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Cytosolic Fe-S cluster assembly factor NUBP1

Component of the cytosolic iron-sulfur (Fe/S) protein assembly (CIA) machinery. Required for maturation of extramitochondrial Fe-S proteins. The NUBP1-NUBP2 heterotetramer forms a Fe-S scaffold complex, mediating the de novo assembly of an Fe-S cluster and its transfer to target apoproteins. Implicated in the regulation of centrosome duplication. Negatively regulates cilium formation and structure.

AlphaFold DB , UniProt , Accession A0A061HZP1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Nubp1, Length 323 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	43.7	Very low	61.4	Low	218 Å²	218	105.7 Å²	105.7	100%	1.074	61%	0.613	S	S	*	*				0	137.4	0	-82.1	162.3	57.7	0	0	106.8	E3	M1-E3 PolarHBondContact O-N 3.14Å
2	E	39.8	Very low	62	Low	195 Å²	195	108.1 Å²	108.1	91%	0.911	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-56	124.5	150.4	-86.4	172.1	132.9	0	0	105.7	A4	E2-A4 PolarHBondContact O-N 3.15Å
3	E	42.5	Very low	63.2	Low	173 Å²	173	103.2 Å²	103.2	81%	0.808	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-49.3	135.5	175.9	-73.4	-178.7	148.6	0	0	109	M1 P5	M1-E3 PolarHBondContact O-N 3.14Å; E3-P5 VanDerWaalsContact O-N 3.16Å
4	A	54.8	Low	64.2	Low	70 Å²	70	102.3 Å²	102.3	58%	0.579	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-53.3	127.5	175.5	0	0	0	0	0	108	E2 H6	E2-A4 PolarHBondContact O-N 3.15Å; A4-H6 PolarHBondContact O-N 3.14Å
5	P	59	Low	65.3	Low	78 Å²	78	103.7 Å²	103.7	51%	0.506	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-55.8	137	-174.4	17.8	-29.2	0	0	0	110	E3 G7 C8	E3-P5 VanDerWaalsContact O-N 3.16Å; P5-G7 PolarHBondContact O-N 3.14Å; P5-G7 VanDerWaalsContact O-N 3.09Å; P5-C8 PolarHBondContact O-N 2.74Å
6	H	58.6	Low	66.3	Low	196 Å²	196	97.6 Å²	97.6	91%	0.907	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.2	119.2	178.5	-86	-67.4	0	0	0	110.2	A4	A4-H6 PolarHBondContact O-N 3.14Å
7	G	70.1	Confident	67.2	Low	59 Å²	59	92.1 Å²	92.1	61%	0.608	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	14	-178.4	0	0	0	0	0	115.9	P5 S21	P5-G7 PolarHBondContact O-N 3.14Å; P5-G7 VanDerWaalsContact O-N 3.09Å; G7-S21 WeakPolarHBondContact O-CB 3.44Å; G7-S21 PolarHBondContact O-OG 2.95Å
8	C	78.6	Confident	68.1	Low	64 Å²	64	97.1 Å²	97.1	43%	0.432	55%	0.549	S	S	.	.			trans	-59.5	125.2	168.9	-175.7	0	0	0	0	110.7	P5 G10	P5-C8 PolarHBondContact O-N 2.74Å; C8-G10 PolarHBondContact O-N 3.28Å
9	P	78.2	Confident	68.9	Low	36 Å²	36	92.4 Å²	92.4	23%	0.234	52%	0.524	C	S	.	.			trans	-72.5	-9	-178.8	29.7	-35.1	0	0	0	113.4	S13 Q15 S21	P9-S13 WeakPolarHBondContact O-CB 3.35Å; P9-Q15 HydrophobicContact CB-CB 3.97Å; P9-Q15 HydrophobicContact CG-CB 4.23Å; P9-S21 WeakPolarHBondContact CD-OG 3.45Å
10	G	74.3	Confident	69.6	Low	33 Å²	33	92.1 Å²	92.1	34%	0.34	53%	0.534	S	S	.	.			trans	86.2	156.1	-172.4	0	0	0	0	0	112.5	C8 D12 S13 A16	C8-G10 PolarHBondContact O-N 3.28Å; G10-D12 VanDerWaalsContact C-N 3.28Å; G10-D12 PolarHBondContact O-N 3.03Å; G10-S13 PolarHBondContact O-N 3.17Å; G10-A16 WeakPolarHBondContact O-CB 3.36Å
11	A	75.8	Confident	70.3	Confident	41 Å²	41	90.2 Å²	90.2	34%	0.339	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27	-178.7	0	0	0	0	0	112.9	A16	A11-A16 VanDerWaalsContact O-CB 3.25Å; A11-A16 WeakPolarHBondContact O-CB 3.41Å
12	D	68.6	Low	72.1	Confident	134 Å²	134	80.2 Å²	80.2	72%	0.717	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.1	-176.9	-50.5	-42.6	0	0	0	113.4	G10	G10-D12 VanDerWaalsContact C-N 3.28Å; G10-D12 PolarHBondContact O-N 3.03Å
13	S	77.6	Confident	74.1	Confident	45 Å²	45	78.2 Å²	78.2	32%	0.315	47%	0.468	S	S	.	.	S	Bend	trans	-81.8	147.3	-179.2	173.1	0	0	0	0	112	P9 G10 Q15 A16	P9-S13 WeakPolarHBondContact O-CB 3.35Å; G10-S13 PolarHBondContact O-N 3.17Å; S13-Q15 PolarHBondContact O-N 3.3Å; S13-Q15 PolarHBondContact OG-N 3.4Å; S13-Q15 VanDerWaalsContact OG-N 3.14Å; S13-A16 WeakPolarHBondContact O-CB 3.47Å; S13-A16 PolarHBondContact O-N 3Å
14	A	77.4	Confident	75.7	Confident	90 Å²	90	73.5 Å²	73.5	74%	0.744	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.4	170.4	0	0	0	0	0	113.1
15	Q	80.1	Confident	76.9	Confident	123 Å²	123	72.4 Å²	72.4	58%	0.575	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	0.7	175	-61.5	-165.3	-4.7	0	0	113.7	P9 S13 G17 R18 G19	P9-Q15 HydrophobicContact CB-CB 3.97Å; P9-Q15 HydrophobicContact CG-CB 4.23Å; S13-Q15 PolarHBondContact O-N 3.3Å; S13-Q15 PolarHBondContact OG-N 3.4Å; S13-Q15 VanDerWaalsContact OG-N 3.14Å; Q15-G17 PolarHBondContact O-N 3.06Å; Q15-R18 CarbonylContact O-C 3.53Å; Q15-R18 PolarHBondContact O-N 3.36Å; Q15-G19 PolarHBondContact O-N 3.35Å
16	A	81.5	Confident	77.8	Confident	6 Å²	6	74.8 Å²	74.8	5%	0.05	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	121.6	178.2	0	0	0	0	0	110.9	G10 A11 S13 R18 C31 A32	G10-A16 WeakPolarHBondContact O-CB 3.36Å; A11-A16 VanDerWaalsContact O-CB 3.25Å; A11-A16 WeakPolarHBondContact O-CB 3.41Å; S13-A16 WeakPolarHBondContact O-CB 3.47Å; S13-A16 PolarHBondContact O-N 3Å; A16-R18 PolarHBondContact O-N 2.79Å; A16-C31 HydrophobicContact CB-CB 3.92Å; A16-C31 CarbonylContact O-C 3.59Å; A16-A32 WeakPolarHBondContact O-CA 3.44Å; A16-A32 PolarHBondContact O-N 3.06Å
17	G	82	Confident	78.7	Confident	5 Å²	5	70.1 Å²	70.1	5%	0.052	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	-3.8	-177.1	0	0	0	0	0	115.5	Q15 C22 Q28	Q15-G17 PolarHBondContact O-N 3.06Å; G17-C22 PolarHBondContact N-SG 3.05Å; G17-Q28 VanDerWaalsContact CA-O 3.29Å; G17-Q28 WeakPolarHBondContact CA-O 3.38Å; G17-Q28 VanDerWaalsContact O-CG 3.24Å; G17-Q28 WeakPolarHBondContact O-CG 3.43Å; G17-Q28 PolarHBondContact O-NE2 3.36Å
18	R	83.5	Confident	79.4	Confident	182 Å²	182	70.1 Å²	70.1	69%	0.687	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-22.9	-175.9	-60.6	177.1	-173.1	179.3	2.7	113.2	Q15 A16 A32	Q15-R18 CarbonylContact O-C 3.53Å; Q15-R18 PolarHBondContact O-N 3.36Å; A16-R18 PolarHBondContact O-N 2.79Å; R18-A32 HydrophobicContact CG-CB 4.32Å; R18-A32 PolarHBondContact NE-O 2.84Å; R18-A32 PolarHBondContact NH2-O 2.87Å
19	G	83.3	Confident	79.5	Confident	8 Å²	8	77.8 Å²	77.8	8%	0.082	45%	0.454	C	S	.	.	S	Bend	trans	-72.7	158.1	178.3	0	0	0	0	0	113.2	Q15 S21 C22	Q15-G19 PolarHBondContact O-N 3.35Å; G19-S21 PolarHBondContact O-N 3.02Å; G19-C22 WeakPolarHBondContact O-CB 3.23Å; G19-C22 PolarHBondContact O-N 3.18Å
20	A	83.3	Confident	79.5	Confident	86 Å²	86	80.9 Å²	80.9	71%	0.711	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-58.3	-35.8	179.2	0	0	0	0	0	112.4	C22 Q23	A20-C22 PolarHBondContact O-N 2.95Å; A20-Q23 PolarHBondContact O-N 3.44Å
21	S	84.4	Confident	79.8	Confident	52 Å²	52	80.6 Å²	80.6	36%	0.364	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-70.1	-9.4	175.5	51	0	0	0	0	114.4	G7 P9 G19	G7-S21 WeakPolarHBondContact O-CB 3.44Å; G7-S21 PolarHBondContact O-OG 2.95Å; P9-S21 WeakPolarHBondContact CD-OG 3.45Å; G19-S21 PolarHBondContact O-N 3.02Å
22	C	80.9	Confident	80.1	Confident	9 Å²	9	80.1 Å²	80.1	6%	0.061	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-92.9	-8.7	175.6	-59.6	0	0	0	0	113.3	G17 G19 A20 G24 C25 Q28	G17-C22 PolarHBondContact N-SG 3.05Å; G19-C22 WeakPolarHBondContact O-CB 3.23Å; G19-C22 PolarHBondContact O-N 3.18Å; A20-C22 PolarHBondContact O-N 2.95Å; C22-G24 PolarHBondContact O-N 3.21Å; C22-C25 WeakPolarHBondContact O-CB 3.24Å; C22-C25 PolarHBondContact O-N 2.98Å; C22-C25 VanDerWaalsContact O-N 3.09Å; C22-Q28 HydrophobicContact CB-CG 4.2Å; C22-Q28 WeakPolarHBondContact O-CB 3.48Å; C22-Q28 WeakPolarHBondContact O-CG 3.42Å; C22-Q28 PolarHBondContact O-OE1 3.19Å
23	Q	81.6	Confident	80.5	Confident	153 Å²	153	77.5 Å²	77.5	72%	0.715	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	122.6	-179.5	-70.5	-172.9	-3.4	0	0	110.9	A20 C25	A20-Q23 PolarHBondContact O-N 3.44Å; Q23-C25 VanDerWaalsContact C-N 3.28Å
24	G	76.7	Confident	80	Confident	73 Å²	73	77 Å²	77	75%	0.753	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	1.8	-176.9	0	0	0	0	0	114.3	C22	C22-G24 PolarHBondContact O-N 3.21Å
25	C	79.2	Confident	79.2	Confident	47 Å²	47	75.5 Å²	75.5	32%	0.318	44%	0.438	S	S	.	.			trans	-69.6	131.4	172.2	180	0	0	0	0	110.2	C22 Q23 N27 Q28	C22-C25 WeakPolarHBondContact O-CB 3.24Å; C22-C25 PolarHBondContact O-N 2.98Å; C22-C25 VanDerWaalsContact O-N 3.09Å; Q23-C25 VanDerWaalsContact C-N 3.28Å; C25-N27 PolarHBondContact O-N 3.47Å; C25-N27 VanDerWaalsContact O-N 3.1Å; C25-Q28 HydrophobicContact CB-CB 4.22Å; C25-Q28 WeakPolarHBondContact O-CB 3.09Å; C25-Q28 PolarHBondContact O-N 3.13Å
26	P	79.1	Confident	78.1	Confident	128 Å²	128	71 Å²	71	83%	0.831	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-33	177.9	-27.3	34.3	0	0	0	113.7
27	N	77.6	Confident	76.9	Confident	98 Å²	98	73 Å²	73	52%	0.524	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	7.4	-178.7	-66.3	-27.4	0	0	0	113.7	C25 R29 L30 C31	C25-N27 PolarHBondContact O-N 3.47Å; C25-N27 VanDerWaalsContact O-N 3.1Å; N27-R29 PolarHBondContact O-N 3.34Å; N27-L30 PolarHBondContact O-N 2.62Å; N27-L30 VanDerWaalsContact O-N 3.11Å; N27-C31 PolarHBondContact O-N 2.66Å; N27-C31 PolarHBondContact O-SG 3.36Å
28	Q	83.5	Confident	75.8	Confident	60 Å²	60	75.8 Å²	75.8	28%	0.28	46%	0.464	S	S	.	.	H	α-helix	trans	-53.4	-47.5	-174.5	-175.1	-178.5	1.5	0	0	112.9	G17 C22 C25 L30 C31 A32	G17-Q28 VanDerWaalsContact CA-O 3.29Å; G17-Q28 WeakPolarHBondContact CA-O 3.38Å; G17-Q28 VanDerWaalsContact O-CG 3.24Å; G17-Q28 WeakPolarHBondContact O-CG 3.43Å; G17-Q28 PolarHBondContact O-NE2 3.36Å; C22-Q28 HydrophobicContact CB-CG 4.2Å; C22-Q28 WeakPolarHBondContact O-CB 3.48Å; C22-Q28 WeakPolarHBondContact O-CG 3.42Å; C22-Q28 PolarHBondContact O-OE1 3.19Å; C25-Q28 HydrophobicContact CB-CB 4.22Å; C25-Q28 WeakPolarHBondContact O-CB 3.09Å; C25-Q28 PolarHBondContact O-N 3.13Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 2.99Å; Q28-C31 PolarHBondContact O-N 3.06Å; Q28-A32 VanDerWaalsContact O-CB 3.23Å; Q28-A32 WeakPolarHBondContact O-CB 3.49Å; Q28-A32 PolarHBondContact O-N 2.88Å
29	R	81.4	Confident	75	Confident	224 Å²	224	72.5 Å²	72.5	85%	0.845	47%	0.466	S	S	*	.	H	α-helix	trans	-65.2	-37.2	-179.1	-70	-176.7	-178.9	172.1	0.7	112.6	N27 A32 S33	N27-R29 PolarHBondContact O-N 3.34Å; R29-A32 PolarHBondContact O-N 3.47Å; R29-S33 PolarHBondContact O-N 2.88Å; R29-S33 VanDerWaalsContact O-N 3.11Å; R29-S33 PolarHBondContact O-OG 3.45Å
30	L	78.3	Confident	74.5	Confident	101 Å²	101	74.4 Å²	74.4	53%	0.529	48%	0.475	S	S	.	.	H	α-helix	trans	-73.1	-37.3	-178.9	-157	112	0	0	0	111.7	N27 Q28 S33 A35 G36	N27-L30 PolarHBondContact O-N 2.62Å; N27-L30 VanDerWaalsContact O-N 3.11Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 2.99Å; L30-S33 PolarHBondContact O-OG 2.96Å; L30-A35 PolarHBondContact O-N 2.89Å; L30-G36 PolarHBondContact O-N 3.07Å
31	C	81.2	Confident	74.3	Confident	27 Å²	27	74.9 Å²	74.9	18%	0.182	47%	0.47	C	S	.	.	H	α-helix	trans	-69.2	-42	171.5	-66.4	0	0	0	0	111.4	A16 N27 Q28 S33 G34	A16-C31 HydrophobicContact CB-CB 3.92Å; A16-C31 CarbonylContact O-C 3.59Å; N27-C31 PolarHBondContact O-N 2.66Å; N27-C31 PolarHBondContact O-SG 3.36Å; Q28-C31 PolarHBondContact O-N 3.06Å; C31-S33 VanDerWaalsContact C-N 3.3Å; C31-S33 PolarHBondContact O-N 2.8Å; C31-G34 PolarHBondContact O-N 3.35Å; C31-G34 VanDerWaalsContact O-N 3.09Å
32	A	81	Confident	74.2	Confident	31 Å²	31	72.5 Å²	72.5	26%	0.256	45%	0.454	S	S	.	.	H	α-helix	trans	-66.3	-29.9	-178.3	0	0	0	0	0	113.6	A16 R18 Q28 R29 G34	A16-A32 WeakPolarHBondContact O-CA 3.44Å; A16-A32 PolarHBondContact O-N 3.06Å; R18-A32 HydrophobicContact CG-CB 4.32Å; R18-A32 PolarHBondContact NE-O 2.84Å; R18-A32 PolarHBondContact NH2-O 2.87Å; Q28-A32 VanDerWaalsContact O-CB 3.23Å; Q28-A32 WeakPolarHBondContact O-CB 3.49Å; Q28-A32 PolarHBondContact O-N 2.88Å; R29-A32 PolarHBondContact O-N 3.47Å; A32-G34 PolarHBondContact O-N 3.07Å
33	S	77.7	Confident	74.5	Confident	80 Å²	80	73.1 Å²	73.1	56%	0.559	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.7	175.6	66.9	0	0	0	0	113.4	R29 L30 C31 A35	R29-S33 PolarHBondContact O-N 2.88Å; R29-S33 VanDerWaalsContact O-N 3.11Å; R29-S33 PolarHBondContact O-OG 3.45Å; L30-S33 PolarHBondContact O-OG 2.96Å; C31-S33 VanDerWaalsContact C-N 3.3Å; C31-S33 PolarHBondContact O-N 2.8Å; S33-A35 PolarHBondContact O-N 3.44Å; S33-A35 WeakPolarHBondContact OG-CB 3.41Å; S33-A35 PolarHBondContact OG-N 2.83Å
34	G	66.1	Low	74.8	Confident	35 Å²	35	70.6 Å²	70.6	36%	0.361	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	-1.1	-174	0	0	0	0	0	113.9	C31 A32 G36 A37 A38	C31-G34 PolarHBondContact O-N 3.35Å; C31-G34 VanDerWaalsContact O-N 3.09Å; A32-G34 PolarHBondContact O-N 3.07Å; G34-G36 PolarHBondContact O-N 3.32Å; G34-A37 PolarHBondContact O-N 3.31Å; G34-A38 PolarHBondContact O-N 2.85Å
35	A	61.8	Low	75.5	Confident	57 Å²	57	71.5 Å²	71.5	47%	0.471	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.1	178.6	0	0	0	0	0	112.6	L30 S33 A37	L30-A35 PolarHBondContact O-N 2.89Å; S33-A35 PolarHBondContact O-N 3.44Å; S33-A35 WeakPolarHBondContact OG-CB 3.41Å; S33-A35 PolarHBondContact OG-N 2.83Å; A35-A37 VanDerWaalsContact C-N 3.26Å; A35-A37 PolarHBondContact O-N 2.94Å
36	G	56.6	Low	76.1	Confident	29 Å²	29	69.3 Å²	69.3	30%	0.299	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.2	172.2	0	0	0	0	0	114.9	L30 G34	L30-G36 PolarHBondContact O-N 3.07Å; G34-G36 PolarHBondContact O-N 3.32Å
37	A	55.3	Low	76.8	Confident	49 Å²	49	66.4 Å²	66.4	41%	0.405	39%	0.39	S	S	.	.	S	Bend	trans	-105.9	-4.8	179.3	0	0	0	0	0	112.8	G34 A35	G34-A37 PolarHBondContact O-N 3.31Å; A35-A37 VanDerWaalsContact C-N 3.26Å; A35-A37 PolarHBondContact O-N 2.94Å
38	A	59.9	Low	77.5	Confident	62 Å²	62	66.4 Å²	66.4	51%	0.512	39%	0.387	S	S	.	.	S	Bend	trans	-68.8	131.9	175.6	0	0	0	0	0	108.9	G34 D40	G34-A38 PolarHBondContact O-N 2.85Å; A38-D40 PolarHBondContact O-N 3.17Å
39	P	65.5	Low	77.9	Confident	113 Å²	113	67 Å²	67	73%	0.734	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-54	131.9	171.9	-20.7	30.4	0	0	0	109	P41	P39-P41 WeakPolarHBondContact O-CD 3.23Å; P39-P41 VanDerWaalsContact O-N 3.12Å
40	D	74.3	Confident	78.5	Confident	49 Å²	49	56.3 Å²	56.3	26%	0.262	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-54.6	118.6	174.8	-170.6	-28.6	0	0	0	108.4	A38 A42 V43 K154	A38-D40 PolarHBondContact O-N 3.17Å; D40-A42 PolarHBondContact O-N 3.19Å; D40-A42 VanDerWaalsContact OD1-CB 3.29Å; D40-A42 WeakPolarHBondContact OD1-CB 3.36Å; D40-A42 PolarHBondContact OD1-N 3.07Å; D40-V43 HydrophobicContact CB-CG2 4.12Å; D40-V43 WeakPolarHBondContact O-CB 3.33Å; D40-V43 PolarHBondContact O-N 3.18Å; D40-K154 IonicContact OD1-NZ 2.67Å; D40-K154 PolarHBondContact OD1-NZ 3.41Å; D40-K154 VanDerWaalsContact OD2-CE 3.24Å; D40-K154 WeakPolarHBondContact OD2-CE 3.27Å; D40-K154 IonicContact OD2-NZ 3.87Å; D40-K154 PolarHBondContact OD2-NZ 3.28Å
41	P	79.1	Confident	79.2	Confident	95 Å²	95	58 Å²	58	62%	0.617	35%	0.351	S	S	*	.	H	α-helix	trans	-58	-24.4	-174.4	21.7	-32.7	0	0	0	112.2	P39 V43 E44 E45	P39-P41 WeakPolarHBondContact O-CD 3.23Å; P39-P41 VanDerWaalsContact O-N 3.12Å; P41-V43 PolarHBondContact O-N 3.42Å; P41-E44 PolarHBondContact O-N 3Å; P41-E45 PolarHBondContact O-N 3.15Å
42	A	81.9	Confident	79.8	Confident	2 Å²	2	59.3 Å²	59.3	2%	0.017	36%	0.358	C	S	.	.	H	α-helix	trans	-61.5	-24.2	174.3	0	0	0	0	0	113.5	D40 E45 I46 K154	D40-A42 PolarHBondContact O-N 3.19Å; D40-A42 VanDerWaalsContact OD1-CB 3.29Å; D40-A42 WeakPolarHBondContact OD1-CB 3.36Å; D40-A42 PolarHBondContact OD1-N 3.07Å; A42-E45 PolarHBondContact O-N 3Å; A42-I46 HydrophobicContact CB-CD1 4.48Å; A42-I46 VanDerWaalsContact O-CB 3.25Å; A42-I46 WeakPolarHBondContact O-CB 3.25Å; A42-I46 WeakPolarHBondContact O-CD1 3.41Å; A42-I46 WeakPolarHBondContact O-CG1 3.44Å; A42-I46 PolarHBondContact O-N 3.35Å; A42-K154 HydrophobicContact CB-CD 3.45Å; A42-K154 VanDerWaalsContact CB-CD 3.45Å; A42-K154 HydrophobicContact CB-CG 3.81Å
43	V	86.6	Confident	80.6	Confident	22 Å²	22	57.9 Å²	57.9	13%	0.133	35%	0.346	C	S	.	.	H	α-helix	trans	-65.3	-42.4	178.9	173.6	0	0	0	0	111.2	D40 P41 K47 Y186 A189	D40-V43 HydrophobicContact CB-CG2 4.12Å; D40-V43 WeakPolarHBondContact O-CB 3.33Å; D40-V43 PolarHBondContact O-N 3.18Å; P41-V43 PolarHBondContact O-N 3.42Å; V43-K47 WeakPolarHBondContact O-CB 3.38Å; V43-K47 PolarHBondContact O-N 3.45Å; V43-Y186 HydrophobicContact CG2-CD1 4Å; V43-A189 HydrophobicContact CG1-CB 3.62Å
44	E	87.9	Confident	81.4	Confident	100 Å²	100	58.7 Å²	58.7	47%	0.467	34%	0.34	S	S	.	.	H	α-helix	trans	-72.8	-37	176.4	-70.7	-60.8	134.9	0	0	111.4	P41 I46 K47 E48	P41-E44 PolarHBondContact O-N 3Å; E44-I46 PolarHBondContact O-N 3.42Å; E44-K47 WeakPolarHBondContact O-CB 3.39Å; E44-K47 PolarHBondContact O-N 2.54Å; E44-K47 IonicContact OE1-NZ 2.77Å; E44-K47 VanDerWaalsContact OE2-CD 3.3Å; E44-K47 WeakPolarHBondContact OE2-CD 3.46Å; E44-K47 IonicContact OE2-NZ 3.75Å; E44-K47 PolarHBondContact OE2-NZ 2.82Å; E44-E48 WeakPolarHBondContact O-CG 3.3Å; E44-E48 PolarHBondContact O-N 3.38Å
45	E	90.8	Very high	82.9	Confident	93 Å²	93	58 Å²	58	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-44.8	173.6	-66.6	171.6	176.8	0	0	111.7	P41 A42 E48 K49 R158	P41-E45 PolarHBondContact O-N 3.15Å; A42-E45 PolarHBondContact O-N 3Å; E45-E48 PolarHBondContact O-N 3.04Å; E45-K49 PolarHBondContact O-N 3.46Å; E45-R158 HydrophobicContact CB-CG 4.15Å; E45-R158 WeakPolarHBondContact OE2-CD 3.42Å; E45-R158 IonicContact OE2-NH1 3.72Å
46	I	93.2	Very high	84.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-45.1	175.8	-72.6	166.6	0	0	0	110.1	A42 E44 E48 K49 M50 K154 L157 R158 Y186 L187	A42-I46 HydrophobicContact CB-CD1 4.48Å; A42-I46 VanDerWaalsContact O-CB 3.25Å; A42-I46 WeakPolarHBondContact O-CB 3.25Å; A42-I46 WeakPolarHBondContact O-CD1 3.41Å; A42-I46 WeakPolarHBondContact O-CG1 3.44Å; A42-I46 PolarHBondContact O-N 3.35Å; E44-I46 PolarHBondContact O-N 3.42Å; I46-E48 VanDerWaalsContact C-N 3.31Å; I46-E48 PolarHBondContact O-N 3.21Å; I46-K49 PolarHBondContact O-N 3.22Å; I46-M50 HydrophobicContact CG2-CG 3.9Å; I46-M50 VanDerWaalsContact O-CB 3.24Å; I46-M50 WeakPolarHBondContact O-CB 3.39Å; I46-M50 WeakPolarHBondContact O-CG 3.49Å; I46-M50 PolarHBondContact O-N 2.87Å; I46-K154 HydrophobicContact CD1-CG 4.14Å; I46-L157 HydrophobicContact CD1-CB 3.81Å; I46-L157 HydrophobicContact CD1-CD1 4.42Å; I46-L157 HydrophobicContact CG1-CB 3.87Å; I46-L157 HydrophobicContact CG2-CB 3.9Å; I46-L157 HydrophobicContact CG2-CD1 4.45Å; I46-R158 HydrophobicContact CD1-CB 4.5Å; I46-R158 HydrophobicContact CG1-CB 3.85Å; I46-Y186 HydrophobicContact CD1-CD1 4.1Å; I46-Y186 HydrophobicContact CD1-CG 4.01Å; I46-L187 HydrophobicContact CG2-CD2 4.27Å
47	K	93.3	Very high	86.6	Confident	68 Å²	68	54.4 Å²	54.4	30%	0.296	29%	0.292	S	S	.	.	H	α-helix	trans	-57.1	-44.1	176.4	175	-166.4	-177.4	-175.2	0	112.2	V43 E44 M50 K51 A189	V43-K47 WeakPolarHBondContact O-CB 3.38Å; V43-K47 PolarHBondContact O-N 3.45Å; E44-K47 WeakPolarHBondContact O-CB 3.39Å; E44-K47 PolarHBondContact O-N 2.54Å; E44-K47 IonicContact OE1-NZ 2.77Å; E44-K47 VanDerWaalsContact OE2-CD 3.3Å; E44-K47 WeakPolarHBondContact OE2-CD 3.46Å; E44-K47 IonicContact OE2-NZ 3.75Å; E44-K47 PolarHBondContact OE2-NZ 2.82Å; K47-M50 PolarHBondContact O-N 3.4Å; K47-K51 PolarHBondContact O-N 3.22Å; K47-A189 HydrophobicContact CB-CB 4.15Å; K47-A189 HydrophobicContact CD-CB 4.04Å; K47-A189 HydrophobicContact CG-CB 4.32Å; K47-A189 WeakPolarHBondContact CG-O 3.39Å
48	E	92.1	Very high	88.6	Confident	98 Å²	98	52.1 Å²	52.1	46%	0.458	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-46.6	175.8	-71.6	-59	129.7	0	0	111.6	E44 E45 I46 M50 K51	E44-E48 WeakPolarHBondContact O-CG 3.3Å; E44-E48 PolarHBondContact O-N 3.38Å; E45-E48 PolarHBondContact O-N 3.04Å; I46-E48 VanDerWaalsContact C-N 3.31Å; I46-E48 PolarHBondContact O-N 3.21Å; E48-M50 VanDerWaalsContact C-N 3.27Å; E48-M50 PolarHBondContact O-N 2.88Å; E48-K51 WeakPolarHBondContact O-CB 3.39Å; E48-K51 PolarHBondContact O-N 3.21Å; E48-K51 WeakPolarHBondContact OE1-CE 3.4Å; E48-K51 IonicContact OE1-NZ 2.86Å; E48-K51 PolarHBondContact OE1-NZ 3.38Å; E48-K51 VanDerWaalsContact OE2-CE 3.31Å; E48-K51 WeakPolarHBondContact OE2-CE 3.23Å; E48-K51 IonicContact OE2-NZ 2.62Å; E48-K51 PolarHBondContact OE2-NZ 3.07Å
49	K	91	Very high	90.4	Very high	72 Å²	72	49.2 Å²	49.2	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-37.9	175.5	-80.8	-75.3	-174.1	171.9	0	112.9	E45 I46 K51 T52 S115 R158	E45-K49 PolarHBondContact O-N 3.46Å; I46-K49 PolarHBondContact O-N 3.22Å; K49-K51 VanDerWaalsContact C-N 3.25Å; K49-K51 PolarHBondContact O-N 3Å; K49-T52 PolarHBondContact O-OG1 2.96Å; K49-S115 PolarHBondContact NZ-O 3.34Å; K49-R158 WeakPolarHBondContact CE-O 3.18Å; K49-R158 WeakPolarHBondContact CG-O 3.37Å
50	M	94.6	Very high	91.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-73.5	-13.3	-178.4	-73.8	-61.6	115.7	0	0	113	I46 K47 E48 T52 V53 R56 L157 L168 L187 A190	I46-M50 HydrophobicContact CG2-CG 3.9Å; I46-M50 VanDerWaalsContact O-CB 3.24Å; I46-M50 WeakPolarHBondContact O-CB 3.39Å; I46-M50 WeakPolarHBondContact O-CG 3.49Å; I46-M50 PolarHBondContact O-N 2.87Å; K47-M50 PolarHBondContact O-N 3.4Å; E48-M50 VanDerWaalsContact C-N 3.27Å; E48-M50 PolarHBondContact O-N 2.88Å; M50-T52 PolarHBondContact O-N 3.03Å; M50-T52 VanDerWaalsContact O-N 3.11Å; M50-V53 WeakPolarHBondContact O-CB 3.28Å; M50-V53 PolarHBondContact O-N 2.85Å; M50-V53 HydrophobicContact SD-CG2 4.1Å; M50-R56 PolarHBondContact O-NH2 2.83Å; M50-L157 HydrophobicContact CE-CD2 4.28Å; M50-L157 WeakPolarHBondContact CE-O 3.39Å; M50-L168 HydrophobicContact CE-CD2 4.45Å; M50-L168 HydrophobicContact SD-CD2 3.95Å; M50-L187 HydrophobicContact CG-CD2 3.87Å; M50-L187 HydrophobicContact SD-CD2 3.91Å; M50-A190 HydrophobicContact CB-CB 3.55Å; M50-A190 HydrophobicContact CG-CB 3.82Å
51	K	93.8	Very high	92.9	Very high	135 Å²	135	41.6 Å²	41.6	59%	0.587	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-28	179.9	-74.7	-179.4	178.2	170	0	114.1	K47 E48 K49 V53	K47-K51 PolarHBondContact O-N 3.22Å; E48-K51 WeakPolarHBondContact O-CB 3.39Å; E48-K51 PolarHBondContact O-N 3.21Å; E48-K51 WeakPolarHBondContact OE1-CE 3.4Å; E48-K51 IonicContact OE1-NZ 2.86Å; E48-K51 PolarHBondContact OE1-NZ 3.38Å; E48-K51 VanDerWaalsContact OE2-CE 3.31Å; E48-K51 WeakPolarHBondContact OE2-CE 3.23Å; E48-K51 IonicContact OE2-NZ 2.62Å; E48-K51 PolarHBondContact OE2-NZ 3.07Å; K49-K51 VanDerWaalsContact C-N 3.25Å; K49-K51 PolarHBondContact O-N 3Å; K51-V53 VanDerWaalsContact C-N 3.26Å
52	T	93.8	Very high	93.3	Very high	55 Å²	55	37.5 Å²	37.5	34%	0.337	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.8	178.3	62.6	0	0	0	0	113	K49 M50 G163 V165	K49-T52 PolarHBondContact O-OG1 2.96Å; M50-T52 PolarHBondContact O-N 3.03Å; M50-T52 VanDerWaalsContact O-N 3.11Å; T52-G163 WeakPolarHBondContact CB-O 3.13Å; T52-G163 PolarHBondContact OG1-O 3.33Å; T52-V165 PolarHBondContact O-N 3.04Å
53	V	96.7	Very high	93.5	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.2	177	-176	0	0	0	0	109.5	M50 K51 R56 W162 V165 L168	M50-V53 WeakPolarHBondContact O-CB 3.28Å; M50-V53 PolarHBondContact O-N 2.85Å; M50-V53 HydrophobicContact SD-CG2 4.1Å; K51-V53 VanDerWaalsContact C-N 3.26Å; V53-R56 HydrophobicContact CB-CG 4.43Å; V53-R56 HydrophobicContact CG1-CG 3.67Å; V53-R56 PolarHBondContact O-NH2 2.91Å; V53-W162 HydrophobicContact CG2-CB 4.39Å; V53-V165 CarbonylContact C-O 3.52Å; V53-V165 WeakPolarHBondContact CA-O 3.34Å; V53-V165 HydrophobicContact CG1-CG1 4.4Å; V53-V165 HydrophobicContact CG2-CB 4.32Å; V53-L168 HydrophobicContact CG1-CB 3.43Å; V53-L168 VanDerWaalsContact CG1-CB 3.43Å; V53-L168 HydrophobicContact CG1-CD2 4.32Å
