Å; Q91-E93 VanDerWaalsContact C-N 3.29Å; E93-F95 HydrophobicContact CB-CE2 4.22Å
94	V	96.4	Very high	95.7	Very high	26 Å²	26	81.9 Å²	81.9	16%	0.158	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.5	176.9	-177.7	0	0	0	0	107.2	N54 V55 R84 E85 R86	N54-V94 WeakPolarHBondContact CA-O 3.26Å; V55-V94 HydrophobicContact CG2-CB 3.71Å; V55-V94 HydrophobicContact CG2-CG1 3.74Å; V55-V94 WeakPolarHBondContact CG2-O 3.15Å; V55-V94 PolarHBondContact N-O 3.16Å; R84-V94 HydrophobicContact CB-CG1 4.17Å; E85-V94 CarbonylContact O-C 3.54Å; E85-V94 WeakPolarHBondContact O-CA 3.31Å; R86-V94 HydrophobicContact CG-CG2 4.11Å
95	F	97.7	Very high	95.6	Very high	59 Å²	59	78 Å²	78	26%	0.259	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	153.7	173.4	-66.2	-84.7	0	0	0	110.1	P52 V53 N54 R84 E85 E93	P52-F95 HydrophobicContact CB-CB 4.44Å; V53-F95 CarbonylContact O-C 3.49Å; V53-F95 VanDerWaalsContact O-CA 3.32Å; V53-F95 WeakPolarHBondContact O-CA 3.44Å; N54-F95 HydrophobicContact CB-CD1 4.07Å; N54-F95 HydrophobicContact CB-CE1 3.82Å; R84-F95 CarbonylContact C-O 3.16Å; R84-F95 WeakPolarHBondContact CA-O 3.16Å; E85-F95 PolarHBondContact N-O 2.63Å; E85-F95 PolarHBondContact O-N 3.02Å; E93-F95 HydrophobicContact CB-CE2 4.22Å
96	I	98	Very high	95.7	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.6	179.8	-47.9	165.1	0	0	0	108	L47 P52 V53 V55 V58 L73 I82 K83	L47-I96 HydrophobicContact CD1-CG2 3.89Å; L47-I96 HydrophobicContact CD2-CB 4.27Å; L47-I96 HydrophobicContact CD2-CG2 4.21Å; L47-I96 WeakPolarHBondContact CD2-O 3.41Å; P52-I96 VanDerWaalsContact CA-O 3.23Å; P52-I96 WeakPolarHBondContact CA-O 3.5Å; P52-I96 WeakPolarHBondContact CB-O 3.33Å; V53-I96 PolarHBondContact N-O 3.03Å; V53-I96 PolarHBondContact O-N 3.45Å; V55-I96 HydrophobicContact CG2-CD1 3.88Å; V55-I96 HydrophobicContact CG2-CG1 3.84Å; V58-I96 HydrophobicContact CG2-CD1 3.79Å; L73-I96 HydrophobicContact CD1-CD1 3.38Å; L73-I96 HydrophobicContact CD1-CG1 4.14Å; L73-I96 HydrophobicContact CD2-CD1 3.75Å; L73-I96 HydrophobicContact CG-CD1 4.18Å; I82-I96 HydrophobicContact CB-CG2 3.61Å; I82-I96 HydrophobicContact CD1-CG2 3.62Å; I82-I96 HydrophobicContact CG1-CG2 4.08Å; I82-I96 HydrophobicContact CG2-CG2 3.86Å; K83-I96 CarbonylContact O-C 3.53Å; K83-I96 WeakPolarHBondContact O-CA 3.28Å
97	H	98.6	Very high	95.7	Very high	46 Å²	46	75 Å²	75	21%	0.213	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	150	179.7	-57.2	-111.1	0	0	0	109.8	P52 I82 K83 E85	P52-H97 VanDerWaalsContact CB-CE1 3.47Å; P52-H97 WeakPolarHBondContact CB-CE1 3.46Å; I82-H97 CarbonylContact C-O 3.57Å; I82-H97 VanDerWaalsContact CA-O 3.23Å; I82-H97 WeakPolarHBondContact CA-O 3.47Å; I82-H97 WeakPolarHBondContact CB-O 3.47Å; K83-H97 HydrophobicContact CB-CB 4.34Å; K83-H97 PolarHBondContact N-O 2.78Å; K83-H97 PolarHBondContact O-N 2.82Å; E85-H97 IonicContact OE2-CE1 3.98Å; E85-H97 IonicContact OE2-NE2 3.9Å; E85-H97 PolarHBondContact OE2-NE2 3.4Å
98	L	98.4	Very high	95.6	Very high	31 Å²	31	77 Å²	77	16%	0.162	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	158.4	163	-71.6	159.2	0	0	0	110.7	L44 L47 S51 S102 E103	L44-L98 HydrophobicContact CD2-CD2 4.24Å; L47-L98 HydrophobicContact CB-CD1 4.26Å; L47-L98 HydrophobicContact CB-CD2 3.68Å; L47-L98 HydrophobicContact CB-CG 3.83Å; L47-L98 HydrophobicContact CD1-CD2 4.32Å; L47-L98 VanDerWaalsContact O-CD1 3.29Å; L47-L98 WeakPolarHBondContact O-CD1 3.41Å; S51-L98 PolarHBondContact OG-N 3.33Å; L98-S102 WeakPolarHBondContact CD2-OG 3.31Å; L98-E103 HydrophobicContact CB-CG 4.35Å; L98-E103 HydrophobicContact CD1-CG 4.43Å; L98-E103 WeakPolarHBondContact CD1-OE2 3.3Å; L98-E103 WeakPolarHBondContact CD2-OE2 3.35Å
