A0A060W9N1_ONCMY Loading...

DNA-directed RNA polymerase subunit beta

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A060W9N1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene polr2b, Length 1,174 aa.

						>A0A060W9N1_ONCMY|A0A060W9N1|polr2b
MYDQDEDIQYDEDEDEITPDLWQEACWIVISSYFDEKGLVRQQLDSFDEFIQMSVQRIVEDAPPIDLQAEAQHTSGEVEDPPRYLLKFEQIYLSKPTHWERDGAPSPMMPNEARLRNLTYSAPLYVDITKTIIKEGEDQLQTQHQKTFIGKIPIMLRSTYCLLSGLTDRDLCELNECPLDPGGYFIINGSEKVLIAQEKMATNTVYVFAKKDSKYAYTGECRSCLENSSRPTSSIWVSMMARGGQGVKKSAIGQRIVSTLPYIRQEVPIIIVFRALGFVSDRDILEHIIYDFDDPEMMEMVKPSLDEAFVIQEQNVALNFIGSRGAKPGVTKERRIKYAKEVLQKEVLPHVGVSDFCETKKAYFLGYMVHRLLLAALGRRELDDRDHYGNKRLDLAGPLLAFLFRGMFKNLLKEIRIYAQKFIDRGKDFNLELAIKTRIISDGLKYSLATGNWGDVKKAHQARAGVSQVLNRLTFASTLSHLRRVNSPIGRDGKLAKPRQLHNTLWGMVCPAETPEGHAVGLVKNLALMAYISVGSQPSPILEFLEEWSMENLEEISPAAIADATKIFVNGCWVGIHKDPEQLMNTLRKLRRQMDIIVSEVSMIRDIREREIRIYTDAGRICRPLLIVEKQKLLLKRRHIDQLKEREYNNYSWQDLVASGVVEYIDTLEEETVMLAMTPDDLQEKGVAYCSTYSHCEIHPSMILGVCASIIPFPDHNQSPRNTYQSAMGKQAMGVYITNFHVRMDTLAHVLYYPQKPLVTTRSMEYLRFRELPAGINSIVAIAAYTGYNQEDSVIMNRSAVDRGFFRSVFYRSYKEQESKKGFDQEEVFEKPTRETCSGMRHAIYDKLDDDGLIAPGVRVSGEDVIIGKTVTLPENDDELDSTNRRYTKRDCSTFLRTSETGIVDQVMVTLNQEGYKFCKIRVRSVRIPQIGDKFASRHGQKGTCGIQYRQEDMPFTCEGITPDIIINPHAIPSRMTVGHLIECLQGKVSANKGEIGDATPFNDAVNVQKVSNLLSEYGYHLRGNEVLYNGFTGRKITSQIFLGPTYYQRLKHMVDDKIHSRARGPVQILNRQPMEGRSRDGGLRFGEMERDCQIAHGAAQFLRERLFEASDPYQVHVCNLCGLMAIANTRTHTYECRGCRNKTQISLVRMPYACKLLFQELMSMSIAPRMMTS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	36	Very low	234 Å²	234	168.8 Å²	168.8	100%	1.153	81%	0.805	S	S	*	*				0	113.9	0	-92.9	165.7	160.6	0	0	105.1	D3	M1-D3 PolarHBondContact O-N 3.48Å
2	Y	37.4	Very low	37.1	Very low	238 Å²	238	169.6 Å²	169.6	93%	0.933	81%	0.807	S	S	*	*			trans	-79.9	106.5	175.6	-76	-92.8	0	0	0	106.2
3	D	36.3	Very low	37.8	Very low	153 Å²	153	165.1 Å²	165.1	82%	0.818	79%	0.791	S	S	*	*			trans	-80.7	125.8	167.4	-78.8	-27.4	0	0	0	107.8	M1	M1-D3 PolarHBondContact O-N 3.48Å
4	Q	35.3	Very low	38.9	Very low	177 Å²	177	164.6 Å²	164.6	83%	0.827	79%	0.787	S	S	*	*			trans	-65.9	124.6	-178.8	-71.1	166.2	-48.2	0	0	109	E6	Q4-E6 VanDerWaalsContact C-N 3.32Å; Q4-E6 PolarHBondContact O-N 3.32Å
5	D	34	Very low	40.6	Very low	154 Å²	154	157.2 Å²	157.2	82%	0.824	75%	0.754	S	S	*	*			trans	-61.5	97.3	158.8	-69.7	-48.2	0	0	0	107.6	D7	D5-D7 VanDerWaalsContact C-N 3.33Å; D5-D7 PolarHBondContact O-N 3.34Å; D5-D7 VanDerWaalsContact O-N 3.09Å
6	E	35.9	Very low	42.5	Very low	163 Å²	163	151.5 Å²	151.5	76%	0.762	73%	0.726	S	S	*	*			trans	-69.9	96	161.1	-77.4	-173.1	162.9	0	0	107.3	Q4 I8	Q4-E6 VanDerWaalsContact C-N 3.32Å; Q4-E6 PolarHBondContact O-N 3.32Å; E6-I8 PolarHBondContact O-N 2.92Å
7	D	35.3	Very low	44.4	Very low	153 Å²	153	143.6 Å²	143.6	82%	0.818	69%	0.689	S	S	*	*			trans	-59.1	87.7	161.1	-82.8	-35.8	0	0	0	108.7	D5 Q9	D5-D7 VanDerWaalsContact C-N 3.33Å; D5-D7 PolarHBondContact O-N 3.34Å; D5-D7 VanDerWaalsContact O-N 3.09Å; D7-Q9 VanDerWaalsContact C-N 3.33Å; D7-Q9 PolarHBondContact O-N 3.23Å
8	I	35.4	Very low	45.8	Very low	99 Å²	99	139.4 Å²	139.4	51%	0.508	67%	0.673	S	S	.	*			trans	-70.5	97.2	163.9	-54.4	173.6	0	0	0	106.1	E6 Y10	E6-I8 PolarHBondContact O-N 2.92Å; I8-Y10 VanDerWaalsContact C-N 3.26Å; I8-Y10 HydrophobicContact CB-CD2 4.01Å; I8-Y10 HydrophobicContact CB-CE2 3.59Å; I8-Y10 HydrophobicContact CD1-CE2 4.26Å; I8-Y10 HydrophobicContact CG2-CD1 4.22Å; I8-Y10 HydrophobicContact CG2-CD2 3.65Å; I8-Y10 HydrophobicContact CG2-CE1 3.9Å; I8-Y10 HydrophobicContact CG2-CE2 3.29Å; I8-Y10 HydrophobicContact CG2-CG 4.11Å; I8-Y10 VanDerWaalsContact CG2-CZ 3.42Å; I8-Y10 WeakPolarHBondContact O-CD2 3.26Å; I8-Y10 PolarHBondContact O-N 3.12Å
9	Q	33.5	Very low	46.9	Very low	194 Å²	194	135.4 Å²	135.4	91%	0.907	66%	0.659	S	S	*	*			trans	-61.1	91.1	163.9	-92.1	-179.1	-23.2	0	0	108.5	D7	D7-Q9 VanDerWaalsContact C-N 3.33Å; D7-Q9 PolarHBondContact O-N 3.23Å
10	Y	40.1	Very low	47.8	Very low	179 Å²	179	136.2 Å²	136.2	70%	0.702	67%	0.667	S	S	*	*			trans	-76.8	131.3	162.9	-70.4	-78.2	0	0	0	108.3	I8 E12	I8-Y10 VanDerWaalsContact C-N 3.26Å; I8-Y10 HydrophobicContact CB-CD2 4.01Å; I8-Y10 HydrophobicContact CB-CE2 3.59Å; I8-Y10 HydrophobicContact CD1-CE2 4.26Å; I8-Y10 HydrophobicContact CG2-CD1 4.22Å; I8-Y10 HydrophobicContact CG2-CD2 3.65Å; I8-Y10 HydrophobicContact CG2-CE1 3.9Å; I8-Y10 HydrophobicContact CG2-CE2 3.29Å; I8-Y10 HydrophobicContact CG2-CG 4.11Å; I8-Y10 VanDerWaalsContact CG2-CZ 3.42Å; I8-Y10 WeakPolarHBondContact O-CD2 3.26Å; I8-Y10 PolarHBondContact O-N 3.12Å; Y10-E12 PolarHBondContact O-N 3.36Å
11	D	37.7	Very low	49.4	Very low	113 Å²	113	134 Å²	134	60%	0.604	66%	0.658	S	S	*	*			trans	-61.8	117.8	177.7	-142.8	-16	0	0	0	109.1	D13 E14	D11-D13 PolarHBondContact O-N 3.24Å; D11-E14 HydrophobicContact CB-CG 4.37Å; D11-E14 PolarHBondContact O-N 3.04Å
12	E	49.2	Very low	51.8	Low	178 Å²	178	124.2 Å²	124.2	83%	0.832	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-18	-173.8	-73.7	-172.7	162.7	0	0	113.4	Y10	Y10-E12 PolarHBondContact O-N 3.36Å
13	D	46.8	Very low	54	Low	111 Å²	111	115.7 Å²	115.7	59%	0.594	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-10.6	179.1	-78	-34.2	0	0	0	113.8	D11 K632	D11-D13 PolarHBondContact O-N 3.24Å; D13-K632 IonicContact OD1-NZ 3.74Å; D13-K632 PolarHBondContact OD1-NZ 2.84Å; D13-K632 VanDerWaalsContact OD1-NZ 3.13Å
14	E	52.8	Low	56.4	Low	158 Å²	158	113.2 Å²	113.2	74%	0.738	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-11.9	176.1	-80.2	-165.2	159.9	0	0	114.2	D11	D11-E14 HydrophobicContact CB-CG 4.37Å; D11-E14 PolarHBondContact O-N 3.04Å
15	D	65.2	Low	59	Low	54 Å²	54	105.1 Å²	105.1	29%	0.289	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	10.1	-173.6	-148.4	18	0	0	0	113.6	R637 R638	D15-R637 PolarHBondContact O-N 2.82Å; D15-R637 VanDerWaalsContact O-N 3.11Å; D15-R637 WeakPolarHBondContact OD1-CB 3.31Å; D15-R638 PolarHBondContact OD1-N 2.71Å; D15-R638 WeakPolarHBondContact OD2-CB 3.39Å
16	E	70.1	Confident	61.8	Low	66 Å²	66	97.8 Å²	97.8	31%	0.308	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-78.5	134.7	179.5	-162.3	161.1	-145	0	0	111.9	T18	E16-T18 PolarHBondContact O-N 2.86Å
17	I	74.6	Confident	64.6	Low	18 Å²	18	90.7 Å²	90.7	9%	0.092	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-78.3	120.7	-177.2	-59.4	172.3	0	0	0	108.8	L21 W22 L635 R637 I640	I17-L21 HydrophobicContact CG2-CB 4.06Å; I17-W22 HydrophobicContact CG2-CE3 4.28Å; I17-L635 HydrophobicContact CD1-CD2 4.44Å; I17-L635 HydrophobicContact CD1-CG 4.15Å; I17-R637 HydrophobicContact CG1-CB 4.31Å; I17-I640 HydrophobicContact CD1-CG1 3.96Å
18	T	71	Confident	67.4	Low	67 Å²	67	85.5 Å²	85.5	41%	0.411	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-71.2	153.2	174.4	62.1	0	0	0	0	111.5	E16 D20 L21 W22	E16-T18 PolarHBondContact O-N 2.86Å; T18-D20 PolarHBondContact O-N 2.87Å; T18-L21 PolarHBondContact O-N 3.13Å; T18-L21 WeakPolarHBondContact OG1-CD1 3.45Å; T18-L21 WeakPolarHBondContact OG1-CG 3.45Å; T18-W22 PolarHBondContact O-N 2.83Å
19	P	66.2	Low	70.2	Confident	63 Å²	63	80.8 Å²	80.8	41%	0.409	40%	0.398	S	S	.	.	H	α-helix	trans	-55.1	-36.3	178.2	-26.9	34.5	0	0	0	113.8	L21 W22	P19-L21 VanDerWaalsContact C-N 3.33Å; P19-L21 PolarHBondContact O-N 2.64Å; P19-W22 VanDerWaalsContact O-CB 3.25Å; P19-W22 WeakPolarHBondContact O-CB 3.49Å; P19-W22 PolarHBondContact O-N 3.41Å
20	D	65.5	Low	73.2	Confident	152 Å²	152	71.5 Å²	71.5	81%	0.813	36%	0.355	S	S	*	.	H	α-helix	trans	-66.2	-34.4	177.7	-72.7	-19.7	0	0	0	112.7	T18	T18-D20 PolarHBondContact O-N 2.87Å
21	L	79.9	Confident	75.8	Confident	90 Å²	90	64.8 Å²	64.8	47%	0.471	33%	0.334	S	S	.	.	H	α-helix	trans	-79.9	-20.4	176.5	-71.5	168.9	0	0	0	112.2	I17 T18 P19 Q23 E24 A25	I17-L21 HydrophobicContact CG2-CB 4.06Å; T18-L21 PolarHBondContact O-N 3.13Å; T18-L21 WeakPolarHBondContact OG1-CD1 3.45Å; T18-L21 WeakPolarHBondContact OG1-CG 3.45Å; P19-L21 VanDerWaalsContact C-N 3.33Å; P19-L21 PolarHBondContact O-N 2.64Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 2.87Å; L21-E24 PolarHBondContact O-N 3.37Å; L21-A25 VanDerWaalsContact O-CB 3.31Å; L21-A25 WeakPolarHBondContact O-CB 3.26Å; L21-A25 PolarHBondContact O-N 3.46Å
22	W	85	Confident	78.5	Confident	29 Å²	29	59.6 Å²	59.6	11%	0.11	31%	0.306	C	S	.	.	H	α-helix	trans	-59	-44	-177.4	178.8	-113.1	0	0	0	112.8	I17 T18 P19 E24 A25 C26 L626 L633 L635 P679	I17-W22 HydrophobicContact CG2-CE3 4.28Å; T18-W22 PolarHBondContact O-N 2.83Å; P19-W22 VanDerWaalsContact O-CB 3.25Å; P19-W22 WeakPolarHBondContact O-CB 3.49Å; P19-W22 PolarHBondContact O-N 3.41Å; W22-E24 VanDerWaalsContact C-N 3.28Å; W22-E24 PolarHBondContact O-N 3.22Å; W22-A25 PolarHBondContact O-N 2.72Å; W22-C26 HydrophobicContact CD2-CB 4.42Å; W22-C26 HydrophobicContact CH2-CB 4.24Å; W22-C26 HydrophobicContact CZ2-CB 3.8Å; W22-C26 PolarHBondContact O-N 2.81Å; W22-C26 PolarHBondContact O-SG 3.34Å; W22-C26 VanDerWaalsContact O-SG 3.39Å; W22-L626 HydrophobicContact CH2-CD1 3.43Å; W22-L626 VanDerWaalsContact CH2-CD1 3.43Å; W22-L626 HydrophobicContact CZ2-CD1 4.09Å; W22-L626 HydrophobicContact CZ3-CD1 4.45Å; W22-L633 HydrophobicContact CE3-CD2 4.48Å; W22-L633 HydrophobicContact CH2-CD2 4.1Å; W22-L633 HydrophobicContact CZ3-CD2 3.64Å; W22-L635 HydrophobicContact CH2-CD2 4.36Å; W22-L635 HydrophobicContact CZ3-CD2 4.06Å; W22-P679 HydrophobicContact CD2-CG 3.57Å; W22-P679 VanDerWaalsContact CE2-CD 3.47Å; W22-P679 HydrophobicContact CE3-CG 3.93Å; W22-P679 HydrophobicContact CG-CG 4.14Å; W22-P679 HydrophobicContact CH2-CG 3.88Å; W22-P679 HydrophobicContact CZ2-CG 3.48Å; W22-P679 VanDerWaalsContact CZ2-CG 3.48Å; W22-P679 HydrophobicContact CZ3-CG 4.08Å; W22-P679 VanDerWaalsContact NE1-CD 3.3Å
23	Q	83.9	Confident	80.7	Confident	58 Å²	58	51.5 Å²	51.5	27%	0.271	27%	0.268	S	S	.	.	H	α-helix	trans	-58.5	-40.5	-177.7	-77.1	-144.1	-4.4	0	0	111.9	L21 C26 N1003	L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q23 PolarHBondContact O-N 2.87Å; Q23-C26 PolarHBondContact O-SG 3.01Å; Q23-N1003 PolarHBondContact NE2-OD1 2.9Å; Q23-N1003 PolarHBondContact OE1-OD1 2.86Å
24	E	87.3	Confident	83	Confident	102 Å²	102	46.9 Å²	46.9	48%	0.477	24%	0.243	S	C	.	.	H	α-helix	trans	-79.8	-39	176.9	-64.3	-55.5	148.7	0	0	112.3	L21 W22 C26 W27 I28 R762	L21-E24 PolarHBondContact O-N 3.37Å; W22-E24 VanDerWaalsContact C-N 3.28Å; W22-E24 PolarHBondContact O-N 3.22Å; E24-C26 PolarHBondContact O-N 2.85Å; E24-W27 PolarHBondContact O-N 2.9Å; E24-I28 WeakPolarHBondContact O-CG1 3.26Å; E24-I28 PolarHBondContact O-N 2.97Å; E24-R762 IonicContact OE1-CZ 2.95Å; E24-R762 IonicContact OE1-NH1 2.87Å; E24-R762 PolarHBondContact OE1-NH1 3.07Å; E24-R762 IonicContact OE1-NH2 3.9Å; E24-R762 PolarHBondContact OE1-NH2 3.34Å; E24-R762 IonicContact OE2-CZ 3.36Å; E24-R762 IonicContact OE2-NH1 2.8Å; E24-R762 PolarHBondContact OE2-NH1 3.08Å; E24-R762 IonicContact OE2-NH2 3.15Å
25	A	90.3	Very high	84.8	Confident	6 Å²	6	42.7 Å²	42.7	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-43.2	-179.1	0	0	0	0	0	112.7	L21 W22 W27 I28 V29 I640	L21-A25 VanDerWaalsContact O-CB 3.31Å; L21-A25 WeakPolarHBondContact O-CB 3.26Å; L21-A25 PolarHBondContact O-N 3.46Å; W22-A25 PolarHBondContact O-N 2.72Å; A25-W27 VanDerWaalsContact C-N 3.33Å; A25-W27 PolarHBondContact O-N 3.33Å; A25-I28 PolarHBondContact O-N 2.93Å; A25-V29 WeakPolarHBondContact O-CG2 3.46Å; A25-V29 PolarHBondContact O-N 2.88Å; A25-V29 VanDerWaalsContact O-N 3.16Å; A25-I640 HydrophobicContact CB-CD1 3.99Å; A25-I640 HydrophobicContact CB-CG1 4.06Å; A25-I640 HydrophobicContact CB-CG2 4.26Å
26	C	92.3	Very high	86.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-35.7	-178.3	69.2	0	0	0	0	112.4	W22 Q23 E24 V29 I30 I698	W22-C26 HydrophobicContact CD2-CB 4.42Å; W22-C26 HydrophobicContact CH2-CB 4.24Å; W22-C26 HydrophobicContact CZ2-CB 3.8Å; W22-C26 PolarHBondContact O-N 2.81Å; W22-C26 PolarHBondContact O-SG 3.34Å; W22-C26 VanDerWaalsContact O-SG 3.39Å; Q23-C26 PolarHBondContact O-SG 3.01Å; E24-C26 PolarHBondContact O-N 2.85Å; C26-V29 PolarHBondContact O-N 2.92Å; C26-I30 VanDerWaalsContact O-CG1 3.24Å; C26-I30 WeakPolarHBondContact O-CG1 3.45Å; C26-I30 PolarHBondContact O-N 3.08Å; C26-I698 HydrophobicContact CB-CG2 4.33Å; C26-I698 WeakPolarHBondContact CB-O 3.39Å
27	W	93.9	Very high	87	Confident	14 Å²	14	41.1 Å²	41.1	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-71.3	-32.8	176.1	-70	106.6	0	0	0	112.9	E24 A25 V29 I30 S31 H699 S701 M702 R762 Y766 T1000	E24-W27 PolarHBondContact O-N 2.9Å; A25-W27 VanDerWaalsContact C-N 3.33Å; A25-W27 PolarHBondContact O-N 3.33Å; W27-V29 VanDerWaalsContact C-N 3.33Å; W27-I30 HydrophobicContact CD2-CD1 4.32Å; W27-I30 HydrophobicContact CE3-CB 4.48Å; W27-I30 HydrophobicContact CE3-CD1 3.97Å; W27-I30 HydrophobicContact CE3-CG2 4.42Å; W27-I30 HydrophobicContact CZ3-CD1 4.18Å; W27-I30 PolarHBondContact O-N 3Å; W27-S31 WeakPolarHBondContact O-CB 3.48Å; W27-S31 PolarHBondContact O-N 3.19Å; W27-H699 AromaticContact CZ2-CE1 3.68Å; W27-H699 AromaticContact CZ2-CG 3.93Å; W27-H699 AromaticContact CZ2-ND1 3.7Å; W27-H699 AromaticContact CZ2-NE2 3.84Å; W27-S701 WeakPolarHBondContact CH2-OG 3.24Å; W27-M702 HydrophobicContact CH2-CE 3.69Å; W27-M702 HydrophobicContact CZ3-CE 3.64Å; W27-R762 VanDerWaalsContact CD1-NH1 3.26Å; W27-R762 HydrophobicContact CD2-CB 3.84Å; W27-R762 HydrophobicContact CD2-CG 4.41Å; W27-R762 VanDerWaalsContact CE2-CD 3.41Å; W27-R762 HydrophobicContact CE3-CB 3.75Å; W27-R762 HydrophobicContact CH2-CB 3.78Å; W27-R762 HydrophobicContact CZ2-CB 3.9Å; W27-R762 HydrophobicContact CZ3-CB 3.7Å; W27-Y766 AromaticContact CE3-CE2 3.8Å; W27-Y766 HydrophobicContact CE3-CE2 3.8Å; W27-Y766 AromaticContact CZ3-CE2 3.87Å; W27-Y766 HydrophobicContact CZ3-CE2 3.87Å; W27-Y766 PolarHBondContact O-OH 3.06Å; W27-T1000 HydrophobicContact CH2-CG2 4.13Å; W27-T1000 HydrophobicContact CZ2-CG2 3.56Å
28	I	94.2	Very high	87.9	Confident	44 Å²	44	41.8 Å²	41.8	23%	0.226	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-45.1	173	-65.5	165.4	0	0	0	110.1	E24 A25 I30 S31 S32 I640 L643 K644	E24-I28 WeakPolarHBondContact O-CG1 3.26Å; E24-I28 PolarHBondContact O-N 2.97Å; A25-I28 PolarHBondContact O-N 2.93Å; I28-I30 PolarHBondContact O-N 3.32Å; I28-S31 WeakPolarHBondContact O-CB 3.45Å; I28-S31 PolarHBondContact O-N 2.97Å; I28-S32 PolarHBondContact O-N 3.14Å; I28-I640 HydrophobicContact CD1-CG2 3.93Å; I28-L643 HydrophobicContact CG2-CB 3.83Å; I28-K644 HydrophobicContact CD1-CD 4.26Å; I28-K644 VanDerWaalsContact CD1-CE 3.46Å; I28-K644 HydrophobicContact CD1-CG 3.89Å; I28-K644 HydrophobicContact CG2-CG 4.45Å
29	V	94.5	Very high	89	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-46.1	175.3	175.2	0	0	0	0	110.8	A25 C26 W27 S31 S32 Y33 L635 I640 L643 W653 L656 I698	A25-V29 WeakPolarHBondContact O-CG2 3.46Å; A25-V29 PolarHBondContact O-N 2.88Å; A25-V29 VanDerWaalsContact O-N 3.16Å; C26-V29 PolarHBondContact O-N 2.92Å; W27-V29 VanDerWaalsContact C-N 3.33Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 3.31Å; V29-S32 PolarHBondContact O-N 2.81Å; V29-S32 PolarHBondContact O-OG 2.86Å; V29-Y33 PolarHBondContact O-N 2.97Å; V29-L635 HydrophobicContact CG2-CD2 4.08Å; V29-I640 HydrophobicContact CG2-CD1 3.58Å; V29-L643 HydrophobicContact CG2-CD1 3.99Å; V29-W653 HydrophobicContact CG1-CZ3 3.75Å; V29-L656 HydrophobicContact CG1-CD2 3.95Å; V29-I698 HydrophobicContact CG1-CG2 4.39Å
30	I	95.9	Very high	90.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-37.6	177.5	-66.7	165.1	0	0	0	111.8	C26 W27 I28 Y33 F34 M529 I698 H699 M702 Y766	C26-I30 VanDerWaalsContact O-CG1 3.24Å; C26-I30 WeakPolarHBondContact O-CG1 3.45Å; C26-I30 PolarHBondContact O-N 3.08Å; W27-I30 HydrophobicContact CD2-CD1 4.32Å; W27-I30 HydrophobicContact CE3-CB 4.48Å; W27-I30 HydrophobicContact CE3-CD1 3.97Å; W27-I30 HydrophobicContact CE3-CG2 4.42Å; W27-I30 HydrophobicContact CZ3-CD1 4.18Å; W27-I30 PolarHBondContact O-N 3Å; I28-I30 PolarHBondContact O-N 3.32Å; I30-Y33 WeakPolarHBondContact O-CB 3.43Å; I30-Y33 PolarHBondContact O-N 3.17Å; I30-F34 HydrophobicContact CG2-CD2 3.62Å; I30-F34 HydrophobicContact CG2-CE2 3.46Å; I30-F34 VanDerWaalsContact CG2-CE2 3.46Å; I30-F34 WeakPolarHBondContact O-CD2 3.31Å; I30-F34 PolarHBondContact O-N 3.09Å; I30-F34 VanDerWaalsContact O-N 3.11Å; I30-M529 HydrophobicContact CG1-SD 4.34Å; I30-I698 HydrophobicContact CD1-CG2 3.96Å; I30-I698 HydrophobicContact CG1-CG2 3.67Å; I30-H699 HydrophobicContact CD1-CB 3.77Å; I30-M702 HydrophobicContact CD1-CE 4.25Å; I30-M702 HydrophobicContact CD1-CG 4.15Å; I30-M702 HydrophobicContact CD1-SD 4.25Å; I30-M702 HydrophobicContact CG2-CE 4.45Å; I30-M702 HydrophobicContact CG2-SD 4.05Å; I30-Y766 HydrophobicContact CB-CE2 4.37Å; I30-Y766 HydrophobicContact CG2-CD2 4.1Å; I30-Y766 HydrophobicContact CG2-CE2 3.43Å; I30-Y766 VanDerWaalsContact CG2-CE2 3.43Å
31	S	94.9	Very high	91.6	Very high	37 Å²	37	34.2 Å²	34.2	26%	0.259	17%	0.173	S	C	.	.	H	α-helix	trans	-61.7	-45.8	176.2	-165.6	0	0	0	0	111	W27 I28 V29 Y33 F34 D35 Y766	W27-S31 WeakPolarHBondContact O-CB 3.48Å; W27-S31 PolarHBondContact O-N 3.19Å; I28-S31 WeakPolarHBondContact O-CB 3.45Å; I28-S31 PolarHBondContact O-N 2.97Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 3.31Å; S31-Y33 VanDerWaalsContact C-N 3.25Å; S31-Y33 PolarHBondContact O-N 3.03Å; S31-F34 PolarHBondContact O-N 3.3Å; S31-D35 WeakPolarHBondContact O-CB 3.29Å; S31-D35 PolarHBondContact O-N 3.47Å; S31-Y766 PolarHBondContact N-OH 2.93Å
32	S	94	Very high	92.2	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-58.6	-38.1	177.3	76.5	0	0	0	0	112.5	I28 V29 E36	I28-S32 PolarHBondContact O-N 3.14Å; V29-S32 PolarHBondContact O-N 2.81Å; V29-S32 PolarHBondContact O-OG 2.86Å; S32-E36 PolarHBondContact O-N 2.74Å
33	Y	95.6	Very high	92.7	Very high	8 Å²	8	29.1 Å²	29.1	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-50.9	175.1	174.2	-91.9	0	0	0	112	V29 I30 S31 E36 K37 M529 P624 W653	V29-Y33 PolarHBondContact O-N 2.97Å; I30-Y33 WeakPolarHBondContact O-CB 3.43Å; I30-Y33 PolarHBondContact O-N 3.17Å; S31-Y33 VanDerWaalsContact C-N 3.25Å; S31-Y33 PolarHBondContact O-N 3.03Å; Y33-E36 PolarHBondContact O-N 2.82Å; Y33-K37 HydrophobicContact CD2-CG 4.18Å; Y33-K37 HydrophobicContact CE2-CG 4.01Å; Y33-K37 WeakPolarHBondContact O-CB 3.46Å; Y33-K37 PolarHBondContact O-N 2.9Å; Y33-M529 HydrophobicContact CD1-CE 3.78Å; Y33-M529 HydrophobicContact CD1-CG 4.35Å; Y33-M529 HydrophobicContact CD2-CE 3.86Å; Y33-M529 HydrophobicContact CE1-CB 4.34Å; Y33-M529 HydrophobicContact CE1-CE 4.2Å; Y33-M529 HydrophobicContact CE1-CG 4.17Å; Y33-M529 HydrophobicContact CE2-CE 4.24Å; Y33-M529 HydrophobicContact CG-CE 3.6Å; Y33-M529 PolarHBondContact OH-O 3.39Å; Y33-P624 HydrophobicContact CD2-CG 4.38Å; Y33-P624 HydrophobicContact CE2-CG 4.04Å; Y33-W653 AromaticContact CD2-CD2 3.94Å; Y33-W653 HydrophobicContact CD2-CD2 3.94Å; Y33-W653 AromaticContact CD2-CE2 3.57Å; Y33-W653 HydrophobicContact CD2-CE3 4.38Å; Y33-W653 HydrophobicContact CD2-CG 4.45Å; Y33-W653 HydrophobicContact CD2-CH2 4.09Å; Y33-W653 AromaticContact CD2-CZ2 3.66Å; Y33-W653 HydrophobicContact CD2-CZ2 3.66Å; Y33-W653 HydrophobicContact CD2-CZ3 4.44Å; Y33-W653 AromaticContact CD2-NE1 3.9Å; Y33-W653 HydrophobicContact CE2-CZ2 4.31Å
34	F	95.4	Very high	93.3	Very high	14 Å²	14	27.3 Å²	27.3	6%	0.061	14%	0.141	C	C	.	.	H	α-helix	trans	-73.3	-28.1	-176.7	-75.7	-61.1	0	0	0	113.5	I30 S31 G38 L39 L528 M529 M702 Y766	I30-F34 HydrophobicContact CG2-CD2 3.62Å; I30-F34 HydrophobicContact CG2-CE2 3.46Å; I30-F34 VanDerWaalsContact CG2-CE2 3.46Å; I30-F34 WeakPolarHBondContact O-CD2 3.31Å; I30-F34 PolarHBondContact O-N 3.09Å; I30-F34 VanDerWaalsContact O-N 3.11Å; S31-F34 PolarHBondContact O-N 3.3Å; F34-G38 WeakPolarHBondContact O-CA 3.32Å; F34-G38 PolarHBondContact O-N 2.95Å; F34-L39 HydrophobicContact CD1-CD2 3.79Å; F34-L39 HydrophobicContact CE1-CD2 3.65Å; F34-L528 HydrophobicContact CZ-CB 4.1Å; F34-M529 HydrophobicContact CE2-CG 4.44Å; F34-M529 HydrophobicContact CZ-CG 4.06Å; F34-M702 HydrophobicContact CE2-SD 4.2Å; F34-M702 HydrophobicContact CZ-SD 4.48Å; F34-Y766 HydrophobicContact CB-CD1 4.06Å; F34-Y766 HydrophobicContact CB-CG 4.17Å; F34-Y766 AromaticContact CD2-CD1 3.98Å; F34-Y766 HydrophobicContact CD2-CD1 3.98Å; F34-Y766 AromaticContact CD2-CD2 3.5Å; F34-Y766 HydrophobicContact CD2-CD2 3.5Å; F34-Y766 VanDerWaalsContact CD2-CD2 3.5Å; F34-Y766 HydrophobicContact CD2-CE1 4.5Å; F34-Y766 HydrophobicContact CD2-CE2 4.04Å; F34-Y766 AromaticContact CD2-CG 3.45Å; F34-Y766 HydrophobicContact CD2-CG 3.45Å; F34-Y766 VanDerWaalsContact CD2-CG 3.45Å; F34-Y766 AromaticContact CE2-CD2 3.77Å; F34-Y766 HydrophobicContact CE2-CD2 3.77Å; F34-Y766 HydrophobicContact CE2-CE2 4.34Å; F34-Y766 HydrophobicContact CE2-CG 4.13Å; F34-Y766 HydrophobicContact CG-CD1 4.36Å; F34-Y766 HydrophobicContact CG-CD2 4.45Å; F34-Y766 AromaticContact CG-CG 3.99Å; F34-Y766 HydrophobicContact CG-CG 3.99Å
35	D	91.5	Very high	93.7	Very high	71 Å²	71	23.7 Å²	23.7	38%	0.38	13%	0.125	S	C	.	.	H	α-helix	trans	-69.7	-36.7	175.5	-69.4	-25.2	0	0	0	112	S31 R646	S31-D35 WeakPolarHBondContact O-CB 3.29Å; S31-D35 PolarHBondContact O-N 3.47Å; D35-R646 VanDerWaalsContact CB-NH1 3.3Å; D35-R646 IonicContact OD2-CZ 3.31Å; D35-R646 IonicContact OD2-NH1 2.78Å; D35-R646 PolarHBondContact OD2-NH1 3.45Å
36	E	91	Very high	93.9	Very high	53 Å²	53	23.7 Å²	23.7	25%	0.248	12%	0.124	C	C	.	.	H	α-helix	trans	-84.2	-49.1	178.8	-164.4	-170.2	114.5	0	0	112.5	S32 Y33 S652 W653 Q654	S32-E36 PolarHBondContact O-N 2.74Å; Y33-E36 PolarHBondContact O-N 2.82Å; E36-S652 VanDerWaalsContact OE2-CB 3.27Å; E36-S652 WeakPolarHBondContact OE2-CB 3.42Å; E36-S652 PolarHBondContact OE2-OG 2.91Å; E36-W653 HydrophobicContact CB-CB 4.22Å; E36-W653 WeakPolarHBondContact OE2-CA 3.37Å; E36-W653 WeakPolarHBondContact OE2-CB 3.49Å; E36-W653 PolarHBondContact OE2-N 3.4Å; E36-Q654 PolarHBondContact OE1-OE1 2.9Å; E36-Q654 PolarHBondContact OE2-N 2.99Å
37	K	90.7	Very high	94.1	Very high	34 Å²	34	23.7 Å²	23.7	15%	0.148	12%	0.124	C	C	.	.	H	α-helix	trans	-85.4	-31.8	-174.6	-57.7	-56.5	-175.6	-150.2	0	112.4	Y33 R41	Y33-K37 HydrophobicContact CD2-CG 4.18Å; Y33-K37 HydrophobicContact CE2-CG 4.01Å; Y33-K37 WeakPolarHBondContact O-CB 3.46Å; Y33-K37 PolarHBondContact O-N 2.9Å; K37-R41 VanDerWaalsContact O-CB 3.31Å; K37-R41 WeakPolarHBondContact O-CB 3.47Å; K37-R41 VanDerWaalsContact O-CD 3.23Å; K37-R41 WeakPolarHBondContact O-CD 3.36Å
38	G	93.1	Very high	94.2	Very high	31 Å²	31	23.6 Å²	23.6	32%	0.32	13%	0.125	S	C	.	.			trans	67.3	-164.2	-171.1	0	0	0	0	0	113.3	F34	F34-G38 WeakPolarHBondContact O-CA 3.32Å; F34-G38 PolarHBondContact O-N 2.95Å
39	L	93	Very high	94.2	Very high	23 Å²	23	23 Å²	23	12%	0.12	12%	0.121	C	C	.	.	S	Bend	trans	-104.6	-13.3	-172.4	-69.9	171.9	0	0	0	115.4	F34 L479 R483 L767	F34-L39 HydrophobicContact CD1-CD2 3.79Å; F34-L39 HydrophobicContact CE1-CD2 3.65Å; L39-L479 HydrophobicContact CB-CD2 4.21Å; L39-L479 HydrophobicContact CD1-CD1 3.81Å; L39-L479 HydrophobicContact CD1-CD2 3.96Å; L39-R483 VanDerWaalsContact O-CD 3.26Å; L39-R483 WeakPolarHBondContact O-CD 3.42Å; L39-R483 PolarHBondContact O-NE 3.07Å; L39-L767 HydrophobicContact CD1-CD2 3.84Å; L39-L767 HydrophobicContact CD2-CD2 4.2Å
40	V	95.1	Very high	94.2	Very high	6 Å²	6	23.1 Å²	23.1	4%	0.036	12%	0.121	C	C	.	.	S	Bend	trans	-125.4	19.9	-173.5	-60.1	0	0	0	0	113.1	Q42 Q43 L44 P181 L479 L482	V40-Q42 VanDerWaalsContact C-N 3.27Å; V40-Q42 PolarHBondContact O-N 3.47Å; V40-Q43 PolarHBondContact O-N 2.95Å; V40-L44 HydrophobicContact CG2-CD1 4.21Å; V40-P181 HydrophobicContact CG1-CB 3.92Å; V40-P181 HydrophobicContact CG2-CB 3.83Å; V40-P181 WeakPolarHBondContact CG2-O 3.17Å; V40-L479 HydrophobicContact CG1-CD2 4.45Å; V40-L482 HydrophobicContact CG1-CB 3.87Å; V40-L482 HydrophobicContact CG1-CD1 3.84Å; V40-L482 HydrophobicContact CG1-CG 4.44Å
41	R	92.4	Very high	94.1	Very high	94 Å²	94	23.4 Å²	23.4	36%	0.355	12%	0.123	S	C	.	.	H	α-helix	trans	-53.1	-42.6	-172.8	-162.4	69.8	-156.4	-178.4	6.8	113.2	K37 Q43 L44 D45	K37-R41 VanDerWaalsContact O-CB 3.31Å; K37-R41 WeakPolarHBondContact O-CB 3.47Å; K37-R41 VanDerWaalsContact O-CD 3.23Å; K37-R41 WeakPolarHBondContact O-CD 3.36Å; R41-Q43 PolarHBondContact O-N 3.42Å; R41-Q43 VanDerWaalsContact O-N 3.13Å; R41-L44 PolarHBondContact O-N 2.91Å; R41-D45 WeakPolarHBondContact CG-OD2 3.49Å; R41-D45 IonicContact CZ-OD1 2.71Å; R41-D45 IonicContact CZ-OD2 3.86Å; R41-D45 IonicContact NE-OD1 3.45Å; R41-D45 PolarHBondContact NE-OD1 3.37Å; R41-D45 IonicContact NE-OD2 3.74Å; R41-D45 PolarHBondContact NE-OD2 3.42Å; R41-D45 IonicContact NH2-OD1 2.81Å; R41-D45 PolarHBondContact NH2-OD1 3.39Å; R41-D45 IonicContact NH2-OD2 2.72Å; R41-D45 PolarHBondContact O-N 2.96Å
42	Q	93.1	Very high	94	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-56.6	-32.8	180	72.2	-72.6	-5.3	0	0	113.6	V40 S46 L395 L526 I532	V40-Q42 VanDerWaalsContact C-N 3.27Å; V40-Q42 PolarHBondContact O-N 3.47Å; Q42-S46 WeakPolarHBondContact O-CB 3.03Å; Q42-S46 PolarHBondContact O-N 3.5Å; Q42-L395 HydrophobicContact CB-CD1 4.07Å; Q42-L395 WeakPolarHBondContact O-CD1 3.23Å; Q42-L526 HydrophobicContact CG-CD1 4.28Å; Q42-I532 HydrophobicContact CB-CB 4.24Å; Q42-I532 HydrophobicContact CB-CD1 4.21Å; Q42-I532 HydrophobicContact CB-CG1 4.42Å; Q42-I532 HydrophobicContact CG-CD1 4.19Å
43	Q	94.9	Very high	93.8	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-76.1	-41.8	178.3	-66	-73.1	4.4	0	0	111.2	V40 R41 F47 M155 L194 L482	V40-Q43 PolarHBondContact O-N 2.95Å; R41-Q43 PolarHBondContact O-N 3.42Å; R41-Q43 VanDerWaalsContact O-N 3.13Å; Q43-F47 WeakPolarHBondContact O-CB 3.48Å; Q43-F47 PolarHBondContact O-N 3.31Å; Q43-M155 HydrophobicContact CB-SD 4.27Å; Q43-L194 PolarHBondContact NE2-O 3.41Å; Q43-L482 PolarHBondContact NE2-O 2.63Å; Q43-L482 VanDerWaalsContact NE2-O 3.1Å
44	L	96.3	Very high	93.5	Very high	20 Å²	20	31 Å²	31	11%	0.105	16%	0.157	C	C	.	.	H	α-helix	trans	-69	-53.3	-178.7	-63.7	174.2	0	0	0	110.7	V40 R41 S46 F47 D48 M155 L156	V40-L44 HydrophobicContact CG2-CD1 4.21Å; R41-L44 PolarHBondContact O-N 2.91Å; L44-S46 VanDerWaalsContact C-N 3.31Å; L44-S46 PolarHBondContact O-N 3.16Å; L44-F47 PolarHBondContact O-N 2.9Å; L44-D48 WeakPolarHBondContact O-CB 3.31Å; L44-D48 PolarHBondContact O-N 3.44Å; L44-M155 HydrophobicContact CD2-CG 4.4Å; L44-M155 HydrophobicContact CD2-SD 3.99Å; L44-L156 WeakPolarHBondContact CD2-O 3.43Å
45	D	94.9	Very high	93.4	Very high	27 Å²	27	30.3 Å²	30.3	14%	0.144	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-41.5	-178.6	-73	-14.5	0	0	0	111.6	R41 F47 D48 E49 V534	R41-D45 WeakPolarHBondContact CG-OD2 3.49Å; R41-D45 IonicContact CZ-OD1 2.71Å; R41-D45 IonicContact CZ-OD2 3.86Å; R41-D45 IonicContact NE-OD1 3.45Å; R41-D45 PolarHBondContact NE-OD1 3.37Å; R41-D45 IonicContact NE-OD2 3.74Å; R41-D45 PolarHBondContact NE-OD2 3.42Å; R41-D45 IonicContact NH2-OD1 2.81Å; R41-D45 PolarHBondContact NH2-OD1 3.39Å; R41-D45 IonicContact NH2-OD2 2.72Å; R41-D45 PolarHBondContact O-N 2.96Å; D45-F47 VanDerWaalsContact C-N 3.29Å; D45-F47 PolarHBondContact O-N 3.03Å; D45-D48 PolarHBondContact O-N 2.93Å; D45-E49 WeakPolarHBondContact O-CB 3.49Å; D45-E49 PolarHBondContact O-N 3.24Å; D45-V534 HydrophobicContact CB-CG1 3.67Å
46	S	95.4	Very high	93.4	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.035	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-34.3	176.2	-176.7	0	0	0	0	112.7	Q42 L44 F50 L395 G397 P398	Q42-S46 WeakPolarHBondContact O-CB 3.03Å; Q42-S46 PolarHBondContact O-N 3.5Å; L44-S46 VanDerWaalsContact C-N 3.31Å; L44-S46 PolarHBondContact O-N 3.16Å; S46-F50 WeakPolarHBondContact O-CB 3.45Å; S46-F50 PolarHBondContact O-N 3.47Å; S46-L395 VanDerWaalsContact OG-CB 3.28Å; S46-L395 WeakPolarHBondContact OG-CB 3.46Å; S46-G397 WeakPolarHBondContact O-CA 3.46Å; S46-G397 WeakPolarHBondContact OG-CA 3.39Å; S46-G397 PolarHBondContact OG-N 2.74Å; S46-P398 WeakPolarHBondContact OG-CD 3.06Å
47	F	96.8	Very high	93.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-77	-38	176.2	-178.7	-98.3	0	0	0	112.3	Q43 L44 D45 F50 I51 I154 M155 F185 L400	Q43-F47 WeakPolarHBondContact O-CB 3.48Å; Q43-F47 PolarHBondContact O-N 3.31Å; L44-F47 PolarHBondContact O-N 2.9Å; D45-F47 VanDerWaalsContact C-N 3.29Å; D45-F47 PolarHBondContact O-N 3.03Å; F47-F50 HydrophobicContact CD2-CD1 4.22Å; F47-F50 HydrophobicContact CE2-CD1 4.2Å; F47-F50 HydrophobicContact CE2-CE1 4.48Å; F47-F50 WeakPolarHBondContact O-CB 3.35Å; F47-F50 PolarHBondContact O-N 3.09Å; F47-I51 HydrophobicContact CD1-CG1 4.41Å; F47-I51 HydrophobicContact CE1-CG1 3.89Å; F47-I51 HydrophobicContact CE2-CD1 4.39Å; F47-I51 HydrophobicContact CE2-CG1 4.29Å; F47-I51 HydrophobicContact CZ-CD1 4.06Å; F47-I51 HydrophobicContact CZ-CG1 3.82Å; F47-I51 PolarHBondContact O-N 3.36Å; F47-I51 VanDerWaalsContact O-N 3.13Å; F47-I154 HydrophobicContact CE1-CD1 4.48Å; F47-I154 HydrophobicContact CZ-CD1 4.15Å; F47-M155 HydrophobicContact CB-CB 4.44Å; F47-M155 HydrophobicContact CB-CE 3.72Å; F47-M155 HydrophobicContact CB-SD 3.89Å; F47-M155 HydrophobicContact CD1-CB 3.62Å; F47-M155 HydrophobicContact CD2-CB 4.21Å; F47-M155 HydrophobicContact CD2-CE 4.19Å; F47-M155 HydrophobicContact CE1-CB 3.85Å; F47-M155 HydrophobicContact CE2-CB 4.41Å; F47-M155 HydrophobicContact CG-CB 3.81Å; F47-M155 HydrophobicContact CG-CE 4.04Å; F47-M155 HydrophobicContact CG-SD 4.27Å; F47-M155 HydrophobicContact CZ-CB 4.24Å; F47-F185 HydrophobicContact CD2-CE1 4.07Å; F47-F185 AromaticContact CD2-CZ 3.79Å; F47-F185 HydrophobicContact CD2-CZ 3.79Å; F47-F185 AromaticContact CE2-CE1 3.64Å; F47-F185 HydrophobicContact CE2-CE1 3.64Å; F47-F185 AromaticContact CE2-CZ 3.81Å; F47-F185 HydrophobicContact CE2-CZ 3.81Å; F47-F185 HydrophobicContact CZ-CE1 4.17Å; F47-L400 HydrophobicContact CD2-CD1 3.79Å; F47-L400 HydrophobicContact CE2-CD1 3.84Å
48	D	95.7	Very high	93.3	Very high	12 Å²	12	27 Å²	27	6%	0.064	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-45.6	178.5	-71.8	-35.1	0	0	0	110.8	L44 D45 F50 I51 Q52 S158 T159	L44-D48 WeakPolarHBondContact O-CB 3.31Å; L44-D48 PolarHBondContact O-N 3.44Å; D45-D48 PolarHBondContact O-N 2.93Å; D48-F50 VanDerWaalsContact C-N 3.27Å; D48-F50 PolarHBondContact O-N 2.87Å; D48-I51 PolarHBondContact O-N 3.47Å; D48-Q52 WeakPolarHBondContact O-CB 3.42Å; D48-Q52 VanDerWaalsContact O-CG 3.3Å; D48-Q52 WeakPolarHBondContact O-CG 3.38Å; D48-Q52 PolarHBondContact O-N 3.27Å; D48-S158 VanDerWaalsContact OD1-CB 3.31Å; D48-S158 WeakPolarHBondContact OD1-CB 3.48Å; D48-T159 HydrophobicContact CB-CG2 4.4Å; D48-T159 VanDerWaalsContact CG-OG1 3.27Å; D48-T159 WeakPolarHBondContact OD1-CB 3.25Å; D48-T159 PolarHBondContact OD1-N 3.49Å; D48-T159 PolarHBondContact OD1-OG1 3.34Å; D48-T159 WeakPolarHBondContact OD2-CG2 3.41Å
49	E	94.3	Very high	93.2	Very high	32 Å²	32	25.6 Å²	25.6	15%	0.15	12%	0.121	C	C	.	.	H	α-helix	trans	-57.3	-42.4	171.5	-174	-74.6	151.1	0	0	111.2	D45 I51 Q52 M53 S54 V534	D45-E49 WeakPolarHBondContact O-CB 3.49Å; D45-E49 PolarHBondContact O-N 3.24Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-I51 PolarHBondContact O-N 2.98Å; E49-Q52 PolarHBondContact O-N 3.09Å; E49-M53 PolarHBondContact O-N 3.26Å; E49-S54 PolarHBondContact O-N 2.82Å; E49-S54 PolarHBondContact OE1-OG 3.35Å; E49-S54 PolarHBondContact OE2-OG 2.92Å; E49-S54 VanDerWaalsContact OE2-OG 3.07Å; E49-V534 HydrophobicContact CB-CB 4.48Å
50	F	94.3	Very high	93	Very high	2 Å²	2	30 Å²	30	1%	0.009	14%	0.14	C	C	.	.	I	π-helix	trans	-59.6	-46.3	-178.1	159.8	-107.9	0	0	0	111.7	S46 F47 D48 S54 V55 L400 A401 F404	S46-F50 WeakPolarHBondContact O-CB 3.45Å; S46-F50 PolarHBondContact O-N 3.47Å; F47-F50 HydrophobicContact CD2-CD1 4.22Å; F47-F50 HydrophobicContact CE2-CD1 4.2Å; F47-F50 HydrophobicContact CE2-CE1 4.48Å; F47-F50 WeakPolarHBondContact O-CB 3.35Å; F47-F50 PolarHBondContact O-N 3.09Å; D48-F50 VanDerWaalsContact C-N 3.27Å; D48-F50 PolarHBondContact O-N 2.87Å; F50-S54 WeakPolarHBondContact O-CB 3.45Å; F50-S54 PolarHBondContact O-N 2.81Å; F50-V55 HydrophobicContact CD1-CG2 4.42Å; F50-V55 HydrophobicContact CD2-CG2 4.04Å; F50-V55 HydrophobicContact CE1-CG2 3.92Å; F50-V55 HydrophobicContact CE2-CG2 3.46Å; F50-V55 VanDerWaalsContact CE2-CG2 3.46Å; F50-V55 HydrophobicContact CG-CG2 4.48Å; F50-V55 HydrophobicContact CZ-CG2 3.4Å; F50-V55 VanDerWaalsContact CZ-CG2 3.4Å; F50-V55 WeakPolarHBondContact O-CG2 3.38Å; F50-V55 PolarHBondContact O-N 3.46Å; F50-L400 HydrophobicContact CD1-CB 4.17Å; F50-L400 HydrophobicContact CD1-CD1 4.17Å; F50-L400 HydrophobicContact CD2-CB 4.3Å; F50-L400 HydrophobicContact CE1-CB 3.85Å; F50-L400 HydrophobicContact CE1-CD1 4.08Å; F50-L400 HydrophobicContact CE2-CB 4.01Å; F50-L400 HydrophobicContact CG-CB 4.39Å; F50-L400 HydrophobicContact CZ-CB 3.77Å; F50-A401 HydrophobicContact CD2-CB 3.99Å; F50-A401 HydrophobicContact CE2-CB 4.11Å; F50-F404 HydrophobicContact CE2-CB 4.44Å; F50-F404 HydrophobicContact CZ-CB 4.31Å
51	I	94.6	Very high	92.5	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.036	16%	0.158	C	C	.	.	I	π-helix	trans	-72.1	-41.6	179.7	-63.5	-61.6	0	0	0	111.5	F47 D48 E49 V55 L93 I152 Y160	F47-I51 HydrophobicContact CD1-CG1 4.41Å; F47-I51 HydrophobicContact CE1-CG1 3.89Å; F47-I51 HydrophobicContact CE2-CD1 4.39Å; F47-I51 HydrophobicContact CE2-CG1 4.29Å; F47-I51 HydrophobicContact CZ-CD1 4.06Å; F47-I51 HydrophobicContact CZ-CG1 3.82Å; F47-I51 PolarHBondContact O-N 3.36Å; F47-I51 VanDerWaalsContact O-N 3.13Å; D48-I51 PolarHBondContact O-N 3.47Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-I51 PolarHBondContact O-N 2.98Å; I51-V55 HydrophobicContact CD1-CG2 4.4Å; I51-L93 HydrophobicContact CD1-CD2 4.33Å; I51-L93 HydrophobicContact CG2-CD2 3.41Å; I51-L93 VanDerWaalsContact CG2-CD2 3.41Å; I51-I152 HydrophobicContact CD1-CD1 4.38Å; I51-I152 HydrophobicContact CD1-CG2 4.05Å; I51-Y160 HydrophobicContact CB-CD2 4Å; I51-Y160 HydrophobicContact CB-CE2 3.65Å; I51-Y160 HydrophobicContact CG1-CD2 4.41Å; I51-Y160 HydrophobicContact CG2-CD1 4.45Å; I51-Y160 HydrophobicContact CG2-CD2 3.63Å; I51-Y160 HydrophobicContact CG2-CE1 4.13Å; I51-Y160 HydrophobicContact CG2-CE2 3.23Å; I51-Y160 HydrophobicContact CG2-CG 4.22Å
52	Q	91.9	Very high	92.1	Very high	106 Å²	106	29.6 Å²	29.6	50%	0.495	15%	0.148	S	C	.	.	I	π-helix	trans	-70.6	-44	-175.4	-75.2	176.2	3.4	0	0	112.8	D48 E49 Y160	D48-Q52 WeakPolarHBondContact O-CB 3.42Å; D48-Q52 VanDerWaalsContact O-CG 3.3Å; D48-Q52 WeakPolarHBondContact O-CG 3.38Å; D48-Q52 PolarHBondContact O-N 3.27Å; E49-Q52 PolarHBondContact O-N 3.09Å; Q52-Y160 HydrophobicContact CG-CE2 4.01Å; Q52-Y160 WeakPolarHBondContact CG-OH 3.28Å
53	M	89.9	Confident	91.7	Very high	85 Å²	85	33.6 Å²	33.6	42%	0.419	17%	0.174	S	C	.	.	I	π-helix	trans	-115.9	-55.1	-172.3	-55.5	-158.8	91.3	0	0	112.3	E49 V55 Q56 R57	E49-M53 PolarHBondContact O-N 3.26Å; M53-V55 PolarHBondContact O-N 3.09Å; M53-Q56 PolarHBondContact O-N 2.84Å; M53-R57 WeakPolarHBondContact O-CG 3.35Å; M53-R57 PolarHBondContact O-N 2.89Å
54	S	90.3	Very high	91.4	Very high	16 Å²	16	36.7 Å²	36.7	11%	0.112	20%	0.195	C	C	.	.	I	π-helix	trans	-62.1	-42.5	-168.7	-72	0	0	0	0	113.3	E49 F50 I58	E49-S54 PolarHBondContact O-N 2.82Å; E49-S54 PolarHBondContact OE1-OG 3.35Å; E49-S54 PolarHBondContact OE2-OG 2.92Å; E49-S54 VanDerWaalsContact OE2-OG 3.07Å; F50-S54 WeakPolarHBondContact O-CB 3.45Å; F50-S54 PolarHBondContact O-N 2.81Å; S54-I58 WeakPolarHBondContact O-CB 3.37Å; S54-I58 WeakPolarHBondContact O-CD1 3.3Å; S54-I58 WeakPolarHBondContact O-CG1 3.13Å; S54-I58 PolarHBondContact O-N 2.83Å
55	V	92.3	Very high	91.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-44.6	178.6	177.6	0	0	0	0	111.2	F50 I51 M53 I58 V59 I91 F404	F50-V55 HydrophobicContact CD1-CG2 4.42Å; F50-V55 HydrophobicContact CD2-CG2 4.04Å; F50-V55 HydrophobicContact CE1-CG2 3.92Å; F50-V55 HydrophobicContact CE2-CG2 3.46Å; F50-V55 VanDerWaalsContact CE2-CG2 3.46Å; F50-V55 HydrophobicContact CG-CG2 4.48Å; F50-V55 HydrophobicContact CZ-CG2 3.4Å; F50-V55 VanDerWaalsContact CZ-CG2 3.4Å; F50-V55 WeakPolarHBondContact O-CG2 3.38Å; F50-V55 PolarHBondContact O-N 3.46Å; I51-V55 HydrophobicContact CD1-CG2 4.4Å; M53-V55 PolarHBondContact O-N 3.09Å; V55-I58 PolarHBondContact O-N 3.01Å; V55-V59 WeakPolarHBondContact O-CG2 3.35Å; V55-V59 PolarHBondContact O-N 3.09Å; V55-I91 HydrophobicContact CB-CD1 3.75Å; V55-I91 HydrophobicContact CG1-CD1 3.43Å; V55-I91 VanDerWaalsContact CG1-CD1 3.43Å; V55-F404 HydrophobicContact CG1-CD1 4.41Å; V55-F404 HydrophobicContact CG1-CE1 3.75Å; V55-F404 HydrophobicContact CG1-CZ 3.83Å
56	Q	92.6	Very high	90.8	Very high	18 Å²	18	38.7 Å²	38.7	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-50.1	179.1	-177.8	59.9	37.7	0	0	110.4	M53 I58 V59 E60 E89 I91	M53-Q56 PolarHBondContact O-N 2.84Å; Q56-I58 VanDerWaalsContact C-N 3.32Å; Q56-I58 PolarHBondContact O-N 3.42Å; Q56-V59 PolarHBondContact O-N 3.19Å; Q56-V59 VanDerWaalsContact O-N 3.09Å; Q56-E60 PolarHBondContact NE2-OE1 3.04Å; Q56-E60 WeakPolarHBondContact O-CG 3.47Å; Q56-E60 PolarHBondContact O-N 3.11Å; Q56-E89 PolarHBondContact NE2-O 3.02Å; Q56-E89 VanDerWaalsContact NE2-O 3.07Å; Q56-I91 HydrophobicContact CB-CD1 4.13Å; Q56-I91 VanDerWaalsContact OE1-CG1 3.22Å
57	R	88.3	Confident	90.4	Very high	48 Å²	48	38.8 Å²	38.8	18%	0.181	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-38.9	178.2	-71.2	180	-178	155.8	4.1	113.1	M53 V59 E60 D61 Q537	M53-R57 WeakPolarHBondContact O-CG 3.35Å; M53-R57 PolarHBondContact O-N 2.89Å; R57-V59 VanDerWaalsContact C-N 3.27Å; R57-V59 PolarHBondContact O-N 3.32Å; R57-E60 PolarHBondContact O-N 3.08Å; R57-D61 VanDerWaalsContact O-CB 3.28Å; R57-D61 WeakPolarHBondContact O-CB 3.3Å; R57-D61 PolarHBondContact O-N 3.44Å; R57-Q537 VanDerWaalsContact NH2-CD 3.28Å
58	I	90.3	Very high	89.8	Confident	23 Å²	23	43.2 Å²	43.2	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-35.5	178	-72.2	163.1	0	0	0	111.5	S54 V55 Q56 A62 A401 F404 R405 F408	S54-I58 WeakPolarHBondContact O-CB 3.37Å; S54-I58 WeakPolarHBondContact O-CD1 3.3Å; S54-I58 WeakPolarHBondContact O-CG1 3.13Å; S54-I58 PolarHBondContact O-N 2.83Å; V55-I58 PolarHBondContact O-N 3.01Å; Q56-I58 VanDerWaalsContact C-N 3.32Å; Q56-I58 PolarHBondContact O-N 3.42Å; I58-A62 PolarHBondContact O-N 3.31Å; I58-A401 HydrophobicContact CD1-CB 4.05Å; I58-F404 HydrophobicContact CB-CD1 4.43Å; I58-F404 HydrophobicContact CD1-CD1 4.17Å; I58-F404 HydrophobicContact CG2-CD1 3.96Å; I58-F404 HydrophobicContact CG2-CE1 4.09Å; I58-R405 HydrophobicContact CD1-CB 4.25Å; I58-R405 HydrophobicContact CG2-CB 4.05Å; I58-R405 HydrophobicContact CG2-CG 4.2Å; I58-F408 HydrophobicContact CG2-CD1 4.5Å
59	V	91.3	Very high	89	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-71.9	-40.9	177.6	173.9	0	0	0	0	110.6	V55 Q56 R57 A62 F88 I91 V126 F404 F408	V55-V59 WeakPolarHBondContact O-CG2 3.35Å; V55-V59 PolarHBondContact O-N 3.09Å; Q56-V59 PolarHBondContact O-N 3.19Å; Q56-V59 VanDerWaalsContact O-N 3.09Å; R57-V59 VanDerWaalsContact C-N 3.27Å; R57-V59 PolarHBondContact O-N 3.32Å; V59-A62 WeakPolarHBondContact O-CB 3.49Å; V59-A62 PolarHBondContact O-N 2.67Å; V59-F88 HydrophobicContact CG1-CB 3.6Å; V59-I91 HydrophobicContact CB-CG2 4.28Å; V59-I91 HydrophobicContact CG1-CG2 4.42Å; V59-I91 HydrophobicContact CG2-CG2 3.92Å; V59-V126 HydrophobicContact CG1-CG2 4.06Å; V59-F404 HydrophobicContact CG2-CE1 4.35Å; V59-F408 HydrophobicContact CB-CE1 4.42Å; V59-F408 HydrophobicContact CB-CZ 4.4Å; V59-F408 HydrophobicContact CG1-CE1 4.48Å; V59-F408 HydrophobicContact CG1-CZ 4.11Å; V59-F408 HydrophobicContact CG2-CE1 4.16Å; V59-F408 HydrophobicContact CG2-CE2 4.3Å; V59-F408 HydrophobicContact CG2-CZ 3.98Å
60	E	88.6	Confident	88	Confident	114 Å²	114	48.6 Å²	48.6	53%	0.533	26%	0.255	S	S	.	.	H	α-helix	trans	-71.2	-37.6	177.6	-68.9	172.5	174.4	0	0	113.8	Q56 R57 A62	Q56-E60 PolarHBondContact NE2-OE1 3.04Å; Q56-E60 WeakPolarHBondContact O-CG 3.47Å; Q56-E60 PolarHBondContact O-N 3.11Å; R57-E60 PolarHBondContact O-N 3.08Å; E60-A62 PolarHBondContact O-N 3.18Å
61	D	85.1	Confident	86.3	Confident	76 Å²	76	52.8 Å²	52.8	41%	0.406	29%	0.29	S	S	.	.	S	Bend	trans	-68.8	-17	176.1	-177.5	58.7	0	0	0	112.2	R57 S229	R57-D61 VanDerWaalsContact O-CB 3.28Å; R57-D61 WeakPolarHBondContact O-CB 3.3Å; R57-D61 PolarHBondContact O-N 3.44Å; D61-S229 WeakPolarHBondContact OD2-CB 3.08Å; D61-S229 PolarHBondContact OD2-N 3.47Å; D61-S229 PolarHBondContact OD2-OG 2.91Å
62	A	83.3	Confident	84.5	Confident	17 Å²	17	59.9 Å²	59.9	14%	0.14	32%	0.323	C	S	.	.	S	Bend	trans	-68.6	127.2	179.2	0	0	0	0	0	110.4	I58 V59 E60 F408 L412	I58-A62 PolarHBondContact O-N 3.31Å; V59-A62 WeakPolarHBondContact O-CB 3.49Å; V59-A62 PolarHBondContact O-N 2.67Å; E60-A62 PolarHBondContact O-N 3.18Å; A62-F408 HydrophobicContact CB-CD1 4.3Å; A62-F408 HydrophobicContact CB-CE1 3.76Å; A62-L412 HydrophobicContact CB-CD1 3.7Å
63	P	84.2	Confident	82.6	Confident	91 Å²	91	63.4 Å²	63.4	59%	0.591	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-62.9	142.5	179.9	26.6	-34.2	0	0	0	110.1
64	P	89.4	Confident	81	Confident	70 Å²	70	64.4 Å²	64.4	46%	0.455	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-61.6	142.4	176.5	27.5	-34.3	0	0	0	109.6	D66 L85 L86	P64-D66 PolarHBondContact O-N 3.14Å; P64-L85 HydrophobicContact CB-CD1 3.8Å; P64-L85 HydrophobicContact CB-CG 4.43Å; P64-L85 HydrophobicContact CG-CD1 4.25Å; P64-L86 WeakPolarHBondContact CA-O 3.28Å; P64-L86 WeakPolarHBondContact CB-O 3.37Å
65	I	89.2	Confident	79.3	Confident	15 Å²	15	70.3 Å²	70.3	8%	0.077	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.7	178.8	-58.7	170.6	0	0	0	107.2	L67 L85 L86 F88 L412 I415 R416	I65-L67 HydrophobicContact CG2-CD1 4.02Å; I65-L67 HydrophobicContact CG2-CD2 4.43Å; I65-L67 HydrophobicContact CG2-CG 3.94Å; I65-L85 WeakPolarHBondContact O-CA 3.09Å; I65-L86 HydrophobicContact CB-CB 4.25Å; I65-L86 PolarHBondContact N-O 3.32Å; I65-L86 PolarHBondContact O-N 2.69Å; I65-F88 HydrophobicContact CD1-CE2 4.22Å; I65-L412 HydrophobicContact CD1-CB 4.13Å; I65-L412 HydrophobicContact CD1-CD2 3.75Å; I65-L412 HydrophobicContact CG1-CD2 4.34Å; I65-I415 HydrophobicContact CD1-CB 4.3Å; I65-I415 HydrophobicContact CD1-CG2 4.03Å; I65-R416 HydrophobicContact CG2-CB 4.17Å; I65-R416 HydrophobicContact CG2-CG 4.1Å
66	D	89.6	Confident	77.3	Confident	74 Å²	74	72.3 Å²	72.3	40%	0.396	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.5	171	75.3	-26	0	0	0	111.5	P64 R83 Y84 L85	P64-D66 PolarHBondContact O-N 3.14Å; D66-R83 IonicContact OD2-CZ 2.64Å; D66-R83 IonicContact OD2-NE 3.86Å; D66-R83 IonicContact OD2-NH2 2.85Å; D66-R83 PolarHBondContact OD2-NH2 3.34Å; D66-Y84 WeakPolarHBondContact CA-O 3.47Å; D66-L85 HydrophobicContact CB-CD1 4.19Å
67	L	86.9	Confident	75.3	Confident	7 Å²	7	81 Å²	81	4%	0.037	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.6	-177.9	-66.2	170.4	0	0	0	110.4	I65 R83 Y84 R416 A419 Q420 I423	I65-L67 HydrophobicContact CG2-CD1 4.02Å; I65-L67 HydrophobicContact CG2-CD2 4.43Å; I65-L67 HydrophobicContact CG2-CG 3.94Å; L67-R83 WeakPolarHBondContact O-CA 3.28Å; L67-Y84 PolarHBondContact N-O 3.1Å; L67-Y84 PolarHBondContact O-N 3.3Å; L67-R416 HydrophobicContact CD1-CG 4.42Å; L67-R416 HydrophobicContact CD2-CG 3.45Å; L67-R416 VanDerWaalsContact CD2-CG 3.45Å; L67-R416 HydrophobicContact CG-CG 4.36Å; L67-A419 HydrophobicContact CD1-CB 3.35Å; L67-Q420 VanDerWaalsContact CD2-OE1 3.26Å; L67-I423 HydrophobicContact CB-CD1 3.63Å; L67-I423 HydrophobicContact CD1-CD1 3.94Å; L67-I423 HydrophobicContact CG-CD1 4.42Å
68	Q	84.4	Confident	73.6	Confident	92 Å²	92	83.4 Å²	83.4	43%	0.43	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.5	175.2	-166.7	175	19.7	0	0	108.2	P81 Q420	Q68-P81 HydrophobicContact CG-CB 3.86Å; Q68-P81 HydrophobicContact CG-CG 3.73Å; Q68-P81 PolarHBondContact NE2-O 3.1Å; Q68-Q420 PolarHBondContact O-NE2 3.26Å; Q68-Q420 VanDerWaalsContact O-NE2 3.09Å
69	A	77.8	Confident	71.9	Confident	24 Å²	24	91.1 Å²	91.1	20%	0.198	51%	0.508	C	S	.	.			trans	-67.8	146.3	178.4	0	0	0	0	0	111.5	A71 P81 I423	A69-A71 PolarHBondContact O-N 2.92Å; A69-P81 HydrophobicContact CB-CB 3.91Å; A69-I423 HydrophobicContact CB-CG2 3.64Å
70	E	72.9	Confident	70.6	Confident	134 Å²	134	94.6 Å²	94.6	63%	0.626	53%	0.526	S	S	*	.			trans	-69.7	122.8	173.5	-67.4	-164.8	166.5	0	0	111.1	Q72	E70-Q72 PolarHBondContact O-N 3.49Å
71	A	60.2	Low	69.9	Low	89 Å²	89	90.5 Å²	90.5	74%	0.736	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	18.3	-170.6	0	0	0	0	0	116.1	A69	A69-A71 PolarHBondContact O-N 2.92Å
72	Q	56.8	Low	69.6	Low	156 Å²	156	88.7 Å²	88.7	73%	0.729	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.5	-162.2	-67.2	-172.4	4.2	0	0	116.5	E70	E70-Q72 PolarHBondContact O-N 3.49Å
73	H	52.3	Low	69.7	Low	181 Å²	181	93.3 Å²	93.3	84%	0.838	52%	0.516	S	S	*	.	S	Bend	trans	-126.9	7.8	-168.6	-73.3	-47.8	0	0	0	117.9
74	T	54.5	Low	69.8	Low	105 Å²	105	90.1 Å²	90.1	64%	0.644	49%	0.492	S	S	*	.			trans	-118.3	104.7	178.5	-23.6	0	0	0	0	110	G76	T74-G76 PolarHBondContact O-N 3.38Å
75	S	55.1	Low	69.9	Low	141 Å²	141	89.2 Å²	89.2	99%	0.986	48%	0.483	S	S	*	.			trans	-74.7	25.5	173.5	54.7	0	0	0	0	113.1
76	G	50.7	Low	70	Confident	43 Å²	43	88.5 Å²	88.5	44%	0.443	48%	0.48	S	S	.	.	S	Bend	trans	-143.6	140.5	-178.7	0	0	0	0	0	109.5	T74 V78	T74-G76 PolarHBondContact O-N 3.38Å; G76-V78 PolarHBondContact O-N 3.43Å
77	E	50.1	Low	70.2	Confident	200 Å²	200	89.9 Å²	89.9	94%	0.935	48%	0.483	S	S	*	.			trans	-43.1	84.6	-176.6	-62.1	169.9	165.3	0	0	114.2
78	V	53.1	Low	70.4	Confident	99 Å²	99	90.2 Å²	90.2	60%	0.6	48%	0.484	S	S	*	.			trans	-116.7	88.1	153.1	-173.8	0	0	0	0	104.6	G76 D80	G76-V78 PolarHBondContact O-N 3.43Å; V78-D80 PolarHBondContact O-N 2.91Å
79	E	55	Low	70.8	Confident	184 Å²	184	88.5 Å²	88.5	86%	0.86	48%	0.476	S	S	*	.			trans	-59.4	-27.8	-175.4	-105.9	177.5	152.7	0	0	112
80	D	63.8	Low	71.5	Confident	74 Å²	74	91.8 Å²	91.8	40%	0.396	49%	0.487	S	S	.	.	S	Bend	trans	-137.4	114.1	-179.9	-75.3	-66	0	0	0	114.5	V78 E135	V78-D80 PolarHBondContact O-N 2.91Å; D80-E135 HydrophobicContact CB-CG 3.88Å
81	P	73	Confident	72.6	Confident	29 Å²	29	86.2 Å²	86.2	19%	0.188	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-68	144.1	174	8.4	-7.8	0	0	0	111.9	Q68 A69 R83	Q68-P81 HydrophobicContact CG-CB 3.86Å; Q68-P81 HydrophobicContact CG-CG 3.73Å; Q68-P81 PolarHBondContact NE2-O 3.1Å; A69-P81 HydrophobicContact CB-CB 3.91Å; P81-R83 PolarHBondContact O-N 3.04Å
82	P	78.8	Confident	74.3	Confident	38 Å²	38	86.1 Å²	86.1	25%	0.247	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-57.3	131.8	-178.6	23.4	-34	0	0	0	111.5	Y84 K134	P82-Y84 HydrophobicContact CB-CE2 3.95Å; P82-Y84 HydrophobicContact CG-CE2 4.03Å; P82-K134 HydrophobicContact CB-CG 4Å
83	R	85.6	Confident	76.1	Confident	114 Å²	114	80.5 Å²	80.5	43%	0.43	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.2	178.4	-170.7	178.4	-176.4	-171.8	2.7	110.2	D66 L67 P81 I133	D66-R83 IonicContact OD2-CZ 2.64Å; D66-R83 IonicContact OD2-NE 3.86Å; D66-R83 IonicContact OD2-NH2 2.85Å; D66-R83 PolarHBondContact OD2-NH2 3.34Å; L67-R83 WeakPolarHBondContact O-CA 3.28Å; P81-R83 PolarHBondContact O-N 3.04Å; R83-I133 HydrophobicContact CB-CB 4.4Å; R83-I133 PolarHBondContact N-O 3.36Å; R83-I133 PolarHBondContact O-N 3.06Å
84	Y	87.7	Confident	78.1	Confident	23 Å²	23	73.9 Å²	73.9	9%	0.09	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128	177.7	-62.3	-98.4	0	0	0	109.3	D66 L67 P82 I132 I423 F429	D66-Y84 WeakPolarHBondContact CA-O 3.47Å; L67-Y84 PolarHBondContact N-O 3.1Å; L67-Y84 PolarHBondContact O-N 3.3Å; P82-Y84 HydrophobicContact CB-CE2 3.95Å; P82-Y84 HydrophobicContact CG-CE2 4.03Å; Y84-I132 HydrophobicContact CD1-CD1 4.29Å; Y84-I132 HydrophobicContact CD1-CG1 3.83Å; Y84-I132 HydrophobicContact CD1-CG2 4.32Å; Y84-I132 HydrophobicContact CE1-CD1 3.9Å; Y84-I132 HydrophobicContact CE1-CG1 3.89Å; Y84-I132 HydrophobicContact CE1-CG2 4Å; Y84-I423 HydrophobicContact CD2-CD1 3.56Å; Y84-I423 HydrophobicContact CD2-CG1 3.89Å; Y84-I423 HydrophobicContact CD2-CG2 4.42Å; Y84-I423 HydrophobicContact CE2-CD1 4.06Å; Y84-I423 HydrophobicContact CE2-CG1 3.83Å; Y84-I423 HydrophobicContact CE2-CG2 4.14Å; Y84-I423 HydrophobicContact CG-CD1 3.99Å; Y84-F429 AromaticContact CD1-CE1 3.95Å; Y84-F429 HydrophobicContact CD1-CE1 3.95Å; Y84-F429 HydrophobicContact CE1-CE1 4.45Å; Y84-F429 HydrophobicContact CG-CE1 4.31Å
85	L	90.9	Very high	80	Confident	51 Å²	51	75.1 Å²	75.1	27%	0.267	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.4	175.4	-171.2	71.3	0	0	0	109.6	P64 I65 D66 T131	P64-L85 HydrophobicContact CB-CD1 3.8Å; P64-L85 HydrophobicContact CB-CG 4.43Å; P64-L85 HydrophobicContact CG-CD1 4.25Å; I65-L85 WeakPolarHBondContact O-CA 3.09Å; D66-L85 HydrophobicContact CB-CD1 4.19Å; L85-T131 PolarHBondContact N-O 3.47Å; L85-T131 PolarHBondContact O-N 3.19Å
86	L	91.5	Very high	81.9	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.8	172.4	-61.1	171.9	0	0	0	109.7	P64 I65 K130 I415 F429 L431	P64-L86 WeakPolarHBondContact CA-O 3.28Å; P64-L86 WeakPolarHBondContact CB-O 3.37Å; I65-L86 HydrophobicContact CB-CB 4.25Å; I65-L86 PolarHBondContact N-O 3.32Å; I65-L86 PolarHBondContact O-N 2.69Å; L86-K130 HydrophobicContact CD2-CB 3.75Å; L86-K130 HydrophobicContact CD2-CD 4.4Å; L86-K130 HydrophobicContact CD2-CG 3.77Å; L86-I415 HydrophobicContact CD1-CG2 3.96Å; L86-F429 HydrophobicContact CD1-CE2 4.23Å; L86-F429 HydrophobicContact CD1-CZ 4.1Å; L86-F429 HydrophobicContact CD2-CZ 4.25Å; L86-F429 HydrophobicContact CG-CZ 4.48Å; L86-L431 HydrophobicContact CD1-CD1 4.3Å; L86-L431 HydrophobicContact CD2-CD1 4.23Å
87	K	92.6	Very high	84	Confident	103 Å²	103	67.8 Å²	67.8	45%	0.448	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.6	175.1	-179.3	-170.3	176.8	-147.5	0	109.7	E89 I128 T129	K87-E89 HydrophobicContact CD-CG 4.45Å; K87-E89 HydrophobicContact CG-CG 4.39Å; K87-E89 IonicContact NZ-OE1 3.13Å; K87-E89 PolarHBondContact NZ-OE1 2.84Å; K87-I128 WeakPolarHBondContact O-CA 3.28Å; K87-T129 WeakPolarHBondContact CB-OG1 3.35Å; K87-T129 PolarHBondContact N-O 3.45Å; K87-T129 PolarHBondContact O-N 2.88Å; K87-T129 PolarHBondContact O-OG1 3.02Å
88	F	92.3	Very high	86	Confident	14 Å²	14	59.2 Å²	59.2	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.9	178.3	-61.2	-97.4	0	0	0	108.2	V59 I65 V126 I128 F408 L412 I415	V59-F88 HydrophobicContact CG1-CB 3.6Å; I65-F88 HydrophobicContact CD1-CE2 4.22Å; F88-V126 HydrophobicContact CB-CG2 4.32Å; F88-V126 HydrophobicContact CD1-CG1 4.09Å; F88-V126 HydrophobicContact CD1-CG2 4.41Å; F88-I128 HydrophobicContact CD1-CD1 4.01Å; F88-I128 HydrophobicContact CD1-CG1 3.73Å; F88-I128 HydrophobicContact CD1-CG2 4.37Å; F88-I128 HydrophobicContact CE1-CD1 3.6Å; F88-I128 HydrophobicContact CE1-CG1 3.83Å; F88-I128 HydrophobicContact CE1-CG2 4.23Å; F88-F408 HydrophobicContact CD1-CZ 4.38Å; F88-F408 HydrophobicContact CG-CZ 4.32Å; F88-L412 HydrophobicContact CD2-CD2 3.89Å; F88-L412 HydrophobicContact CE2-CD2 3.24Å; F88-L412 HydrophobicContact CZ-CD2 3.61Å; F88-I415 HydrophobicContact CZ-CD1 4.02Å
89	E	91.4	Very high	87.7	Confident	56 Å²	56	60.4 Å²	60.4	26%	0.262	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-120.9	-172.4	-58.6	-169.3	145.6	0	0	111	Q56 K87 D127	Q56-E89 PolarHBondContact NE2-O 3.02Å; Q56-E89 VanDerWaalsContact NE2-O 3.07Å; K87-E89 HydrophobicContact CD-CG 4.45Å; K87-E89 HydrophobicContact CG-CG 4.39Å; K87-E89 IonicContact NZ-OE1 3.13Å; K87-E89 PolarHBondContact NZ-OE1 2.84Å; E89-D127 PolarHBondContact N-O 2.92Å
90	Q	94.1	Very high	89.1	Confident	93 Å²	93	54.7 Å²	54.7	44%	0.435	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	135.2	-174.7	-173.2	62.9	33	0	0	112.1	Y92 V126 D127	Q90-Y92 HydrophobicContact CB-CE2 4.39Å; Q90-Y92 HydrophobicContact CG-CE1 4.07Å; Q90-Y92 HydrophobicContact CG-CE2 4.25Å; Q90-V126 WeakPolarHBondContact O-CA 3.42Å; Q90-D127 PolarHBondContact O-N 3.37Å