54	K	96.1	Very high	93.5	Very high	96 Å²	96	41.3 Å²	41.3	42%	0.417	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-49.2	-176.8	-60	-178.8	-166.3	163.6	0	112.5	V165 D166 S312	K54-V165 PolarHBondContact N-O 2.93Å; K54-D166 VanDerWaalsContact CD-OD1 3.24Å; K54-D166 WeakPolarHBondContact CD-OD1 3.35Å; K54-D166 VanDerWaalsContact CE-OD1 3.23Å; K54-D166 WeakPolarHBondContact CE-OD1 3.31Å; K54-D166 IonicContact NZ-OD1 3.4Å; K54-D166 PolarHBondContact NZ-OD1 2.8Å; K54-S312 VanDerWaalsContact O-CB 3.25Å; K54-S312 WeakPolarHBondContact O-CB 3.2Å; K54-S312 PolarHBondContact O-OG 2.94Å
55	H	97.4	Very high	93.5	Very high	22 Å²	22	40 Å²	40	10%	0.102	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.5	-179.5	-60.6	-64.1	0	0	0	111.7	D166 Y167 L168 D193 C307	H55-D166 WeakPolarHBondContact CB-O 3.33Å; H55-D166 PolarHBondContact CD2-O 3.31Å; H55-D166 PolarHBondContact N-O 2.81Å; H55-Y167 HydrophobicContact CB-CD1 3.66Å; H55-Y167 HydrophobicContact CB-CE1 3.89Å; H55-Y167 HydrophobicContact CB-CG 4.48Å; H55-Y167 AromaticContact CD2-CE1 3.56Å; H55-Y167 AromaticContact CD2-CZ 3.82Å; H55-Y167 AromaticContact CG-CE1 3.9Å; H55-L168 PolarHBondContact O-N 2.93Å; H55-D193 VanDerWaalsContact CA-OD2 3.32Å; H55-D193 WeakPolarHBondContact CA-OD2 3.46Å; H55-D193 IonicContact CE1-OD1 3.56Å; H55-D193 IonicContact CG-OD1 3.55Å; H55-D193 IonicContact ND1-OD1 2.9Å; H55-D193 PolarHBondContact ND1-OD1 2.83Å; H55-C307 PolarHBondContact CE1-O 3.26Å
56	R	97.4	Very high	93.6	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.038	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109.3	-179.1	-59.5	176.2	-154.6	91.8	-0.6	108.7	M50 V53 L168 A190 H191 I192 D193	M50-R56 PolarHBondContact O-NH2 2.83Å; V53-R56 HydrophobicContact CB-CG 4.43Å; V53-R56 HydrophobicContact CG1-CG 3.67Å; V53-R56 PolarHBondContact O-NH2 2.91Å; R56-L168 WeakPolarHBondContact CA-O 3.28Å; R56-A190 VanDerWaalsContact CZ-O 3.27Å; R56-A190 PolarHBondContact NH1-O 2.79Å; R56-A190 PolarHBondContact NH2-O 3.39Å; R56-H191 WeakPolarHBondContact CD-O 3.32Å; R56-H191 PolarHBondContact NH1-O 3.03Å; R56-I192 WeakPolarHBondContact O-CG2 3.38Å; R56-D193 PolarHBondContact N-OD2 2.92Å; R56-D193 PolarHBondContact O-N 2.98Å; R56-D193 VanDerWaalsContact O-N 3.16Å
57	I	98.1	Very high	93.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.9	-173.2	-58.6	170.8	0	0	0	108.9	Y167 L168 I169 V170 G194 V196 I224 I303	I57-Y167 HydrophobicContact CD1-CD1 3.88Å; I57-Y167 HydrophobicContact CD1-CE1 4.39Å; I57-L168 PolarHBondContact N-O 2.85Å; I57-I169 WeakPolarHBondContact O-CA 3.3Å; I57-V170 PolarHBondContact O-N 2.78Å; I57-G194 WeakPolarHBondContact CA-O 3.35Å; I57-V196 HydrophobicContact CG2-CG2 3.94Å; I57-I224 HydrophobicContact CD1-CD1 4.45Å; I57-I224 HydrophobicContact CG1-CD1 4.12Å; I57-I224 HydrophobicContact CG2-CD1 3.93Å; I57-I303 HydrophobicContact CD1-CG2 3.6Å
58	L	97.9	Very high	93.8	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.3	174.1	-85.2	57.9	0	0	0	109.6	L60 V170 T172 V183 V184 L187 I192 G194 A195 V196 L221	L58-L60 HydrophobicContact CB-CD2 4.14Å; L58-L60 HydrophobicContact CB-CG 4.47Å; L58-V170 HydrophobicContact CD1-CB 4.28Å; L58-V170 HydrophobicContact CD1-CG2 4.25Å; L58-V170 HydrophobicContact CG-CB 4.32Å; L58-T172 HydrophobicContact CG-CG2 4.38Å; L58-V183 HydrophobicContact CD2-CG1 3.95Å; L58-V184 HydrophobicContact CD2-CG2 3.98Å; L58-L187 HydrophobicContact CD1-CD1 4.21Å; L58-I192 HydrophobicContact CD1-CG2 3.71Å; L58-I192 HydrophobicContact CD2-CD1 4.49Å; L58-G194 PolarHBondContact N-O 2.86Å; L58-A195 HydrophobicContact CB-CB 4.39Å; L58-A195 CarbonylContact O-C 3.54Å; L58-A195 WeakPolarHBondContact O-CA 3.44Å; L58-V196 PolarHBondContact O-N 2.94Å; L58-L221 HydrophobicContact CD2-CD1 4.49Å; L58-L221 HydrophobicContact CD2-CD2 4.1Å
59	V	97.9	Very high	94	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	112.5	172	-168.7	0	0	0	0	108.4	K68 F71 S72 L75 I169 V170 T172 V196 L198	V59-K68 HydrophobicContact CG1-CG 3.85Å; V59-F71 HydrophobicContact CG1-CD1 4.12Å; V59-S72 WeakPolarHBondContact CB-OG 3.42Å; V59-S72 WeakPolarHBondContact CG1-OG 3.45Å; V59-S72 WeakPolarHBondContact CG2-OG 3.45Å; V59-L75 HydrophobicContact CG2-CD2 4.47Å; V59-I169 HydrophobicContact CG2-CG2 3.63Å; V59-V170 PolarHBondContact N-O 2.87Å; V59-T172 PolarHBondContact O-N 3.29Å; V59-T172 PolarHBondContact O-OG1 2.8Å; V59-V196 WeakPolarHBondContact CA-O 3.37Å; V59-L198 HydrophobicContact CG1-CD2 3.52Å; V59-L198 HydrophobicContact CG1-CG 4.35Å
60	L	96.4	Very high	94.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	157.1	-174.9	-52.1	-178.7	0	0	0	110.8	L58 T172 A195 V196 I197 L198 E212 C216 L221	L58-L60 HydrophobicContact CB-CD2 4.14Å; L58-L60 HydrophobicContact CB-CG 4.47Å; L60-T172 HydrophobicContact CD2-CG2 3.58Å; L60-T172 WeakPolarHBondContact CD2-OG1 3.49Å; L60-A195 HydrophobicContact CD1-CB 3.62Å; L60-A195 HydrophobicContact CG-CB 4.03Å; L60-V196 PolarHBondContact N-O 2.84Å; L60-I197 HydrophobicContact CB-CG1 4.38Å; L60-L198 PolarHBondContact O-N 3.19Å; L60-E212 HydrophobicContact CB-CG 3.99Å; L60-E212 HydrophobicContact CD1-CG 4.29Å; L60-C216 VanDerWaalsContact CD1-SG 3.54Å; L60-L221 HydrophobicContact CD1-CD2 4.04Å
61	S	94.3	Very high	94.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	140.3	169.1	63.6	0	0	0	0	110.5	K63 V66 K68 G175	S61-K63 VanDerWaalsContact C-N 3.29Å; S61-K63 PolarHBondContact O-N 2.95Å; S61-K63 PolarHBondContact OG-O 3.34Å; S61-V66 VanDerWaalsContact CB-CG2 3.49Å; S61-K68 WeakPolarHBondContact OG-CD 3.48Å; S61-G175 PolarHBondContact O-N 3.39Å
62	G	88.1	Confident	94.7	Very high	10 Å²	10	21.1 Å²	21.1	10%	0.103	14%	0.143	C	C	.	.	S	Bend	trans	-71.4	-22.3	178.1	0	0	0	0	0	114.2	G175 D208	G62-G175 WeakPolarHBondContact O-CA 3.5Å; G62-D208 WeakPolarHBondContact O-CB 3.35Å
63	K	86.6	Confident	94.9	Very high	52 Å²	52	18.5 Å²	18.5	23%	0.226	13%	0.127	C	C	.	.	S	Bend	trans	-143.1	156.1	-177.5	72	174.6	-177.4	179.9	0	112.4	S61 V66 T200 A205	S61-K63 VanDerWaalsContact C-N 3.29Å; S61-K63 PolarHBondContact O-N 2.95Å; S61-K63 PolarHBondContact OG-O 3.34Å; K63-V66 HydrophobicContact CD-CG1 3.99Å; K63-V66 HydrophobicContact CG-CG1 3.48Å; K63-V66 VanDerWaalsContact CG-CG1 3.48Å; K63-T200 WeakPolarHBondContact CE-OG1 3.25Å; K63-T200 PolarHBondContact NZ-OG1 3.01Å; K63-A205 HydrophobicContact CD-CB 4Å
64	G	87.1	Confident	95	Very high	52 Å²	52	18.5 Å²	18.5	54%	0.536	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	152.7	171.1	0	0	0	0	0	112.5	V66	G64-V66 PolarHBondContact O-N 3.44Å
65	G	87.6	Confident	95.1	Very high	72 Å²	72	14 Å²	14	74%	0.742	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	6.7	173.3	0	0	0	0	0	116.3	G67	G65-G67 PolarHBondContact O-N 3.27Å
66	V	92.7	Very high	95.1	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	10%	0.102	C	C	.	.	S	Bend	trans	-75.3	-3.8	172.1	-62.6	0	0	0	0	113.9	S61 K63 G64 K68 L198 T200 N229	S61-V66 VanDerWaalsContact CB-CG2 3.49Å; K63-V66 HydrophobicContact CD-CG1 3.99Å; K63-V66 HydrophobicContact CG-CG1 3.48Å; K63-V66 VanDerWaalsContact CG-CG1 3.48Å; G64-V66 PolarHBondContact O-N 3.44Å; V66-K68 HydrophobicContact CG2-CB 4.16Å; V66-L198 HydrophobicContact CG2-CB 3.95Å; V66-T200 HydrophobicContact CB-CG2 3.91Å; V66-T200 HydrophobicContact CG1-CG2 3.91Å; V66-N229 PolarHBondContact O-ND2 3Å
67	G	94.3	Very high	95.2	Very high	13 Å²	13	12.8 Å²	12.8	13%	0.134	10%	0.102	C	C	.	.	S	Bend	trans	80	30.1	-174.4	0	0	0	0	0	114	G65 T70 F71	G65-G67 PolarHBondContact O-N 3.27Å; G67-T70 WeakPolarHBondContact O-CB 3.1Å; G67-T70 PolarHBondContact O-N 2.89Å; G67-F71 WeakPolarHBondContact O-CB 3.28Å; G67-F71 PolarHBondContact O-N 3.49Å
68	K	95.9	Very high	95.1	Very high	10 Å²	10	13.2 Å²	13.2	4%	0.043	11%	0.107	C	C	.	.	H	α-helix	trans	-55.5	-57.7	176.9	-179.7	-164.9	42.5	70.8	0	112	V59 S61 V66 T70 F71 S72 D93 D171 T172	V59-K68 HydrophobicContact CG1-CG 3.85Å; S61-K68 WeakPolarHBondContact OG-CD 3.48Å; V66-K68 HydrophobicContact CG2-CB 4.16Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 3.38Å; K68-F71 CarbonylContact O-C 3.58Å; K68-F71 WeakPolarHBondContact O-CA 3.3Å; K68-F71 WeakPolarHBondContact O-CB 3.25Å; K68-F71 PolarHBondContact O-N 3.44Å; K68-S72 PolarHBondContact O-N 2.87Å; K68-S72 PolarHBondContact O-OG 3.25Å; K68-D93 IonicContact NZ-OD2 3.77Å; K68-D171 WeakPolarHBondContact CG-OD1 3.33Å; K68-D171 IonicContact NZ-OD1 3.21Å; K68-D171 PolarHBondContact NZ-OD1 3.38Å; K68-D171 IonicContact NZ-OD2 3.23Å; K68-D171 PolarHBondContact NZ-OD2 2.77Å; K68-D171 VanDerWaalsContact NZ-OD2 3.1Å; K68-T172 WeakPolarHBondContact CD-O 3.47Å; K68-T172 WeakPolarHBondContact CE-O 3.42Å; K68-T172 PolarHBondContact NZ-O 3.34Å
69	S	96.7	Very high	95.2	Very high	13 Å²	13	13.2 Å²	13.2	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-37.2	-179.3	-52.3	0	0	0	0	112.5	S72 A73 S98 I99 D171	S69-S72 PolarHBondContact O-N 3.02Å; S69-A73 WeakPolarHBondContact O-CB 3.45Å; S69-A73 PolarHBondContact O-N 3.49Å; S69-S98 WeakPolarHBondContact CB-OG 3.14Å; S69-S98 PolarHBondContact OG-OG 3.34Å; S69-I99 WeakPolarHBondContact O-CD1 3.43Å; S69-D171 WeakPolarHBondContact CA-OD1 3.43Å; S69-D171 WeakPolarHBondContact CA-OD2 3.39Å; S69-D171 WeakPolarHBondContact CB-OD2 3.2Å; S69-D171 PolarHBondContact OG-OD2 3.2Å
70	T	97.3	Very high	95.2	Very high	32 Å²	32	13.4 Å²	13.4	20%	0.196	11%	0.108	C	C	.	.	H	α-helix	trans	-58.6	-47.8	169.9	-56.3	0	0	0	0	111.2	G67 K68 A73 H74 I273	G67-T70 WeakPolarHBondContact O-CB 3.1Å; G67-T70 PolarHBondContact O-N 2.89Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 3.38Å; T70-A73 PolarHBondContact O-N 2.76Å; T70-H74 PolarHBondContact O-N 3.06Å; T70-H74 PolarHBondContact O-ND1 2.87Å; T70-I273 HydrophobicContact CG2-CG2 3.53Å
71	F	97.9	Very high	95.1	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-43.5	177.1	-179.6	-87.4	0	0	0	111.6	V59 G67 K68 A73 H74 L75 V196 L198 V227 Y296 I299 I303	V59-F71 HydrophobicContact CG1-CD1 4.12Å; G67-F71 WeakPolarHBondContact O-CB 3.28Å; G67-F71 PolarHBondContact O-N 3.49Å; K68-F71 CarbonylContact O-C 3.58Å; K68-F71 WeakPolarHBondContact O-CA 3.3Å; K68-F71 WeakPolarHBondContact O-CB 3.25Å; K68-F71 PolarHBondContact O-N 3.44Å; F71-A73 PolarHBondContact O-N 3.49Å; F71-H74 PolarHBondContact O-N 3.45Å; F71-L75 HydrophobicContact CE1-CB 4.21Å; F71-L75 HydrophobicContact CE1-CD2 4.02Å; F71-L75 VanDerWaalsContact O-CB 3.29Å; F71-L75 WeakPolarHBondContact O-CB 3.32Å; F71-L75 PolarHBondContact O-N 2.88Å; F71-V196 HydrophobicContact CE1-CG1 3.88Å; F71-V196 HydrophobicContact CZ-CG1 4.26Å; F71-L198 HydrophobicContact CB-CD1 3.86Å; F71-L198 HydrophobicContact CB-CG 4.19Å; F71-L198 HydrophobicContact CD1-CD1 4.23Å; F71-L198 HydrophobicContact CD1-CD2 3.77Å; F71-L198 HydrophobicContact CD1-CG 4.29Å; F71-L198 HydrophobicContact CD2-CD1 3.97Å; F71-L198 HydrophobicContact CE1-CD2 4.17Å; F71-L198 HydrophobicContact CG-CD1 3.74Å; F71-L198 HydrophobicContact CG-CD2 4.16Å; F71-L198 HydrophobicContact CG-CG 4.2Å; F71-V227 HydrophobicContact CD2-CG1 4.14Å; F71-V227 HydrophobicContact CE2-CB 4.34Å; F71-V227 HydrophobicContact CE2-CG1 3.84Å; F71-V227 HydrophobicContact CE2-CG2 3.99Å; F71-V227 HydrophobicContact CZ-CG2 3.86Å; F71-Y296 HydrophobicContact CD2-CD1 4.19Å; F71-Y296 AromaticContact CD2-CE1 3.41Å; F71-Y296 HydrophobicContact CD2-CE1 3.41Å; F71-Y296 VanDerWaalsContact CD2-CE1 3.41Å; F71-Y296 HydrophobicContact CE2-CD1 4.07Å; F71-Y296 AromaticContact CE2-CE1 3.77Å; F71-Y296 HydrophobicContact CE2-CE1 3.77Å; F71-Y296 HydrophobicContact CG-CE1 4.28Å; F71-I299 HydrophobicContact CE2-CG2 4.04Å; F71-I299 HydrophobicContact CZ-CG2 3.77Å; F71-I303 HydrophobicContact CZ-CD1 4.45Å
72	S	98.4	Very high	95.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.1	-46.3	177.3	-55.4	0	0	0	0	111.9	V59 K68 S69 L75 A76 D171	V59-S72 WeakPolarHBondContact CB-OG 3.42Å; V59-S72 WeakPolarHBondContact CG1-OG 3.45Å; V59-S72 WeakPolarHBondContact CG2-OG 3.45Å; K68-S72 PolarHBondContact O-N 2.87Å; K68-S72 PolarHBondContact O-OG 3.25Å; S69-S72 PolarHBondContact O-N 3.02Å; S72-L75 PolarHBondContact O-N 3.11Å; S72-A76 WeakPolarHBondContact O-CB 3.38Å; S72-A76 PolarHBondContact O-N 2.93Å; S72-D171 PolarHBondContact OG-OD1 2.88Å
73	A	98.2	Very high	95.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-45.7	175.3	0	0	0	0	0	112.9	S69 T70 F71 A76 H77 L89 I99 I102 M103	S69-A73 WeakPolarHBondContact O-CB 3.45Å; S69-A73 PolarHBondContact O-N 3.49Å; T70-A73 PolarHBondContact O-N 2.76Å; F71-A73 PolarHBondContact O-N 3.49Å; A73-A76 WeakPolarHBondContact O-CB 3.31Å; A73-A76 PolarHBondContact O-N 2.79Å; A73-H77 PolarHBondContact O-CD2 2.65Å; A73-H77 PolarHBondContact O-N 3.32Å; A73-L89 HydrophobicContact CB-CD2 4.48Å; A73-I99 HydrophobicContact CB-CD1 4.3Å; A73-I102 HydrophobicContact CB-CB 4.4Å; A73-I102 HydrophobicContact CB-CG2 3.38Å; A73-M103 HydrophobicContact CB-SD 3.4Å; A73-M103 WeakPolarHBondContact CB-SD 3.4Å
74	H	97.9	Very high	96	Very high	2 Å²	2	28 Å²	28	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-74	-32.2	180	-71.5	90.8	0	0	0	113	T70 F71 A76 G78 F283 F284 Y296	T70-H74 PolarHBondContact O-N 3.06Å; T70-H74 PolarHBondContact O-ND1 2.87Å; F71-H74 PolarHBondContact O-N 3.45Å; H74-A76 VanDerWaalsContact C-N 3.27Å; H74-A76 PolarHBondContact O-N 2.99Å; H74-G78 PolarHBondContact O-N 3.23Å; H74-F283 WeakPolarHBondContact CD2-CB 3.47Å; H74-F283 WeakPolarHBondContact NE2-CB 3.5Å; H74-F284 HydrophobicContact CB-CE2 4.16Å; H74-F284 WeakPolarHBondContact O-CE2 3.42Å; H74-F284 WeakPolarHBondContact O-CZ 3.41Å; H74-Y296 HydrophobicContact CB-CD1 4.11Å; H74-Y296 HydrophobicContact CB-CE1 3.68Å; H74-Y296 HydrophobicContact CB-CE2 4.48Å
75	L	98.6	Very high	96.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.6	-43.4	168.5	174.8	58.6	0	0	0	109.9	V59 F71 S72 G78 L79 I169 I300 I303	V59-L75 HydrophobicContact CG2-CD2 4.47Å; F71-L75 HydrophobicContact CE1-CB 4.21Å; F71-L75 HydrophobicContact CE1-CD2 4.02Å; F71-L75 VanDerWaalsContact O-CB 3.29Å; F71-L75 WeakPolarHBondContact O-CB 3.32Å; F71-L75 PolarHBondContact O-N 2.88Å; S72-L75 PolarHBondContact O-N 3.11Å; L75-G78 PolarHBondContact O-N 3.45Å; L75-L79 HydrophobicContact CD1-CD1 3.83Å; L75-L79 HydrophobicContact CD1-CG 4.16Å; L75-L79 HydrophobicContact CG-CD1 4.09Å; L75-L79 WeakPolarHBondContact O-CB 3.32Å; L75-L79 WeakPolarHBondContact O-CG 3.17Å; L75-L79 PolarHBondContact O-N 2.77Å; L75-I169 HydrophobicContact CB-CD1 4.35Å; L75-I169 HydrophobicContact CD2-CD1 4.25Å; L75-I169 HydrophobicContact CD2-CG1 4.28Å; L75-I169 HydrophobicContact CD2-CG2 4.24Å; L75-I169 HydrophobicContact CG-CD1 3.85Å; L75-I169 HydrophobicContact CG-CG1 4.39Å; L75-I300 HydrophobicContact CD1-CG1 3.74Å; L75-I303 HydrophobicContact CD1-CD1 3.87Å; L75-I303 HydrophobicContact CD2-CD1 4.26Å
76	A	98.5	Very high	97	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-51.4	178.5	0	0	0	0	0	112.4	S72 A73 H74 G78 L79 A80 V87 L89 L126 I169	S72-A76 WeakPolarHBondContact O-CB 3.38Å; S72-A76 PolarHBondContact O-N 2.93Å; A73-A76 WeakPolarHBondContact O-CB 3.31Å; A73-A76 PolarHBondContact O-N 2.79Å; H74-A76 VanDerWaalsContact C-N 3.27Å; H74-A76 PolarHBondContact O-N 2.99Å; A76-G78 VanDerWaalsContact C-N 3.32Å; A76-G78 PolarHBondContact O-N 3.09Å; A76-L79 PolarHBondContact O-N 2.68Å; A76-A80 WeakPolarHBondContact O-CB 3.15Å; A76-A80 PolarHBondContact O-N 3.36Å; A76-V87 HydrophobicContact CB-CG1 4.02Å; A76-L89 HydrophobicContact CB-CB 4.25Å; A76-L89 HydrophobicContact CB-CD2 4.26Å; A76-L126 HydrophobicContact CB-CD1 3.81Å; A76-I169 HydrophobicContact CB-CD1 3.5Å
77	H	98.1	Very high	97.3	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-58.7	-42.1	174.9	-83.9	-64.7	0	0	0	112.8	A73 A80 E81 M103 E123 F284	A73-H77 PolarHBondContact O-CD2 2.65Å; A73-H77 PolarHBondContact O-N 3.32Å; H77-A80 CarbonylContact O-C 3.5Å; H77-A80 PolarHBondContact O-N 3.18Å; H77-E81 PolarHBondContact O-N 3.41Å; H77-M103 VanDerWaalsContact NE2-CE 3.32Å; H77-M103 WeakPolarHBondContact NE2-CE 3.38Å; H77-E123 IonicContact CE1-OE1 2.77Å; H77-E123 IonicContact ND1-OE1 3.43Å; H77-E123 PolarHBondContact ND1-OE1 2.84Å; H77-F284 HydrophobicContact CB-CD2 4.13Å; H77-F284 HydrophobicContact CB-CE2 4.18Å
78	G	97.8	Very high	97.5	Very high	9 Å²	9	25.6 Å²	25.6	9%	0.093	15%	0.15	C	C	.	.	H	α-helix	trans	-69.2	-32.9	-178.1	0	0	0	0	0	113.4	H74 L75 A76	H74-G78 PolarHBondContact O-N 3.23Å; L75-G78 PolarHBondContact O-N 3.45Å; A76-G78 VanDerWaalsContact C-N 3.32Å; A76-G78 PolarHBondContact O-N 3.09Å
79	L	98.2	Very high	97.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-71.4	-35.4	170.3	-73.3	167.4	0	0	0	111.6	L75 A76 E81 V87 Y167 I169 I300 Q304	L75-L79 HydrophobicContact CD1-CD1 3.83Å; L75-L79 HydrophobicContact CD1-CG 4.16Å; L75-L79 HydrophobicContact CG-CD1 4.09Å; L75-L79 WeakPolarHBondContact O-CB 3.32Å; L75-L79 WeakPolarHBondContact O-CG 3.17Å; L75-L79 PolarHBondContact O-N 2.77Å; A76-L79 PolarHBondContact O-N 2.68Å; L79-E81 VanDerWaalsContact C-N 3.29Å; L79-E81 PolarHBondContact O-N 3.16Å; L79-V87 HydrophobicContact CB-CG2 3.73Å; L79-Y167 HydrophobicContact CD1-CD1 4.18Å; L79-Y167 HydrophobicContact CD1-CD2 4.23Å; L79-Y167 HydrophobicContact CD1-CG 3.87Å; L79-Y167 HydrophobicContact CD2-CD2 4.17Å; L79-Y167 HydrophobicContact CD2-CE2 4.08Å; L79-Y167 HydrophobicContact CD2-CG 4.47Å; L79-I169 HydrophobicContact CD1-CD1 4.07Å; L79-I300 HydrophobicContact CD2-CG2 3.68Å; L79-I300 HydrophobicContact CG-CG2 4.03Å; L79-Q304 HydrophobicContact CD2-CG 3.62Å
80	A	97.9	Very high	97.7	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-76.5	-8.7	178.8	0	0	0	0	0	114.2	A76 H77 D82 V87 N125 L126	A76-A80 WeakPolarHBondContact O-CB 3.15Å; A76-A80 PolarHBondContact O-N 3.36Å; H77-A80 CarbonylContact O-C 3.5Å; H77-A80 PolarHBondContact O-N 3.18Å; A80-D82 CarbonylContact O-C 3.45Å; A80-D82 PolarHBondContact O-N 2.98Å; A80-D82 VanDerWaalsContact O-N 3.14Å; A80-V87 HydrophobicContact CB-CB 4.46Å; A80-V87 HydrophobicContact CB-CG2 4.1Å; A80-N125 PolarHBondContact O-ND2 3.05Å; A80-L126 HydrophobicContact CB-CB 4.1Å; A80-L126 HydrophobicContact CB-CD2 4.19Å
81	E	95.9	Very high	97.6	Very high	93 Å²	93	23 Å²	23	44%	0.435	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26	171.4	-71.8	-164.5	109.8	0	0	111.6	H77 L79 R297	H77-E81 PolarHBondContact O-N 3.41Å; L79-E81 VanDerWaalsContact C-N 3.29Å; L79-E81 PolarHBondContact O-N 3.16Å; E81-R297 IonicContact OE1-CZ 3.73Å; E81-R297 IonicContact OE1-NE 3.92Å; E81-R297 IonicContact OE1-NH2 2.74Å; E81-R297 PolarHBondContact OE1-NH2 2.9Å; E81-R297 IonicContact OE2-CZ 3.56Å; E81-R297 IonicContact OE2-NE 3.03Å; E81-R297 PolarHBondContact OE2-NE 3.25Å; E81-R297 IonicContact OE2-NH2 3.28Å; E81-R297 PolarHBondContact OE2-NH2 3.46Å
82	D	95.8	Very high	97.3	Very high	78 Å²	78	23 Å²	23	42%	0.417	13%	0.134	S	C	.	.	S	Bend	trans	-86.6	109.7	166.5	-177.4	4	0	0	0	110.3	A80 D84 T85 N125	A80-D82 CarbonylContact O-C 3.45Å; A80-D82 PolarHBondContact O-N 2.98Å; A80-D82 VanDerWaalsContact O-N 3.14Å; D82-D84 PolarHBondContact O-N 2.93Å; D82-D84 VanDerWaalsContact O-N 3.15Å; D82-D84 PolarHBondContact OD1-N 3.02Å; D82-D84 VanDerWaalsContact OD1-N 3.14Å; D82-T85 WeakPolarHBondContact O-CB 3.32Å; D82-T85 PolarHBondContact O-N 2.89Å; D82-T85 PolarHBondContact OD2-OG1 3.19Å; D82-T85 VanDerWaalsContact OD2-OG1 3.14Å; D82-N125 PolarHBondContact O-ND2 3.43Å
83	G	94.5	Very high	96.8	Very high	55 Å²	55	23.9 Å²	23.9	57%	0.567	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18	-177.8	0	0	0	0	0	114.8	T85	G83-T85 VanDerWaalsContact C-N 3.35Å
84	D	96.3	Very high	95.9	Very high	145 Å²	145	24 Å²	24	78%	0.775	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.6	174.5	-69.6	-34.8	0	0	0	112.5	D82	D82-D84 PolarHBondContact O-N 2.93Å; D82-D84 VanDerWaalsContact O-N 3.15Å; D82-D84 PolarHBondContact OD1-N 3.02Å; D82-D84 VanDerWaalsContact OD1-N 3.14Å
85	T	97.9	Very high	94.9	Very high	15 Å²	15	27.5 Å²	27.5	9%	0.092	16%	0.164	C	C	.	.			trans	-92.6	118.2	179.4	-64.4	0	0	0	0	110.4	D82 G83 V87 N125 D166 Y167	D82-T85 WeakPolarHBondContact O-CB 3.32Å; D82-T85 PolarHBondContact O-N 2.89Å; D82-T85 PolarHBondContact OD2-OG1 3.19Å; D82-T85 VanDerWaalsContact OD2-OG1 3.14Å; G83-T85 VanDerWaalsContact C-N 3.35Å; T85-V87 HydrophobicContact CG2-CG2 3.86Å; T85-N125 PolarHBondContact O-ND2 3.34Å; T85-D166 HydrophobicContact CG2-CB 3.91Å; T85-Y167 HydrophobicContact CG2-CD2 3.69Å; T85-Y167 HydrophobicContact CG2-CE2 3.89Å
86	Q	98.5	Very high	94	Very high	65 Å²	65	29.4 Å²	29.4	30%	0.304	18%	0.183	S	C	.	.			trans	-87.6	120.9	175.5	-62.1	-59.5	-57.1	0	0	110.7	D164 D166 Y167	Q86-D164 VanDerWaalsContact CB-O 3.31Å; Q86-D164 WeakPolarHBondContact CB-O 3.24Å; Q86-D166 PolarHBondContact N-OD2 3.47Å; Q86-D166 WeakPolarHBondContact O-CA 3.43Å; Q86-D166 WeakPolarHBondContact O-CB 3.05Å; Q86-D166 PolarHBondContact O-N 3.13Å; Q86-Y167 PolarHBondContact O-N 3.42Å
87	V	98.6	Very high	93.2	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.03	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.8	-174.3	-173.8	0	0	0	0	110.6	A76 L79 A80 T85 N125 L126 G127 I169	A76-V87 HydrophobicContact CB-CG1 4.02Å; L79-V87 HydrophobicContact CB-CG2 3.73Å; A80-V87 HydrophobicContact CB-CB 4.46Å; A80-V87 HydrophobicContact CB-CG2 4.1Å; T85-V87 HydrophobicContact CG2-CG2 3.86Å; V87-N125 PolarHBondContact N-O 3.3Å; V87-L126 HydrophobicContact CB-CD1 3.92Å; V87-L126 HydrophobicContact CG1-CD1 3.82Å; V87-L126 WeakPolarHBondContact O-CA 3.43Å; V87-G127 PolarHBondContact O-N 3.42Å; V87-I169 HydrophobicContact CG1-CD1 3.95Å
88	A	98.5	Very high	92.9	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.5	172.9	0	0	0	0	0	110.6	G127 W162 V165 Y167 L168 I169	A88-G127 CarbonylContact C-O 3.55Å; A88-G127 VanDerWaalsContact CA-O 3.3Å; A88-G127 WeakPolarHBondContact CA-O 3.48Å; A88-W162 HydrophobicContact CB-CE3 3.56Å; A88-W162 HydrophobicContact CB-CZ3 3.65Å; A88-V165 HydrophobicContact CB-CG1 3.82Å; A88-V165 HydrophobicContact CB-CG2 4.17Å; A88-Y167 PolarHBondContact N-O 2.81Å; A88-L168 HydrophobicContact CB-CD1 3.71Å; A88-L168 WeakPolarHBondContact O-CA 3.11Å; A88-I169 PolarHBondContact O-N 2.8Å
89	L	98.6	Very high	92.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.5	173.4	177.4	59.7	0	0	0	109.9	A73 A76 I99 M103 G127 V128 M129 I169 D171	A73-L89 HydrophobicContact CB-CD2 4.48Å; A76-L89 HydrophobicContact CB-CB 4.25Å; A76-L89 HydrophobicContact CB-CD2 4.26Å; L89-I99 HydrophobicContact CD2-CD1 4.05Å; L89-I99 HydrophobicContact CD2-CG1 4.39Å; L89-I99 HydrophobicContact CD2-CG2 3.6Å; L89-I99 HydrophobicContact CG-CG2 4.13Å; L89-M103 HydrophobicContact CD2-CE 4.46Å; L89-M103 HydrophobicContact CD2-CG 4.35Å; L89-M103 HydrophobicContact CD2-SD 4.1Å; L89-G127 PolarHBondContact N-O 3.18Å; L89-V128 HydrophobicContact CB-CG2 4.34Å; L89-V128 CarbonylContact O-C 3.59Å; L89-V128 WeakPolarHBondContact O-CA 3.45Å; L89-M129 PolarHBondContact O-N 2.67Å; L89-I169 WeakPolarHBondContact CA-O 3.28Å; L89-I169 HydrophobicContact CD1-CB 3.95Å; L89-I169 HydrophobicContact CD1-CG2 3.82Å; L89-D171 HydrophobicContact CD1-CB 4.44Å