99	T	98.4	Very high	95.7	Very high	18 Å²	18	68.1 Å²	68.1	11%	0.11	34%	0.337	C	S	.	.			trans	-115.5	165.4	169.4	61.2	0	0	0	0	108	D80 L81 K101 S102 E103	D80-T99 WeakPolarHBondContact O-CB 3.48Å; D80-T99 PolarHBondContact O-OG1 3.06Å; L81-T99 PolarHBondContact O-OG1 3.24Å; T99-K101 PolarHBondContact O-N 2.92Å; T99-S102 PolarHBondContact N-OG 3.18Å; T99-S102 PolarHBondContact O-N 3.25Å; T99-S102 VanDerWaalsContact O-N 3.11Å; T99-S102 PolarHBondContact O-OG 3.37Å; T99-S102 VanDerWaalsContact O-OG 3.06Å; T99-S102 PolarHBondContact OG1-N 3.3Å; T99-S102 PolarHBondContact OG1-OG 2.91Å; T99-E103 PolarHBondContact O-N 3.24Å; T99-E103 VanDerWaalsContact O-N 3.08Å
100	D	98	Very high	95.5	Very high	148 Å²	148	64.9 Å²	64.9	79%	0.791	32%	0.321	S	S	*	.	H	α-helix	trans	-56.5	-38.2	173.8	-64.9	-32.7	0	0	0	111	S102 E103 T104	D100-S102 PolarHBondContact O-N 3.34Å; D100-E103 PolarHBondContact O-N 3.38Å; D100-T104 WeakPolarHBondContact O-CG2 3.47Å; D100-T104 PolarHBondContact O-N 3.09Å
101	K	97	Very high	95.3	Very high	82 Å²	82	65.6 Å²	65.6	36%	0.357	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-47	176.2	-179.4	-179.6	179.4	179.5	0	111.8	V79 D80 L81 T99 E103 T104 I105	V79-K101 WeakPolarHBondContact O-CD 3.36Å; V79-K101 PolarHBondContact O-NZ 3.16Å; D80-K101 HydrophobicContact CB-CD 4.23Å; D80-K101 WeakPolarHBondContact O-CB 3.49Å; L81-K101 HydrophobicContact CD2-CD 4.46Å; L81-K101 HydrophobicContact CD2-CG 4.45Å; T99-K101 PolarHBondContact O-N 2.92Å; K101-E103 VanDerWaalsContact C-N 3.29Å; K101-E103 PolarHBondContact O-N 3.15Å; K101-T104 PolarHBondContact O-N 3.44Å; K101-T104 PolarHBondContact O-OG1 2.97Å; K101-I105 WeakPolarHBondContact O-CG1 3.05Å
102	S	97.2	Very high	95.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68	-29	178	40.9	0	0	0	0	113	W48 L81 L98 T99 D100 T104 I105 R106	W48-S102 WeakPolarHBondContact CZ2-O 3.13Å; W48-S102 PolarHBondContact NE1-O 3.02Å; L81-S102 WeakPolarHBondContact O-CB 3.32Å; L81-S102 PolarHBondContact O-OG 3.33Å; L98-S102 WeakPolarHBondContact CD2-OG 3.31Å; T99-S102 PolarHBondContact N-OG 3.18Å; T99-S102 PolarHBondContact O-N 3.25Å; T99-S102 VanDerWaalsContact O-N 3.11Å; T99-S102 PolarHBondContact O-OG 3.37Å; T99-S102 VanDerWaalsContact O-OG 3.06Å; T99-S102 PolarHBondContact OG1-N 3.3Å; T99-S102 PolarHBondContact OG1-OG 2.91Å; D100-S102 PolarHBondContact O-N 3.34Å; S102-T104 PolarHBondContact O-N 3.22Å; S102-I105 WeakPolarHBondContact O-CB 3.43Å; S102-I105 PolarHBondContact O-N 3.17Å; S102-I105 VanDerWaalsContact O-N 3.14Å; S102-R106 PolarHBondContact O-N 3.25Å
103	E	97.3	Very high	95.5	Very high	67 Å²	67	53.2 Å²	53.2	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-69.6	-30.4	173.6	-69.1	-46.2	-108.3	0	0	114.3	W48 L98 T99 D100 K101 I105 R106	W48-E103 PolarHBondContact NE1-OE2 3.06Å; L98-E103 HydrophobicContact CB-CG 4.35Å; L98-E103 HydrophobicContact CD1-CG 4.43Å; L98-E103 WeakPolarHBondContact CD1-OE2 3.3Å; L98-E103 WeakPolarHBondContact CD2-OE2 3.35Å; T99-E103 PolarHBondContact O-N 3.24Å; T99-E103 VanDerWaalsContact O-N 3.08Å; D100-E103 PolarHBondContact O-N 3.38Å; K101-E103 VanDerWaalsContact C-N 3.29Å; K101-E103 PolarHBondContact O-N 3.15Å; E103-I105 PolarHBondContact O-N 3.32Å; E103-R106 WeakPolarHBondContact O-CB 3.34Å; E103-R106 PolarHBondContact O-N 3.46Å; E103-R106 IonicContact OE1-NH1 3.39Å; E103-R106 PolarHBondContact OE1-NH1 2.96Å
104	T	96.5	Very high	95.4	Very high	92 Å²	92	56.2 Å²	56.2	56%	0.564	31%	0.305	S	S	*	.	H	α-helix	trans	-64.3	-23	171.6	65.8	0	0	0	0	113.3	D100 K101 S102	D100-T104 WeakPolarHBondContact O-CG2 3.47Å; D100-T104 PolarHBondContact O-N 3.09Å; K101-T104 PolarHBondContact O-N 3.44Å; K101-T104 PolarHBondContact O-OG1 2.97Å; S102-T104 PolarHBondContact O-N 3.22Å