91	I	94.8	Very high	90	Very high	17 Å²	17	61.9 Å²	61.9	9%	0.087	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	150.3	168.7	78.6	-173.6	0	0	0	111.3	V55 Q56 V59 L124 Y125 V126	V55-I91 HydrophobicContact CB-CD1 3.75Å; V55-I91 HydrophobicContact CG1-CD1 3.43Å; V55-I91 VanDerWaalsContact CG1-CD1 3.43Å; Q56-I91 HydrophobicContact CB-CD1 4.13Å; Q56-I91 VanDerWaalsContact OE1-CG1 3.22Å; V59-I91 HydrophobicContact CB-CG2 4.28Å; V59-I91 HydrophobicContact CG1-CG2 4.42Å; V59-I91 HydrophobicContact CG2-CG2 3.92Å; I91-L124 HydrophobicContact CB-CD1 4.27Å; I91-Y125 CarbonylContact C-O 3.56Å; I91-Y125 WeakPolarHBondContact CA-O 2.78Å; I91-V126 HydrophobicContact CG2-CG2 4.26Å
92	Y	95.4	Very high	90.4	Very high	87 Å²	87	67.9 Å²	67.9	34%	0.341	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.8	168.5	-50.2	-89.2	0	0	0	109.7	Q90 Y125 D127 K146	Q90-Y92 HydrophobicContact CB-CE2 4.39Å; Q90-Y92 HydrophobicContact CG-CE1 4.07Å; Q90-Y92 HydrophobicContact CG-CE2 4.25Å; Y92-Y125 PolarHBondContact N-O 2.86Å; Y92-Y125 PolarHBondContact O-N 3Å; Y92-D127 WeakPolarHBondContact CE2-OD1 3.35Å; Y92-D127 VanDerWaalsContact CE2-OD2 3.26Å; Y92-D127 WeakPolarHBondContact CE2-OD2 3.26Å; Y92-D127 PolarHBondContact OH-OD2 3.23Å; Y92-K146 HydrophobicContact CD2-CG 4.07Å; Y92-K146 HydrophobicContact CE2-CG 4.2Å
93	L	94.6	Very high	90.6	Very high	37 Å²	37	68 Å²	68	19%	0.194	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.9	173.3	-173.7	69	0	0	0	109.3	I51 A122 L124 I154 Y160	I51-L93 HydrophobicContact CD1-CD2 4.33Å; I51-L93 HydrophobicContact CG2-CD2 3.41Å; I51-L93 VanDerWaalsContact CG2-CD2 3.41Å; L93-A122 HydrophobicContact CD1-CB 3.92Å; L93-A122 HydrophobicContact CG-CB 4.35Å; L93-L124 HydrophobicContact CB-CD1 4.39Å; L93-L124 HydrophobicContact CD1-CB 4.35Å; L93-L124 HydrophobicContact CD1-CD1 4.11Å; L93-I154 HydrophobicContact CD2-CD1 4.02Å; L93-Y160 HydrophobicContact CD2-CD1 3.91Å; L93-Y160 HydrophobicContact CD2-CD2 4.5Å; L93-Y160 HydrophobicContact CD2-CE1 4.37Å; L93-Y160 HydrophobicContact CD2-CG 3.97Å
94	S	94.7	Very high	90.8	Very high	42 Å²	42	65.1 Å²	65.1	29%	0.294	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-79.1	169	173.1	177.6	0	0	0	0	111.3	A122 P123	S94-A122 WeakPolarHBondContact O-CB 3.36Å; S94-P123 PolarHBondContact N-O 3.49Å; S94-P123 VanDerWaalsContact N-O 3.09Å
95	K	94.3	Very high	91	Very high	132 Å²	132	67.8 Å²	67.8	57%	0.574	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-67.2	159.4	161.3	-75	177.8	166.1	-168	0	110.8	T97 L162	K95-T97 PolarHBondContact O-N 3.09Å; K95-L162 HydrophobicContact CB-CD2 4.12Å; K95-L162 HydrophobicContact CD-CD2 3.71Å; K95-L162 HydrophobicContact CG-CD2 4.24Å
96	P	96.5	Very high	91.1	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.006	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-56.4	121.2	176.9	-29.4	38.4	0	0	0	113.1	M108 Y120 A122 I154	P96-M108 PolarHBondContact O-N 2.93Å; P96-M108 VanDerWaalsContact O-N 3.12Å; P96-Y120 HydrophobicContact CB-CD2 4.28Å; P96-Y120 HydrophobicContact CB-CE1 4.24Å; P96-Y120 HydrophobicContact CB-CE2 3.72Å; P96-Y120 HydrophobicContact CG-CE1 3.77Å; P96-Y120 HydrophobicContact CG-CE2 4.09Å; P96-A122 HydrophobicContact CG-CB 4.44Å; P96-I154 HydrophobicContact CG-CB 4.24Å; P96-I154 HydrophobicContact CG-CG1 4.1Å; P96-I154 HydrophobicContact CG-CG2 4.34Å
97	T	93.8	Very high	91.2	Very high	28 Å²	28	70.9 Å²	70.9	17%	0.172	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.1	-177	52.7	0	0	0	0	111.1	K95 S106 P123	K95-T97 PolarHBondContact O-N 3.09Å; T97-S106 CarbonylContact C-O 3.55Å; T97-S106 WeakPolarHBondContact CA-O 3.48Å; T97-P123 VanDerWaalsContact OG1-CD 3.3Å; T97-P123 WeakPolarHBondContact OG1-CD 3.37Å; T97-P123 WeakPolarHBondContact OG1-CG 3.38Å
98	H	92.6	Very high	91.3	Very high	20 Å²	20	66.3 Å²	66.3	9%	0.093	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	148.5	166.2	-167.4	39.6	0	0	0	109.8	E100 P105 S106 M108 R116	H98-E100 IonicContact CD2-OE1 3.2Å; H98-E100 PolarHBondContact CD2-OE1 3.07Å; H98-E100 VanDerWaalsContact CD2-OE1 3.31Å; H98-E100 IonicContact NE2-OE1 2.67Å; H98-E100 IonicContact NE2-OE2 3.23Å; H98-P105 CarbonylContact O-C 3.53Å; H98-P105 VanDerWaalsContact O-CA 3.3Å; H98-P105 WeakPolarHBondContact O-CA 3.45Å; H98-S106 PolarHBondContact N-O 3.2Å; H98-S106 PolarHBondContact O-N 3.44Å; H98-M108 HydrophobicContact CB-CB 4.24Å; H98-M108 HydrophobicContact CB-CE 3.52Å; H98-R116 PolarHBondContact NE2-NH2 2.94Å
99	W	88.7	Confident	91.5	Very high	124 Å²	124	68.6 Å²	68.6	47%	0.47	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.2	171.2	-73.2	78.7	0	0	0	106.2	G103 P105	W99-G103 WeakPolarHBondContact CZ3-O 3.33Å; W99-P105 HydrophobicContact CD2-CB 4.13Å; W99-P105 HydrophobicContact CE3-CB 4.2Å; W99-P105 HydrophobicContact CH2-CB 4.06Å; W99-P105 HydrophobicContact CH2-CG 4.02Å; W99-P105 HydrophobicContact CZ2-CB 3.96Å; W99-P105 HydrophobicContact CZ2-CG 4.37Å; W99-P105 HydrophobicContact CZ3-CB 4.18Å; W99-P105 HydrophobicContact CZ3-CG 4.13Å
100	E	85	Confident	91.7	Very high	65 Å²	65	66 Å²	66	30%	0.304	34%	0.34	S	S	.	.			trans	-73.2	167.2	174.9	-69	-65.3	172.7	0	0	110.4	H98 D102 G103 A104 R116	H98-E100 IonicContact CD2-OE1 3.2Å; H98-E100 PolarHBondContact CD2-OE1 3.07Å; H98-E100 VanDerWaalsContact CD2-OE1 3.31Å; H98-E100 IonicContact NE2-OE1 2.67Å; H98-E100 IonicContact NE2-OE2 3.23Å; E100-D102 PolarHBondContact O-N 3.38Å; E100-G103 WeakPolarHBondContact O-CA 3.4Å; E100-G103 PolarHBondContact O-N 2.68Å; E100-A104 PolarHBondContact N-O 3.14Å; E100-A104 VanDerWaalsContact N-O 3.08Å; E100-R116 IonicContact OE1-CZ 3.75Å; E100-R116 IonicContact OE1-NH1 3.52Å; E100-R116 PolarHBondContact OE1-NH1 2.66Å; E100-R116 IonicContact OE1-NH2 2.76Å; E100-R116 PolarHBondContact OE1-NH2 3.31Å; E100-R116 IonicContact OE2-CZ 2.69Å; E100-R116 IonicContact OE2-NH1 3.96Å; E100-R116 IonicContact OE2-NH2 3.76Å; E100-R116 PolarHBondContact OE2-NH2 3.36Å
101	R	81.3	Confident	91.8	Very high	224 Å²	224	62.3 Å²	62.3	85%	0.845	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.1	-178.8	-165.9	-178	-176.5	-177.2	1.4	113	G103	R101-G103 PolarHBondContact O-N 3.24Å; R101-G103 VanDerWaalsContact O-N 3.16Å
102	D	81.9	Confident	91.8	Very high	155 Å²	155	64.1 Å²	64.1	83%	0.829	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-3.8	177	-54.9	-28.9	0	0	0	112.5	E100 A104	E100-D102 PolarHBondContact O-N 3.38Å; D102-A104 VanDerWaalsContact C-N 3.28Å; D102-A104 PolarHBondContact O-N 3.46Å
103	G	82.8	Confident	91.8	Very high	41 Å²	41	60 Å²	60	42%	0.423	32%	0.316	S	S	.	.	S	Bend	trans	80.1	5.9	-178.4	0	0	0	0	0	113.6	W99 E100 R101	W99-G103 WeakPolarHBondContact CZ3-O 3.33Å; E100-G103 WeakPolarHBondContact O-CA 3.4Å; E100-G103 PolarHBondContact O-N 2.68Å; R101-G103 PolarHBondContact O-N 3.24Å; R101-G103 VanDerWaalsContact O-N 3.16Å
104	A	89.7	Confident	91.9	Very high	54 Å²	54	58.9 Å²	58.9	45%	0.446	31%	0.309	S	S	.	.			trans	-79.6	129.4	174.8	0	0	0	0	0	111	E100 D102	E100-A104 PolarHBondContact N-O 3.14Å; E100-A104 VanDerWaalsContact N-O 3.08Å; D102-A104 VanDerWaalsContact C-N 3.28Å; D102-A104 PolarHBondContact O-N 3.46Å
105	P	92.1	Very high	91.9	Very high	79 Å²	79	58.5 Å²	58.5	51%	0.513	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.3	171.9	31.3	-32	0	0	0	111.1	H98 W99	H98-P105 CarbonylContact O-C 3.53Å; H98-P105 VanDerWaalsContact O-CA 3.3Å; H98-P105 WeakPolarHBondContact O-CA 3.45Å; W99-P105 HydrophobicContact CD2-CB 4.13Å; W99-P105 HydrophobicContact CE3-CB 4.2Å; W99-P105 HydrophobicContact CH2-CB 4.06Å; W99-P105 HydrophobicContact CH2-CG 4.02Å; W99-P105 HydrophobicContact CZ2-CB 3.96Å; W99-P105 HydrophobicContact CZ2-CG 4.37Å; W99-P105 HydrophobicContact CZ3-CB 4.18Å; W99-P105 HydrophobicContact CZ3-CG 4.13Å
106	S	92.7	Very high	92	Very high	36 Å²	36	53.4 Å²	53.4	25%	0.252	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.1	173.1	62.2	0	0	0	0	111	T97 H98 M108	T97-S106 CarbonylContact C-O 3.55Å; T97-S106 WeakPolarHBondContact CA-O 3.48Å; H98-S106 PolarHBondContact N-O 3.2Å; H98-S106 PolarHBondContact O-N 3.44Å; S106-M108 PolarHBondContact O-N 3.12Å
107	P	94.3	Very high	91.9	Very high	81 Å²	81	54.6 Å²	54.6	53%	0.526	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	127.3	171.6	27.7	-32.9	0	0	0	109.1	L162	P107-L162 HydrophobicContact CB-CD1 4.18Å
108	M	94.7	Very high	91.9	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.03	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-84.6	123	-178.3	-174.4	-179.2	-67.6	0	0	109.7	P96 H98 S106 A113 L118 Y120 L162	P96-M108 PolarHBondContact O-N 2.93Å; P96-M108 VanDerWaalsContact O-N 3.12Å; H98-M108 HydrophobicContact CB-CB 4.24Å; H98-M108 HydrophobicContact CB-CE 3.52Å; S106-M108 PolarHBondContact O-N 3.12Å; M108-A113 HydrophobicContact CG-CB 4.24Å; M108-A113 HydrophobicContact SD-CB 3.85Å; M108-L118 HydrophobicContact CE-CB 4.25Å; M108-L118 HydrophobicContact CE-CD1 4.01Å; M108-L118 HydrophobicContact SD-CB 4.32Å; M108-Y120 HydrophobicContact CG-CD2 4.08Å; M108-Y120 VanDerWaalsContact O-CE2 3.31Å; M108-Y120 WeakPolarHBondContact O-CE2 3.45Å; M108-Y120 HydrophobicContact SD-CD2 3.93Å; M108-L162 WeakPolarHBondContact O-CD1 3.48Å
109	M	95.5	Very high	92.1	Very high	62 Å²	62	53.2 Å²	53.2	31%	0.305	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-84.3	141.2	171.9	-64.3	-59.1	172.3	0	0	111.1	N111 E112 A113 L162 L174	M109-N111 PolarHBondContact O-N 3.37Å; M109-E112 HydrophobicContact CB-CB 4.19Å; M109-E112 WeakPolarHBondContact O-CB 3.05Å; M109-E112 PolarHBondContact O-N 2.96Å; M109-A113 PolarHBondContact O-N 3.43Å; M109-L162 HydrophobicContact SD-CD1 4.35Å; M109-L174 HydrophobicContact CE-CD2 3.98Å; M109-L174 HydrophobicContact SD-CD1 4.39Å; M109-L174 HydrophobicContact SD-CD2 4.01Å
110	P	96.6	Very high	92.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-43.4	-179.3	-25.9	35.3	0	0	0	113.4	E112 A113 R114 Y120 L156 L163 I186	P110-E112 VanDerWaalsContact C-N 3.32Å; P110-E112 PolarHBondContact O-N 3.45Å; P110-A113 WeakPolarHBondContact O-CB 3.33Å; P110-A113 PolarHBondContact O-N 3.43Å; P110-A113 VanDerWaalsContact O-N 3.15Å; P110-R114 WeakPolarHBondContact O-CG 3.5Å; P110-R114 PolarHBondContact O-N 3.1Å; P110-R114 VanDerWaalsContact O-N 3.09Å; P110-Y120 HydrophobicContact CB-CE2 4.37Å; P110-Y120 HydrophobicContact CG-CD2 4.35Å; P110-Y120 HydrophobicContact CG-CE2 3.71Å; P110-L156 HydrophobicContact CB-CD2 3.98Å; P110-L156 HydrophobicContact CB-CG 4.46Å; P110-L163 HydrophobicContact CG-CD1 3.87Å; P110-L163 HydrophobicContact CG-CD2 4.29Å; P110-L163 HydrophobicContact CG-CG 3.98Å; P110-I186 HydrophobicContact CB-CD1 3.95Å
111	N	96.3	Very high	93.1	Very high	16 Å²	16	44.8 Å²	44.8	9%	0.086	25%	0.247	C	C	.	.	H	α-helix	trans	-59.3	-42.8	176.9	-165.2	37.3	0	0	0	112.4	M109 A113 R114 L115 E176	M109-N111 PolarHBondContact O-N 3.37Å; N111-A113 VanDerWaalsContact C-N 3.32Å; N111-A113 PolarHBondContact O-N 3.39Å; N111-R114 WeakPolarHBondContact O-CB 3.46Å; N111-R114 PolarHBondContact O-N 3.47Å; N111-R114 PolarHBondContact OD1-NH1 3.44Å; N111-L115 WeakPolarHBondContact O-CG 3.44Å; N111-L115 PolarHBondContact O-N 3.27Å; N111-E176 WeakPolarHBondContact CB-OE1 3.4Å; N111-E176 PolarHBondContact N-OE1 3.07Å
112	E	94.9	Very high	93.8	Very high	56 Å²	56	34.1 Å²	34.1	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-60.6	-43	175.4	-171.4	-168.7	167.3	0	0	111.3	M109 P110 R114 L115 R116	M109-E112 HydrophobicContact CB-CB 4.19Å; M109-E112 WeakPolarHBondContact O-CB 3.05Å; M109-E112 PolarHBondContact O-N 2.96Å; P110-E112 VanDerWaalsContact C-N 3.32Å; P110-E112 PolarHBondContact O-N 3.45Å; E112-R114 VanDerWaalsContact C-N 3.27Å; E112-R114 PolarHBondContact O-N 3.41Å; E112-L115 PolarHBondContact O-N 3.48Å; E112-L115 VanDerWaalsContact O-N 3.13Å; E112-R116 HydrophobicContact CG-CG 4.28Å; E112-R116 WeakPolarHBondContact O-CB 3.38Å; E112-R116 PolarHBondContact O-N 3.27Å; E112-R116 WeakPolarHBondContact OE1-CD 3.49Å; E112-R116 IonicContact OE1-CZ 2.66Å; E112-R116 IonicContact OE1-NH1 2.79Å; E112-R116 PolarHBondContact OE1-NH1 2.99Å
113	A	95.9	Very high	94.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-36.9	176.8	0	0	0	0	0	112.4	M108 M109 P110 N111 N117 L118 Y120 I186	M108-A113 HydrophobicContact CG-CB 4.24Å; M108-A113 HydrophobicContact SD-CB 3.85Å; M109-A113 PolarHBondContact O-N 3.43Å; P110-A113 WeakPolarHBondContact O-CB 3.33Å; P110-A113 PolarHBondContact O-N 3.43Å; P110-A113 VanDerWaalsContact O-N 3.15Å; N111-A113 VanDerWaalsContact C-N 3.32Å; N111-A113 PolarHBondContact O-N 3.39Å; A113-N117 PolarHBondContact O-N 3.05Å; A113-L118 HydrophobicContact CB-CB 4.18Å; A113-L118 PolarHBondContact O-N 3.14Å; A113-Y120 HydrophobicContact CB-CD2 4.37Å; A113-I186 HydrophobicContact CB-CG2 4.15Å
114	R	95.6	Very high	95.1	Very high	14 Å²	14	25 Å²	25	5%	0.053	15%	0.148	C	C	.	.	H	α-helix	trans	-65.6	-46.7	173.3	-58	179	-156.6	121.5	-3	111.4	P110 N111 E112 E176 Y184 I186 E191 R743 K920	P110-R114 WeakPolarHBondContact O-CG 3.5Å; P110-R114 PolarHBondContact O-N 3.1Å; P110-R114 VanDerWaalsContact O-N 3.09Å; N111-R114 WeakPolarHBondContact O-CB 3.46Å; N111-R114 PolarHBondContact O-N 3.47Å; N111-R114 PolarHBondContact OD1-NH1 3.44Å; E112-R114 VanDerWaalsContact C-N 3.27Å; E112-R114 PolarHBondContact O-N 3.41Å; R114-E176 IonicContact CZ-OE1 3.15Å; R114-E176 IonicContact CZ-OE2 3.72Å; R114-E176 IonicContact NH1-OE1 2.82Å; R114-E176 PolarHBondContact NH1-OE1 3.46Å; R114-E176 IonicContact NH1-OE2 3.98Å; R114-E176 PolarHBondContact NH1-OE2 3.21Å; R114-E176 VanDerWaalsContact NH1-OE2 3.11Å; R114-E176 IonicContact NH2-OE1 3.84Å; R114-E176 PolarHBondContact NH2-OE1 3.47Å; R114-E176 VanDerWaalsContact NH2-OE1 3.12Å; R114-E176 IonicContact NH2-OE2 3.87Å; R114-E176 PolarHBondContact NH2-OE2 3.26Å; R114-Y184 PolarHBondContact NH2-OH 3.22Å; R114-I186 HydrophobicContact CG-CD1 3.68Å; R114-I186 HydrophobicContact CG-CG1 4.27Å; R114-I186 HydrophobicContact CG-CG2 4.27Å; R114-E191 IonicContact NE-OE1 2.78Å; R114-E191 PolarHBondContact NE-OE1 3.27Å; R114-R743 VanDerWaalsContact NE-NH1 3.15Å; R114-K920 PolarHBondContact O-NZ 3.05Å
115	L	95.6	Very high	95.4	Very high	34 Å²	34	25.4 Å²	25.4	18%	0.178	14%	0.138	C	C	.	.	H	α-helix	trans	-67.3	-49.3	-176	-68.6	177.9	0	0	0	111.9	N111 E112 N117 M744 M908 K920	N111-L115 WeakPolarHBondContact O-CG 3.44Å; N111-L115 PolarHBondContact O-N 3.27Å; E112-L115 PolarHBondContact O-N 3.48Å; E112-L115 VanDerWaalsContact O-N 3.13Å; L115-N117 VanDerWaalsContact C-N 3.27Å; L115-N117 PolarHBondContact O-N 2.92Å; L115-M744 HydrophobicContact CD2-CB 3.93Å; L115-M744 HydrophobicContact CD2-CG 3.68Å; L115-M908 HydrophobicContact CB-CE 4.37Å; L115-M908 HydrophobicContact CB-SD 3.85Å; L115-M908 HydrophobicContact CD1-SD 4.34Å; L115-M908 HydrophobicContact CD2-SD 3.97Å; L115-M908 HydrophobicContact CG-SD 4.27Å; L115-K920 WeakPolarHBondContact O-CE 3.16Å; L115-K920 PolarHBondContact O-NZ 3.13Å
116	R	94.6	Very high	95.6	Very high	24 Å²	24	21.6 Å²	21.6	9%	0.091	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	2.1	-178.5	-67.7	-179.1	68.2	-176.5	3.4	115	H98 E100 E112 L118 T910 L911	H98-R116 PolarHBondContact NE2-NH2 2.94Å; E100-R116 IonicContact OE1-CZ 3.75Å; E100-R116 IonicContact OE1-NH1 3.52Å; E100-R116 PolarHBondContact OE1-NH1 2.66Å; E100-R116 IonicContact OE1-NH2 2.76Å; E100-R116 PolarHBondContact OE1-NH2 3.31Å; E100-R116 IonicContact OE2-CZ 2.69Å; E100-R116 IonicContact OE2-NH1 3.96Å; E100-R116 IonicContact OE2-NH2 3.76Å; E100-R116 PolarHBondContact OE2-NH2 3.36Å; E112-R116 HydrophobicContact CG-CG 4.28Å; E112-R116 WeakPolarHBondContact O-CB 3.38Å; E112-R116 PolarHBondContact O-N 3.27Å; E112-R116 WeakPolarHBondContact OE1-CD 3.49Å; E112-R116 IonicContact OE1-CZ 2.66Å; E112-R116 IonicContact OE1-NH1 2.79Å; E112-R116 PolarHBondContact OE1-NH1 2.99Å; R116-L118 VanDerWaalsContact C-N 3.26Å; R116-L118 HydrophobicContact CB-CD1 4.03Å; R116-L118 HydrophobicContact CB-CD2 4.38Å; R116-L118 HydrophobicContact CB-CG 3.75Å; R116-L118 PolarHBondContact O-N 3.04Å; R116-T910 HydrophobicContact CG-CG2 4.2Å; R116-T910 WeakPolarHBondContact CG-OG1 3.39Å; R116-L911 PolarHBondContact NE-O 2.76Å
117	N	95.1	Very high	95.7	Very high	27 Å²	27	20.2 Å²	20.2	14%	0.144	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	37.8	-171.6	-63.9	-15.8	0	0	0	113.9	A113 L115 N188 F918 K920	A113-N117 PolarHBondContact O-N 3.05Å; L115-N117 VanDerWaalsContact C-N 3.27Å; L115-N117 PolarHBondContact O-N 2.92Å; N117-N188 CarbonylContact O-C 3.41Å; N117-N188 WeakPolarHBondContact O-CA 3.47Å; N117-F918 WeakPolarHBondContact ND2-CZ 3.3Å; N117-K920 WeakPolarHBondContact OD1-CE 3.34Å; N117-K920 PolarHBondContact OD1-NZ 3.09Å
118	L	95.1	Very high	95.6	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.016	8%	0.079	C	C	.	.			trans	-82.6	165.7	175	-54.8	175.5	0	0	0	110.8	M108 A113 R116 N188 G189 Q913	M108-L118 HydrophobicContact CE-CB 4.25Å; M108-L118 HydrophobicContact CE-CD1 4.01Å; M108-L118 HydrophobicContact SD-CB 4.32Å; A113-L118 HydrophobicContact CB-CB 4.18Å; A113-L118 PolarHBondContact O-N 3.14Å; R116-L118 VanDerWaalsContact C-N 3.26Å; R116-L118 HydrophobicContact CB-CD1 4.03Å; R116-L118 HydrophobicContact CB-CD2 4.38Å; R116-L118 HydrophobicContact CB-CG 3.75Å; R116-L118 PolarHBondContact O-N 3.04Å; L118-N188 PolarHBondContact O-N 2.93Å; L118-G189 PolarHBondContact O-N 3.39Å; L118-Q913 HydrophobicContact CD2-CB 3.67Å
119	T	96.8	Very high	95.5	Very high	16 Å²	16	16.3 Å²	16.3	10%	0.098	8%	0.078	C	C	.	.			trans	-99.1	118.5	168.2	-67.4	0	0	0	0	108.9	S121 I186 I187 N188 K445	T119-S121 PolarHBondContact O-N 3.37Å; T119-S121 PolarHBondContact O-OG 3.23Å; T119-I186 WeakPolarHBondContact CA-O 3.24Å; T119-I187 HydrophobicContact CG2-CD1 3.73Å; T119-I187 HydrophobicContact CG2-CG2 4.48Å; T119-N188 PolarHBondContact OG1-N 3.12Å; T119-N188 PolarHBondContact OG1-OD1 3.35Å; T119-K445 WeakPolarHBondContact OG1-CE 3.35Å
120	Y	97.6	Very high	95.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.			trans	-73	100.2	177.4	-170.7	-103.2	0	0	0	109.6	P96 M108 P110 A113 I154 L156 C161 L162 I186	P96-Y120 HydrophobicContact CB-CD2 4.28Å; P96-Y120 HydrophobicContact CB-CE1 4.24Å; P96-Y120 HydrophobicContact CB-CE2 3.72Å; P96-Y120 HydrophobicContact CG-CE1 3.77Å; P96-Y120 HydrophobicContact CG-CE2 4.09Å; M108-Y120 HydrophobicContact CG-CD2 4.08Å; M108-Y120 VanDerWaalsContact O-CE2 3.31Å; M108-Y120 WeakPolarHBondContact O-CE2 3.45Å; M108-Y120 HydrophobicContact SD-CD2 3.93Å; P110-Y120 HydrophobicContact CB-CE2 4.37Å; P110-Y120 HydrophobicContact CG-CD2 4.35Å; P110-Y120 HydrophobicContact CG-CE2 3.71Å; A113-Y120 HydrophobicContact CB-CD2 4.37Å; Y120-I154 HydrophobicContact CD1-CB 4.09Å; Y120-I154 HydrophobicContact CE1-CB 4.01Å; Y120-I154 HydrophobicContact CE1-CG2 4.04Å; Y120-I154 PolarHBondContact O-N 3.13Å; Y120-I154 VanDerWaalsContact O-N 3.08Å; Y120-L156 HydrophobicContact CD1-CD1 4.28Å; Y120-C161 PolarHBondContact OH-SG 2.87Å; Y120-L162 PolarHBondContact OH-N 3.09Å; Y120-I186 PolarHBondContact N-O 3.32Å
121	S	96.6	Very high	95	Very high	11 Å²	11	14.5 Å²	14.5	8%	0.077	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	153.7	-171.9	55	0	0	0	0	111.1	T119 I152	T119-S121 PolarHBondContact O-N 3.37Å; T119-S121 PolarHBondContact O-OG 3.23Å; S121-I152 CarbonylContact C-O 3.52Å; S121-I152 VanDerWaalsContact CA-O 3.23Å; S121-I152 WeakPolarHBondContact CA-O 3.31Å; S121-I152 VanDerWaalsContact CB-O 3.26Å; S121-I152 WeakPolarHBondContact CB-O 3.36Å
122	A	96.4	Very high	94.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.8	177.3	0	0	0	0	0	111.2	L93 S94 P96 K151 I152 I154	L93-A122 HydrophobicContact CD1-CB 3.92Å; L93-A122 HydrophobicContact CG-CB 4.35Å; S94-A122 WeakPolarHBondContact O-CB 3.36Å; P96-A122 HydrophobicContact CG-CB 4.44Å; A122-K151 CarbonylContact O-C 3.56Å; A122-K151 VanDerWaalsContact O-CA 3.28Å; A122-K151 WeakPolarHBondContact O-CA 3.43Å; A122-I152 PolarHBondContact N-O 3.36Å; A122-I152 PolarHBondContact O-N 3.36Å; A122-I154 HydrophobicContact CB-CD1 3.94Å; A122-I154 HydrophobicContact CB-CG1 3.61Å
123	P	96.3	Very high	94.1	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.013	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	136.8	174.4	27.9	-29.2	0	0	0	111.3	S94 T97 Y125 F148	S94-P123 PolarHBondContact N-O 3.49Å; S94-P123 VanDerWaalsContact N-O 3.09Å; T97-P123 VanDerWaalsContact OG1-CD 3.3Å; T97-P123 WeakPolarHBondContact OG1-CD 3.37Å; T97-P123 WeakPolarHBondContact OG1-CG 3.38Å; P123-Y125 HydrophobicContact CB-CE2 3.77Å; P123-Y125 HydrophobicContact CG-CE2 3.93Å; P123-F148 HydrophobicContact CB-CD2 4.02Å; P123-F148 HydrophobicContact CB-CE2 3.54Å
124	L	95.8	Very high	93.4	Very high	2 Å²	2	19 Å²	19	1%	0.01	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.8	177.2	-177.7	72.6	0	0	0	109.5	I91 L93 I149 G150 I152 F404	I91-L124 HydrophobicContact CB-CD1 4.27Å; L93-L124 HydrophobicContact CB-CD1 4.39Å; L93-L124 HydrophobicContact CD1-CB 4.35Å; L93-L124 HydrophobicContact CD1-CD1 4.11Å; L124-I149 HydrophobicContact CB-CG1 4.24Å; L124-I149 HydrophobicContact CD2-CD1 3.44Å; L124-I149 VanDerWaalsContact CD2-CD1 3.44Å; L124-I149 HydrophobicContact CD2-CG1 3.89Å; L124-I149 HydrophobicContact CG-CD1 3.83Å; L124-I149 HydrophobicContact CG-CG1 3.91Å; L124-I149 WeakPolarHBondContact O-CG1 3.38Å; L124-I149 PolarHBondContact O-N 3.08Å; L124-G150 PolarHBondContact N-O 3.26Å; L124-I152 HydrophobicContact CB-CG1 4.47Å; L124-I152 HydrophobicContact CD1-CD1 4.41Å; L124-I152 HydrophobicContact CD2-CD1 3.76Å; L124-I152 HydrophobicContact CD2-CG1 4.28Å; L124-I152 HydrophobicContact CG-CD1 4.48Å; L124-F404 HydrophobicContact CD2-CE2 4.04Å; L124-F404 HydrophobicContact CD2-CZ 4.08Å
125	Y	95.7	Very high	92.1	Very high	63 Å²	63	25.8 Å²	25.8	25%	0.247	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	155.5	178.6	-55.7	-91.2	0	0	0	110.3	I91 Y92 P123 K146 T147 F148	I91-Y125 CarbonylContact C-O 3.56Å; I91-Y125 WeakPolarHBondContact CA-O 2.78Å; Y92-Y125 PolarHBondContact N-O 2.86Å; Y92-Y125 PolarHBondContact O-N 3Å; P123-Y125 HydrophobicContact CB-CE2 3.77Å; P123-Y125 HydrophobicContact CG-CE2 3.93Å; Y125-K146 VanDerWaalsContact CD1-O 3.26Å; Y125-K146 WeakPolarHBondContact CD1-O 3.47Å; Y125-T147 CarbonylContact C-O 3.38Å; Y125-T147 VanDerWaalsContact CA-O 3.23Å; Y125-T147 WeakPolarHBondContact CA-O 3.39Å; Y125-F148 HydrophobicContact CD1-CB 3.85Å; Y125-F148 HydrophobicContact CD1-CD2 4.24Å; Y125-F148 HydrophobicContact CE1-CB 3.72Å; Y125-F148 AromaticContact CE1-CD2 3.87Å; Y125-F148 HydrophobicContact CE1-CD2 3.87Å; Y125-F148 HydrophobicContact CE1-CG 4.21Å
126	V	94.9	Very high	90.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.9	176.6	69.9	0	0	0	0	110.6	V59 F88 Q90 I91 I128 T147 I149	V59-V126 HydrophobicContact CG1-CG2 4.06Å; F88-V126 HydrophobicContact CB-CG2 4.32Å; F88-V126 HydrophobicContact CD1-CG1 4.09Å; F88-V126 HydrophobicContact CD1-CG2 4.41Å; Q90-V126 WeakPolarHBondContact O-CA 3.42Å; I91-V126 HydrophobicContact CG2-CG2 4.26Å; V126-I128 HydrophobicContact CG1-CD1 4.02Å; V126-I128 HydrophobicContact CG1-CG1 3.81Å; V126-T147 PolarHBondContact N-O 3.39Å; V126-T147 WeakPolarHBondContact O-CB 3.2Å; V126-T147 PolarHBondContact O-N 3.39Å; V126-I149 HydrophobicContact CB-CD1 4.16Å; V126-I149 HydrophobicContact CG1-CD1 4.1Å; V126-I149 HydrophobicContact CG1-CG1 4.43Å; V126-I149 HydrophobicContact CG1-CG2 3.49Å; V126-I149 VanDerWaalsContact CG1-CG2 3.49Å
127	D	94.8	Very high	89.7	Confident	7 Å²	7	32.8 Å²	32.8	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.9	169.5	-69.3	-19.1	0	0	0	110.3	E89 Q90 Y92 Q145 K146	E89-D127 PolarHBondContact N-O 2.92Å; Q90-D127 PolarHBondContact O-N 3.37Å; Y92-D127 WeakPolarHBondContact CE2-OD1 3.35Å; Y92-D127 VanDerWaalsContact CE2-OD2 3.26Å; Y92-D127 WeakPolarHBondContact CE2-OD2 3.26Å; Y92-D127 PolarHBondContact OH-OD2 3.23Å; D127-Q145 VanDerWaalsContact OD1-CA 3.24Å; D127-Q145 WeakPolarHBondContact OD1-CA 3.23Å; D127-K146 PolarHBondContact OD1-N 2.76Å
128	I	93.3	Very high	88.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.6	-178	-48.3	174.5	0	0	0	109	K87 F88 V126 H144 T147 L431 I435	K87-I128 WeakPolarHBondContact O-CA 3.28Å; F88-I128 HydrophobicContact CD1-CD1 4.01Å; F88-I128 HydrophobicContact CD1-CG1 3.73Å; F88-I128 HydrophobicContact CD1-CG2 4.37Å; F88-I128 HydrophobicContact CE1-CD1 3.6Å; F88-I128 HydrophobicContact CE1-CG1 3.83Å; F88-I128 HydrophobicContact CE1-CG2 4.23Å; V126-I128 HydrophobicContact CG1-CD1 4.02Å; V126-I128 HydrophobicContact CG1-CG1 3.81Å; I128-H144 PolarHBondContact N-O 2.83Å; I128-H144 PolarHBondContact O-N 3Å; I128-T147 HydrophobicContact CD1-CG2 4.05Å; I128-L431 HydrophobicContact CB-CD2 3.83Å; I128-L431 HydrophobicContact CD1-CD2 3.86Å; I128-L431 HydrophobicContact CD1-CG 4.32Å; I128-L431 HydrophobicContact CG1-CD2 4.43Å; I128-L431 HydrophobicContact CG2-CD1 4.47Å; I128-L431 HydrophobicContact CG2-CD2 3.68Å; I128-I435 HydrophobicContact CD1-CD1 3.58Å
129	T	92.6	Very high	88	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.7	172.5	55.3	0	0	0	0	109.5	K87 Q143	K87-T129 WeakPolarHBondContact CB-OG1 3.35Å; K87-T129 PolarHBondContact N-O 3.45Å; K87-T129 PolarHBondContact O-N 2.88Å; K87-T129 PolarHBondContact O-OG1 3.02Å; T129-Q143 HydrophobicContact CG2-CB 4.39Å; T129-Q143 HydrophobicContact CG2-CG 3.97Å
130	K	90.8	Very high	87.3	Confident	10 Å²	10	48.9 Å²	48.9	4%	0.043	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.5	173.3	178.3	-178	178.4	-173	0	108.6	L86 I132 Q141 T142 D428 F429	L86-K130 HydrophobicContact CD2-CB 3.75Å; L86-K130 HydrophobicContact CD2-CD 4.4Å; L86-K130 HydrophobicContact CD2-CG 3.77Å; K130-I132 HydrophobicContact CG-CG1 4.49Å; K130-Q141 WeakPolarHBondContact O-CA 3.17Å; K130-T142 PolarHBondContact N-O 3.22Å; K130-T142 PolarHBondContact O-N 3.5Å; K130-D428 VanDerWaalsContact NZ-CG 3.28Å; K130-D428 IonicContact NZ-OD1 3.13Å; K130-D428 PolarHBondContact NZ-OD1 2.88Å; K130-D428 IonicContact NZ-OD2 3.34Å; K130-D428 PolarHBondContact NZ-OD2 3.32Å; K130-D428 VanDerWaalsContact NZ-OD2 3.13Å; K130-F429 HydrophobicContact CD-CZ 4.48Å; K130-F429 PolarHBondContact NZ-O 2.99Å
131	T	90.3	Very high	86.7	Confident	15 Å²	15	55 Å²	55	9%	0.092	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.5	175.4	-50.8	0	0	0	0	109.2	L85 I133 Q139	L85-T131 PolarHBondContact N-O 3.47Å; L85-T131 PolarHBondContact O-N 3.19Å; T131-I133 HydrophobicContact CG2-CG1 4.12Å; T131-Q139 HydrophobicContact CG2-CB 4.27Å
132	I	87.6	Confident	86.3	Confident	24 Å²	24	57.8 Å²	57.8	12%	0.123	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.5	175.4	-52.3	177.2	0	0	0	107.5	Y84 K130 K134 L140	Y84-I132 HydrophobicContact CD1-CD1 4.29Å; Y84-I132 HydrophobicContact CD1-CG1 3.83Å; Y84-I132 HydrophobicContact CD1-CG2 4.32Å; Y84-I132 HydrophobicContact CE1-CD1 3.9Å; Y84-I132 HydrophobicContact CE1-CG1 3.89Å; Y84-I132 HydrophobicContact CE1-CG2 4Å; K130-I132 HydrophobicContact CG-CG1 4.49Å; I132-K134 HydrophobicContact CG2-CG 4.42Å; I132-L140 PolarHBondContact N-O 3.37Å; I132-L140 PolarHBondContact O-N 3.21Å
133	I	86	Confident	85.9	Confident	55 Å²	55	62.4 Å²	62.4	28%	0.282	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.4	178.5	-53.8	172.8	0	0	0	107.1	R83 T131 Q139	R83-I133 HydrophobicContact CB-CB 4.4Å; R83-I133 PolarHBondContact N-O 3.36Å; R83-I133 PolarHBondContact O-N 3.06Å; T131-I133 HydrophobicContact CG2-CG1 4.12Å; I133-Q139 HydrophobicContact CG1-CG 4.25Å
134	K	80.3	Confident	85.6	Confident	89 Å²	89	64.8 Å²	64.8	39%	0.387	34%	0.339	S	S	.	.			trans	-116.6	137.9	169.4	-70.3	174.6	-176.4	175.3	0	107.7	P82 I132 G136 E137	P82-K134 HydrophobicContact CB-CG 4Å; I132-K134 HydrophobicContact CG2-CG 4.42Å; K134-G136 PolarHBondContact O-N 3.49Å; K134-E137 HydrophobicContact CB-CB 4.45Å; K134-E137 VanDerWaalsContact CD-OE2 3.26Å; K134-E137 WeakPolarHBondContact CD-OE2 3.42Å; K134-E137 IonicContact NZ-OE2 3.78Å; K134-E137 PolarHBondContact NZ-OE2 3.31Å; K134-E137 PolarHBondContact O-N 2.72Å
135	E	67.6	Low	85.3	Confident	155 Å²	155	70.8 Å²	70.8	72%	0.724	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	128.2	175	-69.3	-142	154.2	0	0	110.5	D80	D80-E135 HydrophobicContact CB-CG 3.88Å
136	G	67.8	Low	85.1	Confident	91 Å²	91	74 Å²	74	94%	0.938	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-5.8	178.7	0	0	0	0	0	117	K134	K134-G136 PolarHBondContact O-N 3.49Å
137	E	72.3	Confident	85.1	Confident	114 Å²	114	74.4 Å²	74.4	53%	0.533	39%	0.385	S	S	.	.	S	Bend	trans	-116.6	154.7	173.1	-81.1	-174.7	158.5	0	0	111.5	K134	K134-E137 HydrophobicContact CB-CB 4.45Å; K134-E137 VanDerWaalsContact CD-OE2 3.26Å; K134-E137 WeakPolarHBondContact CD-OE2 3.42Å; K134-E137 IonicContact NZ-OE2 3.78Å; K134-E137 PolarHBondContact NZ-OE2 3.31Å; K134-E137 PolarHBondContact O-N 2.72Å
138	D	72.9	Confident	85.1	Confident	155 Å²	155	77.4 Å²	77.4	83%	0.829	40%	0.398	S	S	*	.			trans	-60.8	144	171.3	-78.9	-30.8	0	0	0	111.3	L140	D138-L140 PolarHBondContact O-N 2.91Å; D138-L140 VanDerWaalsContact O-N 3.12Å
139	Q	81.1	Confident	85.1	Confident	130 Å²	130	77.4 Å²	77.4	61%	0.607	40%	0.398	S	S	*	.			trans	-64.3	114	179.1	-62.6	-176.6	4.3	0	0	110.4	T131 I133 Q141	T131-Q139 HydrophobicContact CG2-CB 4.27Å; I133-Q139 HydrophobicContact CG1-CG 4.25Å; Q139-Q141 PolarHBondContact O-N 2.84Å
140	L	82.1	Confident	85.3	Confident	100 Å²	100	77.2 Å²	77.2	52%	0.524	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	105.7	176.2	-69.9	165.4	0	0	0	109	I132 D138	I132-L140 PolarHBondContact N-O 3.37Å; I132-L140 PolarHBondContact O-N 3.21Å; D138-L140 PolarHBondContact O-N 2.91Å; D138-L140 VanDerWaalsContact O-N 3.12Å
141	Q	85.6	Confident	85.5	Confident	127 Å²	127	80 Å²	80	59%	0.593	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.9	175.4	-171.7	176.3	3.6	0	0	110.6	K130 Q139	K130-Q141 WeakPolarHBondContact O-CA 3.17Å; Q139-Q141 PolarHBondContact O-N 2.84Å
142	T	87.5	Confident	85.8	Confident	70 Å²	70	79.4 Å²	79.4	43%	0.429	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.2	174.6	-50.5	0	0	0	0	109.3	K130	K130-T142 PolarHBondContact N-O 3.22Å; K130-T142 PolarHBondContact O-N 3.5Å
143	Q	89.2	Confident	86.2	Confident	97 Å²	97	78.6 Å²	78.6	45%	0.453	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.5	174.9	-167.8	179.1	37.6	0	0	110.1	T129 Q145	T129-Q143 HydrophobicContact CG2-CB 4.39Å; T129-Q143 HydrophobicContact CG2-CG 3.97Å; Q143-Q145 HydrophobicContact CG-CG 4.33Å
144	H	88.9	Confident	86.8	Confident	53 Å²	53	76 Å²	76	25%	0.245	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	106.3	171.1	-68.5	-94.2	0	0	0	108.8	I128 L431	I128-H144 PolarHBondContact N-O 2.83Å; I128-H144 PolarHBondContact O-N 3Å; H144-L431 HydrophobicContact CB-CD2 4.18Å
145	Q	89.6	Confident	87.6	Confident	127 Å²	127	71.8 Å²	71.8	59%	0.593	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	141.8	179.5	-67.1	-163.6	-9.6	0	0	112.1	D127 Q143 T147	D127-Q145 VanDerWaalsContact OD1-CA 3.24Å; D127-Q145 WeakPolarHBondContact OD1-CA 3.23Å; Q143-Q145 HydrophobicContact CG-CG 4.33Å; Q145-T147 PolarHBondContact O-N 3.28Å
146	K	91.8	Very high	89.1	Confident	130 Å²	130	64.4 Å²	64.4	57%	0.565	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.4	49.8	173.1	-59.4	-179.2	-179.3	177.8	0	113.3	Y92 Y125 D127	Y92-K146 HydrophobicContact CD2-CG 4.07Å; Y92-K146 HydrophobicContact CE2-CG 4.2Å; Y125-K146 VanDerWaalsContact CD1-O 3.26Å; Y125-K146 WeakPolarHBondContact CD1-O 3.47Å; D127-K146 PolarHBondContact OD1-N 2.76Å
147	T	94.6	Very high	90.4	Very high	9 Å²	9	63.2 Å²	63.2	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.6	176.6	-52.7	0	0	0	0	110.1	Y125 V126 I128 Q145 I149 I435	Y125-T147 CarbonylContact C-O 3.38Å; Y125-T147 VanDerWaalsContact CA-O 3.23Å; Y125-T147 WeakPolarHBondContact CA-O 3.39Å; V126-T147 PolarHBondContact N-O 3.39Å; V126-T147 WeakPolarHBondContact O-CB 3.2Å; V126-T147 PolarHBondContact O-N 3.39Å; I128-T147 HydrophobicContact CD1-CG2 4.05Å; Q145-T147 PolarHBondContact O-N 3.28Å; T147-I149 PolarHBondContact O-N 3.01Å; T147-I435 HydrophobicContact CG2-CD1 3.43Å; T147-I435 VanDerWaalsContact CG2-CD1 3.43Å
148	F	95.1	Very high	91.5	Very high	70 Å²	70	57.8 Å²	57.8	31%	0.307	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.9	-178.9	177.8	-114.3	0	0	0	111.8	P123 Y125 G150 K151 T437	P123-F148 HydrophobicContact CB-CD2 4.02Å; P123-F148 HydrophobicContact CB-CE2 3.54Å; Y125-F148 HydrophobicContact CD1-CB 3.85Å; Y125-F148 HydrophobicContact CD1-CD2 4.24Å; Y125-F148 HydrophobicContact CE1-CB 3.72Å; Y125-F148 AromaticContact CE1-CD2 3.87Å; Y125-F148 HydrophobicContact CE1-CD2 3.87Å; Y125-F148 HydrophobicContact CE1-CG 4.21Å; F148-G150 WeakPolarHBondContact CE2-O 3.48Å; F148-K151 HydrophobicContact CE2-CG 4.28Å; F148-K151 HydrophobicContact CZ-CG 3.98Å; F148-T437 HydrophobicContact CD1-CG2 3.63Å; F148-T437 HydrophobicContact CE1-CG2 3.74Å
149	I	94.6	Very high	92.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-18.4	-177.6	54.2	167.5	0	0	0	114.2	L124 V126 T147 I435 T437	L124-I149 HydrophobicContact CB-CG1 4.24Å; L124-I149 HydrophobicContact CD2-CD1 3.44Å; L124-I149 VanDerWaalsContact CD2-CD1 3.44Å; L124-I149 HydrophobicContact CD2-CG1 3.89Å; L124-I149 HydrophobicContact CG-CD1 3.83Å; L124-I149 HydrophobicContact CG-CG1 3.91Å; L124-I149 WeakPolarHBondContact O-CG1 3.38Å; L124-I149 PolarHBondContact O-N 3.08Å; V126-I149 HydrophobicContact CB-CD1 4.16Å; V126-I149 HydrophobicContact CG1-CD1 4.1Å; V126-I149 HydrophobicContact CG1-CG1 4.43Å; V126-I149 HydrophobicContact CG1-CG2 3.49Å; V126-I149 VanDerWaalsContact CG1-CG2 3.49Å; T147-I149 PolarHBondContact O-N 3.01Å; I149-I435 HydrophobicContact CB-CG2 4.46Å; I149-I435 HydrophobicContact CG2-CD1 4.42Å; I149-I435 HydrophobicContact CG2-CG2 4.05Å; I149-T437 WeakPolarHBondContact O-CA 3.49Å
150	G	95	Very high	93.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158	-173.8	176.8	0	0	0	0	0	113.3	L124 F148 S441	L124-G150 PolarHBondContact N-O 3.26Å; F148-G150 WeakPolarHBondContact CE2-O 3.48Å; G150-S441 VanDerWaalsContact CA-OG 3.28Å; G150-S441 WeakPolarHBondContact CA-OG 3.44Å
151	K	95.6	Very high	93.9	Very high	68 Å²	68	46 Å²	46	30%	0.296	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135	176.9	-59.6	-176.4	-179.3	-178.8	0	110.9	A122 F148 S441	A122-K151 CarbonylContact O-C 3.56Å; A122-K151 VanDerWaalsContact O-CA 3.28Å; A122-K151 WeakPolarHBondContact O-CA 3.43Å; F148-K151 HydrophobicContact CE2-CG 4.28Å; F148-K151 HydrophobicContact CZ-CG 3.98Å; K151-S441 PolarHBondContact N-OG 3.3Å
152	I	96.4	Very high	94.3	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.4	172.3	-67	-174.2	0	0	0	109.1	I51 S121 A122 L124 I154 F404 L444	I51-I152 HydrophobicContact CD1-CD1 4.38Å; I51-I152 HydrophobicContact CD1-CG2 4.05Å; S121-I152 CarbonylContact C-O 3.52Å; S121-I152 VanDerWaalsContact CA-O 3.23Å; S121-I152 WeakPolarHBondContact CA-O 3.31Å; S121-I152 VanDerWaalsContact CB-O 3.26Å; S121-I152 WeakPolarHBondContact CB-O 3.36Å; A122-I152 PolarHBondContact N-O 3.36Å; A122-I152 PolarHBondContact O-N 3.36Å; L124-I152 HydrophobicContact CB-CG1 4.47Å; L124-I152 HydrophobicContact CD1-CD1 4.41Å; L124-I152 HydrophobicContact CD2-CD1 3.76Å; L124-I152 HydrophobicContact CD2-CG1 4.28Å; L124-I152 HydrophobicContact CG-CD1 4.48Å; I152-I154 HydrophobicContact CG2-CD1 4.44Å; I152-I154 PolarHBondContact O-N 2.89Å; I152-F404 HydrophobicContact CD1-CD2 4.47Å; I152-F404 HydrophobicContact CD1-CE2 4.24Å; I152-L444 HydrophobicContact CG1-CD1 4.18Å
153	P	97.3	Very high	94.7	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.039	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	129.5	170.3	-25	37.6	0	0	0	111.7	F185 I187 L444 L448	P153-F185 HydrophobicContact CB-CD1 4.1Å; P153-F185 WeakPolarHBondContact O-CE1 3.44Å; P153-I187 HydrophobicContact CB-CD1 3.74Å; P153-I187 HydrophobicContact CG-CD1 4.03Å; P153-L444 HydrophobicContact CG-CB 4.34Å; P153-L448 HydrophobicContact CB-CD1 3.84Å; P153-L448 HydrophobicContact CG-CD1 3.76Å
154	I	97.8	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-99.7	136.2	-176.3	-60.8	-56.3	0	0	0	110.2	F47 L93 P96 Y120 A122 I152 C161	F47-I154 HydrophobicContact CE1-CD1 4.48Å; F47-I154 HydrophobicContact CZ-CD1 4.15Å; L93-I154 HydrophobicContact CD2-CD1 4.02Å; P96-I154 HydrophobicContact CG-CB 4.24Å; P96-I154 HydrophobicContact CG-CG1 4.1Å; P96-I154 HydrophobicContact CG-CG2 4.34Å; Y120-I154 HydrophobicContact CD1-CB 4.09Å; Y120-I154 HydrophobicContact CE1-CB 4.01Å; Y120-I154 HydrophobicContact CE1-CG2 4.04Å; Y120-I154 PolarHBondContact O-N 3.13Å; Y120-I154 VanDerWaalsContact O-N 3.08Å; A122-I154 HydrophobicContact CB-CD1 3.94Å; A122-I154 HydrophobicContact CB-CG1 3.61Å; I152-I154 HydrophobicContact CG2-CD1 4.44Å; I152-I154 PolarHBondContact O-N 2.89Å; I154-C161 HydrophobicContact CG2-CB 4.3Å
155	M	97.9	Very high	94.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-75.3	140.1	175.8	-171.3	177.7	-72.4	0	0	110.4	Q43 L44 F47 S158 G183 F185 A396	Q43-M155 HydrophobicContact CB-SD 4.27Å; L44-M155 HydrophobicContact CD2-CG 4.4Å; L44-M155 HydrophobicContact CD2-SD 3.99Å; F47-M155 HydrophobicContact CB-CB 4.44Å; F47-M155 HydrophobicContact CB-CE 3.72Å; F47-M155 HydrophobicContact CB-SD 3.89Å; F47-M155 HydrophobicContact CD1-CB 3.62Å; F47-M155 HydrophobicContact CD2-CB 4.21Å; F47-M155 HydrophobicContact CD2-CE 4.19Å; F47-M155 HydrophobicContact CE1-CB 3.85Å; F47-M155 HydrophobicContact CE2-CB 4.41Å; F47-M155 HydrophobicContact CG-CB 3.81Å; F47-M155 HydrophobicContact CG-CE 4.04Å; F47-M155 HydrophobicContact CG-SD 4.27Å; F47-M155 HydrophobicContact CZ-CB 4.24Å; M155-S158 PolarHBondContact O-N 3.06Å; M155-S158 PolarHBondContact O-OG 2.89Å; M155-S158 VanDerWaalsContact O-OG 3.13Å; M155-G183 VanDerWaalsContact SD-CA 3.56Å; M155-F185 HydrophobicContact CB-CD1 4.32Å; M155-F185 HydrophobicContact CB-CE1 3.8Å; M155-F185 HydrophobicContact CB-CZ 4.01Å; M155-F185 HydrophobicContact CE-CE1 4.46Å; M155-F185 HydrophobicContact CE-CE2 3.58Å; M155-F185 HydrophobicContact CE-CZ 3.52Å; M155-F185 HydrophobicContact CG-CZ 4.46Å; M155-A396 HydrophobicContact CE-CB 3.76Å
156	L	97.3	Very high	95.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	138.5	179.3	-86.1	77	0	0	0	111.2	L44 P110 Y120 S158 G183 Y184 I186	L44-L156 WeakPolarHBondContact CD2-O 3.43Å; P110-L156 HydrophobicContact CB-CD2 3.98Å; P110-L156 HydrophobicContact CB-CG 4.46Å; Y120-L156 HydrophobicContact CD1-CD1 4.28Å; L156-S158 PolarHBondContact O-N 3.39Å; L156-G183 PolarHBondContact O-N 2.85Å; L156-Y184 HydrophobicContact CD1-CD2 4.5Å; L156-Y184 HydrophobicContact CD1-CE2 4.27Å; L156-Y184 WeakPolarHBondContact CD1-O 3.45Å; L156-Y184 HydrophobicContact CD2-CE1 4.3Å; L156-Y184 HydrophobicContact CD2-CE2 4Å; L156-Y184 PolarHBondContact N-O 3.06Å; L156-I186 HydrophobicContact CD1-CD1 3.7Å; L156-I186 HydrophobicContact CD1-CG1 3.72Å; L156-I186 HydrophobicContact CD2-CD1 3.86Å; L156-I186 HydrophobicContact CD2-CG1 4.49Å; L156-I186 HydrophobicContact CG-CD1 4.35Å
157	R	95.5	Very high	95.4	Very high	65 Å²	65	32.1 Å²	32.1	25%	0.245	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	12.8	-175.7	-61.5	-164.9	173.1	-166	4.4	116	C161 L163 C177 P178 D180	R157-C161 PolarHBondContact N-SG 2.91Å; R157-L163 HydrophobicContact CG-CB 4.3Å; R157-C177 PolarHBondContact NH2-O 2.98Å; R157-P178 PolarHBondContact NH1-O 2.95Å; R157-P178 VanDerWaalsContact NH1-O 3.08Å; R157-P178 VanDerWaalsContact NH2-C 3.31Å; R157-P178 PolarHBondContact NH2-O 2.94Å; R157-D180 PolarHBondContact NE-O 3.22Å; R157-D180 VanDerWaalsContact NE-O 3.08Å; R157-D180 PolarHBondContact NH1-O 2.78Å; R157-D180 PolarHBondContact NH2-O 3.1Å
158	S	96.3	Very high	95.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-73.5	167.3	167.5	82.3	0	0	0	0	111	D48 M155 L156 Y160 C161 S164	D48-S158 VanDerWaalsContact OD1-CB 3.31Å; D48-S158 WeakPolarHBondContact OD1-CB 3.48Å; M155-S158 PolarHBondContact O-N 3.06Å; M155-S158 PolarHBondContact O-OG 2.89Å; M155-S158 VanDerWaalsContact O-OG 3.13Å; L156-S158 PolarHBondContact O-N 3.39Å; S158-Y160 PolarHBondContact O-N 3.15Å; S158-Y160 VanDerWaalsContact O-N 3.13Å; S158-C161 WeakPolarHBondContact O-CB 3.46Å; S158-C161 PolarHBondContact O-N 3.35Å; S158-S164 WeakPolarHBondContact O-CB 3.49Å
159	T	95.3	Very high	95.5	Very high	68 Å²	68	41.9 Å²	41.9	42%	0.417	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.3	-177.6	54.7	0	0	0	0	114	D48	D48-T159 HydrophobicContact CB-CG2 4.4Å; D48-T159 VanDerWaalsContact CG-OG1 3.27Å; D48-T159 WeakPolarHBondContact OD1-CB 3.25Å; D48-T159 PolarHBondContact OD1-N 3.49Å; D48-T159 PolarHBondContact OD1-OG1 3.34Å; D48-T159 WeakPolarHBondContact OD2-CG2 3.41Å
160	Y	94.6	Very high	95.6	Very high	65 Å²	65	43.9 Å²	43.9	26%	0.255	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-1	179	-62.2	-81.1	0	0	0	114.7	I51 Q52 L93 S158	I51-Y160 HydrophobicContact CB-CD2 4Å; I51-Y160 HydrophobicContact CB-CE2 3.65Å; I51-Y160 HydrophobicContact CG1-CD2 4.41Å; I51-Y160 HydrophobicContact CG2-CD1 4.45Å; I51-Y160 HydrophobicContact CG2-CD2 3.63Å; I51-Y160 HydrophobicContact CG2-CE1 4.13Å; I51-Y160 HydrophobicContact CG2-CE2 3.23Å; I51-Y160 HydrophobicContact CG2-CG 4.22Å; Q52-Y160 HydrophobicContact CG-CE2 4.01Å; Q52-Y160 WeakPolarHBondContact CG-OH 3.28Å; L93-Y160 HydrophobicContact CD2-CD1 3.91Å; L93-Y160 HydrophobicContact CD2-CD2 4.5Å; L93-Y160 HydrophobicContact CD2-CE1 4.37Å; L93-Y160 HydrophobicContact CD2-CG 3.97Å; S158-Y160 PolarHBondContact O-N 3.15Å; S158-Y160 VanDerWaalsContact O-N 3.13Å
161	C	96.1	Very high	95.7	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.027	24%	0.238	C	C	.	.	S	Bend	trans	-81.9	146.2	176.5	-166.7	0	0	0	0	110.9	Y120 I154 R157 S158 L163 S164	Y120-C161 PolarHBondContact OH-SG 2.87Å; I154-C161 HydrophobicContact CG2-CB 4.3Å; R157-C161 PolarHBondContact N-SG 2.91Å; S158-C161 WeakPolarHBondContact O-CB 3.46Å; S158-C161 PolarHBondContact O-N 3.35Å; C161-L163 PolarHBondContact O-N 3.32Å; C161-S164 PolarHBondContact O-N 2.89Å
162	L	94.8	Very high	95.7	Very high	32 Å²	32	44.1 Å²	44.1	17%	0.168	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-25	174.4	-67.7	176.7	0	0	0	113.8	K95 P107 M108 M109 Y120 S164	K95-L162 HydrophobicContact CB-CD2 4.12Å; K95-L162 HydrophobicContact CD-CD2 3.71Å; K95-L162 HydrophobicContact CG-CD2 4.24Å; P107-L162 HydrophobicContact CB-CD1 4.18Å; M108-L162 WeakPolarHBondContact O-CD1 3.48Å; M109-L162 HydrophobicContact SD-CD1 4.35Å; Y120-L162 PolarHBondContact OH-N 3.09Å; L162-S164 VanDerWaalsContact C-N 3.29Å; L162-S164 PolarHBondContact O-N 3.13Å
163	L	95	Very high	95.7	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.047	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-11	-178.5	-57.2	-176.1	0	0	0	113.5	P110 R157 C161 L166 L171 L174 E176	P110-L163 HydrophobicContact CG-CD1 3.87Å; P110-L163 HydrophobicContact CG-CD2 4.29Å; P110-L163 HydrophobicContact CG-CG 3.98Å; R157-L163 HydrophobicContact CG-CB 4.3Å; C161-L163 PolarHBondContact O-N 3.32Å; L163-L166 HydrophobicContact CD2-CD1 4.33Å; L163-L171 HydrophobicContact CB-CD2 4.2Å; L163-L171 HydrophobicContact CD2-CD2 3.93Å; L163-L171 HydrophobicContact CG-CD2 4.5Å; L163-L174 HydrophobicContact CD2-CD1 4.25Å; L163-E176 HydrophobicContact CD1-CG 4.23Å; L163-E176 HydrophobicContact CD2-CG 4.15Å
164	S	93.3	Very high	95.6	Very high	57 Å²	57	52.9 Å²	52.9	40%	0.399	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	131.7	-179.2	-171.4	0	0	0	0	110.7	S158 C161 L162 L166	S158-S164 WeakPolarHBondContact O-CB 3.49Å; C161-S164 PolarHBondContact O-N 2.89Å; L162-S164 VanDerWaalsContact C-N 3.29Å; L162-S164 PolarHBondContact O-N 3.13Å; S164-L166 VanDerWaalsContact C-N 3.28Å; S164-L166 PolarHBondContact O-N 3.03Å
165	G	89.9	Confident	95.5	Very high	80 Å²	80	56.6 Å²	56.6	83%	0.825	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	3.5	179.9	0	0	0	0	0	115.6
166	L	94.6	Very high	95.4	Very high	62 Å²	62	56.9 Å²	56.9	33%	0.325	31%	0.309	S	S	.	.			trans	-77.5	147.1	172.1	-64.9	-174.4	0	0	0	111.1	L163 S164 D170 L171 L174	L163-L166 HydrophobicContact CD2-CD1 4.33Å; S164-L166 VanDerWaalsContact C-N 3.28Å; S164-L166 PolarHBondContact O-N 3.03Å; L166-D170 HydrophobicContact CB-CB 4.34Å; L166-L171 HydrophobicContact CB-CD2 4.1Å; L166-L171 HydrophobicContact CB-CG 4.17Å; L166-L171 HydrophobicContact CD1-CD2 4.25Å; L166-L174 HydrophobicContact CD1-CD1 3.58Å
167	T	96.6	Very high	95.4	Very high	73 Å²	73	56.9 Å²	56.9	45%	0.448	31%	0.309	S	S	.	.			trans	-76.6	161.4	175.2	71.7	0	0	0	0	110.8	R169 D170 L171	T167-R169 PolarHBondContact O-N 2.81Å; T167-R169 VanDerWaalsContact O-N 3.16Å; T167-D170 WeakPolarHBondContact CB-OD2 3.43Å; T167-D170 PolarHBondContact N-OD2 3.38Å; T167-D170 PolarHBondContact O-N 3.38Å; T167-D170 VanDerWaalsContact O-N 3.11Å; T167-D170 PolarHBondContact OG1-N 2.87Å; T167-D170 PolarHBondContact OG1-OD1 3.29Å; T167-D170 PolarHBondContact OG1-OD2 3.27Å; T167-L171 WeakPolarHBondContact O-CG 3.33Å; T167-L171 PolarHBondContact O-N 3.13Å
168	D	95.3	Very high	95.4	Very high	105 Å²	105	55.1 Å²	55.1	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-56	-33	176.8	-72.5	-13.3	0	0	0	113	C172 P178	D168-C172 PolarHBondContact O-N 3.2Å; D168-C172 VanDerWaalsContact O-N 3.16Å; D168-C172 PolarHBondContact O-SG 3.22Å; D168-P178 HydrophobicContact CB-CB 4.15Å; D168-P178 HydrophobicContact CB-CG 4.2Å
169	R	96.1	Very high	95.4	Very high	179 Å²	179	57.1 Å²	57.1	68%	0.675	32%	0.317	S	S	*	.	H	α-helix	trans	-67.1	-48.8	176.2	-173.6	-179	66	-159.4	-4.1	111.5	T167 L171 C172 E173	T167-R169 PolarHBondContact O-N 2.81Å; T167-R169 VanDerWaalsContact O-N 3.16Å; R169-L171 VanDerWaalsContact C-N 3.27Å; R169-L171 PolarHBondContact O-N 2.83Å; R169-C172 WeakPolarHBondContact O-CB 3.32Å; R169-C172 PolarHBondContact O-N 2.66Å; R169-E173 PolarHBondContact O-N 3.09Å
170	D	96.8	Very high	95.5	Very high	44 Å²	44	54.1 Å²	54.1	24%	0.235	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-34.3	-179	-46.8	-38.1	0	0	0	110.9	L166 T167 C172 E173 L174	L166-D170 HydrophobicContact CB-CB 4.34Å; T167-D170 WeakPolarHBondContact CB-OD2 3.43Å; T167-D170 PolarHBondContact N-OD2 3.38Å; T167-D170 PolarHBondContact O-N 3.38Å; T167-D170 VanDerWaalsContact O-N 3.11Å; T167-D170 PolarHBondContact OG1-N 2.87Å; T167-D170 PolarHBondContact OG1-OD1 3.29Å; T167-D170 PolarHBondContact OG1-OD2 3.27Å; D170-C172 VanDerWaalsContact C-N 3.33Å; D170-C172 PolarHBondContact O-N 2.89Å; D170-E173 PolarHBondContact O-N 3.32Å; D170-L174 WeakPolarHBondContact O-CG 3.27Å; D170-L174 PolarHBondContact O-N 3.36Å; D170-L174 VanDerWaalsContact O-N 3.1Å
171	L	96.1	Very high	95.4	Very high	4 Å²	4	52 Å²	52	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-42.2	171.3	-70.6	175.1	0	0	0	111.9	L163 L166 T167 R169 L174 N175 E176	L163-L171 HydrophobicContact CB-CD2 4.2Å; L163-L171 HydrophobicContact CD2-CD2 3.93Å; L163-L171 HydrophobicContact CG-CD2 4.5Å; L166-L171 HydrophobicContact CB-CD2 4.1Å; L166-L171 HydrophobicContact CB-CG 4.17Å; L166-L171 HydrophobicContact CD1-CD2 4.25Å; T167-L171 WeakPolarHBondContact O-CG 3.33Å; T167-L171 PolarHBondContact O-N 3.13Å; R169-L171 VanDerWaalsContact C-N 3.27Å; R169-L171 PolarHBondContact O-N 2.83Å; L171-L174 PolarHBondContact O-N 3.04Å; L171-N175 PolarHBondContact O-N 3.27Å; L171-E176 CarbonylContact C-O 3.44Å; L171-E176 HydrophobicContact CD2-CB 4.46Å; L171-E176 WeakPolarHBondContact O-CA 3.38Å; L171-E176 PolarHBondContact O-N 3.49Å
172	C	95.9	Very high	95.4	Very high	68 Å²	68	51.9 Å²	51.9	46%	0.459	29%	0.292	S	S	.	.	H	α-helix	trans	-66.2	-38.6	176.9	-66.9	0	0	0	0	112	D168 R169 D170 L174 N175 P178	D168-C172 PolarHBondContact O-N 3.2Å; D168-C172 VanDerWaalsContact O-N 3.16Å; D168-C172 PolarHBondContact O-SG 3.22Å; R169-C172 WeakPolarHBondContact O-CB 3.32Å; R169-C172 PolarHBondContact O-N 2.66Å; D170-C172 VanDerWaalsContact C-N 3.33Å; D170-C172 PolarHBondContact O-N 2.89Å; C172-L174 VanDerWaalsContact C-N 3.26Å; C172-L174 PolarHBondContact O-N 3.37Å; C172-N175 WeakPolarHBondContact O-CA 3.46Å; C172-N175 PolarHBondContact O-N 3.38Å; C172-P178 VanDerWaalsContact SG-CG 3.55Å
173	E	96.3	Very high	95.5	Very high	136 Å²	136	50.4 Å²	50.4	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-61.3	-36	175.2	-70.4	-179.9	-172.6	0	0	112	R169 D170 N175	R169-E173 PolarHBondContact O-N 3.09Å; D170-E173 PolarHBondContact O-N 3.32Å; E173-N175 PolarHBondContact O-N 3.46Å
174	L	95.1	Very high	95.6	Very high	57 Å²	57	50 Å²	50	30%	0.298	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	6.3	173.8	-65.2	176.4	0	0	0	113.8	M109 L163 L166 D170 L171 C172 E176	M109-L174 HydrophobicContact CE-CD2 3.98Å; M109-L174 HydrophobicContact SD-CD1 4.39Å; M109-L174 HydrophobicContact SD-CD2 4.01Å; L163-L174 HydrophobicContact CD2-CD1 4.25Å; L166-L174 HydrophobicContact CD1-CD1 3.58Å; D170-L174 WeakPolarHBondContact O-CG 3.27Å; D170-L174 PolarHBondContact O-N 3.36Å; D170-L174 VanDerWaalsContact O-N 3.1Å; L171-L174 PolarHBondContact O-N 3.04Å; C172-L174 VanDerWaalsContact C-N 3.26Å; C172-L174 PolarHBondContact O-N 3.37Å; L174-E176 PolarHBondContact O-N 2.93Å
175	N	96.5	Very high	95.8	Very high	79 Å²	79	47.3 Å²	47.3	42%	0.422	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	31	-173.5	-60	-79.2	0	0	0	113.4	L171 C172 E173 N739 V742	L171-N175 PolarHBondContact O-N 3.27Å; C172-N175 WeakPolarHBondContact O-CA 3.46Å; C172-N175 PolarHBondContact O-N 3.38Å; E173-N175 PolarHBondContact O-N 3.46Å; N175-N739 PolarHBondContact O-ND2 3.29Å; N175-V742 HydrophobicContact CB-CG2 4.24Å
176	E	96.8	Very high	96.2	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.028	22%	0.224	C	C	.	.			trans	-99.8	155.8	171.2	-69.5	-63.8	165.9	0	0	110.9	N111 R114 L163 L171 L174	N111-E176 WeakPolarHBondContact CB-OE1 3.4Å; N111-E176 PolarHBondContact N-OE1 3.07Å; R114-E176 IonicContact CZ-OE1 3.15Å; R114-E176 IonicContact CZ-OE2 3.72Å; R114-E176 IonicContact NH1-OE1 2.82Å; R114-E176 PolarHBondContact NH1-OE1 3.46Å; R114-E176 IonicContact NH1-OE2 3.98Å; R114-E176 PolarHBondContact NH1-OE2 3.21Å; R114-E176 VanDerWaalsContact NH1-OE2 3.11Å; R114-E176 IonicContact NH2-OE1 3.84Å; R114-E176 PolarHBondContact NH2-OE1 3.47Å; R114-E176 VanDerWaalsContact NH2-OE1 3.12Å; R114-E176 IonicContact NH2-OE2 3.87Å; R114-E176 PolarHBondContact NH2-OE2 3.26Å; L163-E176 HydrophobicContact CD1-CG 4.23Å; L163-E176 HydrophobicContact CD2-CG 4.15Å; L171-E176 CarbonylContact C-O 3.44Å; L171-E176 HydrophobicContact CD2-CB 4.46Å; L171-E176 WeakPolarHBondContact O-CA 3.38Å; L171-E176 PolarHBondContact O-N 3.49Å; L174-E176 PolarHBondContact O-N 2.93Å
177	C	96.3	Very high	96.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	21%	0.208	C	C	.	.			trans	-90.1	127.1	179.4	172.6	0	0	0	0	110.1	R157 L179 D180 I737 T738	R157-C177 PolarHBondContact NH2-O 2.98Å; C177-L179 PolarHBondContact O-N 3.47Å; C177-L179 PolarHBondContact SG-N 2.92Å; C177-L179 VanDerWaalsContact SG-N 3.39Å; C177-D180 HydrophobicContact CB-CB 4.18Å; C177-D180 PolarHBondContact O-N 3.49Å; C177-D180 VanDerWaalsContact O-N 3.16Å; C177-I737 HydrophobicContact CB-CD1 3.72Å; C177-I737 HydrophobicContact CB-CG1 3.41Å; C177-I737 VanDerWaalsContact CB-CG1 3.41Å; C177-I737 WeakPolarHBondContact SG-CG1 3.46Å; C177-T738 WeakPolarHBondContact CB-OG1 3.24Å; C177-T738 PolarHBondContact SG-OG1 3.39Å
178	P	96.4	Very high	96.3	Very high	28 Å²	28	39.9 Å²	39.9	18%	0.182	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.9	174.7	-28.8	37.2	0	0	0	113.4	R157 D168 C172 D180	R157-P178 PolarHBondContact NH1-O 2.95Å; R157-P178 VanDerWaalsContact NH1-O 3.08Å; R157-P178 VanDerWaalsContact NH2-C 3.31Å; R157-P178 PolarHBondContact NH2-O 2.94Å; D168-P178 HydrophobicContact CB-CB 4.15Å; D168-P178 HydrophobicContact CB-CG 4.2Å; C172-P178 VanDerWaalsContact SG-CG 3.55Å; P178-D180 VanDerWaalsContact C-N 3.33Å; P178-D180 PolarHBondContact O-N 3.11Å