90	L	97.8	Very high	92.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.1	176.2	176.6	59.8	0	0	0	110.2	I92 M129 F156 L157 W162 L168 I169 V170 D171	L90-I92 HydrophobicContact CD1-CG2 4.21Å; L90-I92 HydrophobicContact CD2-CG2 3.98Å; L90-I92 HydrophobicContact CG-CG2 3.78Å; L90-M129 WeakPolarHBondContact CA-O 3.42Å; L90-M129 HydrophobicContact CD1-CB 3.94Å; L90-M129 HydrophobicContact CD1-CG 4.05Å; L90-F156 HydrophobicContact CD1-CB 3.71Å; L90-F156 HydrophobicContact CD1-CD1 4.4Å; L90-F156 HydrophobicContact CD1-CD2 3.87Å; L90-F156 HydrophobicContact CD1-CG 3.77Å; L90-F156 HydrophobicContact CD2-CB 4.25Å; L90-L157 HydrophobicContact CD2-CD2 3.87Å; L90-W162 HydrophobicContact CB-CH2 3.83Å; L90-W162 HydrophobicContact CB-CZ2 4.31Å; L90-W162 HydrophobicContact CD1-CH2 4.03Å; L90-W162 HydrophobicContact CD1-CZ2 4.18Å; L90-W162 HydrophobicContact CD2-CZ2 4.18Å; L90-W162 HydrophobicContact CG-CH2 4.31Å; L90-W162 HydrophobicContact CG-CZ2 4.44Å; L90-L168 HydrophobicContact CB-CD1 4.04Å; L90-I169 PolarHBondContact N-O 2.81Å; L90-V170 HydrophobicContact CB-CG2 4.46Å; L90-V170 HydrophobicContact CD2-CG1 4.35Å; L90-V170 HydrophobicContact CD2-CG2 4.41Å; L90-V170 HydrophobicContact CG-CG1 4.47Å; L90-V170 CarbonylContact O-C 3.44Å; L90-V170 WeakPolarHBondContact O-CA 3.49Å; L90-D171 PolarHBondContact O-N 3.09Å
91	D	95.3	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.3	173.8	178	14.2	0	0	0	110.7	D93 P97 I99 M129 S130	D91-D93 PolarHBondContact OD1-N 2.84Å; D91-P97 WeakPolarHBondContact OD2-CA 3.35Å; D91-P97 WeakPolarHBondContact OD2-CB 3.37Å; D91-I99 HydrophobicContact CB-CB 3.87Å; D91-I99 HydrophobicContact CB-CG1 3.72Å; D91-I99 HydrophobicContact CB-CG2 4.4Å; D91-M129 PolarHBondContact N-O 3.49Å; D91-S130 PolarHBondContact OD2-OG 2.81Å
92	I	91.6	Very high	92.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.206	C	C	.	.			trans	-109	12.8	174.1	68.4	169.4	0	0	0	112.5	L90 I94 I153 F156 V170 D171 T172 V183	L90-I92 HydrophobicContact CD1-CG2 4.21Å; L90-I92 HydrophobicContact CD2-CG2 3.98Å; L90-I92 HydrophobicContact CG-CG2 3.78Å; I92-I94 PolarHBondContact O-N 2.67Å; I92-I153 HydrophobicContact CB-CG1 4.2Å; I92-I153 HydrophobicContact CD1-CD1 4.26Å; I92-I153 HydrophobicContact CD1-CG1 4.47Å; I92-I153 HydrophobicContact CG2-CG1 4.26Å; I92-F156 HydrophobicContact CG2-CD2 4.35Å; I92-V170 HydrophobicContact CD1-CG1 3.83Å; I92-V170 HydrophobicContact CG1-CG1 3.96Å; I92-V170 HydrophobicContact CG2-CG1 4.27Å; I92-D171 VanDerWaalsContact CG1-O 3.26Å; I92-D171 WeakPolarHBondContact CG1-O 3.41Å; I92-D171 PolarHBondContact N-O 3.28Å; I92-T172 HydrophobicContact CD1-CG2 4.17Å; I92-V183 HydrophobicContact CD1-CB 3.89Å; I92-V183 HydrophobicContact CD1-CG1 4.01Å; I92-V183 HydrophobicContact CD1-CG2 4.15Å
93	D	88.3	Confident	92.6	Very high	20 Å²	20	29.7 Å²	29.7	11%	0.107	19%	0.186	C	C	.	.			trans	-78	71.1	171.8	-164.6	-8.1	0	0	0	110.6	K68 D91 C95 G96 P173 P174	K68-D93 IonicContact NZ-OD2 3.77Å; D91-D93 PolarHBondContact OD1-N 2.84Å; D93-C95 PolarHBondContact O-N 2.59Å; D93-C95 VanDerWaalsContact O-N 3.07Å; D93-G96 CarbonylContact O-C 3.41Å; D93-G96 PolarHBondContact O-N 3.44Å; D93-G96 VanDerWaalsContact O-N 3.13Å; D93-P173 HydrophobicContact CB-CB 4.48Å; D93-P174 WeakPolarHBondContact OD2-CD 3.33Å
94	I	80.5	Confident	92.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.2	-167.3	-67.6	164.8	0	0	0	113.2	I92 V131 V142 W144 K149 M152 I153	I92-I94 PolarHBondContact O-N 2.67Å; I94-V131 HydrophobicContact CB-CG1 4.36Å; I94-V131 HydrophobicContact CG1-CB 4.38Å; I94-V131 HydrophobicContact CG1-CG1 4.36Å; I94-V131 HydrophobicContact CG2-CG1 4.41Å; I94-V131 HydrophobicContact CG2-CG2 4.35Å; I94-V142 HydrophobicContact CG2-CG1 3.61Å; I94-V142 WeakPolarHBondContact O-CB 3.38Å; I94-V142 WeakPolarHBondContact O-CG1 3.3Å; I94-W144 HydrophobicContact CG2-CD2 4.25Å; I94-W144 HydrophobicContact CG2-CE3 3.69Å; I94-W144 HydrophobicContact CG2-CZ3 4.1Å; I94-K149 HydrophobicContact CD1-CB 3.75Å; I94-K149 HydrophobicContact CD1-CG 4.01Å; I94-K149 HydrophobicContact CG2-CG 4.24Å; I94-M152 HydrophobicContact CD1-CB 4.17Å; I94-M152 HydrophobicContact CD1-CG 4.42Å; I94-I153 HydrophobicContact CD1-CG1 4.39Å
95	C	76.3	Confident	92.7	Very high	77 Å²	77	23 Å²	23	52%	0.52	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-18.6	-176.4	-71.4	0	0	0	0	113.9	D93 K149	D93-C95 PolarHBondContact O-N 2.59Å; D93-C95 VanDerWaalsContact O-N 3.07Å; C95-K149 PolarHBondContact SG-NZ 2.87Å
96	G	79.8	Confident	92.3	Very high	39 Å²	39	27.8 Å²	27.8	40%	0.402	17%	0.17	S	C	.	.	S	Bend	trans	-156.6	59.4	-174.6	0	0	0	0	0	111.3	D93 S98	D93-G96 CarbonylContact O-C 3.41Å; D93-G96 PolarHBondContact O-N 3.44Å; D93-G96 VanDerWaalsContact O-N 3.13Å; G96-S98 PolarHBondContact O-N 2.7Å; G96-S98 VanDerWaalsContact O-N 3.1Å
97	P	81.3	Confident	91.8	Very high	37 Å²	37	28 Å²	28	24%	0.24	19%	0.19	C	C	.	.			trans	-61	117.8	-177.9	27.1	-34.7	0	0	0	109.1	D91 V131 L135	D91-P97 WeakPolarHBondContact OD2-CA 3.35Å; D91-P97 WeakPolarHBondContact OD2-CB 3.37Å; P97-V131 HydrophobicContact CB-CG1 3.91Å; P97-V131 HydrophobicContact CG-CG1 3.91Å; P97-L135 HydrophobicContact CG-CD1 4.33Å
98	S	91.3	Very high	91.6	Very high	39 Å²	39	32.8 Å²	32.8	27%	0.273	21%	0.212	S	C	.	.			trans	-112.9	-15.4	179.9	59.3	0	0	0	0	112.6	S69 G96 K101 I102	S69-S98 WeakPolarHBondContact CB-OG 3.14Å; S69-S98 PolarHBondContact OG-OG 3.34Å; G96-S98 PolarHBondContact O-N 2.7Å; G96-S98 VanDerWaalsContact O-N 3.1Å; S98-K101 PolarHBondContact O-N 2.96Å; S98-I102 VanDerWaalsContact O-CG1 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.46Å; S98-I102 PolarHBondContact O-N 3.45Å
99	I	96.4	Very high	91.1	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-45	-177.1	-65.2	-53.9	0	0	0	112.6	S69 A73 L89 D91 K101 I102 M103 V128 D171	S69-I99 WeakPolarHBondContact O-CD1 3.43Å; A73-I99 HydrophobicContact CB-CD1 4.3Å; L89-I99 HydrophobicContact CD2-CD1 4.05Å; L89-I99 HydrophobicContact CD2-CG1 4.39Å; L89-I99 HydrophobicContact CD2-CG2 3.6Å; L89-I99 HydrophobicContact CG-CG2 4.13Å; D91-I99 HydrophobicContact CB-CB 3.87Å; D91-I99 HydrophobicContact CB-CG1 3.72Å; D91-I99 HydrophobicContact CB-CG2 4.4Å; I99-K101 VanDerWaalsContact C-N 3.25Å; I99-K101 PolarHBondContact O-N 3.22Å; I99-I102 HydrophobicContact CD1-CD1 4.47Å; I99-I102 PolarHBondContact O-N 2.78Å; I99-M103 HydrophobicContact CG2-CG 3.7Å; I99-M103 WeakPolarHBondContact O-CB 3.48Å; I99-M103 WeakPolarHBondContact O-CG 3.43Å; I99-M103 PolarHBondContact O-N 3.09Å; I99-V128 HydrophobicContact CG2-CG1 3.55Å; I99-D171 HydrophobicContact CG1-CB 4.44Å
100	P	95	Very high	90.7	Very high	12 Å²	12	40.2 Å²	40.2	8%	0.078	25%	0.247	C	C	.	.	H	α-helix	trans	-53.5	-42.4	177.4	-30.1	37.8	0	0	0	113.2	G104 L105 S130 F133	P100-G104 PolarHBondContact O-N 3.22Å; P100-L105 CarbonylContact O-C 3.57Å; P100-L105 WeakPolarHBondContact O-CA 3.22Å; P100-L105 PolarHBondContact O-N 3.11Å; P100-S130 WeakPolarHBondContact CD-OG 3.41Å; P100-F133 HydrophobicContact CB-CD1 4.36Å; P100-F133 HydrophobicContact CB-CE1 3.72Å; P100-F133 HydrophobicContact CB-CZ 4.37Å; P100-F133 HydrophobicContact CG-CD1 4.19Å; P100-F133 HydrophobicContact CG-CE1 3.76Å; P100-F133 HydrophobicContact CG-CZ 4.15Å
101	K	94.6	Very high	90.3	Very high	92 Å²	92	46.9 Å²	46.9	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-67.6	-51.2	175.9	-178.8	169.9	179	174.4	0	112.8	S98 I99 M103 G104 E106	S98-K101 PolarHBondContact O-N 2.96Å; I99-K101 VanDerWaalsContact C-N 3.25Å; I99-K101 PolarHBondContact O-N 3.22Å; K101-M103 PolarHBondContact O-N 2.91Å; K101-G104 PolarHBondContact O-N 2.92Å; K101-G104 VanDerWaalsContact O-N 3.09Å; K101-E106 HydrophobicContact CB-CG 3.98Å; K101-E106 HydrophobicContact CG-CG 4.45Å
102	I	96.7	Very high	90.1	Very high	16 Å²	16	54.7 Å²	54.7	8%	0.082	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-33.7	-177.3	-65.8	165.3	0	0	0	111.5	A73 S98 I99 C277 G280	A73-I102 HydrophobicContact CB-CB 4.4Å; A73-I102 HydrophobicContact CB-CG2 3.38Å; S98-I102 VanDerWaalsContact O-CG1 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.46Å; S98-I102 PolarHBondContact O-N 3.45Å; I99-I102 HydrophobicContact CD1-CD1 4.47Å; I99-I102 PolarHBondContact O-N 2.78Å; I102-C277 HydrophobicContact CG1-CB 4.13Å; I102-C277 HydrophobicContact CG2-CB 4.22Å; I102-G280 WeakPolarHBondContact O-CA 3.14Å
103	M	97.4	Very high	89.8	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-0.8	-178.7	-56.1	-59.2	-69.4	0	0	113.8	A73 H77 L89 I99 K101 L105 V122 L126 V128	A73-M103 HydrophobicContact CB-SD 3.4Å; A73-M103 WeakPolarHBondContact CB-SD 3.4Å; H77-M103 VanDerWaalsContact NE2-CE 3.32Å; H77-M103 WeakPolarHBondContact NE2-CE 3.38Å; L89-M103 HydrophobicContact CD2-CE 4.46Å; L89-M103 HydrophobicContact CD2-CG 4.35Å; L89-M103 HydrophobicContact CD2-SD 4.1Å; I99-M103 HydrophobicContact CG2-CG 3.7Å; I99-M103 WeakPolarHBondContact O-CB 3.48Å; I99-M103 WeakPolarHBondContact O-CG 3.43Å; I99-M103 PolarHBondContact O-N 3.09Å; K101-M103 PolarHBondContact O-N 2.91Å; M103-L105 HydrophobicContact CB-CD1 4.21Å; M103-L105 HydrophobicContact CB-CG 4.19Å; M103-V122 HydrophobicContact CB-CG2 3.9Å; M103-V122 HydrophobicContact CE-CB 4.48Å; M103-V122 HydrophobicContact CE-CG1 4.46Å; M103-V122 HydrophobicContact CE-CG2 3.81Å; M103-L126 HydrophobicContact CE-CD2 3.69Å; M103-L126 HydrophobicContact CE-CG 4.27Å; M103-V128 HydrophobicContact CE-CG2 4.2Å; M103-V128 HydrophobicContact CG-CG2 4.23Å
104	G	96	Very high	89.6	Confident	47 Å²	47	60.5 Å²	60.5	49%	0.485	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	26.4	179.1	0	0	0	0	0	115.3	P100 K101 G280	P100-G104 PolarHBondContact O-N 3.22Å; K101-G104 PolarHBondContact O-N 2.92Å; K101-G104 VanDerWaalsContact O-N 3.09Å; G104-G280 VanDerWaalsContact CA-CA 3.44Å; G104-G280 VanDerWaalsContact N-CA 3.29Å
105	L	95.6	Very high	89.8	Confident	13 Å²	13	63.4 Å²	63.4	7%	0.068	39%	0.393	C	S	.	.			trans	-110.1	23.1	-176.8	-57.9	178.5	0	0	0	112.6	P100 M103 G107 E108 V120 V122 V128 F133	P100-L105 CarbonylContact O-C 3.57Å; P100-L105 WeakPolarHBondContact O-CA 3.22Å; P100-L105 PolarHBondContact O-N 3.11Å; M103-L105 HydrophobicContact CB-CD1 4.21Å; M103-L105 HydrophobicContact CB-CG 4.19Å; L105-G107 PolarHBondContact O-N 3Å; L105-E108 HydrophobicContact CB-CB 4.45Å; L105-E108 HydrophobicContact CB-CG 4.21Å; L105-E108 HydrophobicContact CD2-CG 4.36Å; L105-E108 WeakPolarHBondContact O-CB 3.46Å; L105-E108 PolarHBondContact O-N 3.29Å; L105-V120 HydrophobicContact CB-CG1 4.43Å; L105-V120 HydrophobicContact CD1-CB 4.14Å; L105-V120 HydrophobicContact CD1-CG1 3.81Å; L105-V120 HydrophobicContact CD2-CG1 3.83Å; L105-V120 HydrophobicContact CG-CG1 4.24Å; L105-V122 HydrophobicContact CD1-CG2 3.6Å; L105-V122 HydrophobicContact CD2-CG2 4.14Å; L105-V122 HydrophobicContact CG-CG2 3.98Å; L105-V128 HydrophobicContact CD1-CB 3.76Å; L105-V128 HydrophobicContact CD1-CG1 4.21Å; L105-V128 HydrophobicContact CD1-CG2 3.91Å; L105-F133 HydrophobicContact CB-CE1 3.83Å; L105-F133 HydrophobicContact CB-CZ 4.02Å; L105-F133 HydrophobicContact CD1-CE1 4.44Å; L105-F133 HydrophobicContact CD1-CZ 3.79Å
106	E	90.5	Very high	90.5	Very high	115 Å²	115	60.5 Å²	60.5	54%	0.537	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	129.9	175.8	-74.2	-178.3	126.2	0	0	110.9	K101 E108	K101-E106 HydrophobicContact CB-CG 3.98Å; K101-E106 HydrophobicContact CG-CG 4.45Å; E106-E108 VanDerWaalsContact C-N 3.32Å
107	G	88.4	Confident	91.2	Very high	70 Å²	70	60 Å²	60	72%	0.722	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-8.8	-178.8	0	0	0	0	0	114.6	L105	L105-G107 PolarHBondContact O-N 3Å
108	E	92.8	Very high	91.8	Very high	105 Å²	105	60.2 Å²	60.2	49%	0.491	36%	0.364	S	S	.	.			trans	-70.2	152.5	171.5	-66.1	-60.4	146.1	0	0	111.5	L105 E106 V120 F133	L105-E108 HydrophobicContact CB-CB 4.45Å; L105-E108 HydrophobicContact CB-CG 4.21Å; L105-E108 HydrophobicContact CD2-CG 4.36Å; L105-E108 WeakPolarHBondContact O-CB 3.46Å; L105-E108 PolarHBondContact O-N 3.29Å; E106-E108 VanDerWaalsContact C-N 3.32Å; E108-V120 HydrophobicContact CB-CG1 3.74Å; E108-V120 HydrophobicContact CB-CG2 4.37Å; E108-V120 HydrophobicContact CG-CG1 3.86Å; E108-F133 HydrophobicContact CB-CD1 4.4Å; E108-F133 HydrophobicContact CB-CE1 4.32Å
109	Q	88.3	Confident	92	Very high	135 Å²	135	58.9 Å²	58.9	63%	0.631	35%	0.354	S	S	*	.			trans	-128.2	147	-179.5	-66	-172.6	-6.3	0	0	111	H111	Q109-H111 PolarHBondContact O-N 3.25Å
110	V	90.6	Very high	92.1	Very high	24 Å²	24	59.6 Å²	59.6	15%	0.145	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-66.2	126.1	174.9	-178.2	0	0	0	0	109.7	W117 M129 F133 L134	V110-W117 HydrophobicContact CG1-CB 3.6Å; V110-W117 HydrophobicContact CG1-CD2 4.13Å; V110-W117 HydrophobicContact CG1-CG 3.69Å; V110-M129 HydrophobicContact CG1-CE 3.92Å; V110-M129 HydrophobicContact CG1-SD 4.39Å; V110-M129 HydrophobicContact CG2-CE 4.02Å; V110-M129 HydrophobicContact CG2-SD 3.6Å; V110-M129 VanDerWaalsContact CG2-SD 3.6Å; V110-F133 HydrophobicContact CG2-CB 3.5Å; V110-F133 VanDerWaalsContact CG2-CB 3.5Å; V110-F133 HydrophobicContact CG2-CD2 4.12Å; V110-F133 HydrophobicContact CG2-CG 4.28Å; V110-L134 HydrophobicContact CB-CD2 4.04Å; V110-L134 HydrophobicContact CG2-CD2 3.7Å; V110-L134 HydrophobicContact CG2-CG 4.4Å
111	H	89.9	Confident	92.1	Very high	141 Å²	141	64.5 Å²	64.5	65%	0.653	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.5	170.4	-89.1	-143.9	0	0	0	110.7	Q109 S118	Q109-H111 PolarHBondContact O-N 3.25Å; H111-S118 PolarHBondContact O-N 2.85Å
112	Q	89.9	Confident	92.2	Very high	163 Å²	163	62.1 Å²	62.1	76%	0.762	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.7	171.6	-173.7	167.4	9.9	0	0	110
113	S	87.2	Confident	92.1	Very high	47 Å²	47	65.1 Å²	65.1	33%	0.329	38%	0.383	S	S	.	.			trans	-107.8	-179.5	176.3	82.5	0	0	0	0	110.9	S115 G116	S113-S115 PolarHBondContact O-N 3.19Å; S113-S115 PolarHBondContact OG-N 3.36Å; S113-S115 VanDerWaalsContact OG-N 3.12Å; S113-S115 PolarHBondContact OG-OG 2.65Å; S113-G116 PolarHBondContact N-O 3.25Å; S113-G116 PolarHBondContact OG-N 2.69Å; S113-G116 PolarHBondContact OG-O 3.11Å; S113-G116 VanDerWaalsContact OG-O 3.13Å
114	G	83.3	Confident	92.1	Very high	95 Å²	95	72.8 Å²	72.8	98%	0.979	42%	0.424	S	S	*	.	S	Bend	trans	-68.8	-19.4	172.6	0	0	0	0	0	114.2
115	S	84	Confident	92.1	Very high	63 Å²	63	71.1 Å²	71.1	44%	0.441	40%	0.404	S	S	.	.	S	Bend	trans	-97.2	-14.1	-179.6	55.8	0	0	0	0	113.8	K49 S113 D161	K49-S115 PolarHBondContact NZ-O 3.34Å; S113-S115 PolarHBondContact O-N 3.19Å; S113-S115 PolarHBondContact OG-N 3.36Å; S113-S115 VanDerWaalsContact OG-N 3.12Å; S113-S115 PolarHBondContact OG-OG 2.65Å; S115-D161 WeakPolarHBondContact CB-OD2 3.16Å; S115-D161 PolarHBondContact OG-OD2 3.46Å
116	G	91.1	Very high	92.3	Very high	15 Å²	15	70.5 Å²	70.5	16%	0.155	40%	0.401	C	S	.	.	S	Bend	trans	146.4	-155.8	179.9	0	0	0	0	0	113.1	S113 D159	S113-G116 PolarHBondContact N-O 3.25Å; S113-G116 PolarHBondContact OG-N 2.69Å; S113-G116 PolarHBondContact OG-O 3.11Å; S113-G116 VanDerWaalsContact OG-O 3.13Å; G116-D159 CarbonylContact C-O 3.51Å; G116-D159 WeakPolarHBondContact CA-O 3.46Å
117	W	94.6	Very high	92.6	Very high	29 Å²	29	65.2 Å²	65.2	11%	0.11	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.2	167.8	-70.4	-11.2	0	0	0	110.1	V110 M129 L134 M152 Q155 F156 D159 V160 D161	V110-W117 HydrophobicContact CG1-CB 3.6Å; V110-W117 HydrophobicContact CG1-CD2 4.13Å; V110-W117 HydrophobicContact CG1-CG 3.69Å; W117-M129 HydrophobicContact CB-CE 4.3Å; W117-L134 HydrophobicContact CH2-CD1 3.89Å; W117-L134 HydrophobicContact CH2-CD2 4.44Å; W117-L134 HydrophobicContact CZ3-CD1 4.02Å; W117-M152 HydrophobicContact CH2-SD 4.3Å; W117-M152 HydrophobicContact CZ3-SD 4.27Å; W117-Q155 HydrophobicContact CE3-CG 4.44Å; W117-Q155 HydrophobicContact CH2-CG 3.62Å; W117-Q155 HydrophobicContact CZ2-CG 4.24Å; W117-Q155 HydrophobicContact CZ3-CG 3.72Å; W117-F156 HydrophobicContact CE3-CD1 4.08Å; W117-F156 HydrophobicContact CE3-CE1 4.23Å; W117-F156 AromaticContact CZ3-CD1 3.82Å; W117-F156 HydrophobicContact CZ3-CD1 3.82Å; W117-F156 AromaticContact CZ3-CE1 3.77Å; W117-F156 HydrophobicContact CZ3-CE1 3.77Å; W117-D159 PolarHBondContact N-O 2.91Å; W117-V160 HydrophobicContact CB-CG2 4.16Å; W117-V160 HydrophobicContact CE3-CG2 4.19Å; W117-V160 CarbonylContact O-C 3.54Å; W117-V160 WeakPolarHBondContact O-CA 3.39Å; W117-D161 PolarHBondContact O-N 3.28Å
118	S	94.6	Very high	93.1	Very high	41 Å²	41	61.9 Å²	61.9	29%	0.287	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132.8	174.3	-65	0	0	0	0	110.2	H111 M129	H111-S118 PolarHBondContact O-N 2.85Å; S118-M129 WeakPolarHBondContact O-CE 3.46Å
119	P	95.9	Very high	93.3	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.071	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-55.3	150.5	166.5	-22.9	33.6	0	0	0	111.8	Y121 V160 D161 W162	P119-Y121 HydrophobicContact CB-CE2 4.11Å; P119-Y121 VanDerWaalsContact O-CD2 3.32Å; P119-Y121 WeakPolarHBondContact O-CD2 3.29Å; P119-V160 HydrophobicContact CG-CG1 3.95Å; P119-D161 VanDerWaalsContact CD-O 3.28Å; P119-D161 WeakPolarHBondContact CD-O 3.31Å; P119-W162 HydrophobicContact CG-CE3 4.21Å; P119-W162 HydrophobicContact CG-CZ3 4.39Å
120	V	96.9	Very high	93.6	Very high	16 Å²	16	50.4 Å²	50.4	10%	0.097	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.7	169.6	-176.7	0	0	0	0	107.3	L105 E108 V128 F133	L105-V120 HydrophobicContact CB-CG1 4.43Å; L105-V120 HydrophobicContact CD1-CB 4.14Å; L105-V120 HydrophobicContact CD1-CG1 3.81Å; L105-V120 HydrophobicContact CD2-CG1 3.83Å; L105-V120 HydrophobicContact CG-CG1 4.24Å; E108-V120 HydrophobicContact CB-CG1 3.74Å; E108-V120 HydrophobicContact CB-CG2 4.37Å; E108-V120 HydrophobicContact CG-CG1 3.86Å; V120-V128 PolarHBondContact N-O 2.82Å; V120-V128 PolarHBondContact O-N 2.95Å; V120-F133 HydrophobicContact CB-CE2 3.91Å; V120-F133 HydrophobicContact CB-CZ 3.99Å; V120-F133 HydrophobicContact CG1-CZ 4.47Å; V120-F133 HydrophobicContact CG2-CD2 3.81Å; V120-F133 HydrophobicContact CG2-CE1 4.43Å; V120-F133 HydrophobicContact CG2-CE2 3.72Å; V120-F133 HydrophobicContact CG2-CG 4.23Å; V120-F133 HydrophobicContact CG2-CZ 4.06Å
121	Y	96.6	Very high	93.4	Very high	115 Å²	115	49.3 Å²	49.3	45%	0.451	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.4	-173.4	-75	-96.6	0	0	0	111.6	P119 E123 L126	P119-Y121 HydrophobicContact CB-CE2 4.11Å; P119-Y121 VanDerWaalsContact O-CD2 3.32Å; P119-Y121 WeakPolarHBondContact O-CD2 3.29Å; Y121-E123 WeakPolarHBondContact CD1-O 3.41Å; Y121-L126 WeakPolarHBondContact CA-O 3.49Å
122	V	96.1	Very high	93.3	Very high	42 Å²	42	43.7 Å²	43.7	26%	0.255	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-40.3	171.7	-175.2	0	0	0	0	109.8	M103 L105 L126 V128	M103-V122 HydrophobicContact CB-CG2 3.9Å; M103-V122 HydrophobicContact CE-CB 4.48Å; M103-V122 HydrophobicContact CE-CG1 4.46Å; M103-V122 HydrophobicContact CE-CG2 3.81Å; L105-V122 HydrophobicContact CD1-CG2 3.6Å; L105-V122 HydrophobicContact CD2-CG2 4.14Å; L105-V122 HydrophobicContact CG-CG2 3.98Å; V122-L126 HydrophobicContact CB-CD2 4.25Å; V122-L126 HydrophobicContact CB-CG 4.25Å; V122-L126 PolarHBondContact N-O 3.46Å; V122-V128 HydrophobicContact CG2-CG2 3.65Å
123	E	95.3	Very high	93.3	Very high	79 Å²	79	36.4 Å²	36.4	37%	0.369	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	165.8	175.9	-59.8	177.2	-145	0	0	107.6	H77 Y121 N125 L126	H77-E123 IonicContact CE1-OE1 2.77Å; H77-E123 IonicContact ND1-OE1 3.43Å; H77-E123 PolarHBondContact ND1-OE1 2.84Å; Y121-E123 WeakPolarHBondContact CD1-O 3.41Å; E123-N125 PolarHBondContact O-N 2.94Å; E123-L126 HydrophobicContact CB-CB 4.18Å; E123-L126 PolarHBondContact O-N 2.89Å
124	D	95.8	Very high	93.3	Very high	162 Å²	162	37 Å²	37	87%	0.866	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.9	-176	-70	-21	0	0	0	113.3
125	N	97.7	Very high	93.2	Very high	13 Å²	13	34 Å²	34	7%	0.07	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	8.3	179.7	68.7	-32.2	0	0	0	114.1	A80 D82 T85 V87 E123	A80-N125 PolarHBondContact O-ND2 3.05Å; D82-N125 PolarHBondContact O-ND2 3.43Å; T85-N125 PolarHBondContact O-ND2 3.34Å; V87-N125 PolarHBondContact N-O 3.3Å; E123-N125 PolarHBondContact O-N 2.94Å
126	L	98.3	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	97.9	-176.9	178.9	53.7	0	0	0	111.9	A76 A80 V87 M103 Y121 V122 E123	A76-L126 HydrophobicContact CB-CD1 3.81Å; A80-L126 HydrophobicContact CB-CB 4.1Å; A80-L126 HydrophobicContact CB-CD2 4.19Å; V87-L126 HydrophobicContact CB-CD1 3.92Å; V87-L126 HydrophobicContact CG1-CD1 3.82Å; V87-L126 WeakPolarHBondContact O-CA 3.43Å; M103-L126 HydrophobicContact CE-CD2 3.69Å; M103-L126 HydrophobicContact CE-CG 4.27Å; Y121-L126 WeakPolarHBondContact CA-O 3.49Å; V122-L126 HydrophobicContact CB-CD2 4.25Å; V122-L126 HydrophobicContact CB-CG 4.25Å; V122-L126 PolarHBondContact N-O 3.46Å; E123-L126 HydrophobicContact CB-CB 4.18Å; E123-L126 PolarHBondContact O-N 2.89Å
127	G	98.1	Very high	92.2	Very high	3 Å²	3	38 Å²	38	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.1	177.5	0	0	0	0	0	112.9	V87 A88 L89	V87-G127 PolarHBondContact O-N 3.42Å; A88-G127 CarbonylContact C-O 3.55Å; A88-G127 VanDerWaalsContact CA-O 3.3Å; A88-G127 WeakPolarHBondContact CA-O 3.48Å; L89-G127 PolarHBondContact N-O 3.18Å
128	V	98.2	Very high	90.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.4	179	-178.6	0	0	0	0	110.1	L89 I99 M103 L105 V120 V122 F133	L89-V128 HydrophobicContact CB-CG2 4.34Å; L89-V128 CarbonylContact O-C 3.59Å; L89-V128 WeakPolarHBondContact O-CA 3.45Å; I99-V128 HydrophobicContact CG2-CG1 3.55Å; M103-V128 HydrophobicContact CE-CG2 4.2Å; M103-V128 HydrophobicContact CG-CG2 4.23Å; L105-V128 HydrophobicContact CD1-CB 3.76Å; L105-V128 HydrophobicContact CD1-CG1 4.21Å; L105-V128 HydrophobicContact CD1-CG2 3.91Å; V120-V128 PolarHBondContact N-O 2.82Å; V120-V128 PolarHBondContact O-N 2.95Å; V122-V128 HydrophobicContact CG2-CG2 3.65Å; V128-F133 HydrophobicContact CB-CE2 4.42Å; V128-F133 HydrophobicContact CB-CZ 4.45Å; V128-F133 HydrophobicContact CG1-CE2 4Å; V128-F133 HydrophobicContact CG1-CZ 3.99Å
129	M	97.4	Very high	89.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.2	166.4	-173.6	54.4	61	0	0	109.3	L89 L90 D91 V110 W117 S118 F133 F156 V160 W162	L89-M129 PolarHBondContact O-N 2.67Å; L90-M129 WeakPolarHBondContact CA-O 3.42Å; L90-M129 HydrophobicContact CD1-CB 3.94Å; L90-M129 HydrophobicContact CD1-CG 4.05Å; D91-M129 PolarHBondContact N-O 3.49Å; V110-M129 HydrophobicContact CG1-CE 3.92Å; V110-M129 HydrophobicContact CG1-SD 4.39Å; V110-M129 HydrophobicContact CG2-CE 4.02Å; V110-M129 HydrophobicContact CG2-SD 3.6Å; V110-M129 VanDerWaalsContact CG2-SD 3.6Å; W117-M129 HydrophobicContact CB-CE 4.3Å; S118-M129 WeakPolarHBondContact O-CE 3.46Å; M129-F133 HydrophobicContact SD-CD2 4.39Å; M129-F156 HydrophobicContact CG-CD1 3.48Å; M129-F156 VanDerWaalsContact CG-CD1 3.48Å; M129-F156 HydrophobicContact CG-CE1 3.6Å; M129-F156 HydrophobicContact CG-CG 4.29Å; M129-F156 HydrophobicContact CG-CZ 4.45Å; M129-F156 HydrophobicContact SD-CD1 4.13Å; M129-F156 HydrophobicContact SD-CE1 3.82Å; M129-V160 HydrophobicContact CE-CG1 4.19Å; M129-V160 HydrophobicContact CE-CG2 4.06Å; M129-V160 HydrophobicContact CG-CG2 3.9Å; M129-V160 HydrophobicContact SD-CG2 4.43Å; M129-W162 HydrophobicContact CB-CH2 3.71Å; M129-W162 HydrophobicContact CB-CZ3 4.26Å
130	S	94.6	Very high	88.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151	178.6	175.8	0	0	0	0	110.2	D91 P100 G132 F133	D91-S130 PolarHBondContact OD2-OG 2.81Å; P100-S130 WeakPolarHBondContact CD-OG 3.41Å; S130-G132 PolarHBondContact O-N 2.88Å; S130-G132 PolarHBondContact OG-N 3.24Å; S130-F133 PolarHBondContact O-N 3.47Å