105	I	96.6	Very high	95.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-84.1	-29.1	-177.5	-55.2	172.2	0	0	0	111.3	Y34 L36 W48 L81 K101 S102 E103 P107 E108 L109	Y34-I105 HydrophobicContact CD1-CD1 3.89Å; Y34-I105 HydrophobicContact CD1-CG1 3.61Å; Y34-I105 HydrophobicContact CD2-CG1 4.38Å; Y34-I105 HydrophobicContact CD2-CG2 3.94Å; Y34-I105 HydrophobicContact CE1-CG1 3.79Å; Y34-I105 HydrophobicContact CE2-CG2 4.13Å; Y34-I105 HydrophobicContact CG-CD1 3.99Å; Y34-I105 HydrophobicContact CG-CG1 3.91Å; Y34-I105 HydrophobicContact CG-CG2 4.2Å; L36-I105 HydrophobicContact CD1-CD1 4.36Å; L36-I105 HydrophobicContact CD1-CG2 4.06Å; W48-I105 HydrophobicContact CH2-CB 4.45Å; W48-I105 HydrophobicContact CH2-CG2 4.09Å; W48-I105 HydrophobicContact CZ2-CB 4.07Å; W48-I105 HydrophobicContact CZ2-CG2 4.22Å; L81-I105 HydrophobicContact CD2-CD1 3.46Å; L81-I105 VanDerWaalsContact CD2-CD1 3.46Å; K101-I105 WeakPolarHBondContact O-CG1 3.05Å; S102-I105 WeakPolarHBondContact O-CB 3.43Å; S102-I105 PolarHBondContact O-N 3.17Å; S102-I105 VanDerWaalsContact O-N 3.14Å; E103-I105 PolarHBondContact O-N 3.32Å; I105-P107 VanDerWaalsContact C-CD 3.4Å; I105-P107 VanDerWaalsContact O-N 3.16Å; I105-E108 PolarHBondContact O-N 3.37Å; I105-L109 HydrophobicContact CG2-CD1 3.78Å; I105-L109 HydrophobicContact CG2-CG 4.42Å
106	R	97.2	Very high	95	Very high	101 Å²	101	58.4 Å²	58.4	38%	0.381	32%	0.315	S	S	.	.	H	α-helix	trans	-46	-47.8	-173.2	-172.8	177.5	-179.3	157.3	5.8	114.1	W48 S102 E103 E108 L109 S110	W48-R106 HydrophobicContact CB-CG 4.38Å; W48-R106 HydrophobicContact CD2-CB 4.08Å; W48-R106 HydrophobicContact CD2-CG 3.84Å; W48-R106 HydrophobicContact CE3-CG 4.49Å; W48-R106 HydrophobicContact CG-CB 4.27Å; W48-R106 HydrophobicContact CG-CG 3.75Å; W48-R106 HydrophobicContact CZ2-CB 4.04Å; W48-R106 VanDerWaalsContact O-CZ 3.26Å; W48-R106 PolarHBondContact O-NH1 3.5Å; W48-R106 PolarHBondContact O-NH2 3.44Å; S102-R106 PolarHBondContact O-N 3.25Å; E103-R106 WeakPolarHBondContact O-CB 3.34Å; E103-R106 PolarHBondContact O-N 3.46Å; E103-R106 IonicContact OE1-NH1 3.39Å; E103-R106 PolarHBondContact OE1-NH1 2.96Å; R106-E108 PolarHBondContact O-N 3.29Å; R106-E108 VanDerWaalsContact O-N 3.15Å; R106-L109 PolarHBondContact O-N 3.15Å; R106-L109 VanDerWaalsContact O-N 3.15Å; R106-S110 VanDerWaalsContact O-CB 3.25Å; R106-S110 WeakPolarHBondContact O-CB 3.4Å; R106-S110 PolarHBondContact O-N 2.92Å; R106-S110 PolarHBondContact O-OG 3.13Å
107	P	95.5	Very high	94.7	Very high	94 Å²	94	59.1 Å²	59.1	61%	0.61	32%	0.321	S	S	*	.	H	α-helix	trans	-63.5	-23.1	-176.4	-22	35.2	0	0	0	114.4	I105	I105-P107 VanDerWaalsContact C-CD 3.4Å; I105-P107 VanDerWaalsContact O-N 3.16Å
108	E	93.6	Very high	94.5	Very high	65 Å²	65	60.7 Å²	60.7	30%	0.304	34%	0.337	S	S	.	.	H	α-helix	trans	-84.7	-19.5	179.7	-69.7	-166.1	-136.7	0	0	113.5	V30 K33 Y34 I105 R106	V30-E108 HydrophobicContact CG1-CB 4.05Å; K33-E108 IonicContact NZ-OE1 3.4Å; K33-E108 PolarHBondContact NZ-OE1 3.47Å; K33-E108 IonicContact NZ-OE2 3.7Å; Y34-E108 WeakPolarHBondContact CE2-OE1 3.46Å; Y34-E108 PolarHBondContact OH-OE1 2.83Å; I105-E108 PolarHBondContact O-N 3.37Å; R106-E108 PolarHBondContact O-N 3.29Å; R106-E108 VanDerWaalsContact O-N 3.15Å
109	L	94.7	Very high	94.2	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-126.4	-13.4	-171.4	-69.5	177.6	0	0	0	114.4	Y26 V30 F31 L36 F41 W48 I105 R106 N111 A112	Y26-L109 HydrophobicContact CD1-CD2 3.94Å; Y26-L109 HydrophobicContact CE1-CD2 4.28Å; V30-L109 HydrophobicContact CB-CD2 3.88Å; V30-L109 HydrophobicContact CG1-CD1 4.04Å; V30-L109 HydrophobicContact CG1-CD2 3.65Å; V30-L109 HydrophobicContact CG1-CG 3.77Å; V30-L109 HydrophobicContact CG2-CD2 4.05Å; F31-L109 HydrophobicContact CD1-CD1 4.23Å; F31-L109 HydrophobicContact CD1-CD2 4.39Å; F31-L109 HydrophobicContact CE1-CD1 3.94Å; F31-L109 HydrophobicContact CE1-CD2 3.88Å; L36-L109 HydrophobicContact CD1-CD1 3.87Å; F41-L109 HydrophobicContact CD2-CB 4.13Å; F41-L109 HydrophobicContact CD2-CD1 3.88Å; F41-L109 HydrophobicContact CD2-CD2 4.42Å; F41-L109 HydrophobicContact CD2-CG 4.37Å; F41-L109 HydrophobicContact CE2-CB 4.01Å; W48-L109 HydrophobicContact CH2-CB 3.88Å; W48-L109 HydrophobicContact CH2-CD1 4.18Å; W48-L109 HydrophobicContact CZ3-CB 3.76Å; I105-L109 HydrophobicContact CG2-CD1 3.78Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; R106-L109 PolarHBondContact O-N 3.15Å; R106-L109 VanDerWaalsContact O-N 3.15Å; L109-N111 PolarHBondContact O-N 2.82Å; L109-N111 VanDerWaalsContact O-N 3.17Å; L109-A112 WeakPolarHBondContact O-CB 3.23Å; L109-A112 PolarHBondContact O-N 3.27Å