179	L	96	Very high	96.2	Very high	43 Å²	43	35.6 Å²	35.6	23%	0.225	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.9	-177.8	-51.6	177.3	0	0	0	114.2	C177 P181 F475 E771 L772	C177-L179 PolarHBondContact O-N 3.47Å; C177-L179 PolarHBondContact SG-N 2.92Å; C177-L179 VanDerWaalsContact SG-N 3.39Å; L179-P181 WeakPolarHBondContact O-CD 3.46Å; L179-F475 HydrophobicContact CB-CE2 4.37Å; L179-F475 HydrophobicContact CB-CZ 4.45Å; L179-F475 VanDerWaalsContact O-CE2 3.22Å; L179-F475 WeakPolarHBondContact O-CE2 3.29Å; L179-F475 WeakPolarHBondContact O-CZ 3.39Å; L179-E771 HydrophobicContact CD1-CB 4.16Å; L179-E771 WeakPolarHBondContact CD1-OE2 3.41Å; L179-E771 WeakPolarHBondContact CD2-OE2 3.49Å; L179-L772 HydrophobicContact CD1-CD1 3.86Å; L179-L772 HydrophobicContact CD1-CG 4.01Å
180	D	96.3	Very high	96.1	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.027	16%	0.164	C	C	.	.			trans	-68.3	119.3	-179.1	-168.2	27.4	0	0	0	109.7	R157 C177 P178 G182 Y184 R472 I737	R157-D180 PolarHBondContact NE-O 3.22Å; R157-D180 VanDerWaalsContact NE-O 3.08Å; R157-D180 PolarHBondContact NH1-O 2.78Å; R157-D180 PolarHBondContact NH2-O 3.1Å; C177-D180 HydrophobicContact CB-CB 4.18Å; C177-D180 PolarHBondContact O-N 3.49Å; C177-D180 VanDerWaalsContact O-N 3.16Å; P178-D180 VanDerWaalsContact C-N 3.33Å; P178-D180 PolarHBondContact O-N 3.11Å; D180-G182 PolarHBondContact O-N 3.4Å; D180-G182 VanDerWaalsContact O-N 3.14Å; D180-Y184 PolarHBondContact OD2-OH 3.11Å; D180-R472 IonicContact OD1-CZ 3.82Å; D180-R472 VanDerWaalsContact OD1-CZ 3.31Å; D180-R472 IonicContact OD1-NH1 3.33Å; D180-R472 PolarHBondContact OD1-NH1 2.82Å; D180-R472 IonicContact OD1-NH2 3.46Å; D180-R472 PolarHBondContact OD1-NH2 2.84Å; D180-R472 IonicContact OD2-NH2 3.11Å; D180-R472 PolarHBondContact OD2-NH2 2.81Å; D180-I737 HydrophobicContact CB-CD1 3.96Å
181	P	94.3	Very high	96.1	Very high	21 Å²	21	27.4 Å²	27.4	14%	0.136	16%	0.155	C	C	.	.			trans	-67.6	-18.7	-171.4	26.3	-38.2	0	0	0	114.1	V40 L179 T478 L479 L482	V40-P181 HydrophobicContact CG1-CB 3.92Å; V40-P181 HydrophobicContact CG2-CB 3.83Å; V40-P181 WeakPolarHBondContact CG2-O 3.17Å; L179-P181 WeakPolarHBondContact O-CD 3.46Å; P181-T478 HydrophobicContact CG-CG2 4.47Å; P181-L479 HydrophobicContact CB-CD2 4.07Å; P181-L479 HydrophobicContact CG-CD2 3.91Å; P181-L482 HydrophobicContact CB-CD1 4.41Å; P181-L482 HydrophobicContact CG-CD1 3.69Å
182	G	95.5	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.			trans	69.4	-154	-167.9	0	0	0	0	0	111.8	D180 Y184	D180-G182 PolarHBondContact O-N 3.4Å; D180-G182 VanDerWaalsContact O-N 3.14Å; G182-Y184 WeakPolarHBondContact O-CD1 3.36Å
183	G	95.7	Very high	96.3	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	14%	0.137	C	C	.	.			trans	81.6	20.4	177.9	0	0	0	0	0	114.9	M155 L156 L482	M155-G183 VanDerWaalsContact SD-CA 3.56Å; L156-G183 PolarHBondContact O-N 2.85Å; G183-L482 WeakPolarHBondContact O-CD2 3.23Å
184	Y	97.9	Very high	96.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.			trans	-142.2	167.4	179.4	69.1	-89.8	0	0	0	111.3	R114 L156 D180 G182 I186 E191 K192 L470 R472	R114-Y184 PolarHBondContact NH2-OH 3.22Å; L156-Y184 HydrophobicContact CD1-CD2 4.5Å; L156-Y184 HydrophobicContact CD1-CE2 4.27Å; L156-Y184 WeakPolarHBondContact CD1-O 3.45Å; L156-Y184 HydrophobicContact CD2-CE1 4.3Å; L156-Y184 HydrophobicContact CD2-CE2 4Å; L156-Y184 PolarHBondContact N-O 3.06Å; D180-Y184 PolarHBondContact OD2-OH 3.11Å; G182-Y184 WeakPolarHBondContact O-CD1 3.36Å; Y184-I186 HydrophobicContact CE2-CG1 4.14Å; Y184-E191 HydrophobicContact CD2-CB 3.84Å; Y184-E191 HydrophobicContact CD2-CG 4.16Å; Y184-E191 HydrophobicContact CE2-CB 3.81Å; Y184-E191 VanDerWaalsContact CE2-CD 3.48Å; Y184-E191 HydrophobicContact CE2-CG 3.59Å; Y184-E191 WeakPolarHBondContact CE2-OE1 3.46Å; Y184-E191 PolarHBondContact OH-OE1 3.24Å; Y184-K192 WeakPolarHBondContact CB-O 3.35Å; Y184-L470 HydrophobicContact CD1-CD2 3.76Å; Y184-L470 HydrophobicContact CD2-CD2 4.15Å; Y184-L470 HydrophobicContact CE1-CD2 4.12Å; Y184-L470 HydrophobicContact CE2-CD2 4.44Å; Y184-L470 HydrophobicContact CG-CD2 3.79Å; Y184-R472 PolarHBondContact OH-NH2 2.8Å
185	F	98.3	Very high	96.3	Very high	1 Å²	1	16 Å²	16	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.9	-178	-60.1	-85.6	0	0	0	111.9	F47 P153 M155 I187 E191 K192 L194 L400	F47-F185 HydrophobicContact CD2-CE1 4.07Å; F47-F185 AromaticContact CD2-CZ 3.79Å; F47-F185 HydrophobicContact CD2-CZ 3.79Å; F47-F185 AromaticContact CE2-CE1 3.64Å; F47-F185 HydrophobicContact CE2-CE1 3.64Å; F47-F185 AromaticContact CE2-CZ 3.81Å; F47-F185 HydrophobicContact CE2-CZ 3.81Å; F47-F185 HydrophobicContact CZ-CE1 4.17Å; P153-F185 HydrophobicContact CB-CD1 4.1Å; P153-F185 WeakPolarHBondContact O-CE1 3.44Å; M155-F185 HydrophobicContact CB-CD1 4.32Å; M155-F185 HydrophobicContact CB-CE1 3.8Å; M155-F185 HydrophobicContact CB-CZ 4.01Å; M155-F185 HydrophobicContact CE-CE1 4.46Å; M155-F185 HydrophobicContact CE-CE2 3.58Å; M155-F185 HydrophobicContact CE-CZ 3.52Å; M155-F185 HydrophobicContact CG-CZ 4.46Å; F185-I187 HydrophobicContact CB-CD1 4.22Å; F185-I187 HydrophobicContact CB-CG1 4.24Å; F185-E191 CarbonylContact O-C 3.54Å; F185-E191 WeakPolarHBondContact O-CA 3.43Å; F185-K192 HydrophobicContact CB-CB 4.46Å; F185-K192 PolarHBondContact N-O 3.39Å; F185-K192 PolarHBondContact O-N 3.03Å; F185-L194 HydrophobicContact CD2-CG 4.45Å; F185-L194 HydrophobicContact CE2-CD1 3.85Å; F185-L194 HydrophobicContact CE2-CG 4.02Å; F185-L400 HydrophobicContact CZ-CD1 3.94Å
186	I	97.9	Very high	96.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110	168.7	-62	166.6	0	0	0	108.8	P110 A113 R114 T119 Y120 L156 Y184 S190	P110-I186 HydrophobicContact CB-CD1 3.95Å; A113-I186 HydrophobicContact CB-CG2 4.15Å; R114-I186 HydrophobicContact CG-CD1 3.68Å; R114-I186 HydrophobicContact CG-CG1 4.27Å; R114-I186 HydrophobicContact CG-CG2 4.27Å; T119-I186 WeakPolarHBondContact CA-O 3.24Å; Y120-I186 PolarHBondContact N-O 3.32Å; L156-I186 HydrophobicContact CD1-CD1 3.7Å; L156-I186 HydrophobicContact CD1-CG1 3.72Å; L156-I186 HydrophobicContact CD2-CD1 3.86Å; L156-I186 HydrophobicContact CD2-CG1 4.49Å; L156-I186 HydrophobicContact CG-CD1 4.35Å; Y184-I186 HydrophobicContact CE2-CG1 4.14Å; I186-S190 WeakPolarHBondContact CA-O 3.33Å
187	I	96.9	Very high	96.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.9	179.5	-49.2	-62	0	0	0	109.1	T119 P153 F185 G189 S190 K192 K445 L448 A449	T119-I187 HydrophobicContact CG2-CD1 3.73Å; T119-I187 HydrophobicContact CG2-CG2 4.48Å; P153-I187 HydrophobicContact CB-CD1 3.74Å; P153-I187 HydrophobicContact CG-CD1 4.03Å; F185-I187 HydrophobicContact CB-CD1 4.22Å; F185-I187 HydrophobicContact CB-CG1 4.24Å; I187-G189 PolarHBondContact O-N 3.31Å; I187-S190 PolarHBondContact N-O 3.16Å; I187-S190 PolarHBondContact O-N 2.98Å; I187-S190 PolarHBondContact O-OG 2.99Å; I187-K192 HydrophobicContact CB-CG 4.25Å; I187-K192 HydrophobicContact CG1-CB 4.47Å; I187-K192 HydrophobicContact CG1-CG 4.12Å; I187-K445 HydrophobicContact CG2-CG 3.97Å; I187-L448 HydrophobicContact CD1-CB 4.36Å; I187-L448 HydrophobicContact CD1-CD1 4.01Å; I187-L448 HydrophobicContact CG1-CB 4.08Å; I187-A449 HydrophobicContact CG2-CB 3.99Å
188	N	95.1	Very high	96	Very high	59 Å²	59	13 Å²	13	32%	0.316	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.9	-175.8	-60.5	-32.3	0	0	0	113.1	N117 L118 T119 S190 K445	N117-N188 CarbonylContact O-C 3.41Å; N117-N188 WeakPolarHBondContact O-CA 3.47Å; L118-N188 PolarHBondContact O-N 2.93Å; T119-N188 PolarHBondContact OG1-N 3.12Å; T119-N188 PolarHBondContact OG1-OD1 3.35Å; N188-S190 PolarHBondContact O-N 2.69Å; N188-K445 WeakPolarHBondContact OD1-CE 3.37Å; N188-K445 PolarHBondContact OD1-NZ 3.11Å
189	G	93.4	Very high	95.7	Very high	16 Å²	16	15.1 Å²	15.1	17%	0.165	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	-2	-174	0	0	0	0	0	116.5	L118 I187	L118-G189 PolarHBondContact O-N 3.39Å; I187-G189 PolarHBondContact O-N 3.31Å
190	S	95.3	Very high	95.5	Very high	38 Å²	38	14.8 Å²	14.8	27%	0.266	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.5	176.6	68.2	0	0	0	0	111.3	I186 I187 N188 K192	I186-S190 WeakPolarHBondContact CA-O 3.33Å; I187-S190 PolarHBondContact N-O 3.16Å; I187-S190 PolarHBondContact O-N 2.98Å; I187-S190 PolarHBondContact O-OG 2.99Å; N188-S190 PolarHBondContact O-N 2.69Å; S190-K192 WeakPolarHBondContact OG-CE 3.17Å
191	E	97.1	Very high	95.4	Very high	13 Å²	13	14.6 Å²	14.6	6%	0.061	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.6	177.2	-57	-173.2	151.2	0	0	110.1	R114 Y184 F185 V469 L470 R472 R743	R114-E191 IonicContact NE-OE1 2.78Å; R114-E191 PolarHBondContact NE-OE1 3.27Å; Y184-E191 HydrophobicContact CD2-CB 3.84Å; Y184-E191 HydrophobicContact CD2-CG 4.16Å; Y184-E191 HydrophobicContact CE2-CB 3.81Å; Y184-E191 VanDerWaalsContact CE2-CD 3.48Å; Y184-E191 HydrophobicContact CE2-CG 3.59Å; Y184-E191 WeakPolarHBondContact CE2-OE1 3.46Å; Y184-E191 PolarHBondContact OH-OE1 3.24Å; F185-E191 CarbonylContact O-C 3.54Å; F185-E191 WeakPolarHBondContact O-CA 3.43Å; E191-V469 WeakPolarHBondContact O-CA 3.31Å; E191-L470 HydrophobicContact CB-CB 3.95Å; E191-L470 HydrophobicContact CB-CD2 4.39Å; E191-L470 PolarHBondContact O-N 3.1Å; E191-R472 IonicContact OE1-NH2 2.85Å; E191-R472 WeakPolarHBondContact OE2-CG 3.4Å; E191-R472 IonicContact OE2-CZ 2.97Å; E191-R472 IonicContact OE2-NE 3.77Å; E191-R472 PolarHBondContact OE2-NE 3.32Å; E191-R472 IonicContact OE2-NH2 2.81Å; E191-R743 VanDerWaalsContact CD-NH2 3.28Å; E191-R743 IonicContact OE1-CZ 3.35Å; E191-R743 IonicContact OE1-NH1 3.63Å; E191-R743 PolarHBondContact OE1-NH1 3.19Å; E191-R743 VanDerWaalsContact OE1-NH1 3.14Å; E191-R743 IonicContact OE1-NH2 3.74Å; E191-R743 PolarHBondContact OE1-NH2 3.3Å; E191-R743 IonicContact OE2-NH2 2.94Å
192	K	97.1	Very high	95.3	Very high	23 Å²	23	14.7 Å²	14.7	10%	0.1	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.6	-174.3	-63.6	-69.1	176.5	164.7	0	110.3	Y184 F185 I187 S190 A449 Q468 V469	Y184-K192 WeakPolarHBondContact CB-O 3.35Å; F185-K192 HydrophobicContact CB-CB 4.46Å; F185-K192 PolarHBondContact N-O 3.39Å; F185-K192 PolarHBondContact O-N 3.03Å; I187-K192 HydrophobicContact CB-CG 4.25Å; I187-K192 HydrophobicContact CG1-CB 4.47Å; I187-K192 HydrophobicContact CG1-CG 4.12Å; S190-K192 WeakPolarHBondContact OG-CE 3.17Å; K192-A449 PolarHBondContact NZ-O 2.86Å; K192-Q468 CarbonylContact C-O 3.57Å; K192-Q468 WeakPolarHBondContact CA-O 3.21Å; K192-V469 HydrophobicContact CD-CG2 4.23Å
193	V	97.3	Very high	95.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.7	176.9	56.8	0	0	0	0	109.9	I195 S467 Q468 L470 L482	V193-I195 HydrophobicContact CG1-CD1 4.14Å; V193-I195 HydrophobicContact CG2-CD1 4.36Å; V193-S467 WeakPolarHBondContact O-CA 3.46Å; V193-Q468 HydrophobicContact CG1-CB 4.41Å; V193-Q468 PolarHBondContact N-O 3.48Å; V193-Q468 PolarHBondContact O-N 2.86Å; V193-L470 HydrophobicContact CB-CD1 4.26Å; V193-L470 HydrophobicContact CG1-CB 4.46Å; V193-L470 HydrophobicContact CG1-CD1 4.15Å; V193-L482 HydrophobicContact CB-CD2 4.34Å; V193-L482 HydrophobicContact CG2-CD2 3.67Å
194	L	96.2	Very high	95.1	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.1	171.9	-61	-174.7	0	0	0	110	Q43 F185 A396 L400 L448 W453	Q43-L194 PolarHBondContact NE2-O 3.41Å; F185-L194 HydrophobicContact CD2-CG 4.45Å; F185-L194 HydrophobicContact CE2-CD1 3.85Å; F185-L194 HydrophobicContact CE2-CG 4.02Å; L194-A396 HydrophobicContact CD1-CB 3.99Å; L194-L400 HydrophobicContact CD1-CD1 4.5Å; L194-L400 HydrophobicContact CD1-CG 4.27Å; L194-L448 HydrophobicContact CD1-CD2 4.14Å; L194-L448 HydrophobicContact CD2-CD2 3.69Å; L194-L448 HydrophobicContact CG-CD2 4.27Å; L194-W453 HydrophobicContact CD1-CH2 3.78Å; L194-W453 HydrophobicContact CD1-CZ2 4.19Å; L194-W453 HydrophobicContact CD2-CH2 3.34Å; L194-W453 HydrophobicContact CD2-CZ2 4.35Å; L194-W453 HydrophobicContact CD2-CZ3 3.65Å; L194-W453 HydrophobicContact CG-CH2 4.22Å
195	I	95.9	Very high	95	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-88.6	129.5	178.4	-50.9	-55.3	0	0	0	108.5	V193 Q197 V466 Q468 R484 N486	V193-I195 HydrophobicContact CG1-CD1 4.14Å; V193-I195 HydrophobicContact CG2-CD1 4.36Å; I195-Q197 PolarHBondContact O-N 2.68Å; I195-Q197 PolarHBondContact O-NE2 3.23Å; I195-V466 PolarHBondContact N-O 3.23Å; I195-Q468 HydrophobicContact CG1-CG 4.06Å; I195-R484 HydrophobicContact CD1-CB 4.3Å; I195-R484 HydrophobicContact CG2-CB 4.26Å; I195-R484 HydrophobicContact CG2-CG 4.02Å; I195-R484 WeakPolarHBondContact CG2-O 3.4Å; I195-N486 HydrophobicContact CG2-CB 3.76Å
196	A	95.9	Very high	94.9	Very high	3 Å²	3	16.1 Å²	16.1	3%	0.025	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	132.5	176.7	0	0	0	0	0	110.4	D394 L395 R484 V485 N486	A196-D394 WeakPolarHBondContact CA-O 3.23Å; A196-L395 HydrophobicContact CB-CD2 3.63Å; A196-R484 PolarHBondContact N-O 3.28Å; A196-V485 HydrophobicContact CB-CG2 4.12Å; A196-N486 PolarHBondContact O-N 3.49Å
197	Q	94	Very high	94.8	Very high	5 Å²	5	16.2 Å²	16.2	2%	0.023	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.9	-179.7	-58.6	-58.9	-54.5	0	0	110.6	I195 D394 L399 V466 N486	I195-Q197 PolarHBondContact O-N 2.68Å; I195-Q197 PolarHBondContact O-NE2 3.23Å; Q197-D394 HydrophobicContact CB-CB 4.33Å; Q197-D394 PolarHBondContact N-O 2.81Å; Q197-D394 PolarHBondContact O-N 2.89Å; Q197-L399 HydrophobicContact CG-CD1 4.37Å; Q197-L399 HydrophobicContact CG-CD2 4.3Å; Q197-V466 HydrophobicContact CG-CG1 4.4Å; Q197-V466 HydrophobicContact CG-CG2 4.38Å; Q197-N486 PolarHBondContact OE1-ND2 2.78Å
198	E	93.4	Very high	94.7	Very high	13 Å²	13	16.9 Å²	16.9	6%	0.061	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.8	174.5	-176	-175.4	145.5	0	0	110.1	Y388 K391 L393 V485 N486 S487 P488 K524	E198-Y388 HydrophobicContact CG-CE2 4.34Å; E198-K391 HydrophobicContact CG-CB 4.35Å; E198-K391 HydrophobicContact CG-CD 3.86Å; E198-K391 WeakPolarHBondContact OE1-CD 3.41Å; E198-K391 WeakPolarHBondContact OE1-CE 3.19Å; E198-K391 IonicContact OE1-NZ 3.41Å; E198-K391 PolarHBondContact OE1-NZ 3.09Å; E198-L393 HydrophobicContact CB-CD2 4.12Å; E198-V485 HydrophobicContact CB-CG1 4.4Å; E198-N486 PolarHBondContact N-O 3.06Å; E198-S487 PolarHBondContact OE2-OG 3.1Å; E198-P488 WeakPolarHBondContact O-CD 3.44Å; E198-P488 WeakPolarHBondContact O-CG 3.44Å; E198-K524 IonicContact OE1-NZ 3.81Å; E198-K524 IonicContact OE2-NZ 2.68Å; E198-K524 PolarHBondContact OE2-NZ 3.33Å
199	K	90.8	Very high	94.6	Very high	74 Å²	74	16.4 Å²	16.4	32%	0.322	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	162.2	170.6	66.7	173.1	-177.5	-157.3	0	110.3	K391 R392 D394	K199-K391 CarbonylContact O-C 3.19Å; K199-K391 VanDerWaalsContact O-CA 3.24Å; K199-K391 WeakPolarHBondContact O-CA 3.24Å; K199-K391 WeakPolarHBondContact O-CB 3.46Å; K199-R392 HydrophobicContact CG-CB 4.18Å; K199-R392 PolarHBondContact N-O 2.98Å; K199-R392 PolarHBondContact O-N 3.17Å; K199-D394 WeakPolarHBondContact CD-OD2 3.35Å; K199-D394 WeakPolarHBondContact CE-OD1 3.41Å; K199-D394 IonicContact NZ-OD1 2.96Å; K199-D394 PolarHBondContact NZ-OD1 3.43Å; K199-D394 IonicContact NZ-OD2 2.82Å
200	M	91.9	Very high	94.3	Very high	35 Å²	35	19.1 Å²	19.1	17%	0.172	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	141.9	166.9	-164.3	66.3	70.3	0	0	109	Y206 N390	M200-Y206 HydrophobicContact CG-CD2 4.27Å; M200-Y206 HydrophobicContact CG-CE2 3.58Å; M200-Y206 HydrophobicContact SD-CE2 4.02Å; M200-N390 HydrophobicContact SD-CB 4.24Å
201	A	93.3	Very high	93.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-61.4	149.7	174.2	0	0	0	0	0	110.5	Y206 N390 R392	A201-Y206 WeakPolarHBondContact CB-OH 3.39Å; A201-N390 WeakPolarHBondContact CB-O 3.26Å; A201-N390 PolarHBondContact N-O 3.49Å; A201-R392 HydrophobicContact CB-CG 3.83Å
202	T	92.8	Very high	92.4	Very high	24 Å²	24	33.2 Å²	33.2	15%	0.147	17%	0.168	C	C	.	.	S	Bend	trans	-97.5	162.9	178.7	45.5	0	0	0	0	110	T204 R222 C224 T232	T202-T204 PolarHBondContact O-N 3.2Å; T202-T204 VanDerWaalsContact O-N 3.09Å; T202-T204 PolarHBondContact O-OG1 3.26Å; T202-R222 CarbonylContact C-O 3.36Å; T202-R222 WeakPolarHBondContact CA-O 3.4Å; T202-R222 WeakPolarHBondContact CB-O 3.39Å; T202-C224 HydrophobicContact CG2-CB 3.91Å; T202-T232 HydrophobicContact CG2-CG2 4.16Å
203	N	94.1	Very high	91.7	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.027	18%	0.181	C	C	.	.	S	Bend	trans	62.4	11.8	177.4	-54.7	-21.7	0	0	0	115	R222 S223 C224 H350 N570 G571	N203-R222 PolarHBondContact N-O 2.93Å; N203-S223 VanDerWaalsContact OD1-CA 3.28Å; N203-S223 WeakPolarHBondContact OD1-CA 3.13Å; N203-C224 PolarHBondContact ND2-O 3.13Å; N203-C224 PolarHBondContact OD1-N 3.25Å; N203-C224 PolarHBondContact OD1-O 3Å; N203-C224 VanDerWaalsContact OD1-O 3.11Å; N203-H350 VanDerWaalsContact OD1-CB 3.32Å; N203-H350 WeakPolarHBondContact OD1-CB 3.49Å; N203-N570 WeakPolarHBondContact CB-O 3.4Å; N203-G571 VanDerWaalsContact O-CA 3.3Å; N203-G571 WeakPolarHBondContact O-CA 3.31Å
204	T	93.6	Very high	91.2	Very high	17 Å²	17	39.9 Å²	39.9	10%	0.104	20%	0.204	C	C	.	.			trans	-106	140.7	173.1	-42.5	0	0	0	0	110.2	T202 Y206	T202-T204 PolarHBondContact O-N 3.2Å; T202-T204 VanDerWaalsContact O-N 3.09Å; T202-T204 PolarHBondContact O-OG1 3.26Å; T204-Y206 HydrophobicContact CG2-CD1 4.47Å; T204-Y206 HydrophobicContact CG2-CE1 3.79Å
205	V	95.2	Very high	90.8	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.9	170.8	-179.6	0	0	0	0	108.3	C221 F364 Y367 M368 R371	V205-C221 HydrophobicContact CG2-CB 4.27Å; V205-F364 HydrophobicContact CG2-CE1 4.04Å; V205-F364 HydrophobicContact CG2-CZ 3.86Å; V205-Y367 HydrophobicContact CG2-CD1 4.47Å; V205-Y367 HydrophobicContact CG2-CE1 4.34Å; V205-M368 HydrophobicContact CG1-CB 4.5Å; V205-M368 HydrophobicContact CG1-CG 3.81Å; V205-M368 HydrophobicContact CG2-CB 4.33Å; V205-M368 HydrophobicContact CG2-CG 4.18Å; V205-R371 VanDerWaalsContact C-NH1 3.32Å; V205-R371 PolarHBondContact O-NH1 3.47Å
206	Y	96	Very high	90.5	Very high	3 Å²	3	42 Å²	42	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.7	172.9	-58.8	-64.9	0	0	0	111.6	M200 A201 T204 F208 G219 E220 D383 N390	M200-Y206 HydrophobicContact CG-CD2 4.27Å; M200-Y206 HydrophobicContact CG-CE2 3.58Å; M200-Y206 HydrophobicContact SD-CE2 4.02Å; A201-Y206 WeakPolarHBondContact CB-OH 3.39Å; T204-Y206 HydrophobicContact CG2-CD1 4.47Å; T204-Y206 HydrophobicContact CG2-CE1 3.79Å; Y206-F208 VanDerWaalsContact CB-CZ 3.4Å; Y206-F208 HydrophobicContact CD1-CZ 4.49Å; Y206-F208 HydrophobicContact CG-CE2 4.34Å; Y206-F208 AromaticContact CG-CZ 3.93Å; Y206-F208 HydrophobicContact CG-CZ 3.93Å; Y206-G219 CarbonylContact O-C 3.56Å; Y206-G219 WeakPolarHBondContact O-CA 3.47Å; Y206-E220 PolarHBondContact N-O 2.82Å; Y206-E220 PolarHBondContact O-N 3.09Å; Y206-D383 VanDerWaalsContact CA-OD2 3.22Å; Y206-D383 WeakPolarHBondContact CA-OD2 3.49Å; Y206-D383 HydrophobicContact CD1-CB 4.29Å; Y206-N390 HydrophobicContact CE1-CB 3.72Å; Y206-N390 VanDerWaalsContact CE1-CG 3.49Å; Y206-N390 PolarHBondContact OH-O 3.11Å
207	V	96.3	Very high	90.4	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.4	176.4	-175.4	0	0	0	0	109.9	R371 L372 A375 L382 D383	V207-R371 HydrophobicContact CG2-CG 4.24Å; V207-L372 HydrophobicContact CG1-CD1 3.86Å; V207-A375 HydrophobicContact CB-CB 4.33Å; V207-A375 HydrophobicContact CG1-CB 3.59Å; V207-L382 HydrophobicContact CG1-CD2 4.22Å; V207-D383 PolarHBondContact N-OD2 2.78Å; V207-D383 PolarHBondContact O-N 3.34Å; V207-D383 VanDerWaalsContact O-N 3.13Å
208	F	94.9	Very high	90.4	Very high	13 Å²	13	44.7 Å²	44.7	6%	0.057	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.1	179.3	-53	-58.5	0	0	0	111.3	Y206 T218 D383 R385	Y206-F208 VanDerWaalsContact CB-CZ 3.4Å; Y206-F208 HydrophobicContact CD1-CZ 4.49Å; Y206-F208 HydrophobicContact CG-CE2 4.34Å; Y206-F208 AromaticContact CG-CZ 3.93Å; Y206-F208 HydrophobicContact CG-CZ 3.93Å; F208-T218 PolarHBondContact N-O 2.94Å; F208-T218 PolarHBondContact O-N 3.04Å; F208-D383 HydrophobicContact CD1-CB 4.45Å; F208-D383 WeakPolarHBondContact CD1-O 3.39Å; F208-D383 HydrophobicContact CE1-CB 3.91Å; F208-D383 WeakPolarHBondContact CE1-O 3.32Å; F208-R385 HydrophobicContact CD1-CG 3.77Å; F208-R385 HydrophobicContact CE1-CB 4.4Å; F208-R385 HydrophobicContact CE1-CG 3.25Å; F208-R385 HydrophobicContact CE2-CG 4.28Å; F208-R385 HydrophobicContact CG-CG 4.47Å; F208-R385 HydrophobicContact CZ-CG 3.54Å
209	A	92.8	Very high	90.5	Very high	50 Å²	50	44 Å²	44	41%	0.413	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.3	162	0	0	0	0	0	110.2	A216 Y217 L382	A209-A216 WeakPolarHBondContact CA-O 3.42Å; A209-Y217 HydrophobicContact CB-CD1 4.13Å; A209-Y217 HydrophobicContact CB-CE1 4.12Å; A209-L382 HydrophobicContact CB-CD1 3.59Å
210	K	87.4	Confident	90.8	Very high	73 Å²	73	41.6 Å²	41.6	32%	0.317	21%	0.214	S	C	.	.			trans	-109.7	120.9	173.9	-73.6	-178	179.8	161.7	0	109.7	A216 T218	K210-A216 PolarHBondContact N-O 3.47Å; K210-A216 VanDerWaalsContact N-O 3.08Å; K210-T218 WeakPolarHBondContact CE-OG1 3.48Å; K210-T218 PolarHBondContact NZ-OG1 3.02Å
211	K	81.4	Confident	90.9	Very high	187 Å²	187	40 Å²	40	81%	0.813	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	137.9	171.1	-163.1	174.3	178.6	178	0	109.4	S213	K211-S213 PolarHBondContact O-N 3.34Å
212	D	70.6	Confident	90.9	Very high	160 Å²	160	43.9 Å²	43.9	86%	0.856	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	42.8	175.5	-52.2	-31.1	0	0	0	114.8
213	S	81.9	Confident	90.8	Very high	53 Å²	53	42.8 Å²	42.8	37%	0.371	21%	0.213	S	C	.	.	S	Bend	trans	-126.7	166.3	176.7	-162.4	0	0	0	0	112.1	K211 Y215	K211-S213 PolarHBondContact O-N 3.34Å; S213-Y215 PolarHBondContact O-N 3.38Å
214	K	86.5	Confident	90.4	Very high	110 Å²	110	44 Å²	44	48%	0.478	22%	0.222	S	C	.	.	S	Bend	trans	-63.1	-17.5	170.5	58	162.9	163.8	162.2	0	113.3	A241 E266	K214-A241 PolarHBondContact O-N 3.38Å; K214-E266 IonicContact NZ-OE1 3.01Å; K214-E266 PolarHBondContact NZ-OE1 2.9Å; K214-E266 IonicContact NZ-OE2 3.75Å; K214-E266 PolarHBondContact NZ-OE2 2.76Å
215	Y	88.9	Confident	89.8	Confident	21 Å²	21	45.9 Å²	45.9	8%	0.082	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.8	-178.6	-48.1	-62.2	0	0	0	110.5	S213 S238 M239 M240 V257 E266	S213-Y215 PolarHBondContact O-N 3.38Å; Y215-S238 VanDerWaalsContact CD1-CB 3.41Å; Y215-M239 CarbonylContact C-O 3.56Å; Y215-M239 VanDerWaalsContact CA-O 3.29Å; Y215-M239 WeakPolarHBondContact CA-O 2.88Å; Y215-M240 HydrophobicContact CD1-CG 4.48Å; Y215-V257 HydrophobicContact CE1-CG2 3.93Å; Y215-E266 WeakPolarHBondContact CE1-OE2 3.45Å; Y215-E266 PolarHBondContact OH-OE2 2.94Å
216	A	89.8	Confident	88.5	Confident	25 Å²	25	48.5 Å²	48.5	21%	0.207	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-52.4	171.8	0	0	0	0	0	110.5	A209 K210 M239 A241	A209-A216 WeakPolarHBondContact CA-O 3.42Å; K210-A216 PolarHBondContact N-O 3.47Å; K210-A216 VanDerWaalsContact N-O 3.08Å; A216-M239 PolarHBondContact N-O 3.3Å; A216-A241 HydrophobicContact CB-CB 4.24Å
217	Y	92.9	Very high	87	Confident	63 Å²	63	53 Å²	53	25%	0.247	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149	179.8	-58.8	-75.5	0	0	0	110.5	A209 S238 M239 A376 L382	A209-Y217 HydrophobicContact CB-CD1 4.13Å; A209-Y217 HydrophobicContact CB-CE1 4.12Å; Y217-S238 WeakPolarHBondContact O-CA 3.42Å; Y217-M239 HydrophobicContact CD2-SD 4.14Å; Y217-M239 PolarHBondContact O-N 2.87Å; Y217-A376 HydrophobicContact CD2-CB 3.92Å; Y217-A376 HydrophobicContact CE2-CB 3.96Å; Y217-L382 HydrophobicContact CD1-CD2 4.02Å; Y217-L382 HydrophobicContact CE1-CD2 4.05Å
218	T	94.9	Very high	85.8	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	119.8	173.1	-57.1	0	0	0	0	109.3	F208 K210 W236 V237	F208-T218 PolarHBondContact N-O 2.94Å; F208-T218 PolarHBondContact O-N 3.04Å; K210-T218 WeakPolarHBondContact CE-OG1 3.48Å; K210-T218 PolarHBondContact NZ-OG1 3.02Å; T218-W236 HydrophobicContact CG2-CB 4.05Å; T218-W236 HydrophobicContact CG2-CG 4.34Å; T218-V237 CarbonylContact C-O 3.56Å; T218-V237 WeakPolarHBondContact CA-O 3.48Å
219	G	95.5	Very high	84.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.3	159.8	0	0	0	0	0	109.5	Y206 W236 V237 M368	Y206-G219 CarbonylContact O-C 3.56Å; Y206-G219 WeakPolarHBondContact O-CA 3.47Å; G219-W236 CarbonylContact O-C 3.57Å; G219-W236 VanDerWaalsContact O-CA 3.28Å; G219-W236 WeakPolarHBondContact O-CA 3.3Å; G219-V237 PolarHBondContact N-O 2.92Å; G219-V237 PolarHBondContact O-N 3.34Å; G219-M368 VanDerWaalsContact C-CE 3.42Å; G219-M368 WeakPolarHBondContact O-CE 3.17Å
220	E	95.3	Very high	83	Confident	23 Å²	23	55.3 Å²	55.3	11%	0.107	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.7	175.7	177.7	173.5	-178.8	0	0	109	Y206 R222	Y206-E220 PolarHBondContact N-O 2.82Å; Y206-E220 PolarHBondContact O-N 3.09Å; E220-R222 HydrophobicContact CG-CG 4.38Å; E220-R222 IonicContact OE1-CZ 3.8Å; E220-R222 IonicContact OE1-NE 3.87Å; E220-R222 PolarHBondContact OE1-NE 3.41Å; E220-R222 IonicContact OE1-NH2 2.79Å; E220-R222 PolarHBondContact OE1-NH2 3.02Å; E220-R222 IonicContact OE2-NH2 3.64Å
221	C	95.1	Very high	82.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.7	167.6	179.1	0	0	0	0	109	V205 I235 M368	V205-C221 HydrophobicContact CG2-CB 4.27Å; C221-I235 HydrophobicContact CB-CG2 3.79Å; C221-I235 PolarHBondContact N-O 3.24Å; C221-I235 WeakPolarHBondContact O-CG2 3.35Å; C221-I235 PolarHBondContact O-N 3.41Å; C221-M368 HydrophobicContact CB-CE 3.95Å; C221-M368 HydrophobicContact CB-SD 4.01Å
222	R	93.3	Very high	82.4	Confident	83 Å²	83	50.7 Å²	50.7	31%	0.313	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	97	176.8	-65.2	-175.2	-175.6	170	8.1	108.6	T202 N203 E220	T202-R222 CarbonylContact C-O 3.36Å; T202-R222 WeakPolarHBondContact CA-O 3.4Å; T202-R222 WeakPolarHBondContact CB-O 3.39Å; N203-R222 PolarHBondContact N-O 2.93Å; E220-R222 HydrophobicContact CG-CG 4.38Å; E220-R222 IonicContact OE1-CZ 3.8Å; E220-R222 IonicContact OE1-NE 3.87Å; E220-R222 PolarHBondContact OE1-NE 3.41Å; E220-R222 IonicContact OE1-NH2 2.79Å; E220-R222 PolarHBondContact OE1-NH2 3.02Å; E220-R222 IonicContact OE2-NH2 3.64Å
223	S	89.4	Confident	83.2	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.8	-178.2	-57	0	0	0	0	111.3	N203 T232 S233 P349 H350	N203-S223 VanDerWaalsContact OD1-CA 3.28Å; N203-S223 WeakPolarHBondContact OD1-CA 3.13Å; S223-T232 CarbonylContact O-C 3.55Å; S223-T232 WeakPolarHBondContact O-CA 3.46Å; S223-S233 PolarHBondContact N-O 3.28Å; S223-S233 PolarHBondContact O-N 3.29Å; S223-S233 PolarHBondContact O-OG 3.07Å; S223-P349 VanDerWaalsContact CB-CD 3.49Å; S223-H350 VanDerWaalsContact CB-ND1 3.31Å; S223-H350 WeakPolarHBondContact CB-ND1 3.2Å; S223-H350 PolarHBondContact OG-CE1 3.21Å; S223-H350 PolarHBondContact OG-ND1 2.55Å
224	C	85.6	Confident	83.7	Confident	31 Å²	31	42.4 Å²	42.4	21%	0.209	22%	0.221	C	C	.	.			trans	-137.8	121.4	170.7	-163	0	0	0	0	107.1	T202 N203 E226 T232	T202-C224 HydrophobicContact CG2-CB 3.91Å; N203-C224 PolarHBondContact ND2-O 3.13Å; N203-C224 PolarHBondContact OD1-N 3.25Å; N203-C224 PolarHBondContact OD1-O 3Å; N203-C224 VanDerWaalsContact OD1-O 3.11Å; C224-E226 PolarHBondContact O-N 3.38Å; C224-T232 HydrophobicContact CB-CG2 4.05Å
225	L	81.5	Confident	84.1	Confident	56 Å²	56	37.3 Å²	37.3	29%	0.293	20%	0.199	S	C	.	.			trans	-70.1	123.1	170.6	-177.3	66.4	0	0	0	107.3	N227 S228 P349	L225-N227 PolarHBondContact O-N 2.87Å; L225-S228 WeakPolarHBondContact O-CB 3.46Å; L225-S228 PolarHBondContact O-N 3.13Å; L225-S228 VanDerWaalsContact O-N 3.16Å; L225-P349 HydrophobicContact CB-CB 4.47Å
226	E	68.1	Low	84.4	Confident	63 Å²	63	40.2 Å²	40.2	29%	0.294	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	137.9	178.4	-63.8	-175.2	159.1	0	0	109.4	C224 S228 N570	C224-E226 PolarHBondContact O-N 3.38Å; E226-S228 PolarHBondContact O-N 3.31Å; E226-N570 VanDerWaalsContact CD-ND2 3.28Å; E226-N570 WeakPolarHBondContact OE1-CB 3.47Å; E226-N570 PolarHBondContact OE1-ND2 3.3Å; E226-N570 PolarHBondContact OE2-ND2 3.39Å
227	N	64.9	Low	84.6	Confident	97 Å²	97	39 Å²	39	52%	0.519	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	10.6	-179.9	-50.2	-50.3	0	0	0	115.6	L225	L225-N227 PolarHBondContact O-N 2.87Å
228	S	70.8	Confident	84.7	Confident	21 Å²	21	36.1 Å²	36.1	15%	0.147	19%	0.188	C	C	.	.			trans	-93.3	151.5	-177.4	-171.1	0	0	0	0	113.9	L225 E226 R230	L225-S228 WeakPolarHBondContact O-CB 3.46Å; L225-S228 PolarHBondContact O-N 3.13Å; L225-S228 VanDerWaalsContact O-N 3.16Å; E226-S228 PolarHBondContact O-N 3.31Å; S228-R230 PolarHBondContact O-N 3.08Å; S228-R230 PolarHBondContact OG-N 2.81Å
229	S	61.6	Low	84.5	Confident	22 Å²	22	36 Å²	36	15%	0.154	19%	0.188	C	C	.	.	S	Bend	trans	-76.6	6.8	173.5	74.1	0	0	0	0	116	D61 R405 K409	D61-S229 WeakPolarHBondContact OD2-CB 3.08Å; D61-S229 PolarHBondContact OD2-N 3.47Å; D61-S229 PolarHBondContact OD2-OG 2.91Å; S229-R405 PolarHBondContact O-NH1 3.46Å; S229-K409 PolarHBondContact OG-NZ 3.06Å
230	R	67.6	Low	84.1	Confident	71 Å²	71	38.1 Å²	38.1	27%	0.268	20%	0.198	S	C	.	.	S	Bend	trans	-84.2	143.5	177.7	-69.4	173.2	174.5	-96.5	-6.3	111.8	S228 K345 E346	S228-R230 PolarHBondContact O-N 3.08Å; S228-R230 PolarHBondContact OG-N 2.81Å; R230-K345 PolarHBondContact NH1-O 3.19Å; R230-E346 IonicContact NH1-OE1 3.76Å; R230-E346 PolarHBondContact NH1-OE1 3.02Å
231	P	73.4	Confident	83.6	Confident	83 Å²	83	39 Å²	39	54%	0.539	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-66.4	164.2	168.2	31.2	-34.4	0	0	0	110.3	S233	P231-S233 PolarHBondContact O-N 3.16Å
232	T	82.1	Confident	82.5	Confident	80 Å²	80	48.9 Å²	48.9	49%	0.491	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-62.6	119.7	172	53.8	0	0	0	0	109.9	T202 S223 C224	T202-T232 HydrophobicContact CG2-CG2 4.16Å; S223-T232 CarbonylContact O-C 3.55Å; S223-T232 WeakPolarHBondContact O-CA 3.46Å; C224-T232 HydrophobicContact CB-CG2 4.05Å
233	S	89.1	Confident	80.8	Confident	11 Å²	11	48.6 Å²	48.6	8%	0.077	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.8	173.6	57.2	0	0	0	0	109.3	S223 P231 E346 P349	S223-S233 PolarHBondContact N-O 3.28Å; S223-S233 PolarHBondContact O-N 3.29Å; S223-S233 PolarHBondContact O-OG 3.07Å; P231-S233 PolarHBondContact O-N 3.16Å; S233-E346 WeakPolarHBondContact CB-O 3.12Å; S233-E346 PolarHBondContact OG-O 3.13Å; S233-P349 WeakPolarHBondContact OG-CD 3.17Å; S233-P349 WeakPolarHBondContact OG-CG 3.41Å
234	S	91.8	Very high	78.9	Confident	27 Å²	27	51 Å²	51	19%	0.189	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.5	177.9	-57.8	0	0	0	0	110.9
235	I	94.2	Very high	76.8	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.015	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.8	168.4	-175.4	169.1	0	0	0	109.3	C221 L260 V347 L348 L365 M368	C221-I235 HydrophobicContact CB-CG2 3.79Å; C221-I235 PolarHBondContact N-O 3.24Å; C221-I235 WeakPolarHBondContact O-CG2 3.35Å; C221-I235 PolarHBondContact O-N 3.41Å; I235-L260 HydrophobicContact CD1-CD2 3.8Å; I235-L260 HydrophobicContact CG1-CD2 4.3Å; I235-V347 HydrophobicContact CD1-CG1 4.25Å; I235-L348 HydrophobicContact CG2-CD2 3.91Å; I235-L365 HydrophobicContact CD1-CD1 3.98Å; I235-M368 HydrophobicContact CG2-CE 4.2Å; I235-M368 HydrophobicContact CG2-SD 4.08Å
236	W	95	Very high	75	Confident	83 Å²	83	60.7 Å²	60.7	31%	0.314	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.2	172.7	-58.7	-80.6	0	0	0	110.5	T218 G219 S258 T259	T218-W236 HydrophobicContact CG2-CB 4.05Å; T218-W236 HydrophobicContact CG2-CG 4.34Å; G219-W236 CarbonylContact O-C 3.57Å; G219-W236 VanDerWaalsContact O-CA 3.28Å; G219-W236 WeakPolarHBondContact O-CA 3.3Å; W236-S258 CarbonylContact O-C 3.42Å; W236-S258 VanDerWaalsContact O-CA 3.29Å; W236-S258 WeakPolarHBondContact O-CA 3.35Å; W236-T259 HydrophobicContact CE3-CG2 3.74Å; W236-T259 HydrophobicContact CZ3-CG2 4.13Å; W236-T259 PolarHBondContact N-O 3.45Å; W236-T259 PolarHBondContact O-N 3.31Å
237	V	95.3	Very high	74	Confident	0 Å²	0	62 Å²	62	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.1	169.3	-177.2	0	0	0	0	106.9	T218 G219 I256 I269 L365 M368 V369 L372	T218-V237 CarbonylContact C-O 3.56Å; T218-V237 WeakPolarHBondContact CA-O 3.48Å; G219-V237 PolarHBondContact N-O 2.92Å; G219-V237 PolarHBondContact O-N 3.34Å; V237-I256 HydrophobicContact CG1-CG2 3.6Å; V237-I269 HydrophobicContact CG2-CD1 4.46Å; V237-L365 HydrophobicContact CG2-CD1 4.38Å; V237-M368 HydrophobicContact CB-CE 4.12Å; V237-M368 HydrophobicContact CG2-CE 3.72Å; V237-M368 HydrophobicContact CG2-CG 4.09Å; V237-M368 HydrophobicContact CG2-SD 3.72Å; V237-V369 HydrophobicContact CG1-CG2 4.14Å; V237-L372 HydrophobicContact CB-CD2 4.45Å; V237-L372 HydrophobicContact CG1-CD2 3.77Å
238	S	93.6	Very high	72.8	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.007	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135	-169.9	-57.2	0	0	0	0	111.3	Y215 Y217 V257	Y215-S238 VanDerWaalsContact CD1-CB 3.41Å; Y217-S238 WeakPolarHBondContact O-CA 3.42Å; S238-V257 PolarHBondContact N-O 3.22Å; S238-V257 PolarHBondContact O-N 3.45Å
239	M	91.2	Very high	71.4	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.005	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.5	171.4	-174.6	178.7	-72.1	0	0	109.2	Y215 A216 Y217 Q254 I256 M300 L372 L373 A376	Y215-M239 CarbonylContact C-O 3.56Å; Y215-M239 VanDerWaalsContact CA-O 3.29Å; Y215-M239 WeakPolarHBondContact CA-O 2.88Å; A216-M239 PolarHBondContact N-O 3.3Å; Y217-M239 HydrophobicContact CD2-SD 4.14Å; Y217-M239 PolarHBondContact O-N 2.87Å; M239-Q254 HydrophobicContact CG-CB 4.17Å; M239-Q254 HydrophobicContact SD-CB 4.31Å; M239-I256 HydrophobicContact CE-CD1 4.37Å; M239-I256 HydrophobicContact CE-CG1 4.39Å; M239-M300 HydrophobicContact CE-CG 4.36Å; M239-M300 HydrophobicContact CE-SD 3.76Å; M239-L372 HydrophobicContact CB-CD2 4.32Å; M239-L373 HydrophobicContact CE-CD2 4.08Å; M239-A376 HydrophobicContact CE-CB 3.53Å; M239-A376 HydrophobicContact SD-CB 3.79Å
240	M	88.3	Confident	70.5	Confident	44 Å²	44	78.4 Å²	78.4	22%	0.217	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	141.4	178.3	-69.9	-144.6	176.5	0	0	111.9	Y215 R255 V257	Y215-M240 HydrophobicContact CD1-CG 4.48Å; M240-R255 PolarHBondContact N-O 3.25Å; M240-V257 HydrophobicContact CE-CG1 4.2Å; M240-V257 HydrophobicContact CE-CG2 4.14Å
241	A	83.1	Confident	69.5	Low	40 Å²	40	80.5 Å²	80.5	33%	0.331	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-71.2	149.6	175.6	0	0	0	0	0	111.4	K214 A216 G243	K214-A241 PolarHBondContact O-N 3.38Å; A216-A241 HydrophobicContact CB-CB 4.24Å; A241-G243 PolarHBondContact O-N 3.18Å
242	R	72.6	Confident	68.6	Low	209 Å²	209	81.4 Å²	81.4	79%	0.789	47%	0.47	S	S	*	.	S	Bend	trans	-72.7	95.6	174	-64.3	-176.9	-175.1	-173.1	0.1	108.8	Q254	R242-Q254 HydrophobicContact CG-CG 3.65Å
243	G	57.6	Low	67.7	Low	76 Å²	76	79.7 Å²	79.7	78%	0.784	47%	0.468	S	S	*	.			trans	115.1	63.7	167.2	0	0	0	0	0	117.3	A241	A241-G243 PolarHBondContact O-N 3.18Å
244	G	49.5	Very low	67	Low	52 Å²	52	80.7 Å²	80.7	54%	0.536	47%	0.472	S	S	.	.			trans	-77.1	131.6	166.4	0	0	0	0	0	113.1	G246 V247	G244-G246 PolarHBondContact O-N 3.15Å; G244-V247 PolarHBondContact O-N 3.29Å
245	Q	40.9	Very low	66.8	Low	214 Å²	214	82.5 Å²	82.5	100%	1	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	94.3	169.7	-88.7	178.7	-24.4	0	0	110.4
246	G	45.2	Very low	66.8	Low	76 Å²	76	82.4 Å²	82.4	78%	0.784	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.1	-14.7	178.8	0	0	0	0	0	114.7	G244 K248	G244-G246 PolarHBondContact O-N 3.15Å; G246-K248 PolarHBondContact O-N 2.99Å
247	V	45.6	Very low	66.7	Low	91 Å²	91	78.7 Å²	78.7	55%	0.552	46%	0.46	S	S	*	.			trans	-93	103.1	177.9	-172.3	0	0	0	0	109.2	G244 K249	G244-V247 PolarHBondContact O-N 3.29Å; V247-K249 PolarHBondContact O-N 3.42Å
248	K	40.5	Very low	66.6	Low	190 Å²	190	78.7 Å²	78.7	83%	0.826	46%	0.46	S	S	*	.			trans	-44.5	125.5	158.4	-87	-179.2	173.6	178.3	0	108.1	G246 S250	G246-K248 PolarHBondContact O-N 2.99Å; K248-S250 PolarHBondContact O-N 3.25Å; K248-S250 PolarHBondContact O-OG 3.04Å
249	K	40.5	Very low	66.7	Low	219 Å²	219	80.3 Å²	80.3	95%	0.952	47%	0.47	S	S	*	.	S	Bend	trans	-15.2	94.5	167.2	-89	-177.9	169.4	-179.5	0	111.5	V247	V247-K249 PolarHBondContact O-N 3.42Å
250	S	42.8	Very low	66.7	Low	76 Å²	76	80.3 Å²	80.3	53%	0.531	47%	0.47	S	S	.	.			trans	-130.1	127.6	168.5	-66.3	0	0	0	0	106.6	K248 I252	K248-S250 PolarHBondContact O-N 3.25Å; K248-S250 PolarHBondContact O-OG 3.04Å; S250-I252 PolarHBondContact O-N 3.42Å
251	A	47.8	Very low	66.8	Low	115 Å²	115	79 Å²	79	95%	0.95	47%	0.465	S	S	*	.			trans	-67	26.8	-175.8	0	0	0	0	0	114.3
252	I	54.6	Low	67	Low	102 Å²	102	83.9 Å²	83.9	52%	0.523	48%	0.476	S	S	.	.			trans	-98.8	120.7	-175.1	-68.4	172.5	0	0	0	107.8	S250 R255 P303	S250-I252 PolarHBondContact O-N 3.42Å; I252-R255 HydrophobicContact CG2-CG 4Å; I252-P303 HydrophobicContact CG2-CB 4.45Å
253	G	62.5	Low	67.8	Low	44 Å²	44	74.6 Å²	74.6	45%	0.454	44%	0.442	S	S	.	.			trans	-62.9	-161.5	-177.1	0	0	0	0	0	115	R255	G253-R255 PolarHBondContact O-N 2.98Å
254	Q	75.5	Confident	69.2	Low	31 Å²	31	80.5 Å²	80.5	15%	0.145	44%	0.44	C	S	.	.			trans	-69.1	119.6	179.2	-72.2	173.5	-72.8	0	0	110.3	M239 R242	M239-Q254 HydrophobicContact CG-CB 4.17Å; M239-Q254 HydrophobicContact SD-CB 4.31Å; R242-Q254 HydrophobicContact CG-CG 3.65Å
255	R	87.6	Confident	71.2	Confident	66 Å²	66	83.2 Å²	83.2	25%	0.249	44%	0.439	C	S	.	.			trans	-96	146	-179.5	-71.2	178.2	-83.1	170.9	-3.5	111.8	M240 I252 G253 E307	M240-R255 PolarHBondContact N-O 3.25Å; I252-R255 HydrophobicContact CG2-CG 4Å; G253-R255 PolarHBondContact O-N 2.98Å; R255-E307 WeakPolarHBondContact CD-OE1 3.4Å; R255-E307 VanDerWaalsContact CD-OE2 3.25Å; R255-E307 WeakPolarHBondContact CD-OE2 3.36Å; R255-E307 IonicContact CZ-OE1 3.77Å; R255-E307 IonicContact NH1-OE1 3.89Å; R255-E307 PolarHBondContact NH1-OE1 3.15Å
256	I	92.6	Very high	73.6	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.5	177.7	-55.3	175.2	0	0	0	109.7	V237 M239 I269 S304 V369 L372 L373	V237-I256 HydrophobicContact CG1-CG2 3.6Å; M239-I256 HydrophobicContact CE-CD1 4.37Å; M239-I256 HydrophobicContact CE-CG1 4.39Å; I256-I269 HydrophobicContact CB-CG2 4.05Å; I256-I269 HydrophobicContact CG2-CB 4.24Å; I256-I269 HydrophobicContact CG2-CG2 3.94Å; I256-I269 PolarHBondContact O-N 3.18Å; I256-S304 PolarHBondContact N-OG 3.05Å; I256-V369 HydrophobicContact CD1-CG1 4.22Å; I256-L372 HydrophobicContact CG2-CD2 4.27Å; I256-L373 HydrophobicContact CD1-CD2 3.94Å
257	V	93.3	Very high	75.9	Confident	6 Å²	6	72.1 Å²	72.1	4%	0.036	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.9	-179.8	-63.2	0	0	0	0	110.8	Y215 S238 M240 E266	Y215-V257 HydrophobicContact CE1-CG2 3.93Å; S238-V257 PolarHBondContact N-O 3.22Å; S238-V257 PolarHBondContact O-N 3.45Å; M240-V257 HydrophobicContact CE-CG1 4.2Å; M240-V257 HydrophobicContact CE-CG2 4.14Å; V257-E266 HydrophobicContact CB-CB 4.28Å; V257-E266 HydrophobicContact CB-CG 4.45Å; V257-E266 HydrophobicContact CG2-CB 4.29Å; V257-E266 HydrophobicContact CG2-CG 4.4Å
258	S	94.4	Very high	78.2	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.4	176.3	68.9	0	0	0	0	110.9	W236 E266 V267 V272	W236-S258 CarbonylContact O-C 3.42Å; W236-S258 VanDerWaalsContact O-CA 3.29Å; W236-S258 WeakPolarHBondContact O-CA 3.35Å; S258-E266 CarbonylContact O-C 3.31Å; S258-E266 WeakPolarHBondContact O-CA 3.38Å; S258-V267 PolarHBondContact N-O 3Å; S258-V267 PolarHBondContact O-N 2.8Å; S258-V267 PolarHBondContact OG-O 3.37Å; S258-V272 WeakPolarHBondContact OG-CG2 3.4Å
259	T	94.7	Very high	80.8	Confident	34 Å²	34	59.2 Å²	59.2	21%	0.209	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	108.9	168.6	-57.4	0	0	0	0	107.5	W236	W236-T259 HydrophobicContact CE3-CG2 3.74Å; W236-T259 HydrophobicContact CZ3-CG2 4.13Å; W236-T259 PolarHBondContact N-O 3.45Å; W236-T259 PolarHBondContact O-N 3.31Å
260	L	92.3	Very high	83.4	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.259	C	S	.	.			trans	-89.9	148.7	-178.8	-57.6	179.5	0	0	0	110.7	I235 I263 V272 L343 V347	I235-L260 HydrophobicContact CD1-CD2 3.8Å; I235-L260 HydrophobicContact CG1-CD2 4.3Å; L260-I263 HydrophobicContact CB-CB 4.22Å; L260-I263 HydrophobicContact CB-CG1 3.84Å; L260-I263 PolarHBondContact O-N 3.02Å; L260-V272 HydrophobicContact CD1-CG2 4.29Å; L260-L343 HydrophobicContact CD1-CD2 4.17Å; L260-V347 HydrophobicContact CD2-CG2 3.98Å
261	P	89.1	Confident	85.8	Confident	15 Å²	15	45.4 Å²	45.4	10%	0.097	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	141.9	174.9	26.2	-34.1	0	0	0	110.7	I263 E346	P261-I263 PolarHBondContact O-N 3.19Å; P261-I263 VanDerWaalsContact O-N 3.08Å; P261-E346 HydrophobicContact CG-CB 3.96Å; P261-E346 WeakPolarHBondContact CG-O 3.1Å
262	Y	86.6	Confident	88.1	Confident	144 Å²	144	40 Å²	40	57%	0.565	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	4.3	-178.8	-51.8	-77.9	0	0	0	116.7	E346	Y262-E346 HydrophobicContact CD2-CB 4.29Å; Y262-E346 HydrophobicContact CD2-CG 4Å; Y262-E346 HydrophobicContact CE2-CB 4.45Å; Y262-E346 HydrophobicContact CE2-CG 4.05Å; Y262-E346 VanDerWaalsContact CE2-OE2 3.31Å; Y262-E346 WeakPolarHBondContact CE2-OE2 2.8Å
263	I	90.1	Very high	90	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.072	17%	0.165	C	C	.	.			trans	-100.4	133	173	-54.4	-58.1	0	0	0	109.6	L260 P261 Q265 V267 I321 R324	L260-I263 HydrophobicContact CB-CB 4.22Å; L260-I263 HydrophobicContact CB-CG1 3.84Å; L260-I263 PolarHBondContact O-N 3.02Å; P261-I263 PolarHBondContact O-N 3.19Å; P261-I263 VanDerWaalsContact O-N 3.08Å; I263-Q265 WeakPolarHBondContact CG2-O 3.22Å; I263-V267 HydrophobicContact CG2-CG2 4.32Å; I263-I321 HydrophobicContact CD1-CG2 3.96Å; I263-I321 HydrophobicContact CG1-CG2 4.34Å; I263-R324 HydrophobicContact CG2-CB 4Å
264	R	87.3	Confident	91.6	Very high	199 Å²	199	33.2 Å²	33.2	75%	0.751	14%	0.144	S	C	*	.	S	Bend	trans	-81.1	-27.5	-173.4	-64.5	-179.8	178.8	-170.7	-3.6	113.9	R324	R264-R324 PolarHBondContact N-O 3.39Å
265	Q	90.6	Very high	92.4	Very high	110 Å²	110	31.9 Å²	31.9	51%	0.514	14%	0.138	S	C	.	.	S	Bend	trans	-115	148.9	-177.6	-64.2	-176.6	-1	0	0	110.6	I263 R324	I263-Q265 WeakPolarHBondContact CG2-O 3.22Å; Q265-R324 HydrophobicContact CB-CB 4.21Å; Q265-R324 HydrophobicContact CB-CG 4.19Å
266	E	91.2	Very high	92.6	Very high	56 Å²	56	29.5 Å²	29.5	26%	0.262	13%	0.13	S	C	.	.			trans	-66.4	143.6	173.9	60.8	-154.2	151.2	0	0	111.2	K214 Y215 V257 S258 R324	K214-E266 IonicContact NZ-OE1 3.01Å; K214-E266 PolarHBondContact NZ-OE1 2.9Å; K214-E266 IonicContact NZ-OE2 3.75Å; K214-E266 PolarHBondContact NZ-OE2 2.76Å; Y215-E266 WeakPolarHBondContact CE1-OE2 3.45Å; Y215-E266 PolarHBondContact OH-OE2 2.94Å; V257-E266 HydrophobicContact CB-CB 4.28Å; V257-E266 HydrophobicContact CB-CG 4.45Å; V257-E266 HydrophobicContact CG2-CB 4.29Å; V257-E266 HydrophobicContact CG2-CG 4.4Å; S258-E266 CarbonylContact O-C 3.31Å; S258-E266 WeakPolarHBondContact O-CA 3.38Å; E266-R324 PolarHBondContact O-NH1 3.09Å
267	V	94.3	Very high	92.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.8	-176.2	-178.5	0	0	0	0	109	S258 I263 I269 I271 V272 F320 I321	S258-V267 PolarHBondContact N-O 3Å; S258-V267 PolarHBondContact O-N 2.8Å; S258-V267 PolarHBondContact OG-O 3.37Å; I263-V267 HydrophobicContact CG2-CG2 4.32Å; V267-I269 PolarHBondContact O-N 3.13Å; V267-I271 HydrophobicContact CG1-CB 4.13Å; V267-I271 HydrophobicContact CG1-CG2 4.09Å; V267-V272 HydrophobicContact CB-CG2 4.38Å; V267-V272 HydrophobicContact CG1-CG2 3.89Å; V267-F320 HydrophobicContact CG1-CE1 4.43Å; V267-I321 HydrophobicContact CG1-CG1 4.2Å
268	P	94.5	Very high	92.4	Very high	11 Å²	11	32.5 Å²	32.5	7%	0.071	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	136.5	173.1	-27.1	33.8	0	0	0	112	I270 I271 V272	P268-I270 VanDerWaalsContact C-N 3.29Å; P268-I270 PolarHBondContact O-N 3.1Å; P268-I271 HydrophobicContact CB-CD1 4.09Å; P268-I271 HydrophobicContact CB-CG1 4.22Å; P268-I271 HydrophobicContact CG-CD1 3.91Å; P268-I271 WeakPolarHBondContact O-CB 3.36Å; P268-I271 PolarHBondContact O-N 3.22Å; P268-I271 VanDerWaalsContact O-N 3.11Å; P268-V272 PolarHBondContact O-N 3.48Å
269	I	94	Very high	92.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-36.9	-170.1	-169.9	65	0	0	0	112.9	V237 I256 V267 I271 V272 F273 L365 V369	V237-I269 HydrophobicContact CG2-CD1 4.46Å; I256-I269 HydrophobicContact CB-CG2 4.05Å; I256-I269 HydrophobicContact CG2-CB 4.24Å; I256-I269 HydrophobicContact CG2-CG2 3.94Å; I256-I269 PolarHBondContact O-N 3.18Å; V267-I269 PolarHBondContact O-N 3.13Å; I269-I271 VanDerWaalsContact C-N 3.29Å; I269-I271 PolarHBondContact O-N 3.34Å; I269-V272 WeakPolarHBondContact O-CA 3.48Å; I269-V272 VanDerWaalsContact O-CB 3.31Å; I269-V272 WeakPolarHBondContact O-CB 3.3Å; I269-V272 PolarHBondContact O-N 3.46Å; I269-F273 HydrophobicContact CD1-CE2 4.49Å; I269-F273 HydrophobicContact CG1-CD2 4.25Å; I269-F273 HydrophobicContact CG1-CE2 3.94Å; I269-F273 WeakPolarHBondContact O-CD2 3.47Å; I269-F273 PolarHBondContact O-N 2.66Å; I269-L365 HydrophobicContact CD1-CD1 3.93Å; I269-L365 HydrophobicContact CD1-CD2 3.86Å; I269-L365 HydrophobicContact CD1-CG 3.94Å; I269-V369 HydrophobicContact CD1-CG2 4.06Å; I269-V369 HydrophobicContact CG1-CG2 3.68Å
270	I	94.9	Very high	92.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-33.7	179.4	-53	-57.5	0	0	0	111.7	P268 V272 F273 R274 I284 I288 S304 L305 A308	P268-I270 VanDerWaalsContact C-N 3.29Å; P268-I270 PolarHBondContact O-N 3.1Å; I270-V272 PolarHBondContact O-N 2.66Å; I270-F273 PolarHBondContact O-N 3.15Å; I270-R274 WeakPolarHBondContact O-CG 3.17Å; I270-R274 PolarHBondContact O-N 3.23Å; I270-I284 HydrophobicContact CD1-CG2 3.85Å; I270-I284 HydrophobicContact CG2-CD1 3.91Å; I270-I288 HydrophobicContact CD1-CD1 4.45Å; I270-S304 WeakPolarHBondContact CG1-O 3.43Å; I270-L305 HydrophobicContact CD1-CD2 3.68Å; I270-L305 HydrophobicContact CD1-CG 4.23Å; I270-L305 HydrophobicContact CG1-CD2 3.95Å; I270-L305 HydrophobicContact CG1-CG 4.41Å; I270-L305 HydrophobicContact CG2-CD2 4.01Å; I270-A308 HydrophobicContact CB-CB 3.53Å; I270-A308 HydrophobicContact CG1-CB 4.36Å; I270-A308 HydrophobicContact CG2-CB 3.49Å; I270-A308 VanDerWaalsContact CG2-CB 3.49Å
271	I	94.8	Very high	92.1	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-65.8	-32.2	174.8	-63.3	178	0	0	0	110.7	V267 P268 I269 A275 A308 I311 A317 F320	V267-I271 HydrophobicContact CG1-CB 4.13Å; V267-I271 HydrophobicContact CG1-CG2 4.09Å; P268-I271 HydrophobicContact CB-CD1 4.09Å; P268-I271 HydrophobicContact CB-CG1 4.22Å; P268-I271 HydrophobicContact CG-CD1 3.91Å; P268-I271 WeakPolarHBondContact O-CB 3.36Å; P268-I271 PolarHBondContact O-N 3.22Å; P268-I271 VanDerWaalsContact O-N 3.11Å; I269-I271 VanDerWaalsContact C-N 3.29Å; I269-I271 PolarHBondContact O-N 3.34Å; I271-A275 WeakPolarHBondContact O-CB 3.46Å; I271-A275 PolarHBondContact O-N 3.32Å; I271-A308 HydrophobicContact CG1-CB 4.12Å; I271-I311 HydrophobicContact CD1-CD1 3.87Å; I271-I311 HydrophobicContact CG1-CD1 4.4Å; I271-A317 HydrophobicContact CG2-CB 4.06Å; I271-F320 HydrophobicContact CD1-CD1 4.05Å; I271-F320 HydrophobicContact CD1-CE1 3.55Å; I271-F320 HydrophobicContact CD1-CZ 3.83Å; I271-F320 HydrophobicContact CG2-CD1 3.88Å; I271-F320 HydrophobicContact CG2-CE1 4.31Å
272	V	95	Very high	92.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-67.7	-43.8	175.5	-174.6	0	0	0	0	110.7	S258 L260 V267 P268 I269 I270 R274 A275 L276 L343 L365	S258-V272 WeakPolarHBondContact OG-CG2 3.4Å; L260-V272 HydrophobicContact CD1-CG2 4.29Å; V267-V272 HydrophobicContact CB-CG2 4.38Å; V267-V272 HydrophobicContact CG1-CG2 3.89Å; P268-V272 PolarHBondContact O-N 3.48Å; I269-V272 WeakPolarHBondContact O-CA 3.48Å; I269-V272 VanDerWaalsContact O-CB 3.31Å; I269-V272 WeakPolarHBondContact O-CB 3.3Å; I269-V272 PolarHBondContact O-N 3.46Å; I270-V272 PolarHBondContact O-N 2.66Å; V272-R274 PolarHBondContact O-N 3.5Å; V272-A275 WeakPolarHBondContact O-CB 3.38Å; V272-A275 PolarHBondContact O-N 3.02Å; V272-A275 VanDerWaalsContact O-N 3.16Å; V272-L276 WeakPolarHBondContact O-CG 3.31Å; V272-L276 PolarHBondContact O-N 3.09Å; V272-L343 HydrophobicContact CG1-CD2 4.27Å; V272-L365 HydrophobicContact CB-CD2 4.35Å; V272-L365 HydrophobicContact CG1-CD2 3.8Å
273	F	95.4	Very high	92.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-44.7	173.8	-80.7	-79.1	0	0	0	112.7	I269 I270 A275 L276 G277 F278 I284 H287 I288 A362 L365	I269-F273 HydrophobicContact CD1-CE2 4.49Å; I269-F273 HydrophobicContact CG1-CD2 4.25Å; I269-F273 HydrophobicContact CG1-CE2 3.94Å; I269-F273 WeakPolarHBondContact O-CD2 3.47Å; I269-F273 PolarHBondContact O-N 2.66Å; I270-F273 PolarHBondContact O-N 3.15Å; F273-A275 VanDerWaalsContact C-N 3.27Å; F273-A275 PolarHBondContact O-N 2.83Å; F273-L276 WeakPolarHBondContact O-CB 3.08Å; F273-L276 PolarHBondContact O-N 2.97Å; F273-L276 VanDerWaalsContact O-N 3.09Å; F273-G277 PolarHBondContact O-N 3.41Å; F273-F278 PolarHBondContact O-N 2.98Å; F273-F278 VanDerWaalsContact O-N 3.17Å; F273-I284 HydrophobicContact CB-CD1 3.92Å; F273-I284 HydrophobicContact CB-CG1 3.89Å; F273-I284 HydrophobicContact CB-CG2 4.03Å; F273-I284 HydrophobicContact CD1-CG2 4.32Å; F273-I284 HydrophobicContact CD2-CG2 3.85Å; F273-I284 HydrophobicContact CE2-CG2 4.38Å; F273-I284 HydrophobicContact CG-CG1 4.41Å; F273-I284 HydrophobicContact CG-CG2 3.82Å; F273-H287 HydrophobicContact CE1-CB 4.09Å; F273-I288 HydrophobicContact CE2-CD1 3.94Å; F273-I288 HydrophobicContact CE2-CG1 4.11Å; F273-I288 HydrophobicContact CZ-CD1 4.32Å; F273-I288 HydrophobicContact CZ-CG1 3.99Å; F273-A362 HydrophobicContact CD1-CB 4.21Å; F273-A362 HydrophobicContact CE1-CB 4.08Å; F273-A362 WeakPolarHBondContact CE1-O 3.35Å; F273-L365 HydrophobicContact CD2-CD2 4.49Å; F273-L365 HydrophobicContact CE2-CD2 4.15Å; F273-L365 HydrophobicContact CE2-CG 4.34Å; F273-L365 HydrophobicContact CZ-CB 4.29Å; F273-L365 HydrophobicContact CZ-CD2 4.22Å; F273-L365 HydrophobicContact CZ-CG 4.19Å
274	R	94.4	Very high	92.5	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-35.5	174.6	-68.8	-175.7	-179.6	-93.1	3.1	112.5	I270 V272 G277 F278 V279 D281 I284 I311 Q312 Q314 A317	I270-R274 WeakPolarHBondContact O-CG 3.17Å; I270-R274 PolarHBondContact O-N 3.23Å; V272-R274 PolarHBondContact O-N 3.5Å; R274-G277 PolarHBondContact O-N 3.17Å; R274-F278 VanDerWaalsContact CA-O 3.29Å; R274-F278 WeakPolarHBondContact CA-O 3.25Å; R274-F278 WeakPolarHBondContact CG-O 3.39Å; R274-V279 PolarHBondContact NH1-O 3.39Å; R274-V279 PolarHBondContact NH2-O 3.06Å; R274-D281 IonicContact CZ-OD1 2.61Å; R274-D281 IonicContact NH2-OD1 2.91Å; R274-D281 PolarHBondContact NH2-OD1 3.09Å; R274-D281 IonicContact NH2-OD2 2.88Å; R274-I284 HydrophobicContact CG-CD1 4.08Å; R274-I311 WeakPolarHBondContact CD-O 3.36Å; R274-I311 PolarHBondContact NE-O 3.34Å; R274-Q312 PolarHBondContact NH1-O 3.21Å; R274-Q314 WeakPolarHBondContact O-CA 3.41Å; R274-Q314 WeakPolarHBondContact O-CB 3.47Å; R274-Q314 WeakPolarHBondContact O-CG 3.48Å; R274-A317 HydrophobicContact CB-CB 4.21Å
275	A	93.6	Very high	92.7	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-70.8	-29.4	175	0	0	0	0	0	113.2	I271 V272 F273 G277 Q314 A317 L318 I321 L343	I271-A275 WeakPolarHBondContact O-CB 3.46Å; I271-A275 PolarHBondContact O-N 3.32Å; V272-A275 WeakPolarHBondContact O-CB 3.38Å; V272-A275 PolarHBondContact O-N 3.02Å; V272-A275 VanDerWaalsContact O-N 3.16Å; F273-A275 VanDerWaalsContact C-N 3.27Å; F273-A275 PolarHBondContact O-N 2.83Å; A275-G277 VanDerWaalsContact C-N 3.26Å; A275-G277 PolarHBondContact O-N 2.77Å; A275-Q314 WeakPolarHBondContact O-CG 3.46Å; A275-Q314 PolarHBondContact O-NE2 3.34Å; A275-A317 HydrophobicContact CB-CB 3.98Å; A275-L318 HydrophobicContact CB-CD2 4.06Å; A275-L318 HydrophobicContact CB-CG 4.34Å; A275-I321 HydrophobicContact CB-CD1 3.62Å; A275-L343 HydrophobicContact CB-CD1 3.64Å