131	V	86.6	Confident	87.3	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-59.9	-25.1	168.7	78.8	0	0	0	0	112	I94 P97 F133 L134 L135 W144 M152 F156	I94-V131 HydrophobicContact CB-CG1 4.36Å; I94-V131 HydrophobicContact CG1-CB 4.38Å; I94-V131 HydrophobicContact CG1-CG1 4.36Å; I94-V131 HydrophobicContact CG2-CG1 4.41Å; I94-V131 HydrophobicContact CG2-CG2 4.35Å; P97-V131 HydrophobicContact CB-CG1 3.91Å; P97-V131 HydrophobicContact CG-CG1 3.91Å; V131-F133 PolarHBondContact O-N 2.96Å; V131-L134 WeakPolarHBondContact O-CB 3.46Å; V131-L134 PolarHBondContact O-N 3.34Å; V131-L135 PolarHBondContact O-N 2.83Å; V131-W144 HydrophobicContact CG2-CH2 3.49Å; V131-W144 VanDerWaalsContact CG2-CH2 3.49Å; V131-W144 HydrophobicContact CG2-CZ2 4.42Å; V131-W144 HydrophobicContact CG2-CZ3 3.67Å; V131-M152 HydrophobicContact CG2-CG 4.5Å; V131-F156 HydrophobicContact CB-CE2 4.4Å; V131-F156 HydrophobicContact CB-CZ 4.21Å
132	G	87.1	Confident	86	Confident	23 Å²	23	48.4 Å²	48.4	24%	0.237	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-58.8	-29.5	179.6	0	0	0	0	0	113.2	S130 L134 L135	S130-G132 PolarHBondContact O-N 2.88Å; S130-G132 PolarHBondContact OG-N 3.24Å; G132-L134 PolarHBondContact O-N 3.07Å; G132-L135 PolarHBondContact O-N 3.44Å
133	F	90.9	Very high	84.9	Confident	10 Å²	10	53.7 Å²	53.7	4%	0.044	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-74.5	-12.8	176.1	-54.8	-38.6	0	0	0	114	P100 L105 E108 V110 V120 V128 M129 S130 V131	P100-F133 HydrophobicContact CB-CD1 4.36Å; P100-F133 HydrophobicContact CB-CE1 3.72Å; P100-F133 HydrophobicContact CB-CZ 4.37Å; P100-F133 HydrophobicContact CG-CD1 4.19Å; P100-F133 HydrophobicContact CG-CE1 3.76Å; P100-F133 HydrophobicContact CG-CZ 4.15Å; L105-F133 HydrophobicContact CB-CE1 3.83Å; L105-F133 HydrophobicContact CB-CZ 4.02Å; L105-F133 HydrophobicContact CD1-CE1 4.44Å; L105-F133 HydrophobicContact CD1-CZ 3.79Å; E108-F133 HydrophobicContact CB-CD1 4.4Å; E108-F133 HydrophobicContact CB-CE1 4.32Å; V110-F133 HydrophobicContact CG2-CB 3.5Å; V110-F133 VanDerWaalsContact CG2-CB 3.5Å; V110-F133 HydrophobicContact CG2-CD2 4.12Å; V110-F133 HydrophobicContact CG2-CG 4.28Å; V120-F133 HydrophobicContact CB-CE2 3.91Å; V120-F133 HydrophobicContact CB-CZ 3.99Å; V120-F133 HydrophobicContact CG1-CZ 4.47Å; V120-F133 HydrophobicContact CG2-CD2 3.81Å; V120-F133 HydrophobicContact CG2-CE1 4.43Å; V120-F133 HydrophobicContact CG2-CE2 3.72Å; V120-F133 HydrophobicContact CG2-CG 4.23Å; V120-F133 HydrophobicContact CG2-CZ 4.06Å; V128-F133 HydrophobicContact CB-CE2 4.42Å; V128-F133 HydrophobicContact CB-CZ 4.45Å; V128-F133 HydrophobicContact CG1-CE2 4Å; V128-F133 HydrophobicContact CG1-CZ 3.99Å; M129-F133 HydrophobicContact SD-CD2 4.39Å; S130-F133 PolarHBondContact O-N 3.47Å; V131-F133 PolarHBondContact O-N 2.96Å
134	L	85.6	Confident	83.9	Confident	60 Å²	60	52.3 Å²	52.3	31%	0.314	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-100.4	-5.6	179.4	-55.7	179.9	0	0	0	112.3	V110 W117 V131 G132 M152 F156	V110-L134 HydrophobicContact CB-CD2 4.04Å; V110-L134 HydrophobicContact CG2-CD2 3.7Å; V110-L134 HydrophobicContact CG2-CG 4.4Å; W117-L134 HydrophobicContact CH2-CD1 3.89Å; W117-L134 HydrophobicContact CH2-CD2 4.44Å; W117-L134 HydrophobicContact CZ3-CD1 4.02Å; V131-L134 WeakPolarHBondContact O-CB 3.46Å; V131-L134 PolarHBondContact O-N 3.34Å; G132-L134 PolarHBondContact O-N 3.07Å; L134-M152 HydrophobicContact CD1-CE 3.68Å; L134-M152 HydrophobicContact CD1-SD 3.63Å; L134-F156 HydrophobicContact CD1-CE1 4.01Å; L134-F156 HydrophobicContact CD1-CZ 4.05Å
135	L	81.4	Confident	83	Confident	31 Å²	31	54.9 Å²	54.9	16%	0.162	31%	0.308	C	S	.	.			trans	-82.1	148.2	177.4	-57.6	-179.7	0	0	0	110.2	P97 V131 G132 V142 W144	P97-L135 HydrophobicContact CG-CD1 4.33Å; V131-L135 PolarHBondContact O-N 2.83Å; G132-L135 PolarHBondContact O-N 3.44Å; L135-V142 HydrophobicContact CD1-CG2 3.55Å; L135-V142 HydrophobicContact CD2-CG2 3.61Å; L135-V142 HydrophobicContact CG-CG2 4.23Å; L135-W144 HydrophobicContact CD2-CZ2 4.41Å
136	S	76.6	Confident	82.2	Confident	123 Å²	123	56 Å²	56	86%	0.86	32%	0.323	S	S	*	.	S	Bend	trans	-77.2	-30.8	178	-54	0	0	0	0	111.2
137	S	77.5	Confident	81.4	Confident	40 Å²	40	61.2 Å²	61.2	28%	0.28	36%	0.357	S	S	.	.			trans	-140	145.1	175.5	179.3	0	0	0	0	110.8	D139 D140	S137-D139 PolarHBondContact O-N 3.11Å; S137-D139 PolarHBondContact OG-N 2.65Å; S137-D140 PolarHBondContact N-OD2 2.72Å; S137-D140 WeakPolarHBondContact O-CB 3.12Å; S137-D140 PolarHBondContact O-N 3.39Å; S137-D140 VanDerWaalsContact O-N 3.15Å
138	P	68.4	Low	80.6	Confident	104 Å²	104	66.6 Å²	66.6	68%	0.675	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.3	171.5	-22.1	33	0	0	0	113.9	D140	P138-D140 VanDerWaalsContact C-N 3.3Å
139	D	70.6	Confident	80.1	Confident	151 Å²	151	67.9 Å²	67.9	81%	0.807	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.6	-180	-65.3	-41.6	0	0	0	113.1	S137 A141	S137-D139 PolarHBondContact O-N 3.11Å; S137-D139 PolarHBondContact OG-N 2.65Å; D139-A141 PolarHBondContact O-N 2.76Å
140	D	74.3	Confident	79.6	Confident	75 Å²	75	70.1 Å²	70.1	40%	0.401	40%	0.397	S	S	.	.			trans	-70.2	114.2	-178.9	-73.6	-20.5	0	0	0	110.4	S137 P138 V142	S137-D140 PolarHBondContact N-OD2 2.72Å; S137-D140 WeakPolarHBondContact O-CB 3.12Å; S137-D140 PolarHBondContact O-N 3.39Å; S137-D140 VanDerWaalsContact O-N 3.15Å; P138-D140 VanDerWaalsContact C-N 3.3Å; D140-V142 PolarHBondContact O-N 2.75Å; D140-V142 VanDerWaalsContact O-N 3.09Å
141	A	66.4	Low	79.3	Confident	83 Å²	83	71.7 Å²	71.7	69%	0.686	41%	0.413	S	S	*	.			trans	-62.8	115.3	173.8	0	0	0	0	0	110.6	D139 I143	D139-A141 PolarHBondContact O-N 2.76Å; A141-I143 HydrophobicContact CB-CD1 4.48Å; A141-I143 HydrophobicContact CB-CG1 4.25Å; A141-I143 PolarHBondContact O-N 3.16Å
142	V	69.6	Low	79.5	Confident	18 Å²	18	72.6 Å²	72.6	11%	0.109	42%	0.418	C	S	.	.			trans	-80.4	82.6	179.4	-169.4	0	0	0	0	110.5	I94 L135 D140 W144	I94-V142 HydrophobicContact CG2-CG1 3.61Å; I94-V142 WeakPolarHBondContact O-CB 3.38Å; I94-V142 WeakPolarHBondContact O-CG1 3.3Å; L135-V142 HydrophobicContact CD1-CG2 3.55Å; L135-V142 HydrophobicContact CD2-CG2 3.61Å; L135-V142 HydrophobicContact CG-CG2 4.23Å; D140-V142 PolarHBondContact O-N 2.75Å; D140-V142 VanDerWaalsContact O-N 3.09Å; V142-W144 VanDerWaalsContact C-N 3.32Å; V142-W144 HydrophobicContact CG1-CB 4.3Å; V142-W144 HydrophobicContact CG1-CD2 3.63Å; V142-W144 HydrophobicContact CG1-CE3 4.27Å; V142-W144 HydrophobicContact CG1-CG 3.65Å; V142-W144 HydrophobicContact CG1-CZ2 4.24Å; V142-W144 PolarHBondContact O-N 3.02Å
143	I	72.1	Confident	79.7	Confident	152 Å²	152	71.5 Å²	71.5	78%	0.779	41%	0.406	S	S	*	.			trans	-91.7	68.9	176.5	-48.8	176.6	0	0	0	109.3	A141	A141-I143 HydrophobicContact CB-CD1 4.48Å; A141-I143 HydrophobicContact CB-CG1 4.25Å; A141-I143 PolarHBondContact O-N 3.16Å
144	W	74.6	Confident	79.8	Confident	50 Å²	50	72.9 Å²	72.9	19%	0.189	41%	0.412	C	S	.	.			trans	-95.9	136	178.6	-68.3	7.7	0	0	0	111.4	I94 V131 L135 V142 K148 K149 M152	I94-W144 HydrophobicContact CG2-CD2 4.25Å; I94-W144 HydrophobicContact CG2-CE3 3.69Å; I94-W144 HydrophobicContact CG2-CZ3 4.1Å; V131-W144 HydrophobicContact CG2-CH2 3.49Å; V131-W144 VanDerWaalsContact CG2-CH2 3.49Å; V131-W144 HydrophobicContact CG2-CZ2 4.42Å; V131-W144 HydrophobicContact CG2-CZ3 3.67Å; L135-W144 HydrophobicContact CD2-CZ2 4.41Å; V142-W144 VanDerWaalsContact C-N 3.32Å; V142-W144 HydrophobicContact CG1-CB 4.3Å; V142-W144 HydrophobicContact CG1-CD2 3.63Å; V142-W144 HydrophobicContact CG1-CE3 4.27Å; V142-W144 HydrophobicContact CG1-CG 3.65Å; V142-W144 HydrophobicContact CG1-CZ2 4.24Å; V142-W144 PolarHBondContact O-N 3.02Å; W144-K148 HydrophobicContact CB-CB 4.43Å; W144-K148 HydrophobicContact CB-CD 4.24Å; W144-K148 HydrophobicContact CB-CG 4.49Å; W144-K148 HydrophobicContact CD2-CD 3.75Å; W144-K148 HydrophobicContact CD2-CG 4.11Å; W144-K148 HydrophobicContact CE3-CD 4.16Å; W144-K148 HydrophobicContact CE3-CG 4.02Å; W144-K148 HydrophobicContact CG-CD 3.74Å; W144-K148 HydrophobicContact CG-CG 4.31Å; W144-K149 HydrophobicContact CB-CG 3.92Å; W144-K149 VanDerWaalsContact O-CE 3.29Å; W144-K149 WeakPolarHBondContact O-CE 3.43Å; W144-M152 HydrophobicContact CH2-CE 3.74Å; W144-M152 HydrophobicContact CZ3-CB 4.1Å; W144-M152 HydrophobicContact CZ3-CE 3.67Å; W144-M152 HydrophobicContact CZ3-CG 4.03Å
145	R	78.1	Confident	80.1	Confident	216 Å²	216	72.9 Å²	72.9	82%	0.815	41%	0.411	S	S	*	.			trans	-77.8	154.1	174.3	-63.1	-169.7	178.8	-157.5	0.3	110.7	P147 K148 K149	R145-P147 VanDerWaalsContact O-N 3.14Å; R145-K148 WeakPolarHBondContact O-CB 3.45Å; R145-K148 PolarHBondContact O-N 2.85Å; R145-K149 PolarHBondContact O-N 2.84Å
146	G	79.5	Confident	80.7	Confident	38 Å²	38	71.4 Å²	71.4	39%	0.392	40%	0.403	S	S	.	.	H	α-helix	trans	-41.2	-50.5	-176.8	0	0	0	0	0	115.6	K148 K149 N150	G146-K148 VanDerWaalsContact C-N 3.3Å; G146-K148 PolarHBondContact O-N 2.84Å; G146-K149 WeakPolarHBondContact O-CB 3.35Å; G146-K149 PolarHBondContact O-N 2.96Å; G146-K149 VanDerWaalsContact O-N 3.13Å; G146-N150 WeakPolarHBondContact O-CB 3.15Å; G146-N150 PolarHBondContact O-N 3.21Å
147	P	81	Confident	81.6	Confident	109 Å²	109	65.6 Å²	65.6	71%	0.708	36%	0.362	S	S	*	.	H	α-helix	trans	-59.6	-35.9	179.2	-26.8	35.4	0	0	0	114.4	R145 G151	R145-P147 VanDerWaalsContact O-N 3.14Å; P147-G151 PolarHBondContact O-N 3.32Å
148	K	83.3	Confident	82.3	Confident	115 Å²	115	67.3 Å²	67.3	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-71.7	-38.8	177.7	-172.4	176.7	178.9	-171.4	0	111.1	W144 R145 G146 G151 M152	W144-K148 HydrophobicContact CB-CB 4.43Å; W144-K148 HydrophobicContact CB-CD 4.24Å; W144-K148 HydrophobicContact CB-CG 4.49Å; W144-K148 HydrophobicContact CD2-CD 3.75Å; W144-K148 HydrophobicContact CD2-CG 4.11Å; W144-K148 HydrophobicContact CE3-CD 4.16Å; W144-K148 HydrophobicContact CE3-CG 4.02Å; W144-K148 HydrophobicContact CG-CD 3.74Å; W144-K148 HydrophobicContact CG-CG 4.31Å; R145-K148 WeakPolarHBondContact O-CB 3.45Å; R145-K148 PolarHBondContact O-N 2.85Å; G146-K148 VanDerWaalsContact C-N 3.3Å; G146-K148 PolarHBondContact O-N 2.84Å; K148-G151 PolarHBondContact O-N 2.8Å; K148-M152 PolarHBondContact O-N 2.82Å
149	K	85.9	Confident	83.5	Confident	28 Å²	28	64.4 Å²	64.4	12%	0.122	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-47.5	174.7	-64.7	-172.9	175.5	-178.9	0	111.8	I94 C95 W144 R145 G146 G151 M152 I153 E179	I94-K149 HydrophobicContact CD1-CB 3.75Å; I94-K149 HydrophobicContact CD1-CG 4.01Å; I94-K149 HydrophobicContact CG2-CG 4.24Å; C95-K149 PolarHBondContact SG-NZ 2.87Å; W144-K149 HydrophobicContact CB-CG 3.92Å; W144-K149 VanDerWaalsContact O-CE 3.29Å; W144-K149 WeakPolarHBondContact O-CE 3.43Å; R145-K149 PolarHBondContact O-N 2.84Å; G146-K149 WeakPolarHBondContact O-CB 3.35Å; G146-K149 PolarHBondContact O-N 2.96Å; G146-K149 VanDerWaalsContact O-N 3.13Å; K149-G151 VanDerWaalsContact C-N 3.33Å; K149-G151 PolarHBondContact O-N 3.48Å; K149-M152 WeakPolarHBondContact O-CB 3.2Å; K149-M152 PolarHBondContact O-N 3.3Å; K149-M152 VanDerWaalsContact O-N 3.08Å; K149-I153 WeakPolarHBondContact O-CG1 3.21Å; K149-I153 PolarHBondContact O-N 2.77Å; K149-E179 HydrophobicContact CD-CG 4.31Å; K149-E179 WeakPolarHBondContact CD-OE1 3.27Å; K149-E179 WeakPolarHBondContact CE-OE1 3.35Å; K149-E179 IonicContact NZ-OE1 2.7Å; K149-E179 PolarHBondContact NZ-OE1 2.78Å
150	N	87.2	Confident	84.6	Confident	46 Å²	46	57.2 Å²	57.2	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-45.2	175.9	-170.7	14.2	0	0	0	111.5	G146 M152 I153 K154 S182 Y186	G146-N150 WeakPolarHBondContact O-CB 3.15Å; G146-N150 PolarHBondContact O-N 3.21Å; N150-M152 VanDerWaalsContact C-N 3.28Å; N150-M152 PolarHBondContact O-N 2.85Å; N150-I153 PolarHBondContact O-N 2.86Å; N150-K154 PolarHBondContact O-N 2.93Å; N150-S182 VanDerWaalsContact OD1-CB 3.26Å; N150-S182 WeakPolarHBondContact OD1-CB 3.45Å; N150-S182 PolarHBondContact OD1-OG 2.89Å; N150-Y186 PolarHBondContact ND2-OH 3.17Å; N150-Y186 WeakPolarHBondContact OD1-CE2 3.37Å; N150-Y186 PolarHBondContact OD1-OH 2.87Å; N150-Y186 VanDerWaalsContact OD1-OH 3.08Å
151	G	88.5	Confident	85.6	Confident	34 Å²	34	56.2 Å²	56.2	35%	0.351	30%	0.298	S	S	.	.	H	α-helix	trans	-57.9	-38.4	173.1	0	0	0	0	0	113.3	P147 K148 K149 Q155	P147-G151 PolarHBondContact O-N 3.32Å; K148-G151 PolarHBondContact O-N 2.8Å; K149-G151 VanDerWaalsContact C-N 3.33Å; K149-G151 PolarHBondContact O-N 3.48Å; G151-Q155 WeakPolarHBondContact O-CB 3.38Å; G151-Q155 PolarHBondContact O-N 3.29Å
152	M	90.5	Very high	86.8	Confident	19 Å²	19	52.7 Å²	52.7	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-68.7	-43.8	176.6	-172.8	57.3	66.9	0	0	112.4	I94 W117 V131 L134 W144 K148 K149 N150 K154 Q155 F156	I94-M152 HydrophobicContact CD1-CB 4.17Å; I94-M152 HydrophobicContact CD1-CG 4.42Å; W117-M152 HydrophobicContact CH2-SD 4.3Å; W117-M152 HydrophobicContact CZ3-SD 4.27Å; V131-M152 HydrophobicContact CG2-CG 4.5Å; L134-M152 HydrophobicContact CD1-CE 3.68Å; L134-M152 HydrophobicContact CD1-SD 3.63Å; W144-M152 HydrophobicContact CH2-CE 3.74Å; W144-M152 HydrophobicContact CZ3-CB 4.1Å; W144-M152 HydrophobicContact CZ3-CE 3.67Å; W144-M152 HydrophobicContact CZ3-CG 4.03Å; K148-M152 PolarHBondContact O-N 2.82Å; K149-M152 WeakPolarHBondContact O-CB 3.2Å; K149-M152 PolarHBondContact O-N 3.3Å; K149-M152 VanDerWaalsContact O-N 3.08Å; N150-M152 VanDerWaalsContact C-N 3.28Å; N150-M152 PolarHBondContact O-N 2.85Å; M152-K154 VanDerWaalsContact C-N 3.31Å; M152-K154 PolarHBondContact O-N 3.46Å; M152-Q155 WeakPolarHBondContact O-CB 3.33Å; M152-Q155 PolarHBondContact O-N 3.45Å; M152-Q155 VanDerWaalsContact O-N 3.09Å; M152-F156 HydrophobicContact CG-CD2 3.99Å; M152-F156 HydrophobicContact CG-CE2 3.5Å; M152-F156 HydrophobicContact CG-CZ 3.83Å; M152-F156 WeakPolarHBondContact O-CD2 3.22Å; M152-F156 PolarHBondContact O-N 3.42Å; M152-F156 HydrophobicContact SD-CD1 4.47Å; M152-F156 HydrophobicContact SD-CD2 4.44Å; M152-F156 HydrophobicContact SD-CE1 4Å; M152-F156 HydrophobicContact SD-CE2 3.99Å; M152-F156 HydrophobicContact SD-CZ 3.72Å
153	I	92.1	Very high	87.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-46.5	175.4	-64.8	168.3	0	0	0	110	I92 I94 K149 N150 Q155 F156 L157 E179 V183 Y186	I92-I153 HydrophobicContact CB-CG1 4.2Å; I92-I153 HydrophobicContact CD1-CD1 4.26Å; I92-I153 HydrophobicContact CD1-CG1 4.47Å; I92-I153 HydrophobicContact CG2-CG1 4.26Å; I94-I153 HydrophobicContact CD1-CG1 4.39Å; K149-I153 WeakPolarHBondContact O-CG1 3.21Å; K149-I153 PolarHBondContact O-N 2.77Å; N150-I153 PolarHBondContact O-N 2.86Å; I153-Q155 VanDerWaalsContact C-N 3.3Å; I153-Q155 PolarHBondContact O-N 3.22Å; I153-F156 PolarHBondContact O-N 2.96Å; I153-L157 HydrophobicContact CG2-CD1 4.17Å; I153-L157 WeakPolarHBondContact O-CG 3.3Å; I153-L157 PolarHBondContact O-N 3.41Å; I153-L157 VanDerWaalsContact O-N 3.1Å; I153-E179 HydrophobicContact CD1-CB 3.84Å; I153-E179 HydrophobicContact CD1-CG 4.04Å; I153-V183 HydrophobicContact CG2-CB 4.13Å; I153-V183 HydrophobicContact CG2-CG2 4.48Å; I153-Y186 HydrophobicContact CG2-CD2 4.23Å
154	K	92.6	Very high	89	Confident	39 Å²	39	52.3 Å²	52.3	17%	0.17	27%	0.273	C	S	.	.	H	α-helix	trans	-55.4	-47.8	173.3	179.2	-172.6	-73.1	-168.2	0	111.3	D40 A42 I46 N150 M152 F156 L157 R158 Y186	D40-K154 IonicContact OD1-NZ 2.67Å; D40-K154 PolarHBondContact OD1-NZ 3.41Å; D40-K154 VanDerWaalsContact OD2-CE 3.24Å; D40-K154 WeakPolarHBondContact OD2-CE 3.27Å; D40-K154 IonicContact OD2-NZ 3.87Å; D40-K154 PolarHBondContact OD2-NZ 3.28Å; A42-K154 HydrophobicContact CB-CD 3.45Å; A42-K154 VanDerWaalsContact CB-CD 3.45Å; A42-K154 HydrophobicContact CB-CG 3.81Å; I46-K154 HydrophobicContact CD1-CG 4.14Å; N150-K154 PolarHBondContact O-N 2.93Å; M152-K154 VanDerWaalsContact C-N 3.31Å; M152-K154 PolarHBondContact O-N 3.46Å; K154-F156 PolarHBondContact O-N 3.06Å; K154-L157 PolarHBondContact O-N 2.82Å; K154-R158 VanDerWaalsContact O-CB 3.28Å; K154-R158 WeakPolarHBondContact O-CB 3.11Å; K154-R158 PolarHBondContact O-N 3.29Å; K154-Y186 HydrophobicContact CB-CD2 4.24Å; K154-Y186 HydrophobicContact CB-CE2 3.67Å; K154-Y186 VanDerWaalsContact CE-CZ 3.45Å; K154-Y186 WeakPolarHBondContact CE-OH 3.2Å; K154-Y186 HydrophobicContact CG-CE2 4.48Å
155	Q	92.3	Very high	90.1	Very high	60 Å²	60	50.3 Å²	50.3	28%	0.28	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-42.7	-178	-169.3	165.5	8.1	0	0	111.7	W117 G151 M152 I153 L157 R158 D159	W117-Q155 HydrophobicContact CE3-CG 4.44Å; W117-Q155 HydrophobicContact CH2-CG 3.62Å; W117-Q155 HydrophobicContact CZ2-CG 4.24Å; W117-Q155 HydrophobicContact CZ3-CG 3.72Å; G151-Q155 WeakPolarHBondContact O-CB 3.38Å; G151-Q155 PolarHBondContact O-N 3.29Å; M152-Q155 WeakPolarHBondContact O-CB 3.33Å; M152-Q155 PolarHBondContact O-N 3.45Å; M152-Q155 VanDerWaalsContact O-N 3.09Å; I153-Q155 VanDerWaalsContact C-N 3.3Å; I153-Q155 PolarHBondContact O-N 3.22Å; Q155-L157 PolarHBondContact O-N 3.25Å; Q155-R158 PolarHBondContact O-N 2.91Å; Q155-D159 HydrophobicContact CG-CB 4.12Å; Q155-D159 WeakPolarHBondContact CG-OD2 3.4Å; Q155-D159 WeakPolarHBondContact O-CA 3.42Å; Q155-D159 WeakPolarHBondContact O-CB 3.47Å; Q155-D159 PolarHBondContact O-N 3.49Å
156	F	94.8	Very high	91.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-41.5	175	-71.4	-41.3	0	0	0	113.1	L90 I92 W117 M129 V131 L134 M152 I153 K154 R158 V160	L90-F156 HydrophobicContact CD1-CB 3.71Å; L90-F156 HydrophobicContact CD1-CD1 4.4Å; L90-F156 HydrophobicContact CD1-CD2 3.87Å; L90-F156 HydrophobicContact CD1-CG 3.77Å; L90-F156 HydrophobicContact CD2-CB 4.25Å; I92-F156 HydrophobicContact CG2-CD2 4.35Å; W117-F156 HydrophobicContact CE3-CD1 4.08Å; W117-F156 HydrophobicContact CE3-CE1 4.23Å; W117-F156 AromaticContact CZ3-CD1 3.82Å; W117-F156 HydrophobicContact CZ3-CD1 3.82Å; W117-F156 AromaticContact CZ3-CE1 3.77Å; W117-F156 HydrophobicContact CZ3-CE1 3.77Å; M129-F156 HydrophobicContact CG-CD1 3.48Å; M129-F156 VanDerWaalsContact CG-CD1 3.48Å; M129-F156 HydrophobicContact CG-CE1 3.6Å; M129-F156 HydrophobicContact CG-CG 4.29Å; M129-F156 HydrophobicContact CG-CZ 4.45Å; M129-F156 HydrophobicContact SD-CD1 4.13Å; M129-F156 HydrophobicContact SD-CE1 3.82Å; V131-F156 HydrophobicContact CB-CE2 4.4Å; V131-F156 HydrophobicContact CB-CZ 4.21Å; L134-F156 HydrophobicContact CD1-CE1 4.01Å; L134-F156 HydrophobicContact CD1-CZ 4.05Å; M152-F156 HydrophobicContact CG-CD2 3.99Å; M152-F156 HydrophobicContact CG-CE2 3.5Å; M152-F156 HydrophobicContact CG-CZ 3.83Å; M152-F156 WeakPolarHBondContact O-CD2 3.22Å; M152-F156 PolarHBondContact O-N 3.42Å; M152-F156 HydrophobicContact SD-CD1 4.47Å; M152-F156 HydrophobicContact SD-CD2 4.44Å; M152-F156 HydrophobicContact SD-CE1 4Å; M152-F156 HydrophobicContact SD-CE2 3.99Å; M152-F156 HydrophobicContact SD-CZ 3.72Å; I153-F156 PolarHBondContact O-N 2.96Å; K154-F156 PolarHBondContact O-N 3.06Å; F156-R158 VanDerWaalsContact C-N 3.33Å; F156-R158 PolarHBondContact O-N 2.98Å; F156-V160 HydrophobicContact CB-CG2 4.41Å; F156-V160 HydrophobicContact CD1-CG2 4.14Å; F156-V160 VanDerWaalsContact O-CB 3.23Å; F156-V160 WeakPolarHBondContact O-CB 3.11Å; F156-V160 WeakPolarHBondContact O-CG2 3.23Å
157	L	94.1	Very high	92	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-72.8	-27.2	-179.3	-66.6	177.4	0	0	0	113	I46 M50 L90 I153 K154 Q155 Y186 L187	I46-L157 HydrophobicContact CD1-CB 3.81Å; I46-L157 HydrophobicContact CD1-CD1 4.42Å; I46-L157 HydrophobicContact CG1-CB 3.87Å; I46-L157 HydrophobicContact CG2-CB 3.9Å; I46-L157 HydrophobicContact CG2-CD1 4.45Å; M50-L157 HydrophobicContact CE-CD2 4.28Å; M50-L157 WeakPolarHBondContact CE-O 3.39Å; L90-L157 HydrophobicContact CD2-CD2 3.87Å; I153-L157 HydrophobicContact CG2-CD1 4.17Å; I153-L157 WeakPolarHBondContact O-CG 3.3Å; I153-L157 PolarHBondContact O-N 3.41Å; I153-L157 VanDerWaalsContact O-N 3.1Å; K154-L157 PolarHBondContact O-N 2.82Å; Q155-L157 PolarHBondContact O-N 3.25Å; L157-Y186 HydrophobicContact CD1-CD2 4.46Å; L157-Y186 HydrophobicContact CD1-CG 4.49Å; L157-L187 HydrophobicContact CD1-CD2 4.06Å; L157-L187 HydrophobicContact CD1-CG 4.01Å; L157-L187 HydrophobicContact CD2-CD2 3.93Å; L157-L187 HydrophobicContact CD2-CG 4.38Å
158	R	92.7	Very high	92.8	Very high	77 Å²	77	35 Å²	35	29%	0.291	19%	0.185	S	C	.	.	H	α-helix	trans	-97.7	-46.7	-175	-173.6	-170.4	59.4	-178.5	4.5	113.5	E45 I46 K49 K154 Q155 F156	E45-R158 HydrophobicContact CB-CG 4.15Å; E45-R158 WeakPolarHBondContact OE2-CD 3.42Å; E45-R158 IonicContact OE2-NH1 3.72Å; I46-R158 HydrophobicContact CD1-CB 4.5Å; I46-R158 HydrophobicContact CG1-CB 3.85Å; K49-R158 WeakPolarHBondContact CE-O 3.18Å; K49-R158 WeakPolarHBondContact CG-O 3.37Å; K154-R158 VanDerWaalsContact O-CB 3.28Å; K154-R158 WeakPolarHBondContact O-CB 3.11Å; K154-R158 PolarHBondContact O-N 3.29Å; Q155-R158 PolarHBondContact O-N 2.91Å; F156-R158 VanDerWaalsContact C-N 3.33Å; F156-R158 PolarHBondContact O-N 2.98Å
159	D	92.8	Very high	93.5	Very high	42 Å²	42	29.5 Å²	29.5	23%	0.225	16%	0.161	C	C	.	.	H	α-helix	trans	-97.5	-13.6	-165.2	-62.9	-11.5	0	0	0	112.2	G116 W117 Q155	G116-D159 CarbonylContact C-O 3.51Å; G116-D159 WeakPolarHBondContact CA-O 3.46Å; W117-D159 PolarHBondContact N-O 2.91Å; Q155-D159 HydrophobicContact CG-CB 4.12Å; Q155-D159 WeakPolarHBondContact CG-OD2 3.4Å; Q155-D159 WeakPolarHBondContact O-CA 3.42Å; Q155-D159 WeakPolarHBondContact O-CB 3.47Å; Q155-D159 PolarHBondContact O-N 3.49Å
160	V	95.1	Very high	94.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-75.6	132.7	173.2	-179.3	0	0	0	0	109.7	W117 P119 M129 F156 W162	W117-V160 HydrophobicContact CB-CG2 4.16Å; W117-V160 HydrophobicContact CE3-CG2 4.19Å; W117-V160 CarbonylContact O-C 3.54Å; W117-V160 WeakPolarHBondContact O-CA 3.39Å; P119-V160 HydrophobicContact CG-CG1 3.95Å; M129-V160 HydrophobicContact CE-CG1 4.19Å; M129-V160 HydrophobicContact CE-CG2 4.06Å; M129-V160 HydrophobicContact CG-CG2 3.9Å; M129-V160 HydrophobicContact SD-CG2 4.43Å; F156-V160 HydrophobicContact CB-CG2 4.41Å; F156-V160 HydrophobicContact CD1-CG2 4.14Å; F156-V160 VanDerWaalsContact O-CB 3.23Å; F156-V160 WeakPolarHBondContact O-CB 3.11Å; F156-V160 WeakPolarHBondContact O-CG2 3.23Å; V160-W162 HydrophobicContact CB-CD2 4.29Å; V160-W162 HydrophobicContact CB-CZ2 3.89Å; V160-W162 HydrophobicContact CG1-CD2 3.65Å; V160-W162 HydrophobicContact CG1-CE3 3.92Å; V160-W162 HydrophobicContact CG1-CG 4.2Å; V160-W162 HydrophobicContact CG1-CH2 3.99Å; V160-W162 HydrophobicContact CG1-CZ2 3.7Å; V160-W162 HydrophobicContact CG1-CZ3 4.07Å; V160-W162 HydrophobicContact CG2-CZ2 4.23Å; V160-W162 PolarHBondContact O-N 3.12Å
161	D	94.3	Very high	94.5	Very high	55 Å²	55	26 Å²	26	29%	0.294	14%	0.143	S	C	.	.			trans	-88.7	89.7	172.7	-169.3	14.5	0	0	0	109.4	S115 W117 P119 G163	S115-D161 WeakPolarHBondContact CB-OD2 3.16Å; S115-D161 PolarHBondContact OG-OD2 3.46Å; W117-D161 PolarHBondContact O-N 3.28Å; P119-D161 VanDerWaalsContact CD-O 3.28Å; P119-D161 WeakPolarHBondContact CD-O 3.31Å; D161-G163 VanDerWaalsContact C-N 3.27Å; D161-G163 PolarHBondContact O-N 3.43Å