110	S	90.3	Very high	94	Very high	77 Å²	77	65.2 Å²	65.2	54%	0.538	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.4	-177.3	62.4	0	0	0	0	113.8	R106	R106-S110 VanDerWaalsContact O-CB 3.25Å; R106-S110 WeakPolarHBondContact O-CB 3.4Å; R106-S110 PolarHBondContact O-N 2.92Å; R106-S110 PolarHBondContact O-OG 3.13Å
111	N	90.2	Very high	93.9	Very high	61 Å²	61	63.3 Å²	63.3	33%	0.326	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	20.8	177.2	63.8	21.1	0	0	0	113.4	L109 S113 D114 K115	L109-N111 PolarHBondContact O-N 2.82Å; L109-N111 VanDerWaalsContact O-N 3.17Å; N111-S113 VanDerWaalsContact C-N 3.33Å; N111-S113 PolarHBondContact O-N 2.87Å; N111-D114 PolarHBondContact O-N 2.89Å; N111-K115 WeakPolarHBondContact O-CG 3.49Å; N111-K115 PolarHBondContact O-N 2.71Å; N111-K115 WeakPolarHBondContact OD1-CG 3.32Å
112	A	91.9	Very high	93.9	Very high	5 Å²	5	62 Å²	62	4%	0.041	37%	0.372	C	S	.	.	H	α-helix	trans	-58.7	-41.6	-173.5	0	0	0	0	0	113.1	Y26 F41 L109 K115 V116	Y26-A112 HydrophobicContact CE1-CB 4.02Å; Y26-A112 HydrophobicContact CE2-CB 4.1Å; Y26-A112 VanDerWaalsContact OH-C 3.26Å; Y26-A112 WeakPolarHBondContact OH-CA 3.35Å; Y26-A112 PolarHBondContact OH-O 3.4Å; F41-A112 HydrophobicContact CE2-CB 3.99Å; F41-A112 HydrophobicContact CZ-CB 3.6Å; L109-A112 WeakPolarHBondContact O-CB 3.23Å; L109-A112 PolarHBondContact O-N 3.27Å; A112-K115 PolarHBondContact O-N 2.86Å; A112-V116 WeakPolarHBondContact O-CG2 3.44Å; A112-V116 PolarHBondContact O-N 2.83Å
113	S	88	Confident	93.9	Very high	96 Å²	96	64.7 Å²	64.7	67%	0.671	39%	0.39	S	S	*	.	H	α-helix	trans	-63.1	-46	178.5	-60.6	0	0	0	0	112	N111 K115 V116 A117	N111-S113 VanDerWaalsContact C-N 3.33Å; N111-S113 PolarHBondContact O-N 2.87Å; S113-K115 VanDerWaalsContact C-N 3.31Å; S113-K115 PolarHBondContact O-N 2.8Å; S113-V116 PolarHBondContact O-N 3.4Å; S113-V116 VanDerWaalsContact O-N 3.14Å; S113-A117 PolarHBondContact O-N 3.2Å
114	D	91.7	Very high	93.8	Very high	110 Å²	110	67.8 Å²	67.8	59%	0.588	41%	0.405	S	S	*	.	H	α-helix	trans	-65.1	-36.1	178.5	-63.5	-26.8	0	0	0	112.1	N111 V116 A117 S118	N111-D114 PolarHBondContact O-N 2.89Å; D114-V116 VanDerWaalsContact C-N 3.33Å; D114-A117 PolarHBondContact O-N 3.43Å; D114-S118 WeakPolarHBondContact O-CB 3.32Å; D114-S118 PolarHBondContact O-N 3Å; D114-S118 PolarHBondContact O-OG 3.25Å
115	K	93.2	Very high	93.9	Very high	94 Å²	94	68.9 Å²	68.9	41%	0.409	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-36.9	174.2	-75.1	-66.7	-175.7	-168.3	0	112.3	Y26 N111 A112 S113 S118 A119	Y26-K115 VanDerWaalsContact OH-CB 3.28Å; Y26-K115 WeakPolarHBondContact OH-CB 3.49Å; N111-K115 WeakPolarHBondContact O-CG 3.49Å; N111-K115 PolarHBondContact O-N 2.71Å; N111-K115 WeakPolarHBondContact OD1-CG 3.32Å; A112-K115 PolarHBondContact O-N 2.86Å; S113-K115 VanDerWaalsContact C-N 3.31Å; S113-K115 PolarHBondContact O-N 2.8Å; K115-S118 WeakPolarHBondContact CA-OG 3.2Å; K115-S118 PolarHBondContact O-OG 2.84Å; K115-A119 WeakPolarHBondContact O-CB 3.26Å; K115-A119 PolarHBondContact O-N 3.49Å
116	V	92	Very high	94	Very high	37 Å²	37	73.6 Å²	73.6	22%	0.224	43%	0.429	C	S	.	.	H	α-helix	trans	-67.1	-51	173.7	172.7	0	0	0	0	109.7	V22 Y26 A112 S113 D114 S118 A119 S120	V22-V116 HydrophobicContact CG1-CG2 3.79Å; V22-V116 HydrophobicContact CG2-CG1 4.02Å; V22-V116 HydrophobicContact CG2-CG2 4.35Å; Y26-V116 HydrophobicContact CE2-CG2 3.62Å; A112-V116 WeakPolarHBondContact O-CG2 3.44Å; A112-V116 PolarHBondContact O-N 2.83Å; S113-V116 PolarHBondContact O-N 3.4Å; S113-V116 VanDerWaalsContact O-N 3.14Å; D114-V116 VanDerWaalsContact C-N 3.33Å; V116-S118 PolarHBondContact O-N 3.37Å; V116-A119 PolarHBondContact O-N 3.01Å; V116-S120 WeakPolarHBondContact O-CB 3.36Å; V116-S120 PolarHBondContact O-N 3.49Å; V116-S120 PolarHBondContact O-OG 3.42Å