276	L	91.5	Very high	92.7	Very high	15 Å²	15	30 Å²	30	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-72.9	-16.7	173	-71.2	170.3	0	0	0	113.1	V272 F273 F278 E358 A362 L365	V272-L276 WeakPolarHBondContact O-CG 3.31Å; V272-L276 PolarHBondContact O-N 3.09Å; F273-L276 WeakPolarHBondContact O-CB 3.08Å; F273-L276 PolarHBondContact O-N 2.97Å; F273-L276 VanDerWaalsContact O-N 3.09Å; L276-F278 HydrophobicContact CB-CD2 4.27Å; L276-E358 HydrophobicContact CD2-CB 4.45Å; L276-A362 HydrophobicContact CD1-CB 4.11Å; L276-L365 HydrophobicContact CD1-CD2 4.27Å
277	G	90.9	Very high	92.7	Very high	36 Å²	36	27.8 Å²	27.8	37%	0.371	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	123.4	-6.9	174.7	0	0	0	0	0	114.7	F273 R274 A275 V279	F273-G277 PolarHBondContact O-N 3.41Å; R274-G277 PolarHBondContact O-N 3.17Å; A275-G277 VanDerWaalsContact C-N 3.26Å; A275-G277 PolarHBondContact O-N 2.77Å; G277-V279 PolarHBondContact O-N 3.42Å
278	F	91.8	Very high	92.5	Very high	34 Å²	34	27.8 Å²	27.8	15%	0.149	15%	0.148	C	C	.	.			trans	-89.2	103.4	-177.5	-60.8	-82.1	0	0	0	111	F273 R274 L276 D283 I284 H287 T359 A362	F273-F278 PolarHBondContact O-N 2.98Å; F273-F278 VanDerWaalsContact O-N 3.17Å; R274-F278 VanDerWaalsContact CA-O 3.29Å; R274-F278 WeakPolarHBondContact CA-O 3.25Å; R274-F278 WeakPolarHBondContact CG-O 3.39Å; L276-F278 HydrophobicContact CB-CD2 4.27Å; F278-D283 HydrophobicContact CD1-CB 4.39Å; F278-I284 HydrophobicContact CB-CG1 4.06Å; F278-H287 AromaticContact CD1-CE1 3.78Å; F278-H287 AromaticContact CE1-CE1 3.46Å; F278-H287 VanDerWaalsContact CE1-CE1 3.46Å; F278-H287 WeakPolarHBondContact CE1-CE1 3.32Å; F278-H287 AromaticContact CE1-NE2 3.61Å; F278-H287 AromaticContact CZ-CE1 3.95Å; F278-H287 AromaticContact CZ-NE2 3.63Å; F278-T359 HydrophobicContact CZ-CG2 4.15Å; F278-A362 HydrophobicContact CD2-CB 3.82Å; F278-A362 HydrophobicContact CE2-CB 3.25Å; F278-A362 HydrophobicContact CZ-CB 3.97Å
279	V	90.8	Very high	92.4	Very high	67 Å²	67	27.4 Å²	27.4	41%	0.406	15%	0.145	S	C	.	.			trans	-93.6	-31.8	-175.1	172.7	0	0	0	0	112.9	R274 G277 Q312	R274-V279 PolarHBondContact NH1-O 3.39Å; R274-V279 PolarHBondContact NH2-O 3.06Å; G277-V279 PolarHBondContact O-N 3.42Å; V279-Q312 WeakPolarHBondContact CG1-O 3.36Å
280	S	92.6	Very high	91.9	Very high	47 Å²	47	28.2 Å²	28.2	33%	0.329	15%	0.148	S	C	.	.			trans	-74.7	126.9	179.1	163.4	0	0	0	0	110.1	R282 D283 I284	S280-R282 PolarHBondContact O-N 2.92Å; S280-R282 PolarHBondContact OG-N 3.16Å; S280-D283 VanDerWaalsContact CB-OD1 3.24Å; S280-D283 WeakPolarHBondContact CB-OD1 3.44Å; S280-D283 WeakPolarHBondContact CB-OD2 3.49Å; S280-D283 PolarHBondContact O-N 3.18Å; S280-D283 PolarHBondContact OG-N 2.98Å; S280-D283 PolarHBondContact OG-OD1 3.32Å; S280-I284 WeakPolarHBondContact O-CG1 3.22Å; S280-I284 PolarHBondContact O-N 2.84Å; S280-I284 VanDerWaalsContact O-N 3.14Å
281	D	91.3	Very high	91.4	Very high	61 Å²	61	32 Å²	32	33%	0.326	17%	0.169	S	C	.	.	H	α-helix	trans	-64.8	-30	178.6	-65.3	-40.5	0	0	0	111.7	R274 I284 L285 L305	R274-D281 IonicContact CZ-OD1 2.61Å; R274-D281 IonicContact NH2-OD1 2.91Å; R274-D281 PolarHBondContact NH2-OD1 3.09Å; R274-D281 IonicContact NH2-OD2 2.88Å; D281-I284 PolarHBondContact O-N 2.9Å; D281-L285 WeakPolarHBondContact O-CB 3.27Å; D281-L285 WeakPolarHBondContact O-CG 3.43Å; D281-L285 PolarHBondContact O-N 2.81Å; D281-L305 HydrophobicContact CB-CD2 4.41Å
282	R	91.1	Very high	91	Very high	165 Å²	165	35.4 Å²	35.4	62%	0.623	18%	0.184	S	C	*	.	H	α-helix	trans	-60.9	-48.7	173.6	-178.8	-178.6	176.2	126.2	2.9	110.4	S280 I284 L285 E286	S280-R282 PolarHBondContact O-N 2.92Å; S280-R282 PolarHBondContact OG-N 3.16Å; R282-I284 VanDerWaalsContact C-N 3.32Å; R282-I284 PolarHBondContact O-N 3.16Å; R282-L285 WeakPolarHBondContact O-CB 3.35Å; R282-L285 PolarHBondContact O-N 2.89Å; R282-L285 VanDerWaalsContact O-N 3.15Å; R282-E286 HydrophobicContact CG-CG 4.49Å; R282-E286 IonicContact CZ-OE1 3.33Å; R282-E286 IonicContact NE-OE1 2.7Å; R282-E286 PolarHBondContact NE-OE1 3.43Å; R282-E286 IonicContact NH2-OE1 2.7Å; R282-E286 WeakPolarHBondContact O-CG 3.4Å; R282-E286 PolarHBondContact O-N 2.91Å
283	D	90.1	Very high	90.6	Very high	59 Å²	59	42.3 Å²	42.3	32%	0.316	22%	0.22	S	C	.	.	H	α-helix	trans	-62.7	-43.1	-178.8	-52.2	11.5	0	0	0	109.6	F278 S280 L285 E286 H287	F278-D283 HydrophobicContact CD1-CB 4.39Å; S280-D283 VanDerWaalsContact CB-OD1 3.24Å; S280-D283 WeakPolarHBondContact CB-OD1 3.44Å; S280-D283 WeakPolarHBondContact CB-OD2 3.49Å; S280-D283 PolarHBondContact O-N 3.18Å; S280-D283 PolarHBondContact OG-N 2.98Å; S280-D283 PolarHBondContact OG-OD1 3.32Å; D283-L285 VanDerWaalsContact C-N 3.3Å; D283-L285 PolarHBondContact O-N 3.44Å; D283-E286 WeakPolarHBondContact O-CB 3.41Å; D283-E286 PolarHBondContact O-N 2.85Å; D283-H287 PolarHBondContact O-N 3.39Å; D283-H287 PolarHBondContact O-ND1 3Å
284	I	92.4	Very high	90.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-43.3	176.7	-61.3	174.4	0	0	0	111	I270 F273 R274 F278 S280 D281 R282 H287 I288	I270-I284 HydrophobicContact CD1-CG2 3.85Å; I270-I284 HydrophobicContact CG2-CD1 3.91Å; F273-I284 HydrophobicContact CB-CD1 3.92Å; F273-I284 HydrophobicContact CB-CG1 3.89Å; F273-I284 HydrophobicContact CB-CG2 4.03Å; F273-I284 HydrophobicContact CD1-CG2 4.32Å; F273-I284 HydrophobicContact CD2-CG2 3.85Å; F273-I284 HydrophobicContact CE2-CG2 4.38Å; F273-I284 HydrophobicContact CG-CG1 4.41Å; F273-I284 HydrophobicContact CG-CG2 3.82Å; R274-I284 HydrophobicContact CG-CD1 4.08Å; F278-I284 HydrophobicContact CB-CG1 4.06Å; S280-I284 WeakPolarHBondContact O-CG1 3.22Å; S280-I284 PolarHBondContact O-N 2.84Å; S280-I284 VanDerWaalsContact O-N 3.14Å; D281-I284 PolarHBondContact O-N 2.9Å; R282-I284 VanDerWaalsContact C-N 3.32Å; R282-I284 PolarHBondContact O-N 3.16Å; I284-H287 PolarHBondContact O-N 2.92Å; I284-I288 HydrophobicContact CG2-CD1 3.98Å; I284-I288 WeakPolarHBondContact O-CG1 3.25Å; I284-I288 PolarHBondContact O-N 3.42Å
285	L	91.9	Very high	90.1	Very high	24 Å²	24	47.9 Å²	47.9	13%	0.126	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-39.9	176.7	-76.3	171.5	0	0	0	111.8	D281 R282 D283 H287 I288 I289 F292 V301 L305	D281-L285 WeakPolarHBondContact O-CB 3.27Å; D281-L285 WeakPolarHBondContact O-CG 3.43Å; D281-L285 PolarHBondContact O-N 2.81Å; R282-L285 WeakPolarHBondContact O-CB 3.35Å; R282-L285 PolarHBondContact O-N 2.89Å; R282-L285 VanDerWaalsContact O-N 3.15Å; D283-L285 VanDerWaalsContact C-N 3.3Å; D283-L285 PolarHBondContact O-N 3.44Å; L285-H287 PolarHBondContact O-N 3.29Å; L285-I288 PolarHBondContact O-N 3.31Å; L285-I289 HydrophobicContact CD2-CD1 4.32Å; L285-I289 PolarHBondContact O-N 2.98Å; L285-F292 HydrophobicContact CB-CE1 3.85Å; L285-F292 HydrophobicContact CB-CZ 4.18Å; L285-V301 HydrophobicContact CD2-CG1 3.64Å; L285-L305 HydrophobicContact CD1-CD1 4.13Å; L285-L305 HydrophobicContact CD2-CD1 4.02Å; L285-L305 HydrophobicContact CG-CD1 4.2Å
286	E	90.3	Very high	90	Very high	41 Å²	41	52.8 Å²	52.8	19%	0.192	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-29	176.2	-74.1	178.9	-174.6	0	0	112.5	R282 D283 F292 P558	R282-E286 HydrophobicContact CG-CG 4.49Å; R282-E286 IonicContact CZ-OE1 3.33Å; R282-E286 IonicContact NE-OE1 2.7Å; R282-E286 PolarHBondContact NE-OE1 3.43Å; R282-E286 IonicContact NH2-OE1 2.7Å; R282-E286 WeakPolarHBondContact O-CG 3.4Å; R282-E286 PolarHBondContact O-N 2.91Å; D283-E286 WeakPolarHBondContact O-CB 3.41Å; D283-E286 PolarHBondContact O-N 2.85Å; E286-F292 HydrophobicContact CB-CZ 4.16Å; E286-F292 HydrophobicContact CG-CE2 3.51Å; E286-F292 HydrophobicContact CG-CZ 3.36Å; E286-P558 HydrophobicContact CB-CB 3.89Å; E286-P558 HydrophobicContact CB-CG 4.08Å; E286-P558 HydrophobicContact CG-CB 4.47Å
287	H	90.4	Very high	90	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.046	28%	0.275	C	S	.	.	H	α-helix	trans	-80.2	-25.5	175.8	-68.4	76.2	0	0	0	113.3	F273 F278 D283 I284 L285 Y363 G366	F273-H287 HydrophobicContact CE1-CB 4.09Å; F278-H287 AromaticContact CD1-CE1 3.78Å; F278-H287 AromaticContact CE1-CE1 3.46Å; F278-H287 VanDerWaalsContact CE1-CE1 3.46Å; F278-H287 WeakPolarHBondContact CE1-CE1 3.32Å; F278-H287 AromaticContact CE1-NE2 3.61Å; F278-H287 AromaticContact CZ-CE1 3.95Å; F278-H287 AromaticContact CZ-NE2 3.63Å; D283-H287 PolarHBondContact O-N 3.39Å; D283-H287 PolarHBondContact O-ND1 3Å; I284-H287 PolarHBondContact O-N 2.92Å; L285-H287 PolarHBondContact O-N 3.29Å; H287-Y363 AromaticContact CD2-CD1 3.69Å; H287-Y363 AromaticContact CD2-CD2 3.97Å; H287-Y363 AromaticContact CD2-CE1 3.81Å; H287-Y363 AromaticContact CD2-CG 3.77Å; H287-Y363 AromaticContact NE2-CE2 3.91Å; H287-Y363 AromaticContact NE2-CZ 3.94Å; H287-G366 CarbonylContact O-C 3.59Å; H287-G366 VanDerWaalsContact O-CA 3.26Å; H287-G366 WeakPolarHBondContact O-CA 3.49Å
288	I	92	Very high	89.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-95.9	-43.9	-176.9	-61.1	168.1	0	0	0	111.4	I270 F273 I284 L285 V369 H370 L373	I270-I288 HydrophobicContact CD1-CD1 4.45Å; F273-I288 HydrophobicContact CE2-CD1 3.94Å; F273-I288 HydrophobicContact CE2-CG1 4.11Å; F273-I288 HydrophobicContact CZ-CD1 4.32Å; F273-I288 HydrophobicContact CZ-CG1 3.99Å; I284-I288 HydrophobicContact CG2-CD1 3.98Å; I284-I288 WeakPolarHBondContact O-CG1 3.25Å; I284-I288 PolarHBondContact O-N 3.42Å; L285-I288 PolarHBondContact O-N 3.31Å; I288-V369 HydrophobicContact CD1-CG1 4.36Å; I288-V369 HydrophobicContact CG1-CB 4.44Å; I288-V369 HydrophobicContact CG1-CG1 4.45Å; I288-V369 HydrophobicContact CG2-CB 4.08Å; I288-V369 HydrophobicContact CG2-CG1 3.66Å; I288-H370 WeakPolarHBondContact O-CB 3.49Å; I288-H370 PolarHBondContact O-ND1 3.43Å; I288-L373 HydrophobicContact CG2-CD1 3.94Å
289	I	90.8	Very high	89.8	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.015	29%	0.293	C	S	.	.			trans	-122.3	107.2	-173.8	-50	-179	0	0	0	107	L285 D291 M297 M298 V301	L285-I289 HydrophobicContact CD2-CD1 4.32Å; L285-I289 PolarHBondContact O-N 2.98Å; I289-D291 VanDerWaalsContact C-N 3.3Å; I289-D291 WeakPolarHBondContact CG2-O 3.24Å; I289-M297 HydrophobicContact CB-SD 4.43Å; I289-M297 HydrophobicContact CD1-CB 4.1Å; I289-M297 HydrophobicContact CD1-CG 3.71Å; I289-M297 HydrophobicContact CD1-SD 4.19Å; I289-M297 HydrophobicContact CG1-CG 4.02Å; I289-M297 HydrophobicContact CG1-SD 3.82Å; I289-M297 HydrophobicContact CG2-SD 4.08Å; I289-M298 HydrophobicContact CD1-CG 4.05Å; I289-V301 HydrophobicContact CD1-CG1 4.12Å
290	Y	84.9	Confident	89.7	Confident	18 Å²	18	55.9 Å²	55.9	7%	0.071	28%	0.28	C	S	.	.	S	Bend	trans	-78	-18.7	-178.9	-48	-55.9	0	0	0	112.9	I561 W573	Y290-I561 HydrophobicContact CD1-CB 4.27Å; Y290-I561 HydrophobicContact CD1-CD1 4.43Å; Y290-I561 HydrophobicContact CD1-CG2 3.9Å; Y290-I561 HydrophobicContact CD2-CG2 4.11Å; Y290-I561 HydrophobicContact CE1-CG2 4.2Å; Y290-I561 HydrophobicContact CE2-CG2 4.39Å; Y290-I561 HydrophobicContact CG-CB 4.36Å; Y290-I561 HydrophobicContact CG-CG2 3.86Å; Y290-W573 HydrophobicContact CE1-CH2 4.22Å
291	D	84.6	Confident	89.6	Confident	80 Å²	80	53.7 Å²	53.7	43%	0.428	26%	0.264	S	S	.	.			trans	-121	106.2	179.9	-176.4	3.7	0	0	0	110.5	I289 D293	I289-D291 VanDerWaalsContact C-N 3.3Å; I289-D291 WeakPolarHBondContact CG2-O 3.24Å; D291-D293 PolarHBondContact O-N 3.3Å; D291-D293 WeakPolarHBondContact OD1-CB 3.12Å; D291-D293 PolarHBondContact OD1-N 2.96Å
292	F	85.2	Confident	89.6	Confident	75 Å²	75	55.5 Å²	55.5	33%	0.329	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.4	-179.3	-70.1	-46.1	0	0	0	114.5	L285 E286 D294	L285-F292 HydrophobicContact CB-CE1 3.85Å; L285-F292 HydrophobicContact CB-CZ 4.18Å; E286-F292 HydrophobicContact CB-CZ 4.16Å; E286-F292 HydrophobicContact CG-CE2 3.51Å; E286-F292 HydrophobicContact CG-CZ 3.36Å; F292-D294 PolarHBondContact O-N 2.94Å
293	D	87.1	Confident	89.5	Confident	146 Å²	146	48.5 Å²	48.5	78%	0.781	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.2	177.3	-65.9	-25.5	0	0	0	112.3	D291 P295	D291-D293 PolarHBondContact O-N 3.3Å; D291-D293 WeakPolarHBondContact OD1-CB 3.12Å; D291-D293 PolarHBondContact OD1-N 2.96Å; D293-P295 WeakPolarHBondContact O-CD 3.45Å
294	D	88.9	Confident	89.5	Confident	26 Å²	26	45.7 Å²	45.7	14%	0.139	23%	0.23	C	C	.	.			trans	-96.7	93.9	177.6	-179.7	15.1	0	0	0	113.5	F292 E296 M297 M298 R379	F292-D294 PolarHBondContact O-N 2.94Å; D294-E296 VanDerWaalsContact C-N 3.26Å; D294-E296 PolarHBondContact O-N 2.87Å; D294-E296 WeakPolarHBondContact OD1-CB 3.31Å; D294-E296 PolarHBondContact OD1-N 3.47Å; D294-M297 VanDerWaalsContact OD2-CB 3.28Å; D294-M297 WeakPolarHBondContact OD2-CB 3.07Å; D294-M298 WeakPolarHBondContact O-CG 3.41Å; D294-M298 PolarHBondContact O-N 3.26Å; D294-R379 IonicContact OD1-CZ 3.74Å; D294-R379 IonicContact OD1-NH2 2.73Å; D294-R379 PolarHBondContact OD1-NH2 2.94Å; D294-R379 IonicContact OD2-CZ 3.57Å; D294-R379 IonicContact OD2-NH1 3.91Å; D294-R379 PolarHBondContact OD2-NH1 3.2Å; D294-R379 IonicContact OD2-NH2 3.46Å; D294-R379 PolarHBondContact OD2-NH2 2.83Å
295	P	90.4	Very high	89.4	Confident	95 Å²	95	47 Å²	47	62%	0.617	24%	0.237	S	C	*	.	H	α-helix	trans	-69.7	-23	-177.7	29.9	-37.2	0	0	0	113.1	D293 M298 E299	D293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-M298 PolarHBondContact O-N 3.49Å; P295-E299 WeakPolarHBondContact O-CB 3.24Å; P295-E299 PolarHBondContact O-N 2.94Å
296	E	92	Very high	89.3	Confident	106 Å²	106	51 Å²	51	50%	0.495	26%	0.258	S	S	.	.	H	α-helix	trans	-69.5	-44.2	-176	-172.1	-176.2	-150.8	0	0	110.9	D294 M298 E299 M300 L377 R379	D294-E296 VanDerWaalsContact C-N 3.26Å; D294-E296 PolarHBondContact O-N 2.87Å; D294-E296 WeakPolarHBondContact OD1-CB 3.31Å; D294-E296 PolarHBondContact OD1-N 3.47Å; E296-M298 VanDerWaalsContact C-N 3.35Å; E296-E299 PolarHBondContact O-N 3.45Å; E296-M300 PolarHBondContact O-N 3.42Å; E296-L377 HydrophobicContact CG-CD1 4.34Å; E296-L377 HydrophobicContact CG-CD2 3.81Å; E296-R379 IonicContact OE2-CZ 2.76Å; E296-R379 IonicContact OE2-NE 2.88Å; E296-R379 IonicContact OE2-NH2 3.3Å; E296-R379 PolarHBondContact OE2-NH2 2.89Å
297	M	90.6	Very high	89.1	Confident	2 Å²	2	52 Å²	52	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-68.3	-36.6	176.4	-165.1	175.5	-59.9	0	0	111.5	I289 D294 M300 V301 L373 L374 L377	I289-M297 HydrophobicContact CB-SD 4.43Å; I289-M297 HydrophobicContact CD1-CB 4.1Å; I289-M297 HydrophobicContact CD1-CG 3.71Å; I289-M297 HydrophobicContact CD1-SD 4.19Å; I289-M297 HydrophobicContact CG1-CG 4.02Å; I289-M297 HydrophobicContact CG1-SD 3.82Å; I289-M297 HydrophobicContact CG2-SD 4.08Å; D294-M297 VanDerWaalsContact OD2-CB 3.28Å; D294-M297 WeakPolarHBondContact OD2-CB 3.07Å; M297-M300 PolarHBondContact O-N 2.86Å; M297-V301 PolarHBondContact O-N 3.11Å; M297-L373 HydrophobicContact CG-CB 4.19Å; M297-L373 HydrophobicContact CG-CD1 3.72Å; M297-L373 HydrophobicContact CG-CG 4.46Å; M297-L373 HydrophobicContact SD-CB 4.3Å; M297-L373 HydrophobicContact SD-CD1 4.05Å; M297-L374 HydrophobicContact CE-CD2 3.92Å; M297-L377 HydrophobicContact CB-CD1 4.28Å; M297-L377 HydrophobicContact CE-CD1 4.39Å
298	M	89.2	Confident	89.1	Confident	71 Å²	71	51.5 Å²	51.5	35%	0.35	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-44.4	175.4	-68.1	-177.9	71.9	0	0	112.6	I289 D294 P295 E296 M300 V301 K302	I289-M298 HydrophobicContact CD1-CG 4.05Å; D294-M298 WeakPolarHBondContact O-CG 3.41Å; D294-M298 PolarHBondContact O-N 3.26Å; P295-M298 PolarHBondContact O-N 3.49Å; E296-M298 VanDerWaalsContact C-N 3.35Å; M298-M300 VanDerWaalsContact C-N 3.27Å; M298-M300 PolarHBondContact O-N 3.32Å; M298-V301 WeakPolarHBondContact O-CG1 3.43Å; M298-V301 PolarHBondContact O-N 2.85Å; M298-K302 WeakPolarHBondContact O-CB 3.27Å; M298-K302 PolarHBondContact O-N 3.29Å; M298-K302 VanDerWaalsContact O-N 3.11Å
299	E	89.7	Confident	89	Confident	117 Å²	117	57.8 Å²	57.8	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-66.2	-31.7	177.8	-174.2	62.8	-162.7	0	0	111.4	P295 E296 K302 P303	P295-E299 WeakPolarHBondContact O-CB 3.24Å; P295-E299 PolarHBondContact O-N 2.94Å; E296-E299 PolarHBondContact O-N 3.45Å; E299-K302 IonicContact OE2-NZ 2.74Å; E299-P303 WeakPolarHBondContact O-CD 3.39Å
300	M	88.6	Confident	89	Confident	28 Å²	28	63.4 Å²	63.4	14%	0.138	32%	0.323	C	S	.	.	H	α-helix	trans	-70.4	-34.2	177.1	-170	176.5	-98.1	0	0	113.1	M239 E296 M297 M298 L373 A376 L377	M239-M300 HydrophobicContact CE-CG 4.36Å; M239-M300 HydrophobicContact CE-SD 3.76Å; E296-M300 PolarHBondContact O-N 3.42Å; M297-M300 PolarHBondContact O-N 2.86Å; M298-M300 VanDerWaalsContact C-N 3.27Å; M298-M300 PolarHBondContact O-N 3.32Å; M300-L373 HydrophobicContact CB-CD2 4.27Å; M300-L373 HydrophobicContact CG-CD2 3.79Å; M300-L373 HydrophobicContact SD-CD2 3.5Å; M300-L373 VanDerWaalsContact SD-CD2 3.5Å; M300-A376 HydrophobicContact CE-CB 4.01Å; M300-A376 HydrophobicContact SD-CB 3.91Å; M300-L377 HydrophobicContact CE-CD2 3.5Å; M300-L377 VanDerWaalsContact CE-CD2 3.5Å; M300-L377 HydrophobicContact CE-CG 4.11Å; M300-L377 HydrophobicContact SD-CD2 3.96Å; M300-L377 HydrophobicContact SD-CG 4.07Å
301	V	91	Very high	89.3	Confident	1 Å²	1	63 Å²	63	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-83.9	-26.7	179.9	72.7	0	0	0	0	113.2	L285 I289 M297 M298 P303 S304 L305	L285-V301 HydrophobicContact CD2-CG1 3.64Å; I289-V301 HydrophobicContact CD1-CG1 4.12Å; M297-V301 PolarHBondContact O-N 3.11Å; M298-V301 WeakPolarHBondContact O-CG1 3.43Å; M298-V301 PolarHBondContact O-N 2.85Å; V301-P303 VanDerWaalsContact C-CD 3.49Å; V301-S304 WeakPolarHBondContact O-CB 3.48Å; V301-S304 PolarHBondContact O-N 3.14Å; V301-L305 HydrophobicContact CG1-CD1 4.49Å; V301-L305 PolarHBondContact O-N 2.81Å
302	K	89.8	Confident	89.6	Confident	99 Å²	99	64.1 Å²	64.1	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-48.8	-44.6	-177.2	179.2	-178	176	-173.7	0	115.3	M298 E299 S304 L305 D306	M298-K302 WeakPolarHBondContact O-CB 3.27Å; M298-K302 PolarHBondContact O-N 3.29Å; M298-K302 VanDerWaalsContact O-N 3.11Å; E299-K302 IonicContact OE2-NZ 2.74Å; K302-S304 PolarHBondContact O-N 3.26Å; K302-S304 VanDerWaalsContact O-N 3.11Å; K302-L305 WeakPolarHBondContact O-CB 3.14Å; K302-L305 PolarHBondContact O-N 3.44Å; K302-D306 PolarHBondContact O-N 3.44Å
303	P	89.8	Confident	90	Very high	18 Å²	18	66.5 Å²	66.5	12%	0.117	34%	0.336	C	S	.	.	H	α-helix	trans	-59.1	-27.1	176.8	-25	34.4	0	0	0	114.4	I252 E299 V301 E307	I252-P303 HydrophobicContact CG2-CB 4.45Å; E299-P303 WeakPolarHBondContact O-CD 3.39Å; V301-P303 VanDerWaalsContact C-CD 3.49Å; P303-E307 PolarHBondContact O-N 3Å
304	S	90.2	Very high	90.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-82	-27	177.6	-54	0	0	0	0	112.3	I256 I270 V301 K302	I256-S304 PolarHBondContact N-OG 3.05Å; I270-S304 WeakPolarHBondContact CG1-O 3.43Å; V301-S304 WeakPolarHBondContact O-CB 3.48Å; V301-S304 PolarHBondContact O-N 3.14Å; K302-S304 PolarHBondContact O-N 3.26Å; K302-S304 VanDerWaalsContact O-N 3.11Å
305	L	89.9	Confident	90.5	Very high	27 Å²	27	66.1 Å²	66.1	14%	0.141	33%	0.332	C	S	.	.	H	α-helix	trans	-70.4	-47.2	171.1	-73.7	168.1	0	0	0	110.7	I270 D281 L285 V301 K302 E307 A308 F309	I270-L305 HydrophobicContact CD1-CD2 3.68Å; I270-L305 HydrophobicContact CD1-CG 4.23Å; I270-L305 HydrophobicContact CG1-CD2 3.95Å; I270-L305 HydrophobicContact CG1-CG 4.41Å; I270-L305 HydrophobicContact CG2-CD2 4.01Å; D281-L305 HydrophobicContact CB-CD2 4.41Å; L285-L305 HydrophobicContact CD1-CD1 4.13Å; L285-L305 HydrophobicContact CD2-CD1 4.02Å; L285-L305 HydrophobicContact CG-CD1 4.2Å; V301-L305 HydrophobicContact CG1-CD1 4.49Å; V301-L305 PolarHBondContact O-N 2.81Å; K302-L305 WeakPolarHBondContact O-CB 3.14Å; K302-L305 PolarHBondContact O-N 3.44Å; L305-E307 PolarHBondContact O-N 3.18Å; L305-A308 PolarHBondContact O-N 3.03Å; L305-F309 PolarHBondContact O-N 3.03Å
306	D	89.3	Confident	90.7	Very high	107 Å²	107	64.1 Å²	64.1	57%	0.572	32%	0.318	S	S	*	.	H	α-helix	trans	-58.2	-37.2	178.4	-68.7	-19.9	0	0	0	112	K302 A308 F309	K302-D306 PolarHBondContact O-N 3.44Å; D306-A308 VanDerWaalsContact C-N 3.33Å; D306-A308 PolarHBondContact O-N 2.78Å; D306-F309 WeakPolarHBondContact O-CB 3.34Å
307	E	86.8	Confident	90.8	Very high	62 Å²	62	59.1 Å²	59.1	29%	0.29	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-33.2	176.4	-176.6	171.8	-137	0	0	112.8	R255 P303 L305	R255-E307 WeakPolarHBondContact CD-OE1 3.4Å; R255-E307 VanDerWaalsContact CD-OE2 3.25Å; R255-E307 WeakPolarHBondContact CD-OE2 3.36Å; R255-E307 IonicContact CZ-OE1 3.77Å; R255-E307 IonicContact NH1-OE1 3.89Å; R255-E307 PolarHBondContact NH1-OE1 3.15Å; P303-E307 PolarHBondContact O-N 3Å; L305-E307 PolarHBondContact O-N 3.18Å
308	A	89.4	Confident	90.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-88.8	-7.1	-176.5	0	0	0	0	0	114.1	I270 I271 L305 D306 V310 I311	I270-A308 HydrophobicContact CB-CB 3.53Å; I270-A308 HydrophobicContact CG1-CB 4.36Å; I270-A308 HydrophobicContact CG2-CB 3.49Å; I270-A308 VanDerWaalsContact CG2-CB 3.49Å; I271-A308 HydrophobicContact CG1-CB 4.12Å; L305-A308 PolarHBondContact O-N 3.03Å; D306-A308 VanDerWaalsContact C-N 3.33Å; D306-A308 PolarHBondContact O-N 2.78Å; A308-V310 PolarHBondContact O-N 2.84Å; A308-I311 PolarHBondContact O-N 3.25Å
309	F	89.9	Confident	91.1	Very high	132 Å²	132	57.6 Å²	57.6	58%	0.579	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.3	-178.2	-173.9	-98.8	0	0	0	113.9	L305 D306 I311	L305-F309 PolarHBondContact O-N 3.03Å; D306-F309 WeakPolarHBondContact O-CB 3.34Å; F309-I311 PolarHBondContact O-N 3.37Å
310	V	91.1	Very high	91.2	Very high	121 Å²	121	54.4 Å²	54.4	73%	0.733	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.3	179.2	-66.9	0	0	0	0	114.7	A308	A308-V310 PolarHBondContact O-N 2.84Å
311	I	92.3	Very high	91.4	Very high	11 Å²	11	53.1 Å²	53.1	6%	0.056	27%	0.266	C	S	.	.			trans	-124.6	110.6	-177.8	-65.6	160.4	0	0	0	108.3	I271 R274 A308 F309 V316 A317 F320	I271-I311 HydrophobicContact CD1-CD1 3.87Å; I271-I311 HydrophobicContact CG1-CD1 4.4Å; R274-I311 WeakPolarHBondContact CD-O 3.36Å; R274-I311 PolarHBondContact NE-O 3.34Å; A308-I311 PolarHBondContact O-N 3.25Å; F309-I311 PolarHBondContact O-N 3.37Å; I311-V316 HydrophobicContact CG1-CG1 4.16Å; I311-V316 HydrophobicContact CG2-CB 4.06Å; I311-V316 HydrophobicContact CG2-CG1 3.94Å; I311-A317 HydrophobicContact CG2-CB 3.88Å; I311-F320 HydrophobicContact CD1-CB 4.13Å; I311-F320 HydrophobicContact CD1-CD1 4.46Å; I311-F320 HydrophobicContact CD1-CD2 3.69Å; I311-F320 HydrophobicContact CD1-CE2 4.07Å; I311-F320 HydrophobicContact CD1-CG 3.87Å
312	Q	90.6	Very high	91.4	Very high	102 Å²	102	53 Å²	53	48%	0.477	27%	0.266	S	S	.	.			trans	-105.9	-17	-179.9	-65.1	-176.3	-9.4	0	0	114.2	R274 V279	R274-Q312 PolarHBondContact NH1-O 3.21Å; V279-Q312 WeakPolarHBondContact CG1-O 3.36Å
313	E	93.2	Very high	91.4	Very high	125 Å²	125	51.4 Å²	51.4	58%	0.584	27%	0.266	S	S	*	.	S	Bend	trans	-105.3	144.6	-178.2	-64.8	-179.8	-177	0	0	113.5	N315 V316 A317	E313-N315 PolarHBondContact O-N 3.42Å; E313-V316 HydrophobicContact CB-CB 4.35Å; E313-V316 HydrophobicContact CB-CG2 4.01Å; E313-V316 PolarHBondContact O-N 3.46Å; E313-A317 PolarHBondContact O-N 3.41Å
314	Q	93.4	Very high	91.4	Very high	75 Å²	75	53.3 Å²	53.3	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-58.7	-45.9	177.4	-176.3	-178.1	24.2	0	0	112.7	R274 A275 V316 A317 L318	R274-Q314 WeakPolarHBondContact O-CA 3.41Å; R274-Q314 WeakPolarHBondContact O-CB 3.47Å; R274-Q314 WeakPolarHBondContact O-CG 3.48Å; A275-Q314 WeakPolarHBondContact O-CG 3.46Å; A275-Q314 PolarHBondContact O-NE2 3.34Å; Q314-V316 VanDerWaalsContact C-N 3.25Å; Q314-V316 PolarHBondContact O-N 2.99Å; Q314-A317 WeakPolarHBondContact O-CB 3.19Å; Q314-A317 PolarHBondContact O-N 3Å; Q314-A317 VanDerWaalsContact O-N 3.14Å; Q314-L318 HydrophobicContact CG-CD1 4.02Å; Q314-L318 HydrophobicContact CG-CG 4.38Å; Q314-L318 WeakPolarHBondContact O-CG 3.23Å; Q314-L318 PolarHBondContact O-N 3.4Å
315	N	93.4	Very high	91.1	Very high	89 Å²	89	53.8 Å²	53.8	48%	0.476	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-33.4	-178.4	-75.2	-32.9	0	0	0	112.5	E313 N319 I336	E313-N315 PolarHBondContact O-N 3.42Å; N315-N319 WeakPolarHBondContact O-CB 3.32Å; N315-N319 PolarHBondContact O-N 3.39Å; N315-N319 VanDerWaalsContact O-N 3.11Å; N315-I336 HydrophobicContact CB-CD1 4.45Å
316	V	94.5	Very high	90.5	Very high	54 Å²	54	53.8 Å²	53.8	33%	0.327	28%	0.28	S	S	.	.	H	α-helix	trans	-72.1	-42.2	175.7	-178.4	0	0	0	0	110.1	I311 E313 Q314 N319 F320	I311-V316 HydrophobicContact CG1-CG1 4.16Å; I311-V316 HydrophobicContact CG2-CB 4.06Å; I311-V316 HydrophobicContact CG2-CG1 3.94Å; E313-V316 HydrophobicContact CB-CB 4.35Å; E313-V316 HydrophobicContact CB-CG2 4.01Å; E313-V316 PolarHBondContact O-N 3.46Å; Q314-V316 VanDerWaalsContact C-N 3.25Å; Q314-V316 PolarHBondContact O-N 2.99Å; V316-N319 PolarHBondContact O-N 2.78Å; V316-F320 WeakPolarHBondContact O-CB 3.31Å; V316-F320 PolarHBondContact O-N 3.22Å
317	A	93.7	Very high	89.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-43.1	174.3	0	0	0	0	0	112.6	I271 R274 A275 I311 E313 Q314 N319 F320 I321	I271-A317 HydrophobicContact CG2-CB 4.06Å; R274-A317 HydrophobicContact CB-CB 4.21Å; A275-A317 HydrophobicContact CB-CB 3.98Å; I311-A317 HydrophobicContact CG2-CB 3.88Å; E313-A317 PolarHBondContact O-N 3.41Å; Q314-A317 WeakPolarHBondContact O-CB 3.19Å; Q314-A317 PolarHBondContact O-N 3Å; Q314-A317 VanDerWaalsContact O-N 3.14Å; A317-N319 PolarHBondContact O-N 2.93Å; A317-F320 VanDerWaalsContact O-CB 3.32Å; A317-F320 WeakPolarHBondContact O-CB 3.5Å; A317-F320 PolarHBondContact O-N 3.24Å; A317-I321 WeakPolarHBondContact O-CG1 3.43Å; A317-I321 PolarHBondContact O-N 3.04Å
318	L	93.6	Very high	89.3	Confident	6 Å²	6	59.5 Å²	59.5	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-42.2	175.6	-73	170.4	0	0	0	112	A275 Q314 F320 I321 G322 I336 A339 K340 L343	A275-L318 HydrophobicContact CB-CD2 4.06Å; A275-L318 HydrophobicContact CB-CG 4.34Å; Q314-L318 HydrophobicContact CG-CD1 4.02Å; Q314-L318 HydrophobicContact CG-CG 4.38Å; Q314-L318 WeakPolarHBondContact O-CG 3.23Å; Q314-L318 PolarHBondContact O-N 3.4Å; L318-F320 VanDerWaalsContact C-N 3.3Å; L318-F320 PolarHBondContact O-N 3.19Å; L318-I321 PolarHBondContact O-N 3.14Å; L318-G322 PolarHBondContact O-N 3.18Å; L318-I336 HydrophobicContact CB-CB 4.41Å; L318-I336 HydrophobicContact CB-CG1 4.24Å; L318-I336 HydrophobicContact CB-CG2 4.01Å; L318-I336 HydrophobicContact CD1-CG2 3.85Å; L318-A339 HydrophobicContact CB-CB 4.35Å; L318-A339 HydrophobicContact CD2-CB 4.04Å; L318-A339 VanDerWaalsContact O-CB 3.22Å; L318-A339 WeakPolarHBondContact O-CB 3.34Å; L318-K340 HydrophobicContact CD2-CB 4.45Å; L318-L343 HydrophobicContact CD2-CD1 3.67Å
319	N	92.8	Very high	88.5	Confident	36 Å²	36	63.3 Å²	63.3	19%	0.193	35%	0.351	C	S	.	.	H	α-helix	trans	-65.6	-35.2	174.4	178.3	52.3	0	0	0	111.9	N315 V316 A317 G322 S323 K332 R335 I336	N315-N319 WeakPolarHBondContact O-CB 3.32Å; N315-N319 PolarHBondContact O-N 3.39Å; N315-N319 VanDerWaalsContact O-N 3.11Å; V316-N319 PolarHBondContact O-N 2.78Å; A317-N319 PolarHBondContact O-N 2.93Å; N319-G322 PolarHBondContact O-N 2.98Å; N319-S323 WeakPolarHBondContact O-CB 3.32Å; N319-S323 PolarHBondContact O-N 2.96Å; N319-S323 PolarHBondContact O-OG 3.43Å; N319-K332 HydrophobicContact CB-CG 4.41Å; N319-R335 PolarHBondContact OD1-NH1 3.47Å; N319-I336 HydrophobicContact CB-CD1 4.46Å; N319-I336 HydrophobicContact CB-CG1 4.05Å
320	F	92.8	Very high	88.2	Confident	50 Å²	50	59.4 Å²	59.4	22%	0.219	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-50.1	174.9	-175.9	-93.2	0	0	0	111.1	V267 I271 I311 V316 A317 L318 G322 S323 R324	V267-F320 HydrophobicContact CG1-CE1 4.43Å; I271-F320 HydrophobicContact CD1-CD1 4.05Å; I271-F320 HydrophobicContact CD1-CE1 3.55Å; I271-F320 HydrophobicContact CD1-CZ 3.83Å; I271-F320 HydrophobicContact CG2-CD1 3.88Å; I271-F320 HydrophobicContact CG2-CE1 4.31Å; I311-F320 HydrophobicContact CD1-CB 4.13Å; I311-F320 HydrophobicContact CD1-CD1 4.46Å; I311-F320 HydrophobicContact CD1-CD2 3.69Å; I311-F320 HydrophobicContact CD1-CE2 4.07Å; I311-F320 HydrophobicContact CD1-CG 3.87Å; V316-F320 WeakPolarHBondContact O-CB 3.31Å; V316-F320 PolarHBondContact O-N 3.22Å; A317-F320 VanDerWaalsContact O-CB 3.32Å; A317-F320 WeakPolarHBondContact O-CB 3.5Å; A317-F320 PolarHBondContact O-N 3.24Å; L318-F320 VanDerWaalsContact C-N 3.3Å; L318-F320 PolarHBondContact O-N 3.19Å; F320-G322 PolarHBondContact O-N 3.36Å; F320-S323 PolarHBondContact O-N 3.5Å; F320-S323 PolarHBondContact O-OG 3.22Å; F320-R324 VanDerWaalsContact CE1-NH1 3.32Å; F320-R324 PolarHBondContact O-N 3.24Å
321	I	92.8	Very high	88.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-47.4	174.5	-64	171.8	0	0	0	110.7	I263 V267 A275 A317 L318 S323 R324 G325 A339 L343	I263-I321 HydrophobicContact CD1-CG2 3.96Å; I263-I321 HydrophobicContact CG1-CG2 4.34Å; V267-I321 HydrophobicContact CG1-CG1 4.2Å; A275-I321 HydrophobicContact CB-CD1 3.62Å; A317-I321 WeakPolarHBondContact O-CG1 3.43Å; A317-I321 PolarHBondContact O-N 3.04Å; L318-I321 PolarHBondContact O-N 3.14Å; I321-S323 VanDerWaalsContact C-N 3.3Å; I321-S323 PolarHBondContact O-N 2.97Å; I321-R324 PolarHBondContact O-N 3.29Å; I321-G325 PolarHBondContact O-N 3.49Å; I321-G325 VanDerWaalsContact O-N 3.11Å; I321-A339 HydrophobicContact CB-CB 4.23Å; I321-A339 HydrophobicContact CG2-CB 4.16Å; I321-L343 HydrophobicContact CD1-CD1 4.18Å; I321-L343 HydrophobicContact CD1-CD2 4.46Å
322	G	90.9	Very high	87.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60	-36.3	-179	0	0	0	0	0	113.4	L318 N319 F320 R324 G325 A326	L318-G322 PolarHBondContact O-N 3.18Å; N319-G322 PolarHBondContact O-N 2.98Å; F320-G322 PolarHBondContact O-N 3.36Å; G322-R324 VanDerWaalsContact C-N 3.29Å; G322-R324 PolarHBondContact O-N 2.96Å; G322-G325 PolarHBondContact O-N 3.29Å; G322-A326 WeakPolarHBondContact O-CB 3.1Å; G322-A326 PolarHBondContact O-N 3.32Å
323	S	89.9	Confident	87.9	Confident	64 Å²	64	64.6 Å²	64.6	45%	0.448	36%	0.359	S	S	.	.	H	α-helix	trans	-68.7	-24.3	175.5	68.7	0	0	0	0	114.2	N319 F320 I321	N319-S323 WeakPolarHBondContact O-CB 3.32Å; N319-S323 PolarHBondContact O-N 2.96Å; N319-S323 PolarHBondContact O-OG 3.43Å; F320-S323 PolarHBondContact O-N 3.5Å; F320-S323 PolarHBondContact O-OG 3.22Å; I321-S323 VanDerWaalsContact C-N 3.3Å; I321-S323 PolarHBondContact O-N 2.97Å
324	R	89.3	Confident	87.7	Confident	59 Å²	59	67.5 Å²	67.5	22%	0.223	37%	0.365	C	S	.	.	H	α-helix	trans	-88.9	-18.8	176.7	-69.6	179.5	170.4	-170.2	-0.7	113.5	I263 R264 Q265 E266 F320 I321 G322	I263-R324 HydrophobicContact CG2-CB 4Å; R264-R324 PolarHBondContact N-O 3.39Å; Q265-R324 HydrophobicContact CB-CB 4.21Å; Q265-R324 HydrophobicContact CB-CG 4.19Å; E266-R324 PolarHBondContact O-NH1 3.09Å; F320-R324 VanDerWaalsContact CE1-NH1 3.32Å; F320-R324 PolarHBondContact O-N 3.24Å; I321-R324 PolarHBondContact O-N 3.29Å; G322-R324 VanDerWaalsContact C-N 3.29Å; G322-R324 PolarHBondContact O-N 2.96Å
325	G	82.6	Confident	87.4	Confident	10 Å²	10	67 Å²	67	10%	0.103	36%	0.359	C	S	.	.	H	α-helix	trans	-95.9	-52.6	176.6	0	0	0	0	0	113.8	I321 G322	I321-G325 PolarHBondContact O-N 3.49Å; I321-G325 VanDerWaalsContact O-N 3.11Å; G322-G325 PolarHBondContact O-N 3.29Å
326	A	77.6	Confident	87.3	Confident	27 Å²	27	64.1 Å²	64.1	22%	0.223	34%	0.344	C	S	.	.	S	Bend	trans	-79.7	156.3	-171.4	0	0	0	0	0	113.1	G322 Y338	G322-A326 WeakPolarHBondContact O-CB 3.1Å; G322-A326 PolarHBondContact O-N 3.32Å; A326-Y338 HydrophobicContact CB-CD1 4.44Å
327	K	77.1	Confident	87.2	Confident	155 Å²	155	68.9 Å²	68.9	67%	0.674	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-64.1	144.4	173	-68.4	-178.3	-178.3	177.3	0	110.4	G329	K327-G329 PolarHBondContact O-N 3.39Å
328	P	73.6	Confident	87	Confident	134 Å²	134	72.6 Å²	72.6	87%	0.87	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	136.8	173.1	-21.7	31.7	0	0	0	111.1
329	G	72.9	Confident	86.9	Confident	79 Å²	79	72.3 Å²	72.3	81%	0.814	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.5	-8	177.6	0	0	0	0	0	116.2	K327	K327-G329 PolarHBondContact O-N 3.39Å
330	V	84.6	Confident	86.9	Confident	51 Å²	51	75.3 Å²	75.3	31%	0.309	38%	0.384	S	S	.	.			trans	-80.9	141.3	174.6	-177.3	0	0	0	0	110.6	R334 R335	V330-R334 HydrophobicContact CG1-CB 3.41Å; V330-R334 VanDerWaalsContact CG1-CB 3.41Å; V330-R334 HydrophobicContact CG1-CG 4.44Å; V330-R335 HydrophobicContact CB-CG 4.23Å; V330-R335 HydrophobicContact CG1-CG 4.16Å; V330-R335 PolarHBondContact O-NE 3.06Å; V330-R335 PolarHBondContact O-NH2 3.49Å
331	T	89.6	Confident	86.8	Confident	86 Å²	86	77.3 Å²	77.3	53%	0.528	39%	0.394	S	S	.	.			trans	-59.9	154	175.8	55.9	0	0	0	0	112.8	E333 R334 R335	T331-E333 PolarHBondContact O-N 3.41Å; T331-R334 PolarHBondContact O-N 3.31Å; T331-R334 WeakPolarHBondContact OG1-CB 3.47Å; T331-R335 PolarHBondContact O-N 3.25Å; T331-R335 VanDerWaalsContact O-N 3.15Å
332	K	88.1	Confident	86.7	Confident	113 Å²	113	77.7 Å²	77.7	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-52	-48	178.1	-176.6	-178.5	175.5	-174.2	0	112.7	N319 R334 R335 I336	N319-K332 HydrophobicContact CB-CG 4.41Å; K332-R334 PolarHBondContact O-N 3.46Å; K332-R335 WeakPolarHBondContact O-CB 3.42Å; K332-R335 PolarHBondContact O-N 2.96Å; K332-I336 HydrophobicContact CG-CD1 3.96Å; K332-I336 WeakPolarHBondContact O-CG1 3.25Å; K332-I336 PolarHBondContact O-N 3.26Å
333	E	89.1	Confident	86.7	Confident	144 Å²	144	78 Å²	78	67%	0.673	40%	0.398	S	S	*	.	H	α-helix	trans	-63	-45.7	-177.7	-68.1	-166.4	167	0	0	113.6	T331 R335 I336 K337	T331-E333 PolarHBondContact O-N 3.41Å; E333-R335 VanDerWaalsContact C-N 3.26Å; E333-R335 PolarHBondContact O-N 3.38Å; E333-I336 PolarHBondContact O-N 3.38Å; E333-I336 VanDerWaalsContact O-N 3.15Å; E333-K337 PolarHBondContact O-N 3.44Å
334	R	88.7	Confident	86.6	Confident	186 Å²	186	76.2 Å²	76.2	70%	0.702	38%	0.383	S	S	*	.	H	α-helix	trans	-60.9	-35.4	175.3	-76.9	-176.5	178.4	-176.3	0.4	112.1	V330 T331 K332 Y338	V330-R334 HydrophobicContact CG1-CB 3.41Å; V330-R334 VanDerWaalsContact CG1-CB 3.41Å; V330-R334 HydrophobicContact CG1-CG 4.44Å; T331-R334 PolarHBondContact O-N 3.31Å; T331-R334 WeakPolarHBondContact OG1-CB 3.47Å; K332-R334 PolarHBondContact O-N 3.46Å; R334-Y338 VanDerWaalsContact O-CB 3.27Å; R334-Y338 WeakPolarHBondContact O-CB 3.42Å; R334-Y338 PolarHBondContact O-N 3.12Å
335	R	88.8	Confident	86.6	Confident	65 Å²	65	76.7 Å²	76.7	25%	0.245	39%	0.386	C	S	.	.	H	α-helix	trans	-65.7	-41.9	173.8	-71.2	-174.7	-128	146.7	-7	112.1	N319 V330 T331 K332 E333 Y338 A339	N319-R335 PolarHBondContact OD1-NH1 3.47Å; V330-R335 HydrophobicContact CB-CG 4.23Å; V330-R335 HydrophobicContact CG1-CG 4.16Å; V330-R335 PolarHBondContact O-NE 3.06Å; V330-R335 PolarHBondContact O-NH2 3.49Å; T331-R335 PolarHBondContact O-N 3.25Å; T331-R335 VanDerWaalsContact O-N 3.15Å; K332-R335 WeakPolarHBondContact O-CB 3.42Å; K332-R335 PolarHBondContact O-N 2.96Å; E333-R335 VanDerWaalsContact C-N 3.26Å; E333-R335 PolarHBondContact O-N 3.38Å; R335-Y338 PolarHBondContact O-N 3.29Å; R335-A339 WeakPolarHBondContact O-CB 3.42Å; R335-A339 PolarHBondContact O-N 2.97Å
336	I	91.5	Very high	86.9	Confident	28 Å²	28	78 Å²	78	14%	0.144	39%	0.39	C	S	.	.	H	α-helix	trans	-63.1	-48.8	176.8	-68.4	170	0	0	0	110.1	N315 L318 N319 K332 E333 Y338 A339 K340	N315-I336 HydrophobicContact CB-CD1 4.45Å; L318-I336 HydrophobicContact CB-CB 4.41Å; L318-I336 HydrophobicContact CB-CG1 4.24Å; L318-I336 HydrophobicContact CB-CG2 4.01Å; L318-I336 HydrophobicContact CD1-CG2 3.85Å; N319-I336 HydrophobicContact CB-CD1 4.46Å; N319-I336 HydrophobicContact CB-CG1 4.05Å; K332-I336 HydrophobicContact CG-CD1 3.96Å; K332-I336 WeakPolarHBondContact O-CG1 3.25Å; K332-I336 PolarHBondContact O-N 3.26Å; E333-I336 PolarHBondContact O-N 3.38Å; E333-I336 VanDerWaalsContact O-N 3.15Å; I336-Y338 VanDerWaalsContact C-N 3.34Å; I336-Y338 PolarHBondContact O-N 3.14Å; I336-A339 PolarHBondContact O-N 3.33Å; I336-K340 WeakPolarHBondContact O-CB 3.27Å; I336-K340 PolarHBondContact O-N 3.18Å
337	K	90.8	Very high	87.5	Confident	153 Å²	153	77 Å²	77	67%	0.665	38%	0.381	S	S	*	.	H	α-helix	trans	-58.3	-45.2	176.4	-72.6	-174	178.4	-177.4	0	112	E333 K340 E341	E333-K337 PolarHBondContact O-N 3.44Å; K337-K340 PolarHBondContact O-N 2.98Å; K337-E341 PolarHBondContact O-N 2.9Å
338	Y	91	Very high	88.2	Confident	79 Å²	79	69.7 Å²	69.7	31%	0.31	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-47.7	175.7	173.1	-103.9	0	0	0	112.4	A326 R334 R335 I336 K340 E341 V342	A326-Y338 HydrophobicContact CB-CD1 4.44Å; R334-Y338 VanDerWaalsContact O-CB 3.27Å; R334-Y338 WeakPolarHBondContact O-CB 3.42Å; R334-Y338 PolarHBondContact O-N 3.12Å; R335-Y338 PolarHBondContact O-N 3.29Å; I336-Y338 VanDerWaalsContact C-N 3.34Å; I336-Y338 PolarHBondContact O-N 3.14Å; Y338-K340 VanDerWaalsContact C-N 3.34Å; Y338-K340 PolarHBondContact O-N 3.16Å; Y338-E341 PolarHBondContact O-N 2.87Å; Y338-V342 HydrophobicContact CD2-CG2 4.44Å; Y338-V342 HydrophobicContact CE1-CG2 4.08Å; Y338-V342 HydrophobicContact CE2-CG2 4.01Å; Y338-V342 WeakPolarHBondContact O-CG2 3.36Å; Y338-V342 PolarHBondContact O-N 2.91Å
339	A	91.1	Very high	89.1	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-40.5	178.6	0	0	0	0	0	111.8	L318 I321 R335 I336 V342 L343	L318-A339 HydrophobicContact CB-CB 4.35Å; L318-A339 HydrophobicContact CD2-CB 4.04Å; L318-A339 VanDerWaalsContact O-CB 3.22Å; L318-A339 WeakPolarHBondContact O-CB 3.34Å; I321-A339 HydrophobicContact CB-CB 4.23Å; I321-A339 HydrophobicContact CG2-CB 4.16Å; R335-A339 WeakPolarHBondContact O-CB 3.42Å; R335-A339 PolarHBondContact O-N 2.97Å; I336-A339 PolarHBondContact O-N 3.33Å; A339-V342 PolarHBondContact O-N 2.95Å; A339-L343 WeakPolarHBondContact O-CG 3.45Å; A339-L343 PolarHBondContact O-N 3.43Å
340	K	91.5	Very high	90	Very high	99 Å²	99	60.6 Å²	60.6	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-60.3	-46.4	174.9	-170.7	176.4	-178.7	-177.3	0	110.9	L318 I336 K337 Y338 V342 L343 Q344	L318-K340 HydrophobicContact CD2-CB 4.45Å; I336-K340 WeakPolarHBondContact O-CB 3.27Å; I336-K340 PolarHBondContact O-N 3.18Å; K337-K340 PolarHBondContact O-N 2.98Å; Y338-K340 VanDerWaalsContact C-N 3.34Å; Y338-K340 PolarHBondContact O-N 3.16Å; K340-V342 VanDerWaalsContact C-N 3.34Å; K340-V342 PolarHBondContact O-N 2.76Å; K340-L343 PolarHBondContact O-N 3.08Å; K340-Q344 VanDerWaalsContact O-CB 3.25Å; K340-Q344 WeakPolarHBondContact O-CB 3.5Å; K340-Q344 PolarHBondContact O-N 2.86Å
341	E	90.7	Very high	90.3	Very high	92 Å²	92	58.9 Å²	58.9	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-39.9	177.4	-173.6	170.5	-157.1	0	0	112.5	K337 Y338 Q344 K345	K337-E341 PolarHBondContact O-N 2.9Å; Y338-E341 PolarHBondContact O-N 2.87Å; E341-Q344 PolarHBondContact O-N 3.16Å; E341-K345 HydrophobicContact CG-CD 3.83Å; E341-K345 HydrophobicContact CG-CG 4.42Å; E341-K345 WeakPolarHBondContact O-CB 3.46Å; E341-K345 PolarHBondContact O-N 3.31Å; E341-K345 IonicContact OE1-NZ 3.06Å; E341-K345 PolarHBondContact OE1-NZ 3.08Å
342	V	90.8	Very high	90.2	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.042	25%	0.246	C	C	.	.	I	π-helix	trans	-63.1	-46.8	175.7	170.9	0	0	0	0	111.3	Y338 A339 K340 Q344 E346 V347	Y338-V342 HydrophobicContact CD2-CG2 4.44Å; Y338-V342 HydrophobicContact CE1-CG2 4.08Å; Y338-V342 HydrophobicContact CE2-CG2 4.01Å; Y338-V342 WeakPolarHBondContact O-CG2 3.36Å; Y338-V342 PolarHBondContact O-N 2.91Å; A339-V342 PolarHBondContact O-N 2.95Å; K340-V342 VanDerWaalsContact C-N 3.34Å; K340-V342 PolarHBondContact O-N 2.76Å; V342-Q344 VanDerWaalsContact C-N 3.29Å; V342-Q344 PolarHBondContact O-N 3.27Å; V342-E346 HydrophobicContact CG1-CB 4.24Å; V342-E346 WeakPolarHBondContact O-CA 3.49Å; V342-E346 VanDerWaalsContact O-CB 3.3Å; V342-E346 WeakPolarHBondContact O-CB 3.15Å; V342-E346 PolarHBondContact O-N 2.97Å; V342-V347 PolarHBondContact O-N 2.85Å
343	L	90.7	Very high	90.2	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.042	24%	0.238	C	C	.	.	I	π-helix	trans	-64.6	-36.2	178.1	-68	175.9	0	0	0	112	L260 V272 A275 L318 I321 A339 K340 V347 K361	L260-L343 HydrophobicContact CD1-CD2 4.17Å; V272-L343 HydrophobicContact CG1-CD2 4.27Å; A275-L343 HydrophobicContact CB-CD1 3.64Å; L318-L343 HydrophobicContact CD2-CD1 3.67Å; I321-L343 HydrophobicContact CD1-CD1 4.18Å; I321-L343 HydrophobicContact CD1-CD2 4.46Å; A339-L343 WeakPolarHBondContact O-CG 3.45Å; A339-L343 PolarHBondContact O-N 3.43Å; K340-L343 PolarHBondContact O-N 3.08Å; L343-V347 HydrophobicContact CD2-CG2 3.98Å; L343-K361 PolarHBondContact O-NZ 3.32Å; L343-K361 VanDerWaalsContact O-NZ 3.15Å
344	Q	89.4	Confident	90.1	Very high	26 Å²	26	48.1 Å²	48.1	12%	0.121	22%	0.222	C	C	.	.	I	π-helix	trans	-77.6	-42.2	-177.7	-170.7	178.2	11.5	0	0	113.1	K340 E341 V342 S354 D355 K361	K340-Q344 VanDerWaalsContact O-CB 3.25Å; K340-Q344 WeakPolarHBondContact O-CB 3.5Å; K340-Q344 PolarHBondContact O-N 2.86Å; E341-Q344 PolarHBondContact O-N 3.16Å; V342-Q344 VanDerWaalsContact C-N 3.29Å; V342-Q344 PolarHBondContact O-N 3.27Å; Q344-S354 PolarHBondContact NE2-O 2.83Å; Q344-D355 VanDerWaalsContact NE2-CA 3.34Å; Q344-D355 VanDerWaalsContact NE2-CG 3.31Å; Q344-D355 PolarHBondContact NE2-OD1 2.88Å; Q344-K361 PolarHBondContact O-NZ 3Å
345	K	88.1	Confident	89.5	Confident	68 Å²	68	43.8 Å²	43.8	30%	0.296	21%	0.213	S	C	.	.	I	π-helix	trans	-105.5	-29.4	-171.2	-66.8	-177.6	-172.7	169.8	0	114.4	R230 E341 P349	R230-K345 PolarHBondContact NH1-O 3.19Å; E341-K345 HydrophobicContact CG-CD 3.83Å; E341-K345 HydrophobicContact CG-CG 4.42Å; E341-K345 WeakPolarHBondContact O-CB 3.46Å; E341-K345 PolarHBondContact O-N 3.31Å; E341-K345 IonicContact OE1-NZ 3.06Å; E341-K345 PolarHBondContact OE1-NZ 3.08Å; K345-P349 WeakPolarHBondContact O-CG 3.48Å
346	E	89.2	Confident	89.3	Confident	39 Å²	39	47.9 Å²	47.9	18%	0.182	23%	0.233	C	C	.	.	I	π-helix	trans	-104.9	-31.2	-172.7	-55.5	-54.8	137.6	0	0	113.2	R230 S233 P261 Y262 V342	R230-E346 IonicContact NH1-OE1 3.76Å; R230-E346 PolarHBondContact NH1-OE1 3.02Å; S233-E346 WeakPolarHBondContact CB-O 3.12Å; S233-E346 PolarHBondContact OG-O 3.13Å; P261-E346 HydrophobicContact CG-CB 3.96Å; P261-E346 WeakPolarHBondContact CG-O 3.1Å; Y262-E346 HydrophobicContact CD2-CB 4.29Å; Y262-E346 HydrophobicContact CD2-CG 4Å; Y262-E346 HydrophobicContact CE2-CB 4.45Å; Y262-E346 HydrophobicContact CE2-CG 4.05Å; Y262-E346 VanDerWaalsContact CE2-OE2 3.31Å; Y262-E346 WeakPolarHBondContact CE2-OE2 2.8Å; V342-E346 HydrophobicContact CG1-CB 4.24Å; V342-E346 WeakPolarHBondContact O-CA 3.49Å; V342-E346 VanDerWaalsContact O-CB 3.3Å; V342-E346 WeakPolarHBondContact O-CB 3.15Å; V342-E346 PolarHBondContact O-N 2.97Å
347	V	90.6	Very high	89	Confident	5 Å²	5	47 Å²	47	3%	0.03	23%	0.229	C	C	.	.	S	Bend	trans	-81.8	122.3	174.3	177.8	0	0	0	0	109.8	I235 L260 V342 L343 K361	I235-V347 HydrophobicContact CD1-CG1 4.25Å; L260-V347 HydrophobicContact CD2-CG2 3.98Å; V342-V347 PolarHBondContact O-N 2.85Å; L343-V347 HydrophobicContact CD2-CG2 3.98Å; V347-K361 PolarHBondContact O-NZ 3.11Å
348	L	91.9	Very high	88.8	Confident	2 Å²	2	42 Å²	42	1%	0.01	21%	0.208	C	C	.	.	S	Bend	trans	46.2	59.7	177	-56.5	168.5	0	0	0	114	I235 H350 V351 F364 L365	I235-L348 HydrophobicContact CG2-CD2 3.91Å; L348-H350 PolarHBondContact O-N 3.06Å; L348-H350 VanDerWaalsContact O-N 3.15Å; L348-V351 HydrophobicContact CB-CG2 4.22Å; L348-V351 PolarHBondContact O-N 2.99Å; L348-F364 HydrophobicContact CD1-CB 4.47Å; L348-F364 HydrophobicContact CD1-CD1 3.75Å; L348-F364 HydrophobicContact CD2-CD1 3.81Å; L348-F364 HydrophobicContact CD2-CE1 3.82Å; L348-F364 HydrophobicContact CG-CD1 4.37Å; L348-L365 HydrophobicContact CD1-CB 4.47Å
349	P	91.4	Very high	88.7	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.026	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.1	-174.5	-23.4	35.4	0	0	0	114.4	S223 L225 S233 K345 V351 G352 V353	S223-P349 VanDerWaalsContact CB-CD 3.49Å; L225-P349 HydrophobicContact CB-CB 4.47Å; S233-P349 WeakPolarHBondContact OG-CD 3.17Å; S233-P349 WeakPolarHBondContact OG-CG 3.41Å; K345-P349 WeakPolarHBondContact O-CG 3.48Å; P349-V351 VanDerWaalsContact C-N 3.27Å; P349-V351 PolarHBondContact O-N 3.22Å; P349-G352 PolarHBondContact O-N 2.76Å; P349-V353 HydrophobicContact CB-CG1 4.1Å
350	H	91.7	Very high	88.7	Confident	18 Å²	18	43.9 Å²	43.9	8%	0.083	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.7	179.2	70.8	-64.7	0	0	0	114.4	N203 S223 L348 F364	N203-H350 VanDerWaalsContact OD1-CB 3.32Å; N203-H350 WeakPolarHBondContact OD1-CB 3.49Å; S223-H350 VanDerWaalsContact CB-ND1 3.31Å; S223-H350 WeakPolarHBondContact CB-ND1 3.2Å; S223-H350 PolarHBondContact OG-CE1 3.21Å; S223-H350 PolarHBondContact OG-ND1 2.55Å; L348-H350 PolarHBondContact O-N 3.06Å; L348-H350 VanDerWaalsContact O-N 3.15Å; H350-F364 AromaticContact CE1-CE1 3.88Å; H350-F364 AromaticContact NE2-CE1 3.85Å; H350-F364 AromaticContact NE2-CZ 3.59Å
351	V	91.8	Very high	88.8	Confident	15 Å²	15	39.4 Å²	39.4	9%	0.091	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-30.9	176.6	-178.8	0	0	0	0	111	L348 P349 K360 K361 F364	L348-V351 HydrophobicContact CB-CG2 4.22Å; L348-V351 PolarHBondContact O-N 2.99Å; P349-V351 VanDerWaalsContact C-N 3.27Å; P349-V351 PolarHBondContact O-N 3.22Å; V351-K360 HydrophobicContact CG1-CB 3.64Å; V351-K361 HydrophobicContact CB-CG 4.2Å; V351-K361 HydrophobicContact CG1-CG 4.09Å; V351-F364 HydrophobicContact CG2-CB 4.2Å; V351-F364 HydrophobicContact CG2-CD1 4.41Å; V351-F364 HydrophobicContact CG2-CD2 4.43Å; V351-F364 HydrophobicContact CG2-CG 4.08Å
352	G	87.9	Confident	88.9	Confident	15 Å²	15	35 Å²	35	16%	0.155	18%	0.182	C	C	.	.			trans	160.6	152.2	179.1	0	0	0	0	0	112.9	P349 K361	P349-G352 PolarHBondContact O-N 2.76Å; G352-K361 WeakPolarHBondContact O-CE 3.42Å; G352-K361 PolarHBondContact O-NZ 3.19Å
353	V	88.1	Confident	89	Confident	54 Å²	54	35.5 Å²	35.5	33%	0.327	18%	0.183	S	C	.	.			trans	-125.9	-4.5	179.6	-66	0	0	0	0	113.9	P349	P349-V353 HydrophobicContact CB-CG1 4.1Å
354	S	86.8	Confident	89.2	Confident	47 Å²	47	35.3 Å²	35.3	33%	0.329	18%	0.182	S	C	.	.	S	Bend	trans	-74.3	167.6	176.7	50.5	0	0	0	0	111.6	Q344 F356 C357	Q344-S354 PolarHBondContact NE2-O 2.83Å; S354-F356 WeakPolarHBondContact OG-CE2 3.38Å; S354-C357 PolarHBondContact OG-SG 2.86Å
355	D	76.5	Confident	89.4	Confident	95 Å²	95	34.2 Å²	34.2	51%	0.508	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	163.7	156	-62.5	-54.5	0	0	0	107.6	Q344 C357	Q344-D355 VanDerWaalsContact NE2-CA 3.34Å; Q344-D355 VanDerWaalsContact NE2-CG 3.31Å; Q344-D355 PolarHBondContact NE2-OD1 2.88Å; D355-C357 VanDerWaalsContact C-N 3.28Å; D355-C357 PolarHBondContact O-N 2.77Å; D355-C357 VanDerWaalsContact O-N 3.11Å
356	F	83.7	Confident	89.7	Confident	151 Å²	151	31 Å²	31	66%	0.662	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	-7.1	179.4	63	-98.3	0	0	0	118.6	S354 E358	S354-F356 WeakPolarHBondContact OG-CE2 3.38Å; F356-E358 VanDerWaalsContact C-N 3.32Å; F356-E358 VanDerWaalsContact C-OE2 3.29Å; F356-E358 WeakPolarHBondContact CA-OE2 3.3Å; F356-E358 PolarHBondContact N-OE2 3.09Å; F356-E358 PolarHBondContact O-N 2.78Å
357	C	85.8	Confident	90	Very high	10 Å²	10	29.7 Å²	29.7	7%	0.068	16%	0.157	C	C	.	.			trans	-87.2	8.3	175.1	-74.7	0	0	0	0	114.5	S354 D355 T359 K361	S354-C357 PolarHBondContact OG-SG 2.86Å; D355-C357 VanDerWaalsContact C-N 3.28Å; D355-C357 PolarHBondContact O-N 2.77Å; D355-C357 VanDerWaalsContact O-N 3.11Å; C357-T359 VanDerWaalsContact C-N 3.32Å; C357-T359 PolarHBondContact O-N 2.99Å; C357-K361 WeakPolarHBondContact O-CG 3.41Å; C357-K361 PolarHBondContact O-N 3.15Å
358	E	86.9	Confident	90.2	Very high	47 Å²	47	29.5 Å²	29.5	22%	0.22	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-33.2	-177	-66.2	90.7	164.4	0	0	113.4	L276 F356 K361 A362	L276-E358 HydrophobicContact CD2-CB 4.45Å; F356-E358 VanDerWaalsContact C-N 3.32Å; F356-E358 VanDerWaalsContact C-OE2 3.29Å; F356-E358 WeakPolarHBondContact CA-OE2 3.3Å; F356-E358 PolarHBondContact N-OE2 3.09Å; F356-E358 PolarHBondContact O-N 2.78Å; E358-K361 PolarHBondContact O-N 3.49Å; E358-A362 PolarHBondContact O-N 2.81Å
359	T	89.2	Confident	90.4	Very high	52 Å²	52	29.4 Å²	29.4	32%	0.319	16%	0.155	S	C	.	.	H	α-helix	trans	-63.3	-52.1	177.3	50.5	0	0	0	0	111.3	F278 C357 K361 A362 Y363	F278-T359 HydrophobicContact CZ-CG2 4.15Å; C357-T359 VanDerWaalsContact C-N 3.32Å; C357-T359 PolarHBondContact O-N 2.99Å; T359-K361 VanDerWaalsContact C-N 3.26Å; T359-K361 PolarHBondContact O-N 3.48Å; T359-A362 WeakPolarHBondContact O-CB 3.3Å; T359-A362 PolarHBondContact O-N 2.83Å; T359-Y363 WeakPolarHBondContact O-CD2 3.45Å; T359-Y363 PolarHBondContact O-N 2.85Å
360	K	90.7	Very high	90.6	Very high	68 Å²	68	30.9 Å²	30.9	30%	0.296	16%	0.161	S	C	.	.	H	α-helix	trans	-57.7	-40.1	176.3	-58.2	-172.8	-158.3	-171.6	0	111.8	V351 Y363 F364 E554	V351-K360 HydrophobicContact CG1-CB 3.64Å; K360-Y363 PolarHBondContact O-N 3Å; K360-F364 PolarHBondContact O-N 3.12Å; K360-E554 WeakPolarHBondContact CE-OE1 3.44Å; K360-E554 HydrophobicContact CG-CG 4.36Å; K360-E554 IonicContact NZ-OE1 3.99Å
361	K	92.7	Very high	90.7	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.022	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-38.9	175.9	-72.2	-174.5	-174.4	-162.6	0	112.6	L343 Q344 V347 V351 G352 C357 E358 T359 F364 L365	L343-K361 PolarHBondContact O-NZ 3.32Å; L343-K361 VanDerWaalsContact O-NZ 3.15Å; Q344-K361 PolarHBondContact O-NZ 3Å; V347-K361 PolarHBondContact O-NZ 3.11Å; V351-K361 HydrophobicContact CB-CG 4.2Å; V351-K361 HydrophobicContact CG1-CG 4.09Å; G352-K361 WeakPolarHBondContact O-CE 3.42Å; G352-K361 PolarHBondContact O-NZ 3.19Å; C357-K361 WeakPolarHBondContact O-CG 3.41Å; C357-K361 PolarHBondContact O-N 3.15Å; E358-K361 PolarHBondContact O-N 3.49Å; T359-K361 VanDerWaalsContact C-N 3.26Å; T359-K361 PolarHBondContact O-N 3.48Å; K361-F364 PolarHBondContact O-N 2.99Å; K361-L365 VanDerWaalsContact O-CB 3.26Å; K361-L365 WeakPolarHBondContact O-CB 3.44Å; K361-L365 PolarHBondContact O-N 3.2Å
362	A	92.6	Very high	90.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-43	176.2	0	0	0	0	0	111.4	F273 L276 F278 E358 T359 L365 G366	F273-A362 HydrophobicContact CD1-CB 4.21Å; F273-A362 HydrophobicContact CE1-CB 4.08Å; F273-A362 WeakPolarHBondContact CE1-O 3.35Å; L276-A362 HydrophobicContact CD1-CB 4.11Å; F278-A362 HydrophobicContact CD2-CB 3.82Å; F278-A362 HydrophobicContact CE2-CB 3.25Å; F278-A362 HydrophobicContact CZ-CB 3.97Å; E358-A362 PolarHBondContact O-N 2.81Å; T359-A362 WeakPolarHBondContact O-CB 3.3Å; T359-A362 PolarHBondContact O-N 2.83Å; A362-L365 PolarHBondContact O-N 3.35Å; A362-G366 PolarHBondContact O-N 2.81Å
363	Y	92.6	Very high	91.2	Very high	17 Å²	17	29.1 Å²	29.1	7%	0.067	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-47.4	173.3	-86	-67.3	0	0	0	112.8	H287 T359 K360 L365 G366 Y367 L553 I561 W573	H287-Y363 AromaticContact CD2-CD1 3.69Å; H287-Y363 AromaticContact CD2-CD2 3.97Å; H287-Y363 AromaticContact CD2-CE1 3.81Å; H287-Y363 AromaticContact CD2-CG 3.77Å; H287-Y363 AromaticContact NE2-CE2 3.91Å; H287-Y363 AromaticContact NE2-CZ 3.94Å; T359-Y363 WeakPolarHBondContact O-CD2 3.45Å; T359-Y363 PolarHBondContact O-N 2.85Å; K360-Y363 PolarHBondContact O-N 3Å; Y363-L365 PolarHBondContact O-N 3.05Å; Y363-G366 PolarHBondContact O-N 3.12Å; Y363-Y367 PolarHBondContact O-N 2.75Å; Y363-L553 VanDerWaalsContact CB-CD2 3.44Å; Y363-L553 HydrophobicContact CD1-CD2 4.42Å; Y363-L553 HydrophobicContact CD2-CD2 3.61Å; Y363-L553 HydrophobicContact CD2-CG 3.95Å; Y363-L553 HydrophobicContact CE2-CD2 4.44Å; Y363-L553 HydrophobicContact CE2-CG 4.3Å; Y363-L553 HydrophobicContact CG-CD2 3.59Å; Y363-L553 HydrophobicContact CG-CG 4.12Å; Y363-I561 HydrophobicContact CE1-CD1 3.86Å; Y363-W573 AromaticContact CD1-CH2 3.99Å; Y363-W573 HydrophobicContact CD1-CH2 3.99Å; Y363-W573 AromaticContact CD1-CZ3 3.76Å; Y363-W573 HydrophobicContact CD1-CZ3 3.76Å; Y363-W573 HydrophobicContact CG-CZ3 4.05Å