162	W	92.3	Very high	94.8	Very high	9 Å²	9	24.4 Å²	24.4	3%	0.034	13%	0.127	C	C	.	.			trans	-71.3	-21.5	-177.8	-63.5	105.8	0	0	0	113.2	V53 A88 L90 P119 M129 V160 V165 L168	V53-W162 HydrophobicContact CG2-CB 4.39Å; A88-W162 HydrophobicContact CB-CE3 3.56Å; A88-W162 HydrophobicContact CB-CZ3 3.65Å; L90-W162 HydrophobicContact CB-CH2 3.83Å; L90-W162 HydrophobicContact CB-CZ2 4.31Å; L90-W162 HydrophobicContact CD1-CH2 4.03Å; L90-W162 HydrophobicContact CD1-CZ2 4.18Å; L90-W162 HydrophobicContact CD2-CZ2 4.18Å; L90-W162 HydrophobicContact CG-CH2 4.31Å; L90-W162 HydrophobicContact CG-CZ2 4.44Å; P119-W162 HydrophobicContact CG-CE3 4.21Å; P119-W162 HydrophobicContact CG-CZ3 4.39Å; M129-W162 HydrophobicContact CB-CH2 3.71Å; M129-W162 HydrophobicContact CB-CZ3 4.26Å; V160-W162 HydrophobicContact CB-CD2 4.29Å; V160-W162 HydrophobicContact CB-CZ2 3.89Å; V160-W162 HydrophobicContact CG1-CD2 3.65Å; V160-W162 HydrophobicContact CG1-CE3 3.92Å; V160-W162 HydrophobicContact CG1-CG 4.2Å; V160-W162 HydrophobicContact CG1-CH2 3.99Å; V160-W162 HydrophobicContact CG1-CZ2 3.7Å; V160-W162 HydrophobicContact CG1-CZ3 4.07Å; V160-W162 HydrophobicContact CG2-CZ2 4.23Å; V160-W162 PolarHBondContact O-N 3.12Å; W162-V165 HydrophobicContact CB-CG2 4.14Å; W162-V165 WeakPolarHBondContact O-CG2 3.45Å; W162-L168 HydrophobicContact CD2-CD1 4.44Å; W162-L168 HydrophobicContact CE3-CD1 4.2Å; W162-L168 HydrophobicContact CH2-CD1 3.94Å; W162-L168 HydrophobicContact CZ2-CD1 4.21Å; W162-L168 HydrophobicContact CZ3-CD1 3.96Å
163	G	92.2	Very high	94.8	Very high	33 Å²	33	23.8 Å²	23.8	34%	0.34	12%	0.124	S	C	.	.			trans	63	-156.6	-167.2	0	0	0	0	0	112	T52 D161	T52-G163 WeakPolarHBondContact CB-O 3.13Å; T52-G163 PolarHBondContact OG1-O 3.33Å; D161-G163 VanDerWaalsContact C-N 3.27Å; D161-G163 PolarHBondContact O-N 3.43Å
164	D	96.1	Very high	94.7	Very high	129 Å²	129	26 Å²	26	69%	0.69	14%	0.139	S	C	*	.	S	Bend	trans	-84.7	115	173.1	-69.1	-49.3	0	0	0	109.9	Q86	Q86-D164 VanDerWaalsContact CB-O 3.31Å; Q86-D164 WeakPolarHBondContact CB-O 3.24Å
165	V	97.5	Very high	94.3	Very high	7 Å²	7	25 Å²	25	4%	0.042	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.6	-173.9	173.4	0	0	0	0	109.8	T52 V53 K54 A88 W162 Y167	T52-V165 PolarHBondContact O-N 3.04Å; V53-V165 CarbonylContact C-O 3.52Å; V53-V165 WeakPolarHBondContact CA-O 3.34Å; V53-V165 HydrophobicContact CG1-CG1 4.4Å; V53-V165 HydrophobicContact CG2-CB 4.32Å; K54-V165 PolarHBondContact N-O 2.93Å; A88-V165 HydrophobicContact CB-CG1 3.82Å; A88-V165 HydrophobicContact CB-CG2 4.17Å; W162-V165 HydrophobicContact CB-CG2 4.14Å; W162-V165 WeakPolarHBondContact O-CG2 3.45Å; V165-Y167 VanDerWaalsContact CG1-C 3.41Å; V165-Y167 VanDerWaalsContact CG1-O 3.28Å; V165-Y167 WeakPolarHBondContact CG1-O 3.46Å
166	D	98.1	Very high	93.2	Very high	24 Å²	24	26 Å²	26	13%	0.128	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-46.2	173	-66	-71.6	0	0	0	111.3	K54 H55 T85 Q86	K54-D166 VanDerWaalsContact CD-OD1 3.24Å; K54-D166 WeakPolarHBondContact CD-OD1 3.35Å; K54-D166 VanDerWaalsContact CE-OD1 3.23Å; K54-D166 WeakPolarHBondContact CE-OD1 3.31Å; K54-D166 IonicContact NZ-OD1 3.4Å; K54-D166 PolarHBondContact NZ-OD1 2.8Å; H55-D166 WeakPolarHBondContact CB-O 3.33Å; H55-D166 PolarHBondContact CD2-O 3.31Å; H55-D166 PolarHBondContact N-O 2.81Å; T85-D166 HydrophobicContact CG2-CB 3.91Å; Q86-D166 PolarHBondContact N-OD2 3.47Å; Q86-D166 WeakPolarHBondContact O-CA 3.43Å; Q86-D166 WeakPolarHBondContact O-CB 3.05Å; Q86-D166 PolarHBondContact O-N 3.13Å
167	Y	98.5	Very high	92.2	Very high	18 Å²	18	27.4 Å²	27.4	7%	0.071	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	115.8	-177.8	-63.7	-86	0	0	0	111.9	H55 I57 L79 T85 Q86 A88 V165 C307	H55-Y167 HydrophobicContact CB-CD1 3.66Å; H55-Y167 HydrophobicContact CB-CE1 3.89Å; H55-Y167 HydrophobicContact CB-CG 4.48Å; H55-Y167 AromaticContact CD2-CE1 3.56Å; H55-Y167 AromaticContact CD2-CZ 3.82Å; H55-Y167 AromaticContact CG-CE1 3.9Å; I57-Y167 HydrophobicContact CD1-CD1 3.88Å; I57-Y167 HydrophobicContact CD1-CE1 4.39Å; L79-Y167 HydrophobicContact CD1-CD1 4.18Å; L79-Y167 HydrophobicContact CD1-CD2 4.23Å; L79-Y167 HydrophobicContact CD1-CG 3.87Å; L79-Y167 HydrophobicContact CD2-CD2 4.17Å; L79-Y167 HydrophobicContact CD2-CE2 4.08Å; L79-Y167 HydrophobicContact CD2-CG 4.47Å; T85-Y167 HydrophobicContact CG2-CD2 3.69Å; T85-Y167 HydrophobicContact CG2-CE2 3.89Å; Q86-Y167 PolarHBondContact O-N 3.42Å; A88-Y167 PolarHBondContact N-O 2.81Å; V165-Y167 VanDerWaalsContact CG1-C 3.41Å; V165-Y167 VanDerWaalsContact CG1-O 3.28Å; V165-Y167 WeakPolarHBondContact CG1-O 3.46Å; Y167-C307 HydrophobicContact CE1-CB 4.2Å
168	L	98.5	Very high	91.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.3	163.8	177.1	63.8	0	0	0	109.2	M50 V53 H55 R56 I57 A88 L90 W162 V170	M50-L168 HydrophobicContact CE-CD2 4.45Å; M50-L168 HydrophobicContact SD-CD2 3.95Å; V53-L168 HydrophobicContact CG1-CB 3.43Å; V53-L168 VanDerWaalsContact CG1-CB 3.43Å; V53-L168 HydrophobicContact CG1-CD2 4.32Å; H55-L168 PolarHBondContact O-N 2.93Å; R56-L168 WeakPolarHBondContact CA-O 3.28Å; I57-L168 PolarHBondContact N-O 2.85Å; A88-L168 HydrophobicContact CB-CD1 3.71Å; A88-L168 WeakPolarHBondContact O-CA 3.11Å; L90-L168 HydrophobicContact CB-CD1 4.04Å; W162-L168 HydrophobicContact CD2-CD1 4.44Å; W162-L168 HydrophobicContact CE3-CD1 4.2Å; W162-L168 HydrophobicContact CH2-CD1 3.94Å; W162-L168 HydrophobicContact CZ2-CD1 4.21Å; W162-L168 HydrophobicContact CZ3-CD1 3.96Å; L168-V170 HydrophobicContact CD2-CG2 4.47Å; L168-V170 HydrophobicContact CG-CG2 4.18Å
169	I	98.6	Very high	91.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126	174.9	-56.1	158.5	0	0	0	107.7	I57 V59 L75 A76 L79 V87 A88 L89 L90	I57-I169 WeakPolarHBondContact O-CA 3.3Å; V59-I169 HydrophobicContact CG2-CG2 3.63Å; L75-I169 HydrophobicContact CB-CD1 4.35Å; L75-I169 HydrophobicContact CD2-CD1 4.25Å; L75-I169 HydrophobicContact CD2-CG1 4.28Å; L75-I169 HydrophobicContact CD2-CG2 4.24Å; L75-I169 HydrophobicContact CG-CD1 3.85Å; L75-I169 HydrophobicContact CG-CG1 4.39Å; A76-I169 HydrophobicContact CB-CD1 3.5Å; L79-I169 HydrophobicContact CD1-CD1 4.07Å; V87-I169 HydrophobicContact CG1-CD1 3.95Å; A88-I169 PolarHBondContact O-N 2.8Å; L89-I169 WeakPolarHBondContact CA-O 3.28Å; L89-I169 HydrophobicContact CD1-CB 3.95Å; L89-I169 HydrophobicContact CD1-CG2 3.82Å; L90-I169 PolarHBondContact N-O 2.81Å
170	V	97.7	Very high	90.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	109.8	178	-171.8	0	0	0	0	109.7	I57 L58 V59 L90 I92 L168 T172 V183	I57-V170 PolarHBondContact O-N 2.78Å; L58-V170 HydrophobicContact CD1-CB 4.28Å; L58-V170 HydrophobicContact CD1-CG2 4.25Å; L58-V170 HydrophobicContact CG-CB 4.32Å; V59-V170 PolarHBondContact N-O 2.87Å; L90-V170 HydrophobicContact CB-CG2 4.46Å; L90-V170 HydrophobicContact CD2-CG1 4.35Å; L90-V170 HydrophobicContact CD2-CG2 4.41Å; L90-V170 HydrophobicContact CG-CG1 4.47Å; L90-V170 CarbonylContact O-C 3.44Å; L90-V170 WeakPolarHBondContact O-CA 3.49Å; I92-V170 HydrophobicContact CD1-CG1 3.83Å; I92-V170 HydrophobicContact CG1-CG1 3.96Å; I92-V170 HydrophobicContact CG2-CG1 4.27Å; L168-V170 HydrophobicContact CD2-CG2 4.47Å; L168-V170 HydrophobicContact CG-CG2 4.18Å; V170-T172 HydrophobicContact CG1-CG2 4.33Å; V170-T172 PolarHBondContact O-N 3.22Å; V170-V183 HydrophobicContact CG1-CG2 4.28Å
171	D	96.3	Very high	90.6	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	105.5	172.2	-170.6	45.2	0	0	0	109.5	K68 S69 S72 L89 L90 I92 I99	K68-D171 WeakPolarHBondContact CG-OD1 3.33Å; K68-D171 IonicContact NZ-OD1 3.21Å; K68-D171 PolarHBondContact NZ-OD1 3.38Å; K68-D171 IonicContact NZ-OD2 3.23Å; K68-D171 PolarHBondContact NZ-OD2 2.77Å; K68-D171 VanDerWaalsContact NZ-OD2 3.1Å; S69-D171 WeakPolarHBondContact CA-OD1 3.43Å; S69-D171 WeakPolarHBondContact CA-OD2 3.39Å; S69-D171 WeakPolarHBondContact CB-OD2 3.2Å; S69-D171 PolarHBondContact OG-OD2 3.2Å; S72-D171 PolarHBondContact OG-OD1 2.88Å; L89-D171 HydrophobicContact CD1-CB 4.44Å; L90-D171 PolarHBondContact O-N 3.09Å; I92-D171 VanDerWaalsContact CG1-O 3.26Å; I92-D171 WeakPolarHBondContact CG1-O 3.41Å; I92-D171 PolarHBondContact N-O 3.28Å; I99-D171 HydrophobicContact CG1-CB 4.44Å
172	T	94.1	Very high	90.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-87.2	161	-176.2	69.3	0	0	0	0	111.8	L58 V59 L60 K68 I92 V170 H180	L58-T172 HydrophobicContact CG-CG2 4.38Å; V59-T172 PolarHBondContact O-N 3.29Å; V59-T172 PolarHBondContact O-OG1 2.8Å; L60-T172 HydrophobicContact CD2-CG2 3.58Å; L60-T172 WeakPolarHBondContact CD2-OG1 3.49Å; K68-T172 WeakPolarHBondContact CD-O 3.47Å; K68-T172 WeakPolarHBondContact CE-O 3.42Å; K68-T172 PolarHBondContact NZ-O 3.34Å; I92-T172 HydrophobicContact CD1-CG2 4.17Å; V170-T172 HydrophobicContact CG1-CG2 4.33Å; V170-T172 PolarHBondContact O-N 3.22Å; T172-H180 PolarHBondContact OG1-NE2 2.96Å
173	P	90.8	Very high	90.3	Very high	7 Å²	7	29.4 Å²	29.4	5%	0.045	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-64.9	161.6	168.7	25.4	-34.2	0	0	0	112.4	D93 S177 E179 H180	D93-P173 HydrophobicContact CB-CB 4.48Å; P173-S177 WeakPolarHBondContact CG-OG 3.4Å; P173-E179 HydrophobicContact CG-CB 3.54Å; P173-E179 HydrophobicContact CG-CG 3.99Å; P173-H180 PolarHBondContact O-NE2 3.36Å
174	P	88.7	Confident	90.3	Very high	47 Å²	47	28.6 Å²	28.6	31%	0.305	16%	0.164	S	C	.	.	S	Bend	trans	-74	150.6	176.4	30.4	-35.2	0	0	0	113.3	D93	D93-P174 WeakPolarHBondContact OD2-CD 3.33Å
175	G	84.3	Confident	90	Very high	17 Å²	17	27.9 Å²	27.9	18%	0.175	16%	0.157	C	C	.	.	S	Bend	trans	72.9	173.4	178.6	0	0	0	0	0	113.2	S61 G62 S177 H180	S61-G175 PolarHBondContact O-N 3.39Å; G62-G175 WeakPolarHBondContact O-CA 3.5Å; G175-S177 VanDerWaalsContact C-N 3.29Å; G175-S177 PolarHBondContact O-N 3.38Å; G175-H180 PolarHBondContact O-CE1 3.18Å; G175-H180 PolarHBondContact O-ND1 2.81Å; G175-H180 PolarHBondContact O-NE2 3.03Å
176	T	70.3	Confident	89.8	Confident	82 Å²	82	27.9 Å²	27.9	50%	0.503	16%	0.156	S	C	.	.	S	Bend	trans	-81	70.2	-176.1	59.3	0	0	0	0	112	E212 F215	T176-E212 VanDerWaalsContact CG2-OE2 3.3Å; T176-E212 WeakPolarHBondContact CG2-OE2 3.49Å; T176-F215 HydrophobicContact CG2-CB 3.98Å; T176-F215 HydrophobicContact CG2-CG 4.4Å
177	S	73.7	Confident	89.4	Confident	29 Å²	29	26.8 Å²	26.8	20%	0.203	15%	0.15	C	C	.	.			trans	-88.6	165.4	-176.1	63.5	0	0	0	0	112.9	P173 G175 E179 H180	P173-S177 WeakPolarHBondContact CG-OG 3.4Å; G175-S177 VanDerWaalsContact C-N 3.29Å; G175-S177 PolarHBondContact O-N 3.38Å; S177-E179 WeakPolarHBondContact CB-OE2 3.03Å; S177-E179 PolarHBondContact O-N 2.97Å; S177-E179 PolarHBondContact OG-OE2 3.34Å; S177-H180 WeakPolarHBondContact O-CB 3.49Å; S177-H180 PolarHBondContact O-N 3.39Å; S177-H180 VanDerWaalsContact O-N 3.12Å
178	D	79.6	Confident	88.8	Confident	110 Å²	110	29.3 Å²	29.3	59%	0.588	18%	0.175	S	C	*	.	H	α-helix	trans	-62.3	-25.2	179	-73.5	-23.1	0	0	0	112.1	H180 L181 S182	D178-H180 VanDerWaalsContact C-N 3.29Å; D178-H180 PolarHBondContact O-N 2.81Å; D178-L181 PolarHBondContact O-N 2.9Å; D178-S182 WeakPolarHBondContact O-CB 3.45Å; D178-S182 PolarHBondContact O-N 2.94Å; D178-S182 PolarHBondContact O-OG 2.57Å
179	E	86.4	Confident	88.1	Confident	23 Å²	23	31 Å²	31	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-60.7	-36.8	175.4	-66.3	89.5	150.6	0	0	111.8	K149 I153 P173 S177 S182 V183	K149-E179 HydrophobicContact CD-CG 4.31Å; K149-E179 WeakPolarHBondContact CD-OE1 3.27Å; K149-E179 WeakPolarHBondContact CE-OE1 3.35Å; K149-E179 IonicContact NZ-OE1 2.7Å; K149-E179 PolarHBondContact NZ-OE1 2.78Å; I153-E179 HydrophobicContact CD1-CB 3.84Å; I153-E179 HydrophobicContact CD1-CG 4.04Å; P173-E179 HydrophobicContact CG-CB 3.54Å; P173-E179 HydrophobicContact CG-CG 3.99Å; S177-E179 WeakPolarHBondContact CB-OE2 3.03Å; S177-E179 PolarHBondContact O-N 2.97Å; S177-E179 PolarHBondContact OG-OE2 3.34Å; E179-S182 WeakPolarHBondContact O-CB 3.3Å; E179-S182 PolarHBondContact O-N 2.84Å; E179-V183 WeakPolarHBondContact O-CG1 3.49Å; E179-V183 PolarHBondContact O-N 3.1Å
180	H	86.5	Confident	87.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-45.2	175.4	-68.3	-170.9	0	0	0	111.9	T172 P173 G175 S177 D178 S182 V183 V184 E212 F215	T172-H180 PolarHBondContact OG1-NE2 2.96Å; P173-H180 PolarHBondContact O-NE2 3.36Å; G175-H180 PolarHBondContact O-CE1 3.18Å; G175-H180 PolarHBondContact O-ND1 2.81Å; G175-H180 PolarHBondContact O-NE2 3.03Å; S177-H180 WeakPolarHBondContact O-CB 3.49Å; S177-H180 PolarHBondContact O-N 3.39Å; S177-H180 VanDerWaalsContact O-N 3.12Å; D178-H180 VanDerWaalsContact C-N 3.29Å; D178-H180 PolarHBondContact O-N 2.81Å; H180-S182 VanDerWaalsContact C-N 3.28Å; H180-S182 PolarHBondContact O-N 2.8Å; H180-V183 VanDerWaalsContact O-CG1 3.3Å; H180-V183 WeakPolarHBondContact O-CG1 3.36Å; H180-V184 WeakPolarHBondContact O-CB 3.33Å; H180-V184 VanDerWaalsContact O-CG2 3.25Å; H180-V184 WeakPolarHBondContact O-CG2 3.22Å; H180-V184 PolarHBondContact O-N 2.75Å; H180-E212 IonicContact CE1-OE1 2.79Å; H180-E212 PolarHBondContact CE1-OE1 3.29Å; H180-E212 VanDerWaalsContact CE1-OE1 3.23Å; H180-E212 IonicContact ND1-OE1 2.57Å; H180-E212 PolarHBondContact ND1-OE1 3.1Å; H180-F215 HydrophobicContact CB-CE1 3.92Å; H180-F215 HydrophobicContact CB-CE2 4.38Å; H180-F215 HydrophobicContact CB-CZ 3.63Å
181	L	87.3	Confident	87	Confident	81 Å²	81	35 Å²	35	42%	0.424	21%	0.209	S	C	.	.	H	α-helix	trans	-61.4	-41.9	175.2	-74.3	171.5	0	0	0	110.8	D178 V184 Q185 F215 V219	D178-L181 PolarHBondContact O-N 2.9Å; L181-V184 PolarHBondContact O-N 3.03Å; L181-Q185 WeakPolarHBondContact O-CB 3.31Å; L181-Q185 PolarHBondContact O-N 3.37Å; L181-F215 HydrophobicContact CD2-CE2 3.56Å; L181-F215 HydrophobicContact CD2-CZ 4.11Å; L181-F215 HydrophobicContact CG-CE2 3.87Å; L181-F215 HydrophobicContact CG-CZ 4.37Å; L181-V219 HydrophobicContact CD2-CG1 3.83Å
182	S	89.6	Confident	86.9	Confident	11 Å²	11	35.6 Å²	35.6	8%	0.077	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-50.3	-179.2	-57.4	0	0	0	0	111.6	N150 D178 E179 H180 Q185 Y186	N150-S182 VanDerWaalsContact OD1-CB 3.26Å; N150-S182 WeakPolarHBondContact OD1-CB 3.45Å; N150-S182 PolarHBondContact OD1-OG 2.89Å; D178-S182 WeakPolarHBondContact O-CB 3.45Å; D178-S182 PolarHBondContact O-N 2.94Å; D178-S182 PolarHBondContact O-OG 2.57Å; E179-S182 WeakPolarHBondContact O-CB 3.3Å; E179-S182 PolarHBondContact O-N 2.84Å; H180-S182 VanDerWaalsContact C-N 3.28Å; H180-S182 PolarHBondContact O-N 2.8Å; S182-Q185 PolarHBondContact O-N 3.46Å; S182-Y186 WeakPolarHBondContact O-CD2 3.38Å; S182-Y186 PolarHBondContact O-N 2.94Å
183	V	92.1	Very high	87	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-41.2	179.6	68.3	0	0	0	0	111.8	L58 I92 I153 V170 E179 H180 Q185 Y186 L187	L58-V183 HydrophobicContact CD2-CG1 3.95Å; I92-V183 HydrophobicContact CD1-CB 3.89Å; I92-V183 HydrophobicContact CD1-CG1 4.01Å; I92-V183 HydrophobicContact CD1-CG2 4.15Å; I153-V183 HydrophobicContact CG2-CB 4.13Å; I153-V183 HydrophobicContact CG2-CG2 4.48Å; V170-V183 HydrophobicContact CG1-CG2 4.28Å; E179-V183 WeakPolarHBondContact O-CG1 3.49Å; E179-V183 PolarHBondContact O-N 3.1Å; H180-V183 VanDerWaalsContact O-CG1 3.3Å; H180-V183 WeakPolarHBondContact O-CG1 3.36Å; V183-Q185 PolarHBondContact O-N 2.89Å; V183-Y186 PolarHBondContact O-N 3.1Å; V183-L187 HydrophobicContact CG2-CD1 3.8Å; V183-L187 HydrophobicContact CG2-CG 4.36Å; V183-L187 WeakPolarHBondContact O-CB 3.46Å; V183-L187 WeakPolarHBondContact O-CG 3.33Å; V183-L187 PolarHBondContact O-N 2.83Å
184	V	92.3	Very high	87.3	Confident	15 Å²	15	35.5 Å²	35.5	9%	0.091	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-41.7	176.8	172.1	0	0	0	0	110.9	L58 H180 L181 A188 I192 V219 L221	L58-V184 HydrophobicContact CD2-CG2 3.98Å; H180-V184 WeakPolarHBondContact O-CB 3.33Å; H180-V184 VanDerWaalsContact O-CG2 3.25Å; H180-V184 WeakPolarHBondContact O-CG2 3.22Å; H180-V184 PolarHBondContact O-N 2.75Å; L181-V184 PolarHBondContact O-N 3.03Å; V184-A188 WeakPolarHBondContact O-CA 3.4Å; V184-A188 WeakPolarHBondContact O-CB 2.95Å; V184-A188 PolarHBondContact O-N 2.88Å; V184-I192 HydrophobicContact CB-CD1 4.44Å; V184-I192 HydrophobicContact CG1-CD1 4.38Å; V184-I192 HydrophobicContact CG2-CD1 4.32Å; V184-V219 HydrophobicContact CG1-CB 4.19Å; V184-V219 HydrophobicContact CG1-CG2 4.07Å; V184-L221 HydrophobicContact CG2-CD2 4.04Å
185	Q	90.3	Very high	87.7	Confident	114 Å²	114	33.3 Å²	33.3	53%	0.533	20%	0.197	S	C	.	.	H	α-helix	trans	-64.4	-46.4	178.2	-179	179.1	5.9	0	0	111.8	L181 S182 V183 A188	L181-Q185 WeakPolarHBondContact O-CB 3.31Å; L181-Q185 PolarHBondContact O-N 3.37Å; S182-Q185 PolarHBondContact O-N 3.46Å; V183-Q185 PolarHBondContact O-N 2.89Å; Q185-A188 VanDerWaalsContact O-CB 3.31Å; Q185-A188 WeakPolarHBondContact O-CB 3.33Å; Q185-A188 PolarHBondContact O-N 2.69Å
186	Y	91.5	Very high	88.4	Confident	8 Å²	8	32.5 Å²	32.5	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-69.7	-34	-179.5	-70.6	-43.7	0	0	0	113.1	V43 I46 N150 I153 K154 L157 S182 V183	V43-Y186 HydrophobicContact CG2-CD1 4Å; I46-Y186 HydrophobicContact CD1-CD1 4.1Å; I46-Y186 HydrophobicContact CD1-CG 4.01Å; N150-Y186 PolarHBondContact ND2-OH 3.17Å; N150-Y186 WeakPolarHBondContact OD1-CE2 3.37Å; N150-Y186 PolarHBondContact OD1-OH 2.87Å; N150-Y186 VanDerWaalsContact OD1-OH 3.08Å; I153-Y186 HydrophobicContact CG2-CD2 4.23Å; K154-Y186 HydrophobicContact CB-CD2 4.24Å; K154-Y186 HydrophobicContact CB-CE2 3.67Å; K154-Y186 VanDerWaalsContact CE-CZ 3.45Å; K154-Y186 WeakPolarHBondContact CE-OH 3.2Å; K154-Y186 HydrophobicContact CG-CE2 4.48Å; L157-Y186 HydrophobicContact CD1-CD2 4.46Å; L157-Y186 HydrophobicContact CD1-CG 4.49Å; S182-Y186 WeakPolarHBondContact O-CD2 3.38Å; S182-Y186 PolarHBondContact O-N 2.94Å; V183-Y186 PolarHBondContact O-N 3.1Å
187	L	91.4	Very high	89.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-86.4	-6.2	176.2	-67.2	179.1	0	0	0	113.6	I46 M50 L58 L157 V183 A189 A190 H191 I192	I46-L187 HydrophobicContact CG2-CD2 4.27Å; M50-L187 HydrophobicContact CG-CD2 3.87Å; M50-L187 HydrophobicContact SD-CD2 3.91Å; L58-L187 HydrophobicContact CD1-CD1 4.21Å; L157-L187 HydrophobicContact CD1-CD2 4.06Å; L157-L187 HydrophobicContact CD1-CG 4.01Å; L157-L187 HydrophobicContact CD2-CD2 3.93Å; L157-L187 HydrophobicContact CD2-CG 4.38Å; V183-L187 HydrophobicContact CG2-CD1 3.8Å; V183-L187 HydrophobicContact CG2-CG 4.36Å; V183-L187 WeakPolarHBondContact O-CB 3.46Å; V183-L187 WeakPolarHBondContact O-CG 3.33Å; V183-L187 PolarHBondContact O-N 2.83Å; L187-A189 PolarHBondContact O-N 3.04Å; L187-A189 VanDerWaalsContact O-N 3.17Å; L187-A190 HydrophobicContact CD2-CB 4.33Å; L187-A190 PolarHBondContact O-N 3.35Å; L187-H191 PolarHBondContact O-N 2.9Å; L187-H191 VanDerWaalsContact O-N 3.1Å; L187-I192 HydrophobicContact CB-CD1 3.7Å; L187-I192 HydrophobicContact CB-CG1 3.57Å; L187-I192 HydrophobicContact CD1-CD1 4.44Å; L187-I192 HydrophobicContact CD1-CG1 4.26Å
188	A	84.4	Confident	90.8	Very high	71 Å²	71	27.2 Å²	27.2	59%	0.587	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.2	-177.3	0	0	0	0	0	112.4	V184 Q185	V184-A188 WeakPolarHBondContact O-CA 3.4Å; V184-A188 WeakPolarHBondContact O-CB 2.95Å; V184-A188 PolarHBondContact O-N 2.88Å; Q185-A188 VanDerWaalsContact O-CB 3.31Å; Q185-A188 WeakPolarHBondContact O-CB 3.33Å; Q185-A188 PolarHBondContact O-N 2.69Å
189	A	84.1	Confident	91.6	Very high	37 Å²	37	22 Å²	22	31%	0.306	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-21.1	179.3	0	0	0	0	0	113.4	V43 K47 L187	V43-A189 HydrophobicContact CG1-CB 3.62Å; K47-A189 HydrophobicContact CB-CB 4.15Å; K47-A189 HydrophobicContact CD-CB 4.04Å; K47-A189 HydrophobicContact CG-CB 4.32Å; K47-A189 WeakPolarHBondContact CG-O 3.39Å; L187-A189 PolarHBondContact O-N 3.04Å; L187-A189 VanDerWaalsContact O-N 3.17Å
190	A	85.9	Confident	92	Very high	12 Å²	12	21 Å²	21	10%	0.099	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.2	178.6	0	0	0	0	0	113.3	M50 R56 L187	M50-A190 HydrophobicContact CB-CB 3.55Å; M50-A190 HydrophobicContact CG-CB 3.82Å; R56-A190 VanDerWaalsContact CZ-O 3.27Å; R56-A190 PolarHBondContact NH1-O 2.79Å; R56-A190 PolarHBondContact NH2-O 3.39Å; L187-A190 HydrophobicContact CD2-CB 4.33Å; L187-A190 PolarHBondContact O-N 3.35Å
191	H	88.3	Confident	92.2	Very high	70 Å²	70	21.1 Å²	21.1	32%	0.324	12%	0.124	S	C	.	.			trans	72.1	134.3	-167.1	-175.7	73.2	0	0	0	113.2	R56 L187	R56-H191 WeakPolarHBondContact CD-O 3.32Å; R56-H191 PolarHBondContact NH1-O 3.03Å; L187-H191 PolarHBondContact O-N 2.9Å; L187-H191 VanDerWaalsContact O-N 3.1Å
192	I	94.4	Very high	92.3	Very high	13 Å²	13	19.8 Å²	19.8	7%	0.067	12%	0.116	C	C	.	.			trans	-116.5	122.3	174.6	-55.7	168.2	0	0	0	106.6	R56 L58 V184 L187 G194 L221	R56-I192 WeakPolarHBondContact O-CG2 3.38Å; L58-I192 HydrophobicContact CD1-CG2 3.71Å; L58-I192 HydrophobicContact CD2-CD1 4.49Å; V184-I192 HydrophobicContact CB-CD1 4.44Å; V184-I192 HydrophobicContact CG1-CD1 4.38Å; V184-I192 HydrophobicContact CG2-CD1 4.32Å; L187-I192 HydrophobicContact CB-CD1 3.7Å; L187-I192 HydrophobicContact CB-CG1 3.57Å; L187-I192 HydrophobicContact CD1-CD1 4.44Å; L187-I192 HydrophobicContact CD1-CG1 4.26Å; I192-G194 VanDerWaalsContact C-N 3.33Å; I192-L221 HydrophobicContact CB-CD1 3.98Å; I192-L221 HydrophobicContact CD1-CD1 3.99Å; I192-L221 HydrophobicContact CG2-CD1 3.49Å; I192-L221 VanDerWaalsContact CG2-CD1 3.49Å
193	D	95.9	Very high	92.2	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.032	12%	0.123	C	C	.	.			trans	-64.6	-41.5	-178.1	-60.5	-114	0	0	0	110.7	H55 R56 P222 F306	H55-D193 VanDerWaalsContact CA-OD2 3.32Å; H55-D193 WeakPolarHBondContact CA-OD2 3.46Å; H55-D193 IonicContact CE1-OD1 3.56Å; H55-D193 IonicContact CG-OD1 3.55Å; H55-D193 IonicContact ND1-OD1 2.9Å; H55-D193 PolarHBondContact ND1-OD1 2.83Å; R56-D193 PolarHBondContact N-OD2 2.92Å; R56-D193 PolarHBondContact O-N 2.98Å; R56-D193 VanDerWaalsContact O-N 3.16Å; D193-P222 WeakPolarHBondContact O-CB 3.48Å; D193-F306 WeakPolarHBondContact O-CE1 3.2Å
194	G	96.4	Very high	92	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.8	-174.5	168	0	0	0	0	0	114.6	I57 L58 I192 P222	I57-G194 WeakPolarHBondContact CA-O 3.35Å; L58-G194 PolarHBondContact N-O 2.86Å; I192-G194 VanDerWaalsContact C-N 3.33Å; G194-P222 CarbonylContact C-O 3.58Å; G194-P222 WeakPolarHBondContact CA-O 3.48Å
195	A	97.6	Very high	91.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.3	178.5	0	0	0	0	0	112.5	L58 L60 L221 P222 I224	L58-A195 HydrophobicContact CB-CB 4.39Å; L58-A195 CarbonylContact O-C 3.54Å; L58-A195 WeakPolarHBondContact O-CA 3.44Å; L60-A195 HydrophobicContact CD1-CB 3.62Å; L60-A195 HydrophobicContact CG-CB 4.03Å; A195-L221 HydrophobicContact CB-CD2 3.86Å; A195-L221 HydrophobicContact CB-CG 4.1Å; A195-P222 PolarHBondContact N-O 3.31Å; A195-I224 PolarHBondContact O-N 2.53Å
196	V	98.5	Very high	91.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.1	164.1	-179.8	0	0	0	0	107.9	I57 L58 V59 L60 F71 L198 I224 V227 L264 I303	I57-V196 HydrophobicContact CG2-CG2 3.94Å; L58-V196 PolarHBondContact O-N 2.94Å; V59-V196 WeakPolarHBondContact CA-O 3.37Å; L60-V196 PolarHBondContact N-O 2.84Å; F71-V196 HydrophobicContact CE1-CG1 3.88Å; F71-V196 HydrophobicContact CZ-CG1 4.26Å; V196-L198 HydrophobicContact CG1-CD2 3.89Å; V196-I224 HydrophobicContact CG2-CB 4.15Å; V196-I224 HydrophobicContact CG2-CD1 4.14Å; V196-I224 HydrophobicContact CG2-CG2 4.42Å; V196-V227 HydrophobicContact CG1-CG2 3.85Å; V196-L264 HydrophobicContact CG1-CD1 4.02Å; V196-L264 HydrophobicContact CG2-CD1 4.2Å; V196-I303 HydrophobicContact CG2-CD1 3.89Å; V196-I303 HydrophobicContact CG2-CG1 4.21Å