117	A	93.5	Very high	94	Very high	15 Å²	15	70.3 Å²	70.3	12%	0.124	42%	0.421	C	S	.	.	H	α-helix	trans	-56.2	-48.8	-179.5	0	0	0	0	0	112.3	S113 D114 S120 S121 L122 V127	S113-A117 PolarHBondContact O-N 3.2Å; D114-A117 PolarHBondContact O-N 3.43Å; A117-S120 CarbonylContact O-C 3.57Å; A117-S120 PolarHBondContact O-N 2.84Å; A117-S121 PolarHBondContact O-N 3.47Å; A117-S121 VanDerWaalsContact O-N 3.17Å; A117-L122 PolarHBondContact O-N 2.8Å; A117-V127 HydrophobicContact CB-CG2 3.66Å
118	S	93.3	Very high	94.1	Very high	79 Å²	79	72.1 Å²	72.1	55%	0.552	42%	0.419	S	S	*	.	H	α-helix	trans	-65.8	-40.9	178.2	53	0	0	0	0	113.1	D114 K115 V116 S120 S121	D114-S118 WeakPolarHBondContact O-CB 3.32Å; D114-S118 PolarHBondContact O-N 3Å; D114-S118 PolarHBondContact O-OG 3.25Å; K115-S118 WeakPolarHBondContact CA-OG 3.2Å; K115-S118 PolarHBondContact O-OG 2.84Å; V116-S118 PolarHBondContact O-N 3.37Å; S118-S120 PolarHBondContact O-N 3.15Å; S118-S121 PolarHBondContact O-N 3.44Å
119	A	92.8	Very high	94.3	Very high	76 Å²	76	72.9 Å²	72.9	63%	0.628	42%	0.422	S	S	*	.	H	α-helix	trans	-69.2	-22.2	176.5	0	0	0	0	0	113	K115 V116	K115-A119 WeakPolarHBondContact O-CB 3.26Å; K115-A119 PolarHBondContact O-N 3.49Å; V116-A119 PolarHBondContact O-N 3.01Å
120	S	93.7	Very high	94.5	Very high	69 Å²	69	76.6 Å²	76.6	48%	0.483	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	3.3	174.8	-64.2	0	0	0	0	113.5	V116 A117 S118 L122	V116-S120 WeakPolarHBondContact O-CB 3.36Å; V116-S120 PolarHBondContact O-N 3.49Å; V116-S120 PolarHBondContact O-OG 3.42Å; A117-S120 CarbonylContact O-C 3.57Å; A117-S120 PolarHBondContact O-N 2.84Å; S118-S120 PolarHBondContact O-N 3.15Å; S120-L122 PolarHBondContact O-N 3.14Å
121	S	96.6	Very high	94.8	Very high	107 Å²	107	77.8 Å²	77.8	75%	0.748	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	32.7	-176.9	-56.1	0	0	0	0	113.6	A117 S118	A117-S121 PolarHBondContact O-N 3.47Å; A117-S121 VanDerWaalsContact O-N 3.17Å; S118-S121 PolarHBondContact O-N 3.44Å
122	L	97.1	Very high	95.2	Very high	55 Å²	55	79.9 Å²	79.9	29%	0.288	45%	0.445	S	S	.	.			trans	-84.4	131.1	178.7	-65.3	169.7	0	0	0	110.4	A117 S120 E126 V127 L130	A117-L122 PolarHBondContact O-N 2.8Å; S120-L122 PolarHBondContact O-N 3.14Å; L122-E126 HydrophobicContact CB-CB 4.38Å; L122-E126 HydrophobicContact CD2-CB 3.93Å; L122-V127 HydrophobicContact CB-CG2 3.75Å; L122-V127 HydrophobicContact CD1-CG2 4.31Å; L122-L130 HydrophobicContact CD1-CD2 4.06Å
123	S	96.8	Very high	95.5	Very high	56 Å²	56	83.4 Å²	83.4	39%	0.392	46%	0.463	S	S	.	.			trans	-69.8	165.4	165.9	65.5	0	0	0	0	111.7	D125 E126 V127	S123-D125 VanDerWaalsContact C-N 3.26Å; S123-D125 PolarHBondContact O-N 3.3Å; S123-E126 VanDerWaalsContact CB-OE2 3.32Å; S123-E126 WeakPolarHBondContact CB-OE2 3.33Å; S123-E126 PolarHBondContact N-OE2 2.74Å; S123-E126 PolarHBondContact O-N 2.86Å; S123-E126 WeakPolarHBondContact OG-CB 3.28Å; S123-E126 VanDerWaalsContact OG-CG 3.26Å; S123-E126 WeakPolarHBondContact OG-CG 3.48Å; S123-E126 PolarHBondContact OG-N 3.29Å; S123-E126 PolarHBondContact OG-OE2 2.97Å; S123-V127 WeakPolarHBondContact O-CG2 3.43Å; S123-V127 PolarHBondContact O-N 3.35Å
124	Q	95.3	Very high	95.9	Very high	132 Å²	132	81.6 Å²	81.6	62%	0.617	45%	0.446	S	S	*	.	H	α-helix	trans	-60.5	-35.8	177.6	-70.1	-64.3	-30.3	0	0	112.6	K128	Q124-K128 VanDerWaalsContact O-CG 3.31Å; Q124-K128 WeakPolarHBondContact O-CG 3.45Å; Q124-K128 PolarHBondContact O-N 3.15Å
125	D	97.9	Very high	96.2	Very high	116 Å²	116	77.4 Å²	77.4	62%	0.62	43%	0.428	S	S	*	.	H	α-helix	trans	-73.6	-37.5	178.5	-65.2	-31.5	0	0	0	111.5	S123 K128 E129	S123-D125 VanDerWaalsContact C-N 3.26Å; S123-D125 PolarHBondContact O-N 3.3Å; D125-K128 PolarHBondContact O-N 3.26Å; D125-K128 IonicContact OD1-NZ 2.74Å; D125-E129 WeakPolarHBondContact O-CB 3.32Å; D125-E129 PolarHBondContact O-N 2.73Å