364	F	94.9	Very high	91.5	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-37.8	178.7	-168.8	-91.4	0	0	0	112.6	V205 L348 H350 V351 K360 K361 G366 Y367 M368 F568 G571 W573	V205-F364 HydrophobicContact CG2-CE1 4.04Å; V205-F364 HydrophobicContact CG2-CZ 3.86Å; L348-F364 HydrophobicContact CD1-CB 4.47Å; L348-F364 HydrophobicContact CD1-CD1 3.75Å; L348-F364 HydrophobicContact CD2-CD1 3.81Å; L348-F364 HydrophobicContact CD2-CE1 3.82Å; L348-F364 HydrophobicContact CG-CD1 4.37Å; H350-F364 AromaticContact CE1-CE1 3.88Å; H350-F364 AromaticContact NE2-CE1 3.85Å; H350-F364 AromaticContact NE2-CZ 3.59Å; V351-F364 HydrophobicContact CG2-CB 4.2Å; V351-F364 HydrophobicContact CG2-CD1 4.41Å; V351-F364 HydrophobicContact CG2-CD2 4.43Å; V351-F364 HydrophobicContact CG2-CG 4.08Å; K360-F364 PolarHBondContact O-N 3.12Å; K361-F364 PolarHBondContact O-N 2.99Å; F364-G366 VanDerWaalsContact C-N 3.32Å; F364-Y367 WeakPolarHBondContact O-CB 3.12Å; F364-Y367 PolarHBondContact O-N 2.89Å; F364-M368 PolarHBondContact O-N 2.91Å; F364-F568 HydrophobicContact CE2-CE1 4.21Å; F364-G571 WeakPolarHBondContact CE2-O 3.5Å; F364-W573 HydrophobicContact CD2-CB 4.3Å
365	L	94.9	Very high	91.8	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-65.3	-39.3	173.9	-172.8	66.1	0	0	0	111.1	I235 V237 I269 V272 F273 L276 L348 K361 A362 Y363 M368 V369	I235-L365 HydrophobicContact CD1-CD1 3.98Å; V237-L365 HydrophobicContact CG2-CD1 4.38Å; I269-L365 HydrophobicContact CD1-CD1 3.93Å; I269-L365 HydrophobicContact CD1-CD2 3.86Å; I269-L365 HydrophobicContact CD1-CG 3.94Å; V272-L365 HydrophobicContact CB-CD2 4.35Å; V272-L365 HydrophobicContact CG1-CD2 3.8Å; F273-L365 HydrophobicContact CD2-CD2 4.49Å; F273-L365 HydrophobicContact CE2-CD2 4.15Å; F273-L365 HydrophobicContact CE2-CG 4.34Å; F273-L365 HydrophobicContact CZ-CB 4.29Å; F273-L365 HydrophobicContact CZ-CD2 4.22Å; F273-L365 HydrophobicContact CZ-CG 4.19Å; L276-L365 HydrophobicContact CD1-CD2 4.27Å; L348-L365 HydrophobicContact CD1-CB 4.47Å; K361-L365 VanDerWaalsContact O-CB 3.26Å; K361-L365 WeakPolarHBondContact O-CB 3.44Å; K361-L365 PolarHBondContact O-N 3.2Å; A362-L365 PolarHBondContact O-N 3.35Å; Y363-L365 PolarHBondContact O-N 3.05Å; L365-M368 WeakPolarHBondContact O-CB 3.21Å; L365-M368 PolarHBondContact O-N 2.91Å; L365-V369 WeakPolarHBondContact O-CG2 3.4Å; L365-V369 PolarHBondContact O-N 3.02Å
366	G	94.3	Very high	92.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60	-48.4	172.9	0	0	0	0	0	112	H287 A362 Y363 F364 M368 V369 H370	H287-G366 CarbonylContact O-C 3.59Å; H287-G366 VanDerWaalsContact O-CA 3.26Å; H287-G366 WeakPolarHBondContact O-CA 3.49Å; A362-G366 PolarHBondContact O-N 2.81Å; Y363-G366 PolarHBondContact O-N 3.12Å; F364-G366 VanDerWaalsContact C-N 3.32Å; G366-M368 VanDerWaalsContact C-N 3.31Å; G366-M368 PolarHBondContact O-N 3.37Å; G366-V369 PolarHBondContact O-N 3.18Å; G366-V369 VanDerWaalsContact O-N 3.12Å; G366-H370 WeakPolarHBondContact O-CB 3.38Å; G366-H370 PolarHBondContact O-N 2.83Å
367	Y	94.6	Very high	93	Very high	13 Å²	13	16.5 Å²	16.5	5%	0.051	9%	0.085	C	C	.	.	H	α-helix	trans	-56.2	-42.3	171.8	173.9	-104.2	0	0	0	112.4	V205 Y363 F364 V369 H370 R371 F568 E611	V205-Y367 HydrophobicContact CG2-CD1 4.47Å; V205-Y367 HydrophobicContact CG2-CE1 4.34Å; Y363-Y367 PolarHBondContact O-N 2.75Å; F364-Y367 WeakPolarHBondContact O-CB 3.12Å; F364-Y367 PolarHBondContact O-N 2.89Å; Y367-V369 VanDerWaalsContact C-N 3.34Å; Y367-V369 PolarHBondContact O-N 3.35Å; Y367-H370 WeakPolarHBondContact O-CB 3.27Å; Y367-H370 PolarHBondContact O-N 3.36Å; Y367-R371 WeakPolarHBondContact O-CB 3.49Å; Y367-R371 PolarHBondContact O-N 3.09Å; Y367-F568 HydrophobicContact CD1-CE1 4.29Å; Y367-F568 HydrophobicContact CD1-CZ 4.18Å; Y367-F568 HydrophobicContact CD2-CZ 4.28Å; Y367-F568 HydrophobicContact CE1-CE1 4.08Å; Y367-F568 AromaticContact CE1-CZ 3.84Å; Y367-F568 HydrophobicContact CE1-CZ 3.84Å; Y367-F568 AromaticContact CE2-CZ 3.95Å; Y367-F568 HydrophobicContact CE2-CZ 3.95Å; Y367-F568 HydrophobicContact CG-CZ 4.39Å; Y367-F568 AromaticContact CZ-CZ 3.72Å; Y367-E611 WeakPolarHBondContact CE2-OE1 3.28Å; Y367-E611 VanDerWaalsContact CZ-OE1 3.3Å; Y367-E611 PolarHBondContact OH-OE1 3.43Å; Y367-E611 PolarHBondContact OH-OE2 3.47Å
368	M	95.8	Very high	93.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.7	-37.6	177.4	-172.2	176.4	178.4	0	0	112.5	V205 G219 C221 I235 V237 F364 L365 G366 L372	V205-M368 HydrophobicContact CG1-CB 4.5Å; V205-M368 HydrophobicContact CG1-CG 3.81Å; V205-M368 HydrophobicContact CG2-CB 4.33Å; V205-M368 HydrophobicContact CG2-CG 4.18Å; G219-M368 VanDerWaalsContact C-CE 3.42Å; G219-M368 WeakPolarHBondContact O-CE 3.17Å; C221-M368 HydrophobicContact CB-CE 3.95Å; C221-M368 HydrophobicContact CB-SD 4.01Å; I235-M368 HydrophobicContact CG2-CE 4.2Å; I235-M368 HydrophobicContact CG2-SD 4.08Å; V237-M368 HydrophobicContact CB-CE 4.12Å; V237-M368 HydrophobicContact CG2-CE 3.72Å; V237-M368 HydrophobicContact CG2-CG 4.09Å; V237-M368 HydrophobicContact CG2-SD 3.72Å; F364-M368 PolarHBondContact O-N 2.91Å; L365-M368 WeakPolarHBondContact O-CB 3.21Å; L365-M368 PolarHBondContact O-N 2.91Å; G366-M368 VanDerWaalsContact C-N 3.31Å; G366-M368 PolarHBondContact O-N 3.37Å; M368-L372 PolarHBondContact O-N 2.81Å
369	V	95.8	Very high	93.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.1	-43.7	174	178.3	0	0	0	0	110.7	V237 I256 I269 I288 L365 G366 Y367 R371 L372 L373	V237-V369 HydrophobicContact CG1-CG2 4.14Å; I256-V369 HydrophobicContact CD1-CG1 4.22Å; I269-V369 HydrophobicContact CD1-CG2 4.06Å; I269-V369 HydrophobicContact CG1-CG2 3.68Å; I288-V369 HydrophobicContact CD1-CG1 4.36Å; I288-V369 HydrophobicContact CG1-CB 4.44Å; I288-V369 HydrophobicContact CG1-CG1 4.45Å; I288-V369 HydrophobicContact CG2-CB 4.08Å; I288-V369 HydrophobicContact CG2-CG1 3.66Å; L365-V369 WeakPolarHBondContact O-CG2 3.4Å; L365-V369 PolarHBondContact O-N 3.02Å; G366-V369 PolarHBondContact O-N 3.18Å; G366-V369 VanDerWaalsContact O-N 3.12Å; Y367-V369 VanDerWaalsContact C-N 3.34Å; Y367-V369 PolarHBondContact O-N 3.35Å; V369-R371 VanDerWaalsContact C-N 3.3Å; V369-R371 PolarHBondContact O-N 3.15Å; V369-L372 WeakPolarHBondContact O-CB 3.46Å; V369-L372 PolarHBondContact O-N 2.92Å; V369-L372 VanDerWaalsContact O-N 3.12Å; V369-L373 HydrophobicContact CG1-CD1 4.12Å; V369-L373 HydrophobicContact CG1-CG 4.43Å; V369-L373 WeakPolarHBondContact O-CG 3.41Å; V369-L373 PolarHBondContact O-N 3.11Å
370	H	94.6	Very high	93.8	Very high	36 Å²	36	19.9 Å²	19.9	17%	0.167	11%	0.107	C	C	.	.	H	α-helix	trans	-53.8	-49	175.4	-171.6	78.3	0	0	0	111	I288 G366 Y367 L372 L373 L374	I288-H370 WeakPolarHBondContact O-CB 3.49Å; I288-H370 PolarHBondContact O-ND1 3.43Å; G366-H370 WeakPolarHBondContact O-CB 3.38Å; G366-H370 PolarHBondContact O-N 2.83Å; Y367-H370 WeakPolarHBondContact O-CB 3.27Å; Y367-H370 PolarHBondContact O-N 3.36Å; H370-L372 VanDerWaalsContact C-N 3.3Å; H370-L372 PolarHBondContact O-N 3.28Å; H370-L373 WeakPolarHBondContact O-CB 3.48Å; H370-L373 PolarHBondContact O-N 3.03Å; H370-L374 WeakPolarHBondContact O-CG 3.29Å; H370-L374 PolarHBondContact O-N 3.17Å
371	R	94.9	Very high	94	Very high	10 Å²	10	24.1 Å²	24.1	4%	0.038	13%	0.128	C	C	.	.	H	α-helix	trans	-62.4	-35.7	179.1	-155.5	178.4	177.3	-97.3	-17.6	112.8	V205 V207 Y367 V369 A375 R380 D383	V205-R371 VanDerWaalsContact C-NH1 3.32Å; V205-R371 PolarHBondContact O-NH1 3.47Å; V207-R371 HydrophobicContact CG2-CG 4.24Å; Y367-R371 WeakPolarHBondContact O-CB 3.49Å; Y367-R371 PolarHBondContact O-N 3.09Å; V369-R371 VanDerWaalsContact C-N 3.3Å; V369-R371 PolarHBondContact O-N 3.15Å; R371-A375 PolarHBondContact O-N 2.85Å; R371-R380 VanDerWaalsContact NE-NH1 3.16Å; R371-R380 VanDerWaalsContact NH2-CZ 3.3Å; R371-D383 IonicContact CZ-OD1 3.16Å; R371-D383 IonicContact CZ-OD2 3.95Å; R371-D383 VanDerWaalsContact CZ-OD2 3.23Å; R371-D383 IonicContact NH1-OD1 2.57Å; R371-D383 IonicContact NH1-OD2 2.92Å; R371-D383 PolarHBondContact NH1-OD2 3.46Å; R371-D383 IonicContact NH2-OD1 2.73Å; R371-D383 PolarHBondContact NH2-OD1 2.89Å; R371-D383 IonicContact NH2-OD2 3.25Å; R371-D383 PolarHBondContact NH2-OD2 3.33Å
372	L	95.5	Very high	94.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.6	-39.8	173.2	-177.4	68	0	0	0	112	V207 V237 M239 I256 M368 V369 H370 A375 A376	V207-L372 HydrophobicContact CG1-CD1 3.86Å; V237-L372 HydrophobicContact CB-CD2 4.45Å; V237-L372 HydrophobicContact CG1-CD2 3.77Å; M239-L372 HydrophobicContact CB-CD2 4.32Å; I256-L372 HydrophobicContact CG2-CD2 4.27Å; M368-L372 PolarHBondContact O-N 2.81Å; V369-L372 WeakPolarHBondContact O-CB 3.46Å; V369-L372 PolarHBondContact O-N 2.92Å; V369-L372 VanDerWaalsContact O-N 3.12Å; H370-L372 VanDerWaalsContact C-N 3.3Å; H370-L372 PolarHBondContact O-N 3.28Å; L372-A375 PolarHBondContact O-N 3.22Å; L372-A376 WeakPolarHBondContact O-CB 3.5Å; L372-A376 PolarHBondContact O-N 2.89Å
373	L	94.2	Very high	94.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.2	-43.3	178.1	-68.8	169.9	0	0	0	111.5	M239 I256 I288 M297 M300 V369 H370 A375 A376 L377	M239-L373 HydrophobicContact CE-CD2 4.08Å; I256-L373 HydrophobicContact CD1-CD2 3.94Å; I288-L373 HydrophobicContact CG2-CD1 3.94Å; M297-L373 HydrophobicContact CG-CB 4.19Å; M297-L373 HydrophobicContact CG-CD1 3.72Å; M297-L373 HydrophobicContact CG-CG 4.46Å; M297-L373 HydrophobicContact SD-CB 4.3Å; M297-L373 HydrophobicContact SD-CD1 4.05Å; M300-L373 HydrophobicContact CB-CD2 4.27Å; M300-L373 HydrophobicContact CG-CD2 3.79Å; M300-L373 HydrophobicContact SD-CD2 3.5Å; M300-L373 VanDerWaalsContact SD-CD2 3.5Å; V369-L373 HydrophobicContact CG1-CD1 4.12Å; V369-L373 HydrophobicContact CG1-CG 4.43Å; V369-L373 WeakPolarHBondContact O-CG 3.41Å; V369-L373 PolarHBondContact O-N 3.11Å; H370-L373 WeakPolarHBondContact O-CB 3.48Å; H370-L373 PolarHBondContact O-N 3.03Å; L373-A375 VanDerWaalsContact C-N 3.27Å; L373-A375 PolarHBondContact O-N 3.48Å; L373-A376 PolarHBondContact O-N 3.15Å; L373-A376 VanDerWaalsContact O-N 3.09Å; L373-L377 WeakPolarHBondContact O-CB 3.38Å; L373-L377 WeakPolarHBondContact O-CG 3.2Å; L373-L377 PolarHBondContact O-N 2.91Å
374	L	94.5	Very high	94.4	Very high	19 Å²	19	31.9 Å²	31.9	10%	0.099	17%	0.171	C	C	.	.	H	α-helix	trans	-56	-42.9	175.5	-69.2	178	0	0	0	112.1	M297 H370 G378 R379 R380	M297-L374 HydrophobicContact CE-CD2 3.92Å; H370-L374 WeakPolarHBondContact O-CG 3.29Å; H370-L374 PolarHBondContact O-N 3.17Å; L374-G378 PolarHBondContact O-N 3.45Å; L374-G378 VanDerWaalsContact O-N 3.15Å; L374-R379 HydrophobicContact CD2-CB 4.07Å; L374-R379 PolarHBondContact O-N 3.24Å; L374-R380 HydrophobicContact CB-CB 4.03Å; L374-R380 PolarHBondContact O-N 3.28Å
375	A	93.7	Very high	94.1	Very high	7 Å²	7	37.4 Å²	37.4	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-69.6	-38.9	175.9	0	0	0	0	0	112.6	V207 R371 L372 L373 L377 G378 L382	V207-A375 HydrophobicContact CB-CB 4.33Å; V207-A375 HydrophobicContact CG1-CB 3.59Å; R371-A375 PolarHBondContact O-N 2.85Å; L372-A375 PolarHBondContact O-N 3.22Å; L373-A375 VanDerWaalsContact C-N 3.27Å; L373-A375 PolarHBondContact O-N 3.48Å; A375-L377 VanDerWaalsContact C-N 3.34Å; A375-L377 PolarHBondContact O-N 3.03Å; A375-G378 PolarHBondContact O-N 2.7Å; A375-G378 VanDerWaalsContact O-N 3.17Å; A375-L382 HydrophobicContact CB-CD2 4.06Å
376	A	92.3	Very high	94	Very high	19 Å²	19	38.8 Å²	38.8	16%	0.157	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-34.2	179.6	0	0	0	0	0	113	Y217 M239 M300 L372 L373 G378	Y217-A376 HydrophobicContact CD2-CB 3.92Å; Y217-A376 HydrophobicContact CE2-CB 3.96Å; M239-A376 HydrophobicContact CE-CB 3.53Å; M239-A376 HydrophobicContact SD-CB 3.79Å; M300-A376 HydrophobicContact CE-CB 4.01Å; M300-A376 HydrophobicContact SD-CB 3.91Å; L372-A376 WeakPolarHBondContact O-CB 3.5Å; L372-A376 PolarHBondContact O-N 2.89Å; L373-A376 PolarHBondContact O-N 3.15Å; L373-A376 VanDerWaalsContact O-N 3.09Å; A376-G378 VanDerWaalsContact C-N 3.31Å
377	L	93.3	Very high	94	Very high	37 Å²	37	39.7 Å²	39.7	19%	0.194	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-8	173.5	-65.3	176.5	0	0	0	113	E296 M297 M300 L373 A375 R379	E296-L377 HydrophobicContact CG-CD1 4.34Å; E296-L377 HydrophobicContact CG-CD2 3.81Å; M297-L377 HydrophobicContact CB-CD1 4.28Å; M297-L377 HydrophobicContact CE-CD1 4.39Å; M300-L377 HydrophobicContact CE-CD2 3.5Å; M300-L377 VanDerWaalsContact CE-CD2 3.5Å; M300-L377 HydrophobicContact CE-CG 4.11Å; M300-L377 HydrophobicContact SD-CD2 3.96Å; M300-L377 HydrophobicContact SD-CG 4.07Å; L373-L377 WeakPolarHBondContact O-CB 3.38Å; L373-L377 WeakPolarHBondContact O-CG 3.2Å; L373-L377 PolarHBondContact O-N 2.91Å; A375-L377 VanDerWaalsContact C-N 3.34Å; A375-L377 PolarHBondContact O-N 3.03Å; L377-R379 VanDerWaalsContact C-N 3.3Å; L377-R379 HydrophobicContact CB-CG 4.12Å; L377-R379 PolarHBondContact O-N 3.31Å
378	G	92.8	Very high	94	Very high	61 Å²	61	39.3 Å²	39.3	63%	0.629	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	17.4	-178.7	0	0	0	0	0	114.6	L374 A375 A376	L374-G378 PolarHBondContact O-N 3.45Å; L374-G378 VanDerWaalsContact O-N 3.15Å; A375-G378 PolarHBondContact O-N 2.7Å; A375-G378 VanDerWaalsContact O-N 3.17Å; A376-G378 VanDerWaalsContact C-N 3.31Å
379	R	93.2	Very high	94	Very high	88 Å²	88	39.5 Å²	39.5	33%	0.332	20%	0.203	S	C	.	.	S	Bend	trans	-73.9	-31.4	175.8	-62.7	-176.1	-175.8	177.6	4.7	112.2	D294 E296 L374 L377 R608	D294-R379 IonicContact OD1-CZ 3.74Å; D294-R379 IonicContact OD1-NH2 2.73Å; D294-R379 PolarHBondContact OD1-NH2 2.94Å; D294-R379 IonicContact OD2-CZ 3.57Å; D294-R379 IonicContact OD2-NH1 3.91Å; D294-R379 PolarHBondContact OD2-NH1 3.2Å; D294-R379 IonicContact OD2-NH2 3.46Å; D294-R379 PolarHBondContact OD2-NH2 2.83Å; E296-R379 IonicContact OE2-CZ 2.76Å; E296-R379 IonicContact OE2-NE 2.88Å; E296-R379 IonicContact OE2-NH2 3.3Å; E296-R379 PolarHBondContact OE2-NH2 2.89Å; L374-R379 HydrophobicContact CD2-CB 4.07Å; L374-R379 PolarHBondContact O-N 3.24Å; L377-R379 VanDerWaalsContact C-N 3.3Å; L377-R379 HydrophobicContact CB-CG 4.12Å; L377-R379 PolarHBondContact O-N 3.31Å; R379-R608 PolarHBondContact O-NH2 2.79Å; R379-R608 VanDerWaalsContact O-NH2 3.16Å
380	R	92.9	Very high	93.9	Very high	31 Å²	31	40.4 Å²	40.4	12%	0.117	21%	0.208	C	C	.	.	S	Bend	trans	-124.7	145	175.4	-170.7	174.7	173.9	170.8	3.3	110.3	R371 L374 E609	R371-R380 VanDerWaalsContact NE-NH1 3.16Å; R371-R380 VanDerWaalsContact NH2-CZ 3.3Å; L374-R380 HydrophobicContact CB-CB 4.03Å; L374-R380 PolarHBondContact O-N 3.28Å; R380-E609 IonicContact NH1-OE2 3.96Å
381	E	94.9	Very high	94	Very high	158 Å²	158	39.6 Å²	39.6	74%	0.738	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-71.8	160.5	176	-62.7	-174.6	-172.7	0	0	111.8
382	L	95.9	Very high	93.9	Very high	79 Å²	79	39.5 Å²	39.5	41%	0.414	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-74	149.3	175.3	-61.4	173.6	0	0	0	110.4	V207 A209 Y217 A375	V207-L382 HydrophobicContact CG1-CD2 4.22Å; A209-L382 HydrophobicContact CB-CD1 3.59Å; Y217-L382 HydrophobicContact CD1-CD2 4.02Å; Y217-L382 HydrophobicContact CE1-CD2 4.05Å; A375-L382 HydrophobicContact CB-CD2 4.06Å
383	D	94.8	Very high	93.9	Very high	32 Å²	32	39.7 Å²	39.7	17%	0.171	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-72.6	140.8	176.9	-63.9	-56.3	0	0	0	111.9	Y206 V207 F208 R371	Y206-D383 VanDerWaalsContact CA-OD2 3.22Å; Y206-D383 WeakPolarHBondContact CA-OD2 3.49Å; Y206-D383 HydrophobicContact CD1-CB 4.29Å; V207-D383 PolarHBondContact N-OD2 2.78Å; V207-D383 PolarHBondContact O-N 3.34Å; V207-D383 VanDerWaalsContact O-N 3.13Å; F208-D383 HydrophobicContact CD1-CB 4.45Å; F208-D383 WeakPolarHBondContact CD1-O 3.39Å; F208-D383 HydrophobicContact CE1-CB 3.91Å; F208-D383 WeakPolarHBondContact CE1-O 3.32Å; R371-D383 IonicContact CZ-OD1 3.16Å; R371-D383 IonicContact CZ-OD2 3.95Å; R371-D383 VanDerWaalsContact CZ-OD2 3.23Å; R371-D383 IonicContact NH1-OD1 2.57Å; R371-D383 IonicContact NH1-OD2 2.92Å; R371-D383 PolarHBondContact NH1-OD2 3.46Å; R371-D383 IonicContact NH2-OD1 2.73Å; R371-D383 PolarHBondContact NH2-OD1 2.89Å; R371-D383 IonicContact NH2-OD2 3.25Å; R371-D383 PolarHBondContact NH2-OD2 3.33Å
384	D	93.9	Very high	93.9	Very high	74 Å²	74	40.6 Å²	40.6	40%	0.396	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-83.2	126.3	169.7	-168	-7.5	0	0	0	111	D386 H387 N390 H502	D384-D386 VanDerWaalsContact C-N 3.3Å; D384-D386 PolarHBondContact OD1-N 2.94Å; D384-H387 HydrophobicContact CB-CB 4.12Å; D384-N390 PolarHBondContact O-ND2 2.81Å; D384-H502 IonicContact OD2-CD2 3.14Å; D384-H502 IonicContact OD2-NE2 2.77Å; D384-H502 PolarHBondContact OD2-NE2 3.37Å
385	R	89.9	Confident	93.9	Very high	120 Å²	120	39.9 Å²	39.9	45%	0.453	21%	0.206	S	C	.	.	S	Bend	trans	-70.9	-27.7	176.7	-68.5	-178.6	177.1	-174.6	2.6	112.7	F208 K391	F208-R385 HydrophobicContact CD1-CG 3.77Å; F208-R385 HydrophobicContact CE1-CB 4.4Å; F208-R385 HydrophobicContact CE1-CG 3.25Å; F208-R385 HydrophobicContact CE2-CG 4.28Å; F208-R385 HydrophobicContact CG-CG 4.47Å; F208-R385 HydrophobicContact CZ-CG 3.54Å; R385-K391 WeakPolarHBondContact O-CE 3.41Å
386	D	91.8	Very high	93.9	Very high	30 Å²	30	39.6 Å²	39.6	16%	0.16	20%	0.203	C	C	.	.	S	Bend	trans	-91.6	-14.4	-174.8	-70.7	-40.3	0	0	0	112.4	D384 Y388 K391 K497	D384-D386 VanDerWaalsContact C-N 3.3Å; D384-D386 PolarHBondContact OD1-N 2.94Å; D386-Y388 PolarHBondContact O-N 3.36Å; D386-K391 PolarHBondContact O-NZ 3.08Å; D386-K391 IonicContact OD1-NZ 3.72Å; D386-K497 WeakPolarHBondContact OD2-CB 3.28Å
387	H	95.8	Very high	93.9	Very high	20 Å²	20	38.7 Å²	38.7	9%	0.093	20%	0.196	C	C	.	.			trans	-51.7	121.6	172.9	-165.4	-83.5	0	0	0	111.8	D384 G389 N390 H502 T504 E671	D384-H387 HydrophobicContact CB-CB 4.12Å; H387-G389 VanDerWaalsContact C-N 3.34Å; H387-G389 PolarHBondContact ND1-N 3.42Å; H387-G389 VanDerWaalsContact ND1-N 3.13Å; H387-G389 PolarHBondContact O-N 2.89Å; H387-N390 WeakPolarHBondContact O-CB 3.32Å; H387-N390 PolarHBondContact O-N 3.2Å; H387-N390 VanDerWaalsContact O-N 3.17Å; H387-H502 AromaticContact CD2-CE1 3.91Å; H387-T504 WeakPolarHBondContact NE2-CG2 3.4Å; H387-E671 IonicContact CD2-OE1 2.85Å; H387-E671 IonicContact CE1-OE1 3.42Å; H387-E671 PolarHBondContact CE1-OE1 3.34Å; H387-E671 IonicContact ND1-OE1 3.04Å; H387-E671 IonicContact NE2-OE1 2.96Å; H387-E671 PolarHBondContact NE2-OE1 3.29Å
388	Y	94.5	Very high	93.8	Very high	5 Å²	5	39 Å²	39	2%	0.02	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-73.3	-24.8	-171	-141.8	-110.9	0	0	0	113.7	E198 D386 N390 K391 L393 T504 L505 V509 I621	E198-Y388 HydrophobicContact CG-CE2 4.34Å; D386-Y388 PolarHBondContact O-N 3.36Å; Y388-N390 PolarHBondContact O-N 3.08Å; Y388-K391 HydrophobicContact CD2-CD 3.95Å; Y388-K391 HydrophobicContact CE2-CD 4.2Å; Y388-K391 WeakPolarHBondContact O-CB 3.31Å; Y388-K391 PolarHBondContact O-N 2.9Å; Y388-L393 WeakPolarHBondContact OH-CD2 3.39Å; Y388-T504 PolarHBondContact N-OG1 2.78Å; Y388-T504 VanDerWaalsContact N-OG1 3.13Å; Y388-L505 HydrophobicContact CD1-CD2 4.25Å; Y388-L505 HydrophobicContact CD2-CD2 3.6Å; Y388-L505 HydrophobicContact CE2-CD2 3.94Å; Y388-L505 HydrophobicContact CG-CD2 3.77Å; Y388-V509 HydrophobicContact CE1-CG2 4.43Å; Y388-I621 HydrophobicContact CD1-CG2 3.56Å; Y388-I621 HydrophobicContact CE1-CD1 4.33Å; Y388-I621 HydrophobicContact CE1-CG2 3.7Å
389	G	94.1	Very high	93.8	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.031	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-62.5	-22.6	170.9	0	0	0	0	0	114.3	H387 K391 R392 T667	H387-G389 VanDerWaalsContact C-N 3.34Å; H387-G389 PolarHBondContact ND1-N 3.42Å; H387-G389 VanDerWaalsContact ND1-N 3.13Å; H387-G389 PolarHBondContact O-N 2.89Å; G389-K391 PolarHBondContact O-N 3.28Å; G389-R392 PolarHBondContact O-NH1 3.35Å; G389-T667 WeakPolarHBondContact CA-OG1 3.23Å; G389-T667 PolarHBondContact N-OG1 2.92Å
390	N	95.3	Very high	93.8	Very high	19 Å²	19	32.4 Å²	32.4	10%	0.102	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-87.2	8.7	174.1	-64.8	-29.4	0	0	0	112.6	M200 A201 Y206 D384 H387 Y388	M200-N390 HydrophobicContact SD-CB 4.24Å; A201-N390 WeakPolarHBondContact CB-O 3.26Å; A201-N390 PolarHBondContact N-O 3.49Å; Y206-N390 HydrophobicContact CE1-CB 3.72Å; Y206-N390 VanDerWaalsContact CE1-CG 3.49Å; Y206-N390 PolarHBondContact OH-O 3.11Å; D384-N390 PolarHBondContact O-ND2 2.81Å; H387-N390 WeakPolarHBondContact O-CB 3.32Å; H387-N390 PolarHBondContact O-N 3.2Å; H387-N390 VanDerWaalsContact O-N 3.17Å; Y388-N390 PolarHBondContact O-N 3.08Å
391	K	95.1	Very high	93.7	Very high	19 Å²	19	31.7 Å²	31.7	8%	0.083	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	159.3	-177.2	-56.7	-172.2	-176.1	172.8	0	111	E198 K199 R385 D386 Y388 G389	E198-K391 HydrophobicContact CG-CB 4.35Å; E198-K391 HydrophobicContact CG-CD 3.86Å; E198-K391 WeakPolarHBondContact OE1-CD 3.41Å; E198-K391 WeakPolarHBondContact OE1-CE 3.19Å; E198-K391 IonicContact OE1-NZ 3.41Å; E198-K391 PolarHBondContact OE1-NZ 3.09Å; K199-K391 CarbonylContact O-C 3.19Å; K199-K391 VanDerWaalsContact O-CA 3.24Å; K199-K391 WeakPolarHBondContact O-CA 3.24Å; K199-K391 WeakPolarHBondContact O-CB 3.46Å; R385-K391 WeakPolarHBondContact O-CE 3.41Å; D386-K391 PolarHBondContact O-NZ 3.08Å; D386-K391 IonicContact OD1-NZ 3.72Å; Y388-K391 HydrophobicContact CD2-CD 3.95Å; Y388-K391 HydrophobicContact CE2-CD 4.2Å; Y388-K391 WeakPolarHBondContact O-CB 3.31Å; Y388-K391 PolarHBondContact O-N 2.9Å; G389-K391 PolarHBondContact O-N 3.28Å
392	R	94.5	Very high	93.4	Very high	9 Å²	9	29.6 Å²	29.6	3%	0.034	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.4	176.1	-62.8	-64.1	-179.5	-93.4	3.7	110.3	K199 A201 G389 D617 G619 R620	K199-R392 HydrophobicContact CG-CB 4.18Å; K199-R392 PolarHBondContact N-O 2.98Å; K199-R392 PolarHBondContact O-N 3.17Å; A201-R392 HydrophobicContact CB-CG 3.83Å; G389-R392 PolarHBondContact O-NH1 3.35Å; R392-D617 IonicContact CZ-OD1 2.79Å; R392-D617 IonicContact CZ-OD2 3.82Å; R392-D617 IonicContact NE-OD1 3.17Å; R392-D617 PolarHBondContact NE-OD1 2.67Å; R392-D617 IonicContact NE-OD2 3.12Å; R392-D617 PolarHBondContact NE-OD2 3.33Å; R392-D617 IonicContact NH2-OD1 2.76Å; R392-D617 PolarHBondContact NH2-OD1 2.67Å; R392-D617 IonicContact NH2-OD2 3.95Å; R392-D617 PolarHBondContact NH2-OD2 3.12Å; R392-G619 CarbonylContact C-O 3.53Å; R392-G619 WeakPolarHBondContact CA-O 3.35Å; R392-R620 VanDerWaalsContact CZ-CG 3.43Å; R392-R620 VanDerWaalsContact NE-CG 3.28Å
393	L	95.5	Very high	93.1	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110.9	178.1	-62.5	-177.8	0	0	0	110.1	E198 Y388 L395 V485 L526 I532 G619 I621	E198-L393 HydrophobicContact CB-CD2 4.12Å; Y388-L393 WeakPolarHBondContact OH-CD2 3.39Å; L393-L395 PolarHBondContact O-N 3.41Å; L393-V485 HydrophobicContact CD1-CG2 4.24Å; L393-V485 HydrophobicContact CD2-CG1 3.53Å; L393-L526 HydrophobicContact CD1-CD2 4.39Å; L393-I532 HydrophobicContact CB-CD1 4.45Å; L393-I532 HydrophobicContact CD1-CD1 3.58Å; L393-I532 HydrophobicContact CD1-CG1 4.2Å; L393-G619 PolarHBondContact N-O 3.27Å; L393-G619 VanDerWaalsContact O-CA 3.28Å; L393-G619 WeakPolarHBondContact O-CA 3.48Å; L393-I621 HydrophobicContact CD1-CD1 4.34Å
394	D	93.8	Very high	93	Very high	19 Å²	19	24.6 Å²	24.6	10%	0.102	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	107.3	168.5	-72	-26	0	0	0	108.7	A196 Q197 K199 L399	A196-D394 WeakPolarHBondContact CA-O 3.23Å; Q197-D394 HydrophobicContact CB-CB 4.33Å; Q197-D394 PolarHBondContact N-O 2.81Å; Q197-D394 PolarHBondContact O-N 2.89Å; K199-D394 WeakPolarHBondContact CD-OD2 3.35Å; K199-D394 WeakPolarHBondContact CE-OD1 3.41Å; K199-D394 IonicContact NZ-OD1 2.96Å; K199-D394 PolarHBondContact NZ-OD1 3.43Å; K199-D394 IonicContact NZ-OD2 2.82Å; D394-L399 HydrophobicContact CB-CD2 3.96Å; D394-L399 HydrophobicContact CB-CG 4.05Å
395	L	94.8	Very high	92.8	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.026	11%	0.109	C	C	.	.			trans	-88.3	-172.5	175.6	-65.8	179.9	0	0	0	112.2	Q42 S46 A196 L393 G397 L399 I532	Q42-L395 HydrophobicContact CB-CD1 4.07Å; Q42-L395 WeakPolarHBondContact O-CD1 3.23Å; S46-L395 VanDerWaalsContact OG-CB 3.28Å; S46-L395 WeakPolarHBondContact OG-CB 3.46Å; A196-L395 HydrophobicContact CB-CD2 3.63Å; L393-L395 PolarHBondContact O-N 3.41Å; L395-G397 VanDerWaalsContact C-N 3.29Å; L395-G397 PolarHBondContact O-N 3.43Å; L395-L399 VanDerWaalsContact O-CB 3.27Å; L395-L399 WeakPolarHBondContact O-CB 3.05Å; L395-L399 WeakPolarHBondContact O-CD1 3.32Å; L395-L399 WeakPolarHBondContact O-CG 3.34Å; L395-L399 PolarHBondContact O-N 3.14Å; L395-L399 VanDerWaalsContact O-N 3.15Å; L395-I532 HydrophobicContact CD1-CB 3.93Å; L395-I532 HydrophobicContact CD1-CD1 4.08Å; L395-I532 HydrophobicContact CD1-CG2 3.58Å; L395-I532 HydrophobicContact CD2-CD1 3.86Å; L395-I532 HydrophobicContact CG-CD1 4.36Å; L395-I532 HydrophobicContact CG-CG2 4.27Å
396	A	93.4	Very high	92.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-53	-43.2	-178.7	0	0	0	0	0	113	M155 L194 L400	M155-A396 HydrophobicContact CE-CB 3.76Å; L194-A396 HydrophobicContact CD1-CB 3.99Å; A396-L400 VanDerWaalsContact O-CB 3.29Å; A396-L400 WeakPolarHBondContact O-CB 3.35Å; A396-L400 WeakPolarHBondContact O-CG 3.4Å; A396-L400 PolarHBondContact O-N 3.38Å
397	G	92.4	Very high	92.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-64.2	-178.3	0	0	0	0	0	113.4	S46 L395 L399 L400 A401	S46-G397 WeakPolarHBondContact O-CA 3.46Å; S46-G397 WeakPolarHBondContact OG-CA 3.39Å; S46-G397 PolarHBondContact OG-N 2.74Å; L395-G397 VanDerWaalsContact C-N 3.29Å; L395-G397 PolarHBondContact O-N 3.43Å; G397-L399 PolarHBondContact O-N 3.2Å; G397-L400 PolarHBondContact O-N 3.35Å; G397-L400 VanDerWaalsContact O-N 3.08Å; G397-A401 WeakPolarHBondContact O-CB 3.48Å; G397-A401 PolarHBondContact O-N 2.84Å
398	P	91.2	Very high	92.5	Very high	43 Å²	43	18.4 Å²	18.4	28%	0.279	10%	0.102	S	C	.	.	H	α-helix	trans	-56.4	-36.1	178	-28.1	35.4	0	0	0	113.8	S46 F402	S46-P398 WeakPolarHBondContact OG-CD 3.06Å; P398-F402 PolarHBondContact O-N 3.32Å; P398-F402 VanDerWaalsContact O-N 3.08Å
399	L	91.9	Very high	92.3	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-66.1	-42.3	176.7	-71.4	173.8	0	0	0	112.3	Q197 D394 L395 G397 L403 W453 V466	Q197-L399 HydrophobicContact CG-CD1 4.37Å; Q197-L399 HydrophobicContact CG-CD2 4.3Å; D394-L399 HydrophobicContact CB-CD2 3.96Å; D394-L399 HydrophobicContact CB-CG 4.05Å; L395-L399 VanDerWaalsContact O-CB 3.27Å; L395-L399 WeakPolarHBondContact O-CB 3.05Å; L395-L399 WeakPolarHBondContact O-CD1 3.32Å; L395-L399 WeakPolarHBondContact O-CG 3.34Å; L395-L399 PolarHBondContact O-N 3.14Å; L395-L399 VanDerWaalsContact O-N 3.15Å; G397-L399 PolarHBondContact O-N 3.2Å; L399-L403 PolarHBondContact O-N 3.15Å; L399-W453 HydrophobicContact CB-CZ2 3.77Å; L399-W453 PolarHBondContact O-NE1 3.45Å; L399-V466 HydrophobicContact CD1-CG1 3.73Å; L399-V466 HydrophobicContact CD2-CG1 4.42Å
400	L	93.1	Very high	92.2	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-73.2	-38.7	176.7	-73.2	172.9	0	0	0	111.8	F47 F50 F185 L194 A396 G397 F402 L403 F404 L444 L448 W453	F47-L400 HydrophobicContact CD2-CD1 3.79Å; F47-L400 HydrophobicContact CE2-CD1 3.84Å; F50-L400 HydrophobicContact CD1-CB 4.17Å; F50-L400 HydrophobicContact CD1-CD1 4.17Å; F50-L400 HydrophobicContact CD2-CB 4.3Å; F50-L400 HydrophobicContact CE1-CB 3.85Å; F50-L400 HydrophobicContact CE1-CD1 4.08Å; F50-L400 HydrophobicContact CE2-CB 4.01Å; F50-L400 HydrophobicContact CG-CB 4.39Å; F50-L400 HydrophobicContact CZ-CB 3.77Å; F185-L400 HydrophobicContact CZ-CD1 3.94Å; L194-L400 HydrophobicContact CD1-CD1 4.5Å; L194-L400 HydrophobicContact CD1-CG 4.27Å; A396-L400 VanDerWaalsContact O-CB 3.29Å; A396-L400 WeakPolarHBondContact O-CB 3.35Å; A396-L400 WeakPolarHBondContact O-CG 3.4Å; A396-L400 PolarHBondContact O-N 3.38Å; G397-L400 PolarHBondContact O-N 3.35Å; G397-L400 VanDerWaalsContact O-N 3.08Å; L400-F402 VanDerWaalsContact C-N 3.28Å; L400-F402 PolarHBondContact O-N 3.39Å; L400-L403 PolarHBondContact O-N 2.83Å; L400-L403 VanDerWaalsContact O-N 3.1Å; L400-F404 WeakPolarHBondContact O-CB 3.44Å; L400-F404 PolarHBondContact O-N 3.17Å; L400-L444 HydrophobicContact CD2-CD2 4.48Å; L400-L448 HydrophobicContact CD2-CD2 4.32Å; L400-W453 HydrophobicContact CD2-CH2 4.43Å; L400-W453 HydrophobicContact CD2-CZ2 4.27Å
401	A	91.3	Very high	92.1	Very high	15 Å²	15	25 Å²	25	12%	0.124	13%	0.133	C	C	.	.	H	α-helix	trans	-55.1	-44.6	173.5	0	0	0	0	0	111.4	F50 I58 G397 L403 R405	F50-A401 HydrophobicContact CD2-CB 3.99Å; F50-A401 HydrophobicContact CE2-CB 4.11Å; I58-A401 HydrophobicContact CD1-CB 4.05Å; G397-A401 WeakPolarHBondContact O-CB 3.48Å; G397-A401 PolarHBondContact O-N 2.84Å; A401-L403 PolarHBondContact O-N 2.79Å; A401-R405 WeakPolarHBondContact O-CB 3.44Å; A401-R405 PolarHBondContact O-N 3.05Å
402	F	89.1	Confident	92	Very high	114 Å²	114	24.9 Å²	24.9	50%	0.5	13%	0.133	S	C	.	.	H	α-helix	trans	-59.1	-45.3	174.9	175.6	-100.2	0	0	0	113	P398 L400 G406	P398-F402 PolarHBondContact O-N 3.32Å; P398-F402 VanDerWaalsContact O-N 3.08Å; L400-F402 VanDerWaalsContact C-N 3.28Å; L400-F402 PolarHBondContact O-N 3.39Å; F402-G406 PolarHBondContact O-N 2.83Å
403	L	89.9	Confident	91.9	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-69.5	-49.5	179.4	-71.3	-178.5	0	0	0	112.3	L399 L400 A401 R405 G406 M407 L444 W453	L399-L403 PolarHBondContact O-N 3.15Å; L400-L403 PolarHBondContact O-N 2.83Å; L400-L403 VanDerWaalsContact O-N 3.1Å; A401-L403 PolarHBondContact O-N 2.79Å; L403-R405 VanDerWaalsContact C-N 3.28Å; L403-R405 PolarHBondContact O-N 3.43Å; L403-G406 PolarHBondContact O-N 3.24Å; L403-G406 VanDerWaalsContact O-N 3.13Å; L403-M407 HydrophobicContact CB-CE 4.27Å; L403-M407 WeakPolarHBondContact O-CG 3.48Å; L403-M407 PolarHBondContact O-N 2.9Å; L403-L444 HydrophobicContact CB-CD2 4.15Å; L403-W453 HydrophobicContact CD1-CD2 3.72Å; L403-W453 HydrophobicContact CD1-CE3 4.18Å; L403-W453 HydrophobicContact CD1-CG 4.24Å; L403-W453 HydrophobicContact CD1-CH2 3.93Å; L403-W453 HydrophobicContact CD1-CZ2 3.44Å; L403-W453 VanDerWaalsContact CD1-CZ2 3.44Å; L403-W453 HydrophobicContact CD1-CZ3 4.27Å; L403-W453 HydrophobicContact CD2-CD2 4.5Å; L403-W453 HydrophobicContact CD2-CG 4.17Å; L403-W453 HydrophobicContact CG-CD2 4.28Å; L403-W453 HydrophobicContact CG-CG 4.33Å; L403-W453 HydrophobicContact CG-CZ2 4.23Å
404	F	92.4	Very high	91.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.5	-45.5	-178.1	-179.4	-100.3	0	0	0	110.4	F50 V55 I58 V59 L124 I152 L400 G406 M407 F408 I440	F50-F404 HydrophobicContact CE2-CB 4.44Å; F50-F404 HydrophobicContact CZ-CB 4.31Å; V55-F404 HydrophobicContact CG1-CD1 4.41Å; V55-F404 HydrophobicContact CG1-CE1 3.75Å; V55-F404 HydrophobicContact CG1-CZ 3.83Å; I58-F404 HydrophobicContact CB-CD1 4.43Å; I58-F404 HydrophobicContact CD1-CD1 4.17Å; I58-F404 HydrophobicContact CG2-CD1 3.96Å; I58-F404 HydrophobicContact CG2-CE1 4.09Å; V59-F404 HydrophobicContact CG2-CE1 4.35Å; L124-F404 HydrophobicContact CD2-CE2 4.04Å; L124-F404 HydrophobicContact CD2-CZ 4.08Å; I152-F404 HydrophobicContact CD1-CD2 4.47Å; I152-F404 HydrophobicContact CD1-CE2 4.24Å; L400-F404 WeakPolarHBondContact O-CB 3.44Å; L400-F404 PolarHBondContact O-N 3.17Å; F404-G406 PolarHBondContact O-N 3.32Å; F404-M407 PolarHBondContact O-N 2.71Å; F404-F408 HydrophobicContact CE1-CB 4.33Å; F404-F408 HydrophobicContact CE1-CG 4.49Å; F404-F408 HydrophobicContact CZ-CD2 4.43Å; F404-F408 VanDerWaalsContact O-CB 3.3Å; F404-F408 WeakPolarHBondContact O-CB 3.29Å; F404-F408 PolarHBondContact O-N 2.89Å; F404-I440 HydrophobicContact CD2-CG2 4.27Å; F404-I440 HydrophobicContact CE2-CD1 4.2Å; F404-I440 HydrophobicContact CE2-CG2 4.07Å
405	R	88.8	Confident	91.7	Very high	46 Å²	46	32 Å²	32	17%	0.174	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-44.3	176	-176.7	169.4	66.7	84.9	-18.9	113.4	I58 S229 A401 L403 K409	I58-R405 HydrophobicContact CD1-CB 4.25Å; I58-R405 HydrophobicContact CG2-CB 4.05Å; I58-R405 HydrophobicContact CG2-CG 4.2Å; S229-R405 PolarHBondContact O-NH1 3.46Å; A401-R405 WeakPolarHBondContact O-CB 3.44Å; A401-R405 PolarHBondContact O-N 3.05Å; L403-R405 VanDerWaalsContact C-N 3.28Å; L403-R405 PolarHBondContact O-N 3.43Å; R405-K409 WeakPolarHBondContact O-CB 3.14Å; R405-K409 WeakPolarHBondContact O-CG 3.47Å; R405-K409 PolarHBondContact O-N 3.35Å
406	G	88.3	Confident	91.6	Very high	43 Å²	43	38.2 Å²	38.2	44%	0.443	19%	0.187	S	C	.	.	H	α-helix	trans	-63.1	-42.6	176.6	0	0	0	0	0	112.4	F402 L403 F404 N410	F402-G406 PolarHBondContact O-N 2.83Å; L403-G406 PolarHBondContact O-N 3.24Å; L403-G406 VanDerWaalsContact O-N 3.13Å; F404-G406 PolarHBondContact O-N 3.32Å; G406-N410 PolarHBondContact O-N 3.39Å; G406-N410 VanDerWaalsContact O-N 3.16Å
407	M	91.4	Very high	91.6	Very high	23 Å²	23	41.5 Å²	41.5	11%	0.113	20%	0.204	C	C	.	.	H	α-helix	trans	-70.5	-39.9	178.9	-65.9	174.2	-168.2	0	0	112.2	L403 F404 N410 L411 I440 G443 L444	L403-M407 HydrophobicContact CB-CE 4.27Å; L403-M407 WeakPolarHBondContact O-CG 3.48Å; L403-M407 PolarHBondContact O-N 2.9Å; F404-M407 PolarHBondContact O-N 2.71Å; M407-N410 WeakPolarHBondContact O-CB 3.08Å; M407-N410 PolarHBondContact O-N 3.22Å; M407-L411 PolarHBondContact O-N 3.45Å; M407-I440 HydrophobicContact CB-CG1 4.41Å; M407-G443 WeakPolarHBondContact CE-O 3.47Å; M407-L444 HydrophobicContact CE-CD2 4.23Å; M407-L444 HydrophobicContact SD-CD2 3.92Å; M407-L444 HydrophobicContact SD-CG 3.86Å
408	F	92.4	Very high	91.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-66.3	-44	177.7	-170.3	-112.4	0	0	0	111.4	I58 V59 A62 F88 F404 N410 L411 L412 I440	I58-F408 HydrophobicContact CG2-CD1 4.5Å; V59-F408 HydrophobicContact CB-CE1 4.42Å; V59-F408 HydrophobicContact CB-CZ 4.4Å; V59-F408 HydrophobicContact CG1-CE1 4.48Å; V59-F408 HydrophobicContact CG1-CZ 4.11Å; V59-F408 HydrophobicContact CG2-CE1 4.16Å; V59-F408 HydrophobicContact CG2-CE2 4.3Å; V59-F408 HydrophobicContact CG2-CZ 3.98Å; A62-F408 HydrophobicContact CB-CD1 4.3Å; A62-F408 HydrophobicContact CB-CE1 3.76Å; F88-F408 HydrophobicContact CD1-CZ 4.38Å; F88-F408 HydrophobicContact CG-CZ 4.32Å; F404-F408 HydrophobicContact CE1-CB 4.33Å; F404-F408 HydrophobicContact CE1-CG 4.49Å; F404-F408 HydrophobicContact CZ-CD2 4.43Å; F404-F408 VanDerWaalsContact O-CB 3.3Å; F404-F408 WeakPolarHBondContact O-CB 3.29Å; F404-F408 PolarHBondContact O-N 2.89Å; F408-N410 VanDerWaalsContact C-N 3.26Å; F408-N410 PolarHBondContact O-N 3.04Å; F408-L411 HydrophobicContact CD2-CD2 4.24Å; F408-L411 HydrophobicContact CE2-CD2 4.4Å; F408-L411 WeakPolarHBondContact O-CB 3.46Å; F408-L411 PolarHBondContact O-N 3.49Å; F408-L411 VanDerWaalsContact O-N 3.08Å; F408-L412 HydrophobicContact CD1-CD1 3.97Å; F408-L412 HydrophobicContact CD1-CG 4.38Å; F408-L412 HydrophobicContact CE1-CD1 3.79Å; F408-L412 HydrophobicContact CE1-CD2 4.27Å; F408-L412 HydrophobicContact CE1-CG 4.16Å; F408-L412 HydrophobicContact CZ-CD1 4.46Å; F408-L412 HydrophobicContact CZ-CD2 4.15Å; F408-L412 HydrophobicContact CZ-CG 4.4Å; F408-L412 WeakPolarHBondContact O-CG 2.95Å; F408-L412 PolarHBondContact O-N 3Å; F408-I440 HydrophobicContact CD2-CD1 4.32Å
409	K	90.4	Very high	91.6	Very high	89 Å²	89	41.8 Å²	41.8	39%	0.387	20%	0.2	S	C	.	.	H	α-helix	trans	-58.7	-37.8	171.4	-76.5	-170.5	176	-168.5	0	112.7	S229 R405 K413	S229-K409 PolarHBondContact OG-NZ 3.06Å; R405-K409 WeakPolarHBondContact O-CB 3.14Å; R405-K409 WeakPolarHBondContact O-CG 3.47Å; R405-K409 PolarHBondContact O-N 3.35Å; K409-K413 PolarHBondContact O-N 3.28Å; K409-K413 VanDerWaalsContact O-N 3.1Å
410	N	91.4	Very high	91.4	Very high	77 Å²	77	43.3 Å²	43.3	41%	0.412	21%	0.207	S	C	.	.	H	α-helix	trans	-68.7	-38.5	175.3	-167.4	30.7	0	0	0	112	G406 M407 F408 K413 E414 I439	G406-N410 PolarHBondContact O-N 3.39Å; G406-N410 VanDerWaalsContact O-N 3.16Å; M407-N410 WeakPolarHBondContact O-CB 3.08Å; M407-N410 PolarHBondContact O-N 3.22Å; F408-N410 VanDerWaalsContact C-N 3.26Å; F408-N410 PolarHBondContact O-N 3.04Å; N410-K413 WeakPolarHBondContact O-CB 3.31Å; N410-K413 PolarHBondContact O-N 3.21Å; N410-E414 PolarHBondContact O-N 3.5Å; N410-I439 HydrophobicContact CB-CG2 4.43Å
411	L	93.1	Very high	91.3	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-47.9	173	177.9	65.8	0	0	0	111.1	M407 F408 K413 E414 I415 I435 K436 I439 I440	M407-L411 PolarHBondContact O-N 3.45Å; F408-L411 HydrophobicContact CD2-CD2 4.24Å; F408-L411 HydrophobicContact CE2-CD2 4.4Å; F408-L411 WeakPolarHBondContact O-CB 3.46Å; F408-L411 PolarHBondContact O-N 3.49Å; F408-L411 VanDerWaalsContact O-N 3.08Å; L411-K413 VanDerWaalsContact C-N 3.28Å; L411-K413 PolarHBondContact O-N 3.16Å; L411-E414 PolarHBondContact O-N 2.78Å; L411-E414 VanDerWaalsContact O-N 3.1Å; L411-I415 HydrophobicContact CD1-CD1 4.31Å; L411-I415 HydrophobicContact CD1-CG1 4.46Å; L411-I415 HydrophobicContact CG-CD1 3.98Å; L411-I415 WeakPolarHBondContact O-CG1 2.9Å; L411-I415 PolarHBondContact O-N 3.26Å; L411-I435 HydrophobicContact CD1-CG2 4.39Å; L411-K436 HydrophobicContact CD1-CB 4.42Å; L411-I439 HydrophobicContact CD1-CD1 4.22Å; L411-I440 HydrophobicContact CD2-CD1 3.72Å; L411-I440 HydrophobicContact CD2-CG1 4.43Å
412	L	92.8	Very high	91.1	Very high	16 Å²	16	50.7 Å²	50.7	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-40.5	176.7	-66.5	172.2	0	0	0	111.9	A62 I65 F88 F408 I415 R416	A62-L412 HydrophobicContact CB-CD1 3.7Å; I65-L412 HydrophobicContact CD1-CB 4.13Å; I65-L412 HydrophobicContact CD1-CD2 3.75Å; I65-L412 HydrophobicContact CG1-CD2 4.34Å; F88-L412 HydrophobicContact CD2-CD2 3.89Å; F88-L412 HydrophobicContact CE2-CD2 3.24Å; F88-L412 HydrophobicContact CZ-CD2 3.61Å; F408-L412 HydrophobicContact CD1-CD1 3.97Å; F408-L412 HydrophobicContact CD1-CG 4.38Å; F408-L412 HydrophobicContact CE1-CD1 3.79Å; F408-L412 HydrophobicContact CE1-CD2 4.27Å; F408-L412 HydrophobicContact CE1-CG 4.16Å; F408-L412 HydrophobicContact CZ-CD1 4.46Å; F408-L412 HydrophobicContact CZ-CD2 4.15Å; F408-L412 HydrophobicContact CZ-CG 4.4Å; F408-L412 WeakPolarHBondContact O-CG 2.95Å; F408-L412 PolarHBondContact O-N 3Å; L412-I415 PolarHBondContact O-N 2.97Å; L412-R416 WeakPolarHBondContact O-CB 3.36Å; L412-R416 PolarHBondContact O-N 3.48Å
413	K	92.8	Very high	91	Very high	128 Å²	128	45.6 Å²	45.6	56%	0.557	21%	0.214	S	C	*	.	H	α-helix	trans	-62.7	-41.9	175.3	-176	-177.9	176.4	-177.2	0	112.3	K409 N410 L411 R416 I417	K409-K413 PolarHBondContact O-N 3.28Å; K409-K413 VanDerWaalsContact O-N 3.1Å; N410-K413 WeakPolarHBondContact O-CB 3.31Å; N410-K413 PolarHBondContact O-N 3.21Å; L411-K413 VanDerWaalsContact C-N 3.28Å; L411-K413 PolarHBondContact O-N 3.16Å; K413-R416 WeakPolarHBondContact O-CB 3.43Å; K413-R416 PolarHBondContact O-N 3.04Å; K413-I417 HydrophobicContact CG-CD1 4.2Å; K413-I417 WeakPolarHBondContact O-CG1 3.48Å; K413-I417 PolarHBondContact O-N 3.43Å
414	E	93.1	Very high	90.7	Very high	51 Å²	51	49 Å²	49	24%	0.238	23%	0.232	C	C	.	.	H	α-helix	trans	-69.3	-38.7	178	-72.8	-70.8	141.7	0	0	112.2	N410 L411 R416 I417 Y418 K436 I439	N410-E414 PolarHBondContact O-N 3.5Å; L411-E414 PolarHBondContact O-N 2.78Å; L411-E414 VanDerWaalsContact O-N 3.1Å; E414-R416 VanDerWaalsContact C-N 3.31Å; E414-R416 PolarHBondContact O-N 3.33Å; E414-I417 PolarHBondContact O-N 3.45Å; E414-Y418 WeakPolarHBondContact O-CB 3.32Å; E414-Y418 PolarHBondContact O-N 3.29Å; E414-K436 HydrophobicContact CB-CD 4.41Å; E414-K436 IonicContact OE2-NZ 2.92Å; E414-K436 PolarHBondContact OE2-NZ 3.46Å; E414-I439 HydrophobicContact CB-CD1 4.17Å; E414-I439 HydrophobicContact CG-CD1 3.81Å
415	I	92.8	Very high	90.3	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-45.7	171.8	-67.9	168.4	0	0	0	109.7	I65 L86 F88 L411 L412 I417 Y418 A419 A434 I435	I65-I415 HydrophobicContact CD1-CB 4.3Å; I65-I415 HydrophobicContact CD1-CG2 4.03Å; L86-I415 HydrophobicContact CD1-CG2 3.96Å; F88-I415 HydrophobicContact CZ-CD1 4.02Å; L411-I415 HydrophobicContact CD1-CD1 4.31Å; L411-I415 HydrophobicContact CD1-CG1 4.46Å; L411-I415 HydrophobicContact CG-CD1 3.98Å; L411-I415 WeakPolarHBondContact O-CG1 2.9Å; L411-I415 PolarHBondContact O-N 3.26Å; L412-I415 PolarHBondContact O-N 2.97Å; I415-I417 PolarHBondContact O-N 2.89Å; I415-Y418 PolarHBondContact O-N 3.08Å; I415-A419 WeakPolarHBondContact O-CB 3.44Å; I415-A419 PolarHBondContact O-N 3.32Å; I415-A434 HydrophobicContact CG1-CB 4.5Å; I415-A434 HydrophobicContact CG2-CB 4.34Å; I415-I435 HydrophobicContact CD1-CG1 3.96Å; I415-I435 HydrophobicContact CG1-CG1 4.39Å
416	R	92.4	Very high	89.7	Confident	137 Å²	137	58.7 Å²	58.7	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-57.8	-48	176.8	-171.2	-176.8	173.2	169	1.4	112	I65 L67 L412 K413 E414 Y418 A419 Q420	I65-R416 HydrophobicContact CG2-CB 4.17Å; I65-R416 HydrophobicContact CG2-CG 4.1Å; L67-R416 HydrophobicContact CD1-CG 4.42Å; L67-R416 HydrophobicContact CD2-CG 3.45Å; L67-R416 VanDerWaalsContact CD2-CG 3.45Å; L67-R416 HydrophobicContact CG-CG 4.36Å; L412-R416 WeakPolarHBondContact O-CB 3.36Å; L412-R416 PolarHBondContact O-N 3.48Å; K413-R416 WeakPolarHBondContact O-CB 3.43Å; K413-R416 PolarHBondContact O-N 3.04Å; E414-R416 VanDerWaalsContact C-N 3.31Å; E414-R416 PolarHBondContact O-N 3.33Å; R416-Y418 VanDerWaalsContact C-N 3.33Å; R416-Y418 PolarHBondContact O-N 2.95Å; R416-A419 PolarHBondContact O-N 3.31Å; R416-Q420 WeakPolarHBondContact O-CB 3.42Å; R416-Q420 PolarHBondContact O-N 3.49Å
417	I	92.2	Very high	89.5	Confident	68 Å²	68	63.1 Å²	63.1	35%	0.349	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-40.2	178.8	-68.4	165.4	0	0	0	111.2	K413 E414 I415 K421	K413-I417 HydrophobicContact CG-CD1 4.2Å; K413-I417 WeakPolarHBondContact O-CG1 3.48Å; K413-I417 PolarHBondContact O-N 3.43Å; E414-I417 PolarHBondContact O-N 3.45Å; I415-I417 PolarHBondContact O-N 2.89Å; I417-K421 WeakPolarHBondContact O-CG 3.42Å; I417-K421 PolarHBondContact O-N 3.02Å
418	Y	92.9	Very high	88.9	Confident	49 Å²	49	66.6 Å²	66.6	19%	0.192	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-52.7	177.6	-177.5	-90.9	0	0	0	110.8	E414 I415 R416 Q420 K421 F422 F429 L433 A434	E414-Y418 WeakPolarHBondContact O-CB 3.32Å; E414-Y418 PolarHBondContact O-N 3.29Å; I415-Y418 PolarHBondContact O-N 3.08Å; R416-Y418 VanDerWaalsContact C-N 3.33Å; R416-Y418 PolarHBondContact O-N 2.95Å; Y418-Q420 PolarHBondContact O-N 3.39Å; Y418-K421 PolarHBondContact O-N 3.19Å; Y418-F422 HydrophobicContact CD1-CD2 4.19Å; Y418-F422 HydrophobicContact CD1-CE2 4.21Å; Y418-F422 HydrophobicContact CD2-CE2 4.18Å; Y418-F422 AromaticContact CE1-CD2 3.9Å; Y418-F422 HydrophobicContact CE1-CD2 3.9Å; Y418-F422 AromaticContact CE1-CE2 3.64Å; Y418-F422 HydrophobicContact CE1-CE2 3.64Å; Y418-F422 HydrophobicContact CE1-CZ 4.4Å; Y418-F422 HydrophobicContact CE2-CD2 4.45Å; Y418-F422 AromaticContact CE2-CE2 3.59Å; Y418-F422 HydrophobicContact CE2-CE2 3.59Å; Y418-F422 HydrophobicContact CE2-CZ 4.32Å; Y418-F422 HydrophobicContact CG-CE2 4.47Å; Y418-F422 AromaticContact CZ-CE2 3.28Å; Y418-F422 AromaticContact CZ-CZ 3.85Å; Y418-F422 WeakPolarHBondContact O-CD2 3.46Å; Y418-F422 WeakPolarHBondContact OH-CE2 3.35Å; Y418-F422 WeakPolarHBondContact OH-CZ 3.21Å; Y418-F429 HydrophobicContact CE1-CB 4.28Å; Y418-L433 WeakPolarHBondContact OH-CB 3.49Å; Y418-A434 HydrophobicContact CD1-CB 3.34Å; Y418-A434 HydrophobicContact CE1-CB 3.8Å; Y418-A434 HydrophobicContact CG-CB 3.96Å
419	A	90.6	Very high	88.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-44	-179.5	0	0	0	0	0	112	L67 I415 R416 K421 F422 I423 F429	L67-A419 HydrophobicContact CD1-CB 3.35Å; I415-A419 WeakPolarHBondContact O-CB 3.44Å; I415-A419 PolarHBondContact O-N 3.32Å; R416-A419 PolarHBondContact O-N 3.31Å; A419-K421 VanDerWaalsContact C-N 3.32Å; A419-K421 PolarHBondContact O-N 2.99Å; A419-F422 PolarHBondContact O-N 3.04Å; A419-F422 VanDerWaalsContact O-N 3.08Å; A419-I423 HydrophobicContact CB-CD1 4.4Å; A419-I423 VanDerWaalsContact O-CG1 3.29Å; A419-I423 WeakPolarHBondContact O-CG1 3.33Å; A419-I423 PolarHBondContact O-N 2.86Å; A419-F429 HydrophobicContact CB-CD1 4.02Å; A419-F429 HydrophobicContact CB-CD2 4.11Å; A419-F429 HydrophobicContact CB-CE1 3.92Å; A419-F429 HydrophobicContact CB-CE2 4.01Å; A419-F429 HydrophobicContact CB-CG 4.12Å; A419-F429 HydrophobicContact CB-CZ 3.91Å
420	Q	89.2	Confident	88.5	Confident	39 Å²	39	66.2 Å²	66.2	18%	0.182	32%	0.319	C	S	.	.	H	α-helix	trans	-55	-46	177.4	-168.3	70.1	48.7	0	0	111.9	L67 Q68 R416 Y418 F422 I423 D424	L67-Q420 VanDerWaalsContact CD2-OE1 3.26Å; Q68-Q420 PolarHBondContact O-NE2 3.26Å; Q68-Q420 VanDerWaalsContact O-NE2 3.09Å; R416-Q420 WeakPolarHBondContact O-CB 3.42Å; R416-Q420 PolarHBondContact O-N 3.49Å; Y418-Q420 PolarHBondContact O-N 3.39Å; Q420-F422 PolarHBondContact O-N 3.3Å; Q420-F422 VanDerWaalsContact O-N 3.14Å; Q420-I423 PolarHBondContact O-N 3.47Å; Q420-D424 PolarHBondContact NE2-OD1 2.89Å; Q420-D424 WeakPolarHBondContact O-CB 3.41Å; Q420-D424 PolarHBondContact O-N 2.73Å
421	K	89.4	Confident	88.3	Confident	124 Å²	124	62.7 Å²	62.7	54%	0.539	30%	0.3	S	S	.	.	H	α-helix	trans	-59.9	-28.2	179.6	-73.7	175.9	-179.3	-177.4	0	114.5	I417 Y418 A419 R425	I417-K421 WeakPolarHBondContact O-CG 3.42Å; I417-K421 PolarHBondContact O-N 3.02Å; Y418-K421 PolarHBondContact O-N 3.19Å; A419-K421 VanDerWaalsContact C-N 3.32Å; A419-K421 PolarHBondContact O-N 2.99Å; K421-R425 VanDerWaalsContact O-CD 3.32Å; K421-R425 WeakPolarHBondContact O-CD 3.47Å; K421-R425 VanDerWaalsContact O-CG 3.31Å; K421-R425 WeakPolarHBondContact O-CG 3.43Å
422	F	88.4	Confident	88.1	Confident	52 Å²	52	68.7 Å²	68.7	23%	0.228	33%	0.328	C	S	.	.	H	α-helix	trans	-86.7	-40.6	177.6	-81.7	-94.7	0	0	0	111.3	Y418 A419 Q420 D424 R425 G426 K427 F429	Y418-F422 HydrophobicContact CD1-CD2 4.19Å; Y418-F422 HydrophobicContact CD1-CE2 4.21Å; Y418-F422 HydrophobicContact CD2-CE2 4.18Å; Y418-F422 AromaticContact CE1-CD2 3.9Å; Y418-F422 HydrophobicContact CE1-CD2 3.9Å; Y418-F422 AromaticContact CE1-CE2 3.64Å; Y418-F422 HydrophobicContact CE1-CE2 3.64Å; Y418-F422 HydrophobicContact CE1-CZ 4.4Å; Y418-F422 HydrophobicContact CE2-CD2 4.45Å; Y418-F422 AromaticContact CE2-CE2 3.59Å; Y418-F422 HydrophobicContact CE2-CE2 3.59Å; Y418-F422 HydrophobicContact CE2-CZ 4.32Å; Y418-F422 HydrophobicContact CG-CE2 4.47Å; Y418-F422 AromaticContact CZ-CE2 3.28Å; Y418-F422 AromaticContact CZ-CZ 3.85Å; Y418-F422 WeakPolarHBondContact O-CD2 3.46Å; Y418-F422 WeakPolarHBondContact OH-CE2 3.35Å; Y418-F422 WeakPolarHBondContact OH-CZ 3.21Å; A419-F422 PolarHBondContact O-N 3.04Å; A419-F422 VanDerWaalsContact O-N 3.08Å; Q420-F422 PolarHBondContact O-N 3.3Å; Q420-F422 VanDerWaalsContact O-N 3.14Å; F422-D424 VanDerWaalsContact C-N 3.33Å; F422-D424 PolarHBondContact O-N 3.11Å; F422-R425 CarbonylContact O-C 3.54Å; F422-R425 WeakPolarHBondContact O-CA 3.37Å; F422-R425 WeakPolarHBondContact O-CB 3.44Å; F422-R425 PolarHBondContact O-N 3.42Å; F422-G426 PolarHBondContact O-N 2.98Å; F422-K427 CarbonylContact C-O 3.4Å; F422-K427 HydrophobicContact CD1-CB 4.49Å; F422-K427 PolarHBondContact O-N 3.09Å; F422-K427 VanDerWaalsContact O-O 3.14Å; F422-F429 HydrophobicContact CB-CB 3.77Å; F422-F429 HydrophobicContact CD2-CB 4.29Å; F422-F429 HydrophobicContact CG-CB 3.95Å
423	I	85.9	Confident	87.9	Confident	6 Å²	6	73.5 Å²	73.5	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-42.8	175.8	-65.9	166.5	0	0	0	110.5	L67 A69 Y84 A419 Q420 R425 G426 F429	L67-I423 HydrophobicContact CB-CD1 3.63Å; L67-I423 HydrophobicContact CD1-CD1 3.94Å; L67-I423 HydrophobicContact CG-CD1 4.42Å; A69-I423 HydrophobicContact CB-CG2 3.64Å; Y84-I423 HydrophobicContact CD2-CD1 3.56Å; Y84-I423 HydrophobicContact CD2-CG1 3.89Å; Y84-I423 HydrophobicContact CD2-CG2 4.42Å; Y84-I423 HydrophobicContact CE2-CD1 4.06Å; Y84-I423 HydrophobicContact CE2-CG1 3.83Å; Y84-I423 HydrophobicContact CE2-CG2 4.14Å; Y84-I423 HydrophobicContact CG-CD1 3.99Å; A419-I423 HydrophobicContact CB-CD1 4.4Å; A419-I423 VanDerWaalsContact O-CG1 3.29Å; A419-I423 WeakPolarHBondContact O-CG1 3.33Å; A419-I423 PolarHBondContact O-N 2.86Å; Q420-I423 PolarHBondContact O-N 3.47Å; I423-R425 PolarHBondContact O-N 3.17Å; I423-G426 WeakPolarHBondContact O-CA 3.4Å; I423-G426 PolarHBondContact O-N 2.9Å; I423-F429 HydrophobicContact CD1-CD1 4.48Å; I423-F429 HydrophobicContact CD1-CE1 4.2Å; I423-F429 HydrophobicContact CG1-CD1 4.3Å; I423-F429 HydrophobicContact CG1-CE1 4.45Å
424	D	84.2	Confident	87.9	Confident	77 Å²	77	67.5 Å²	67.5	41%	0.412	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.3	175.9	-62.4	-22	0	0	0	112.8	Q420 F422 G426	Q420-D424 PolarHBondContact NE2-OD1 2.89Å; Q420-D424 WeakPolarHBondContact O-CB 3.41Å; Q420-D424 PolarHBondContact O-N 2.73Å; F422-D424 VanDerWaalsContact C-N 3.33Å; F422-D424 PolarHBondContact O-N 3.11Å; D424-G426 VanDerWaalsContact C-N 3.35Å
425	R	84.3	Confident	87.9	Confident	180 Å²	180	65.6 Å²	65.6	68%	0.679	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	1.5	174.5	-66.1	172.7	-179.9	-175.9	-2.7	112.9	K421 F422 I423 K427	K421-R425 VanDerWaalsContact O-CD 3.32Å; K421-R425 WeakPolarHBondContact O-CD 3.47Å; K421-R425 VanDerWaalsContact O-CG 3.31Å; K421-R425 WeakPolarHBondContact O-CG 3.43Å; F422-R425 CarbonylContact O-C 3.54Å; F422-R425 WeakPolarHBondContact O-CA 3.37Å; F422-R425 WeakPolarHBondContact O-CB 3.44Å; F422-R425 PolarHBondContact O-N 3.42Å; I423-R425 PolarHBondContact O-N 3.17Å; R425-K427 PolarHBondContact O-N 3.44Å
426	G	76.5	Confident	88	Confident	71 Å²	71	70.3 Å²	70.3	73%	0.732	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	21.5	-174.9	0	0	0	0	0	114.1	F422 I423 D424	F422-G426 PolarHBondContact O-N 2.98Å; I423-G426 WeakPolarHBondContact O-CA 3.4Å; I423-G426 PolarHBondContact O-N 2.9Å; D424-G426 VanDerWaalsContact C-N 3.35Å
427	K	82.9	Confident	88	Confident	136 Å²	136	65.8 Å²	65.8	59%	0.591	33%	0.327	S	S	*	.			trans	-110.4	147.7	-179.6	-66.8	-172.1	-179.7	-173.8	0	110.9	F422 R425	F422-K427 CarbonylContact C-O 3.4Å; F422-K427 HydrophobicContact CD1-CB 4.49Å; F422-K427 PolarHBondContact O-N 3.09Å; F422-K427 VanDerWaalsContact O-O 3.14Å; R425-K427 PolarHBondContact O-N 3.44Å
428	D	79.6	Confident	88.1	Confident	95 Å²	95	71.7 Å²	71.7	51%	0.508	35%	0.345	S	S	.	.			trans	-69.6	148.6	169.7	-163.4	21.1	0	0	0	111.1	K130	K130-D428 VanDerWaalsContact NZ-CG 3.28Å; K130-D428 IonicContact NZ-OD1 3.13Å; K130-D428 PolarHBondContact NZ-OD1 2.88Å; K130-D428 IonicContact NZ-OD2 3.34Å; K130-D428 PolarHBondContact NZ-OD2 3.32Å; K130-D428 VanDerWaalsContact NZ-OD2 3.13Å
429	F	85.8	Confident	88.2	Confident	5 Å²	5	71 Å²	71	2%	0.022	34%	0.344	C	S	.	.			trans	-107.7	140.1	-179.9	66.2	-87.9	0	0	0	111.6	Y84 L86 K130 Y418 A419 F422 I423 L431	Y84-F429 AromaticContact CD1-CE1 3.95Å; Y84-F429 HydrophobicContact CD1-CE1 3.95Å; Y84-F429 HydrophobicContact CE1-CE1 4.45Å; Y84-F429 HydrophobicContact CG-CE1 4.31Å; L86-F429 HydrophobicContact CD1-CE2 4.23Å; L86-F429 HydrophobicContact CD1-CZ 4.1Å; L86-F429 HydrophobicContact CD2-CZ 4.25Å; L86-F429 HydrophobicContact CG-CZ 4.48Å; K130-F429 HydrophobicContact CD-CZ 4.48Å; K130-F429 PolarHBondContact NZ-O 2.99Å; Y418-F429 HydrophobicContact CE1-CB 4.28Å; A419-F429 HydrophobicContact CB-CD1 4.02Å; A419-F429 HydrophobicContact CB-CD2 4.11Å; A419-F429 HydrophobicContact CB-CE1 3.92Å; A419-F429 HydrophobicContact CB-CE2 4.01Å; A419-F429 HydrophobicContact CB-CG 4.12Å; A419-F429 HydrophobicContact CB-CZ 3.91Å; F422-F429 HydrophobicContact CB-CB 3.77Å; F422-F429 HydrophobicContact CD2-CB 4.29Å; F422-F429 HydrophobicContact CG-CB 3.95Å; I423-F429 HydrophobicContact CD1-CD1 4.48Å; I423-F429 HydrophobicContact CD1-CE1 4.2Å; I423-F429 HydrophobicContact CG1-CD1 4.3Å; I423-F429 HydrophobicContact CG1-CE1 4.45Å; F429-L431 HydrophobicContact CE2-CD1 4.37Å