197	I	97.9	Very high	91.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.6	-175.1	-51.4	175	0	0	0	109.9	L60 V209 E212 I213 I223 G225 V226 V227	L60-I197 HydrophobicContact CB-CG1 4.38Å; I197-V209 HydrophobicContact CG2-CG1 3.84Å; I197-V209 HydrophobicContact CG2-CG2 4.3Å; I197-E212 HydrophobicContact CG2-CB 4.36Å; I197-E212 HydrophobicContact CG2-CG 4.1Å; I197-I213 HydrophobicContact CD1-CG1 3.62Å; I197-I223 HydrophobicContact CD1-CD1 4.23Å; I197-I223 HydrophobicContact CD1-CG1 4.39Å; I197-I223 HydrophobicContact CD1-CG2 3.98Å; I197-I223 HydrophobicContact CG1-CG2 4.45Å; I197-G225 PolarHBondContact N-O 3.07Å; I197-V226 HydrophobicContact CB-CG2 4.4Å; I197-V226 CarbonylContact O-C 3.57Å; I197-V226 VanDerWaalsContact O-CA 3.3Å; I197-V226 WeakPolarHBondContact O-CA 3.49Å; I197-V227 PolarHBondContact O-N 3.29Å
198	L	97.2	Very high	91.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.4	-178.2	-82.7	-72.5	0	0	0	111.1	V59 L60 V66 F71 V196 V227 N229	V59-L198 HydrophobicContact CG1-CD2 3.52Å; V59-L198 HydrophobicContact CG1-CG 4.35Å; L60-L198 PolarHBondContact O-N 3.19Å; V66-L198 HydrophobicContact CG2-CB 3.95Å; F71-L198 HydrophobicContact CB-CD1 3.86Å; F71-L198 HydrophobicContact CB-CG 4.19Å; F71-L198 HydrophobicContact CD1-CD1 4.23Å; F71-L198 HydrophobicContact CD1-CD2 3.77Å; F71-L198 HydrophobicContact CD1-CG 4.29Å; F71-L198 HydrophobicContact CD2-CD1 3.97Å; F71-L198 HydrophobicContact CE1-CD2 4.17Å; F71-L198 HydrophobicContact CG-CD1 3.74Å; F71-L198 HydrophobicContact CG-CD2 4.16Å; F71-L198 HydrophobicContact CG-CG 4.2Å; V196-L198 HydrophobicContact CG1-CD2 3.89Å; L198-V227 HydrophobicContact CD1-CB 3.83Å; L198-V227 HydrophobicContact CD1-CG1 3.84Å; L198-V227 HydrophobicContact CD2-CB 4.5Å; L198-N229 HydrophobicContact CD1-CB 4.26Å
199	T	95.9	Very high	92.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	174.5	173.5	-164.2	0	0	0	0	111.5	L206 V226 V227 E228 N229 A252	T199-L206 HydrophobicContact CG2-CD2 4.07Å; T199-V226 HydrophobicContact CG2-CG1 3.85Å; T199-V227 PolarHBondContact N-O 2.87Å; T199-E228 HydrophobicContact CG2-CB 4.16Å; T199-E228 HydrophobicContact CG2-CG 4.24Å; T199-N229 PolarHBondContact O-N 3.02Å; T199-A252 HydrophobicContact CG2-CB 3.77Å
200	T	94.1	Very high	92.6	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.018	13%	0.126	C	C	.	.			trans	-127.2	162.7	166.2	58.7	0	0	0	0	109.3	K63 V66 Q202 A205 M230	K63-T200 WeakPolarHBondContact CE-OG1 3.25Å; K63-T200 PolarHBondContact NZ-OG1 3.01Å; V66-T200 HydrophobicContact CB-CG2 3.91Å; V66-T200 HydrophobicContact CG1-CG2 3.91Å; T200-Q202 PolarHBondContact O-N 3.5Å; T200-Q202 PolarHBondContact OG1-OE1 3.44Å; T200-A205 WeakPolarHBondContact O-CB 3.47Å; T200-A205 WeakPolarHBondContact OG1-CB 3.37Å; T200-M230 HydrophobicContact CG2-CB 4.36Å; T200-M230 HydrophobicContact CG2-CG 4.39Å; T200-M230 HydrophobicContact CG2-SD 4.25Å
201	P	91.2	Very high	92.9	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.019	15%	0.146	C	C	.	.	S	Bend	trans	-62.1	-18	-173.6	-26.4	33.6	0	0	0	116	E228 N229 F245	P201-E228 HydrophobicContact CG-CG 3.97Å; P201-N229 WeakPolarHBondContact CD-O 3.34Å; P201-F245 HydrophobicContact CB-CB 4.36Å; P201-F245 WeakPolarHBondContact CB-O 3.46Å
202	Q	89.2	Confident	93.2	Very high	53 Å²	53	27.1 Å²	27.1	25%	0.248	13%	0.13	C	C	.	.	S	Bend	trans	-69.5	138.5	-177.2	-55.6	88.8	-14.5	0	0	111.7	T200 V204 A205 L206 F245	T200-Q202 PolarHBondContact O-N 3.5Å; T200-Q202 PolarHBondContact OG1-OE1 3.44Å; Q202-V204 PolarHBondContact O-N 3.38Å; Q202-V204 VanDerWaalsContact O-N 3.13Å; Q202-A205 WeakPolarHBondContact O-CA 3.47Å; Q202-A205 WeakPolarHBondContact O-CB 3.38Å; Q202-A205 PolarHBondContact O-N 3.45Å; Q202-L206 PolarHBondContact O-N 3.06Å; Q202-F245 HydrophobicContact CG-CB 4.12Å; Q202-F245 HydrophobicContact CG-CD1 4.18Å; Q202-F245 HydrophobicContact CG-CG 4.21Å
203	E	87.9	Confident	93.2	Very high	49 Å²	49	26.8 Å²	26.8	23%	0.229	13%	0.129	C	C	.	.	H	α-helix	trans	-55.2	-37.2	-176.9	-171.4	58.5	-141.2	0	0	113.8	A205 L206 Q207 T249	E203-A205 PolarHBondContact O-N 3.35Å; E203-L206 PolarHBondContact O-N 3.21Å; E203-Q207 WeakPolarHBondContact O-CG 3.09Å; E203-Q207 PolarHBondContact O-N 2.73Å; E203-T249 WeakPolarHBondContact OE2-CB 3.28Å; E203-T249 VanDerWaalsContact OE2-CG2 3.24Å; E203-T249 WeakPolarHBondContact OE2-CG2 3.37Å; E203-T249 PolarHBondContact OE2-OG1 2.79Å
204	V	87.4	Confident	93.1	Very high	97 Å²	97	28.9 Å²	28.9	59%	0.588	14%	0.144	S	C	*	.	H	α-helix	trans	-61	-34.3	178.1	-167.7	0	0	0	0	111.2	Q202	Q202-V204 PolarHBondContact O-N 3.38Å; Q202-V204 VanDerWaalsContact O-N 3.13Å
205	A	89.6	Confident	93	Very high	1 Å²	1	30 Å²	30	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-46.6	172.9	0	0	0	0	0	112.2	K63 T200 Q202 E203 Q207 D208 V209	K63-A205 HydrophobicContact CD-CB 4Å; T200-A205 WeakPolarHBondContact O-CB 3.47Å; T200-A205 WeakPolarHBondContact OG1-CB 3.37Å; Q202-A205 WeakPolarHBondContact O-CA 3.47Å; Q202-A205 WeakPolarHBondContact O-CB 3.38Å; Q202-A205 PolarHBondContact O-N 3.45Å; E203-A205 PolarHBondContact O-N 3.35Å; A205-Q207 VanDerWaalsContact C-N 3.3Å; A205-Q207 PolarHBondContact O-N 3.28Å; A205-D208 PolarHBondContact O-N 3.19Å; A205-V209 WeakPolarHBondContact O-CG2 3.47Å; A205-V209 PolarHBondContact O-N 3.3Å
206	L	90.8	Very high	92.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-37.5	-174.4	-61	172.8	0	0	0	110.9	T199 Q202 E203 D208 V209 R210 A252 M255	T199-L206 HydrophobicContact CG2-CD2 4.07Å; Q202-L206 PolarHBondContact O-N 3.06Å; E203-L206 PolarHBondContact O-N 3.21Å; L206-D208 VanDerWaalsContact C-N 3.33Å; L206-D208 PolarHBondContact O-N 3.49Å; L206-V209 PolarHBondContact O-N 2.98Å; L206-R210 WeakPolarHBondContact O-CG 3.31Å; L206-R210 PolarHBondContact O-N 3.27Å; L206-A252 HydrophobicContact CD2-CB 4.2Å; L206-M255 HydrophobicContact CB-SD 4.17Å; L206-M255 HydrophobicContact CD2-CE 4.04Å; L206-M255 HydrophobicContact CD2-SD 3.93Å
207	Q	89.5	Confident	92.6	Very high	103 Å²	103	35.6 Å²	35.6	48%	0.481	18%	0.175	S	C	.	.	H	α-helix	trans	-59.4	-42	175	-72.2	-177.6	-12.9	0	0	112.7	E203 A205 R210 K211	E203-Q207 WeakPolarHBondContact O-CG 3.09Å; E203-Q207 PolarHBondContact O-N 2.73Å; A205-Q207 VanDerWaalsContact C-N 3.3Å; A205-Q207 PolarHBondContact O-N 3.28Å; Q207-R210 PolarHBondContact O-N 3.49Å; Q207-K211 PolarHBondContact O-N 3.1Å
208	D	91.4	Very high	92.4	Very high	40 Å²	40	43.5 Å²	43.5	21%	0.214	21%	0.209	C	C	.	.	H	α-helix	trans	-72.8	-34.2	178.3	-65.7	-35.4	0	0	0	111.7	G62 A205 L206 R210 K211 E212	G62-D208 WeakPolarHBondContact O-CB 3.35Å; A205-D208 PolarHBondContact O-N 3.19Å; L206-D208 VanDerWaalsContact C-N 3.33Å; L206-D208 PolarHBondContact O-N 3.49Å; D208-R210 VanDerWaalsContact C-N 3.32Å; D208-R210 PolarHBondContact O-N 2.83Å; D208-K211 WeakPolarHBondContact O-CB 3.45Å; D208-K211 PolarHBondContact O-N 3.42Å; D208-K211 VanDerWaalsContact O-N 3.08Å; D208-K211 IonicContact OD1-NZ 2.77Å; D208-K211 PolarHBondContact OD1-NZ 3.38Å; D208-E212 PolarHBondContact O-N 2.87Å
209	V	92.6	Very high	92.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-66	-33.7	174.9	170.1	0	0	0	0	112.2	I197 A205 L206 K211 E212 I213 M255	I197-V209 HydrophobicContact CG2-CG1 3.84Å; I197-V209 HydrophobicContact CG2-CG2 4.3Å; A205-V209 WeakPolarHBondContact O-CG2 3.47Å; A205-V209 PolarHBondContact O-N 3.3Å; L206-V209 PolarHBondContact O-N 2.98Å; V209-K211 VanDerWaalsContact C-N 3.27Å; V209-K211 PolarHBondContact O-N 3.49Å; V209-E212 WeakPolarHBondContact O-CB 3.43Å; V209-E212 PolarHBondContact O-N 3.41Å; V209-I213 HydrophobicContact CG1-CD1 3.84Å; V209-I213 HydrophobicContact CG1-CG1 4.4Å; V209-I213 WeakPolarHBondContact O-CB 3.26Å; V209-I213 VanDerWaalsContact O-CG1 3.31Å; V209-I213 WeakPolarHBondContact O-CG1 3.33Å; V209-I213 PolarHBondContact O-N 3.35Å; V209-M255 HydrophobicContact CB-CE 4.39Å; V209-M255 HydrophobicContact CB-SD 4.28Å; V209-M255 HydrophobicContact CG1-CE 3.53Å; V209-M255 HydrophobicContact CG1-SD 3.9Å
210	R	93.4	Very high	91.9	Very high	82 Å²	82	54.5 Å²	54.5	31%	0.309	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-37.4	171.1	-69.2	176.4	-171.4	-77.6	4.6	112	L206 Q207 D208 S214 M255 L259	L206-R210 WeakPolarHBondContact O-CG 3.31Å; L206-R210 PolarHBondContact O-N 3.27Å; Q207-R210 PolarHBondContact O-N 3.49Å; D208-R210 VanDerWaalsContact C-N 3.32Å; D208-R210 PolarHBondContact O-N 2.83Å; R210-S214 PolarHBondContact O-N 2.64Å; R210-S214 VanDerWaalsContact O-N 3.07Å; R210-M255 HydrophobicContact CG-CG 4.32Å; R210-M255 HydrophobicContact CG-SD 4.05Å; R210-L259 HydrophobicContact CG-CD1 4.21Å
211	K	92.6	Very high	91.9	Very high	119 Å²	119	54.8 Å²	54.8	52%	0.517	26%	0.261	S	S	.	.	H	α-helix	trans	-68.8	-40.9	174.8	-59	170	-166.7	154.9	0	110.8	Q207 D208 V209 S214 F215	Q207-K211 PolarHBondContact O-N 3.1Å; D208-K211 WeakPolarHBondContact O-CB 3.45Å; D208-K211 PolarHBondContact O-N 3.42Å; D208-K211 VanDerWaalsContact O-N 3.08Å; D208-K211 IonicContact OD1-NZ 2.77Å; D208-K211 PolarHBondContact OD1-NZ 3.38Å; V209-K211 VanDerWaalsContact C-N 3.27Å; V209-K211 PolarHBondContact O-N 3.49Å; K211-S214 WeakPolarHBondContact O-CB 3.35Å; K211-S214 PolarHBondContact O-N 3.33Å; K211-F215 PolarHBondContact O-N 3.34Å
212	E	93.6	Very high	92.2	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-43.1	177.5	-159	59.4	-144.9	0	0	112.3	L60 T176 H180 I197 D208 V209 F215 C216	L60-E212 HydrophobicContact CB-CG 3.99Å; L60-E212 HydrophobicContact CD1-CG 4.29Å; T176-E212 VanDerWaalsContact CG2-OE2 3.3Å; T176-E212 WeakPolarHBondContact CG2-OE2 3.49Å; H180-E212 IonicContact CE1-OE1 2.79Å; H180-E212 PolarHBondContact CE1-OE1 3.29Å; H180-E212 VanDerWaalsContact CE1-OE1 3.23Å; H180-E212 IonicContact ND1-OE1 2.57Å; H180-E212 PolarHBondContact ND1-OE1 3.1Å; I197-E212 HydrophobicContact CG2-CB 4.36Å; I197-E212 HydrophobicContact CG2-CG 4.1Å; D208-E212 PolarHBondContact O-N 2.87Å; V209-E212 WeakPolarHBondContact O-CB 3.43Å; V209-E212 PolarHBondContact O-N 3.41Å; E212-F215 WeakPolarHBondContact O-CB 3.3Å; E212-F215 PolarHBondContact O-N 2.97Å; E212-C216 PolarHBondContact O-N 2.89Å; E212-C216 PolarHBondContact O-SG 2.96Å
213	I	94.8	Very high	92.5	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-44.3	173.2	-71.9	163.1	0	0	0	110.7	I197 V209 F215 C216 H217 I223 V226 M255 L259 I261	I197-I213 HydrophobicContact CD1-CG1 3.62Å; V209-I213 HydrophobicContact CG1-CD1 3.84Å; V209-I213 HydrophobicContact CG1-CG1 4.4Å; V209-I213 WeakPolarHBondContact O-CB 3.26Å; V209-I213 VanDerWaalsContact O-CG1 3.31Å; V209-I213 WeakPolarHBondContact O-CG1 3.33Å; V209-I213 PolarHBondContact O-N 3.35Å; I213-F215 VanDerWaalsContact C-N 3.29Å; I213-F215 PolarHBondContact O-N 2.97Å; I213-C216 PolarHBondContact O-N 2.97Å; I213-H217 PolarHBondContact O-CD2 3.27Å; I213-H217 VanDerWaalsContact O-CD2 3.24Å; I213-H217 PolarHBondContact O-N 3.46Å; I213-I223 HydrophobicContact CB-CD1 4.44Å; I213-I223 HydrophobicContact CG1-CD1 4.34Å; I213-I223 HydrophobicContact CG2-CD1 4.07Å; I213-V226 HydrophobicContact CD1-CG2 4.49Å; I213-M255 HydrophobicContact CD1-CE 4.46Å; I213-L259 HydrophobicContact CD1-CD1 3.58Å; I213-L259 HydrophobicContact CG2-CD1 4.32Å; I213-I261 HydrophobicContact CB-CD1 4.16Å; I213-I261 HydrophobicContact CD1-CD1 3.71Å; I213-I261 HydrophobicContact CG1-CD1 3.79Å; I213-I261 HydrophobicContact CG2-CD1 3.29Å
214	S	94.2	Very high	93	Very high	50 Å²	50	53.5 Å²	53.5	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-39.6	175.8	-174.1	0	0	0	0	111.8	R210 K211 H217 K218	R210-S214 PolarHBondContact O-N 2.64Å; R210-S214 VanDerWaalsContact O-N 3.07Å; K211-S214 WeakPolarHBondContact O-CB 3.35Å; K211-S214 PolarHBondContact O-N 3.33Å; S214-H217 PolarHBondContact O-N 3.47Å; S214-K218 VanDerWaalsContact O-CG 3.3Å; S214-K218 WeakPolarHBondContact O-CG 3.21Å; S214-K218 PolarHBondContact O-N 3.49Å
215	F	93	Very high	93.6	Very high	23 Å²	23	48.9 Å²	48.9	10%	0.101	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-53.2	173.1	166.8	-96.3	0	0	0	110.9	T176 H180 L181 K211 E212 I213 H217 K218 V219	T176-F215 HydrophobicContact CG2-CB 3.98Å; T176-F215 HydrophobicContact CG2-CG 4.4Å; H180-F215 HydrophobicContact CB-CE1 3.92Å; H180-F215 HydrophobicContact CB-CE2 4.38Å; H180-F215 HydrophobicContact CB-CZ 3.63Å; L181-F215 HydrophobicContact CD2-CE2 3.56Å; L181-F215 HydrophobicContact CD2-CZ 4.11Å; L181-F215 HydrophobicContact CG-CE2 3.87Å; L181-F215 HydrophobicContact CG-CZ 4.37Å; K211-F215 PolarHBondContact O-N 3.34Å; E212-F215 WeakPolarHBondContact O-CB 3.3Å; E212-F215 PolarHBondContact O-N 2.97Å; I213-F215 VanDerWaalsContact C-N 3.29Å; I213-F215 PolarHBondContact O-N 2.97Å; F215-H217 VanDerWaalsContact C-N 3.29Å; F215-H217 PolarHBondContact O-N 3.06Å; F215-K218 WeakPolarHBondContact O-CB 2.75Å; F215-K218 PolarHBondContact O-N 2.77Å; F215-V219 HydrophobicContact CD1-CG2 4.41Å; F215-V219 HydrophobicContact CD2-CG1 4.17Å; F215-V219 HydrophobicContact CE1-CG2 3.98Å; F215-V219 HydrophobicContact CE2-CG1 3.71Å; F215-V219 HydrophobicContact CE2-CG2 4.5Å; F215-V219 HydrophobicContact CZ-CG1 3.95Å; F215-V219 HydrophobicContact CZ-CG2 4.02Å; F215-V219 WeakPolarHBondContact O-CG2 3.39Å; F215-V219 PolarHBondContact O-N 3.34Å
216	C	94.5	Very high	94	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-53.2	-46	178.9	-66.3	0	0	0	0	111.8	L60 E212 I213 K218 V219 K220 L221 I223	L60-C216 VanDerWaalsContact CD1-SG 3.54Å; E212-C216 PolarHBondContact O-N 2.89Å; E212-C216 PolarHBondContact O-SG 2.96Å; I213-C216 PolarHBondContact O-N 2.97Å; C216-K218 PolarHBondContact O-N 3.31Å; C216-V219 PolarHBondContact O-N 3.45Å; C216-K220 CarbonylContact O-C 3.42Å; C216-K220 WeakPolarHBondContact O-CA 3.45Å; C216-K220 PolarHBondContact O-N 3.21Å; C216-L221 HydrophobicContact CB-CB 4.28Å; C216-L221 PolarHBondContact O-N 3.41Å; C216-I223 HydrophobicContact CB-CD1 3.75Å; C216-I223 HydrophobicContact CB-CG1 3.74Å
217	H	94.5	Very high	94.3	Very high	118 Å²	118	48.8 Å²	48.8	55%	0.546	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-41	176.4	-71.1	-47	0	0	0	113.5	I213 S214 F215 K220	I213-H217 PolarHBondContact O-CD2 3.27Å; I213-H217 VanDerWaalsContact O-CD2 3.24Å; I213-H217 PolarHBondContact O-N 3.46Å; S214-H217 PolarHBondContact O-N 3.47Å; F215-H217 VanDerWaalsContact C-N 3.29Å; F215-H217 PolarHBondContact O-N 3.06Å; H217-K220 PolarHBondContact O-N 2.79Å
218	K	92.2	Very high	94.7	Very high	166 Å²	166	44 Å²	44	72%	0.722	21%	0.209	S	C	*	.	H	α-helix	trans	-64.4	-39.8	179.2	-75.3	172.1	-177.7	176.4	0	112.2	S214 F215 C216 K220	S214-K218 VanDerWaalsContact O-CG 3.3Å; S214-K218 WeakPolarHBondContact O-CG 3.21Å; S214-K218 PolarHBondContact O-N 3.49Å; F215-K218 WeakPolarHBondContact O-CB 2.75Å; F215-K218 PolarHBondContact O-N 2.77Å; C216-K218 PolarHBondContact O-N 3.31Å; K218-K220 VanDerWaalsContact C-N 3.31Å
219	V	91.5	Very high	94.8	Very high	43 Å²	43	42.5 Å²	42.5	26%	0.261	20%	0.201	S	C	.	.	H	α-helix	trans	-90.6	3.4	179.3	-53.4	0	0	0	0	113	L181 V184 F215 C216 L221	L181-V219 HydrophobicContact CD2-CG1 3.83Å; V184-V219 HydrophobicContact CG1-CB 4.19Å; V184-V219 HydrophobicContact CG1-CG2 4.07Å; F215-V219 HydrophobicContact CD1-CG2 4.41Å; F215-V219 HydrophobicContact CD2-CG1 4.17Å; F215-V219 HydrophobicContact CE1-CG2 3.98Å; F215-V219 HydrophobicContact CE2-CG1 3.71Å; F215-V219 HydrophobicContact CE2-CG2 4.5Å; F215-V219 HydrophobicContact CZ-CG1 3.95Å; F215-V219 HydrophobicContact CZ-CG2 4.02Å; F215-V219 WeakPolarHBondContact O-CG2 3.39Å; F215-V219 PolarHBondContact O-N 3.34Å; C216-V219 PolarHBondContact O-N 3.45Å; V219-L221 HydrophobicContact CG2-CB 3.75Å; V219-L221 PolarHBondContact O-N 3.23Å
220	K	92.9	Very high	94.7	Very high	188 Å²	188	45 Å²	45	82%	0.817	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	31.8	-177.9	-53.4	178.1	-178.9	177.1	0	113.6	C216 H217 K218 P222	C216-K220 CarbonylContact O-C 3.42Å; C216-K220 WeakPolarHBondContact O-CA 3.45Å; C216-K220 PolarHBondContact O-N 3.21Å; H217-K220 PolarHBondContact O-N 2.79Å; K218-K220 VanDerWaalsContact C-N 3.31Å; K220-P222 WeakPolarHBondContact O-CD 3.3Å
221	L	94.1	Very high	94.4	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	20%	0.202	C	C	.	.			trans	-77.6	120.8	172.1	177.2	61.6	0	0	0	108.9	L58 L60 V184 I192 A195 C216 V219	L58-L221 HydrophobicContact CD2-CD1 4.49Å; L58-L221 HydrophobicContact CD2-CD2 4.1Å; L60-L221 HydrophobicContact CD1-CD2 4.04Å; V184-L221 HydrophobicContact CG2-CD2 4.04Å; I192-L221 HydrophobicContact CB-CD1 3.98Å; I192-L221 HydrophobicContact CD1-CD1 3.99Å; I192-L221 HydrophobicContact CG2-CD1 3.49Å; I192-L221 VanDerWaalsContact CG2-CD1 3.49Å; A195-L221 HydrophobicContact CB-CD2 3.86Å; A195-L221 HydrophobicContact CB-CG 4.1Å; C216-L221 HydrophobicContact CB-CB 4.28Å; C216-L221 PolarHBondContact O-N 3.41Å; V219-L221 HydrophobicContact CG2-CB 3.75Å; V219-L221 PolarHBondContact O-N 3.23Å
222	P	95.6	Very high	94.2	Very high	51 Å²	51	36 Å²	36	33%	0.331	18%	0.178	S	C	.	.			trans	-60.5	145.7	175.3	-22.4	33.8	0	0	0	111.1	D193 G194 A195 K220	D193-P222 WeakPolarHBondContact O-CB 3.48Å; G194-P222 CarbonylContact C-O 3.58Å; G194-P222 WeakPolarHBondContact CA-O 3.48Å; A195-P222 PolarHBondContact N-O 3.31Å; K220-P222 WeakPolarHBondContact O-CD 3.3Å
223	I	97.4	Very high	94	Very high	25 Å²	25	38.6 Å²	38.6	13%	0.128	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.2	177.4	-56.9	173.4	0	0	0	107.3	I197 I213 C216 I261	I197-I223 HydrophobicContact CD1-CD1 4.23Å; I197-I223 HydrophobicContact CD1-CG1 4.39Å; I197-I223 HydrophobicContact CD1-CG2 3.98Å; I197-I223 HydrophobicContact CG1-CG2 4.45Å; I213-I223 HydrophobicContact CB-CD1 4.44Å; I213-I223 HydrophobicContact CG1-CD1 4.34Å; I213-I223 HydrophobicContact CG2-CD1 4.07Å; C216-I223 HydrophobicContact CB-CD1 3.75Å; C216-I223 HydrophobicContact CB-CG1 3.74Å; I223-I261 HydrophobicContact CD1-CD1 3.86Å; I223-I261 HydrophobicContact CG2-CG2 3.78Å
224	I	98.3	Very high	93.5	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-45.5	173.9	-55	-174.1	0	0	0	108.8	I57 A195 V196 L264 I303 F306	I57-I224 HydrophobicContact CD1-CD1 4.45Å; I57-I224 HydrophobicContact CG1-CD1 4.12Å; I57-I224 HydrophobicContact CG2-CD1 3.93Å; A195-I224 PolarHBondContact O-N 2.53Å; V196-I224 HydrophobicContact CG2-CB 4.15Å; V196-I224 HydrophobicContact CG2-CD1 4.14Å; V196-I224 HydrophobicContact CG2-CG2 4.42Å; I224-L264 HydrophobicContact CG2-CD1 4.14Å; I224-L264 HydrophobicContact CG2-CD2 4.28Å; I224-I303 HydrophobicContact CD1-CG2 4.42Å; I224-I303 HydrophobicContact CG2-CG1 4.16Å; I224-F306 HydrophobicContact CB-CD1 4.28Å; I224-F306 HydrophobicContact CB-CE1 4.45Å; I224-F306 HydrophobicContact CB-CG 4.37Å; I224-F306 HydrophobicContact CD1-CD1 4.08Å; I224-F306 HydrophobicContact CD1-CE1 4.36Å; I224-F306 HydrophobicContact CG1-CD1 3.72Å; I224-F306 HydrophobicContact CG1-CE1 3.7Å; I224-F306 HydrophobicContact CG1-CG 4.32Å; I224-F306 HydrophobicContact CG1-CZ 4.24Å; I224-F306 HydrophobicContact CG2-CB 3.91Å; I224-F306 HydrophobicContact CG2-CD1 4Å; I224-F306 HydrophobicContact CG2-CD2 4.19Å; I224-F306 HydrophobicContact CG2-CG 3.76Å
225	G	98.3	Very high	93	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-172.3	171.1	0	0	0	0	0	113.1	I197 P262	I197-G225 PolarHBondContact N-O 3.07Å; G225-P262 CarbonylContact C-O 3.51Å; G225-P262 WeakPolarHBondContact CA-O 3.35Å
226	V	98.4	Very high	92.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.9	-179	179.5	0	0	0	0	110	I197 T199 I213 A252 M255 I261 P262 L263 L264	I197-V226 HydrophobicContact CB-CG2 4.4Å; I197-V226 CarbonylContact O-C 3.57Å; I197-V226 VanDerWaalsContact O-CA 3.3Å; I197-V226 WeakPolarHBondContact O-CA 3.49Å; T199-V226 HydrophobicContact CG2-CG1 3.85Å; I213-V226 HydrophobicContact CD1-CG2 4.49Å; V226-A252 HydrophobicContact CG1-CB 4.48Å; V226-M255 HydrophobicContact CG1-CE 4.11Å; V226-M255 HydrophobicContact CG2-CE 4.35Å; V226-I261 HydrophobicContact CG2-CG2 3.93Å; V226-P262 PolarHBondContact N-O 3.5Å; V226-L263 HydrophobicContact CB-CD1 4.43Å; V226-L263 HydrophobicContact CG1-CD1 4.46Å; V226-L264 PolarHBondContact O-N 3.15Å
227	V	98.3	Very high	91.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.6	169.3	174.6	0	0	0	0	109	F71 V196 I197 L198 T199 N229 L264 V267 I299	F71-V227 HydrophobicContact CD2-CG1 4.14Å; F71-V227 HydrophobicContact CE2-CB 4.34Å; F71-V227 HydrophobicContact CE2-CG1 3.84Å; F71-V227 HydrophobicContact CE2-CG2 3.99Å; F71-V227 HydrophobicContact CZ-CG2 3.86Å; V196-V227 HydrophobicContact CG1-CG2 3.85Å; I197-V227 PolarHBondContact O-N 3.29Å; L198-V227 HydrophobicContact CD1-CB 3.83Å; L198-V227 HydrophobicContact CD1-CG1 3.84Å; L198-V227 HydrophobicContact CD2-CB 4.5Å; T199-V227 PolarHBondContact N-O 2.87Å; V227-N229 PolarHBondContact O-N 2.95Å; V227-L264 HydrophobicContact CG2-CB 3.94Å; V227-L264 HydrophobicContact CG2-CD1 4.09Å; V227-V267 HydrophobicContact CG1-CG2 4.14Å; V227-I299 HydrophobicContact CG1-CD1 3.92Å; V227-I299 HydrophobicContact CG2-CD1 4.28Å; V227-I299 HydrophobicContact CG2-CG2 3.83Å
228	E	96.3	Very high	91.3	Very high	2 Å²	2	51 Å²	51	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	100.2	172.2	-170.5	176.5	-108.7	0	0	109.4	T199 P201 A252 G265 R266 V267	T199-E228 HydrophobicContact CG2-CB 4.16Å; T199-E228 HydrophobicContact CG2-CG 4.24Å; P201-E228 HydrophobicContact CG-CG 3.97Å; E228-A252 HydrophobicContact CB-CB 3.77Å; E228-A252 HydrophobicContact CG-CB 3.96Å; E228-A252 WeakPolarHBondContact OE1-CB 3.46Å; E228-A252 PolarHBondContact OE1-N 3.29Å; E228-G265 PolarHBondContact N-O 3.27Å; E228-G265 VanDerWaalsContact N-O 3.09Å; E228-R266 HydrophobicContact CB-CB 4.33Å; E228-R266 HydrophobicContact CB-CG 4.16Å; E228-R266 CarbonylContact O-C 3.6Å; E228-R266 WeakPolarHBondContact O-CA 3.46Å; E228-R266 WeakPolarHBondContact OE2-CD 3.32Å; E228-R266 IonicContact OE2-CZ 2.75Å; E228-R266 IonicContact OE2-NE 3.76Å; E228-R266 IonicContact OE2-NH1 3.1Å; E228-R266 PolarHBondContact OE2-NH1 3.41Å; E228-V267 PolarHBondContact O-N 3.34Å
229	N	94.8	Very high	90.9	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.043	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	159.7	177.3	-163.8	17	0	0	0	111.4	V66 L198 T199 P201 V227 S231 V267	V66-N229 PolarHBondContact O-ND2 3Å; L198-N229 HydrophobicContact CD1-CB 4.26Å; T199-N229 PolarHBondContact O-N 3.02Å; P201-N229 WeakPolarHBondContact CD-O 3.34Å; V227-N229 PolarHBondContact O-N 2.95Å; N229-S231 PolarHBondContact O-N 3.47Å; N229-V267 CarbonylContact C-O 3.3Å
230	M	90.6	Very high	90.7	Very high	53 Å²	53	55.3 Å²	55.3	26%	0.261	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.6	35.3	179.5	-52.4	-177	-173.8	0	0	113.2	T200 G232 V267 L269	T200-M230 HydrophobicContact CG2-CB 4.36Å; T200-M230 HydrophobicContact CG2-CG 4.39Å; T200-M230 HydrophobicContact CG2-SD 4.25Å; M230-G232 PolarHBondContact O-N 3.05Å; M230-V267 WeakPolarHBondContact CA-O 3.29Å; M230-V267 PolarHBondContact N-O 3Å; M230-L269 HydrophobicContact CB-CD2 3.63Å; M230-L269 HydrophobicContact CB-CG 3.86Å; M230-L269 HydrophobicContact CG-CD2 3.66Å; M230-L269 HydrophobicContact CG-CG 4.41Å; M230-L269 HydrophobicContact SD-CD2 4.15Å
231	S	86.1	Confident	90.4	Very high	11 Å²	11	51.8 Å²	51.8	8%	0.077	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	96	-176.7	66.7	0	0	0	0	111.6	N229 R266 V267 P268	N229-S231 PolarHBondContact O-N 3.47Å; S231-R266 WeakPolarHBondContact OG-CB 3.45Å; S231-V267 PolarHBondContact N-O 3.23Å; S231-V267 PolarHBondContact OG-N 3.24Å; S231-V267 PolarHBondContact OG-O 3.33Å; S231-P268 VanDerWaalsContact O-CA 3.31Å; S231-P268 WeakPolarHBondContact O-CA 3.13Å