126	E	98.2	Very high	96.3	Very high	99 Å²	99	79.5 Å²	79.5	46%	0.463	44%	0.438	S	S	.	.	H	α-helix	trans	-66	-38.3	172.9	-71.4	167.2	124.8	0	0	112.2	L122 S123 E129 L130	L122-E126 HydrophobicContact CB-CB 4.38Å; L122-E126 HydrophobicContact CD2-CB 3.93Å; S123-E126 VanDerWaalsContact CB-OE2 3.32Å; S123-E126 WeakPolarHBondContact CB-OE2 3.33Å; S123-E126 PolarHBondContact N-OE2 2.74Å; S123-E126 PolarHBondContact O-N 2.86Å; S123-E126 WeakPolarHBondContact OG-CB 3.28Å; S123-E126 VanDerWaalsContact OG-CG 3.26Å; S123-E126 WeakPolarHBondContact OG-CG 3.48Å; S123-E126 PolarHBondContact OG-N 3.29Å; S123-E126 PolarHBondContact OG-OE2 2.97Å; E126-E129 PolarHBondContact O-N 3.17Å; E126-L130 WeakPolarHBondContact O-CB 3.45Å; E126-L130 PolarHBondContact O-N 2.63Å
127	V	97.6	Very high	96.5	Very high	32 Å²	32	80 Å²	80	19%	0.194	44%	0.44	C	S	.	.	H	α-helix	trans	-61.6	-45.8	173.8	170.8	0	0	0	0	110.7	A117 L122 S123 L130 N131	A117-V127 HydrophobicContact CB-CG2 3.66Å; L122-V127 HydrophobicContact CB-CG2 3.75Å; L122-V127 HydrophobicContact CD1-CG2 4.31Å; S123-V127 WeakPolarHBondContact O-CG2 3.43Å; S123-V127 PolarHBondContact O-N 3.35Å; V127-L130 PolarHBondContact O-N 3.19Å; V127-N131 WeakPolarHBondContact O-CB 3.39Å; V127-N131 PolarHBondContact O-N 3.43Å; V127-N131 PolarHBondContact O-ND2 3.48Å; V127-N131 VanDerWaalsContact O-ND2 3.09Å
128	K	97.7	Very high	96.6	Very high	132 Å²	132	84.7 Å²	84.7	57%	0.574	46%	0.462	S	S	*	.	H	α-helix	trans	-61.2	-46.6	176.6	-73.8	171.3	-173	169.8	0	111.2	Q124 D125 N131 R132	Q124-K128 VanDerWaalsContact O-CG 3.31Å; Q124-K128 WeakPolarHBondContact O-CG 3.45Å; Q124-K128 PolarHBondContact O-N 3.15Å; D125-K128 PolarHBondContact O-N 3.26Å; D125-K128 IonicContact OD1-NZ 2.74Å; K128-N131 PolarHBondContact O-N 3Å; K128-R132 WeakPolarHBondContact O-CB 3.3Å; K128-R132 PolarHBondContact O-N 3.1Å
129	E	98.4	Very high	96.6	Very high	81 Å²	81	86.2 Å²	86.2	38%	0.379	46%	0.46	S	S	.	.	H	α-helix	trans	-66.5	-41.4	-179.3	-179.5	58.9	-170.1	0	0	111.7	D125 E126 R132 L133	D125-E129 WeakPolarHBondContact O-CB 3.32Å; D125-E129 PolarHBondContact O-N 2.73Å; E126-E129 PolarHBondContact O-N 3.17Å; E129-R132 VanDerWaalsContact CD-NH2 3.34Å; E129-R132 WeakPolarHBondContact O-CB 3.45Å; E129-R132 PolarHBondContact O-N 3.46Å; E129-R132 IonicContact OE1-CZ 3.05Å; E129-R132 IonicContact OE1-NE 3.94Å; E129-R132 IonicContact OE1-NH2 2.79Å; E129-R132 PolarHBondContact OE1-NH2 2.89Å; E129-R132 IonicContact OE2-CZ 3.26Å; E129-R132 IonicContact OE2-NE 2.77Å; E129-R132 PolarHBondContact OE2-NE 3.02Å; E129-R132 IonicContact OE2-NH2 3.21Å; E129-R132 PolarHBondContact OE2-NH2 3.13Å; E129-L133 HydrophobicContact CG-CD1 4.07Å; E129-L133 HydrophobicContact CG-CG 4.4Å; E129-L133 WeakPolarHBondContact O-CB 3.18Å; E129-L133 VanDerWaalsContact O-CG 3.28Å; E129-L133 WeakPolarHBondContact O-CG 3.27Å; E129-L133 PolarHBondContact O-N 3.16Å
130	L	98	Very high	96.6	Very high	80 Å²	80	85.5 Å²	85.5	42%	0.419	46%	0.455	S	S	.	.	H	α-helix	trans	-60.5	-48.7	175.5	179.1	59.4	0	0	0	111.1	L122 E126 V127 R132 L133 L134	L122-L130 HydrophobicContact CD1-CD2 4.06Å; E126-L130 WeakPolarHBondContact O-CB 3.45Å; E126-L130 PolarHBondContact O-N 2.63Å; V127-L130 PolarHBondContact O-N 3.19Å; L130-R132 VanDerWaalsContact C-N 3.29Å; L130-R132 PolarHBondContact O-N 2.91Å; L130-L133 PolarHBondContact O-N 3.22Å; L130-L134 HydrophobicContact CD1-CD1 4.14Å; L130-L134 HydrophobicContact CD1-CG 4.18Å; L130-L134 HydrophobicContact CG-CD1 4.07Å; L130-L134 WeakPolarHBondContact O-CB 3.49Å; L130-L134 WeakPolarHBondContact O-CG 3.23Å; L130-L134 PolarHBondContact O-N 3.45Å