430	N	88.3	Confident	88.3	Confident	79 Å²	79	71 Å²	71	42%	0.422	34%	0.344	S	S	.	.			trans	-79.3	121	169.9	-174.2	-28.6	0	0	0	109.7	E432 L433 A434	N430-E432 PolarHBondContact OD1-N 2.71Å; N430-L433 HydrophobicContact CB-CB 4.42Å; N430-L433 HydrophobicContact CB-CD1 4.14Å; N430-L433 HydrophobicContact CB-CG 4.27Å; N430-A434 PolarHBondContact O-N 2.9Å
431	L	86.8	Confident	88.5	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.016	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-38.2	-178.1	-177	66.4	0	0	0	112.8	L86 I128 H144 F429 L433 A434 I435	L86-L431 HydrophobicContact CD1-CD1 4.3Å; L86-L431 HydrophobicContact CD2-CD1 4.23Å; I128-L431 HydrophobicContact CB-CD2 3.83Å; I128-L431 HydrophobicContact CD1-CD2 3.86Å; I128-L431 HydrophobicContact CD1-CG 4.32Å; I128-L431 HydrophobicContact CG1-CD2 4.43Å; I128-L431 HydrophobicContact CG2-CD1 4.47Å; I128-L431 HydrophobicContact CG2-CD2 3.68Å; H144-L431 HydrophobicContact CB-CD2 4.18Å; F429-L431 HydrophobicContact CE2-CD1 4.37Å; L431-L433 VanDerWaalsContact C-N 3.31Å; L431-L433 PolarHBondContact O-N 2.89Å; L431-A434 VanDerWaalsContact O-CB 3.31Å; L431-A434 WeakPolarHBondContact O-CB 3.48Å; L431-A434 PolarHBondContact O-N 3.43Å; L431-A434 VanDerWaalsContact O-N 3.09Å; L431-I435 HydrophobicContact CG-CD1 4.35Å; L431-I435 WeakPolarHBondContact O-CG1 3.44Å; L431-I435 PolarHBondContact O-N 3.39Å
432	E	88.5	Confident	88.7	Confident	126 Å²	126	68.2 Å²	68.2	59%	0.589	34%	0.338	S	S	*	.	H	α-helix	trans	-64.6	-37.8	-178.7	-63.6	-174.3	174.9	0	0	111.6	N430 A434 I435	N430-E432 PolarHBondContact OD1-N 2.71Å; E432-A434 VanDerWaalsContact C-N 3.31Å; E432-A434 PolarHBondContact O-N 3.35Å; E432-I435 PolarHBondContact O-N 3.38Å
433	L	90.3	Very high	88.9	Confident	117 Å²	117	66.5 Å²	66.5	61%	0.613	34%	0.335	S	S	*	.	H	α-helix	trans	-72.8	-24.3	175.7	-63.8	-179.5	0	0	0	112.8	Y418 N430 L431 I435	Y418-L433 WeakPolarHBondContact OH-CB 3.49Å; N430-L433 HydrophobicContact CB-CB 4.42Å; N430-L433 HydrophobicContact CB-CD1 4.14Å; N430-L433 HydrophobicContact CB-CG 4.27Å; L431-L433 VanDerWaalsContact C-N 3.31Å; L431-L433 PolarHBondContact O-N 2.89Å; L433-I435 VanDerWaalsContact C-N 3.32Å
434	A	90.9	Very high	89.3	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-70.9	-30.4	176.5	0	0	0	0	0	111.9	I415 Y418 N430 L431 E432 K436	I415-A434 HydrophobicContact CG1-CB 4.5Å; I415-A434 HydrophobicContact CG2-CB 4.34Å; Y418-A434 HydrophobicContact CD1-CB 3.34Å; Y418-A434 HydrophobicContact CE1-CB 3.8Å; Y418-A434 HydrophobicContact CG-CB 3.96Å; N430-A434 PolarHBondContact O-N 2.9Å; L431-A434 VanDerWaalsContact O-CB 3.31Å; L431-A434 WeakPolarHBondContact O-CB 3.48Å; L431-A434 PolarHBondContact O-N 3.43Å; L431-A434 VanDerWaalsContact O-N 3.09Å; E432-A434 VanDerWaalsContact C-N 3.31Å; E432-A434 PolarHBondContact O-N 3.35Å; A434-K436 PolarHBondContact O-N 3.43Å
435	I	93.7	Very high	89.8	Confident	11 Å²	11	64.7 Å²	64.7	6%	0.056	32%	0.323	C	S	.	.			trans	-80.9	105.9	-175.1	-64.1	166.6	0	0	0	110.2	I128 T147 I149 L411 I415 L431 E432 L433 T437	I128-I435 HydrophobicContact CD1-CD1 3.58Å; T147-I435 HydrophobicContact CG2-CD1 3.43Å; T147-I435 VanDerWaalsContact CG2-CD1 3.43Å; I149-I435 HydrophobicContact CB-CG2 4.46Å; I149-I435 HydrophobicContact CG2-CD1 4.42Å; I149-I435 HydrophobicContact CG2-CG2 4.05Å; L411-I435 HydrophobicContact CD1-CG2 4.39Å; I415-I435 HydrophobicContact CD1-CG1 3.96Å; I415-I435 HydrophobicContact CG1-CG1 4.39Å; L431-I435 HydrophobicContact CG-CD1 4.35Å; L431-I435 WeakPolarHBondContact O-CG1 3.44Å; L431-I435 PolarHBondContact O-N 3.39Å; E432-I435 PolarHBondContact O-N 3.38Å; L433-I435 VanDerWaalsContact C-N 3.32Å; I435-T437 HydrophobicContact CG2-CG2 4.1Å; I435-T437 PolarHBondContact O-N 2.9Å; I435-T437 VanDerWaalsContact O-N 3.14Å
436	K	94.3	Very high	90.2	Very high	101 Å²	101	60 Å²	60	44%	0.439	31%	0.306	S	S	.	.			trans	-84.1	85.7	174.1	-67.5	-177.4	-178.3	173.3	0	111.4	L411 E414 A434 R438 I439	L411-K436 HydrophobicContact CD1-CB 4.42Å; E414-K436 HydrophobicContact CB-CD 4.41Å; E414-K436 IonicContact OE2-NZ 2.92Å; E414-K436 PolarHBondContact OE2-NZ 3.46Å; A434-K436 PolarHBondContact O-N 3.43Å; K436-R438 PolarHBondContact O-N 3.01Å; K436-I439 HydrophobicContact CB-CD1 3.75Å; K436-I439 HydrophobicContact CB-CG1 4.04Å; K436-I439 HydrophobicContact CD-CD1 4.36Å; K436-I439 PolarHBondContact O-N 3.49Å; K436-I439 VanDerWaalsContact O-N 3.1Å
437	T	94.3	Very high	90.9	Very high	42 Å²	42	56.7 Å²	56.7	26%	0.258	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.7	-177.2	59.7	0	0	0	0	115.3	F148 I149 I435 I439 S441	F148-T437 HydrophobicContact CD1-CG2 3.63Å; F148-T437 HydrophobicContact CE1-CG2 3.74Å; I149-T437 WeakPolarHBondContact O-CA 3.49Å; I435-T437 HydrophobicContact CG2-CG2 4.1Å; I435-T437 PolarHBondContact O-N 2.9Å; I435-T437 VanDerWaalsContact O-N 3.14Å; T437-I439 VanDerWaalsContact C-N 3.29Å; T437-I439 PolarHBondContact O-N 2.92Å; T437-S441 WeakPolarHBondContact O-CB 3.27Å; T437-S441 PolarHBondContact O-N 3.46Å; T437-S441 PolarHBondContact O-OG 2.87Å
438	R	94	Very high	91.4	Very high	191 Å²	191	50.2 Å²	50.2	72%	0.721	24%	0.244	S	C	*	.	H	α-helix	trans	-64	-29.4	177.3	-67.8	-171.6	-175.6	-171	-0	113.4	K436 I440 D442	K436-R438 PolarHBondContact O-N 3.01Å; R438-I440 VanDerWaalsContact C-N 3.35Å; R438-I440 PolarHBondContact O-N 2.89Å; R438-D442 WeakPolarHBondContact CB-OD2 3.49Å; R438-D442 VanDerWaalsContact O-CB 3.28Å; R438-D442 WeakPolarHBondContact O-CB 3.44Å; R438-D442 PolarHBondContact O-N 3.24Å
439	I	93.4	Very high	92	Very high	34 Å²	34	47 Å²	47	17%	0.174	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-46.3	-176.2	-64.5	175	0	0	0	111.1	N410 L411 E414 K436 T437 G443	N410-I439 HydrophobicContact CB-CG2 4.43Å; L411-I439 HydrophobicContact CD1-CD1 4.22Å; E414-I439 HydrophobicContact CB-CD1 4.17Å; E414-I439 HydrophobicContact CG-CD1 3.81Å; K436-I439 HydrophobicContact CB-CD1 3.75Å; K436-I439 HydrophobicContact CB-CG1 4.04Å; K436-I439 HydrophobicContact CD-CD1 4.36Å; K436-I439 PolarHBondContact O-N 3.49Å; K436-I439 VanDerWaalsContact O-N 3.1Å; T437-I439 VanDerWaalsContact C-N 3.29Å; T437-I439 PolarHBondContact O-N 2.92Å; I439-G443 WeakPolarHBondContact O-CA 3.38Å; I439-G443 PolarHBondContact O-N 2.92Å
440	I	93.9	Very high	92.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-78	-50.4	179.2	-62.3	176.1	0	0	0	110	F404 M407 F408 L411 R438 G443 L444	F404-I440 HydrophobicContact CD2-CG2 4.27Å; F404-I440 HydrophobicContact CE2-CD1 4.2Å; F404-I440 HydrophobicContact CE2-CG2 4.07Å; M407-I440 HydrophobicContact CB-CG1 4.41Å; F408-I440 HydrophobicContact CD2-CD1 4.32Å; L411-I440 HydrophobicContact CD2-CD1 3.72Å; L411-I440 HydrophobicContact CD2-CG1 4.43Å; R438-I440 VanDerWaalsContact C-N 3.35Å; R438-I440 PolarHBondContact O-N 2.89Å; I440-G443 PolarHBondContact O-N 3.24Å; I440-L444 HydrophobicContact CG2-CD1 4Å; I440-L444 WeakPolarHBondContact O-CG 3.41Å; I440-L444 PolarHBondContact O-N 3.03Å
441	S	94.1	Very high	92.2	Very high	22 Å²	22	46 Å²	46	15%	0.154	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-51.5	-172.3	-49	0	0	0	0	112.4	G150 K151 T437 K445	G150-S441 VanDerWaalsContact CA-OG 3.28Å; G150-S441 WeakPolarHBondContact CA-OG 3.44Å; K151-S441 PolarHBondContact N-OG 3.3Å; T437-S441 WeakPolarHBondContact O-CB 3.27Å; T437-S441 PolarHBondContact O-N 3.46Å; T437-S441 PolarHBondContact O-OG 2.87Å; S441-K445 VanDerWaalsContact O-CB 3.22Å; S441-K445 WeakPolarHBondContact O-CB 3.35Å; S441-K445 PolarHBondContact O-N 3.42Å
442	D	93.2	Very high	92.2	Very high	84 Å²	84	47.9 Å²	47.9	45%	0.449	24%	0.238	S	C	.	.	H	α-helix	trans	-77.5	-31.3	-179	-63.3	-31.7	0	0	0	111.2	R438 Y446	R438-D442 WeakPolarHBondContact CB-OD2 3.49Å; R438-D442 VanDerWaalsContact O-CB 3.28Å; R438-D442 WeakPolarHBondContact O-CB 3.44Å; R438-D442 PolarHBondContact O-N 3.24Å; D442-Y446 WeakPolarHBondContact O-CB 3.17Å; D442-Y446 PolarHBondContact O-N 2.97Å
443	G	92.3	Very high	92	Very high	15 Å²	15	42.5 Å²	42.5	16%	0.155	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-54.8	175.7	0	0	0	0	0	112.2	M407 I439 I440 Y446 S447	M407-G443 WeakPolarHBondContact CE-O 3.47Å; I439-G443 WeakPolarHBondContact O-CA 3.38Å; I439-G443 PolarHBondContact O-N 2.92Å; I440-G443 PolarHBondContact O-N 3.24Å; G443-Y446 PolarHBondContact O-N 2.97Å; G443-S447 PolarHBondContact O-N 3.2Å; G443-S447 PolarHBondContact O-OG 3.07Å
444	L	93.7	Very high	91.5	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-43.5	178.2	-69.7	176.6	0	0	0	111.4	I152 P153 L400 L403 M407 I440 Y446 S447 L448	I152-L444 HydrophobicContact CG1-CD1 4.18Å; P153-L444 HydrophobicContact CG-CB 4.34Å; L400-L444 HydrophobicContact CD2-CD2 4.48Å; L403-L444 HydrophobicContact CB-CD2 4.15Å; M407-L444 HydrophobicContact CE-CD2 4.23Å; M407-L444 HydrophobicContact SD-CD2 3.92Å; M407-L444 HydrophobicContact SD-CG 3.86Å; I440-L444 HydrophobicContact CG2-CD1 4Å; I440-L444 WeakPolarHBondContact O-CG 3.41Å; I440-L444 PolarHBondContact O-N 3.03Å; L444-Y446 VanDerWaalsContact C-N 3.32Å; L444-Y446 PolarHBondContact O-N 2.85Å; L444-S447 PolarHBondContact O-N 3.25Å; L444-L448 WeakPolarHBondContact O-CB 3.08Å; L444-L448 VanDerWaalsContact O-CG 3.32Å; L444-L448 WeakPolarHBondContact O-CG 3.23Å; L444-L448 PolarHBondContact O-N 2.97Å
445	K	94.3	Very high	90.6	Very high	42 Å²	42	42.5 Å²	42.5	18%	0.183	22%	0.218	C	C	.	.	H	α-helix	trans	-56.4	-45.3	175.9	-177.7	179.5	-179	172.7	0	111.5	T119 I187 N188 S441 A449	T119-K445 WeakPolarHBondContact OG1-CE 3.35Å; I187-K445 HydrophobicContact CG2-CG 3.97Å; N188-K445 WeakPolarHBondContact OD1-CE 3.37Å; N188-K445 PolarHBondContact OD1-NZ 3.11Å; S441-K445 VanDerWaalsContact O-CB 3.22Å; S441-K445 WeakPolarHBondContact O-CB 3.35Å; S441-K445 PolarHBondContact O-N 3.42Å; K445-A449 WeakPolarHBondContact O-CB 3.34Å; K445-A449 PolarHBondContact O-N 3.41Å
446	Y	93	Very high	89.7	Confident	82 Å²	82	45.6 Å²	45.6	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-67.3	-49.2	-179.3	175.4	-93	0	0	0	112.6	D442 G443 L444 L448 A449 T450 V456	D442-Y446 WeakPolarHBondContact O-CB 3.17Å; D442-Y446 PolarHBondContact O-N 2.97Å; G443-Y446 PolarHBondContact O-N 2.97Å; L444-Y446 VanDerWaalsContact C-N 3.32Å; L444-Y446 PolarHBondContact O-N 2.85Å; Y446-L448 VanDerWaalsContact C-N 3.33Å; Y446-L448 PolarHBondContact O-N 2.9Å; Y446-A449 PolarHBondContact O-N 3.15Å; Y446-T450 HydrophobicContact CD2-CG2 3.93Å; Y446-T450 HydrophobicContact CE1-CG2 4.4Å; Y446-T450 HydrophobicContact CE2-CG2 3.61Å; Y446-T450 HydrophobicContact CG-CG2 4.46Å; Y446-T450 WeakPolarHBondContact O-CB 3.34Å; Y446-T450 WeakPolarHBondContact O-CG2 3.45Å; Y446-T450 PolarHBondContact O-N 3.25Å; Y446-T450 PolarHBondContact O-OG1 3.07Å; Y446-V456 HydrophobicContact CD1-CG2 3.58Å; Y446-V456 HydrophobicContact CE1-CB 4.15Å; Y446-V456 HydrophobicContact CE1-CG1 3.85Å; Y446-V456 HydrophobicContact CE1-CG2 3.58Å; Y446-V456 HydrophobicContact CE2-CG1 4.44Å; Y446-V456 HydrophobicContact CG-CG2 4.35Å
447	S	91.9	Very high	88.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-41.2	-179.3	-70.1	0	0	0	0	111.8	G443 L444 G451 N452	G443-S447 PolarHBondContact O-N 3.2Å; G443-S447 PolarHBondContact O-OG 3.07Å; L444-S447 PolarHBondContact O-N 3.25Å; S447-G451 WeakPolarHBondContact O-CA 3.42Å; S447-G451 PolarHBondContact O-N 3.19Å; S447-N452 WeakPolarHBondContact CB-O 3.05Å; S447-N452 PolarHBondContact OG-O 2.94Å
448	L	92.8	Very high	87.8	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-70.2	-38.3	175.8	-69.1	173.8	0	0	0	113.1	P153 I187 L194 L400 L444 Y446 W453 S467	P153-L448 HydrophobicContact CB-CD1 3.84Å; P153-L448 HydrophobicContact CG-CD1 3.76Å; I187-L448 HydrophobicContact CD1-CB 4.36Å; I187-L448 HydrophobicContact CD1-CD1 4.01Å; I187-L448 HydrophobicContact CG1-CB 4.08Å; L194-L448 HydrophobicContact CD1-CD2 4.14Å; L194-L448 HydrophobicContact CD2-CD2 3.69Å; L194-L448 HydrophobicContact CG-CD2 4.27Å; L400-L448 HydrophobicContact CD2-CD2 4.32Å; L444-L448 WeakPolarHBondContact O-CB 3.08Å; L444-L448 VanDerWaalsContact O-CG 3.32Å; L444-L448 WeakPolarHBondContact O-CG 3.23Å; L444-L448 PolarHBondContact O-N 2.97Å; Y446-L448 VanDerWaalsContact C-N 3.33Å; Y446-L448 PolarHBondContact O-N 2.9Å; L448-W453 HydrophobicContact CD2-CH2 3.56Å; L448-W453 HydrophobicContact CD2-CZ3 3.96Å; L448-S467 VanDerWaalsContact O-CB 3.32Å; L448-S467 WeakPolarHBondContact O-CB 3.5Å; L448-S467 PolarHBondContact O-OG 2.85Å
449	A	92.8	Very high	86.1	Confident	27 Å²	27	46 Å²	46	22%	0.223	25%	0.245	C	C	.	.	H	α-helix	trans	-69.3	-45	-179.4	0	0	0	0	0	112.3	I187 K192 K445 Y446	I187-A449 HydrophobicContact CG2-CB 3.99Å; K192-A449 PolarHBondContact NZ-O 2.86Å; K445-A449 WeakPolarHBondContact O-CB 3.34Å; K445-A449 PolarHBondContact O-N 3.41Å; Y446-A449 PolarHBondContact O-N 3.15Å
450	T	90	Very high	84.6	Confident	64 Å²	64	53.5 Å²	53.5	39%	0.393	28%	0.279	S	S	.	.	H	α-helix	trans	-87.2	-26.9	-174.7	61.1	0	0	0	0	113.5	Y446 N452	Y446-T450 HydrophobicContact CD2-CG2 3.93Å; Y446-T450 HydrophobicContact CE1-CG2 4.4Å; Y446-T450 HydrophobicContact CE2-CG2 3.61Å; Y446-T450 HydrophobicContact CG-CG2 4.46Å; Y446-T450 WeakPolarHBondContact O-CB 3.34Å; Y446-T450 WeakPolarHBondContact O-CG2 3.45Å; Y446-T450 PolarHBondContact O-N 3.25Å; Y446-T450 PolarHBondContact O-OG1 3.07Å; T450-N452 VanDerWaalsContact C-N 3.31Å; T450-N452 PolarHBondContact OG1-N 2.91Å
451	G	88.1	Confident	83.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.315	C	S	.	.			trans	78.5	13.8	-172.9	0	0	0	0	0	114.5	S447 G465	S447-G451 WeakPolarHBondContact O-CA 3.42Å; S447-G451 PolarHBondContact O-N 3.19Å; G451-G465 PolarHBondContact O-N 2.91Å; G451-G465 VanDerWaalsContact O-N 3.09Å
452	N	87.4	Confident	81.9	Confident	42 Å²	42	61 Å²	61	23%	0.225	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113.1	172.8	-66.4	-32.9	0	0	0	110.1	S447 T450 G454 A462	S447-N452 WeakPolarHBondContact CB-O 3.05Å; S447-N452 PolarHBondContact OG-O 2.94Å; T450-N452 VanDerWaalsContact C-N 3.31Å; T450-N452 PolarHBondContact OG1-N 2.91Å; N452-G454 PolarHBondContact O-N 3.28Å; N452-A462 HydrophobicContact CB-CB 4.5Å
453	W	84.7	Confident	81.1	Confident	12 Å²	12	63.5 Å²	63.5	5%	0.045	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	95	-175.6	-130.6	-104.2	0	0	0	111.4	L194 L399 L400 L403 L448 A462 R463 V466	L194-W453 HydrophobicContact CD1-CH2 3.78Å; L194-W453 HydrophobicContact CD1-CZ2 4.19Å; L194-W453 HydrophobicContact CD2-CH2 3.34Å; L194-W453 HydrophobicContact CD2-CZ2 4.35Å; L194-W453 HydrophobicContact CD2-CZ3 3.65Å; L194-W453 HydrophobicContact CG-CH2 4.22Å; L399-W453 HydrophobicContact CB-CZ2 3.77Å; L399-W453 PolarHBondContact O-NE1 3.45Å; L400-W453 HydrophobicContact CD2-CH2 4.43Å; L400-W453 HydrophobicContact CD2-CZ2 4.27Å; L403-W453 HydrophobicContact CD1-CD2 3.72Å; L403-W453 HydrophobicContact CD1-CE3 4.18Å; L403-W453 HydrophobicContact CD1-CG 4.24Å; L403-W453 HydrophobicContact CD1-CH2 3.93Å; L403-W453 HydrophobicContact CD1-CZ2 3.44Å; L403-W453 VanDerWaalsContact CD1-CZ2 3.44Å; L403-W453 HydrophobicContact CD1-CZ3 4.27Å; L403-W453 HydrophobicContact CD2-CD2 4.5Å; L403-W453 HydrophobicContact CD2-CG 4.17Å; L403-W453 HydrophobicContact CG-CD2 4.28Å; L403-W453 HydrophobicContact CG-CG 4.33Å; L403-W453 HydrophobicContact CG-CZ2 4.23Å; L448-W453 HydrophobicContact CD2-CH2 3.56Å; L448-W453 HydrophobicContact CD2-CZ3 3.96Å; W453-A462 WeakPolarHBondContact O-CB 3.41Å; W453-R463 HydrophobicContact CB-CB 4.33Å; W453-R463 PolarHBondContact N-O 2.85Å; W453-V466 HydrophobicContact CB-CG2 4.11Å; W453-V466 HydrophobicContact CD2-CB 4.08Å; W453-V466 HydrophobicContact CD2-CG1 3.85Å; W453-V466 HydrophobicContact CD2-CG2 4.45Å; W453-V466 HydrophobicContact CE3-CB 3.79Å; W453-V466 HydrophobicContact CE3-CG1 3.81Å; W453-V466 HydrophobicContact CG-CB 4.45Å; W453-V466 HydrophobicContact CG-CG1 4.41Å; W453-V466 HydrophobicContact CG-CG2 4.31Å; W453-V466 HydrophobicContact CH2-CG1 4.39Å; W453-V466 HydrophobicContact CZ2-CG1 4.44Å; W453-V466 HydrophobicContact CZ3-CB 4.36Å; W453-V466 HydrophobicContact CZ3-CG1 4.09Å
454	G	77.9	Confident	80.5	Confident	23 Å²	23	66.2 Å²	66.2	24%	0.237	34%	0.339	C	S	.	.	S	Bend	trans	148.2	-162.2	178.7	0	0	0	0	0	114.3	N452 V456	N452-G454 PolarHBondContact O-N 3.28Å; G454-V456 PolarHBondContact O-N 2.65Å
455	D	73.8	Confident	79.8	Confident	96 Å²	96	67.5 Å²	67.5	51%	0.513	35%	0.353	S	S	.	.			trans	-66.2	127.4	177.6	-176.1	1.2	0	0	0	111	K457 K458 A459	D455-K457 PolarHBondContact O-N 3.18Å; D455-K457 PolarHBondContact OD1-N 3.49Å; D455-K458 CarbonylContact O-C 3.58Å; D455-K458 PolarHBondContact O-N 3.4Å; D455-A459 PolarHBondContact O-N 3.11Å
456	V	74.1	Confident	79.5	Confident	76 Å²	76	65.5 Å²	65.5	46%	0.461	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-54.1	-37	177.8	-174.4	0	0	0	0	111.2	Y446 G454 K458 A459	Y446-V456 HydrophobicContact CD1-CG2 3.58Å; Y446-V456 HydrophobicContact CE1-CB 4.15Å; Y446-V456 HydrophobicContact CE1-CG1 3.85Å; Y446-V456 HydrophobicContact CE1-CG2 3.58Å; Y446-V456 HydrophobicContact CE2-CG1 4.44Å; Y446-V456 HydrophobicContact CG-CG2 4.35Å; G454-V456 PolarHBondContact O-N 2.65Å; V456-K458 PolarHBondContact O-N 3.25Å; V456-A459 PolarHBondContact O-N 3Å
457	K	74	Confident	79.5	Confident	190 Å²	190	62 Å²	62	83%	0.826	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-69.1	-21	-179.4	-65.4	-178.7	179.9	178.8	0	113.2	D455	D455-K457 PolarHBondContact O-N 3.18Å; D455-K457 PolarHBondContact OD1-N 3.49Å
458	K	73.6	Confident	79.6	Confident	126 Å²	126	64.2 Å²	64.2	55%	0.548	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-116.7	36.2	178.6	-63.3	-175	-178.8	179.9	0	111.7	D455 V456 H460 Q461 A462	D455-K458 CarbonylContact O-C 3.58Å; D455-K458 PolarHBondContact O-N 3.4Å; V456-K458 PolarHBondContact O-N 3.25Å; K458-H460 PolarHBondContact O-N 2.91Å; K458-Q461 PolarHBondContact O-N 2.92Å; K458-A462 PolarHBondContact O-N 2.91Å
459	A	59.9	Low	79.8	Confident	26 Å²	26	68.3 Å²	68.3	22%	0.215	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.4	-175.7	0	0	0	0	0	114.2	D455 V456 Q461 A462	D455-A459 PolarHBondContact O-N 3.11Å; V456-A459 PolarHBondContact O-N 3Å; A459-Q461 VanDerWaalsContact C-N 3.3Å; A459-Q461 PolarHBondContact O-N 2.89Å; A459-A462 WeakPolarHBondContact O-CB 3.5Å; A459-A462 PolarHBondContact O-N 3.27Å
460	H	60.4	Low	80	Confident	192 Å²	192	67.5 Å²	67.5	89%	0.889	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.9	178.9	-46.5	-47.5	0	0	0	114.2	K458	K458-H460 PolarHBondContact O-N 2.91Å
461	Q	67.1	Low	80.2	Confident	159 Å²	159	67 Å²	67	74%	0.743	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-12	176.9	-65.1	179.8	-13.4	0	0	112.1	K458 A459	K458-Q461 PolarHBondContact O-N 2.92Å; A459-Q461 VanDerWaalsContact C-N 3.3Å; A459-Q461 PolarHBondContact O-N 2.89Å
462	A	64.9	Low	80.5	Confident	19 Å²	19	68.3 Å²	68.3	16%	0.157	36%	0.359	C	S	.	.	S	Bend	trans	-70	146.7	179.3	0	0	0	0	0	110.7	N452 W453 K458 A459 A464	N452-A462 HydrophobicContact CB-CB 4.5Å; W453-A462 WeakPolarHBondContact O-CB 3.41Å; K458-A462 PolarHBondContact O-N 2.91Å; A459-A462 WeakPolarHBondContact O-CB 3.5Å; A459-A462 PolarHBondContact O-N 3.27Å; A462-A464 PolarHBondContact O-N 2.79Å; A462-A464 VanDerWaalsContact O-N 3.09Å
463	R	76.4	Confident	80.9	Confident	138 Å²	138	67 Å²	67	52%	0.521	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	113.4	173.1	-64.3	-179.4	-174.2	173.7	1.9	108	W453 V466	W453-R463 HydrophobicContact CB-CB 4.33Å; W453-R463 PolarHBondContact N-O 2.85Å; R463-V466 HydrophobicContact CB-CG2 4.1Å
464	A	79.3	Confident	81.4	Confident	72 Å²	72	66.5 Å²	66.5	60%	0.595	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	148.8	179.9	0	0	0	0	0	111.3	A462	A462-A464 PolarHBondContact O-N 2.79Å; A462-A464 VanDerWaalsContact O-N 3.09Å
465	G	79.1	Confident	82.2	Confident	29 Å²	29	65.9 Å²	65.9	30%	0.299	34%	0.341	S	S	.	.	S	Bend	trans	82.1	15.8	172.2	0	0	0	0	0	115.3	G451 Q468	G451-G465 PolarHBondContact O-N 2.91Å; G451-G465 VanDerWaalsContact O-N 3.09Å; G465-Q468 PolarHBondContact O-NE2 3.15Å
466	V	88.1	Confident	83.2	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	32%	0.319	C	S	.	.	S	Bend	trans	-70	-45.7	174.7	-179.6	0	0	0	0	110.9	I195 Q197 L399 W453 R463	I195-V466 PolarHBondContact N-O 3.23Å; Q197-V466 HydrophobicContact CG-CG1 4.4Å; Q197-V466 HydrophobicContact CG-CG2 4.38Å; L399-V466 HydrophobicContact CD1-CG1 3.73Å; L399-V466 HydrophobicContact CD2-CG1 4.42Å; W453-V466 HydrophobicContact CB-CG2 4.11Å; W453-V466 HydrophobicContact CD2-CB 4.08Å; W453-V466 HydrophobicContact CD2-CG1 3.85Å; W453-V466 HydrophobicContact CD2-CG2 4.45Å; W453-V466 HydrophobicContact CE3-CB 3.79Å; W453-V466 HydrophobicContact CE3-CG1 3.81Å; W453-V466 HydrophobicContact CG-CB 4.45Å; W453-V466 HydrophobicContact CG-CG1 4.41Å; W453-V466 HydrophobicContact CG-CG2 4.31Å; W453-V466 HydrophobicContact CH2-CG1 4.39Å; W453-V466 HydrophobicContact CZ2-CG1 4.44Å; W453-V466 HydrophobicContact CZ3-CB 4.36Å; W453-V466 HydrophobicContact CZ3-CG1 4.09Å; R463-V466 HydrophobicContact CB-CG2 4.1Å
467	S	93.8	Very high	84.3	Confident	8 Å²	8	58.1 Å²	58.1	6%	0.056	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.8	170.8	-179.1	0	0	0	0	110.4	V193 L448	V193-S467 WeakPolarHBondContact O-CA 3.46Å; L448-S467 VanDerWaalsContact O-CB 3.32Å; L448-S467 WeakPolarHBondContact O-CB 3.5Å; L448-S467 PolarHBondContact O-OG 2.85Å
468	Q	93.9	Very high	85.4	Confident	48 Å²	48	49 Å²	49	22%	0.224	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.2	179.2	-61.5	-177.5	12.3	0	0	110.2	K192 V193 I195 G465 L470 H481	K192-Q468 CarbonylContact C-O 3.57Å; K192-Q468 WeakPolarHBondContact CA-O 3.21Å; V193-Q468 HydrophobicContact CG1-CB 4.41Å; V193-Q468 PolarHBondContact N-O 3.48Å; V193-Q468 PolarHBondContact O-N 2.86Å; I195-Q468 HydrophobicContact CG1-CG 4.06Å; G465-Q468 PolarHBondContact O-NE2 3.15Å; Q468-L470 PolarHBondContact O-N 2.6Å; Q468-H481 PolarHBondContact OE1-NE2 3.3Å
469	V	96.3	Very high	86.5	Confident	86 Å²	86	43.1 Å²	43.1	52%	0.521	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.1	170.9	179.5	0	0	0	0	108.3	E191 K192 H481	E191-V469 WeakPolarHBondContact O-CA 3.31Å; K192-V469 HydrophobicContact CD-CG2 4.23Å; V469-H481 PolarHBondContact O-CE1 2.73Å
470	L	96.6	Very high	88.2	Confident	10 Å²	10	41.9 Å²	41.9	5%	0.052	22%	0.222	C	C	.	.			trans	-59.4	138.8	-179.8	-175.8	60.2	0	0	0	110.4	Y184 E191 V193 Q468 R472 T478 H481 L482	Y184-L470 HydrophobicContact CD1-CD2 3.76Å; Y184-L470 HydrophobicContact CD2-CD2 4.15Å; Y184-L470 HydrophobicContact CE1-CD2 4.12Å; Y184-L470 HydrophobicContact CE2-CD2 4.44Å; Y184-L470 HydrophobicContact CG-CD2 3.79Å; E191-L470 HydrophobicContact CB-CB 3.95Å; E191-L470 HydrophobicContact CB-CD2 4.39Å; E191-L470 PolarHBondContact O-N 3.1Å; V193-L470 HydrophobicContact CB-CD1 4.26Å; V193-L470 HydrophobicContact CG1-CB 4.46Å; V193-L470 HydrophobicContact CG1-CD1 4.15Å; Q468-L470 PolarHBondContact O-N 2.6Å; L470-R472 HydrophobicContact CG-CG 4.42Å; L470-T478 HydrophobicContact CD1-CG2 4.11Å; L470-T478 HydrophobicContact CD2-CG2 4.08Å; L470-T478 HydrophobicContact CG-CG2 4.29Å; L470-H481 HydrophobicContact CD1-CB 4.16Å; L470-L482 HydrophobicContact CD1-CD2 4.24Å; L470-L482 HydrophobicContact CD1-CG 4.15Å
471	N	95.4	Very high	90	Very high	55 Å²	55	33.1 Å²	33.1	29%	0.294	18%	0.181	S	C	.	.			trans	-93.6	110.2	-178.7	-172.5	-2.6	0	0	0	108.7	L473 S477 T478 H481	N471-L473 PolarHBondContact OD1-N 3.14Å; N471-S477 VanDerWaalsContact CG-OG 3.28Å; N471-S477 PolarHBondContact ND2-OG 3.37Å; N471-T478 WeakPolarHBondContact O-CA 3.41Å; N471-T478 PolarHBondContact O-N 2.87Å; N471-T478 PolarHBondContact O-OG1 3.46Å; N471-H481 WeakPolarHBondContact CB-ND1 3.06Å; N471-H481 PolarHBondContact N-ND1 2.85Å; N471-H481 VanDerWaalsContact N-ND1 3.11Å
472	R	94	Very high	91.4	Very high	27 Å²	27	25.6 Å²	25.6	10%	0.102	15%	0.146	C	C	.	.			trans	-105.4	25.2	-175.4	-70.2	-68.5	-165.3	175.2	2.4	113.4	D180 Y184 E191 L470 Y736	D180-R472 IonicContact OD1-CZ 3.82Å; D180-R472 VanDerWaalsContact OD1-CZ 3.31Å; D180-R472 IonicContact OD1-NH1 3.33Å; D180-R472 PolarHBondContact OD1-NH1 2.82Å; D180-R472 IonicContact OD1-NH2 3.46Å; D180-R472 PolarHBondContact OD1-NH2 2.84Å; D180-R472 IonicContact OD2-NH2 3.11Å; D180-R472 PolarHBondContact OD2-NH2 2.81Å; Y184-R472 PolarHBondContact OH-NH2 2.8Å; E191-R472 IonicContact OE1-NH2 2.85Å; E191-R472 WeakPolarHBondContact OE2-CG 3.4Å; E191-R472 IonicContact OE2-CZ 2.97Å; E191-R472 IonicContact OE2-NE 3.77Å; E191-R472 PolarHBondContact OE2-NE 3.32Å; E191-R472 IonicContact OE2-NH2 2.81Å; L470-R472 HydrophobicContact CG-CG 4.42Å; R472-Y736 HydrophobicContact CB-CD2 4.27Å; R472-Y736 HydrophobicContact CB-CE2 4.49Å; R472-Y736 WeakPolarHBondContact O-CB 3.01Å; R472-Y736 WeakPolarHBondContact O-CD2 3.39Å
473	L	94.5	Very high	92.9	Very high	13 Å²	13	25 Å²	25	7%	0.068	14%	0.14	C	C	.	.	S	Bend	trans	-67	-41.5	-179.9	-170.2	72.9	0	0	0	112.8	N471 K730 Q731 A732 H749 K1052	N471-L473 PolarHBondContact OD1-N 3.14Å; L473-K730 VanDerWaalsContact CD2-O 3.29Å; L473-K730 WeakPolarHBondContact CD2-O 3.35Å; L473-Q731 VanDerWaalsContact CD2-CA 3.47Å; L473-Q731 WeakPolarHBondContact CD2-O 3.47Å; L473-A732 WeakPolarHBondContact CD2-O 3.43Å; L473-H749 HydrophobicContact CD1-CB 4.49Å; L473-K1052 HydrophobicContact CD1-CB 4.29Å; L473-K1052 HydrophobicContact CD1-CD 4.3Å; L473-K1052 HydrophobicContact CD2-CB 4.26Å; L473-K1052 HydrophobicContact CD2-CD 3.82Å; L473-K1052 HydrophobicContact CD2-CG 4.24Å
474	T	95.3	Very high	93.9	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.018	12%	0.122	C	C	.	.	S	Bend	trans	-145	161.1	175.9	52.5	0	0	0	0	109.4	A476 S477 T478 A732 A774	T474-A476 VanDerWaalsContact C-N 3.34Å; T474-A476 PolarHBondContact O-N 3.47Å; T474-S477 WeakPolarHBondContact O-CB 3.22Å; T474-S477 PolarHBondContact O-N 3.18Å; T474-S477 VanDerWaalsContact O-N 3.11Å; T474-S477 WeakPolarHBondContact OG1-CB 3.36Å; T474-S477 PolarHBondContact OG1-N 3.39Å; T474-T478 PolarHBondContact O-N 3.21Å; T474-T478 VanDerWaalsContact O-N 3.12Å; T474-T478 PolarHBondContact O-OG1 3.28Å; T474-A732 WeakPolarHBondContact CG2-O 3.49Å; T474-A774 HydrophobicContact CG2-CB 4.02Å
475	F	96.5	Very high	94.6	Very high	10 Å²	10	16.9 Å²	16.9	4%	0.044	9%	0.094	C	C	.	.	H	α-helix	trans	-56.9	-46.5	176.4	-169.7	-112	0	0	0	112.2	L179 S477 T478 L479 L767 R768 L772	L179-F475 HydrophobicContact CB-CE2 4.37Å; L179-F475 HydrophobicContact CB-CZ 4.45Å; L179-F475 VanDerWaalsContact O-CE2 3.22Å; L179-F475 WeakPolarHBondContact O-CE2 3.29Å; L179-F475 WeakPolarHBondContact O-CZ 3.39Å; F475-S477 VanDerWaalsContact C-N 3.29Å; F475-S477 PolarHBondContact O-N 3.14Å; F475-T478 WeakPolarHBondContact O-CB 3.32Å; F475-T478 PolarHBondContact O-N 3.04Å; F475-T478 VanDerWaalsContact O-N 3.12Å; F475-L479 HydrophobicContact CD1-CD1 3.84Å; F475-L479 HydrophobicContact CD1-CG 4.48Å; F475-L479 HydrophobicContact CE1-CD1 3.5Å; F475-L479 VanDerWaalsContact CE1-CD1 3.5Å; F475-L479 HydrophobicContact CE1-CG 4.17Å; F475-L479 HydrophobicContact CZ-CD1 4.11Å; F475-L479 HydrophobicContact CZ-CD2 4.47Å; F475-L479 HydrophobicContact CZ-CG 4.36Å; F475-L479 PolarHBondContact O-N 3.21Å; F475-L767 VanDerWaalsContact CE1-O 3.24Å; F475-L767 WeakPolarHBondContact CE1-O 3.48Å; F475-R768 HydrophobicContact CE1-CB 4.04Å; F475-L772 HydrophobicContact CB-CB 4.21Å; F475-L772 HydrophobicContact CB-CD1 4.23Å; F475-L772 HydrophobicContact CD2-CD1 3.88Å; F475-L772 HydrophobicContact CE2-CD1 4.44Å; F475-L772 HydrophobicContact CG-CD1 4.02Å
476	A	94.8	Very high	95.3	Very high	8 Å²	8	16.4 Å²	16.4	7%	0.066	8%	0.084	C	C	.	.	H	α-helix	trans	-60.6	-35.8	176	0	0	0	0	0	113.2	T474 T478 S480	T474-A476 VanDerWaalsContact C-N 3.34Å; T474-A476 PolarHBondContact O-N 3.47Å; A476-T478 VanDerWaalsContact C-N 3.35Å; A476-S480 VanDerWaalsContact O-CB 3.24Å; A476-S480 WeakPolarHBondContact O-CB 3.26Å; A476-S480 PolarHBondContact O-N 2.87Å
477	S	95.7	Very high	95.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.2	-38.1	176.4	-167.5	0	0	0	0	111.8	N471 T474 F475 H481 K730	N471-S477 VanDerWaalsContact CG-OG 3.28Å; N471-S477 PolarHBondContact ND2-OG 3.37Å; T474-S477 WeakPolarHBondContact O-CB 3.22Å; T474-S477 PolarHBondContact O-N 3.18Å; T474-S477 VanDerWaalsContact O-N 3.11Å; T474-S477 WeakPolarHBondContact OG1-CB 3.36Å; T474-S477 PolarHBondContact OG1-N 3.39Å; F475-S477 VanDerWaalsContact C-N 3.29Å; F475-S477 PolarHBondContact O-N 3.14Å; S477-H481 VanDerWaalsContact O-CB 3.31Å; S477-H481 WeakPolarHBondContact O-CB 3.24Å; S477-H481 PolarHBondContact O-N 2.88Å; S477-K730 PolarHBondContact OG-O 2.93Å
478	T	97.2	Very high	95	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-51.8	175.1	-59.5	0	0	0	0	111.3	P181 L470 N471 T474 F475 A476 S480 H481 L482	P181-T478 HydrophobicContact CG-CG2 4.47Å; L470-T478 HydrophobicContact CD1-CG2 4.11Å; L470-T478 HydrophobicContact CD2-CG2 4.08Å; L470-T478 HydrophobicContact CG-CG2 4.29Å; N471-T478 WeakPolarHBondContact O-CA 3.41Å; N471-T478 PolarHBondContact O-N 2.87Å; N471-T478 PolarHBondContact O-OG1 3.46Å; T474-T478 PolarHBondContact O-N 3.21Å; T474-T478 VanDerWaalsContact O-N 3.12Å; T474-T478 PolarHBondContact O-OG1 3.28Å; F475-T478 WeakPolarHBondContact O-CB 3.32Å; F475-T478 PolarHBondContact O-N 3.04Å; F475-T478 VanDerWaalsContact O-N 3.12Å; A476-T478 VanDerWaalsContact C-N 3.35Å; T478-S480 PolarHBondContact O-N 3.15Å; T478-H481 PolarHBondContact O-N 2.95Å; T478-H481 VanDerWaalsContact O-N 3.12Å; T478-L482 HydrophobicContact CG2-CD1 3.99Å; T478-L482 WeakPolarHBondContact O-CG 3.45Å; T478-L482 PolarHBondContact O-N 3.43Å
479	L	96.5	Very high	94.5	Very high	2 Å²	2	21 Å²	21	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-58.6	-47.9	178.2	-69.9	174.8	0	0	0	111.9	L39 V40 P181 F475 H481 L482 R483 V706 L767	L39-L479 HydrophobicContact CB-CD2 4.21Å; L39-L479 HydrophobicContact CD1-CD1 3.81Å; L39-L479 HydrophobicContact CD1-CD2 3.96Å; V40-L479 HydrophobicContact CG1-CD2 4.45Å; P181-L479 HydrophobicContact CB-CD2 4.07Å; P181-L479 HydrophobicContact CG-CD2 3.91Å; F475-L479 HydrophobicContact CD1-CD1 3.84Å; F475-L479 HydrophobicContact CD1-CG 4.48Å; F475-L479 HydrophobicContact CE1-CD1 3.5Å; F475-L479 VanDerWaalsContact CE1-CD1 3.5Å; F475-L479 HydrophobicContact CE1-CG 4.17Å; F475-L479 HydrophobicContact CZ-CD1 4.11Å; F475-L479 HydrophobicContact CZ-CD2 4.47Å; F475-L479 HydrophobicContact CZ-CG 4.36Å; F475-L479 PolarHBondContact O-N 3.21Å; L479-H481 VanDerWaalsContact C-N 3.27Å; L479-H481 PolarHBondContact O-N 3.08Å; L479-L482 PolarHBondContact O-N 2.89Å; L479-R483 WeakPolarHBondContact O-CG 3.42Å; L479-R483 PolarHBondContact O-N 3.28Å; L479-V706 HydrophobicContact CB-CG1 3.96Å; L479-V706 HydrophobicContact CB-CG2 4.49Å; L479-V706 HydrophobicContact CD1-CG1 4.45Å; L479-L767 HydrophobicContact CD1-CD2 4.38Å
480	S	96.9	Very high	93.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-35.1	176.4	174	0	0	0	0	112.6	A476 T478 R484 E513 N525 K730	A476-S480 VanDerWaalsContact O-CB 3.24Å; A476-S480 WeakPolarHBondContact O-CB 3.26Å; A476-S480 PolarHBondContact O-N 2.87Å; T478-S480 PolarHBondContact O-N 3.15Å; S480-R484 PolarHBondContact O-N 2.79Å; S480-E513 PolarHBondContact OG-OE1 2.88Å; S480-N525 PolarHBondContact O-OD1 3.25Å; S480-K730 WeakPolarHBondContact OG-CE 2.93Å; S480-K730 PolarHBondContact OG-NZ 2.85Å
481	H	97.4	Very high	92.9	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.032	14%	0.136	C	C	.	.	H	α-helix	trans	-70.5	-38.9	178.3	-158	169.9	0	0	0	112.3	Q468 V469 L470 N471 S477 T478 L479 R483 R484	Q468-H481 PolarHBondContact OE1-NE2 3.3Å; V469-H481 PolarHBondContact O-CE1 2.73Å; L470-H481 HydrophobicContact CD1-CB 4.16Å; N471-H481 WeakPolarHBondContact CB-ND1 3.06Å; N471-H481 PolarHBondContact N-ND1 2.85Å; N471-H481 VanDerWaalsContact N-ND1 3.11Å; S477-H481 VanDerWaalsContact O-CB 3.31Å; S477-H481 WeakPolarHBondContact O-CB 3.24Å; S477-H481 PolarHBondContact O-N 2.88Å; T478-H481 PolarHBondContact O-N 2.95Å; T478-H481 VanDerWaalsContact O-N 3.12Å; L479-H481 VanDerWaalsContact C-N 3.27Å; L479-H481 PolarHBondContact O-N 3.08Å; H481-R483 VanDerWaalsContact C-N 3.28Å; H481-R483 PolarHBondContact O-N 3.41Å; H481-R484 PolarHBondContact CD2-NH1 2.76Å; H481-R484 PolarHBondContact CD2-NH2 3.14Å; H481-R484 PolarHBondContact NE2-NH1 3.01Å; H481-R484 WeakPolarHBondContact O-CB 3.45Å; H481-R484 PolarHBondContact O-N 3.22Å
482	L	96.8	Very high	92	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-68	-27.5	178.7	-69.1	162.5	0	0	0	112.7	V40 Q43 P181 G183 V193 L470 T478 L479	V40-L482 HydrophobicContact CG1-CB 3.87Å; V40-L482 HydrophobicContact CG1-CD1 3.84Å; V40-L482 HydrophobicContact CG1-CG 4.44Å; Q43-L482 PolarHBondContact NE2-O 2.63Å; Q43-L482 VanDerWaalsContact NE2-O 3.1Å; P181-L482 HydrophobicContact CB-CD1 4.41Å; P181-L482 HydrophobicContact CG-CD1 3.69Å; G183-L482 WeakPolarHBondContact O-CD2 3.23Å; V193-L482 HydrophobicContact CB-CD2 4.34Å; V193-L482 HydrophobicContact CG2-CD2 3.67Å; L470-L482 HydrophobicContact CD1-CD2 4.24Å; L470-L482 HydrophobicContact CD1-CG 4.15Å; T478-L482 HydrophobicContact CG2-CD1 3.99Å; T478-L482 WeakPolarHBondContact O-CG 3.45Å; T478-L482 PolarHBondContact O-N 3.43Å; L479-L482 PolarHBondContact O-N 2.89Å
483	R	96.3	Very high	91.1	Very high	8 Å²	8	30 Å²	30	3%	0.03	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	16.7	179.1	-57.9	-168.1	77.1	173.9	5.7	114.3	L39 L479 H481 L526 A527 L528 A530	L39-R483 VanDerWaalsContact O-CD 3.26Å; L39-R483 WeakPolarHBondContact O-CD 3.42Å; L39-R483 PolarHBondContact O-NE 3.07Å; L479-R483 WeakPolarHBondContact O-CG 3.42Å; L479-R483 PolarHBondContact O-N 3.28Å; H481-R483 VanDerWaalsContact C-N 3.28Å; H481-R483 PolarHBondContact O-N 3.41Å; R483-L526 HydrophobicContact CB-CB 4.36Å; R483-L526 HydrophobicContact CB-CD1 4.42Å; R483-L526 WeakPolarHBondContact O-CG 3.41Å; R483-L526 PolarHBondContact O-N 2.81Å; R483-L526 VanDerWaalsContact O-N 3.1Å; R483-A527 VanDerWaalsContact CZ-O 3.28Å; R483-A527 PolarHBondContact NH2-O 3.36Å; R483-L528 PolarHBondContact NH1-O 3.49Å; R483-L528 PolarHBondContact NH2-O 3.32Å; R483-A530 PolarHBondContact NH2-O 2.89Å
484	R	96.7	Very high	90.1	Very high	39 Å²	39	39.3 Å²	39.3	15%	0.147	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	140.9	-178.2	-174.5	-179.1	-65.6	156.9	12.6	111.9	I195 A196 S480 H481 V523 N525	I195-R484 HydrophobicContact CD1-CB 4.3Å; I195-R484 HydrophobicContact CG2-CB 4.26Å; I195-R484 HydrophobicContact CG2-CG 4.02Å; I195-R484 WeakPolarHBondContact CG2-O 3.4Å; A196-R484 PolarHBondContact N-O 3.28Å; S480-R484 PolarHBondContact O-N 2.79Å; H481-R484 PolarHBondContact CD2-NH1 2.76Å; H481-R484 PolarHBondContact CD2-NH2 3.14Å; H481-R484 PolarHBondContact NE2-NH1 3.01Å; H481-R484 WeakPolarHBondContact O-CB 3.45Å; H481-R484 PolarHBondContact O-N 3.22Å; R484-V523 VanDerWaalsContact CD-CG1 3.49Å; R484-V523 HydrophobicContact CG-CG1 3.65Å; R484-N525 WeakPolarHBondContact CA-OD1 3.34Å
485	V	95.1	Very high	89.5	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.6	173.2	-177.8	0	0	0	0	109.7	A196 E198 L393 K524 L526	A196-V485 HydrophobicContact CB-CG2 4.12Å; E198-V485 HydrophobicContact CB-CG1 4.4Å; L393-V485 HydrophobicContact CD1-CG2 4.24Å; L393-V485 HydrophobicContact CD2-CG1 3.53Å; V485-K524 HydrophobicContact CB-CB 4.41Å; V485-K524 PolarHBondContact N-O 2.69Å; V485-K524 PolarHBondContact O-N 2.77Å; V485-L526 HydrophobicContact CG2-CD2 3.82Å; V485-L526 HydrophobicContact CG2-CG 4.06Å
486	N	94.2	Very high	88.9	Confident	18 Å²	18	47.1 Å²	47.1	10%	0.096	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.3	179.2	-179.9	66.3	0	0	0	111.3	I195 A196 Q197 E198	I195-N486 HydrophobicContact CG2-CB 3.76Å; A196-N486 PolarHBondContact O-N 3.49Å; Q197-N486 PolarHBondContact OE1-ND2 2.78Å; E198-N486 PolarHBondContact N-O 3.06Å
487	S	91.1	Very high	88.6	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.028	29%	0.29	C	S	.	.			trans	-84.1	125.4	168.8	-44.6	0	0	0	0	109.9	E198 I489 L522	E198-S487 PolarHBondContact OE2-OG 3.1Å; S487-I489 PolarHBondContact O-N 3.14Å; S487-L522 PolarHBondContact N-O 2.85Å; S487-L522 PolarHBondContact OG-O 2.78Å
488	P	84.6	Confident	88.2	Confident	78 Å²	78	55.1 Å²	55.1	51%	0.506	30%	0.296	S	S	.	.			trans	-77.8	31.9	-170.3	32.7	-37.9	0	0	0	114.3	E198	E198-P488 WeakPolarHBondContact O-CD 3.44Å; E198-P488 WeakPolarHBondContact O-CG 3.44Å
489	I	83.2	Confident	87.9	Confident	71 Å²	71	57.2 Å²	57.2	36%	0.364	30%	0.304	S	S	.	.	S	Bend	trans	-86.4	143.2	179.9	-60.8	174.6	0	0	0	109.7	S487 R491 P498 L522	S487-I489 PolarHBondContact O-N 3.14Å; I489-R491 PolarHBondContact O-N 3.25Å; I489-P498 HydrophobicContact CD1-CB 3.59Å; I489-P498 HydrophobicContact CD1-CG 3.89Å; I489-L522 HydrophobicContact CB-CD2 4.09Å; I489-L522 HydrophobicContact CD1-CD2 4.28Å
490	G	76.9	Confident	87.8	Confident	53 Å²	53	63.2 Å²	63.2	55%	0.546	33%	0.332	S	S	.	.			trans	-56.8	127.4	174.8	0	0	0	0	0	111.7	D492 G493	G490-D492 PolarHBondContact O-N 2.89Å; G490-G493 PolarHBondContact O-N 3.04Å
491	R	81.1	Confident	87.7	Confident	132 Å²	132	68.2 Å²	68.2	50%	0.498	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.3	-173.7	-64.4	-179.6	-179	178.3	0.8	113.5	I489 G493 R499 L522	I489-R491 PolarHBondContact O-N 3.25Å; R491-G493 VanDerWaalsContact C-N 3.31Å; R491-R499 PolarHBondContact O-NH2 3.36Å; R491-L522 HydrophobicContact CG-CD1 4.48Å
492	D	78.1	Confident	87.7	Confident	151 Å²	151	70.1 Å²	70.1	81%	0.807	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-17	-178.3	-54.4	-38.8	0	0	0	112.8	G490 K494	G490-D492 PolarHBondContact O-N 2.89Å; D492-K494 PolarHBondContact O-N 2.94Å
493	G	73.9	Confident	87.6	Confident	33 Å²	33	76.9 Å²	76.9	34%	0.34	40%	0.403	S	S	.	.			trans	-67.9	129.2	179.1	0	0	0	0	0	112.1	G490 R491 L495 R499	G490-G493 PolarHBondContact O-N 3.04Å; R491-G493 VanDerWaalsContact C-N 3.31Å; G493-L495 PolarHBondContact O-N 2.85Å; G493-R499 PolarHBondContact O-NH2 2.93Å
494	K	74.5	Confident	87.7	Confident	208 Å²	208	77.7 Å²	77.7	90%	0.904	41%	0.409	S	S	*	.			trans	-82.7	16.9	176.5	-63.8	-174.1	179.5	-178.8	0	114.1	D492 A496	D492-K494 PolarHBondContact O-N 2.94Å; K494-A496 PolarHBondContact O-N 3.45Å
495	L	81.9	Confident	87.7	Confident	121 Å²	121	76.2 Å²	76.2	63%	0.634	40%	0.404	S	S	*	.			trans	-67.6	114.7	178.2	-73.2	158.9	0	0	0	109.5	G493 P498 R499	G493-L495 PolarHBondContact O-N 2.85Å; L495-P498 HydrophobicContact CB-CG 4.19Å; L495-R499 WeakPolarHBondContact O-CD 3.49Å
496	A	84.4	Confident	87.8	Confident	56 Å²	56	81 Å²	81	46%	0.463	42%	0.422	S	S	.	.			trans	-78.6	-42.6	-175.1	0	0	0	0	0	113.1	K494 R499 Q500	K494-A496 PolarHBondContact O-N 3.45Å; A496-R499 WeakPolarHBondContact O-CA 3.42Å; A496-R499 WeakPolarHBondContact O-CB 3.48Å; A496-R499 PolarHBondContact O-N 2.78Å; A496-Q500 PolarHBondContact O-N 3.24Å; A496-Q500 VanDerWaalsContact O-N 3.13Å
497	K	87.6	Confident	87.8	Confident	155 Å²	155	80.4 Å²	80.4	67%	0.674	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-48.8	-53.4	-174.9	-71.3	-164.6	169.9	-160.9	0	114.9	D386 R499 Q500	D386-K497 WeakPolarHBondContact OD2-CB 3.28Å; K497-R499 PolarHBondContact O-N 3.09Å; K497-Q500 PolarHBondContact O-N 3.41Å; K497-Q500 VanDerWaalsContact O-N 3.1Å
498	P	88.3	Confident	88.1	Confident	21 Å²	21	80.2 Å²	80.2	14%	0.136	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-70	-8.1	-179.3	28.9	-37.2	0	0	0	114.3	I489 L495	I489-P498 HydrophobicContact CD1-CB 3.59Å; I489-P498 HydrophobicContact CD1-CG 3.89Å; L495-P498 HydrophobicContact CB-CG 4.19Å
499	R	91	Very high	88.7	Confident	43 Å²	43	76.7 Å²	76.7	16%	0.162	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-98.9	-16.6	177.2	-58.5	175.8	178.2	-92.6	9.8	112.6	R491 G493 L495 A496 K497 H518 V520 G521 L522	R491-R499 PolarHBondContact O-NH2 3.36Å; G493-R499 PolarHBondContact O-NH2 2.93Å; L495-R499 WeakPolarHBondContact O-CD 3.49Å; A496-R499 WeakPolarHBondContact O-CA 3.42Å; A496-R499 WeakPolarHBondContact O-CB 3.48Å; A496-R499 PolarHBondContact O-N 2.78Å; K497-R499 PolarHBondContact O-N 3.09Å; R499-H518 PolarHBondContact NH1-O 3.28Å; R499-H518 PolarHBondContact NH2-O 2.96Å; R499-V520 WeakPolarHBondContact CG-O 3.44Å; R499-V520 PolarHBondContact NH1-O 3.27Å; R499-V520 VanDerWaalsContact NH1-O 3.09Å; R499-G521 WeakPolarHBondContact O-CA 3.33Å; R499-L522 HydrophobicContact CG-CD2 4.04Å; R499-L522 HydrophobicContact CG-CG 4.26Å
500	Q	93.3	Very high	89.4	Confident	129 Å²	129	73.6 Å²	73.6	60%	0.603	38%	0.381	S	S	*	.	S	Bend	trans	-72	152	177.4	-73.2	172.4	-15	0	0	110	A496 K497 H502	A496-Q500 PolarHBondContact O-N 3.24Å; A496-Q500 VanDerWaalsContact O-N 3.13Å; K497-Q500 PolarHBondContact O-N 3.41Å; K497-Q500 VanDerWaalsContact O-N 3.1Å; Q500-H502 PolarHBondContact O-N 2.81Å
501	L	95.4	Very high	90.3	Very high	105 Å²	105	73.8 Å²	73.8	55%	0.55	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-72.3	119.6	171.5	-170.6	74.6	0	0	0	108	L505 P511	L501-L505 HydrophobicContact CD1-CB 4.37Å; L501-L505 HydrophobicContact CD1-CD1 3.64Å; L501-L505 HydrophobicContact CG-CD1 4.37Å; L501-P511 HydrophobicContact CD1-CB 4.42Å; L501-P511 HydrophobicContact CD2-CB 3.83Å
502	H	96.7	Very high	90.9	Very high	46 Å²	46	67.8 Å²	67.8	21%	0.213	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-92.2	148.6	176	-169.1	-92.6	0	0	0	110.3	D384 H387 Q500 T504 L505	D384-H502 IonicContact OD2-CD2 3.14Å; D384-H502 IonicContact OD2-NE2 2.77Å; D384-H502 PolarHBondContact OD2-NE2 3.37Å; H387-H502 AromaticContact CD2-CE1 3.91Å; Q500-H502 PolarHBondContact O-N 2.81Å; H502-T504 VanDerWaalsContact C-N 3.27Å; H502-T504 PolarHBondContact CE1-OG1 2.87Å; H502-T504 PolarHBondContact ND1-N 3.05Å; H502-T504 PolarHBondContact ND1-OG1 3.17Å; H502-T504 PolarHBondContact O-N 3.12Å; H502-L505 HydrophobicContact CB-CD1 4.34Å; H502-L505 HydrophobicContact CB-CG 4.34Å; H502-L505 VanDerWaalsContact O-CB 3.31Å; H502-L505 WeakPolarHBondContact O-CB 3.28Å; H502-L505 WeakPolarHBondContact O-CG 3.35Å; H502-L505 PolarHBondContact O-N 2.83Å; H502-L505 VanDerWaalsContact O-N 3.14Å
503	N	96.4	Very high	91.8	Very high	143 Å²	143	60.7 Å²	60.7	77%	0.765	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-61.9	-34.9	-174.8	-63.9	-8.5	0	0	0	112.6	L505 W506	N503-L505 PolarHBondContact O-N 2.97Å; N503-W506 WeakPolarHBondContact O-CB 3.18Å; N503-W506 PolarHBondContact O-N 2.93Å; N503-W506 VanDerWaalsContact O-N 3.09Å
504	T	96.9	Very high	92.8	Very high	25 Å²	25	60.4 Å²	60.4	15%	0.153	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-74.2	9.5	179.2	59.6	0	0	0	0	115.1	H387 Y388 H502 W506	H387-T504 WeakPolarHBondContact NE2-CG2 3.4Å; Y388-T504 PolarHBondContact N-OG1 2.78Å; Y388-T504 VanDerWaalsContact N-OG1 3.13Å; H502-T504 VanDerWaalsContact C-N 3.27Å; H502-T504 PolarHBondContact CE1-OG1 2.87Å; H502-T504 PolarHBondContact ND1-N 3.05Å; H502-T504 PolarHBondContact ND1-OG1 3.17Å; H502-T504 PolarHBondContact O-N 3.12Å; T504-W506 VanDerWaalsContact C-N 3.35Å
505	L	96.8	Very high	93.6	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.042	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-86.4	-9.6	167.2	-61.5	176	0	0	0	112.3	Y388 L501 H502 N503 G507 M508 V509	Y388-L505 HydrophobicContact CD1-CD2 4.25Å; Y388-L505 HydrophobicContact CD2-CD2 3.6Å; Y388-L505 HydrophobicContact CE2-CD2 3.94Å; Y388-L505 HydrophobicContact CG-CD2 3.77Å; L501-L505 HydrophobicContact CD1-CB 4.37Å; L501-L505 HydrophobicContact CD1-CD1 3.64Å; L501-L505 HydrophobicContact CG-CD1 4.37Å; H502-L505 HydrophobicContact CB-CD1 4.34Å; H502-L505 HydrophobicContact CB-CG 4.34Å; H502-L505 VanDerWaalsContact O-CB 3.31Å; H502-L505 WeakPolarHBondContact O-CB 3.28Å; H502-L505 WeakPolarHBondContact O-CG 3.35Å; H502-L505 PolarHBondContact O-N 2.83Å; H502-L505 VanDerWaalsContact O-N 3.14Å; N503-L505 PolarHBondContact O-N 2.97Å; L505-G507 PolarHBondContact O-N 2.67Å; L505-M508 PolarHBondContact O-N 2.83Å; L505-V509 HydrophobicContact CB-CB 4.21Å; L505-V509 HydrophobicContact CD2-CB 4.01Å; L505-V509 HydrophobicContact CD2-CG2 3.95Å; L505-V509 PolarHBondContact O-N 2.95Å
506	W	97.2	Very high	93.9	Very high	100 Å²	100	50.9 Å²	50.9	38%	0.379	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	128.4	176.4	-177.7	-93.8	0	0	0	111.3	N503 T504 M508 M677 E697 I703	N503-W506 WeakPolarHBondContact O-CB 3.18Å; N503-W506 PolarHBondContact O-N 2.93Å; N503-W506 VanDerWaalsContact O-N 3.09Å; T504-W506 VanDerWaalsContact C-N 3.35Å; W506-M508 PolarHBondContact O-N 2.87Å; W506-M677 HydrophobicContact CH2-CE 4.33Å; W506-M677 HydrophobicContact CZ2-CE 3.91Å; W506-M677 HydrophobicContact CZ2-SD 4.19Å; W506-E697 PolarHBondContact NE1-OE1 2.8Å; W506-I703 HydrophobicContact CD2-CG2 4.19Å; W506-I703 HydrophobicContact CE3-CD1 4.32Å; W506-I703 HydrophobicContact CH2-CD1 3.61Å; W506-I703 HydrophobicContact CH2-CG2 4.28Å; W506-I703 HydrophobicContact CZ2-CD1 4.24Å; W506-I703 HydrophobicContact CZ2-CG2 3.85Å; W506-I703 HydrophobicContact CZ3-CD1 3.66Å
507	G	94.8	Very high	94.1	Very high	6 Å²	6	50.7 Å²	50.7	6%	0.062	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	-11.3	-177.9	0	0	0	0	0	116.3	L505 A527	L505-G507 PolarHBondContact O-N 2.67Å; G507-A527 WeakPolarHBondContact O-CB 3.34Å
508	M	96.8	Very high	94.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-46.9	-174.5	-58.2	-58	179	0	0	112.5	L505 W506 A527 A530 I621 R623 T667	L505-M508 PolarHBondContact O-N 2.83Å; W506-M508 PolarHBondContact O-N 2.87Å; M508-A527 PolarHBondContact O-N 2.8Å; M508-A530 VanDerWaalsContact O-CB 3.25Å; M508-A530 WeakPolarHBondContact O-CB 3.41Å; M508-I621 HydrophobicContact CB-CD1 3.79Å; M508-I621 HydrophobicContact CB-CG1 4.08Å; M508-I621 HydrophobicContact CB-CG2 4.33Å; M508-I621 HydrophobicContact CG-CG1 4.4Å; M508-I621 HydrophobicContact CG-CG2 4.25Å; M508-I621 HydrophobicContact SD-CB 4.46Å; M508-I621 HydrophobicContact SD-CG1 3.86Å; M508-I621 HydrophobicContact SD-CG2 4.22Å; M508-R623 HydrophobicContact CE-CB 4.32Å; M508-R623 HydrophobicContact CE-CG 3.82Å; M508-R623 HydrophobicContact SD-CB 4.2Å; M508-R623 HydrophobicContact SD-CG 4.29Å; M508-T667 HydrophobicContact CE-CG2 3.7Å; M508-T667 HydrophobicContact CG-CG2 3.61Å; M508-T667 HydrophobicContact SD-CG2 4.2Å
509	V	97.2	Very high	94.2	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.03	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-128.8	140	-177	172	0	0	0	0	108.9	Y388 L505 K524 N525 I621	Y388-V509 HydrophobicContact CE1-CG2 4.43Å; L505-V509 HydrophobicContact CB-CB 4.21Å; L505-V509 HydrophobicContact CD2-CB 4.01Å; L505-V509 HydrophobicContact CD2-CG2 3.95Å; L505-V509 PolarHBondContact O-N 2.95Å; V509-K524 HydrophobicContact CG1-CB 3.78Å; V509-K524 HydrophobicContact CG1-CD 4.36Å; V509-K524 HydrophobicContact CG1-CG 4.33Å; V509-N525 WeakPolarHBondContact CG1-O 3.32Å; V509-I621 HydrophobicContact CG2-CD1 4.47Å
510	C	97.4	Very high	94.3	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.041	28%	0.28	C	S	.	.			trans	-62.5	129.3	-179.7	-179	0	0	0	0	111.5	A512 E513 N525 G705	C510-A512 VanDerWaalsContact C-N 3.34Å; C510-A512 PolarHBondContact O-N 2.98Å; C510-E513 HydrophobicContact CB-CB 3.79Å; C510-E513 WeakPolarHBondContact SG-CB 3.42Å; C510-E513 PolarHBondContact SG-N 2.85Å; C510-E513 VanDerWaalsContact SG-N 3.4Å; C510-N525 PolarHBondContact N-O 3.02Å; C510-G705 PolarHBondContact SG-N 2.63Å
511	P	95.8	Very high	94.2	Very high	56 Å²	56	45.7 Å²	45.7	36%	0.364	26%	0.256	S	S	.	.	S	Bend	trans	-69.6	-30.4	-178.6	26.6	-35	0	0	0	113.2	L501 I703 L704	L501-P511 HydrophobicContact CD1-CB 4.42Å; L501-P511 HydrophobicContact CD2-CB 3.83Å; P511-I703 WeakPolarHBondContact CD-O 3.25Å; P511-L704 HydrophobicContact CG-CD2 4.48Å
512	A	94.9	Very high	94.1	Very high	7 Å²	7	40.8 Å²	40.8	6%	0.058	23%	0.231	C	C	.	.	S	Bend	trans	-99.6	-22.7	-173.6	0	0	0	0	0	113.7	C510 T514 N722 T723	C510-A512 VanDerWaalsContact C-N 3.34Å; C510-A512 PolarHBondContact O-N 2.98Å; A512-T514 PolarHBondContact O-N 2.81Å; A512-T514 VanDerWaalsContact O-N 3.12Å; A512-N722 HydrophobicContact CB-CB 3.98Å; A512-T723 VanDerWaalsContact O-CA 3.23Å; A512-T723 WeakPolarHBondContact O-CA 3.31Å; A512-T723 WeakPolarHBondContact O-CB 3.35Å; A512-T723 WeakPolarHBondContact O-CG2 3.38Å; A512-T723 PolarHBondContact O-OG1 2.91Å
513	E	95.8	Very high	94	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	22%	0.224	C	C	.	.			trans	-91.9	75.2	-164.7	-158	-168.1	141.3	0	0	113.3	S480 C510 N525 V706 C707 K730	S480-E513 PolarHBondContact OG-OE1 2.88Å; C510-E513 HydrophobicContact CB-CB 3.79Å; C510-E513 WeakPolarHBondContact SG-CB 3.42Å; C510-E513 PolarHBondContact SG-N 2.85Å; C510-E513 VanDerWaalsContact SG-N 3.4Å; E513-N525 HydrophobicContact CB-CB 4.46Å; E513-N525 HydrophobicContact CG-CB 4.37Å; E513-N525 VanDerWaalsContact CG-ND2 3.3Å; E513-N525 WeakPolarHBondContact CG-ND2 3.26Å; E513-N525 PolarHBondContact O-ND2 3.04Å; E513-N525 VanDerWaalsContact OE1-CG 3.26Å; E513-N525 PolarHBondContact OE1-ND2 2.85Å; E513-V706 PolarHBondContact OE2-N 3.41Å; E513-C707 HydrophobicContact CG-CB 4.07Å; E513-C707 PolarHBondContact OE2-N 3.13Å; E513-K730 VanDerWaalsContact OE1-CE 3.29Å; E513-K730 WeakPolarHBondContact OE1-CE 3.37Å; E513-K730 IonicContact OE1-NZ 3.55Å; E513-K730 PolarHBondContact OE1-NZ 2.89Å
514	T	95.1	Very high	93.9	Very high	26 Å²	26	33.3 Å²	33.3	16%	0.16	19%	0.192	C	C	.	.			trans	-128.1	150	174.1	-167.9	0	0	0	0	111.5	A512 V520 G521 V523 T723	A512-T514 PolarHBondContact O-N 2.81Å; A512-T514 VanDerWaalsContact O-N 3.12Å; T514-V520 HydrophobicContact CG2-CG2 4.08Å; T514-G521 PolarHBondContact OG1-N 2.69Å; T514-V523 PolarHBondContact OG1-O 3.5Å; T514-T723 HydrophobicContact CG2-CG2 4.02Å
515	P	92.5	Very high	93.9	Very high	43 Å²	43	32.2 Å²	32.2	28%	0.279	19%	0.185	S	C	.	.			trans	-64	144	176.7	-22.6	34.8	0	0	0	113.3	V523	P515-V523 VanDerWaalsContact CD-O 3.26Å; P515-V523 WeakPolarHBondContact CD-O 3.43Å; P515-V523 HydrophobicContact CG-CB 3.8Å; P515-V523 HydrophobicContact CG-CG1 3.81Å
516	E	87.7	Confident	93.9	Very high	87 Å²	87	32 Å²	32	41%	0.407	18%	0.184	S	C	.	.	S	Bend	trans	-69.2	134.6	167.3	-50.2	177.4	-146.8	0	0	110	Y724 A727	E516-Y724 HydrophobicContact CG-CD1 4.09Å; E516-Y724 HydrophobicContact CG-CE1 4.39Å; E516-A727 HydrophobicContact CG-CB 4.1Å; E516-A727 WeakPolarHBondContact OE1-CB 3.48Å
517	G	88.2	Confident	93.9	Very high	51 Å²	51	27.3 Å²	27.3	53%	0.526	17%	0.166	S	C	.	.	S	Bend	trans	109.7	-148.8	171.5	0	0	0	0	0	115.3	A519 V520	G517-A519 PolarHBondContact O-N 3.38Å; G517-A519 VanDerWaalsContact O-N 3.08Å; G517-V520 WeakPolarHBondContact O-CB 3.47Å; G517-V520 WeakPolarHBondContact O-CG1 3.4Å; G517-V520 PolarHBondContact O-N 2.94Å; G517-V520 VanDerWaalsContact O-N 3.1Å
518	H	87.8	Confident	94	Very high	151 Å²	151	27.1 Å²	27.1	70%	0.699	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-22	-170.6	-66.6	-78.6	0	0	0	115	R499	R499-H518 PolarHBondContact NH1-O 3.28Å; R499-H518 PolarHBondContact NH2-O 2.96Å
519	A	90.3	Very high	93.9	Very high	17 Å²	17	27.5 Å²	27.5	14%	0.14	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	9.7	-179	0	0	0	0	0	113.7	G517 G521 L522 V523	G517-A519 PolarHBondContact O-N 3.38Å; G517-A519 VanDerWaalsContact O-N 3.08Å; A519-G521 PolarHBondContact O-N 3.01Å; A519-L522 PolarHBondContact O-N 3.35Å; A519-V523 HydrophobicContact CB-CG2 4.11Å; A519-V523 PolarHBondContact O-N 2.91Å
520	V	93.8	Very high	93.9	Very high	65 Å²	65	27.4 Å²	27.4	39%	0.394	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	129.5	177.6	66	0	0	0	0	110.7	R499 T514 G517 L522	R499-V520 WeakPolarHBondContact CG-O 3.44Å; R499-V520 PolarHBondContact NH1-O 3.27Å; R499-V520 VanDerWaalsContact NH1-O 3.09Å; T514-V520 HydrophobicContact CG2-CG2 4.08Å; G517-V520 WeakPolarHBondContact O-CB 3.47Å; G517-V520 WeakPolarHBondContact O-CG1 3.4Å; G517-V520 PolarHBondContact O-N 2.94Å; G517-V520 VanDerWaalsContact O-N 3.1Å; V520-L522 PolarHBondContact O-N 2.68Å