232	G	88.2	Confident	90.2	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.8	-179.8	-176.9	0	0	0	0	0	113	M230 S242 L269	M230-G232 PolarHBondContact O-N 3.05Å; G232-S242 CarbonylContact C-O 3.54Å; G232-S242 VanDerWaalsContact CA-O 3.3Å; G232-S242 WeakPolarHBondContact CA-O 3.34Å; G232-L269 VanDerWaalsContact O-CB 3.27Å; G232-L269 WeakPolarHBondContact O-CB 3.24Å; G232-L269 PolarHBondContact O-N 3.09Å
233	F	89.8	Confident	89.8	Confident	55 Å²	55	55.7 Å²	55.7	24%	0.241	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	127.5	-178.3	169.7	-103.5	0	0	0	109.1	C235 E241 S242 I244 L269 P271	F233-C235 HydrophobicContact CE1-CB 4.12Å; F233-E241 CarbonylContact O-C 3.56Å; F233-E241 WeakPolarHBondContact O-CA 3.4Å; F233-S242 PolarHBondContact N-O 3.26Å; F233-S242 PolarHBondContact O-N 3.48Å; F233-I244 HydrophobicContact CB-CD1 3.98Å; F233-I244 HydrophobicContact CB-CG1 3.63Å; F233-L269 HydrophobicContact CB-CB 4.24Å; F233-L269 HydrophobicContact CD2-CB 4.16Å; F233-L269 WeakPolarHBondContact CD2-O 3.43Å; F233-P271 HydrophobicContact CE2-CG 4.15Å
234	I	85.6	Confident	89.3	Confident	49 Å²	49	58.4 Å²	58.4	25%	0.251	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.1	176.6	-63.1	167.9	0	0	0	108	P236 E241 P291	I234-P236 WeakPolarHBondContact O-CD 3.49Å; I234-E241 HydrophobicContact CG1-CB 4.43Å; I234-E241 HydrophobicContact CG1-CG 4.24Å; I234-P291 HydrophobicContact CD1-CB 3.43Å; I234-P291 VanDerWaalsContact CD1-CB 3.43Å; I234-P291 HydrophobicContact CD1-CG 3.6Å; I234-P291 HydrophobicContact CG2-CG 4.38Å
235	C	82.3	Confident	88.7	Confident	32 Å²	32	62 Å²	62	22%	0.216	31%	0.31	C	S	.	.			trans	-62.5	123.2	-179.3	-180	0	0	0	0	110.3	F233 K237 C238 K239 K240	F233-C235 HydrophobicContact CE1-CB 4.12Å; C235-K237 PolarHBondContact O-N 3.04Å; C235-K237 VanDerWaalsContact O-N 3.15Å; C235-C238 VanDerWaalsContact CB-SG 3.52Å; C235-K239 VanDerWaalsContact O-CA 3.23Å; C235-K239 WeakPolarHBondContact O-CA 3.36Å; C235-K239 PolarHBondContact O-N 3.24Å; C235-K240 PolarHBondContact N-O 3.41Å
236	P	77.8	Confident	88	Confident	94 Å²	94	66.2 Å²	66.2	61%	0.61	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.2	-177	23.9	-33.4	0	0	0	112.6	I234 K239	I234-P236 WeakPolarHBondContact O-CD 3.49Å; P236-K239 PolarHBondContact O-NZ 3.26Å
237	K	83	Confident	87.4	Confident	200 Å²	200	68.6 Å²	68.6	87%	0.87	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-49	-178	-173.1	177.1	-178.7	178.8	0	113.6	C235	C235-K237 PolarHBondContact O-N 3.04Å; C235-K237 VanDerWaalsContact O-N 3.15Å
238	C	86.4	Confident	86.8	Confident	82 Å²	82	74.1 Å²	74.1	55%	0.554	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-2.2	-173.9	70.4	0	0	0	0	114.5	C235 K240	C235-C238 VanDerWaalsContact CB-SG 3.52Å; C238-K240 PolarHBondContact O-N 2.95Å
239	K	83.5	Confident	86.3	Confident	151 Å²	151	77.4 Å²	77.4	66%	0.657	41%	0.408	S	S	*	.			trans	58.7	6.6	-178.9	-51.8	-56.4	-173.2	-175.7	0	115.4	C235 P236	C235-K239 VanDerWaalsContact O-CA 3.23Å; C235-K239 WeakPolarHBondContact O-CA 3.36Å; C235-K239 PolarHBondContact O-N 3.24Å; P236-K239 PolarHBondContact O-NZ 3.26Å
240	K	87	Confident	85.8	Confident	150 Å²	150	78.9 Å²	78.9	65%	0.652	43%	0.425	S	S	*	.			trans	-71.7	132.6	174.2	-169.2	174.6	-179.1	-179.4	0	109.9	C235 C238	C235-K240 PolarHBondContact N-O 3.41Å; C238-K240 PolarHBondContact O-N 2.95Å
241	E	86.8	Confident	85.8	Confident	113 Å²	113	76.4 Å²	76.4	53%	0.528	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.7	171.8	-166.2	-175	157.1	0	0	110.6	F233 I234 Q243	F233-E241 CarbonylContact O-C 3.56Å; F233-E241 WeakPolarHBondContact O-CA 3.4Å; I234-E241 HydrophobicContact CG1-CB 4.43Å; I234-E241 HydrophobicContact CG1-CG 4.24Å; E241-Q243 PolarHBondContact OE1-NE2 3.24Å
242	S	89.7	Confident	86.2	Confident	52 Å²	52	75.9 Å²	75.9	36%	0.364	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130	173.8	-60.3	0	0	0	0	109.7	G232 F233 I244	G232-S242 CarbonylContact C-O 3.54Å; G232-S242 VanDerWaalsContact CA-O 3.3Å; G232-S242 WeakPolarHBondContact CA-O 3.34Å; F233-S242 PolarHBondContact N-O 3.26Å; F233-S242 PolarHBondContact O-N 3.48Å; S242-I244 PolarHBondContact O-N 3.24Å
243	Q	88.4	Confident	86.5	Confident	89 Å²	89	80 Å²	80	42%	0.416	43%	0.428	S	S	.	.			trans	-83.5	96.6	175.2	-69.4	-65.7	-26.7	0	0	109.2	E241 F245	E241-Q243 PolarHBondContact OE1-NE2 3.24Å; Q243-F245 VanDerWaalsContact C-N 3.35Å
244	I	86.6	Confident	86.7	Confident	83 Å²	83	78.5 Å²	78.5	43%	0.426	43%	0.426	S	S	.	.	S	Bend	trans	-68.3	-38.3	-179.3	-55	-56.5	0	0	0	111	F233 S242 P246 L269	F233-I244 HydrophobicContact CB-CD1 3.98Å; F233-I244 HydrophobicContact CB-CG1 3.63Å; S242-I244 PolarHBondContact O-N 3.24Å; I244-P246 WeakPolarHBondContact O-CD 3.13Å; I244-L269 HydrophobicContact CB-CD1 4.1Å; I244-L269 HydrophobicContact CG1-CD1 3.9Å; I244-L269 HydrophobicContact CG2-CD1 4.38Å
245	F	84.7	Confident	87.2	Confident	76 Å²	76	76.2 Å²	76.2	33%	0.333	41%	0.414	S	S	.	.	S	Bend	trans	-122.5	80.6	179	-57.3	-63.3	0	0	0	109	P201 Q202 Q243 L269	P201-F245 HydrophobicContact CB-CB 4.36Å; P201-F245 WeakPolarHBondContact CB-O 3.46Å; Q202-F245 HydrophobicContact CG-CB 4.12Å; Q202-F245 HydrophobicContact CG-CD1 4.18Å; Q202-F245 HydrophobicContact CG-CG 4.21Å; Q243-F245 VanDerWaalsContact C-N 3.35Å; F245-L269 HydrophobicContact CE2-CD1 4.26Å
246	P	84.5	Confident	87.9	Confident	90 Å²	90	75 Å²	75	58%	0.584	41%	0.406	S	S	*	.			trans	-63.9	129.7	-177.3	25.7	-32.9	0	0	0	110.1	I244	I244-P246 WeakPolarHBondContact O-CD 3.13Å
247	P	85.4	Confident	88.8	Confident	49 Å²	49	76.9 Å²	76.9	32%	0.318	41%	0.407	S	S	.	.			trans	-69.5	136	177.5	27.8	-33.2	0	0	0	110.4
248	T	86.3	Confident	89.4	Confident	116 Å²	116	72.9 Å²	72.9	71%	0.712	39%	0.394	S	S	*	.	S	Bend	trans	-89.5	-16.6	178.3	47.5	0	0	0	0	113.4
249	T	84.3	Confident	89.8	Confident	71 Å²	71	72 Å²	72	44%	0.436	38%	0.384	S	S	.	.	S	Bend	trans	-130.6	15.7	-170.4	53.5	0	0	0	0	112.5	E203 G251 A254	E203-T249 WeakPolarHBondContact OE2-CB 3.28Å; E203-T249 VanDerWaalsContact OE2-CG2 3.24Å; E203-T249 WeakPolarHBondContact OE2-CG2 3.37Å; E203-T249 PolarHBondContact OE2-OG1 2.79Å; T249-G251 VanDerWaalsContact C-N 3.35Å; T249-A254 VanDerWaalsContact O-CB 3.22Å; T249-A254 WeakPolarHBondContact O-CB 3.3Å
250	G	85.7	Confident	90.5	Very high	39 Å²	39	73.9 Å²	73.9	40%	0.402	39%	0.392	S	S	.	.			trans	86	0.7	-174	0	0	0	0	0	114.9	A254	G250-A254 PolarHBondContact O-N 3.43Å
251	G	90.4	Very high	91	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	73.4	-155	168.7	0	0	0	0	0	113.2	T249 E253 A254 M255	T249-G251 VanDerWaalsContact C-N 3.35Å; G251-E253 PolarHBondContact O-N 3.39Å; G251-A254 PolarHBondContact O-N 2.88Å; G251-M255 PolarHBondContact O-N 3.19Å
252	A	93.6	Very high	91.5	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.5	-30.7	177.8	0	0	0	0	0	112.5	T199 L206 V226 E228 M255 C256 L263	T199-A252 HydrophobicContact CG2-CB 3.77Å; L206-A252 HydrophobicContact CD2-CB 4.2Å; V226-A252 HydrophobicContact CG1-CB 4.48Å; E228-A252 HydrophobicContact CB-CB 3.77Å; E228-A252 HydrophobicContact CG-CB 3.96Å; E228-A252 WeakPolarHBondContact OE1-CB 3.46Å; E228-A252 PolarHBondContact OE1-N 3.29Å; A252-M255 PolarHBondContact O-N 3Å; A252-C256 WeakPolarHBondContact O-CB 3.34Å; A252-C256 PolarHBondContact O-N 3.05Å; A252-C256 PolarHBondContact O-SG 3.42Å; A252-L263 HydrophobicContact CB-CD1 3.93Å
253	E	94.5	Very high	91.9	Very high	89 Å²	89	64.9 Å²	64.9	42%	0.416	35%	0.354	S	S	.	.	H	α-helix	trans	-64	-50.8	-179.6	-179.2	166.9	-157.7	0	0	112.4	G251 M255 C256 Q257 L263 R266	G251-E253 PolarHBondContact O-N 3.39Å; E253-M255 VanDerWaalsContact C-N 3.34Å; E253-M255 PolarHBondContact O-N 3.08Å; E253-C256 PolarHBondContact O-N 3.26Å; E253-Q257 WeakPolarHBondContact O-CG 3.24Å; E253-Q257 PolarHBondContact O-N 3.37Å; E253-L263 HydrophobicContact CB-CD2 4.01Å; E253-R266 IonicContact OE2-CZ 3.72Å; E253-R266 IonicContact OE2-NH2 3.36Å; E253-R266 PolarHBondContact OE2-NH2 3.07Å
254	A	94.9	Very high	92.3	Very high	23 Å²	23	61 Å²	61	19%	0.19	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-44.5	175.9	0	0	0	0	0	111.4	T249 G250 G251 C256 Q257 D258	T249-A254 VanDerWaalsContact O-CB 3.22Å; T249-A254 WeakPolarHBondContact O-CB 3.3Å; G250-A254 PolarHBondContact O-N 3.43Å; G251-A254 PolarHBondContact O-N 2.88Å; A254-C256 PolarHBondContact O-N 3.21Å; A254-Q257 PolarHBondContact O-N 3.07Å; A254-D258 VanDerWaalsContact O-CG 3.25Å; A254-D258 PolarHBondContact O-N 3.27Å
255	M	95.6	Very high	92.9	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-58.6	-44.8	175.8	175.9	-171.6	75.1	0	0	112.5	L206 V209 R210 I213 V226 G251 A252 E253 D258 L259	L206-M255 HydrophobicContact CB-SD 4.17Å; L206-M255 HydrophobicContact CD2-CE 4.04Å; L206-M255 HydrophobicContact CD2-SD 3.93Å; V209-M255 HydrophobicContact CB-CE 4.39Å; V209-M255 HydrophobicContact CB-SD 4.28Å; V209-M255 HydrophobicContact CG1-CE 3.53Å; V209-M255 HydrophobicContact CG1-SD 3.9Å; R210-M255 HydrophobicContact CG-CG 4.32Å; R210-M255 HydrophobicContact CG-SD 4.05Å; I213-M255 HydrophobicContact CD1-CE 4.46Å; V226-M255 HydrophobicContact CG1-CE 4.11Å; V226-M255 HydrophobicContact CG2-CE 4.35Å; G251-M255 PolarHBondContact O-N 3.19Å; A252-M255 PolarHBondContact O-N 3Å; E253-M255 VanDerWaalsContact C-N 3.34Å; E253-M255 PolarHBondContact O-N 3.08Å; M255-D258 PolarHBondContact O-N 3.13Å; M255-L259 HydrophobicContact CG-CD1 3.81Å; M255-L259 WeakPolarHBondContact O-CB 3.44Å; M255-L259 WeakPolarHBondContact O-CG 3.48Å; M255-L259 PolarHBondContact O-N 3.07Å
256	C	96.8	Very high	93.4	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.041	32%	0.323	C	S	.	.	H	α-helix	trans	-65.3	-39.9	179.8	-74.9	0	0	0	0	111.6	A252 E253 A254 K260 I261 L263	A252-C256 WeakPolarHBondContact O-CB 3.34Å; A252-C256 PolarHBondContact O-N 3.05Å; A252-C256 PolarHBondContact O-SG 3.42Å; E253-C256 PolarHBondContact O-N 3.26Å; A254-C256 PolarHBondContact O-N 3.21Å; C256-K260 WeakPolarHBondContact O-CA 3.44Å; C256-K260 PolarHBondContact O-N 3.47Å; C256-I261 VanDerWaalsContact CB-O 3.27Å; C256-I261 WeakPolarHBondContact CB-O 3.35Å; C256-I261 PolarHBondContact O-N 3Å; C256-L263 HydrophobicContact CB-CB 4.17Å
257	Q	96.8	Very high	93.9	Very high	134 Å²	134	53.8 Å²	53.8	63%	0.626	30%	0.295	S	S	*	.	H	α-helix	trans	-62.6	-48.2	174.1	-71.4	173.7	5.7	0	0	111.6	E253 A254 L259 K260	E253-Q257 WeakPolarHBondContact O-CG 3.24Å; E253-Q257 PolarHBondContact O-N 3.37Å; A254-Q257 PolarHBondContact O-N 3.07Å; Q257-L259 VanDerWaalsContact C-N 3.33Å; Q257-L259 PolarHBondContact O-N 2.88Å; Q257-K260 PolarHBondContact O-N 2.96Å
258	D	95.8	Very high	94.4	Very high	115 Å²	115	52.2 Å²	52.2	62%	0.615	29%	0.285	S	S	*	.	H	α-helix	trans	-60.2	-42.9	179.7	-70.4	-20.1	0	0	0	112.2	A254 M255 K260	A254-D258 VanDerWaalsContact O-CG 3.25Å; A254-D258 PolarHBondContact O-N 3.27Å; M255-D258 PolarHBondContact O-N 3.13Å; D258-K260 VanDerWaalsContact C-N 3.35Å
259	L	95.7	Very high	94.6	Very high	64 Å²	64	49.1 Å²	49.1	34%	0.335	26%	0.263	S	S	.	.	H	α-helix	trans	-88.1	-3.8	-177.3	-61.3	177.4	0	0	0	113.3	R210 I213 M255 Q257 I261	R210-L259 HydrophobicContact CG-CD1 4.21Å; I213-L259 HydrophobicContact CD1-CD1 3.58Å; I213-L259 HydrophobicContact CG2-CD1 4.32Å; M255-L259 HydrophobicContact CG-CD1 3.81Å; M255-L259 WeakPolarHBondContact O-CB 3.44Å; M255-L259 WeakPolarHBondContact O-CG 3.48Å; M255-L259 PolarHBondContact O-N 3.07Å; Q257-L259 VanDerWaalsContact C-N 3.33Å; Q257-L259 PolarHBondContact O-N 2.88Å; L259-I261 VanDerWaalsContact C-N 3.32Å; L259-I261 HydrophobicContact CB-CD1 4Å; L259-I261 HydrophobicContact CB-CG1 4.34Å; L259-I261 PolarHBondContact O-N 2.58Å
260	K	96.7	Very high	95	Very high	190 Å²	190	47.2 Å²	47.2	83%	0.826	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	44.2	-177	-54.3	178.4	-178.7	178.6	0	112.8	C256 Q257 D258	C256-K260 WeakPolarHBondContact O-CA 3.44Å; C256-K260 PolarHBondContact O-N 3.47Å; Q257-K260 PolarHBondContact O-N 2.96Å; D258-K260 VanDerWaalsContact C-N 3.35Å
261	I	97	Very high	95.2	Very high	16 Å²	16	49.6 Å²	49.6	8%	0.082	26%	0.259	C	S	.	.			trans	-114	141.7	178.3	-69.3	167.4	0	0	0	109.1	I213 I223 V226 C256 L259 L263	I213-I261 HydrophobicContact CB-CD1 4.16Å; I213-I261 HydrophobicContact CD1-CD1 3.71Å; I213-I261 HydrophobicContact CG1-CD1 3.79Å; I213-I261 HydrophobicContact CG2-CD1 3.29Å; I223-I261 HydrophobicContact CD1-CD1 3.86Å; I223-I261 HydrophobicContact CG2-CG2 3.78Å; V226-I261 HydrophobicContact CG2-CG2 3.93Å; C256-I261 VanDerWaalsContact CB-O 3.27Å; C256-I261 WeakPolarHBondContact CB-O 3.35Å; C256-I261 PolarHBondContact O-N 3Å; L259-I261 VanDerWaalsContact C-N 3.32Å; L259-I261 HydrophobicContact CB-CD1 4Å; L259-I261 HydrophobicContact CB-CG1 4.34Å; L259-I261 PolarHBondContact O-N 2.58Å; I261-L263 PolarHBondContact O-N 2.93Å
262	P	97.6	Very high	95.3	Very high	70 Å²	70	53.2 Å²	53.2	46%	0.455	28%	0.278	S	S	.	.			trans	-63.6	132.3	177.3	-22.4	34.1	0	0	0	112.4	G225 V226	G225-P262 CarbonylContact C-O 3.51Å; G225-P262 WeakPolarHBondContact CA-O 3.35Å; V226-P262 PolarHBondContact N-O 3.5Å
263	L	98.1	Very high	95.4	Very high	40 Å²	40	54 Å²	54	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	108.8	161.7	-177.9	69.1	0	0	0	108.1	V226 A252 E253 C256 I261 G265 R266 R302	V226-L263 HydrophobicContact CB-CD1 4.43Å; V226-L263 HydrophobicContact CG1-CD1 4.46Å; A252-L263 HydrophobicContact CB-CD1 3.93Å; E253-L263 HydrophobicContact CB-CD2 4.01Å; C256-L263 HydrophobicContact CB-CB 4.17Å; I261-L263 PolarHBondContact O-N 2.93Å; L263-G265 VanDerWaalsContact C-N 3.33Å; L263-R266 HydrophobicContact CD2-CG 4.4Å; L263-R302 PolarHBondContact O-NH1 3.09Å
264	L	98.4	Very high	95.3	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-34.4	-177.8	-64	176.5	0	0	0	111.5	V196 I224 V226 V227 I299 R302 I303	V196-L264 HydrophobicContact CG1-CD1 4.02Å; V196-L264 HydrophobicContact CG2-CD1 4.2Å; I224-L264 HydrophobicContact CG2-CD1 4.14Å; I224-L264 HydrophobicContact CG2-CD2 4.28Å; V226-L264 PolarHBondContact O-N 3.15Å; V227-L264 HydrophobicContact CG2-CB 3.94Å; V227-L264 HydrophobicContact CG2-CD1 4.09Å; L264-I299 HydrophobicContact CB-CG1 4.5Å; L264-I299 HydrophobicContact CB-CG2 4.18Å; L264-R302 HydrophobicContact CD2-CB 4.18Å; L264-R302 WeakPolarHBondContact O-CD 3.23Å; L264-R302 PolarHBondContact O-NH1 3.35Å; L264-I303 HydrophobicContact CD1-CD1 4.33Å; L264-I303 HydrophobicContact CD1-CG1 3.97Å
265	G	97.3	Very high	95.3	Very high	16 Å²	16	55.6 Å²	55.6	17%	0.165	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	-175.4	176.5	0	0	0	0	0	112.1	E228 L263	E228-G265 PolarHBondContact N-O 3.27Å; E228-G265 VanDerWaalsContact N-O 3.09Å; L263-G265 VanDerWaalsContact C-N 3.33Å
266	R	96.3	Very high	95.3	Very high	81 Å²	81	55.6 Å²	55.6	31%	0.306	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.6	178.4	-42.5	-177.3	177.5	-149.1	14.5	109.4	E228 S231 E253 L263 A295	E228-R266 HydrophobicContact CB-CB 4.33Å; E228-R266 HydrophobicContact CB-CG 4.16Å; E228-R266 CarbonylContact O-C 3.6Å; E228-R266 WeakPolarHBondContact O-CA 3.46Å; E228-R266 WeakPolarHBondContact OE2-CD 3.32Å; E228-R266 IonicContact OE2-CZ 2.75Å; E228-R266 IonicContact OE2-NE 3.76Å; E228-R266 IonicContact OE2-NH1 3.1Å; E228-R266 PolarHBondContact OE2-NH1 3.41Å; S231-R266 WeakPolarHBondContact OG-CB 3.45Å; E253-R266 IonicContact OE2-CZ 3.72Å; E253-R266 IonicContact OE2-NH2 3.36Å; E253-R266 PolarHBondContact OE2-NH2 3.07Å; L263-R266 HydrophobicContact CD2-CG 4.4Å; R266-A295 WeakPolarHBondContact O-CB 3.46Å
267	V	95.9	Very high	95.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.2	-179.2	-178.8	0	0	0	0	108.3	V227 E228 N229 M230 S231 I273 A292 A295 Y296 I299	V227-V267 HydrophobicContact CG1-CG2 4.14Å; E228-V267 PolarHBondContact O-N 3.34Å; N229-V267 CarbonylContact C-O 3.3Å; M230-V267 WeakPolarHBondContact CA-O 3.29Å; M230-V267 PolarHBondContact N-O 3Å; S231-V267 PolarHBondContact N-O 3.23Å; S231-V267 PolarHBondContact OG-N 3.24Å; S231-V267 PolarHBondContact OG-O 3.33Å; V267-I273 HydrophobicContact CG1-CD1 4.35Å; V267-A292 HydrophobicContact CG1-CB 4.35Å; V267-A295 HydrophobicContact CG2-CB 4.49Å; V267-Y296 HydrophobicContact CG1-CD2 4.17Å; V267-Y296 HydrophobicContact CG1-CE2 3.63Å; V267-Y296 HydrophobicContact CG2-CE1 4.49Å; V267-I299 HydrophobicContact CG2-CD1 3.59Å
268	P	94.1	Very high	95.1	Very high	15 Å²	15	54.8 Å²	54.8	10%	0.097	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	157.6	-180	29.6	-34.4	0	0	0	112.1	S231 D270 P291 A292	S231-P268 VanDerWaalsContact O-CA 3.31Å; S231-P268 WeakPolarHBondContact O-CA 3.13Å; P268-D270 PolarHBondContact O-N 2.92Å; P268-P291 HydrophobicContact CG-CB 4.43Å; P268-A292 HydrophobicContact CG-CB 4.05Å
269	L	92.4	Very high	95.1	Very high	51 Å²	51	54 Å²	54	27%	0.267	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	118.3	166.9	-75.6	165.4	0	0	0	109.4	M230 G232 F233 I244 F245	M230-L269 HydrophobicContact CB-CD2 3.63Å; M230-L269 HydrophobicContact CB-CG 3.86Å; M230-L269 HydrophobicContact CG-CD2 3.66Å; M230-L269 HydrophobicContact CG-CG 4.41Å; M230-L269 HydrophobicContact SD-CD2 4.15Å; G232-L269 VanDerWaalsContact O-CB 3.27Å; G232-L269 WeakPolarHBondContact O-CB 3.24Å; G232-L269 PolarHBondContact O-N 3.09Å; F233-L269 HydrophobicContact CB-CB 4.24Å; F233-L269 HydrophobicContact CD2-CB 4.16Å; F233-L269 WeakPolarHBondContact CD2-O 3.43Å; I244-L269 HydrophobicContact CB-CD1 4.1Å; I244-L269 HydrophobicContact CG1-CD1 3.9Å; I244-L269 HydrophobicContact CG2-CD1 4.38Å; F245-L269 HydrophobicContact CE2-CD1 4.26Å
270	D	92.1	Very high	95	Very high	31 Å²	31	51.7 Å²	51.7	17%	0.166	28%	0.276	C	S	.	.			trans	-129.3	115.7	170.8	-169.6	-22.9	0	0	0	109.4	P268 L272 I273 F283 S290 A292	P268-D270 PolarHBondContact O-N 2.92Å; D270-L272 PolarHBondContact O-N 3.43Å; D270-L272 VanDerWaalsContact O-N 3.11Å; D270-L272 VanDerWaalsContact OD1-CB 3.28Å; D270-L272 WeakPolarHBondContact OD1-CB 3.47Å; D270-L272 PolarHBondContact OD1-N 2.97Å; D270-I273 HydrophobicContact CB-CD1 3.9Å; D270-I273 HydrophobicContact CB-CG1 4.05Å; D270-I273 WeakPolarHBondContact O-CB 3.41Å; D270-I273 PolarHBondContact O-N 3.27Å; D270-F283 HydrophobicContact CB-CZ 4.4Å; D270-S290 WeakPolarHBondContact OD2-CB 3.38Å; D270-S290 PolarHBondContact OD2-OG 2.57Å; D270-A292 HydrophobicContact CB-CB 4Å
271	P	90	Very high	94.9	Very high	89 Å²	89	46.3 Å²	46.3	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-56.7	-24.7	176.9	-24.4	34	0	0	0	113.9	F233 I273 G274 K275	F233-P271 HydrophobicContact CE2-CG 4.15Å; P271-I273 VanDerWaalsContact C-N 3.28Å; P271-I273 PolarHBondContact O-N 2.97Å; P271-G274 PolarHBondContact O-N 3.35Å; P271-K275 PolarHBondContact O-N 2.97Å
272	L	92.5	Very high	94.8	Very high	78 Å²	78	46.2 Å²	46.2	41%	0.408	26%	0.255	S	S	.	.	H	α-helix	trans	-69.5	-25	178.7	-64.5	177.4	0	0	0	112.4	D270 K275 S276 F283 A287	D270-L272 PolarHBondContact O-N 3.43Å; D270-L272 VanDerWaalsContact O-N 3.11Å; D270-L272 VanDerWaalsContact OD1-CB 3.28Å; D270-L272 WeakPolarHBondContact OD1-CB 3.47Å; D270-L272 PolarHBondContact OD1-N 2.97Å; L272-K275 HydrophobicContact CD2-CD 4.28Å; L272-K275 PolarHBondContact O-N 3.08Å; L272-S276 WeakPolarHBondContact O-CB 3.35Å; L272-S276 PolarHBondContact O-N 3.07Å; L272-S276 PolarHBondContact O-OG 2.85Å; L272-F283 HydrophobicContact CB-CD2 4.39Å; L272-F283 HydrophobicContact CB-CE2 3.75Å; L272-A287 HydrophobicContact CB-CB 4.44Å; L272-A287 HydrophobicContact CD1-CB 3.92Å
273	I	94.7	Very high	94.6	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.082	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-47.4	173.2	-63.6	167.4	0	0	0	110.2	T70 V267 D270 P271 K275 S276 C277 F283 A292 Y296	T70-I273 HydrophobicContact CG2-CG2 3.53Å; V267-I273 HydrophobicContact CG1-CD1 4.35Å; D270-I273 HydrophobicContact CB-CD1 3.9Å; D270-I273 HydrophobicContact CB-CG1 4.05Å; D270-I273 WeakPolarHBondContact O-CB 3.41Å; D270-I273 PolarHBondContact O-N 3.27Å; P271-I273 VanDerWaalsContact C-N 3.28Å; P271-I273 PolarHBondContact O-N 2.97Å; I273-K275 VanDerWaalsContact C-N 3.31Å; I273-K275 PolarHBondContact O-N 3.44Å; I273-S276 PolarHBondContact O-N 2.9Å; I273-S276 PolarHBondContact O-OG 3.08Å; I273-C277 PolarHBondContact O-N 3.47Å; I273-C277 PolarHBondContact O-SG 2.83Å; I273-F283 HydrophobicContact CB-CD2 4.39Å; I273-F283 HydrophobicContact CB-CE2 4.4Å; I273-F283 HydrophobicContact CD1-CE1 4.39Å; I273-F283 HydrophobicContact CD1-CZ 4.31Å; I273-F283 HydrophobicContact CG1-CD1 4.09Å; I273-F283 HydrophobicContact CG1-CD2 3.79Å; I273-F283 HydrophobicContact CG1-CE1 3.84Å; I273-F283 HydrophobicContact CG1-CE2 3.53Å; I273-F283 HydrophobicContact CG1-CG 4.07Å; I273-F283 HydrophobicContact CG1-CZ 3.57Å; I273-A292 HydrophobicContact CD1-CB 3.98Å; I273-Y296 HydrophobicContact CD1-CE2 4.1Å
274	G	93.3	Very high	94.5	Very high	35 Å²	35	41.1 Å²	41.1	36%	0.361	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-43.8	177.5	0	0	0	0	0	111.1	P271 S276 C277 D278	P271-G274 PolarHBondContact O-N 3.35Å; G274-S276 PolarHBondContact O-N 3.13Å; G274-C277 WeakPolarHBondContact O-CB 3.37Å; G274-C277 PolarHBondContact O-N 3.35Å; G274-D278 PolarHBondContact O-N 2.99Å
275	K	94.4	Very high	94.3	Very high	110 Å²	110	46 Å²	46	48%	0.478	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-38.6	177.6	-171.4	-176.8	179.2	-171.6	0	112.9	P271 L272 I273 K279	P271-K275 PolarHBondContact O-N 2.97Å; L272-K275 HydrophobicContact CD2-CD 4.28Å; L272-K275 PolarHBondContact O-N 3.08Å; I273-K275 VanDerWaalsContact C-N 3.31Å; I273-K275 PolarHBondContact O-N 3.44Å; K275-K279 WeakPolarHBondContact O-CG 3Å; K275-K279 PolarHBondContact O-N 3.45Å
276	S	95.4	Very high	94.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	26%	0.264	C	S	.	.	H	α-helix	trans	-69.7	-40.8	178	68.8	0	0	0	0	111	L272 I273 G274 K279 G280 Q281	L272-S276 WeakPolarHBondContact O-CB 3.35Å; L272-S276 PolarHBondContact O-N 3.07Å; L272-S276 PolarHBondContact O-OG 2.85Å; I273-S276 PolarHBondContact O-N 2.9Å; I273-S276 PolarHBondContact O-OG 3.08Å; G274-S276 PolarHBondContact O-N 3.13Å; S276-K279 PolarHBondContact O-N 2.93Å; S276-G280 PolarHBondContact O-N 3.12Å; S276-Q281 WeakPolarHBondContact CB-O 3.26Å; S276-Q281 PolarHBondContact O-N 3.22Å
277	C	95.6	Very high	94.1	Very high	10 Å²	10	45.8 Å²	45.8	7%	0.068	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-46.3	173.2	-64.6	0	0	0	0	112.3	I102 I273 G274 K279 G280	I102-C277 HydrophobicContact CG1-CB 4.13Å; I102-C277 HydrophobicContact CG2-CB 4.22Å; I273-C277 PolarHBondContact O-N 3.47Å; I273-C277 PolarHBondContact O-SG 2.83Å; G274-C277 WeakPolarHBondContact O-CB 3.37Å; G274-C277 PolarHBondContact O-N 3.35Å; C277-K279 PolarHBondContact O-N 3.35Å; C277-G280 PolarHBondContact O-N 3.43Å; C277-G280 VanDerWaalsContact O-N 3.11Å
278	D	94.4	Very high	94	Very high	113 Å²	113	48.8 Å²	48.8	60%	0.604	27%	0.273	S	S	*	.	H	α-helix	trans	-64.7	-24.9	-179.3	-76.1	-27.3	0	0	0	112.9	G274	G274-D278 PolarHBondContact O-N 2.99Å
279	K	94.8	Very high	94	Very high	100 Å²	100	55.7 Å²	55.7	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-94.2	-9.2	175.9	-68.2	-179.4	-177.8	178	0	113.8	K275 S276 C277 Q281 E286	K275-K279 WeakPolarHBondContact O-CG 3Å; K275-K279 PolarHBondContact O-N 3.45Å; S276-K279 PolarHBondContact O-N 2.93Å; C277-K279 PolarHBondContact O-N 3.35Å; K279-Q281 HydrophobicContact CB-CB 4.47Å; K279-Q281 HydrophobicContact CB-CG 3.96Å; K279-E286 IonicContact NZ-OE2 3.74Å; K279-E286 PolarHBondContact NZ-OE2 3.29Å
280	G	95.1	Very high	94	Very high	15 Å²	15	53.9 Å²	53.9	16%	0.155	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	37.5	-172.8	0	0	0	0	0	114.3	I102 G104 S276 C277	I102-G280 WeakPolarHBondContact O-CA 3.14Å; G104-G280 VanDerWaalsContact CA-CA 3.44Å; G104-G280 VanDerWaalsContact N-CA 3.29Å; S276-G280 PolarHBondContact O-N 3.12Å; C277-G280 PolarHBondContact O-N 3.43Å; C277-G280 VanDerWaalsContact O-N 3.11Å