131	N	97.3	Very high	96.4	Very high	102 Å²	102	90.2 Å²	90.2	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-61.3	-38.8	175.5	-79	-47.6	0	0	0	111.8	V127 K128 L134 G135	V127-N131 WeakPolarHBondContact O-CB 3.39Å; V127-N131 PolarHBondContact O-N 3.43Å; V127-N131 PolarHBondContact O-ND2 3.48Å; V127-N131 VanDerWaalsContact O-ND2 3.09Å; K128-N131 PolarHBondContact O-N 3Å; N131-L134 PolarHBondContact O-N 2.89Å; N131-G135 PolarHBondContact O-N 3.43Å
132	R	98.2	Very high	95.8	Very high	104 Å²	104	89 Å²	89	39%	0.392	45%	0.452	S	S	.	.	H	α-helix	trans	-64.2	-41.8	176.3	-163.6	-163.2	63.5	61.1	-3.3	112	K128 E129 L130 K136	K128-R132 WeakPolarHBondContact O-CB 3.3Å; K128-R132 PolarHBondContact O-N 3.1Å; E129-R132 VanDerWaalsContact CD-NH2 3.34Å; E129-R132 WeakPolarHBondContact O-CB 3.45Å; E129-R132 PolarHBondContact O-N 3.46Å; E129-R132 IonicContact OE1-CZ 3.05Å; E129-R132 IonicContact OE1-NE 3.94Å; E129-R132 IonicContact OE1-NH2 2.79Å; E129-R132 PolarHBondContact OE1-NH2 2.89Å; E129-R132 IonicContact OE2-CZ 3.26Å; E129-R132 IonicContact OE2-NE 2.77Å; E129-R132 PolarHBondContact OE2-NE 3.02Å; E129-R132 IonicContact OE2-NH2 3.21Å; E129-R132 PolarHBondContact OE2-NH2 3.13Å; L130-R132 VanDerWaalsContact C-N 3.29Å; L130-R132 PolarHBondContact O-N 2.91Å; R132-K136 PolarHBondContact O-N 3.08Å; R132-K136 VanDerWaalsContact O-N 3.15Å
133	L	98.1	Very high	94.1	Very high	79 Å²	79	95.5 Å²	95.5	41%	0.414	48%	0.481	S	S	.	.	H	α-helix	trans	-69.8	-43	177.7	-70.3	172.5	0	0	0	111.4	E129 L130 G135 K136 V137	E129-L133 HydrophobicContact CG-CD1 4.07Å; E129-L133 HydrophobicContact CG-CG 4.4Å; E129-L133 WeakPolarHBondContact O-CB 3.18Å; E129-L133 VanDerWaalsContact O-CG 3.28Å; E129-L133 WeakPolarHBondContact O-CG 3.27Å; E129-L133 PolarHBondContact O-N 3.16Å; L130-L133 PolarHBondContact O-N 3.22Å; L133-G135 VanDerWaalsContact C-N 3.32Å; L133-G135 PolarHBondContact O-N 3.2Å; L133-K136 WeakPolarHBondContact O-CB 3.46Å; L133-K136 PolarHBondContact O-N 3.48Å; L133-K136 VanDerWaalsContact O-N 3.17Å; L133-V137 PolarHBondContact O-N 3.12Å; L133-V137 VanDerWaalsContact O-N 3.16Å
134	L	97.2	Very high	92	Very high	58 Å²	58	99.1 Å²	99.1	30%	0.304	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-40.4	173.2	-71.6	173.7	0	0	0	111.4	L15 L130 N131 K136 V137 I138	L15-L134 HydrophobicContact CD2-CD2 3.37Å; L130-L134 HydrophobicContact CD1-CD1 4.14Å; L130-L134 HydrophobicContact CD1-CG 4.18Å; L130-L134 HydrophobicContact CG-CD1 4.07Å; L130-L134 WeakPolarHBondContact O-CB 3.49Å; L130-L134 WeakPolarHBondContact O-CG 3.23Å; L130-L134 PolarHBondContact O-N 3.45Å; N131-L134 PolarHBondContact O-N 2.89Å; L134-K136 VanDerWaalsContact C-N 3.29Å; L134-K136 PolarHBondContact O-N 3Å; L134-V137 WeakPolarHBondContact O-CA 3.42Å; L134-V137 WeakPolarHBondContact O-CB 3.35Å; L134-V137 PolarHBondContact O-N 3.35Å; L134-I138 WeakPolarHBondContact O-CG1 3.17Å; L134-I138 PolarHBondContact O-N 3.37Å
135	G	96.4	Very high	89.6	Confident	22 Å²	22	101.6 Å²	101.6	23%	0.227	51%	0.509	C	S	.	.	H	α-helix	trans	-58.3	-39.7	173.3	0	0	0	0	0	112.7	N131 L133 V137 I138 H139	N131-G135 PolarHBondContact O-N 3.43Å; L133-G135 VanDerWaalsContact C-N 3.32Å; L133-G135 PolarHBondContact O-N 3.2Å; G135-V137 VanDerWaalsContact C-N 3.31Å; G135-V137 PolarHBondContact O-N 2.82Å; G135-I138 PolarHBondContact O-N 3.3Å; G135-H139 PolarHBondContact O-CD2 3.13Å; G135-H139 PolarHBondContact O-N 2.91Å; G135-H139 VanDerWaalsContact O-N 3.15Å
136	K	97.1	Very high	86.5	Confident	139 Å²	139	104.8 Å²	104.8	60%	0.604	52%	0.521	S	S	*	.	H	α-helix	trans	-61.2	-39.4	172.1	-75.7	-172.5	167	-179.1	0	112.4	R132 L133 L134 A140	R132-K136 PolarHBondContact O-N 3.08Å; R132-K136 VanDerWaalsContact O-N 3.15Å; L133-K136 WeakPolarHBondContact O-CB 3.46Å; L133-K136 PolarHBondContact O-N 3.48Å; L133-K136 VanDerWaalsContact O-N 3.17Å; L134-K136 VanDerWaalsContact C-N 3.29Å; L134-K136 PolarHBondContact O-N 3Å; K136-A140 WeakPolarHBondContact O-CB 3.43Å; K136-A140 PolarHBondContact O-N 3.06Å