521	G	91.2	Very high	93.8	Very high	11 Å²	11	28.2 Å²	28.2	11%	0.113	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-16.2	-179.5	0	0	0	0	0	115.8	R499 T514 A519 K524	R499-G521 WeakPolarHBondContact O-CA 3.33Å; T514-G521 PolarHBondContact OG1-N 2.69Å; A519-G521 PolarHBondContact O-N 3.01Å; G521-K524 WeakPolarHBondContact O-CE 3.5Å
522	L	92.4	Very high	93.8	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-35	177.2	-60.6	-178.2	0	0	0	112.3	S487 I489 R491 R499 A519 V520	S487-L522 PolarHBondContact N-O 2.85Å; S487-L522 PolarHBondContact OG-O 2.78Å; I489-L522 HydrophobicContact CB-CD2 4.09Å; I489-L522 HydrophobicContact CD1-CD2 4.28Å; R491-L522 HydrophobicContact CG-CD1 4.48Å; R499-L522 HydrophobicContact CG-CD2 4.04Å; R499-L522 HydrophobicContact CG-CG 4.26Å; A519-L522 PolarHBondContact O-N 3.35Å; V520-L522 PolarHBondContact O-N 2.68Å
523	V	94.6	Very high	93.8	Very high	13 Å²	13	25.3 Å²	25.3	8%	0.079	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.1	172	176.8	0	0	0	0	107.8	R484 T514 P515 A519	R484-V523 VanDerWaalsContact CD-CG1 3.49Å; R484-V523 HydrophobicContact CG-CG1 3.65Å; T514-V523 PolarHBondContact OG1-O 3.5Å; P515-V523 VanDerWaalsContact CD-O 3.26Å; P515-V523 WeakPolarHBondContact CD-O 3.43Å; P515-V523 HydrophobicContact CG-CB 3.8Å; P515-V523 HydrophobicContact CG-CG1 3.81Å; A519-V523 HydrophobicContact CB-CG2 4.11Å; A519-V523 PolarHBondContact O-N 2.91Å
524	K	95.4	Very high	93.6	Very high	18 Å²	18	27 Å²	27	8%	0.078	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	160.2	-174	-58.9	171.6	-168.5	167.8	0	108.9	E198 V485 V509 G521	E198-K524 IonicContact OE1-NZ 3.81Å; E198-K524 IonicContact OE2-NZ 2.68Å; E198-K524 PolarHBondContact OE2-NZ 3.33Å; V485-K524 HydrophobicContact CB-CB 4.41Å; V485-K524 PolarHBondContact N-O 2.69Å; V485-K524 PolarHBondContact O-N 2.77Å; V509-K524 HydrophobicContact CG1-CB 3.78Å; V509-K524 HydrophobicContact CG1-CD 4.36Å; V509-K524 HydrophobicContact CG1-CG 4.33Å; G521-K524 WeakPolarHBondContact O-CE 3.5Å
525	N	96.8	Very high	93.4	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.2	172.8	-60.4	-62.4	0	0	0	109.6	S480 R484 V509 C510 E513 K730	S480-N525 PolarHBondContact O-OD1 3.25Å; R484-N525 WeakPolarHBondContact CA-OD1 3.34Å; V509-N525 WeakPolarHBondContact CG1-O 3.32Å; C510-N525 PolarHBondContact N-O 3.02Å; E513-N525 HydrophobicContact CB-CB 4.46Å; E513-N525 HydrophobicContact CG-CB 4.37Å; E513-N525 VanDerWaalsContact CG-ND2 3.3Å; E513-N525 WeakPolarHBondContact CG-ND2 3.26Å; E513-N525 PolarHBondContact O-ND2 3.04Å; E513-N525 VanDerWaalsContact OE1-CG 3.26Å; E513-N525 PolarHBondContact OE1-ND2 2.85Å; N525-K730 PolarHBondContact ND2-NZ 2.81Å; N525-K730 VanDerWaalsContact ND2-NZ 3.15Å
526	L	97.1	Very high	93.2	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-61.6	146.6	-179	-61.8	171.3	0	0	0	111.7	Q42 L393 R483 V485 A530 I532 I621	Q42-L526 HydrophobicContact CG-CD1 4.28Å; L393-L526 HydrophobicContact CD1-CD2 4.39Å; R483-L526 HydrophobicContact CB-CB 4.36Å; R483-L526 HydrophobicContact CB-CD1 4.42Å; R483-L526 WeakPolarHBondContact O-CG 3.41Å; R483-L526 PolarHBondContact O-N 2.81Å; R483-L526 VanDerWaalsContact O-N 3.1Å; V485-L526 HydrophobicContact CG2-CD2 3.82Å; V485-L526 HydrophobicContact CG2-CG 4.06Å; L526-A530 HydrophobicContact CB-CB 4.45Å; L526-I532 HydrophobicContact CD1-CD1 3.94Å; L526-I532 HydrophobicContact CD2-CD1 4.31Å; L526-I621 HydrophobicContact CD2-CD1 3.5Å
527	A	97.2	Very high	93.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-68.2	164.7	168.9	0	0	0	0	0	110.8	R483 G507 M508 M529 A530 L704	R483-A527 VanDerWaalsContact CZ-O 3.28Å; R483-A527 PolarHBondContact NH2-O 3.36Å; G507-A527 WeakPolarHBondContact O-CB 3.34Å; M508-A527 PolarHBondContact O-N 2.8Å; A527-M529 PolarHBondContact O-N 2.84Å; A527-A530 HydrophobicContact CB-CB 4.23Å; A527-A530 PolarHBondContact O-N 3.11Å; A527-L704 CarbonylContact C-O 3.56Å; A527-L704 WeakPolarHBondContact CA-O 3.08Å
528	L	95.8	Very high	93.3	Very high	2 Å²	2	26 Å²	26	1%	0.01	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-51.1	-169.8	-83.7	-178.8	0	0	0	113.6	F34 R483 M702 L704 V706 S709 L767	F34-L528 HydrophobicContact CZ-CB 4.1Å; R483-L528 PolarHBondContact NH1-O 3.49Å; R483-L528 PolarHBondContact NH2-O 3.32Å; L528-M702 HydrophobicContact CB-SD 4.12Å; L528-M702 HydrophobicContact CD1-CE 3.95Å; L528-M702 HydrophobicContact CD1-SD 4.1Å; L528-M702 PolarHBondContact N-O 2.96Å; L528-L704 WeakPolarHBondContact CG-O 3.18Å; L528-L704 PolarHBondContact N-O 2.78Å; L528-V706 HydrophobicContact CD2-CG2 4.45Å; L528-S709 VanDerWaalsContact CD1-OG 3.24Å; L528-S709 WeakPolarHBondContact CD1-OG 3.41Å; L528-L767 HydrophobicContact CD2-CD2 4.06Å
529	M	95.8	Very high	93.5	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.039	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	6.7	-178.6	-64.3	-171	83.3	0	0	114.5	I30 Y33 F34 A527 Y531 P624 I698 M702	I30-M529 HydrophobicContact CG1-SD 4.34Å; Y33-M529 HydrophobicContact CD1-CE 3.78Å; Y33-M529 HydrophobicContact CD1-CG 4.35Å; Y33-M529 HydrophobicContact CD2-CE 3.86Å; Y33-M529 HydrophobicContact CE1-CB 4.34Å; Y33-M529 HydrophobicContact CE1-CE 4.2Å; Y33-M529 HydrophobicContact CE1-CG 4.17Å; Y33-M529 HydrophobicContact CE2-CE 4.24Å; Y33-M529 HydrophobicContact CG-CE 3.6Å; Y33-M529 PolarHBondContact OH-O 3.39Å; F34-M529 HydrophobicContact CE2-CG 4.44Å; F34-M529 HydrophobicContact CZ-CG 4.06Å; A527-M529 PolarHBondContact O-N 2.84Å; M529-Y531 PolarHBondContact O-N 3.49Å; M529-P624 HydrophobicContact CB-CG 4.29Å; M529-P624 HydrophobicContact CE-CG 3.47Å; M529-P624 VanDerWaalsContact CE-CG 3.47Å; M529-P624 WeakPolarHBondContact O-CD 3.34Å; M529-P624 HydrophobicContact SD-CG 4.43Å; M529-I698 HydrophobicContact CE-CD1 3.75Å; M529-I698 HydrophobicContact SD-CD1 4.15Å; M529-M702 HydrophobicContact CB-CB 4.48Å; M529-M702 HydrophobicContact CG-CB 3.99Å; M529-M702 HydrophobicContact CG-CG 3.88Å; M529-M702 HydrophobicContact CG-SD 3.68Å; M529-M702 HydrophobicContact SD-CB 4.02Å; M529-M702 HydrophobicContact SD-CG 3.56Å; M529-M702 VanDerWaalsContact SD-CG 3.56Å; M529-M702 HydrophobicContact SD-SD 3.9Å
530	A	96.3	Very high	93.6	Very high	3 Å²	3	23.6 Å²	23.6	3%	0.025	15%	0.145	C	C	.	.			trans	-66.2	125.1	176.8	0	0	0	0	0	110.6	R483 M508 L526 A527 I621	R483-A530 PolarHBondContact NH2-O 2.89Å; M508-A530 VanDerWaalsContact O-CB 3.25Å; M508-A530 WeakPolarHBondContact O-CB 3.41Å; L526-A530 HydrophobicContact CB-CB 4.45Å; A527-A530 HydrophobicContact CB-CB 4.23Å; A527-A530 PolarHBondContact O-N 3.11Å; A530-I621 HydrophobicContact CB-CD1 4.22Å; A530-I621 HydrophobicContact CB-CG1 4.3Å
531	Y	95.7	Very high	93.4	Very high	24 Å²	24	20.8 Å²	20.8	9%	0.094	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	153.2	176.9	-178.8	-105.5	0	0	0	110	M529 E600 I621 C622 Y664	M529-Y531 PolarHBondContact O-N 3.49Å; Y531-E600 HydrophobicContact CE1-CG 4.12Å; Y531-E600 VanDerWaalsContact CE1-OE1 3.25Å; Y531-E600 WeakPolarHBondContact CE1-OE1 3.46Å; Y531-E600 VanDerWaalsContact CZ-OE1 3.31Å; Y531-E600 PolarHBondContact OH-OE1 2.99Å; Y531-I621 WeakPolarHBondContact O-CA 3.16Å; Y531-C622 VanDerWaalsContact CD1-SG 3.59Å; Y531-C622 PolarHBondContact N-O 3.43Å; Y531-C622 PolarHBondContact O-N 3.06Å; Y531-C622 VanDerWaalsContact O-O 3.14Å; Y531-Y664 HydrophobicContact CD1-CD1 4.37Å; Y531-Y664 HydrophobicContact CD1-CE1 4.3Å; Y531-Y664 HydrophobicContact CG-CE1 4.2Å
532	I	96.3	Very high	93.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.2	178.6	-58.6	173.1	0	0	0	108.3	Q42 L393 L395 L526 R620	Q42-I532 HydrophobicContact CB-CB 4.24Å; Q42-I532 HydrophobicContact CB-CD1 4.21Å; Q42-I532 HydrophobicContact CB-CG1 4.42Å; Q42-I532 HydrophobicContact CG-CD1 4.19Å; L393-I532 HydrophobicContact CB-CD1 4.45Å; L393-I532 HydrophobicContact CD1-CD1 3.58Å; L393-I532 HydrophobicContact CD1-CG1 4.2Å; L395-I532 HydrophobicContact CD1-CB 3.93Å; L395-I532 HydrophobicContact CD1-CD1 4.08Å; L395-I532 HydrophobicContact CD1-CG2 3.58Å; L395-I532 HydrophobicContact CD2-CD1 3.86Å; L395-I532 HydrophobicContact CG-CD1 4.36Å; L395-I532 HydrophobicContact CG-CG2 4.27Å; L526-I532 HydrophobicContact CD1-CD1 3.94Å; L526-I532 HydrophobicContact CD2-CD1 4.31Å; I532-R620 CarbonylContact C-O 3.58Å; I532-R620 VanDerWaalsContact CA-O 3.24Å; I532-R620 WeakPolarHBondContact CA-O 3.49Å
533	S	95.1	Very high	93.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	17%	0.166	C	C	.	.			trans	-62.4	138.2	178.2	64.8	0	0	0	0	111.8	E600 D617 G619 R620	S533-E600 WeakPolarHBondContact CA-OE2 3.31Å; S533-D617 PolarHBondContact OG-O 2.99Å; S533-G619 PolarHBondContact O-N 3.2Å; S533-G619 PolarHBondContact OG-N 2.96Å; S533-R620 PolarHBondContact N-O 3.38Å; S533-R620 PolarHBondContact OG-N 3.45Å
534	V	91.9	Very high	93.4	Very high	36 Å²	36	29.3 Å²	29.3	22%	0.218	17%	0.165	C	C	.	.			trans	-86.3	-22.4	169	-67	0	0	0	0	112	D45 E49 E600 A618	D45-V534 HydrophobicContact CB-CG1 3.67Å; E49-V534 HydrophobicContact CB-CB 4.48Å; V534-E600 PolarHBondContact N-OE2 3.33Å; V534-A618 WeakPolarHBondContact O-CB 3.49Å
535	G	89.2	Confident	93.2	Very high	21 Å²	21	28.6 Å²	28.6	22%	0.216	16%	0.162	C	C	.	.			trans	90.4	151.4	177.1	0	0	0	0	0	113	E600 T616	G535-E600 PolarHBondContact N-OE2 3.46Å; G535-T616 WeakPolarHBondContact CA-O 3.45Å
536	S	88	Confident	93	Very high	43 Å²	43	33.5 Å²	33.5	30%	0.301	19%	0.185	S	C	.	.			trans	-141.1	160.6	-176.4	55.1	0	0	0	0	110.8	T616	S536-T616 PolarHBondContact N-O 3.46Å; S536-T616 PolarHBondContact O-OG1 2.8Å
537	Q	88.4	Confident	92.7	Very high	98 Å²	98	41 Å²	41	46%	0.458	22%	0.22	S	C	.	.			trans	-70.6	135.2	179.4	-72.4	-176.4	-32.4	0	0	110.5	R57 S539 P540	R57-Q537 VanDerWaalsContact NH2-CD 3.28Å; Q537-S539 VanDerWaalsContact C-N 3.32Å; Q537-S539 PolarHBondContact O-N 2.76Å; Q537-P540 WeakPolarHBondContact O-CD 3.35Å
538	P	90.9	Very high	92.3	Very high	24 Å²	24	45.8 Å²	45.8	16%	0.156	24%	0.238	C	C	.	.	S	Bend	trans	-78.4	-12.4	179.4	30.7	-35.2	0	0	0	113.7	I541 L542 V569	P538-I541 WeakPolarHBondContact O-CB 3.44Å; P538-I541 PolarHBondContact O-N 3.4Å; P538-L542 PolarHBondContact O-N 2.82Å; P538-V569 HydrophobicContact CB-CG1 3.78Å
539	S	91.3	Very high	92	Very high	61 Å²	61	49.7 Å²	49.7	43%	0.427	27%	0.265	S	S	.	.	H	α-helix	trans	-51.6	-46.9	-173.5	-56.4	0	0	0	0	114.7	Q537 I541 L542 E543	Q537-S539 VanDerWaalsContact C-N 3.32Å; Q537-S539 PolarHBondContact O-N 2.76Å; S539-I541 PolarHBondContact O-N 3.33Å; S539-L542 PolarHBondContact O-N 3.36Å; S539-L542 VanDerWaalsContact O-N 3.14Å; S539-E543 PolarHBondContact O-N 3.3Å
540	P	91.7	Very high	91.8	Very high	58 Å²	58	50.2 Å²	50.2	38%	0.377	27%	0.268	S	S	.	.	H	α-helix	trans	-63.8	-30.4	178.7	-21	34.1	0	0	0	113.2	Q537 F544 I596	Q537-P540 WeakPolarHBondContact O-CD 3.35Å; P540-F544 WeakPolarHBondContact O-CB 3.33Å; P540-F544 PolarHBondContact O-N 3.38Å; P540-F544 VanDerWaalsContact O-N 3.14Å; P540-I596 HydrophobicContact CB-CG2 3.86Å
541	I	91.2	Very high	91.5	Very high	6 Å²	6	53 Å²	53	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-73.2	-38.9	177.4	-56	178.4	0	0	0	110	P538 S539 F544 L545 V601 I614 T616	P538-I541 WeakPolarHBondContact O-CB 3.44Å; P538-I541 PolarHBondContact O-N 3.4Å; S539-I541 PolarHBondContact O-N 3.33Å; I541-F544 PolarHBondContact O-N 2.96Å; I541-L545 HydrophobicContact CG2-CD1 3.83Å; I541-L545 HydrophobicContact CG2-CG 4.27Å; I541-L545 WeakPolarHBondContact O-CB 3.13Å; I541-L545 WeakPolarHBondContact O-CG 3.14Å; I541-L545 PolarHBondContact O-N 3.48Å; I541-V601 HydrophobicContact CD1-CG1 3.9Å; I541-V601 HydrophobicContact CD1-CG2 3.96Å; I541-I614 HydrophobicContact CD1-CG2 4.43Å; I541-I614 HydrophobicContact CG2-CD1 4.38Å; I541-I614 HydrophobicContact CG2-CG2 4.5Å; I541-T616 HydrophobicContact CD1-CG2 3.38Å
542	L	92.5	Very high	91.3	Very high	55 Å²	55	54 Å²	54	29%	0.288	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-45.4	176.7	-64.4	174.1	0	0	0	111.2	P538 S539 F544 L545 E546 V569 V574	P538-L542 PolarHBondContact O-N 2.82Å; S539-L542 PolarHBondContact O-N 3.36Å; S539-L542 VanDerWaalsContact O-N 3.14Å; L542-F544 VanDerWaalsContact C-N 3.33Å; L542-F544 PolarHBondContact O-N 3.19Å; L542-L545 PolarHBondContact O-N 2.6Å; L542-E546 WeakPolarHBondContact O-CG 3.44Å; L542-E546 PolarHBondContact O-N 3.39Å; L542-V569 HydrophobicContact CD2-CB 4.07Å; L542-V569 HydrophobicContact CD2-CG1 4.22Å; L542-V569 HydrophobicContact CD2-CG2 3.88Å; L542-V574 HydrophobicContact CD2-CB 4.31Å; L542-V574 HydrophobicContact CD2-CG1 3.66Å
543	E	92.5	Very high	90.8	Very high	135 Å²	135	54.2 Å²	54.2	63%	0.631	29%	0.289	S	S	*	.	H	α-helix	trans	-58.3	-45.8	175.9	-71.3	176.6	-174.3	0	0	111.4	S539 L545 E546 E547	S539-E543 PolarHBondContact O-N 3.3Å; E543-L545 VanDerWaalsContact C-N 3.35Å; E543-L545 PolarHBondContact O-N 2.67Å; E543-E546 PolarHBondContact O-N 2.95Å; E543-E547 PolarHBondContact O-N 3.04Å; E543-E547 VanDerWaalsContact O-N 3.1Å
544	F	92.1	Very high	90.3	Very high	15 Å²	15	59.3 Å²	59.3	7%	0.066	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-41.3	176.5	176.5	-94.4	0	0	0	112.8	P540 I541 L542 E547 W548 T586 L587 L590 I596	P540-F544 WeakPolarHBondContact O-CB 3.33Å; P540-F544 PolarHBondContact O-N 3.38Å; P540-F544 VanDerWaalsContact O-N 3.14Å; I541-F544 PolarHBondContact O-N 2.96Å; L542-F544 VanDerWaalsContact C-N 3.33Å; L542-F544 PolarHBondContact O-N 3.19Å; F544-E547 PolarHBondContact O-N 3.38Å; F544-W548 AromaticContact CD2-CD1 3.88Å; F544-W548 AromaticContact CE1-CD1 3.6Å; F544-W548 HydrophobicContact CE1-CG 4.18Å; F544-W548 AromaticContact CE2-CD1 3.28Å; F544-W548 HydrophobicContact CE2-CG 4.45Å; F544-W548 AromaticContact CE2-NE1 3.18Å; F544-W548 AromaticContact CZ-CD1 3.1Å; F544-W548 HydrophobicContact CZ-CD2 4.45Å; F544-W548 AromaticContact CZ-CG 3.94Å; F544-W548 HydrophobicContact CZ-CG 3.94Å; F544-W548 AromaticContact CZ-NE1 3.13Å; F544-W548 PolarHBondContact O-N 3.25Å; F544-W548 VanDerWaalsContact O-N 3.12Å; F544-T586 HydrophobicContact CZ-CG2 3.98Å; F544-L587 HydrophobicContact CD1-CD2 3.88Å; F544-L587 HydrophobicContact CE1-CD2 3.55Å; F544-L587 HydrophobicContact CE1-CG 4.4Å; F544-L590 HydrophobicContact CD2-CD1 4.23Å; F544-L590 HydrophobicContact CE1-CD1 3.77Å; F544-L590 HydrophobicContact CE2-CD1 3.39Å; F544-L590 HydrophobicContact CZ-CD1 3.12Å; F544-I596 HydrophobicContact CD2-CD1 4.01Å
545	L	92.6	Very high	90	Very high	2 Å²	2	65 Å²	65	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-67.1	-39.9	-179.9	-76	170.8	0	0	0	111.9	I541 L542 E543 E547 W548 M550 I567 V569 L583 L587 I614	I541-L545 HydrophobicContact CG2-CD1 3.83Å; I541-L545 HydrophobicContact CG2-CG 4.27Å; I541-L545 WeakPolarHBondContact O-CB 3.13Å; I541-L545 WeakPolarHBondContact O-CG 3.14Å; I541-L545 PolarHBondContact O-N 3.48Å; L542-L545 PolarHBondContact O-N 2.6Å; E543-L545 VanDerWaalsContact C-N 3.35Å; E543-L545 PolarHBondContact O-N 2.67Å; L545-E547 VanDerWaalsContact C-N 3.33Å; L545-W548 PolarHBondContact O-N 3.3Å; L545-M550 HydrophobicContact CB-CE 3.53Å; L545-M550 HydrophobicContact CB-SD 4.13Å; L545-M550 HydrophobicContact CD1-CE 3.82Å; L545-M550 HydrophobicContact CD2-CE 4.01Å; L545-M550 HydrophobicContact CG-CE 3.97Å; L545-M550 WeakPolarHBondContact O-CB 3.27Å; L545-M550 PolarHBondContact O-N 3.03Å; L545-I567 HydrophobicContact CD1-CG2 4.35Å; L545-V569 HydrophobicContact CD1-CG2 3.87Å; L545-L583 HydrophobicContact CD2-CD1 4.16Å; L545-L583 HydrophobicContact CD2-CD2 4.33Å; L545-L587 HydrophobicContact CD2-CD1 4.49Å; L545-I614 HydrophobicContact CD1-CD1 3.99Å
546	E	91.8	Very high	89.7	Confident	107 Å²	107	65 Å²	65	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-63.6	-37.9	174.5	-73.4	-175	163.4	0	0	111.9	L542 E543 W548 N552	L542-E546 WeakPolarHBondContact O-CG 3.44Å; L542-E546 PolarHBondContact O-N 3.39Å; E543-E546 PolarHBondContact O-N 2.95Å; E546-W548 VanDerWaalsContact C-N 3.32Å; E546-W548 PolarHBondContact O-N 2.8Å; E546-N552 PolarHBondContact OE1-ND2 2.69Å
547	E	90.9	Very high	89.3	Confident	161 Å²	161	66.4 Å²	66.4	75%	0.752	34%	0.341	S	S	*	.	H	α-helix	trans	-65.1	-35.7	175.1	-168.3	176.1	-167.6	0	0	112.2	E543 F544 L545 S549	E543-E547 PolarHBondContact O-N 3.04Å; E543-E547 VanDerWaalsContact O-N 3.1Å; F544-E547 PolarHBondContact O-N 3.38Å; L545-E547 VanDerWaalsContact C-N 3.33Å; E547-S549 VanDerWaalsContact C-N 3.25Å; E547-S549 PolarHBondContact O-N 2.75Å
548	W	88.7	Confident	88.8	Confident	100 Å²	100	62.8 Å²	62.8	38%	0.379	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	44.6	-179.1	-88.8	88.8	0	0	0	114.8	F544 L545 E546 M550 H577 L583 T586	F544-W548 AromaticContact CD2-CD1 3.88Å; F544-W548 AromaticContact CE1-CD1 3.6Å; F544-W548 HydrophobicContact CE1-CG 4.18Å; F544-W548 AromaticContact CE2-CD1 3.28Å; F544-W548 HydrophobicContact CE2-CG 4.45Å; F544-W548 AromaticContact CE2-NE1 3.18Å; F544-W548 AromaticContact CZ-CD1 3.1Å; F544-W548 HydrophobicContact CZ-CD2 4.45Å; F544-W548 AromaticContact CZ-CG 3.94Å; F544-W548 HydrophobicContact CZ-CG 3.94Å; F544-W548 AromaticContact CZ-NE1 3.13Å; F544-W548 PolarHBondContact O-N 3.25Å; F544-W548 VanDerWaalsContact O-N 3.12Å; L545-W548 PolarHBondContact O-N 3.3Å; E546-W548 VanDerWaalsContact C-N 3.32Å; E546-W548 PolarHBondContact O-N 2.8Å; W548-M550 PolarHBondContact O-N 2.81Å; W548-M550 VanDerWaalsContact O-N 3.09Å; W548-H577 PolarHBondContact O-CD2 3.49Å; W548-H577 PolarHBondContact O-NE2 3.2Å; W548-L583 HydrophobicContact CB-CD1 4.27Å; W548-T586 HydrophobicContact CH2-CG2 4.37Å; W548-T586 HydrophobicContact CZ2-CG2 3.88Å
549	S	89.1	Confident	88.1	Confident	85 Å²	85	65.5 Å²	65.5	59%	0.594	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	27.9	173.9	67.8	0	0	0	0	115.1	E547 H577	E547-S549 VanDerWaalsContact C-N 3.25Å; E547-S549 PolarHBondContact O-N 2.75Å; S549-H577 PolarHBondContact OG-NE2 3.02Å
550	M	91.8	Very high	87.5	Confident	19 Å²	19	64.4 Å²	64.4	9%	0.094	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-67.1	131	165.6	176.7	-174.9	-78.4	0	0	109.3	L545 W548 I567 V574	L545-M550 HydrophobicContact CB-CE 3.53Å; L545-M550 HydrophobicContact CB-SD 4.13Å; L545-M550 HydrophobicContact CD1-CE 3.82Å; L545-M550 HydrophobicContact CD2-CE 4.01Å; L545-M550 HydrophobicContact CG-CE 3.97Å; L545-M550 WeakPolarHBondContact O-CB 3.27Å; L545-M550 PolarHBondContact O-N 3.03Å; W548-M550 PolarHBondContact O-N 2.81Å; W548-M550 VanDerWaalsContact O-N 3.09Å; M550-I567 HydrophobicContact CE-CB 3.78Å; M550-I567 HydrophobicContact CE-CD1 3.45Å; M550-I567 VanDerWaalsContact CE-CD1 3.45Å; M550-I567 HydrophobicContact CE-CG1 4.18Å; M550-I567 HydrophobicContact CE-CG2 3.62Å; M550-V574 HydrophobicContact CE-CG2 3.66Å; M550-V574 HydrophobicContact SD-CB 4.38Å; M550-V574 HydrophobicContact SD-CG2 3.87Å
551	E	90.6	Very high	87.1	Confident	60 Å²	60	61.7 Å²	61.7	28%	0.28	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.8	172.6	-61.8	176.9	-180	0	0	109.4	I556 G575 I576 K578	E551-I556 HydrophobicContact CB-CG2 3.52Å; E551-I556 HydrophobicContact CG-CG2 4.46Å; E551-I556 WeakPolarHBondContact OE2-CG2 3.32Å; E551-G575 VanDerWaalsContact O-CA 3.24Å; E551-G575 WeakPolarHBondContact O-CA 3.43Å; E551-I576 HydrophobicContact CB-CG1 4.02Å; E551-I576 PolarHBondContact N-O 3Å; E551-I576 PolarHBondContact O-N 2.99Å; E551-I576 VanDerWaalsContact O-N 3.09Å; E551-K578 WeakPolarHBondContact OE1-CE 3.48Å; E551-K578 IonicContact OE1-NZ 3.36Å; E551-K578 PolarHBondContact OE1-NZ 3.43Å
552	N	90.4	Very high	86.7	Confident	47 Å²	47	63.4 Å²	63.4	25%	0.251	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	145.7	-179.3	-105.5	-34.9	0	0	0	111.4	E546 E554 E555	E546-N552 PolarHBondContact OE1-ND2 2.69Å; N552-E554 PolarHBondContact O-N 3.13Å; N552-E554 VanDerWaalsContact O-N 3.09Å; N552-E555 HydrophobicContact CB-CG 4.28Å; N552-E555 PolarHBondContact O-N 3.14Å
553	L	86.4	Confident	86.4	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.026	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.1	-172.1	-144.5	76.3	0	0	0	114.9	Y363 I556 W573	Y363-L553 VanDerWaalsContact CB-CD2 3.44Å; Y363-L553 HydrophobicContact CD1-CD2 4.42Å; Y363-L553 HydrophobicContact CD2-CD2 3.61Å; Y363-L553 HydrophobicContact CD2-CG 3.95Å; Y363-L553 HydrophobicContact CE2-CD2 4.44Å; Y363-L553 HydrophobicContact CE2-CG 4.3Å; Y363-L553 HydrophobicContact CG-CD2 3.59Å; Y363-L553 HydrophobicContact CG-CG 4.12Å; L553-I556 HydrophobicContact CD1-CD1 4.04Å; L553-W573 HydrophobicContact CD1-CD2 3.61Å; L553-W573 HydrophobicContact CD1-CE3 4.06Å; L553-W573 HydrophobicContact CD1-CG 4.14Å; L553-W573 HydrophobicContact CD1-CH2 3.93Å; L553-W573 HydrophobicContact CD1-CZ2 3.46Å; L553-W573 VanDerWaalsContact CD1-CZ2 3.46Å; L553-W573 HydrophobicContact CD1-CZ3 4.22Å; L553-W573 HydrophobicContact CD2-CD2 4.01Å; L553-W573 HydrophobicContact CD2-CE3 3.85Å; L553-W573 HydrophobicContact CD2-CG 4.48Å; L553-W573 HydrophobicContact CD2-CZ3 4.23Å; L553-W573 HydrophobicContact CG-CD2 4.49Å
554	E	85.1	Confident	86.3	Confident	107 Å²	107	60.5 Å²	60.5	50%	0.5	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-16.9	179.8	-65.7	179.1	176.1	0	0	112.9	K360 N552	K360-E554 WeakPolarHBondContact CE-OE1 3.44Å; K360-E554 HydrophobicContact CG-CG 4.36Å; K360-E554 IonicContact NZ-OE1 3.99Å; N552-E554 PolarHBondContact O-N 3.13Å; N552-E554 VanDerWaalsContact O-N 3.09Å
555	E	85.2	Confident	86.4	Confident	157 Å²	157	60.2 Å²	60.2	73%	0.734	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-14.5	-172.8	-61.2	179.5	175.9	0	0	112.9	N552	N552-E555 HydrophobicContact CB-CG 4.28Å; N552-E555 PolarHBondContact O-N 3.14Å
556	I	83.6	Confident	86.5	Confident	19 Å²	19	61 Å²	61	10%	0.097	34%	0.335	C	S	.	.	S	Bend	trans	-92.1	150.2	-171.8	59.4	174.9	0	0	0	113.1	E551 L553 I561 I576	E551-I556 HydrophobicContact CB-CG2 3.52Å; E551-I556 HydrophobicContact CG-CG2 4.46Å; E551-I556 WeakPolarHBondContact OE2-CG2 3.32Å; L553-I556 HydrophobicContact CD1-CD1 4.04Å; I556-I561 HydrophobicContact CD1-CD1 3.66Å; I556-I561 HydrophobicContact CD1-CG1 3.65Å; I556-I561 HydrophobicContact CG1-CD1 4.43Å; I556-I576 HydrophobicContact CB-CD1 4.37Å; I556-I576 HydrophobicContact CD1-CD1 3.72Å; I556-I576 HydrophobicContact CD1-CG1 3.97Å; I556-I576 HydrophobicContact CD1-CG2 4.2Å; I556-I576 HydrophobicContact CG2-CD1 3.95Å; I556-I576 HydrophobicContact CG2-CG1 4.17Å
557	S	79.6	Confident	86.7	Confident	74 Å²	74	55.9 Å²	55.9	52%	0.517	31%	0.311	S	S	.	.			trans	-82.9	135.3	165.7	64.6	0	0	0	0	110.1	A559 A560	S557-A559 PolarHBondContact O-N 3.41Å; S557-A559 VanDerWaalsContact O-N 3.09Å; S557-A560 WeakPolarHBondContact O-CB 3.36Å; S557-A560 PolarHBondContact O-N 2.99Å
558	P	77.1	Confident	86.9	Confident	21 Å²	21	48.5 Å²	48.5	14%	0.136	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-55.4	-30.2	-178.8	-28.3	34.2	0	0	0	114.6	E286 A560 I561	E286-P558 HydrophobicContact CB-CB 3.89Å; E286-P558 HydrophobicContact CB-CG 4.08Å; E286-P558 HydrophobicContact CG-CB 4.47Å; P558-A560 VanDerWaalsContact C-N 3.26Å; P558-A560 PolarHBondContact O-N 3.24Å; P558-I561 VanDerWaalsContact O-CB 3.3Å; P558-I561 WeakPolarHBondContact O-CB 3.31Å; P558-I561 PolarHBondContact O-N 3.21Å; P558-I561 VanDerWaalsContact O-N 3.15Å
559	A	75.9	Confident	87.2	Confident	82 Å²	82	44 Å²	44	68%	0.678	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-64.7	-27.1	178.3	0	0	0	0	0	113.4	S557 I561	S557-A559 PolarHBondContact O-N 3.41Å; S557-A559 VanDerWaalsContact O-N 3.09Å; A559-I561 VanDerWaalsContact C-N 3.29Å; A559-I561 PolarHBondContact O-N 2.9Å
560	A	78.1	Confident	87.4	Confident	38 Å²	38	40.4 Å²	40.4	31%	0.314	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-77.1	-14.6	177.3	0	0	0	0	0	113.1	S557 P558 A562	S557-A560 WeakPolarHBondContact O-CB 3.36Å; S557-A560 PolarHBondContact O-N 2.99Å; P558-A560 VanDerWaalsContact C-N 3.26Å; P558-A560 PolarHBondContact O-N 3.24Å; A560-A562 VanDerWaalsContact C-N 3.34Å; A560-A562 PolarHBondContact O-N 2.95Å
561	I	84.3	Confident	87.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-73.2	-26.3	-175.9	-61.6	176.1	0	0	0	112.3	Y290 Y363 I556 P558 A559 D563 K566 W573 I576	Y290-I561 HydrophobicContact CD1-CB 4.27Å; Y290-I561 HydrophobicContact CD1-CD1 4.43Å; Y290-I561 HydrophobicContact CD1-CG2 3.9Å; Y290-I561 HydrophobicContact CD2-CG2 4.11Å; Y290-I561 HydrophobicContact CE1-CG2 4.2Å; Y290-I561 HydrophobicContact CE2-CG2 4.39Å; Y290-I561 HydrophobicContact CG-CB 4.36Å; Y290-I561 HydrophobicContact CG-CG2 3.86Å; Y363-I561 HydrophobicContact CE1-CD1 3.86Å; I556-I561 HydrophobicContact CD1-CD1 3.66Å; I556-I561 HydrophobicContact CD1-CG1 3.65Å; I556-I561 HydrophobicContact CG1-CD1 4.43Å; P558-I561 VanDerWaalsContact O-CB 3.3Å; P558-I561 WeakPolarHBondContact O-CB 3.31Å; P558-I561 PolarHBondContact O-N 3.21Å; P558-I561 VanDerWaalsContact O-N 3.15Å; A559-I561 VanDerWaalsContact C-N 3.29Å; A559-I561 PolarHBondContact O-N 2.9Å; I561-D563 PolarHBondContact O-N 3.18Å; I561-K566 PolarHBondContact O-NZ 3.23Å; I561-W573 HydrophobicContact CD1-CH2 4.06Å; I561-W573 HydrophobicContact CD1-CZ2 4.38Å; I561-W573 HydrophobicContact CG2-CH2 4.17Å; I561-W573 HydrophobicContact CG2-CZ2 4.09Å; I561-I576 HydrophobicContact CG1-CD1 4.36Å
562	A	83.1	Confident	87.6	Confident	42 Å²	42	38.2 Å²	38.2	35%	0.347	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-43.3	-175.6	0	0	0	0	0	112.1	A560	A560-A562 VanDerWaalsContact C-N 3.34Å; A560-A562 PolarHBondContact O-N 2.95Å
563	D	86.1	Confident	87.8	Confident	127 Å²	127	36.3 Å²	36.3	68%	0.679	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-30.5	-178.4	-159.7	34.5	0	0	0	112.9	I561 R610	I561-D563 PolarHBondContact O-N 3.18Å; D563-R610 PolarHBondContact O-NH1 3.26Å; D563-R610 VanDerWaalsContact O-NH1 3.14Å; D563-R610 IonicContact OD1-CZ 2.7Å; D563-R610 IonicContact OD1-NH1 3.29Å; D563-R610 PolarHBondContact OD1-NH1 2.8Å
564	A	89.8	Confident	88.1	Confident	3 Å²	3	37.2 Å²	37.2	3%	0.025	22%	0.223	C	C	.	.	S	Bend	trans	-75.1	152.9	-178	0	0	0	0	0	114.1	I576	A564-I576 HydrophobicContact CB-CB 4.01Å; A564-I576 HydrophobicContact CB-CD1 3.79Å; A564-I576 HydrophobicContact CB-CG1 4.3Å
565	T	93.8	Very high	88.5	Confident	9 Å²	9	32.1 Å²	32.1	6%	0.055	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.1	176.7	-61.9	0	0	0	0	110.5	I576 H577 P580 R610 I612	T565-I576 CarbonylContact O-C 3.51Å; T565-I576 VanDerWaalsContact O-CA 3.27Å; T565-I576 WeakPolarHBondContact O-CA 3.45Å; T565-H577 WeakPolarHBondContact CB-O 3.38Å; T565-H577 PolarHBondContact N-O 3.23Å; T565-H577 PolarHBondContact O-N 2.85Å; T565-P580 HydrophobicContact CG2-CB 3.94Å; T565-P580 WeakPolarHBondContact OG1-CG 3.48Å; T565-R610 WeakPolarHBondContact CA-O 3.44Å; T565-R610 WeakPolarHBondContact CG2-O 3.48Å; T565-I612 HydrophobicContact CG2-CB 4.48Å; T565-I612 HydrophobicContact CG2-CD1 3.99Å; T565-I612 HydrophobicContact CG2-CG1 3.84Å
566	K	94.6	Very high	88.9	Confident	18 Å²	18	24.7 Å²	24.7	8%	0.078	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.5	-179.7	-62.3	155.7	-165.2	61.2	0	109.6	I561 F568 W573 I576 R610 E611 I612	I561-K566 PolarHBondContact O-NZ 3.23Å; K566-F568 HydrophobicContact CB-CD2 4.49Å; K566-F568 HydrophobicContact CB-CE2 3.79Å; K566-F568 HydrophobicContact CB-CZ 4.49Å; K566-W573 HydrophobicContact CD-CZ2 4.47Å; K566-W573 HydrophobicContact CG-CZ2 3.97Å; K566-I576 HydrophobicContact CG-CG2 4.47Å; K566-R610 PolarHBondContact N-O 3.16Å; K566-R610 VanDerWaalsContact N-O 3.12Å; K566-E611 HydrophobicContact CB-CG 4.49Å; K566-E611 WeakPolarHBondContact O-CA 3.49Å; K566-I612 PolarHBondContact O-N 3.4Å
567	I	95.7	Very high	89.4	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.5	-179.8	-58.9	175	0	0	0	109.8	L545 M550 V574 G575 H577 L583 I612	L545-I567 HydrophobicContact CD1-CG2 4.35Å; M550-I567 HydrophobicContact CE-CB 3.78Å; M550-I567 HydrophobicContact CE-CD1 3.45Å; M550-I567 VanDerWaalsContact CE-CD1 3.45Å; M550-I567 HydrophobicContact CE-CG1 4.18Å; M550-I567 HydrophobicContact CE-CG2 3.62Å; I567-V574 HydrophobicContact CB-CG2 4.21Å; I567-V574 HydrophobicContact CG2-CG2 3.91Å; I567-V574 WeakPolarHBondContact O-CG2 3.48Å; I567-V574 PolarHBondContact O-N 3.39Å; I567-V574 VanDerWaalsContact O-N 3.09Å; I567-G575 PolarHBondContact N-O 3.24Å; I567-H577 HydrophobicContact CD1-CB 3.52Å; I567-H577 HydrophobicContact CG1-CB 4.38Å; I567-L583 HydrophobicContact CD1-CD2 3.62Å; I567-I612 CarbonylContact C-O 3.57Å; I567-I612 WeakPolarHBondContact CA-O 3.49Å; I567-I612 HydrophobicContact CG1-CB 4.3Å
568	F	96	Very high	89.9	Confident	6 Å²	6	27.9 Å²	27.9	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.7	176.4	-64.5	-97.1	0	0	0	110.8	F364 Y367 K566 C572 W573 E611 I612 R613 I614	F364-F568 HydrophobicContact CE2-CE1 4.21Å; Y367-F568 HydrophobicContact CD1-CE1 4.29Å; Y367-F568 HydrophobicContact CD1-CZ 4.18Å; Y367-F568 HydrophobicContact CD2-CZ 4.28Å; Y367-F568 HydrophobicContact CE1-CE1 4.08Å; Y367-F568 AromaticContact CE1-CZ 3.84Å; Y367-F568 HydrophobicContact CE1-CZ 3.84Å; Y367-F568 AromaticContact CE2-CZ 3.95Å; Y367-F568 HydrophobicContact CE2-CZ 3.95Å; Y367-F568 HydrophobicContact CG-CZ 4.39Å; Y367-F568 AromaticContact CZ-CZ 3.72Å; K566-F568 HydrophobicContact CB-CD2 4.49Å; K566-F568 HydrophobicContact CB-CE2 3.79Å; K566-F568 HydrophobicContact CB-CZ 4.49Å; F568-C572 CarbonylContact C-O 3.51Å; F568-C572 WeakPolarHBondContact CA-O 3.49Å; F568-W573 HydrophobicContact CD1-CB 3.9Å; F568-W573 HydrophobicContact CE1-CB 3.6Å; F568-W573 HydrophobicContact CE1-CG 4.05Å; F568-W573 HydrophobicContact CZ-CB 4.25Å; F568-W573 HydrophobicContact CZ-CG 4.2Å; F568-E611 HydrophobicContact CE2-CG 4.28Å; F568-I612 PolarHBondContact N-O 3.4Å; F568-R613 HydrophobicContact CB-CG 4.26Å; F568-R613 HydrophobicContact CD2-CG 4.27Å; F568-I614 PolarHBondContact O-N 2.84Å
569	V	94.8	Very high	90.7	Very high	6 Å²	6	29.8 Å²	29.8	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.1	171.4	-177.5	0	0	0	0	108.3	P538 L542 L545 G571 C572 V574 I614	P538-V569 HydrophobicContact CB-CG1 3.78Å; L542-V569 HydrophobicContact CD2-CB 4.07Å; L542-V569 HydrophobicContact CD2-CG1 4.22Å; L542-V569 HydrophobicContact CD2-CG2 3.88Å; L545-V569 HydrophobicContact CD1-CG2 3.87Å; V569-G571 PolarHBondContact O-N 2.96Å; V569-G571 VanDerWaalsContact O-N 3.11Å; V569-C572 PolarHBondContact N-O 2.96Å; V569-C572 WeakPolarHBondContact O-CB 3.45Å; V569-C572 PolarHBondContact O-N 2.97Å; V569-V574 HydrophobicContact CB-CG1 4.11Å; V569-V574 HydrophobicContact CG2-CG1 4.17Å; V569-V574 HydrophobicContact CG2-CG2 3.93Å; V569-I614 WeakPolarHBondContact CA-O 3.34Å; V569-I614 HydrophobicContact CG2-CB 4.33Å; V569-I614 HydrophobicContact CG2-CD1 4.45Å
570	N	93.6	Very high	91.6	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.048	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	35.2	-174	-66.1	-18.5	0	0	0	113.8	N203 E226 C572 I614 Y615 T616	N203-N570 WeakPolarHBondContact CB-O 3.4Å; E226-N570 VanDerWaalsContact CD-ND2 3.28Å; E226-N570 WeakPolarHBondContact OE1-CB 3.47Å; E226-N570 PolarHBondContact OE1-ND2 3.3Å; E226-N570 PolarHBondContact OE2-ND2 3.39Å; N570-C572 VanDerWaalsContact C-N 3.25Å; N570-C572 PolarHBondContact O-N 3.33Å; N570-I614 PolarHBondContact N-O 2.87Å; N570-Y615 WeakPolarHBondContact OD1-CA 3.36Å; N570-T616 PolarHBondContact ND2-OG1 3.27Å; N570-T616 PolarHBondContact OD1-N 2.84Å; N570-T616 PolarHBondContact OD1-OG1 2.82Å
571	G	92.1	Very high	92.3	Very high	5 Å²	5	30.1 Å²	30.1	5%	0.052	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-6	-178.4	0	0	0	0	0	115.2	N203 F364 V569	N203-G571 VanDerWaalsContact O-CA 3.3Å; N203-G571 WeakPolarHBondContact O-CA 3.31Å; F364-G571 WeakPolarHBondContact CE2-O 3.5Å; V569-G571 PolarHBondContact O-N 2.96Å; V569-G571 VanDerWaalsContact O-N 3.11Å
572	C	94.4	Very high	92.7	Very high	27 Å²	27	36 Å²	36	18%	0.182	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.7	170.4	-169.3	0	0	0	0	110	F568 V569 N570 V574	F568-C572 CarbonylContact C-O 3.51Å; F568-C572 WeakPolarHBondContact CA-O 3.49Å; V569-C572 PolarHBondContact N-O 2.96Å; V569-C572 WeakPolarHBondContact O-CB 3.45Å; V569-C572 PolarHBondContact O-N 2.97Å; N570-C572 VanDerWaalsContact C-N 3.25Å; N570-C572 PolarHBondContact O-N 3.33Å; C572-V574 PolarHBondContact O-N 2.83Å
573	W	94.7	Very high	93.3	Very high	7 Å²	7	34.2 Å²	34.2	3%	0.027	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	106.6	173.3	-174.5	13.7	0	0	0	109.1	Y290 Y363 F364 L553 I561 K566 F568 G575 I576	Y290-W573 HydrophobicContact CE1-CH2 4.22Å; Y363-W573 AromaticContact CD1-CH2 3.99Å; Y363-W573 HydrophobicContact CD1-CH2 3.99Å; Y363-W573 AromaticContact CD1-CZ3 3.76Å; Y363-W573 HydrophobicContact CD1-CZ3 3.76Å; Y363-W573 HydrophobicContact CG-CZ3 4.05Å; F364-W573 HydrophobicContact CD2-CB 4.3Å; L553-W573 HydrophobicContact CD1-CD2 3.61Å; L553-W573 HydrophobicContact CD1-CE3 4.06Å; L553-W573 HydrophobicContact CD1-CG 4.14Å; L553-W573 HydrophobicContact CD1-CH2 3.93Å; L553-W573 HydrophobicContact CD1-CZ2 3.46Å; L553-W573 VanDerWaalsContact CD1-CZ2 3.46Å; L553-W573 HydrophobicContact CD1-CZ3 4.22Å; L553-W573 HydrophobicContact CD2-CD2 4.01Å; L553-W573 HydrophobicContact CD2-CE3 3.85Å; L553-W573 HydrophobicContact CD2-CG 4.48Å; L553-W573 HydrophobicContact CD2-CZ3 4.23Å; L553-W573 HydrophobicContact CG-CD2 4.49Å; I561-W573 HydrophobicContact CD1-CH2 4.06Å; I561-W573 HydrophobicContact CD1-CZ2 4.38Å; I561-W573 HydrophobicContact CG2-CH2 4.17Å; I561-W573 HydrophobicContact CG2-CZ2 4.09Å; K566-W573 HydrophobicContact CD-CZ2 4.47Å; K566-W573 HydrophobicContact CG-CZ2 3.97Å; F568-W573 HydrophobicContact CD1-CB 3.9Å; F568-W573 HydrophobicContact CE1-CB 3.6Å; F568-W573 HydrophobicContact CE1-CG 4.05Å; F568-W573 HydrophobicContact CZ-CB 4.25Å; F568-W573 HydrophobicContact CZ-CG 4.2Å; W573-G575 PolarHBondContact NE1-O 3.29Å; W573-I576 HydrophobicContact CZ2-CG2 4.05Å
574	V	93.2	Very high	93.6	Very high	25 Å²	25	28.2 Å²	28.2	15%	0.152	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-40.1	-172.4	-65.2	0	0	0	0	112.1	L542 M550 I567 V569 C572	L542-V574 HydrophobicContact CD2-CB 4.31Å; L542-V574 HydrophobicContact CD2-CG1 3.66Å; M550-V574 HydrophobicContact CE-CG2 3.66Å; M550-V574 HydrophobicContact SD-CB 4.38Å; M550-V574 HydrophobicContact SD-CG2 3.87Å; I567-V574 HydrophobicContact CB-CG2 4.21Å; I567-V574 HydrophobicContact CG2-CG2 3.91Å; I567-V574 WeakPolarHBondContact O-CG2 3.48Å; I567-V574 PolarHBondContact O-N 3.39Å; I567-V574 VanDerWaalsContact O-N 3.09Å; V569-V574 HydrophobicContact CB-CG1 4.11Å; V569-V574 HydrophobicContact CG2-CG1 4.17Å; V569-V574 HydrophobicContact CG2-CG2 3.93Å; C572-V574 PolarHBondContact O-N 2.83Å
575	G	92.6	Very high	93.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	-165.9	-177.5	0	0	0	0	0	113.2	E551 I567 W573	E551-G575 VanDerWaalsContact O-CA 3.24Å; E551-G575 WeakPolarHBondContact O-CA 3.43Å; I567-G575 PolarHBondContact N-O 3.24Å; W573-G575 PolarHBondContact NE1-O 3.29Å
576	I	93.6	Very high	93.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.8	176.6	63	168.9	0	0	0	111.1	E551 I556 I561 A564 T565 K566 W573	E551-I576 HydrophobicContact CB-CG1 4.02Å; E551-I576 PolarHBondContact N-O 3Å; E551-I576 PolarHBondContact O-N 2.99Å; E551-I576 VanDerWaalsContact O-N 3.09Å; I556-I576 HydrophobicContact CB-CD1 4.37Å; I556-I576 HydrophobicContact CD1-CD1 3.72Å; I556-I576 HydrophobicContact CD1-CG1 3.97Å; I556-I576 HydrophobicContact CD1-CG2 4.2Å; I556-I576 HydrophobicContact CG2-CD1 3.95Å; I556-I576 HydrophobicContact CG2-CG1 4.17Å; I561-I576 HydrophobicContact CG1-CD1 4.36Å; A564-I576 HydrophobicContact CB-CB 4.01Å; A564-I576 HydrophobicContact CB-CD1 3.79Å; A564-I576 HydrophobicContact CB-CG1 4.3Å; T565-I576 CarbonylContact O-C 3.51Å; T565-I576 VanDerWaalsContact O-CA 3.27Å; T565-I576 WeakPolarHBondContact O-CA 3.45Å; K566-I576 HydrophobicContact CG-CG2 4.47Å; W573-I576 HydrophobicContact CZ2-CG2 4.05Å
577	H	93.8	Very high	93.6	Very high	14 Å²	14	32.6 Å²	32.6	7%	0.065	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.7	176.3	-166.6	-92.7	0	0	0	111.3	W548 S549 T565 I567 D579 L583	W548-H577 PolarHBondContact O-CD2 3.49Å; W548-H577 PolarHBondContact O-NE2 3.2Å; S549-H577 PolarHBondContact OG-NE2 3.02Å; T565-H577 WeakPolarHBondContact CB-O 3.38Å; T565-H577 PolarHBondContact N-O 3.23Å; T565-H577 PolarHBondContact O-N 2.85Å; I567-H577 HydrophobicContact CD1-CB 3.52Å; I567-H577 HydrophobicContact CG1-CB 4.38Å; H577-D579 PolarHBondContact CE1-O 2.87Å; H577-D579 PolarHBondContact ND1-N 2.86Å; H577-D579 VanDerWaalsContact ND1-N 3.11Å; H577-D579 PolarHBondContact ND1-O 3.08Å; H577-L583 HydrophobicContact CB-CD2 4.32Å
578	K	90.9	Very high	93.4	Very high	146 Å²	146	36 Å²	36	64%	0.635	18%	0.177	S	C	*	.	S	Bend	trans	-86.8	-33.8	-175.4	-66.6	174.3	-172.6	151.3	0	113.1	E551 P580	E551-K578 WeakPolarHBondContact OE1-CE 3.48Å; E551-K578 IonicContact OE1-NZ 3.36Å; E551-K578 PolarHBondContact OE1-NZ 3.43Å; K578-P580 WeakPolarHBondContact O-CD 3.16Å
579	D	93.7	Very high	93.2	Very high	60 Å²	60	42 Å²	42	32%	0.321	20%	0.203	S	C	.	.			trans	-113.4	79.7	178.5	-171.7	-3.1	0	0	0	112.5	H577 E581 Q582	H577-D579 PolarHBondContact CE1-O 2.87Å; H577-D579 PolarHBondContact ND1-N 2.86Å; H577-D579 VanDerWaalsContact ND1-N 3.11Å; H577-D579 PolarHBondContact ND1-O 3.08Å; D579-E581 PolarHBondContact O-N 3.34Å; D579-E581 PolarHBondContact OD1-N 2.92Å; D579-Q582 PolarHBondContact OD1-N 3.18Å; D579-Q582 WeakPolarHBondContact OD2-CG 3.49Å; D579-Q582 PolarHBondContact OD2-NE2 3.33Å; D579-Q582 PolarHBondContact OD2-OE1 3.03Å
580	P	94	Very high	93	Very high	15 Å²	15	42.6 Å²	42.6	10%	0.097	21%	0.206	C	C	.	.	H	α-helix	trans	-67.8	-19.3	-177	29.8	-39	0	0	0	114.2	T565 K578 M584 I612	T565-P580 HydrophobicContact CG2-CB 3.94Å; T565-P580 WeakPolarHBondContact OG1-CG 3.48Å; K578-P580 WeakPolarHBondContact O-CD 3.16Å; P580-M584 VanDerWaalsContact O-CB 3.32Å; P580-M584 WeakPolarHBondContact O-CB 3.47Å; P580-M584 PolarHBondContact O-N 3.46Å; P580-M584 VanDerWaalsContact O-N 3.12Å; P580-I612 HydrophobicContact CB-CD1 3.69Å
581	E	93.6	Very high	92.9	Very high	112 Å²	112	42.5 Å²	42.5	52%	0.523	21%	0.206	S	C	.	.	H	α-helix	trans	-78.8	-48	-173.4	-172.4	164.7	164.7	0	0	111.9	D579 L583 M584 N585 R605	D579-E581 PolarHBondContact O-N 3.34Å; D579-E581 PolarHBondContact OD1-N 2.92Å; E581-L583 VanDerWaalsContact C-N 3.33Å; E581-M584 PolarHBondContact O-N 3.37Å; E581-N585 PolarHBondContact O-N 2.88Å; E581-N585 VanDerWaalsContact O-N 3.09Å; E581-N585 PolarHBondContact O-ND2 2.89Å; E581-R605 IonicContact OE2-NH1 3.87Å
582	Q	93.8	Very high	92.8	Very high	125 Å²	125	44.9 Å²	44.9	58%	0.584	21%	0.213	S	C	*	.	H	α-helix	trans	-62.1	-44.2	174.2	-68.5	-171.6	9.8	0	0	111.1	D579 M584 N585 T586	D579-Q582 PolarHBondContact OD1-N 3.18Å; D579-Q582 WeakPolarHBondContact OD2-CG 3.49Å; D579-Q582 PolarHBondContact OD2-NE2 3.33Å; D579-Q582 PolarHBondContact OD2-OE1 3.03Å; Q582-M584 PolarHBondContact O-N 3.22Å; Q582-N585 PolarHBondContact O-N 2.96Å; Q582-T586 PolarHBondContact O-N 2.8Å; Q582-T586 PolarHBondContact O-OG1 3.3Å; Q582-T586 VanDerWaalsContact O-OG1 3.07Å
583	L	94.1	Very high	92.5	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-56.8	-48.1	177.5	179.8	62.4	0	0	0	111.7	L545 W548 I567 H577 E581 N585 T586 L587 I612	L545-L583 HydrophobicContact CD2-CD1 4.16Å; L545-L583 HydrophobicContact CD2-CD2 4.33Å; W548-L583 HydrophobicContact CB-CD1 4.27Å; I567-L583 HydrophobicContact CD1-CD2 3.62Å; H577-L583 HydrophobicContact CB-CD2 4.32Å; E581-L583 VanDerWaalsContact C-N 3.33Å; L583-N585 VanDerWaalsContact C-N 3.34Å; L583-N585 PolarHBondContact O-N 3.38Å; L583-T586 PolarHBondContact O-N 3.11Å; L583-L587 HydrophobicContact CD1-CD1 4.22Å; L583-L587 HydrophobicContact CD1-CG 4.25Å; L583-L587 HydrophobicContact CG-CD1 4.02Å; L583-L587 HydrophobicContact CG-CG 4.46Å; L583-L587 WeakPolarHBondContact O-CB 3.33Å; L583-L587 VanDerWaalsContact O-CG 3.29Å; L583-L587 WeakPolarHBondContact O-CG 3.44Å; L583-L587 PolarHBondContact O-N 2.86Å; L583-I612 HydrophobicContact CD2-CD1 4.33Å
584	M	93.7	Very high	91.9	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-38.4	-179.7	-169.4	66	-173	0	0	112.4	P580 E581 Q582 L587 R588 M603 R605	P580-M584 VanDerWaalsContact O-CB 3.32Å; P580-M584 WeakPolarHBondContact O-CB 3.47Å; P580-M584 PolarHBondContact O-N 3.46Å; P580-M584 VanDerWaalsContact O-N 3.12Å; E581-M584 PolarHBondContact O-N 3.37Å; Q582-M584 PolarHBondContact O-N 3.22Å; M584-L587 PolarHBondContact O-N 2.95Å; M584-R588 HydrophobicContact CE-CG 4.25Å; M584-R588 WeakPolarHBondContact O-CB 3.46Å; M584-R588 WeakPolarHBondContact O-CG 3.36Å; M584-R588 PolarHBondContact O-N 3.15Å; M584-M603 HydrophobicContact CE-CB 3.66Å; M584-M603 WeakPolarHBondContact CE-O 3.47Å; M584-M603 HydrophobicContact SD-CB 4.28Å; M584-R605 HydrophobicContact SD-CB 4.44Å
585	N	92.8	Very high	91.1	Very high	87 Å²	87	55.4 Å²	55.4	47%	0.465	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-41.4	176.7	-71.8	-24.2	0	0	0	111.6	E581 Q582 L583 R588 K589	E581-N585 PolarHBondContact O-N 2.88Å; E581-N585 VanDerWaalsContact O-N 3.09Å; E581-N585 PolarHBondContact O-ND2 2.89Å; Q582-N585 PolarHBondContact O-N 2.96Å; L583-N585 VanDerWaalsContact C-N 3.34Å; L583-N585 PolarHBondContact O-N 3.38Å; N585-R588 PolarHBondContact O-N 3.3Å; N585-K589 WeakPolarHBondContact O-CB 3.01Å; N585-K589 PolarHBondContact O-N 3.36Å
586	T	92.9	Very high	89.9	Confident	36 Å²	36	59 Å²	59	22%	0.221	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-46.1	175.5	-57.3	0	0	0	0	111.4	F544 W548 Q582 L583 R588 K589 L590	F544-T586 HydrophobicContact CZ-CG2 3.98Å; W548-T586 HydrophobicContact CH2-CG2 4.37Å; W548-T586 HydrophobicContact CZ2-CG2 3.88Å; Q582-T586 PolarHBondContact O-N 2.8Å; Q582-T586 PolarHBondContact O-OG1 3.3Å; Q582-T586 VanDerWaalsContact O-OG1 3.07Å; L583-T586 PolarHBondContact O-N 3.11Å; T586-R588 PolarHBondContact O-N 2.88Å; T586-K589 WeakPolarHBondContact O-CB 3.37Å; T586-K589 PolarHBondContact O-N 3.15Å; T586-L590 HydrophobicContact CG2-CD1 3.99Å; T586-L590 WeakPolarHBondContact O-CG 3.27Å; T586-L590 PolarHBondContact O-N 3.06Å
587	L	91.9	Very high	88.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-43.8	177.9	-73.3	173.8	0	0	0	112.3	F544 L545 L583 M584 K589 L590 R591 I597 M603 I614	F544-L587 HydrophobicContact CD1-CD2 3.88Å; F544-L587 HydrophobicContact CE1-CD2 3.55Å; F544-L587 HydrophobicContact CE1-CG 4.4Å; L545-L587 HydrophobicContact CD2-CD1 4.49Å; L583-L587 HydrophobicContact CD1-CD1 4.22Å; L583-L587 HydrophobicContact CD1-CG 4.25Å; L583-L587 HydrophobicContact CG-CD1 4.02Å; L583-L587 HydrophobicContact CG-CG 4.46Å; L583-L587 WeakPolarHBondContact O-CB 3.33Å; L583-L587 VanDerWaalsContact O-CG 3.29Å; L583-L587 WeakPolarHBondContact O-CG 3.44Å; L583-L587 PolarHBondContact O-N 2.86Å; M584-L587 PolarHBondContact O-N 2.95Å; L587-K589 VanDerWaalsContact C-N 3.34Å; L587-K589 PolarHBondContact O-N 3.08Å; L587-L590 PolarHBondContact O-N 3.12Å; L587-R591 WeakPolarHBondContact O-CB 3.49Å; L587-R591 PolarHBondContact O-N 3.31Å; L587-I597 HydrophobicContact CB-CD1 4.47Å; L587-I597 HydrophobicContact CD2-CD1 3.69Å; L587-M603 HydrophobicContact CB-CE 4.24Å; L587-M603 HydrophobicContact CB-SD 3.65Å; L587-M603 HydrophobicContact CD1-SD 4.4Å; L587-M603 HydrophobicContact CG-SD 4.44Å; L587-I614 HydrophobicContact CD1-CD1 4.19Å
588	R	91.2	Very high	88.2	Confident	70 Å²	70	61.8 Å²	61.8	26%	0.264	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-41.8	173.7	-75.6	176.9	179.1	145.9	-1.9	112	M584 N585 T586 R591 R592 M603	M584-R588 HydrophobicContact CE-CG 4.25Å; M584-R588 WeakPolarHBondContact O-CB 3.46Å; M584-R588 WeakPolarHBondContact O-CG 3.36Å; M584-R588 PolarHBondContact O-N 3.15Å; N585-R588 PolarHBondContact O-N 3.3Å; T586-R588 PolarHBondContact O-N 2.88Å; R588-R591 PolarHBondContact O-N 2.86Å; R588-R592 WeakPolarHBondContact O-CB 3.35Å; R588-R592 VanDerWaalsContact O-CG 3.27Å; R588-R592 WeakPolarHBondContact O-CG 3.44Å; R588-R592 PolarHBondContact O-N 3.44Å; R588-M603 HydrophobicContact CG-CE 4.11Å
589	K	91.3	Very high	87.5	Confident	132 Å²	132	56 Å²	56	57%	0.574	28%	0.277	S	S	*	.	H	α-helix	trans	-61.6	-45	177.4	-171.3	177.9	179.9	-177.7	0	111.5	N585 T586 L587 R592 Q593	N585-K589 WeakPolarHBondContact O-CB 3.01Å; N585-K589 PolarHBondContact O-N 3.36Å; T586-K589 WeakPolarHBondContact O-CB 3.37Å; T586-K589 PolarHBondContact O-N 3.15Å; L587-K589 VanDerWaalsContact C-N 3.34Å; L587-K589 PolarHBondContact O-N 3.08Å; K589-R592 PolarHBondContact O-N 3.1Å; K589-Q593 WeakPolarHBondContact O-CG 3.37Å; K589-Q593 PolarHBondContact O-N 3.31Å
590	L	91	Very high	87.1	Confident	19 Å²	19	54.2 Å²	54.2	10%	0.099	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-41.8	176.8	-76.1	159	0	0	0	112.4	F544 T586 L587 Q593 M594 D595 I597	F544-L590 HydrophobicContact CD2-CD1 4.23Å; F544-L590 HydrophobicContact CE1-CD1 3.77Å; F544-L590 HydrophobicContact CE2-CD1 3.39Å; F544-L590 HydrophobicContact CZ-CD1 3.12Å; T586-L590 HydrophobicContact CG2-CD1 3.99Å; T586-L590 WeakPolarHBondContact O-CG 3.27Å; T586-L590 PolarHBondContact O-N 3.06Å; L587-L590 PolarHBondContact O-N 3.12Å; L590-Q593 PolarHBondContact O-N 2.96Å; L590-M594 PolarHBondContact O-N 3.33Å; L590-D595 HydrophobicContact CD2-CB 4.31Å; L590-D595 PolarHBondContact O-N 3.45Å; L590-I597 HydrophobicContact CB-CD1 4.15Å; L590-I597 HydrophobicContact CB-CG1 4.48Å
591	R	91.7	Very high	87.1	Confident	8 Å²	8	53.6 Å²	53.6	3%	0.03	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-43.9	175	-177.7	-178.6	179.4	-170.9	15.8	112	L587 R588 Q593 M594 I597 S599 V601 M603 E663 Y664 E669	L587-R591 WeakPolarHBondContact O-CB 3.49Å; L587-R591 PolarHBondContact O-N 3.31Å; R588-R591 PolarHBondContact O-N 2.86Å; R591-Q593 VanDerWaalsContact C-N 3.3Å; R591-Q593 PolarHBondContact O-N 3.03Å; R591-M594 PolarHBondContact O-N 3.12Å; R591-I597 HydrophobicContact CB-CB 4.27Å; R591-I597 HydrophobicContact CB-CG2 3.92Å; R591-I597 HydrophobicContact CG-CG2 4.08Å; R591-S599 PolarHBondContact NE-O 3.07Å; R591-S599 PolarHBondContact NH2-O 3.43Å; R591-V601 PolarHBondContact NE-O 2.77Å; R591-V601 PolarHBondContact NH2-O 3.39Å; R591-M603 HydrophobicContact CB-CE 4.07Å; R591-M603 HydrophobicContact CG-CE 4.49Å; R591-E663 WeakPolarHBondContact CD-OE1 3.45Å; R591-E663 IonicContact CZ-OE1 3.75Å; R591-E663 IonicContact NE-OE1 3.06Å; R591-E663 PolarHBondContact NE-OE1 3.4Å; R591-E663 IonicContact NH1-OE1 3.63Å; R591-E663 PolarHBondContact NH1-OE1 3.33Å; R591-Y664 PolarHBondContact NH2-O 3.29Å; R591-E669 IonicContact CZ-OE2 2.68Å; R591-E669 IonicContact NH1-OE1 2.78Å; R591-E669 PolarHBondContact NH1-OE1 3.28Å; R591-E669 VanDerWaalsContact NH1-OE1 3.15Å; R591-E669 IonicContact NH1-OE2 3.92Å; R591-E669 PolarHBondContact NH1-OE2 3.03Å; R591-E669 IonicContact NH2-OE2 3.91Å
592	R	89.9	Confident	87.1	Confident	55 Å²	55	48.3 Å²	48.3	21%	0.208	24%	0.237	C	C	.	.	H	α-helix	trans	-68.2	-28.5	179.3	-71.4	172	-177	-172.8	-3.2	113.1	R588 K589 M594 I627 E629 E663	R588-R592 WeakPolarHBondContact O-CB 3.35Å; R588-R592 VanDerWaalsContact O-CG 3.27Å; R588-R592 WeakPolarHBondContact O-CG 3.44Å; R588-R592 PolarHBondContact O-N 3.44Å; K589-R592 PolarHBondContact O-N 3.1Å; R592-M594 VanDerWaalsContact C-N 3.31Å; R592-I627 HydrophobicContact CG-CD1 4.1Å; R592-E629 IonicContact NH1-OE1 2.77Å; R592-E629 PolarHBondContact NH1-OE1 2.81Å; R592-E663 IonicContact CZ-OE2 3.97Å; R592-E663 IonicContact NE-OE2 2.69Å; R592-E663 PolarHBondContact NE-OE2 2.66Å; R592-E663 IonicContact NH2-OE2 2.81Å
593	Q	87.9	Confident	87.1	Confident	115 Å²	115	42.3 Å²	42.3	54%	0.537	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.8	175.2	-71.1	179	-28.6	0	0	113.5	K589 L590 R591 D595	K589-Q593 WeakPolarHBondContact O-CG 3.37Å; K589-Q593 PolarHBondContact O-N 3.31Å; L590-Q593 PolarHBondContact O-N 2.96Å; R591-Q593 VanDerWaalsContact C-N 3.3Å; R591-Q593 PolarHBondContact O-N 3.03Å; Q593-D595 VanDerWaalsContact C-N 3.25Å; Q593-D595 PolarHBondContact O-N 2.96Å
594	M	82.3	Confident	87.2	Confident	52 Å²	52	42.8 Å²	42.8	26%	0.256	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	40.5	-172.9	-66.3	-162.1	-166.9	0	0	114.1	L590 R591 R592 V657 A658	L590-M594 PolarHBondContact O-N 3.33Å; R591-M594 PolarHBondContact O-N 3.12Å; R592-M594 VanDerWaalsContact C-N 3.31Å; M594-V657 HydrophobicContact CE-CB 3.33Å; M594-V657 HydrophobicContact CE-CG1 3.17Å; M594-A658 HydrophobicContact CE-CB 4.18Å; M594-A658 HydrophobicContact SD-CB 4.23Å
595	D	76.6	Confident	87.3	Confident	112 Å²	112	45.5 Å²	45.5	60%	0.599	22%	0.222	S	C	*	.	S	Bend	trans	-83.6	-100.1	-179.5	-166.2	17.5	0	0	0	110.5	L590 Q593	L590-D595 HydrophobicContact CD2-CB 4.31Å; L590-D595 PolarHBondContact O-N 3.45Å; Q593-D595 VanDerWaalsContact C-N 3.25Å; Q593-D595 PolarHBondContact O-N 2.96Å
596	I	68.1	Low	87.4	Confident	75 Å²	75	43.6 Å²	43.6	39%	0.385	21%	0.212	S	C	.	.	S	Bend	trans	-77.1	-31.4	178.8	-55.5	167.5	0	0	0	111.7	P540 F544	P540-I596 HydrophobicContact CB-CG2 3.86Å; F544-I596 HydrophobicContact CD2-CD1 4.01Å
597	I	71.3	Confident	87.4	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	23%	0.232	C	C	.	.	S	Bend	trans	-100.1	110.9	-172.5	-58.9	179.7	0	0	0	109.5	L587 L590 R591 V601 M603	L587-I597 HydrophobicContact CB-CD1 4.47Å; L587-I597 HydrophobicContact CD2-CD1 3.69Å; L590-I597 HydrophobicContact CB-CD1 4.15Å; L590-I597 HydrophobicContact CB-CG1 4.48Å; R591-I597 HydrophobicContact CB-CB 4.27Å; R591-I597 HydrophobicContact CB-CG2 3.92Å; R591-I597 HydrophobicContact CG-CG2 4.08Å; I597-V601 HydrophobicContact CG2-CB 3.56Å; I597-V601 HydrophobicContact CG2-CG1 4.01Å; I597-V601 HydrophobicContact CG2-CG2 3.8Å; I597-M603 HydrophobicContact CD1-SD 4.18Å
598	V	79.1	Confident	87.5	Confident	71 Å²	71	56.5 Å²	56.5	43%	0.43	27%	0.265	S	S	.	.			trans	-63.9	148.5	171.5	-69	0	0	0	0	111	E600 V601	V598-E600 HydrophobicContact CG2-CB 4.42Å; V598-E600 PolarHBondContact O-N 3.07Å; V598-V601 HydrophobicContact CG2-CG2 3.74Å; V598-V601 WeakPolarHBondContact O-CG2 3.48Å; V598-V601 PolarHBondContact O-N 3.22Å
599	S	77.5	Confident	87.4	Confident	25 Å²	25	55 Å²	55	18%	0.175	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.3	-177.4	60.9	0	0	0	0	114.1	R591	R591-S599 PolarHBondContact NE-O 3.07Å; R591-S599 PolarHBondContact NH2-O 3.43Å
600	E	84.7	Confident	87.5	Confident	21 Å²	21	54.3 Å²	54.3	10%	0.098	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.2	177.4	-57.5	-163.6	166.2	0	0	114.8	Y531 S533 V534 G535 V598 S602 R620	Y531-E600 HydrophobicContact CE1-CG 4.12Å; Y531-E600 VanDerWaalsContact CE1-OE1 3.25Å; Y531-E600 WeakPolarHBondContact CE1-OE1 3.46Å; Y531-E600 VanDerWaalsContact CZ-OE1 3.31Å; Y531-E600 PolarHBondContact OH-OE1 2.99Å; S533-E600 WeakPolarHBondContact CA-OE2 3.31Å; V534-E600 PolarHBondContact N-OE2 3.33Å; G535-E600 PolarHBondContact N-OE2 3.46Å; V598-E600 HydrophobicContact CG2-CB 4.42Å; V598-E600 PolarHBondContact O-N 3.07Å; E600-S602 PolarHBondContact O-N 3.1Å; E600-R620 VanDerWaalsContact O-CZ 3.23Å; E600-R620 PolarHBondContact O-NH1 3.27Å; E600-R620 PolarHBondContact O-NH2 3.06Å
601	V	93.1	Very high	87.6	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.012	25%	0.251	C	S	.	.			trans	-70.5	122.9	-179	179.1	0	0	0	0	109.3	I541 R591 I597 V598 M603 I614 T616	I541-V601 HydrophobicContact CD1-CG1 3.9Å; I541-V601 HydrophobicContact CD1-CG2 3.96Å; R591-V601 PolarHBondContact NE-O 2.77Å; R591-V601 PolarHBondContact NH2-O 3.39Å; I597-V601 HydrophobicContact CG2-CB 3.56Å; I597-V601 HydrophobicContact CG2-CG1 4.01Å; I597-V601 HydrophobicContact CG2-CG2 3.8Å; V598-V601 HydrophobicContact CG2-CG2 3.74Å; V598-V601 WeakPolarHBondContact O-CG2 3.48Å; V598-V601 PolarHBondContact O-N 3.22Å; V601-M603 HydrophobicContact CG1-CG 4.15Å; V601-I614 HydrophobicContact CG1-CG2 3.68Å; V601-T616 HydrophobicContact CG1-CG2 4.09Å; V601-T616 HydrophobicContact CG2-CG2 3.98Å