281	Q	93.8	Very high	94	Very high	77 Å²	77	55.4 Å²	55.4	36%	0.36	31%	0.312	S	S	.	.			trans	-120	148	-174.9	-65.8	-176.5	-42.8	0	0	112.1	S276 K279 F283 E286	S276-Q281 WeakPolarHBondContact CB-O 3.26Å; S276-Q281 PolarHBondContact O-N 3.22Å; K279-Q281 HydrophobicContact CB-CB 4.47Å; K279-Q281 HydrophobicContact CB-CG 3.96Å; Q281-F283 PolarHBondContact O-N 2.78Å; Q281-E286 HydrophobicContact CB-CG 4.14Å; Q281-E286 VanDerWaalsContact OE1-CD 3.25Å; Q281-E286 PolarHBondContact OE1-OE1 3.43Å; Q281-E286 PolarHBondContact OE1-OE2 3.29Å
282	S	94.1	Very high	94.3	Very high	14 Å²	14	51.2 Å²	51.2	10%	0.098	29%	0.285	C	S	.	.			trans	-63	121.2	173.6	176.8	0	0	0	0	111.5	F284 V285 E286	S282-F284 PolarHBondContact O-N 3.26Å; S282-F284 PolarHBondContact OG-N 3.24Å; S282-V285 PolarHBondContact O-N 2.9Å; S282-E286 PolarHBondContact O-N 3.18Å; S282-E286 VanDerWaalsContact O-N 3.13Å
283	F	95.1	Very high	94.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-29.6	175.9	177.3	-112.3	0	0	0	113.3	H74 D270 L272 I273 Q281 V285 E286 A287 A292 T293 Y296	H74-F283 WeakPolarHBondContact CD2-CB 3.47Å; H74-F283 WeakPolarHBondContact NE2-CB 3.5Å; D270-F283 HydrophobicContact CB-CZ 4.4Å; L272-F283 HydrophobicContact CB-CD2 4.39Å; L272-F283 HydrophobicContact CB-CE2 3.75Å; I273-F283 HydrophobicContact CB-CD2 4.39Å; I273-F283 HydrophobicContact CB-CE2 4.4Å; I273-F283 HydrophobicContact CD1-CE1 4.39Å; I273-F283 HydrophobicContact CD1-CZ 4.31Å; I273-F283 HydrophobicContact CG1-CD1 4.09Å; I273-F283 HydrophobicContact CG1-CD2 3.79Å; I273-F283 HydrophobicContact CG1-CE1 3.84Å; I273-F283 HydrophobicContact CG1-CE2 3.53Å; I273-F283 HydrophobicContact CG1-CG 4.07Å; I273-F283 HydrophobicContact CG1-CZ 3.57Å; Q281-F283 PolarHBondContact O-N 2.78Å; F283-V285 PolarHBondContact O-N 2.84Å; F283-E286 PolarHBondContact O-N 2.79Å; F283-A287 HydrophobicContact CD2-CB 4.02Å; F283-A287 HydrophobicContact CE2-CB 3.53Å; F283-A287 HydrophobicContact CZ-CB 3.92Å; F283-A287 PolarHBondContact O-N 3.49Å; F283-A292 HydrophobicContact CE1-CB 3.78Å; F283-A292 HydrophobicContact CZ-CB 3.85Å; F283-T293 WeakPolarHBondContact CE1-OG1 3.48Å; F283-Y296 HydrophobicContact CD1-CD2 4.43Å; F283-Y296 HydrophobicContact CE1-CD2 4.45Å
284	F	95.9	Very high	94.5	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-31.7	177.6	-60.1	-90.3	0	0	0	111.6	H74 H77 S282 P288 T293 Y296 R297 I300	H74-F284 HydrophobicContact CB-CE2 4.16Å; H74-F284 WeakPolarHBondContact O-CE2 3.42Å; H74-F284 WeakPolarHBondContact O-CZ 3.41Å; H77-F284 HydrophobicContact CB-CD2 4.13Å; H77-F284 HydrophobicContact CB-CE2 4.18Å; S282-F284 PolarHBondContact O-N 3.26Å; S282-F284 PolarHBondContact OG-N 3.24Å; F284-P288 WeakPolarHBondContact O-CA 3.17Å; F284-P288 WeakPolarHBondContact O-CB 3.25Å; F284-T293 HydrophobicContact CD1-CG2 3.67Å; F284-T293 HydrophobicContact CE1-CG2 4.27Å; F284-Y296 HydrophobicContact CZ-CG 4.2Å; F284-R297 HydrophobicContact CD1-CG 4.21Å; F284-R297 HydrophobicContact CE1-CG 3.93Å; F284-I300 HydrophobicContact CE1-CD1 4.16Å; F284-I300 HydrophobicContact CZ-CD1 3.77Å
285	V	93.9	Very high	94.7	Very high	111 Å²	111	49.1 Å²	49.1	67%	0.673	28%	0.277	S	S	*	.	H	α-helix	trans	-81.3	-44.1	175.7	179.4	0	0	0	0	111.3	S282 F283 A287 P288	S282-V285 PolarHBondContact O-N 2.9Å; F283-V285 PolarHBondContact O-N 2.84Å; V285-A287 PolarHBondContact O-N 2.96Å; V285-P288 WeakPolarHBondContact O-CD 3.38Å
286	E	94.3	Very high	94.9	Very high	83 Å²	83	43.9 Å²	43.9	39%	0.388	26%	0.255	S	S	.	.	H	α-helix	trans	-70.6	-29.3	-177.5	-72.1	-73.8	107.7	0	0	113	K279 Q281 S282 F283	K279-E286 IonicContact NZ-OE2 3.74Å; K279-E286 PolarHBondContact NZ-OE2 3.29Å; Q281-E286 HydrophobicContact CB-CG 4.14Å; Q281-E286 VanDerWaalsContact OE1-CD 3.25Å; Q281-E286 PolarHBondContact OE1-OE1 3.43Å; Q281-E286 PolarHBondContact OE1-OE2 3.29Å; S282-E286 PolarHBondContact O-N 3.18Å; S282-E286 VanDerWaalsContact O-N 3.13Å; F283-E286 PolarHBondContact O-N 2.79Å
287	A	94.1	Very high	95	Very high	9 Å²	9	49.1 Å²	49.1	7%	0.074	27%	0.274	C	S	.	.			trans	-144	59.1	-174.7	0	0	0	0	0	113.4	L272 F283 V285 D289 S290 T293	L272-A287 HydrophobicContact CB-CB 4.44Å; L272-A287 HydrophobicContact CD1-CB 3.92Å; F283-A287 HydrophobicContact CD2-CB 4.02Å; F283-A287 HydrophobicContact CE2-CB 3.53Å; F283-A287 HydrophobicContact CZ-CB 3.92Å; F283-A287 PolarHBondContact O-N 3.49Å; V285-A287 PolarHBondContact O-N 2.96Å; A287-D289 VanDerWaalsContact C-N 3.25Å; A287-D289 PolarHBondContact O-N 3.09Å; A287-S290 WeakPolarHBondContact O-CB 3.42Å; A287-S290 PolarHBondContact O-N 3.18Å; A287-T293 PolarHBondContact O-OG1 3.19Å
288	P	95.2	Very high	95.1	Very high	64 Å²	64	51.4 Å²	51.4	42%	0.416	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.9	-173.9	23.1	-34.5	0	0	0	113.7	F284 V285 T293	F284-P288 WeakPolarHBondContact O-CA 3.17Å; F284-P288 WeakPolarHBondContact O-CB 3.25Å; V285-P288 WeakPolarHBondContact O-CD 3.38Å; P288-T293 WeakPolarHBondContact O-CG2 3.44Å
289	D	92.5	Very high	95.3	Very high	159 Å²	159	46.1 Å²	46.1	85%	0.85	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	7.3	-177.9	-57.3	-47	0	0	0	113.4	A287	A287-D289 VanDerWaalsContact C-N 3.25Å; A287-D289 PolarHBondContact O-N 3.09Å
290	S	92.9	Very high	95.5	Very high	14 Å²	14	41.7 Å²	41.7	10%	0.098	24%	0.243	C	C	.	.			trans	-68.8	140.9	177.6	174	0	0	0	0	111.1	D270 A287 A292 T293 A294	D270-S290 WeakPolarHBondContact OD2-CB 3.38Å; D270-S290 PolarHBondContact OD2-OG 2.57Å; A287-S290 WeakPolarHBondContact O-CB 3.42Å; A287-S290 PolarHBondContact O-N 3.18Å; S290-A292 PolarHBondContact O-N 2.77Å; S290-A292 PolarHBondContact OG-N 2.94Å; S290-A292 VanDerWaalsContact OG-N 3.07Å; S290-T293 WeakPolarHBondContact O-CB 3.03Å; S290-T293 PolarHBondContact O-N 3.21Å; S290-A294 PolarHBondContact O-N 3.27Å
291	P	93.3	Very high	95.6	Very high	63 Å²	63	45.8 Å²	45.8	41%	0.409	26%	0.258	S	S	.	.	H	α-helix	trans	-53.4	-31.7	167.4	-26.1	35	0	0	0	113.7	I234 P268 A295	I234-P291 HydrophobicContact CD1-CB 3.43Å; I234-P291 VanDerWaalsContact CD1-CB 3.43Å; I234-P291 HydrophobicContact CD1-CG 3.6Å; I234-P291 HydrophobicContact CG2-CG 4.38Å; P268-P291 HydrophobicContact CG-CB 4.43Å; P291-A295 PolarHBondContact O-N 3.22Å
292	A	94.8	Very high	95.9	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-68.4	-37.7	175.8	0	0	0	0	0	111.8	V267 P268 D270 I273 F283 S290 A295 Y296	V267-A292 HydrophobicContact CG1-CB 4.35Å; P268-A292 HydrophobicContact CG-CB 4.05Å; D270-A292 HydrophobicContact CB-CB 4Å; I273-A292 HydrophobicContact CD1-CB 3.98Å; F283-A292 HydrophobicContact CE1-CB 3.78Å; F283-A292 HydrophobicContact CZ-CB 3.85Å; S290-A292 PolarHBondContact O-N 2.77Å; S290-A292 PolarHBondContact OG-N 2.94Å; S290-A292 VanDerWaalsContact OG-N 3.07Å; A292-A295 WeakPolarHBondContact O-CB 3.46Å; A292-A295 PolarHBondContact O-N 3.46Å; A292-Y296 VanDerWaalsContact O-CD2 3.25Å; A292-Y296 WeakPolarHBondContact O-CD2 3.45Å; A292-Y296 PolarHBondContact O-N 2.87Å
293	T	96.1	Very high	96.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-44.8	175.7	-57.7	0	0	0	0	110.9	F283 F284 A287 P288 S290 A295 Y296 R297	F283-T293 WeakPolarHBondContact CE1-OG1 3.48Å; F284-T293 HydrophobicContact CD1-CG2 3.67Å; F284-T293 HydrophobicContact CE1-CG2 4.27Å; A287-T293 PolarHBondContact O-OG1 3.19Å; P288-T293 WeakPolarHBondContact O-CG2 3.44Å; S290-T293 WeakPolarHBondContact O-CB 3.03Å; S290-T293 PolarHBondContact O-N 3.21Å; T293-A295 VanDerWaalsContact C-N 3.31Å; T293-A295 PolarHBondContact O-N 3.13Å; T293-Y296 PolarHBondContact O-N 2.7Å; T293-R297 WeakPolarHBondContact O-CG 3.07Å; T293-R297 PolarHBondContact O-N 2.78Å
294	A	96.1	Very high	96.2	Very high	63 Å²	63	49.2 Å²	49.2	52%	0.521	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-40.7	174.1	0	0	0	0	0	112.1	S290 S298	S290-A294 PolarHBondContact O-N 3.27Å; A294-S298 WeakPolarHBondContact O-CB 3.25Å; A294-S298 PolarHBondContact O-N 3.38Å; A294-S298 VanDerWaalsContact O-N 3.07Å
295	A	97.2	Very high	96.2	Very high	20 Å²	20	54 Å²	54	17%	0.165	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-46.3	175.7	0	0	0	0	0	112.1	R266 V267 P291 A292 T293 S298 I299	R266-A295 WeakPolarHBondContact O-CB 3.46Å; V267-A295 HydrophobicContact CG2-CB 4.49Å; P291-A295 PolarHBondContact O-N 3.22Å; A292-A295 WeakPolarHBondContact O-CB 3.46Å; A292-A295 PolarHBondContact O-N 3.46Å; T293-A295 VanDerWaalsContact C-N 3.31Å; T293-A295 PolarHBondContact O-N 3.13Å; A295-S298 PolarHBondContact O-N 3.48Å; A295-I299 WeakPolarHBondContact O-CD1 3.46Å; A295-I299 VanDerWaalsContact O-CG1 3.3Å; A295-I299 WeakPolarHBondContact O-CG1 3.19Å; A295-I299 PolarHBondContact O-N 3.32Å
296	Y	97.8	Very high	96.3	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-51.5	175.6	-88.4	-70.9	0	0	0	111.7	F71 H74 V267 I273 F283 F284 A292 T293 S298 I299 I300	F71-Y296 HydrophobicContact CD2-CD1 4.19Å; F71-Y296 AromaticContact CD2-CE1 3.41Å; F71-Y296 HydrophobicContact CD2-CE1 3.41Å; F71-Y296 VanDerWaalsContact CD2-CE1 3.41Å; F71-Y296 HydrophobicContact CE2-CD1 4.07Å; F71-Y296 AromaticContact CE2-CE1 3.77Å; F71-Y296 HydrophobicContact CE2-CE1 3.77Å; F71-Y296 HydrophobicContact CG-CE1 4.28Å; H74-Y296 HydrophobicContact CB-CD1 4.11Å; H74-Y296 HydrophobicContact CB-CE1 3.68Å; H74-Y296 HydrophobicContact CB-CE2 4.48Å; V267-Y296 HydrophobicContact CG1-CD2 4.17Å; V267-Y296 HydrophobicContact CG1-CE2 3.63Å; V267-Y296 HydrophobicContact CG2-CE1 4.49Å; I273-Y296 HydrophobicContact CD1-CE2 4.1Å; F283-Y296 HydrophobicContact CD1-CD2 4.43Å; F283-Y296 HydrophobicContact CE1-CD2 4.45Å; F284-Y296 HydrophobicContact CZ-CG 4.2Å; A292-Y296 VanDerWaalsContact O-CD2 3.25Å; A292-Y296 WeakPolarHBondContact O-CD2 3.45Å; A292-Y296 PolarHBondContact O-N 2.87Å; T293-Y296 PolarHBondContact O-N 2.7Å; Y296-S298 VanDerWaalsContact C-N 3.29Å; Y296-S298 PolarHBondContact O-N 3.1Å; Y296-I299 PolarHBondContact O-N 3.23Å; Y296-I299 VanDerWaalsContact O-N 3.07Å; Y296-I300 WeakPolarHBondContact O-CD1 3.14Å; Y296-I300 VanDerWaalsContact O-CG1 3.23Å; Y296-I300 WeakPolarHBondContact O-CG1 3.29Å; Y296-I300 PolarHBondContact O-N 3.04Å
297	R	97.9	Very high	96.3	Very high	111 Å²	111	47 Å²	47	42%	0.419	25%	0.249	S	C	.	.	H	α-helix	trans	-58.4	-41	179.6	-73.3	-173.3	172.1	164.9	1.8	112.4	E81 F284 T293 I300 H301	E81-R297 IonicContact OE1-CZ 3.73Å; E81-R297 IonicContact OE1-NE 3.92Å; E81-R297 IonicContact OE1-NH2 2.74Å; E81-R297 PolarHBondContact OE1-NH2 2.9Å; E81-R297 IonicContact OE2-CZ 3.56Å; E81-R297 IonicContact OE2-NE 3.03Å; E81-R297 PolarHBondContact OE2-NE 3.25Å; E81-R297 IonicContact OE2-NH2 3.28Å; E81-R297 PolarHBondContact OE2-NH2 3.46Å; F284-R297 HydrophobicContact CD1-CG 4.21Å; F284-R297 HydrophobicContact CE1-CG 3.93Å; T293-R297 WeakPolarHBondContact O-CG 3.07Å; T293-R297 PolarHBondContact O-N 2.78Å; R297-I300 PolarHBondContact O-N 3.33Å; R297-H301 WeakPolarHBondContact O-CB 3.36Å; R297-H301 PolarHBondContact O-N 3.5Å
298	S	98.4	Very high	96.1	Very high	58 Å²	58	50.5 Å²	50.5	41%	0.406	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-42.7	174.9	-177.4	0	0	0	0	112.4	A294 A295 Y296 R302	A294-S298 WeakPolarHBondContact O-CB 3.25Å; A294-S298 PolarHBondContact O-N 3.38Å; A294-S298 VanDerWaalsContact O-N 3.07Å; A295-S298 PolarHBondContact O-N 3.48Å; Y296-S298 VanDerWaalsContact C-N 3.29Å; Y296-S298 PolarHBondContact O-N 3.1Å; S298-R302 WeakPolarHBondContact O-CG 3.02Å; S298-R302 PolarHBondContact O-N 2.89Å
299	I	98.6	Very high	95.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-45.9	176.7	-69.8	162.1	0	0	0	111	F71 V227 L264 V267 A295 Y296 H301 R302 I303	F71-I299 HydrophobicContact CE2-CG2 4.04Å; F71-I299 HydrophobicContact CZ-CG2 3.77Å; V227-I299 HydrophobicContact CG1-CD1 3.92Å; V227-I299 HydrophobicContact CG2-CD1 4.28Å; V227-I299 HydrophobicContact CG2-CG2 3.83Å; L264-I299 HydrophobicContact CB-CG1 4.5Å; L264-I299 HydrophobicContact CB-CG2 4.18Å; V267-I299 HydrophobicContact CG2-CD1 3.59Å; A295-I299 WeakPolarHBondContact O-CD1 3.46Å; A295-I299 VanDerWaalsContact O-CG1 3.3Å; A295-I299 WeakPolarHBondContact O-CG1 3.19Å; A295-I299 PolarHBondContact O-N 3.32Å; Y296-I299 PolarHBondContact O-N 3.23Å; Y296-I299 VanDerWaalsContact O-N 3.07Å; I299-H301 VanDerWaalsContact C-N 3.33Å; I299-H301 PolarHBondContact O-N 3.46Å; I299-R302 PolarHBondContact O-N 3.44Å; I299-I303 HydrophobicContact CG2-CD1 3.86Å; I299-I303 WeakPolarHBondContact O-CG1 3.24Å; I299-I303 PolarHBondContact O-N 3.03Å
300	I	98.5	Very high	95.1	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.036	26%	0.262	C	S	.	.	H	α-helix	trans	-58.4	-47	178.6	-67.9	159.7	0	0	0	110.2	L75 L79 F284 Y296 R297 R302 I303 Q304	L75-I300 HydrophobicContact CD1-CG1 3.74Å; L79-I300 HydrophobicContact CD2-CG2 3.68Å; L79-I300 HydrophobicContact CG-CG2 4.03Å; F284-I300 HydrophobicContact CE1-CD1 4.16Å; F284-I300 HydrophobicContact CZ-CD1 3.77Å; Y296-I300 WeakPolarHBondContact O-CD1 3.14Å; Y296-I300 VanDerWaalsContact O-CG1 3.23Å; Y296-I300 WeakPolarHBondContact O-CG1 3.29Å; Y296-I300 PolarHBondContact O-N 3.04Å; R297-I300 PolarHBondContact O-N 3.33Å; I300-R302 VanDerWaalsContact C-N 3.32Å; I300-R302 PolarHBondContact O-N 3.38Å; I300-I303 WeakPolarHBondContact O-CB 3.43Å; I300-I303 PolarHBondContact O-N 2.87Å; I300-I303 VanDerWaalsContact O-N 3.07Å; I300-Q304 HydrophobicContact CG2-CG 4.38Å; I300-Q304 WeakPolarHBondContact O-CG 3.32Å; I300-Q304 PolarHBondContact O-N 3.03Å
301	H	98.1	Very high	93.7	Very high	102 Å²	102	52.4 Å²	52.4	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-57.1	-44.6	177.2	-174.2	-93.2	0	0	0	112.2	R297 I299 I303 Q304 E305	R297-H301 WeakPolarHBondContact O-CB 3.36Å; R297-H301 PolarHBondContact O-N 3.5Å; I299-H301 VanDerWaalsContact C-N 3.33Å; I299-H301 PolarHBondContact O-N 3.46Å; H301-I303 VanDerWaalsContact C-N 3.31Å; H301-I303 PolarHBondContact O-N 3.43Å; H301-Q304 PolarHBondContact O-N 3.46Å; H301-E305 VanDerWaalsContact CE1-CD 3.43Å; H301-E305 IonicContact CE1-OE1 2.65Å; H301-E305 PolarHBondContact CE1-OE1 3.06Å; H301-E305 IonicContact ND1-OE1 2.69Å; H301-E305 PolarHBondContact ND1-OE1 3.44Å; H301-E305 IonicContact ND1-OE2 3Å; H301-E305 WeakPolarHBondContact O-CG 3.19Å; H301-E305 PolarHBondContact O-N 3.47Å
302	R	98.3	Very high	92.1	Very high	109 Å²	109	50.4 Å²	50.4	41%	0.411	27%	0.274	S	S	.	.	H	α-helix	trans	-63.9	-35.3	176.9	-69.6	171.5	-178	-155.5	-5	112.6	L263 L264 S298 I299 I300 F306	L263-R302 PolarHBondContact O-NH1 3.09Å; L264-R302 HydrophobicContact CD2-CB 4.18Å; L264-R302 WeakPolarHBondContact O-CD 3.23Å; L264-R302 PolarHBondContact O-NH1 3.35Å; S298-R302 WeakPolarHBondContact O-CG 3.02Å; S298-R302 PolarHBondContact O-N 2.89Å; I299-R302 PolarHBondContact O-N 3.44Å; I300-R302 VanDerWaalsContact C-N 3.32Å; I300-R302 PolarHBondContact O-N 3.38Å; R302-F306 WeakPolarHBondContact O-CB 3.49Å; R302-F306 PolarHBondContact O-N 2.82Å
303	I	98.3	Very high	89.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-45.4	174.2	-67.3	166.2	0	0	0	110	I57 F71 L75 V196 I224 L264 I299 I300 H301 E305 F306 C307	I57-I303 HydrophobicContact CD1-CG2 3.6Å; F71-I303 HydrophobicContact CZ-CD1 4.45Å; L75-I303 HydrophobicContact CD1-CD1 3.87Å; L75-I303 HydrophobicContact CD2-CD1 4.26Å; V196-I303 HydrophobicContact CG2-CD1 3.89Å; V196-I303 HydrophobicContact CG2-CG1 4.21Å; I224-I303 HydrophobicContact CD1-CG2 4.42Å; I224-I303 HydrophobicContact CG2-CG1 4.16Å; L264-I303 HydrophobicContact CD1-CD1 4.33Å; L264-I303 HydrophobicContact CD1-CG1 3.97Å; I299-I303 HydrophobicContact CG2-CD1 3.86Å; I299-I303 WeakPolarHBondContact O-CG1 3.24Å; I299-I303 PolarHBondContact O-N 3.03Å; I300-I303 WeakPolarHBondContact O-CB 3.43Å; I300-I303 PolarHBondContact O-N 2.87Å; I300-I303 VanDerWaalsContact O-N 3.07Å; H301-I303 VanDerWaalsContact C-N 3.31Å; H301-I303 PolarHBondContact O-N 3.43Å; I303-E305 PolarHBondContact O-N 3.47Å; I303-F306 WeakPolarHBondContact O-CB 3.47Å; I303-F306 PolarHBondContact O-N 2.96Å; I303-C307 PolarHBondContact O-N 3.24Å; I303-C307 PolarHBondContact O-SG 3.46Å
304	Q	97.2	Very high	87.3	Confident	54 Å²	54	65.7 Å²	65.7	25%	0.252	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-41.7	176.6	-68.7	173.4	-53	0	0	112.1	L79 I300 H301 C307 S308	L79-Q304 HydrophobicContact CD2-CG 3.62Å; I300-Q304 HydrophobicContact CG2-CG 4.38Å; I300-Q304 WeakPolarHBondContact O-CG 3.32Å; I300-Q304 PolarHBondContact O-N 3.03Å; H301-Q304 PolarHBondContact O-N 3.46Å; Q304-C307 PolarHBondContact O-N 2.88Å; Q304-S308 WeakPolarHBondContact O-CB 3.36Å; Q304-S308 PolarHBondContact O-N 3.11Å; Q304-S308 PolarHBondContact O-OG 3.27Å
305	E	96.6	Very high	84.7	Confident	104 Å²	104	66.1 Å²	66.1	49%	0.486	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-43	173.8	-75.2	177.3	150.1	0	0	111.9	H301 I303 S308 S309	H301-E305 VanDerWaalsContact CE1-CD 3.43Å; H301-E305 IonicContact CE1-OE1 2.65Å; H301-E305 PolarHBondContact CE1-OE1 3.06Å; H301-E305 IonicContact ND1-OE1 2.69Å; H301-E305 PolarHBondContact ND1-OE1 3.44Å; H301-E305 IonicContact ND1-OE2 3Å; H301-E305 WeakPolarHBondContact O-CG 3.19Å; H301-E305 PolarHBondContact O-N 3.47Å; I303-E305 PolarHBondContact O-N 3.47Å; E305-S308 PolarHBondContact O-N 3.48Å; E305-S309 WeakPolarHBondContact O-CB 3.29Å; E305-S309 PolarHBondContact O-N 2.98Å; E305-S309 PolarHBondContact O-OG 2.96Å
306	F	95.8	Very high	81.5	Confident	45 Å²	45	71 Å²	71	20%	0.197	39%	0.385	C	S	.	.	H	α-helix	trans	-60.8	-49.4	176.2	-178.4	-83.5	0	0	0	111.2	D193 I224 R302 I303 S308 S309 H310	D193-F306 WeakPolarHBondContact O-CE1 3.2Å; I224-F306 HydrophobicContact CB-CD1 4.28Å; I224-F306 HydrophobicContact CB-CE1 4.45Å; I224-F306 HydrophobicContact CB-CG 4.37Å; I224-F306 HydrophobicContact CD1-CD1 4.08Å; I224-F306 HydrophobicContact CD1-CE1 4.36Å; I224-F306 HydrophobicContact CG1-CD1 3.72Å; I224-F306 HydrophobicContact CG1-CE1 3.7Å; I224-F306 HydrophobicContact CG1-CG 4.32Å; I224-F306 HydrophobicContact CG1-CZ 4.24Å; I224-F306 HydrophobicContact CG2-CB 3.91Å; I224-F306 HydrophobicContact CG2-CD1 4Å; I224-F306 HydrophobicContact CG2-CD2 4.19Å; I224-F306 HydrophobicContact CG2-CG 3.76Å; R302-F306 WeakPolarHBondContact O-CB 3.49Å; R302-F306 PolarHBondContact O-N 2.82Å; I303-F306 WeakPolarHBondContact O-CB 3.47Å; I303-F306 PolarHBondContact O-N 2.96Å; F306-S308 VanDerWaalsContact C-N 3.35Å; F306-S308 PolarHBondContact O-N 3.11Å; F306-S309 PolarHBondContact O-N 3.1Å; F306-S309 PolarHBondContact O-OG 3.22Å; F306-H310 PolarHBondContact O-N 3.3Å; F306-H310 VanDerWaalsContact O-N 3.16Å; F306-H310 PolarHBondContact O-ND1 3.14Å
307	C	93.9	Very high	78.6	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-62.1	-39.9	178	-73.1	0	0	0	0	112.5	H55 Y167 I303 Q304 H310	H55-C307 PolarHBondContact CE1-O 3.26Å; Y167-C307 HydrophobicContact CE1-CB 4.2Å; I303-C307 PolarHBondContact O-N 3.24Å; I303-C307 PolarHBondContact O-SG 3.46Å; Q304-C307 PolarHBondContact O-N 2.88Å; C307-H310 CarbonylContact O-C 3.42Å; C307-H310 VanDerWaalsContact O-C 3.3Å; C307-H310 PolarHBondContact O-N 3.33Å
308	S	91	Very high	75.5	Confident	84 Å²	84	80.3 Å²	80.3	59%	0.587	44%	0.442	S	S	*	.	H	α-helix	trans	-70.5	-32.4	179.8	-59	0	0	0	0	113	Q304 E305 F306	Q304-S308 WeakPolarHBondContact O-CB 3.36Å; Q304-S308 PolarHBondContact O-N 3.11Å; Q304-S308 PolarHBondContact O-OG 3.27Å; E305-S308 PolarHBondContact O-N 3.48Å; F306-S308 VanDerWaalsContact C-N 3.35Å; F306-S308 PolarHBondContact O-N 3.11Å
309	S	86.4	Confident	72.4	Confident	76 Å²	76	82.5 Å²	82.5	53%	0.531	46%	0.457	S	S	.	.	H	α-helix	trans	-80.9	-16.5	178	54.7	0	0	0	0	113.6	E305 F306 P311	E305-S309 WeakPolarHBondContact O-CB 3.29Å; E305-S309 PolarHBondContact O-N 2.98Å; E305-S309 PolarHBondContact O-OG 2.96Å; F306-S309 PolarHBondContact O-N 3.1Å; F306-S309 PolarHBondContact O-OG 3.22Å; S309-P311 VanDerWaalsContact C-CD 3.46Å
310	H	79.2	Confident	69.3	Low	107 Å²	107	86.9 Å²	86.9	50%	0.495	49%	0.494	S	S	.	.	S	Bend	trans	-127.1	64.1	177.6	-60.3	78.6	0	0	0	109.6	F306 C307 S312	F306-H310 PolarHBondContact O-N 3.3Å; F306-H310 VanDerWaalsContact O-N 3.16Å; F306-H310 PolarHBondContact O-ND1 3.14Å; C307-H310 CarbonylContact O-C 3.42Å; C307-H310 VanDerWaalsContact O-C 3.3Å; C307-H310 PolarHBondContact O-N 3.33Å; H310-S312 PolarHBondContact O-N 3.27Å
311	P	64.4	Low	66.1	Low	94 Å²	94	92.2 Å²	92.2	61%	0.61	53%	0.526	S	S	*	.			trans	-57	131	-177.2	23.2	-32	0	0	0	109.5	S309 L313	S309-P311 VanDerWaalsContact C-CD 3.46Å; P311-L313 PolarHBondContact O-N 3.26Å
312	S	59.3	Low	63.2	Low	21 Å²	21	93.5 Å²	93.5	15%	0.147	55%	0.546	C	S	.	.			trans	-50.4	134.3	171.4	58.5	0	0	0	0	108.5	K54 H310 K314	K54-S312 VanDerWaalsContact O-CB 3.25Å; K54-S312 WeakPolarHBondContact O-CB 3.2Å; K54-S312 PolarHBondContact O-OG 2.94Å; H310-S312 PolarHBondContact O-N 3.27Å; S312-K314 PolarHBondContact O-N 3.34Å
313	L	47.9	Very low	60.3	Low	150 Å²	150	97 Å²	97	79%	0.785	59%	0.587	S	S	*	*			trans	-58.3	89.2	-179.7	-74.5	160.1	0	0	0	108.8	P311 G315	P311-L313 PolarHBondContact O-N 3.26Å; L313-G315 PolarHBondContact O-N 2.72Å; L313-G315 VanDerWaalsContact O-N 3.09Å
314	K	43.3	Very low	58.4	Low	173 Å²	173	101.9 Å²	101.9	75%	0.752	62%	0.617	S	S	*	*			trans	-56.2	119.5	161.5	-80.9	-171	175.9	-176	0	105.1	S312 T316	S312-K314 PolarHBondContact O-N 3.34Å; K314-T316 PolarHBondContact O-N 3Å
315	G	40.3	Very low	56.4	Low	71 Å²	71	104.4 Å²	104.4	73%	0.732	64%	0.636	S	S	*	*			trans	-42.3	117.1	-179.2	0	0	0	0	0	109.4	L313 E317	L313-G315 PolarHBondContact O-N 2.72Å; L313-G315 VanDerWaalsContact O-N 3.09Å; G315-E317 PolarHBondContact O-N 3.09Å
316	T	31.5	Very low	54.2	Low	123 Å²	123	104.4 Å²	104.4	76%	0.755	64%	0.644	S	S	*	*			trans	-62.5	91	171.1	44.6	0	0	0	0	107	K314 T318	K314-T316 PolarHBondContact O-N 3Å; T316-T318 PolarHBondContact O-N 3.34Å
317	E	35.3	Very low	51.7	Low	184 Å²	184	107.9 Å²	107.9	86%	0.86	67%	0.67	S	S	*	*			trans	-66	89.2	153	-76.7	-170.7	168.7	0	0	105.9	G315 S319	G315-E317 PolarHBondContact O-N 3.09Å; E317-S319 PolarHBondContact O-N 3.16Å
318	T	33.3	Very low	49.1	Very low	124 Å²	124	114.7 Å²	114.7	76%	0.761	71%	0.712	S	S	*	*			trans	-62.4	93.2	158.4	40	0	0	0	0	106.6	T316 A320	T316-T318 PolarHBondContact O-N 3.34Å; T318-A320 PolarHBondContact O-N 3.37Å
319	S	33.3	Very low	46.3	Very low	103 Å²	103	116.7 Å²	116.7	72%	0.72	72%	0.721	S	S	*	*			trans	-62.5	85.1	156.8	45.8	0	0	0	0	107.3	E317 T321	E317-S319 PolarHBondContact O-N 3.16Å; S319-T321 PolarHBondContact O-N 3.09Å
320	A	33.8	Very low	43.4	Very low	94 Å²	94	119.6 Å²	119.6	78%	0.777	73%	0.734	S	S	*	*			trans	-68	86.1	160.8	0	0	0	0	0	106.6	T318 C322	T318-A320 PolarHBondContact O-N 3.37Å; A320-C322 PolarHBondContact O-N 3.3Å
321	T	31.8	Very low	40.7	Very low	118 Å²	118	120.6 Å²	120.6	72%	0.724	75%	0.752	S	S	*	*			trans	-57.3	109.7	159.7	42.5	0	0	0	0	107.3	S319 S323	S319-T321 PolarHBondContact O-N 3.09Å; T321-S323 PolarHBondContact O-N 3.29Å
322	C	36.3	Very low	38.7	Very low	130 Å²	130	122.8 Å²	122.8	88%	0.878	76%	0.764	S	S	*	*			trans	-60.7	121.1	164	-160.3	0	0	0	0	107.7	A320	A320-C322 PolarHBondContact O-N 3.3Å
323	S	38.4	Very low	36.8	Very low	183 Å²	183	132.1 Å²	132.1	100%	1.28	82%	0.82	S	S	*	*			trans	-146.9	0	166.2	-61.4	0	0	0	0	107.7	T321	T321-S323 PolarHBondContact O-N 3.29Å

Retrieved 323 of 323 residues in 209.7 ms (Link to these results)

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