137	V	95.9	Very high	83.3	Confident	46 Å²	46	113.4 Å²	113.4	28%	0.279	56%	0.557	S	S	.	*	H	α-helix	trans	-70	-42.8	178.4	177.8	0	0	0	0	111.4	L11 L15 L133 L134 G135 H139 A140	L11-V137 HydrophobicContact CD2-CG2 4.49Å; L15-V137 HydrophobicContact CD1-CG1 4Å; L133-V137 PolarHBondContact O-N 3.12Å; L133-V137 VanDerWaalsContact O-N 3.16Å; L134-V137 WeakPolarHBondContact O-CA 3.42Å; L134-V137 WeakPolarHBondContact O-CB 3.35Å; L134-V137 PolarHBondContact O-N 3.35Å; G135-V137 VanDerWaalsContact C-N 3.31Å; G135-V137 PolarHBondContact O-N 2.82Å; V137-H139 VanDerWaalsContact C-N 3.33Å; V137-H139 PolarHBondContact O-N 2.99Å; V137-A140 VanDerWaalsContact O-CB 3.3Å; V137-A140 WeakPolarHBondContact O-CB 3.5Å; V137-A140 PolarHBondContact O-N 3.04Å
138	I	94.1	Very high	82.6	Confident	114 Å²	114	117.5 Å²	117.5	59%	0.585	58%	0.575	S	S	*	*	H	α-helix	trans	-58.1	-46.6	179.3	-70.9	163.7	0	0	0	110.5	L134 G135 A140	L134-I138 WeakPolarHBondContact O-CG1 3.17Å; L134-I138 PolarHBondContact O-N 3.37Å; G135-I138 PolarHBondContact O-N 3.3Å; I138-A140 VanDerWaalsContact C-N 3.32Å; I138-A140 PolarHBondContact O-N 2.92Å
139	H	93.9	Very high	81.8	Confident	111 Å²	111	116.7 Å²	116.7	51%	0.514	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-86.4	3.7	-179.2	-62	-57.8	0	0	0	114.6	G135 V137 F141 D142	G135-H139 PolarHBondContact O-CD2 3.13Å; G135-H139 PolarHBondContact O-N 2.91Å; G135-H139 VanDerWaalsContact O-N 3.15Å; V137-H139 VanDerWaalsContact C-N 3.33Å; V137-H139 PolarHBondContact O-N 2.99Å; H139-F141 PolarHBondContact O-N 2.93Å; H139-D142 WeakPolarHBondContact CA-OD2 3.44Å; H139-D142 IonicContact CE1-OD2 3.45Å; H139-D142 IonicContact CG-OD2 2.78Å; H139-D142 IonicContact ND1-OD2 3.65Å; H139-D142 PolarHBondContact ND1-OD2 2.85Å
140	A	93.4	Very high	80.9	Confident	62 Å²	62	118.7 Å²	118.7	51%	0.512	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-67.4	-21.6	-175.6	0	0	0	0	0	113	K136 V137 I138	K136-A140 WeakPolarHBondContact O-CB 3.43Å; K136-A140 PolarHBondContact O-N 3.06Å; V137-A140 VanDerWaalsContact O-CB 3.3Å; V137-A140 WeakPolarHBondContact O-CB 3.5Å; V137-A140 PolarHBondContact O-N 3.04Å; I138-A140 VanDerWaalsContact C-N 3.32Å; I138-A140 PolarHBondContact O-N 2.92Å
141	F	88.3	Confident	79.9	Confident	168 Å²	168	121 Å²	121	74%	0.737	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-123.6	9.9	-172.6	-49.7	-74.8	0	0	0	113.5	H139 E143	H139-F141 PolarHBondContact O-N 2.93Å; F141-E143 PolarHBondContact O-N 2.78Å
142	D	84.2	Confident	78.8	Confident	82 Å²	82	122.2 Å²	122.2	44%	0.439	60%	0.599	S	S	.	*			trans	-63.5	110	171.5	-68.7	-24.2	0	0	0	107.3	H139 T144	H139-D142 WeakPolarHBondContact CA-OD2 3.44Å; H139-D142 IonicContact CE1-OD2 3.45Å; H139-D142 IonicContact CG-OD2 2.78Å; H139-D142 IonicContact ND1-OD2 3.65Å; H139-D142 PolarHBondContact ND1-OD2 2.85Å; D142-T144 PolarHBondContact O-N 3.07Å
143	E	61.6	Low	77.5	Confident	191 Å²	191	123.4 Å²	123.4	89%	0.893	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-59.5	5.1	-173.9	-65.5	-177.9	161.4	0	0	114.4	F141	F141-E143 PolarHBondContact O-N 2.78Å
144	T	53.2	Low	76.1	Confident	131 Å²	131	126.6 Å²	126.6	80%	0.804	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-89.8	8.8	-176.8	39.2	0	0	0	0	115	D142	D142-T144 PolarHBondContact O-N 3.07Å
145	K	44.4	Very low	74.4	Confident	184 Å²	184	131.8 Å²	131.8	80%	0.8	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-101	5.2	173.5	-76.8	-172	-179.5	173.9	0	116
146	E	32.9	Very low	72.6	Confident	184 Å²	184	141 Å²	141	86%	0.86	69%	0.687	S	S	*	*			trans	-104.4	84.6	168	-71.1	-172.4	169.1	0	0	110.6
147	K	32.2	Very low	70.4	Confident	280 Å²	280	141.2 Å²	141.2	100%	1.217	69%	0.694	S	S	*	*			trans	-143	0	153.6	-83.5	-166.2	179.4	178.4	0	109.7

Retrieved 147 of 147 residues in 276.2 ms (Link to these results)

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