602	S	94.1	Very high	87.8	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.007	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	139.9	174.9	174.3	0	0	0	0	110.4	E600 I604 I614 Y615 R620 D666	E600-S602 PolarHBondContact O-N 3.1Å; S602-I604 VanDerWaalsContact OG-CD1 3.23Å; S602-I604 WeakPolarHBondContact OG-CD1 3.24Å; S602-I614 CarbonylContact O-C 3.59Å; S602-I614 WeakPolarHBondContact O-CA 3.46Å; S602-Y615 PolarHBondContact N-O 3.1Å; S602-Y615 PolarHBondContact O-N 2.97Å; S602-R620 VanDerWaalsContact CB-NH1 3.29Å; S602-D666 VanDerWaalsContact CB-CG 3.43Å; S602-D666 WeakPolarHBondContact CB-OD2 3.4Å; S602-D666 PolarHBondContact OG-OD1 2.94Å; S602-D666 PolarHBondContact OG-OD2 3.25Å
603	M	94.2	Very high	88.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	121.3	-177.3	-55.6	173.6	-56.7	0	0	108.5	M584 L587 R588 R591 I597 V601 I614	M584-M603 HydrophobicContact CE-CB 3.66Å; M584-M603 WeakPolarHBondContact CE-O 3.47Å; M584-M603 HydrophobicContact SD-CB 4.28Å; L587-M603 HydrophobicContact CB-CE 4.24Å; L587-M603 HydrophobicContact CB-SD 3.65Å; L587-M603 HydrophobicContact CD1-SD 4.4Å; L587-M603 HydrophobicContact CG-SD 4.44Å; R588-M603 HydrophobicContact CG-CE 4.11Å; R591-M603 HydrophobicContact CB-CE 4.07Å; R591-M603 HydrophobicContact CG-CE 4.49Å; I597-M603 HydrophobicContact CD1-SD 4.18Å; V601-M603 HydrophobicContact CG1-CG 4.15Å; M603-I614 HydrophobicContact CG-CG1 4.3Å; M603-I614 HydrophobicContact CG-CG2 4.36Å
604	I	95.9	Very high	88.5	Confident	13 Å²	13	47 Å²	47	7%	0.067	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.3	-174.5	-50.6	88.9	0	0	0	108.5	S602 I612 R613 Y615 L668 E669 T672	S602-I604 VanDerWaalsContact OG-CD1 3.23Å; S602-I604 WeakPolarHBondContact OG-CD1 3.24Å; I604-I612 CarbonylContact O-C 3.59Å; I604-I612 WeakPolarHBondContact O-CA 3.45Å; I604-R613 WeakPolarHBondContact CD1-O 3.5Å; I604-R613 PolarHBondContact N-O 3.43Å; I604-R613 PolarHBondContact O-N 3.22Å; I604-Y615 HydrophobicContact CD1-CD2 3.81Å; I604-Y615 HydrophobicContact CD1-CE2 4.16Å; I604-L668 HydrophobicContact CD1-CB 4.27Å; I604-L668 HydrophobicContact CD1-CD2 3.82Å; I604-L668 HydrophobicContact CD1-CG 4.25Å; I604-L668 HydrophobicContact CG1-CB 4.17Å; I604-L668 HydrophobicContact CG1-CD2 4.12Å; I604-L668 HydrophobicContact CG1-CG 4.06Å; I604-E669 HydrophobicContact CG1-CB 4.19Å; I604-T672 HydrophobicContact CG2-CG2 3.61Å
605	R	95.6	Very high	89.1	Confident	58 Å²	58	44.9 Å²	44.9	22%	0.219	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.4	171.9	-178.6	-178.4	174.9	-161	-0.5	109.1	E581 M584 I607 I612	E581-R605 IonicContact OE2-NH1 3.87Å; M584-R605 HydrophobicContact SD-CB 4.44Å; R605-I607 HydrophobicContact CG-CG1 4.27Å; R605-I607 PolarHBondContact O-N 3.17Å; R605-I612 HydrophobicContact CB-CG1 4.29Å; R605-I612 HydrophobicContact CG-CG1 4.09Å
606	D	94.9	Very high	89.9	Confident	47 Å²	47	39.5 Å²	39.5	25%	0.251	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	101.3	169.1	-170.4	-26.3	0	0	0	108.6	R608 E609 R610 E611	D606-R608 VanDerWaalsContact C-N 3.31Å; D606-R608 PolarHBondContact OD1-N 2.66Å; D606-R608 VanDerWaalsContact OD1-N 3.15Å; D606-E609 HydrophobicContact CB-CB 4.42Å; D606-E609 PolarHBondContact OD1-N 3.31Å; D606-E609 VanDerWaalsContact OD1-N 3.08Å; D606-E609 WeakPolarHBondContact OD2-CG 3.13Å; D606-R610 WeakPolarHBondContact O-CA 3.09Å; D606-R610 PolarHBondContact O-N 2.92Å; D606-E611 HydrophobicContact CB-CB 4.42Å; D606-E611 PolarHBondContact N-O 3.11Å; D606-E611 PolarHBondContact O-N 3.4Å; D606-E611 VanDerWaalsContact O-N 3.1Å
607	I	93.9	Very high	91.1	Very high	126 Å²	126	36.9 Å²	36.9	65%	0.646	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-34.2	-176.3	-57.2	173.5	0	0	0	110.8	R605	R605-I607 HydrophobicContact CG-CG1 4.27Å; R605-I607 PolarHBondContact O-N 3.17Å
608	R	92.4	Very high	92.1	Very high	180 Å²	180	38.5 Å²	38.5	68%	0.679	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-44.6	-176.4	-178.4	-179.7	175.3	-173.8	-3.7	111.1	R379 D606 R610	R379-R608 PolarHBondContact O-NH2 2.79Å; R379-R608 VanDerWaalsContact O-NH2 3.16Å; D606-R608 VanDerWaalsContact C-N 3.31Å; D606-R608 PolarHBondContact OD1-N 2.66Å; D606-R608 VanDerWaalsContact OD1-N 3.15Å; R608-R610 VanDerWaalsContact C-N 3.35Å
609	E	89.4	Confident	92.8	Very high	39 Å²	39	35.3 Å²	35.3	18%	0.182	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.9	-178	-59.9	-70.3	149.5	0	0	112.9	R380 D606 E611	R380-E609 IonicContact NH1-OE2 3.96Å; D606-E609 HydrophobicContact CB-CB 4.42Å; D606-E609 PolarHBondContact OD1-N 3.31Å; D606-E609 VanDerWaalsContact OD1-N 3.08Å; D606-E609 WeakPolarHBondContact OD2-CG 3.13Å; E609-E611 HydrophobicContact CB-CG 4.23Å
610	R	93.4	Very high	93.6	Very high	117 Å²	117	34.4 Å²	34.4	44%	0.442	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	54.4	-174	-53.3	-176.5	-171	-168.8	3.7	111.5	D563 T565 K566 D606 R608	D563-R610 PolarHBondContact O-NH1 3.26Å; D563-R610 VanDerWaalsContact O-NH1 3.14Å; D563-R610 IonicContact OD1-CZ 2.7Å; D563-R610 IonicContact OD1-NH1 3.29Å; D563-R610 PolarHBondContact OD1-NH1 2.8Å; T565-R610 WeakPolarHBondContact CA-O 3.44Å; T565-R610 WeakPolarHBondContact CG2-O 3.48Å; K566-R610 PolarHBondContact N-O 3.16Å; K566-R610 VanDerWaalsContact N-O 3.12Å; D606-R610 WeakPolarHBondContact O-CA 3.09Å; D606-R610 PolarHBondContact O-N 2.92Å; R608-R610 VanDerWaalsContact C-N 3.35Å
611	E	94.3	Very high	94.2	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.023	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.3	177	-64.3	-178.7	177	0	0	111.1	Y367 K566 F568 D606 E609 R613	Y367-E611 WeakPolarHBondContact CE2-OE1 3.28Å; Y367-E611 VanDerWaalsContact CZ-OE1 3.3Å; Y367-E611 PolarHBondContact OH-OE1 3.43Å; Y367-E611 PolarHBondContact OH-OE2 3.47Å; K566-E611 HydrophobicContact CB-CG 4.49Å; K566-E611 WeakPolarHBondContact O-CA 3.49Å; F568-E611 HydrophobicContact CE2-CG 4.28Å; D606-E611 HydrophobicContact CB-CB 4.42Å; D606-E611 PolarHBondContact N-O 3.11Å; D606-E611 PolarHBondContact O-N 3.4Å; D606-E611 VanDerWaalsContact O-N 3.1Å; E609-E611 HydrophobicContact CB-CG 4.23Å; E611-R613 IonicContact OE2-CZ 3.55Å; E611-R613 IonicContact OE2-NE 3.7Å; E611-R613 PolarHBondContact OE2-NE 3.22Å; E611-R613 IonicContact OE2-NH2 3.94Å; E611-R613 PolarHBondContact OE2-NH2 3.38Å
612	I	96.3	Very high	94.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.1	164.9	-68.1	168.9	0	0	0	107.4	T565 K566 I567 F568 P580 L583 I604 R605 I614	T565-I612 HydrophobicContact CG2-CB 4.48Å; T565-I612 HydrophobicContact CG2-CD1 3.99Å; T565-I612 HydrophobicContact CG2-CG1 3.84Å; K566-I612 PolarHBondContact O-N 3.4Å; I567-I612 CarbonylContact C-O 3.57Å; I567-I612 WeakPolarHBondContact CA-O 3.49Å; I567-I612 HydrophobicContact CG1-CB 4.3Å; F568-I612 PolarHBondContact N-O 3.4Å; P580-I612 HydrophobicContact CB-CD1 3.69Å; L583-I612 HydrophobicContact CD2-CD1 4.33Å; I604-I612 CarbonylContact O-C 3.59Å; I604-I612 WeakPolarHBondContact O-CA 3.45Å; R605-I612 HydrophobicContact CB-CG1 4.29Å; R605-I612 HydrophobicContact CG-CG1 4.09Å; I612-I614 HydrophobicContact CG2-CG1 4.23Å
613	R	96	Very high	94.3	Very high	38 Å²	38	34.1 Å²	34.1	14%	0.143	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.3	177.5	-54.6	-173	-165.1	142.2	11.1	109.4	F568 I604 E611 Y615	F568-R613 HydrophobicContact CB-CG 4.26Å; F568-R613 HydrophobicContact CD2-CG 4.27Å; I604-R613 WeakPolarHBondContact CD1-O 3.5Å; I604-R613 PolarHBondContact N-O 3.43Å; I604-R613 PolarHBondContact O-N 3.22Å; E611-R613 IonicContact OE2-CZ 3.55Å; E611-R613 IonicContact OE2-NE 3.7Å; E611-R613 PolarHBondContact OE2-NE 3.22Å; E611-R613 IonicContact OE2-NH2 3.94Å; E611-R613 PolarHBondContact OE2-NH2 3.38Å; R613-Y615 HydrophobicContact CB-CE2 3.9Å
614	I	95.9	Very high	94.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131	178.8	-58.2	173.2	0	0	0	108	I541 L545 F568 V569 N570 L587 V601 S602 M603 I612	I541-I614 HydrophobicContact CD1-CG2 4.43Å; I541-I614 HydrophobicContact CG2-CD1 4.38Å; I541-I614 HydrophobicContact CG2-CG2 4.5Å; L545-I614 HydrophobicContact CD1-CD1 3.99Å; F568-I614 PolarHBondContact O-N 2.84Å; V569-I614 WeakPolarHBondContact CA-O 3.34Å; V569-I614 HydrophobicContact CG2-CB 4.33Å; V569-I614 HydrophobicContact CG2-CD1 4.45Å; N570-I614 PolarHBondContact N-O 2.87Å; L587-I614 HydrophobicContact CD1-CD1 4.19Å; V601-I614 HydrophobicContact CG1-CG2 3.68Å; S602-I614 CarbonylContact O-C 3.59Å; S602-I614 WeakPolarHBondContact O-CA 3.46Å; M603-I614 HydrophobicContact CG-CG1 4.3Å; M603-I614 HydrophobicContact CG-CG2 4.36Å; I612-I614 HydrophobicContact CG2-CG1 4.23Å
615	Y	95	Very high	94.4	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.027	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.7	178.2	-67.3	-79.9	0	0	0	111.1	N570 S602 I604 R613 R620 L668	N570-Y615 WeakPolarHBondContact OD1-CA 3.36Å; S602-Y615 PolarHBondContact N-O 3.1Å; S602-Y615 PolarHBondContact O-N 2.97Å; I604-Y615 HydrophobicContact CD1-CD2 3.81Å; I604-Y615 HydrophobicContact CD1-CE2 4.16Å; R613-Y615 HydrophobicContact CB-CE2 3.9Å; Y615-R620 VanDerWaalsContact O-CZ 3.3Å; Y615-R620 PolarHBondContact O-NH2 3.29Å; Y615-L668 HydrophobicContact CD2-CD2 4.12Å; Y615-L668 HydrophobicContact CE2-CD2 3.48Å; Y615-L668 VanDerWaalsContact CE2-CD2 3.48Å
616	T	93.6	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.			trans	-114.1	5.1	172.7	76.2	0	0	0	0	112.2	G535 S536 I541 N570 V601	G535-T616 WeakPolarHBondContact CA-O 3.45Å; S536-T616 PolarHBondContact N-O 3.46Å; S536-T616 PolarHBondContact O-OG1 2.8Å; I541-T616 HydrophobicContact CD1-CG2 3.38Å; N570-T616 PolarHBondContact ND2-OG1 3.27Å; N570-T616 PolarHBondContact OD1-N 2.84Å; N570-T616 PolarHBondContact OD1-OG1 2.82Å; V601-T616 HydrophobicContact CG1-CG2 4.09Å; V601-T616 HydrophobicContact CG2-CG2 3.98Å
617	D	91.8	Very high	94.5	Very high	19 Å²	19	28.8 Å²	28.8	10%	0.102	13%	0.131	C	C	.	.			trans	-69.8	156.9	-176.6	68.8	-19.8	0	0	0	113.2	R392 S533 R620	R392-D617 IonicContact CZ-OD1 2.79Å; R392-D617 IonicContact CZ-OD2 3.82Å; R392-D617 IonicContact NE-OD1 3.17Å; R392-D617 PolarHBondContact NE-OD1 2.67Å; R392-D617 IonicContact NE-OD2 3.12Å; R392-D617 PolarHBondContact NE-OD2 3.33Å; R392-D617 IonicContact NH2-OD1 2.76Å; R392-D617 PolarHBondContact NH2-OD1 2.67Å; R392-D617 IonicContact NH2-OD2 3.95Å; R392-D617 PolarHBondContact NH2-OD2 3.12Å; S533-D617 PolarHBondContact OG-O 2.99Å; D617-R620 PolarHBondContact O-NE 2.88Å; D617-R620 VanDerWaalsContact O-NE 3.15Å; D617-R620 PolarHBondContact O-NH2 2.97Å; D617-R620 WeakPolarHBondContact OD1-CD 3.24Å; D617-R620 WeakPolarHBondContact OD1-CG 3.34Å; D617-R620 IonicContact OD1-NE 3.49Å; D617-R620 PolarHBondContact OD1-NE 2.94Å
618	A	92.3	Very high	94.5	Very high	39 Å²	39	23.1 Å²	23.1	32%	0.322	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	153.1	178.4	0	0	0	0	0	112	V534	V534-A618 WeakPolarHBondContact O-CB 3.49Å
619	G	94	Very high	94.3	Very high	4 Å²	4	18.8 Å²	18.8	4%	0.041	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	12.4	172.6	0	0	0	0	0	114.6	R392 L393 S533	R392-G619 CarbonylContact C-O 3.53Å; R392-G619 WeakPolarHBondContact CA-O 3.35Å; L393-G619 PolarHBondContact N-O 3.27Å; L393-G619 VanDerWaalsContact O-CA 3.28Å; L393-G619 WeakPolarHBondContact O-CA 3.48Å; S533-G619 PolarHBondContact O-N 3.2Å; S533-G619 PolarHBondContact OG-N 2.96Å
620	R	95.4	Very high	94.1	Very high	6 Å²	6	26.7 Å²	26.7	2%	0.023	12%	0.124	C	C	.	.			trans	-76.2	139.5	166.5	-72	178.5	-70.7	110.2	7.1	109.1	R392 I532 S533 E600 S602 Y615 D617 D666	R392-R620 VanDerWaalsContact CZ-CG 3.43Å; R392-R620 VanDerWaalsContact NE-CG 3.28Å; I532-R620 CarbonylContact C-O 3.58Å; I532-R620 VanDerWaalsContact CA-O 3.24Å; I532-R620 WeakPolarHBondContact CA-O 3.49Å; S533-R620 PolarHBondContact N-O 3.38Å; S533-R620 PolarHBondContact OG-N 3.45Å; E600-R620 VanDerWaalsContact O-CZ 3.23Å; E600-R620 PolarHBondContact O-NH1 3.27Å; E600-R620 PolarHBondContact O-NH2 3.06Å; S602-R620 VanDerWaalsContact CB-NH1 3.29Å; Y615-R620 VanDerWaalsContact O-CZ 3.3Å; Y615-R620 PolarHBondContact O-NH2 3.29Å; D617-R620 PolarHBondContact O-NE 2.88Å; D617-R620 VanDerWaalsContact O-NE 3.15Å; D617-R620 PolarHBondContact O-NH2 2.97Å; D617-R620 WeakPolarHBondContact OD1-CD 3.24Å; D617-R620 WeakPolarHBondContact OD1-CG 3.34Å; D617-R620 IonicContact OD1-NE 3.49Å; D617-R620 PolarHBondContact OD1-NE 2.94Å; R620-D666 WeakPolarHBondContact CD-OD2 3.43Å; R620-D666 IonicContact NH1-OD2 2.9Å; R620-D666 PolarHBondContact NH1-OD2 3.39Å
621	I	96	Very high	93.7	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.026	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131	174.8	-168	162.7	0	0	0	109.3	Y388 L393 M508 V509 L526 A530 Y531 D666 T667	Y388-I621 HydrophobicContact CD1-CG2 3.56Å; Y388-I621 HydrophobicContact CE1-CD1 4.33Å; Y388-I621 HydrophobicContact CE1-CG2 3.7Å; L393-I621 HydrophobicContact CD1-CD1 4.34Å; M508-I621 HydrophobicContact CB-CD1 3.79Å; M508-I621 HydrophobicContact CB-CG1 4.08Å; M508-I621 HydrophobicContact CB-CG2 4.33Å; M508-I621 HydrophobicContact CG-CG1 4.4Å; M508-I621 HydrophobicContact CG-CG2 4.25Å; M508-I621 HydrophobicContact SD-CB 4.46Å; M508-I621 HydrophobicContact SD-CG1 3.86Å; M508-I621 HydrophobicContact SD-CG2 4.22Å; V509-I621 HydrophobicContact CG2-CD1 4.47Å; L526-I621 HydrophobicContact CD2-CD1 3.5Å; A530-I621 HydrophobicContact CB-CD1 4.22Å; A530-I621 HydrophobicContact CB-CG1 4.3Å; Y531-I621 WeakPolarHBondContact O-CA 3.16Å; I621-D666 WeakPolarHBondContact O-CA 3.43Å; I621-D666 WeakPolarHBondContact O-CB 3.37Å; I621-T667 HydrophobicContact CG2-CG2 3.97Å
622	C	95.2	Very high	93.4	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	165.8	-178.7	55.5	0	0	0	0	110.6	Y531 I665 D666	Y531-C622 VanDerWaalsContact CD1-SG 3.59Å; Y531-C622 PolarHBondContact N-O 3.43Å; Y531-C622 PolarHBondContact O-N 3.06Å; Y531-C622 VanDerWaalsContact O-O 3.14Å; C622-I665 CarbonylContact C-O 3.54Å; C622-I665 WeakPolarHBondContact CA-O 3.38Å; C622-I665 VanDerWaalsContact CB-O 3.23Å; C622-I665 WeakPolarHBondContact CB-O 3.17Å; C622-D666 HydrophobicContact CB-CB 3.85Å
623	R	95.5	Very high	93.1	Very high	11 Å²	11	28.5 Å²	28.5	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	143	-179.2	67	-162	-170.1	103.6	-4.5	110.5	M508 L625 Y664 I665 E670 E697	M508-R623 HydrophobicContact CE-CB 4.32Å; M508-R623 HydrophobicContact CE-CG 3.82Å; M508-R623 HydrophobicContact SD-CB 4.2Å; M508-R623 HydrophobicContact SD-CG 4.29Å; R623-L625 HydrophobicContact CG-CG 4.38Å; R623-Y664 CarbonylContact O-C 3.58Å; R623-I665 PolarHBondContact N-O 3.2Å; R623-I665 PolarHBondContact O-N 3.4Å; R623-E670 IonicContact CZ-OE1 3.37Å; R623-E670 IonicContact NE-OE1 3.59Å; R623-E670 PolarHBondContact NE-OE1 2.83Å; R623-E670 IonicContact NE-OE2 3.31Å; R623-E670 IonicContact NH2-OE1 2.87Å; R623-E670 PolarHBondContact NH2-OE1 3.39Å; R623-E697 IonicContact CZ-OE1 3.2Å; R623-E697 IonicContact CZ-OE2 2.84Å; R623-E697 IonicContact NH1-OE1 2.73Å; R623-E697 PolarHBondContact NH1-OE1 3.13Å; R623-E697 IonicContact NH1-OE2 2.82Å; R623-E697 PolarHBondContact NH1-OE2 2.77Å; R623-E697 IonicContact NH2-OE1 3.81Å; R623-E697 PolarHBondContact NH2-OE1 2.99Å
624	P	96.3	Very high	92.9	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	136.4	176.5	30.9	-33.7	0	0	0	111	Y33 M529 W653 V662 E663 Y664 I698	Y33-P624 HydrophobicContact CD2-CG 4.38Å; Y33-P624 HydrophobicContact CE2-CG 4.04Å; M529-P624 HydrophobicContact CB-CG 4.29Å; M529-P624 HydrophobicContact CE-CG 3.47Å; M529-P624 VanDerWaalsContact CE-CG 3.47Å; M529-P624 WeakPolarHBondContact O-CD 3.34Å; M529-P624 HydrophobicContact SD-CG 4.43Å; P624-W653 HydrophobicContact CB-CH2 3.86Å; P624-W653 HydrophobicContact CB-CZ2 3.62Å; P624-W653 HydrophobicContact CG-CH2 4.28Å; P624-W653 HydrophobicContact CG-CZ2 4.14Å; P624-V662 HydrophobicContact CB-CG1 3.7Å; P624-E663 CarbonylContact C-O 3.55Å; P624-E663 WeakPolarHBondContact CA-O 3.22Å; P624-Y664 HydrophobicContact CB-CD1 4.23Å; P624-Y664 HydrophobicContact CB-CE1 4.05Å; P624-Y664 HydrophobicContact CG-CE1 4.29Å; P624-I698 HydrophobicContact CB-CD1 4.46Å; P624-I698 HydrophobicContact CG-CD1 4.4Å
625	L	96.3	Very high	92.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.6	178.6	-67.6	173.3	0	0	0	110.7	R623 V662 E663 I665 L675 H695 E697	R623-L625 HydrophobicContact CG-CG 4.38Å; L625-V662 CarbonylContact O-C 3.5Å; L625-V662 VanDerWaalsContact O-CA 3.27Å; L625-V662 WeakPolarHBondContact O-CA 3.41Å; L625-V662 WeakPolarHBondContact O-CG1 3.47Å; L625-E663 PolarHBondContact N-O 3.26Å; L625-E663 PolarHBondContact O-N 3.26Å; L625-I665 HydrophobicContact CB-CG1 4.47Å; L625-I665 HydrophobicContact CD1-CB 3.85Å; L625-I665 HydrophobicContact CD1-CG1 3.76Å; L625-I665 HydrophobicContact CD1-CG2 4.43Å; L625-I665 HydrophobicContact CG-CG1 4.49Å; L625-L675 HydrophobicContact CD1-CD2 3.34Å; L625-L675 HydrophobicContact CD1-CG 4.41Å; L625-L675 HydrophobicContact CD2-CD2 3.92Å; L625-L675 HydrophobicContact CG-CD2 4.27Å; L625-H695 HydrophobicContact CB-CB 4.27Å; L625-H695 HydrophobicContact CD1-CB 4.33Å; L625-E697 WeakPolarHBondContact CD2-OE2 3.47Å
626	L	95.9	Very high	92.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.2	177.8	-67.5	162.1	0	0	0	110.5	W22 L633 L635 V661 V662 H695 C696 I698	W22-L626 HydrophobicContact CH2-CD1 3.43Å; W22-L626 VanDerWaalsContact CH2-CD1 3.43Å; W22-L626 HydrophobicContact CZ2-CD1 4.09Å; W22-L626 HydrophobicContact CZ3-CD1 4.45Å; L626-L633 HydrophobicContact CB-CD1 4.1Å; L626-L633 HydrophobicContact CD1-CD1 4.35Å; L626-L635 HydrophobicContact CD1-CD2 4.38Å; L626-L635 HydrophobicContact CD2-CB 4.16Å; L626-L635 HydrophobicContact CD2-CD2 3.85Å; L626-V661 HydrophobicContact CD2-CG1 4.46Å; L626-V662 HydrophobicContact CD2-CG2 3.75Å; L626-H695 CarbonylContact O-C 3.56Å; L626-H695 WeakPolarHBondContact O-CA 3.32Å; L626-H695 WeakPolarHBondContact O-CB 3.47Å; L626-C696 HydrophobicContact CB-CB 4.37Å; L626-C696 PolarHBondContact N-O 3.04Å; L626-C696 PolarHBondContact O-N 2.98Å; L626-I698 HydrophobicContact CD1-CB 4.47Å; L626-I698 HydrophobicContact CD1-CG1 4.03Å; L626-I698 HydrophobicContact CG-CG1 3.91Å
627	I	95.3	Very high	92.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136.7	178	-66.4	162.3	0	0	0	109.8	R592 E629 L634 G660 V661 E663	R592-I627 HydrophobicContact CG-CD1 4.1Å; I627-E629 HydrophobicContact CG2-CG 4.14Å; I627-L634 HydrophobicContact CG2-CD2 4.44Å; I627-L634 PolarHBondContact O-N 3.03Å; I627-L634 VanDerWaalsContact O-N 3.15Å; I627-G660 WeakPolarHBondContact CD1-O 3.42Å; I627-V661 PolarHBondContact N-O 2.72Å; I627-E663 HydrophobicContact CD1-CB 3.97Å; I627-E663 HydrophobicContact CG1-CB 4.08Å
628	V	93.4	Very high	92.2	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128	174	178.1	0	0	0	0	108.5	K632 L633 L682 S694 C696	V628-K632 WeakPolarHBondContact CA-O 3.36Å; V628-L633 HydrophobicContact CG2-CD1 4.24Å; V628-L682 HydrophobicContact CG1-CD1 4.13Å; V628-L682 HydrophobicContact CG1-CD2 4Å; V628-L682 HydrophobicContact CG2-CD1 3.72Å; V628-L682 HydrophobicContact CG2-CD2 4.33Å; V628-S694 PolarHBondContact N-O 2.77Å; V628-C696 HydrophobicContact CG2-CB 3.86Å
629	E	89.4	Confident	92.1	Very high	88 Å²	88	43.6 Å²	43.6	41%	0.411	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.6	174	-68.7	-164.2	168.5	0	0	110.2	R592 I627 Q631 K632 L634	R592-E629 IonicContact NH1-OE1 2.77Å; R592-E629 PolarHBondContact NH1-OE1 2.81Å; I627-E629 HydrophobicContact CG2-CG 4.14Å; E629-Q631 PolarHBondContact O-N 2.66Å; E629-K632 PolarHBondContact N-O 2.94Å; E629-K632 PolarHBondContact O-N 3.4Å; E629-K632 VanDerWaalsContact O-O 3.09Å; E629-L634 HydrophobicContact CB-CD1 4.36Å; E629-L634 HydrophobicContact CG-CD1 4.28Å
630	K	85.8	Confident	91.9	Very high	206 Å²	206	43.7 Å²	43.7	90%	0.896	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	42	179.3	-58.2	176.9	-179.4	172	0	113.4	K632	K630-K632 PolarHBondContact O-N 3.46Å
631	Q	84.3	Confident	91.7	Very high	50 Å²	50	45.9 Å²	45.9	23%	0.234	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	12.9	-177	-59.9	-61.9	-69.6	0	0	115.3	E629 S691	E629-Q631 PolarHBondContact O-N 2.66Å; Q631-S691 VanDerWaalsContact CD-C 3.4Å; Q631-S691 WeakPolarHBondContact CG-O 3.45Å; Q631-S691 PolarHBondContact NE2-O 3.16Å
632	K	87.6	Confident	91.3	Very high	92 Å²	92	47.1 Å²	47.1	40%	0.4	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	143.8	171.9	-65.3	-169.6	176.2	-166.3	0	110.2	D13 V628 E629 K630	D13-K632 IonicContact OD1-NZ 3.74Å; D13-K632 PolarHBondContact OD1-NZ 2.84Å; D13-K632 VanDerWaalsContact OD1-NZ 3.13Å; V628-K632 WeakPolarHBondContact CA-O 3.36Å; E629-K632 PolarHBondContact N-O 2.94Å; E629-K632 PolarHBondContact O-N 3.4Å; E629-K632 VanDerWaalsContact O-O 3.09Å; K630-K632 PolarHBondContact O-N 3.46Å
633	L	90.7	Very high	91.1	Very high	18 Å²	18	47.5 Å²	47.5	9%	0.094	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.7	173.3	-159.9	84.4	0	0	0	109.4	W22 L626 V628 L635 K636 L682 C696	W22-L633 HydrophobicContact CE3-CD2 4.48Å; W22-L633 HydrophobicContact CH2-CD2 4.1Å; W22-L633 HydrophobicContact CZ3-CD2 3.64Å; L626-L633 HydrophobicContact CB-CD1 4.1Å; L626-L633 HydrophobicContact CD1-CD1 4.35Å; V628-L633 HydrophobicContact CG2-CD1 4.24Å; L633-L635 VanDerWaalsContact C-N 3.31Å; L633-L635 HydrophobicContact CD2-CB 3.66Å; L633-L635 HydrophobicContact CD2-CD2 4.28Å; L633-L635 HydrophobicContact CD2-CG 4.41Å; L633-L635 HydrophobicContact CG-CB 4.1Å; L633-K636 PolarHBondContact O-NZ 2.93Å; L633-L682 HydrophobicContact CD1-CD1 4.34Å; L633-C696 HydrophobicContact CD1-CB 4Å
634	L	91.8	Very high	90.7	Very high	54 Å²	54	52.7 Å²	52.7	28%	0.283	23%	0.232	S	C	.	.	S	Bend	trans	-77	-21.9	177.2	-148.9	75.3	0	0	0	112.3	I627 E629 K636 G660	I627-L634 HydrophobicContact CG2-CD2 4.44Å; I627-L634 PolarHBondContact O-N 3.03Å; I627-L634 VanDerWaalsContact O-N 3.15Å; E629-L634 HydrophobicContact CB-CD1 4.36Å; E629-L634 HydrophobicContact CG-CD1 4.28Å; L634-K636 PolarHBondContact O-N 2.86Å; L634-G660 VanDerWaalsContact CD2-O 3.31Å; L634-G660 WeakPolarHBondContact CD2-O 3.24Å
635	L	91.4	Very high	90.3	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.016	26%	0.256	C	S	.	.			trans	-71.7	122.1	173.4	179.8	70	0	0	0	110	I17 W22 V29 L626 L633 H639 I640 L656 V661	I17-L635 HydrophobicContact CD1-CD2 4.44Å; I17-L635 HydrophobicContact CD1-CG 4.15Å; W22-L635 HydrophobicContact CH2-CD2 4.36Å; W22-L635 HydrophobicContact CZ3-CD2 4.06Å; V29-L635 HydrophobicContact CG2-CD2 4.08Å; L626-L635 HydrophobicContact CD1-CD2 4.38Å; L626-L635 HydrophobicContact CD2-CB 4.16Å; L626-L635 HydrophobicContact CD2-CD2 3.85Å; L633-L635 VanDerWaalsContact C-N 3.31Å; L633-L635 HydrophobicContact CD2-CB 3.66Å; L633-L635 HydrophobicContact CD2-CD2 4.28Å; L633-L635 HydrophobicContact CD2-CG 4.41Å; L633-L635 HydrophobicContact CG-CB 4.1Å; L635-H639 HydrophobicContact CD1-CB 3.83Å; L635-I640 HydrophobicContact CD1-CD1 4.17Å; L635-I640 HydrophobicContact CD2-CD1 4.13Å; L635-I640 HydrophobicContact CG-CD1 4.32Å; L635-L656 HydrophobicContact CD1-CD1 4.06Å; L635-V661 VanDerWaalsContact CA-CG1 3.42Å; L635-V661 HydrophobicContact CB-CG1 3.46Å; L635-V661 VanDerWaalsContact CB-CG1 3.46Å; L635-V661 HydrophobicContact CD1-CG1 3.75Å; L635-V661 HydrophobicContact CG-CG1 4.21Å
636	K	90.7	Very high	89.5	Confident	50 Å²	50	61.5 Å²	61.5	22%	0.217	27%	0.269	C	S	.	.			trans	-112.4	166	-178.6	-56	-54.2	-176.6	-170.1	0	111.8	L633 L634 R638 H639	L633-K636 PolarHBondContact O-NZ 2.93Å; L634-K636 PolarHBondContact O-N 2.86Å; K636-R638 VanDerWaalsContact C-N 3.32Å; K636-R638 PolarHBondContact O-N 3Å; K636-H639 PolarHBondContact N-ND1 2.81Å; K636-H639 PolarHBondContact O-N 2.8Å
637	R	89.1	Confident	88.5	Confident	128 Å²	128	69.7 Å²	69.7	48%	0.483	31%	0.308	S	S	.	.	H	α-helix	trans	-62.2	-37.1	-179.8	172.7	-177.9	179	176.1	1	112.3	D15 I17 H639 I640 D641	D15-R637 PolarHBondContact O-N 2.82Å; D15-R637 VanDerWaalsContact O-N 3.11Å; D15-R637 WeakPolarHBondContact OD1-CB 3.31Å; I17-R637 HydrophobicContact CG1-CB 4.31Å; R637-H639 VanDerWaalsContact C-N 3.29Å; R637-H639 PolarHBondContact O-N 3.09Å; R637-I640 WeakPolarHBondContact O-CA 3.07Å; R637-I640 WeakPolarHBondContact O-CB 3.42Å; R637-I640 PolarHBondContact O-N 2.78Å; R637-D641 IonicContact NE-OD2 3.2Å; R637-D641 PolarHBondContact O-N 2.93Å
638	R	89.4	Confident	87.7	Confident	153 Å²	153	79.6 Å²	79.6	58%	0.577	35%	0.346	S	S	*	.	H	α-helix	trans	-47.9	-46.7	171.4	178.5	179.3	169.6	84.3	-1.2	113.7	D15 K636 I640 D641 Q642	D15-R638 PolarHBondContact OD1-N 2.71Å; D15-R638 WeakPolarHBondContact OD2-CB 3.39Å; K636-R638 VanDerWaalsContact C-N 3.32Å; K636-R638 PolarHBondContact O-N 3Å; R638-I640 VanDerWaalsContact C-N 3.3Å; R638-I640 PolarHBondContact O-N 2.74Å; R638-D641 PolarHBondContact O-N 2.81Å; R638-Q642 VanDerWaalsContact O-CG 3.32Å; R638-Q642 WeakPolarHBondContact O-CG 3.4Å; R638-Q642 PolarHBondContact O-N 2.92Å
639	H	90.3	Very high	87	Confident	33 Å²	33	83.6 Å²	83.6	15%	0.153	37%	0.368	C	S	.	.	H	α-helix	trans	-64.1	-37.1	179.4	-57.8	142.6	0	0	0	111.7	L635 K636 R637 L643 L656	L635-H639 HydrophobicContact CD1-CB 3.83Å; K636-H639 PolarHBondContact N-ND1 2.81Å; K636-H639 PolarHBondContact O-N 2.8Å; R637-H639 VanDerWaalsContact C-N 3.29Å; R637-H639 PolarHBondContact O-N 3.09Å; H639-L643 WeakPolarHBondContact O-CB 3.48Å; H639-L643 VanDerWaalsContact O-CG 3.25Å; H639-L643 WeakPolarHBondContact O-CG 3.25Å; H639-L643 PolarHBondContact O-N 3.07Å; H639-L656 HydrophobicContact CB-CD1 4.13Å
640	I	90.8	Very high	86.6	Confident	5 Å²	5	86 Å²	86	3%	0.026	38%	0.383	C	S	.	.	H	α-helix	trans	-68.1	-42.5	178.3	-56.9	-58.4	0	0	0	111	I17 A25 I28 V29 L635 R637 R638 L643 K644	I17-I640 HydrophobicContact CD1-CG1 3.96Å; A25-I640 HydrophobicContact CB-CD1 3.99Å; A25-I640 HydrophobicContact CB-CG1 4.06Å; A25-I640 HydrophobicContact CB-CG2 4.26Å; I28-I640 HydrophobicContact CD1-CG2 3.93Å; V29-I640 HydrophobicContact CG2-CD1 3.58Å; L635-I640 HydrophobicContact CD1-CD1 4.17Å; L635-I640 HydrophobicContact CD2-CD1 4.13Å; L635-I640 HydrophobicContact CG-CD1 4.32Å; R637-I640 WeakPolarHBondContact O-CA 3.07Å; R637-I640 WeakPolarHBondContact O-CB 3.42Å; R637-I640 PolarHBondContact O-N 2.78Å; R638-I640 VanDerWaalsContact C-N 3.3Å; R638-I640 PolarHBondContact O-N 2.74Å; I640-L643 PolarHBondContact O-N 3.25Å; I640-K644 WeakPolarHBondContact O-CG 3.45Å; I640-K644 PolarHBondContact O-N 2.77Å
641	D	89.6	Confident	86.6	Confident	52 Å²	52	77.5 Å²	77.5	28%	0.278	35%	0.346	S	S	.	.	H	α-helix	trans	-68.1	-38.1	179.3	-68.9	-24.2	0	0	0	111	R637 R638 L643 K644 E645	R637-D641 IonicContact NE-OD2 3.2Å; R637-D641 PolarHBondContact O-N 2.93Å; R638-D641 PolarHBondContact O-N 2.81Å; D641-L643 VanDerWaalsContact C-N 3.33Å; D641-L643 PolarHBondContact O-N 3.31Å; D641-K644 PolarHBondContact O-N 3.38Å; D641-K644 IonicContact OD1-NZ 2.99Å; D641-K644 PolarHBondContact OD1-NZ 3Å; D641-E645 WeakPolarHBondContact O-CG 3.35Å; D641-E645 PolarHBondContact O-N 3.11Å
642	Q	89.6	Confident	86.9	Confident	31 Å²	31	76.2 Å²	76.2	15%	0.145	34%	0.343	C	S	.	.	H	α-helix	trans	-59.9	-39.5	169.2	-71.9	173.6	-27.2	0	0	112.9	R638 E645 R646 Y651	R638-Q642 VanDerWaalsContact O-CG 3.32Å; R638-Q642 WeakPolarHBondContact O-CG 3.4Å; R638-Q642 PolarHBondContact O-N 2.92Å; Q642-E645 CarbonylContact O-C 3.53Å; Q642-E645 PolarHBondContact O-N 3.4Å; Q642-R646 PolarHBondContact O-N 3.09Å; Q642-Y651 HydrophobicContact CB-CD1 3.87Å; Q642-Y651 HydrophobicContact CB-CE1 4.26Å; Q642-Y651 HydrophobicContact CB-CG 4.06Å
643	L	88.9	Confident	87.1	Confident	10 Å²	10	71.9 Å²	71.9	5%	0.052	32%	0.324	C	S	.	.	H	α-helix	trans	-69.6	-32.6	176.4	-74.2	169.4	0	0	0	112.9	I28 V29 H639 I640 D641 R646 Y651 L656	I28-L643 HydrophobicContact CG2-CB 3.83Å; V29-L643 HydrophobicContact CG2-CD1 3.99Å; H639-L643 WeakPolarHBondContact O-CB 3.48Å; H639-L643 VanDerWaalsContact O-CG 3.25Å; H639-L643 WeakPolarHBondContact O-CG 3.25Å; H639-L643 PolarHBondContact O-N 3.07Å; I640-L643 PolarHBondContact O-N 3.25Å; D641-L643 VanDerWaalsContact C-N 3.33Å; D641-L643 PolarHBondContact O-N 3.31Å; L643-R646 WeakPolarHBondContact O-CB 3.45Å; L643-R646 PolarHBondContact O-N 2.75Å; L643-Y651 HydrophobicContact CD2-CD1 3.72Å; L643-Y651 HydrophobicContact CD2-CE1 4.15Å; L643-Y651 HydrophobicContact CG-CD1 3.93Å; L643-Y651 HydrophobicContact CG-CE1 4.15Å; L643-L656 HydrophobicContact CD1-CD2 4.3Å
644	K	87.6	Confident	87.1	Confident	121 Å²	121	75 Å²	75	53%	0.526	34%	0.337	S	S	.	.	H	α-helix	trans	-67.8	-38.5	172.5	-70.4	173.5	-167.6	151.4	0	111.5	I28 I640 D641 R646	I28-K644 HydrophobicContact CD1-CD 4.26Å; I28-K644 VanDerWaalsContact CD1-CE 3.46Å; I28-K644 HydrophobicContact CD1-CG 3.89Å; I28-K644 HydrophobicContact CG2-CG 4.45Å; I640-K644 WeakPolarHBondContact O-CG 3.45Å; I640-K644 PolarHBondContact O-N 2.77Å; D641-K644 PolarHBondContact O-N 3.38Å; D641-K644 IonicContact OD1-NZ 2.99Å; D641-K644 PolarHBondContact OD1-NZ 3Å; K644-R646 PolarHBondContact O-N 3.01Å
645	E	88.4	Confident	87.1	Confident	113 Å²	113	75.4 Å²	75.4	53%	0.528	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	7.4	177.8	-66.8	179.9	179.8	0	0	113.4	D641 Q642 E647 Y648 N649	D641-E645 WeakPolarHBondContact O-CG 3.35Å; D641-E645 PolarHBondContact O-N 3.11Å; Q642-E645 CarbonylContact O-C 3.53Å; Q642-E645 PolarHBondContact O-N 3.4Å; E645-E647 PolarHBondContact O-N 2.87Å; E645-E647 VanDerWaalsContact O-N 3.09Å; E645-Y648 PolarHBondContact O-N 3.11Å; E645-N649 PolarHBondContact O-N 3.26Å
646	R	79	Confident	87.1	Confident	75 Å²	75	75.3 Å²	75.3	28%	0.283	34%	0.34	S	S	.	.	H	α-helix	trans	-52.1	-34.6	-176.8	171.4	174.5	170.8	-124.2	2.1	114	D35 Q642 L643 K644 Y648 N650 Y651	D35-R646 VanDerWaalsContact CB-NH1 3.3Å; D35-R646 IonicContact OD2-CZ 3.31Å; D35-R646 IonicContact OD2-NH1 2.78Å; D35-R646 PolarHBondContact OD2-NH1 3.45Å; Q642-R646 PolarHBondContact O-N 3.09Å; L643-R646 WeakPolarHBondContact O-CB 3.45Å; L643-R646 PolarHBondContact O-N 2.75Å; K644-R646 PolarHBondContact O-N 3.01Å; R646-Y648 PolarHBondContact O-N 2.82Å; R646-Y648 VanDerWaalsContact O-N 3.13Å; R646-N650 PolarHBondContact O-N 3.47Å; R646-N650 VanDerWaalsContact O-N 3.13Å; R646-Y651 VanDerWaalsContact CD-O 3.24Å; R646-Y651 WeakPolarHBondContact CD-O 3.5Å; R646-Y651 VanDerWaalsContact CG-O 3.24Å; R646-Y651 WeakPolarHBondContact CG-O 3.44Å
647	E	74.8	Confident	87.2	Confident	173 Å²	173	73.3 Å²	73.3	81%	0.808	33%	0.331	S	S	*	.	H	α-helix	trans	-58.9	-23.5	177.6	-65.4	-171.8	170.3	0	0	112.8	E645	E645-E647 PolarHBondContact O-N 2.87Å; E645-E647 VanDerWaalsContact O-N 3.09Å
648	Y	80.2	Confident	87.2	Confident	208 Å²	208	69.3 Å²	69.3	82%	0.816	33%	0.326	S	S	*	.	H	α-helix	trans	-111.9	-38.1	179.3	-55.6	-80.9	0	0	0	113.3	E645 R646	E645-Y648 PolarHBondContact O-N 3.11Å; R646-Y648 PolarHBondContact O-N 2.82Å; R646-Y648 VanDerWaalsContact O-N 3.13Å
649	N	77	Confident	87.3	Confident	92 Å²	92	65 Å²	65	49%	0.492	32%	0.319	S	S	.	.	H	α-helix	trans	-94.5	-3.4	-170.7	-157.3	5.9	0	0	0	113.9	E645 Y651	E645-N649 PolarHBondContact O-N 3.26Å; N649-Y651 PolarHBondContact O-N 3Å
650	N	80.8	Confident	87.2	Confident	138 Å²	138	63.8 Å²	63.8	74%	0.738	32%	0.316	S	S	*	.			trans	53.2	24.1	-179.8	-162.6	34.3	0	0	0	115.2	R646 S652	R646-N650 PolarHBondContact O-N 3.47Å; R646-N650 VanDerWaalsContact O-N 3.13Å; N650-S652 PolarHBondContact O-N 3.4Å
651	Y	86.9	Confident	87.3	Confident	28 Å²	28	63.6 Å²	63.6	11%	0.11	32%	0.315	C	S	.	.			trans	-74.3	116.6	177.1	-165.5	-106.6	0	0	0	110.3	Q642 L643 R646 N649 D655 L656 S659	Q642-Y651 HydrophobicContact CB-CD1 3.87Å; Q642-Y651 HydrophobicContact CB-CE1 4.26Å; Q642-Y651 HydrophobicContact CB-CG 4.06Å; L643-Y651 HydrophobicContact CD2-CD1 3.72Å; L643-Y651 HydrophobicContact CD2-CE1 4.15Å; L643-Y651 HydrophobicContact CG-CD1 3.93Å; L643-Y651 HydrophobicContact CG-CE1 4.15Å; R646-Y651 VanDerWaalsContact CD-O 3.24Å; R646-Y651 WeakPolarHBondContact CD-O 3.5Å; R646-Y651 VanDerWaalsContact CG-O 3.24Å; R646-Y651 WeakPolarHBondContact CG-O 3.44Å; N649-Y651 PolarHBondContact O-N 3Å; Y651-D655 HydrophobicContact CD2-CB 3.82Å; Y651-D655 HydrophobicContact CE2-CB 3.59Å; Y651-D655 HydrophobicContact CG-CB 4.44Å; Y651-L656 HydrophobicContact CE1-CD1 4.48Å; Y651-S659 PolarHBondContact OH-OG 3.02Å
652	S	89.5	Confident	87.5	Confident	24 Å²	24	61.3 Å²	61.3	17%	0.168	30%	0.303	C	S	.	.			trans	-107	173.1	-170	107.5	0	0	0	0	113.2	E36 N650 Q654 D655 L656	E36-S652 VanDerWaalsContact OE2-CB 3.27Å; E36-S652 WeakPolarHBondContact OE2-CB 3.42Å; E36-S652 PolarHBondContact OE2-OG 2.91Å; N650-S652 PolarHBondContact O-N 3.4Å; S652-Q654 VanDerWaalsContact C-N 3.27Å; S652-Q654 PolarHBondContact O-N 3.26Å; S652-Q654 VanDerWaalsContact OG-CB 3.32Å; S652-Q654 WeakPolarHBondContact OG-CB 3.15Å; S652-Q654 PolarHBondContact OG-N 3.31Å; S652-Q654 VanDerWaalsContact OG-N 3.09Å; S652-D655 PolarHBondContact N-OD2 3.13Å; S652-D655 PolarHBondContact O-N 3.1Å; S652-L656 PolarHBondContact O-N 2.62Å
653	W	92.9	Very high	87.8	Confident	1 Å²	1	60.2 Å²	60.2	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-38.8	172.5	167.6	-93.2	0	0	0	111.2	V29 Y33 E36 P624 D655 L656 V657 V662 Y664 I698	V29-W653 HydrophobicContact CG1-CZ3 3.75Å; Y33-W653 AromaticContact CD2-CD2 3.94Å; Y33-W653 HydrophobicContact CD2-CD2 3.94Å; Y33-W653 AromaticContact CD2-CE2 3.57Å; Y33-W653 HydrophobicContact CD2-CE3 4.38Å; Y33-W653 HydrophobicContact CD2-CG 4.45Å; Y33-W653 HydrophobicContact CD2-CH2 4.09Å; Y33-W653 AromaticContact CD2-CZ2 3.66Å; Y33-W653 HydrophobicContact CD2-CZ2 3.66Å; Y33-W653 HydrophobicContact CD2-CZ3 4.44Å; Y33-W653 AromaticContact CD2-NE1 3.9Å; Y33-W653 HydrophobicContact CE2-CZ2 4.31Å; E36-W653 HydrophobicContact CB-CB 4.22Å; E36-W653 WeakPolarHBondContact OE2-CA 3.37Å; E36-W653 WeakPolarHBondContact OE2-CB 3.49Å; E36-W653 PolarHBondContact OE2-N 3.4Å; P624-W653 HydrophobicContact CB-CH2 3.86Å; P624-W653 HydrophobicContact CB-CZ2 3.62Å; P624-W653 HydrophobicContact CG-CH2 4.28Å; P624-W653 HydrophobicContact CG-CZ2 4.14Å; W653-D655 VanDerWaalsContact C-N 3.28Å; W653-D655 PolarHBondContact O-N 2.88Å; W653-L656 HydrophobicContact CE3-CD2 4.02Å; W653-L656 HydrophobicContact CZ3-CD2 3.98Å; W653-L656 WeakPolarHBondContact O-CB 3.37Å; W653-L656 PolarHBondContact O-N 2.87Å; W653-L656 VanDerWaalsContact O-N 3.14Å; W653-V657 HydrophobicContact CD2-CG2 4.37Å; W653-V657 HydrophobicContact CZ2-CG2 4.04Å; W653-V657 WeakPolarHBondContact O-CG2 3.46Å; W653-V657 PolarHBondContact O-N 2.82Å; W653-V662 HydrophobicContact CH2-CB 4.27Å; W653-V662 HydrophobicContact CH2-CG1 3.6Å; W653-V662 HydrophobicContact CH2-CG2 4.03Å; W653-V662 HydrophobicContact CZ2-CB 4.48Å; W653-V662 HydrophobicContact CZ2-CG1 3.67Å; W653-V662 HydrophobicContact CZ3-CG2 4.35Å; W653-Y664 AromaticContact NE1-CZ 3.97Å; W653-Y664 PolarHBondContact NE1-OH 2.68Å; W653-I698 HydrophobicContact CH2-CD1 4.29Å
654	Q	91.3	Very high	88.1	Confident	82 Å²	82	60.2 Å²	60.2	38%	0.383	30%	0.297	S	S	.	.	H	α-helix	trans	-55.5	-42.2	174.2	-161.8	81.5	12	0	0	111.9	E36 S652 L656 V657 A658	E36-Q654 PolarHBondContact OE1-OE1 2.9Å; E36-Q654 PolarHBondContact OE2-N 2.99Å; S652-Q654 VanDerWaalsContact C-N 3.27Å; S652-Q654 PolarHBondContact O-N 3.26Å; S652-Q654 VanDerWaalsContact OG-CB 3.32Å; S652-Q654 WeakPolarHBondContact OG-CB 3.15Å; S652-Q654 PolarHBondContact OG-N 3.31Å; S652-Q654 VanDerWaalsContact OG-N 3.09Å; Q654-L656 VanDerWaalsContact C-N 3.34Å; Q654-L656 PolarHBondContact O-N 3.29Å; Q654-V657 PolarHBondContact O-N 2.54Å; Q654-A658 WeakPolarHBondContact O-CB 3.46Å; Q654-A658 PolarHBondContact O-N 3.33Å
655	D	91.3	Very high	88.5	Confident	64 Å²	64	54.5 Å²	54.5	34%	0.342	27%	0.272	S	S	.	.	H	α-helix	trans	-66.4	-36.1	177.5	-59	-40.3	0	0	0	112	Y651 S652 W653 V657 A658 S659	Y651-D655 HydrophobicContact CD2-CB 3.82Å; Y651-D655 HydrophobicContact CE2-CB 3.59Å; Y651-D655 HydrophobicContact CG-CB 4.44Å; S652-D655 PolarHBondContact N-OD2 3.13Å; S652-D655 PolarHBondContact O-N 3.1Å; W653-D655 VanDerWaalsContact C-N 3.28Å; W653-D655 PolarHBondContact O-N 2.88Å; D655-V657 VanDerWaalsContact C-N 3.34Å; D655-A658 PolarHBondContact O-N 3.07Å; D655-S659 WeakPolarHBondContact O-CB 3.45Å; D655-S659 PolarHBondContact O-N 2.94Å; D655-S659 PolarHBondContact O-OG 3.2Å
656	L	91.5	Very high	88.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-38.2	175	-171.5	69	0	0	0	112.1	V29 L635 H639 L643 Y651 S652 W653 Q654 V661 V662	V29-L656 HydrophobicContact CG1-CD2 3.95Å; L635-L656 HydrophobicContact CD1-CD1 4.06Å; H639-L656 HydrophobicContact CB-CD1 4.13Å; L643-L656 HydrophobicContact CD1-CD2 4.3Å; Y651-L656 HydrophobicContact CE1-CD1 4.48Å; S652-L656 PolarHBondContact O-N 2.62Å; W653-L656 HydrophobicContact CE3-CD2 4.02Å; W653-L656 HydrophobicContact CZ3-CD2 3.98Å; W653-L656 WeakPolarHBondContact O-CB 3.37Å; W653-L656 PolarHBondContact O-N 2.87Å; W653-L656 VanDerWaalsContact O-N 3.14Å; Q654-L656 VanDerWaalsContact C-N 3.34Å; Q654-L656 PolarHBondContact O-N 3.29Å; L656-V661 HydrophobicContact CD1-CB 4.23Å; L656-V661 HydrophobicContact CD1-CG2 4.32Å; L656-V662 HydrophobicContact CD2-CG2 4.03Å; L656-V662 HydrophobicContact CG-CG2 4.27Å
657	V	92.3	Very high	89.7	Confident	8 Å²	8	46 Å²	46	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-71	-39.4	174.1	-175	0	0	0	0	110.3	M594 W653 Q654 D655 S659 G660 V662 Y664	M594-V657 HydrophobicContact CE-CB 3.33Å; M594-V657 HydrophobicContact CE-CG1 3.17Å; W653-V657 HydrophobicContact CD2-CG2 4.37Å; W653-V657 HydrophobicContact CZ2-CG2 4.04Å; W653-V657 WeakPolarHBondContact O-CG2 3.46Å; W653-V657 PolarHBondContact O-N 2.82Å; Q654-V657 PolarHBondContact O-N 2.54Å; D655-V657 VanDerWaalsContact C-N 3.34Å; V657-S659 VanDerWaalsContact C-N 3.26Å; V657-S659 PolarHBondContact O-N 3.21Å; V657-G660 PolarHBondContact O-N 3.06Å; V657-V662 HydrophobicContact CG2-CB 4.35Å; V657-V662 HydrophobicContact CG2-CG1 4.46Å; V657-Y664 HydrophobicContact CG2-CE2 4.36Å
658	A	90	Very high	90.7	Very high	45 Å²	45	38.3 Å²	38.3	37%	0.372	20%	0.2	S	C	.	.	H	α-helix	trans	-67.5	-27.4	178.4	0	0	0	0	0	112.6	M594 Q654 D655 G660	M594-A658 HydrophobicContact CE-CB 4.18Å; M594-A658 HydrophobicContact SD-CB 4.23Å; Q654-A658 WeakPolarHBondContact O-CB 3.46Å; Q654-A658 PolarHBondContact O-N 3.33Å; D655-A658 PolarHBondContact O-N 3.07Å; A658-G660 PolarHBondContact O-N 3.27Å
659	S	90	Very high	91.5	Very high	61 Å²	61	28.4 Å²	28.4	43%	0.427	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-3.1	170.8	-59.3	0	0	0	0	113	Y651 D655 V657 V661	Y651-S659 PolarHBondContact OH-OG 3.02Å; D655-S659 WeakPolarHBondContact O-CB 3.45Å; D655-S659 PolarHBondContact O-N 2.94Å; D655-S659 PolarHBondContact O-OG 3.2Å; V657-S659 VanDerWaalsContact C-N 3.26Å; V657-S659 PolarHBondContact O-N 3.21Å; S659-V661 VanDerWaalsContact C-N 3.3Å; S659-V661 PolarHBondContact O-N 3.44Å
660	G	89.9	Confident	92.4	Very high	8 Å²	8	25.5 Å²	25.5	8%	0.082	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	23.4	177.1	0	0	0	0	0	114.2	I627 L634 V657 A658	I627-G660 WeakPolarHBondContact CD1-O 3.42Å; L634-G660 VanDerWaalsContact CD2-O 3.31Å; L634-G660 WeakPolarHBondContact CD2-O 3.24Å; V657-G660 PolarHBondContact O-N 3.06Å; A658-G660 PolarHBondContact O-N 3.27Å
661	V	92.3	Very high	93	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	14%	0.136	C	C	.	.	S	Bend	trans	-91.2	-29.9	-177.1	-170.4	0	0	0	0	112.1	L626 I627 L635 L656 S659	L626-V661 HydrophobicContact CD2-CG1 4.46Å; I627-V661 PolarHBondContact N-O 2.72Å; L635-V661 VanDerWaalsContact CA-CG1 3.42Å; L635-V661 HydrophobicContact CB-CG1 3.46Å; L635-V661 VanDerWaalsContact CB-CG1 3.46Å; L635-V661 HydrophobicContact CD1-CG1 3.75Å; L635-V661 HydrophobicContact CG-CG1 4.21Å; L656-V661 HydrophobicContact CD1-CB 4.23Å; L656-V661 HydrophobicContact CD1-CG2 4.32Å; S659-V661 VanDerWaalsContact C-N 3.3Å; S659-V661 PolarHBondContact O-N 3.44Å
662	V	94.4	Very high	93.4	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.024	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.4	-179.3	174.2	0	0	0	0	109.8	P624 L625 L626 W653 L656 V657	P624-V662 HydrophobicContact CB-CG1 3.7Å; L625-V662 CarbonylContact O-C 3.5Å; L625-V662 VanDerWaalsContact O-CA 3.27Å; L625-V662 WeakPolarHBondContact O-CA 3.41Å; L625-V662 WeakPolarHBondContact O-CG1 3.47Å; L626-V662 HydrophobicContact CD2-CG2 3.75Å; W653-V662 HydrophobicContact CH2-CB 4.27Å; W653-V662 HydrophobicContact CH2-CG1 3.6Å; W653-V662 HydrophobicContact CH2-CG2 4.03Å; W653-V662 HydrophobicContact CZ2-CB 4.48Å; W653-V662 HydrophobicContact CZ2-CG1 3.67Å; W653-V662 HydrophobicContact CZ3-CG2 4.35Å; L656-V662 HydrophobicContact CD2-CG2 4.03Å; L656-V662 HydrophobicContact CG-CG2 4.27Å; V657-V662 HydrophobicContact CG2-CB 4.35Å; V657-V662 HydrophobicContact CG2-CG1 4.46Å
663	E	94.3	Very high	93.6	Very high	7 Å²	7	26.1 Å²	26.1	3%	0.033	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.9	176.5	-158.7	166	169.4	0	0	111.3	R591 R592 P624 L625 I627 I665 H695	R591-E663 WeakPolarHBondContact CD-OE1 3.45Å; R591-E663 IonicContact CZ-OE1 3.75Å; R591-E663 IonicContact NE-OE1 3.06Å; R591-E663 PolarHBondContact NE-OE1 3.4Å; R591-E663 IonicContact NH1-OE1 3.63Å; R591-E663 PolarHBondContact NH1-OE1 3.33Å; R592-E663 IonicContact CZ-OE2 3.97Å; R592-E663 IonicContact NE-OE2 2.69Å; R592-E663 PolarHBondContact NE-OE2 2.66Å; R592-E663 IonicContact NH2-OE2 2.81Å; P624-E663 CarbonylContact C-O 3.55Å; P624-E663 WeakPolarHBondContact CA-O 3.22Å; L625-E663 PolarHBondContact N-O 3.26Å; L625-E663 PolarHBondContact O-N 3.26Å; I627-E663 HydrophobicContact CD1-CB 3.97Å; I627-E663 HydrophobicContact CG1-CB 4.08Å; E663-I665 HydrophobicContact CB-CD1 4.22Å; E663-I665 HydrophobicContact CG-CD1 3.96Å; E663-H695 IonicContact OE2-NE2 3.92Å
664	Y	95.6	Very high	93.7	Very high	11 Å²	11	29.2 Å²	29.2	4%	0.043	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	102.9	176.8	-80	-85.3	0	0	0	110.9	Y531 R591 R623 P624 W653 V657	Y531-Y664 HydrophobicContact CD1-CD1 4.37Å; Y531-Y664 HydrophobicContact CD1-CE1 4.3Å; Y531-Y664 HydrophobicContact CG-CE1 4.2Å; R591-Y664 PolarHBondContact NH2-O 3.29Å; R623-Y664 CarbonylContact O-C 3.58Å; P624-Y664 HydrophobicContact CB-CD1 4.23Å; P624-Y664 HydrophobicContact CB-CE1 4.05Å; P624-Y664 HydrophobicContact CG-CE1 4.29Å; W653-Y664 AromaticContact NE1-CZ 3.97Å; W653-Y664 PolarHBondContact NE1-OH 2.68Å; V657-Y664 HydrophobicContact CG2-CE2 4.36Å
665	I	96.8	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.1	-177.5	-57	-55	0	0	0	109.8	C622 R623 L625 E663 E669 E670 V673	C622-I665 CarbonylContact C-O 3.54Å; C622-I665 WeakPolarHBondContact CA-O 3.38Å; C622-I665 VanDerWaalsContact CB-O 3.23Å; C622-I665 WeakPolarHBondContact CB-O 3.17Å; R623-I665 PolarHBondContact N-O 3.2Å; R623-I665 PolarHBondContact O-N 3.4Å; L625-I665 HydrophobicContact CB-CG1 4.47Å; L625-I665 HydrophobicContact CD1-CB 3.85Å; L625-I665 HydrophobicContact CD1-CG1 3.76Å; L625-I665 HydrophobicContact CD1-CG2 4.43Å; L625-I665 HydrophobicContact CG-CG1 4.49Å; E663-I665 HydrophobicContact CB-CD1 4.22Å; E663-I665 HydrophobicContact CG-CD1 3.96Å; I665-E669 HydrophobicContact CD1-CG 4.19Å; I665-E669 HydrophobicContact CG2-CB 3.96Å; I665-E669 HydrophobicContact CG2-CG 4.03Å; I665-E670 HydrophobicContact CG2-CB 4.18Å; I665-V673 HydrophobicContact CG2-CG2 4.32Å
666	D	96.4	Very high	94	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	168.1	172.6	84.3	3	0	0	0	112.1	S602 R620 I621 C622 L668 E669 E670	S602-D666 VanDerWaalsContact CB-CG 3.43Å; S602-D666 WeakPolarHBondContact CB-OD2 3.4Å; S602-D666 PolarHBondContact OG-OD1 2.94Å; S602-D666 PolarHBondContact OG-OD2 3.25Å; R620-D666 WeakPolarHBondContact CD-OD2 3.43Å; R620-D666 IonicContact NH1-OD2 2.9Å; R620-D666 PolarHBondContact NH1-OD2 3.39Å; I621-D666 WeakPolarHBondContact O-CA 3.43Å; I621-D666 WeakPolarHBondContact O-CB 3.37Å; C622-D666 HydrophobicContact CB-CB 3.85Å; D666-L668 PolarHBondContact O-N 3.49Å; D666-L668 VanDerWaalsContact O-N 3.11Å; D666-L668 PolarHBondContact OD1-N 3.15Å; D666-E669 PolarHBondContact O-N 3.12Å; D666-E669 WeakPolarHBondContact OD1-CB 2.92Å; D666-E669 PolarHBondContact OD1-N 3.46Å; D666-E670 WeakPolarHBondContact O-CB 3.4Å; D666-E670 PolarHBondContact O-N 2.82Å
667	T	96.4	Very high	93.9	Very high	6 Å²	6	28 Å²	28	4%	0.037	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.1	-176	46.4	0	0	0	0	115.1	G389 M508 I621	G389-T667 WeakPolarHBondContact CA-OG1 3.23Å; G389-T667 PolarHBondContact N-OG1 2.92Å; M508-T667 HydrophobicContact CE-CG2 3.7Å; M508-T667 HydrophobicContact CG-CG2 3.61Å; M508-T667 HydrophobicContact SD-CG2 4.2Å; I621-T667 HydrophobicContact CG2-CG2 3.97Å
668	L	95.7	Very high	93.7	Very high	11 Å²	11	30 Å²	30	6%	0.058	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-36.9	-178.9	-162.2	72.9	0	0	0	110.4	I604 Y615 D666 E670 E671	I604-L668 HydrophobicContact CD1-CB 4.27Å; I604-L668 HydrophobicContact CD1-CD2 3.82Å; I604-L668 HydrophobicContact CD1-CG 4.25Å; I604-L668 HydrophobicContact CG1-CB 4.17Å; I604-L668 HydrophobicContact CG1-CD2 4.12Å; I604-L668 HydrophobicContact CG1-CG 4.06Å; Y615-L668 HydrophobicContact CD2-CD2 4.12Å; Y615-L668 HydrophobicContact CE2-CD2 3.48Å; Y615-L668 VanDerWaalsContact CE2-CD2 3.48Å; D666-L668 PolarHBondContact O-N 3.49Å; D666-L668 VanDerWaalsContact O-N 3.11Å; D666-L668 PolarHBondContact OD1-N 3.15Å; L668-E670 VanDerWaalsContact C-N 3.28Å; L668-E671 PolarHBondContact O-N 3.38Å
669	E	95.5	Very high	93.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-65.1	-35.5	169.2	-171.6	170.8	-163.7	0	0	111	R591 I604 I665 D666 E671 T672 V673	R591-E669 IonicContact CZ-OE2 2.68Å; R591-E669 IonicContact NH1-OE1 2.78Å; R591-E669 PolarHBondContact NH1-OE1 3.28Å; R591-E669 VanDerWaalsContact NH1-OE1 3.15Å; R591-E669 IonicContact NH1-OE2 3.92Å; R591-E669 PolarHBondContact NH1-OE2 3.03Å; R591-E669 IonicContact NH2-OE2 3.91Å; I604-E669 HydrophobicContact CG1-CB 4.19Å; I665-E669 HydrophobicContact CD1-CG 4.19Å; I665-E669 HydrophobicContact CG2-CB 3.96Å; I665-E669 HydrophobicContact CG2-CG 4.03Å; D666-E669 PolarHBondContact O-N 3.12Å; D666-E669 WeakPolarHBondContact OD1-CB 2.92Å; D666-E669 PolarHBondContact OD1-N 3.46Å; E669-E671 PolarHBondContact O-N 3.01Å; E669-E671 VanDerWaalsContact O-N 3.15Å; E669-T672 PolarHBondContact O-N 2.87Å; E669-T672 PolarHBondContact O-OG1 3.25Å; E669-V673 HydrophobicContact CG-CG1 4.43Å; E669-V673 PolarHBondContact O-N 3.48Å
670	E	96.1	Very high	93.3	Very high	30 Å²	30	29.6 Å²	29.6	14%	0.14	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-55.2	-29	176.1	-166.7	165	-159.8	0	0	113.6	R623 I665 D666 L668 T672 V673 L675	R623-E670 IonicContact CZ-OE1 3.37Å; R623-E670 IonicContact NE-OE1 3.59Å; R623-E670 PolarHBondContact NE-OE1 2.83Å; R623-E670 IonicContact NE-OE2 3.31Å; R623-E670 IonicContact NH2-OE1 2.87Å; R623-E670 PolarHBondContact NH2-OE1 3.39Å; I665-E670 HydrophobicContact CG2-CB 4.18Å; D666-E670 WeakPolarHBondContact O-CB 3.4Å; D666-E670 PolarHBondContact O-N 2.82Å; L668-E670 VanDerWaalsContact C-N 3.28Å; E670-T672 VanDerWaalsContact C-N 3.25Å; E670-T672 PolarHBondContact O-N 3.13Å; E670-V673 WeakPolarHBondContact O-CG2 3.21Å; E670-L675 HydrophobicContact CG-CD1 4.24Å
671	E	94.7	Very high	92.8	Very high	119 Å²	119	32 Å²	32	56%	0.556	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-67.9	-24.5	176.3	-67.9	-178	-145.1	0	0	113.3	H387 L668 E669	H387-E671 IonicContact CD2-OE1 2.85Å; H387-E671 IonicContact CE1-OE1 3.42Å; H387-E671 PolarHBondContact CE1-OE1 3.34Å; H387-E671 IonicContact ND1-OE1 3.04Å; H387-E671 IonicContact NE2-OE1 2.96Å; H387-E671 PolarHBondContact NE2-OE1 3.29Å; L668-E671 PolarHBondContact O-N 3.38Å; E669-E671 PolarHBondContact O-N 3.01Å; E669-E671 VanDerWaalsContact O-N 3.15Å
672	T	94.4	Very high	92.1	Very high	64 Å²	64	32.7 Å²	32.7	39%	0.393	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-16.5	-173.9	64.9	0	0	0	0	113.9	I604 E669 E670	I604-T672 HydrophobicContact CG2-CG2 3.61Å; E669-T672 PolarHBondContact O-N 2.87Å; E669-T672 PolarHBondContact O-OG1 3.25Å; E670-T672 VanDerWaalsContact C-N 3.25Å; E670-T672 PolarHBondContact O-N 3.13Å
673	V	94.9	Very high	90.9	Very high	20 Å²	20	36.3 Å²	36.3	12%	0.121	19%	0.189	C	C	.	.			trans	-90.8	150.3	-178.8	-65.8	0	0	0	0	111	I665 E669 E670 L675	I665-V673 HydrophobicContact CG2-CG2 4.32Å; E669-V673 HydrophobicContact CG-CG1 4.43Å; E669-V673 PolarHBondContact O-N 3.48Å; E670-V673 WeakPolarHBondContact O-CG2 3.21Å; V673-L675 HydrophobicContact CG2-CD1 3.73Å; V673-L675 HydrophobicContact CG2-CG 4.37Å
674	M	94.7	Very high	89.6	Confident	67 Å²	67	42.5 Å²	42.5	33%	0.33	22%	0.217	S	C	.	.			trans	-104.6	118.2	170.6	-171.3	66.9	-171.4	0	0	109.2	Y689 C690 Y693 S694 H695	M674-Y689 HydrophobicContact CE-CE1 4.27Å; M674-C690 HydrophobicContact CE-CB 3.92Å; M674-Y693 HydrophobicContact CE-CD1 4.4Å; M674-Y693 HydrophobicContact CE-CE1 3.81Å; M674-Y693 HydrophobicContact CG-CD1 3.78Å; M674-Y693 HydrophobicContact CG-CE1 4.14Å; M674-S694 PolarHBondContact N-OG 3.37Å; M674-S694 VanDerWaalsContact N-OG 3.08Å; M674-S694 PolarHBondContact O-N 2.95Å; M674-S694 PolarHBondContact O-OG 3.42Å; M674-H695 PolarHBondContact O-N 3.28Å
675	L	94.5	Very high	87.7	Confident	39 Å²	39	52.1 Å²	52.1	20%	0.204	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.7	-177.1	-63.8	103.1	0	0	0	112.4	L625 E670 V673 Y693 H695	L625-L675 HydrophobicContact CD1-CD2 3.34Å; L625-L675 HydrophobicContact CD1-CG 4.41Å; L625-L675 HydrophobicContact CD2-CD2 3.92Å; L625-L675 HydrophobicContact CG-CD2 4.27Å; E670-L675 HydrophobicContact CG-CD1 4.24Å; V673-L675 HydrophobicContact CG2-CD1 3.73Å; V673-L675 HydrophobicContact CG2-CG 4.37Å; L675-Y693 WeakPolarHBondContact O-CE1 3.2Å; L675-H695 CarbonylContact C-O 3.57Å; L675-H695 WeakPolarHBondContact CA-O 3.37Å; L675-H695 HydrophobicContact CG-CB 4.42Å
676	A	92.9	Very high	86.1	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	142.8	165.1	0	0	0	0	0	110.5	L682 Y693 H695 C696 E697	A676-L682 HydrophobicContact CB-CD2 3.66Å; A676-L682 HydrophobicContact CB-CG 4.04Å; A676-Y693 HydrophobicContact CB-CD1 3.72Å; A676-Y693 HydrophobicContact CB-CD2 4.5Å; A676-Y693 HydrophobicContact CB-CE1 3.99Å; A676-Y693 HydrophobicContact CB-CG 3.99Å; A676-H695 PolarHBondContact N-O 2.97Å; A676-C696 HydrophobicContact CB-CB 4.36Å; A676-C696 WeakPolarHBondContact O-CA 3.29Å; A676-E697 PolarHBondContact O-N 3.34Å
677	M	91.1	Very high	84.7	Confident	80 Å²	80	62.4 Å²	62.4	39%	0.394	33%	0.334	S	S	.	.	S	Bend	trans	-80.9	-38.2	-178.4	-73	-67	-62.9	0	0	111.8	W506 D681 E697 P700	W506-M677 HydrophobicContact CH2-CE 4.33Å; W506-M677 HydrophobicContact CZ2-CE 3.91Å; W506-M677 HydrophobicContact CZ2-SD 4.19Å; M677-D681 WeakPolarHBondContact CB-OD2 3.33Å; M677-D681 PolarHBondContact N-OD2 3.15Å; M677-E697 HydrophobicContact SD-CG 4.38Å; M677-P700 HydrophobicContact CE-CB 4.25Å; M677-P700 HydrophobicContact CE-CG 4.18Å
678	T	88.1	Confident	83.2	Confident	49 Å²	49	64.9 Å²	64.9	30%	0.301	36%	0.355	S	S	.	.	S	Bend	trans	-134.5	157.9	173.5	69.1	0	0	0	0	110.2	D680 D681	T678-D680 PolarHBondContact O-N 3.06Å; T678-D680 PolarHBondContact OG1-N 3.35Å; T678-D681 PolarHBondContact N-OD2 3.1Å; T678-D681 WeakPolarHBondContact O-CB 3.28Å; T678-D681 PolarHBondContact O-N 3.25Å; T678-D681 PolarHBondContact OG1-OD1 3.11Å; T678-D681 PolarHBondContact OG1-OD2 2.79Å
679	P	87.3	Confident	82.4	Confident	16 Å²	16	74.7 Å²	74.7	10%	0.104	39%	0.393	C	S	.	.	S	Bend	trans	-65.7	-19.3	172.5	-25.6	37.7	0	0	0	113.9	W22 D681 L682	W22-P679 HydrophobicContact CD2-CG 3.57Å; W22-P679 VanDerWaalsContact CE2-CD 3.47Å; W22-P679 HydrophobicContact CE3-CG 3.93Å; W22-P679 HydrophobicContact CG-CG 4.14Å; W22-P679 HydrophobicContact CH2-CG 3.88Å; W22-P679 HydrophobicContact CZ2-CG 3.48Å; W22-P679 VanDerWaalsContact CZ2-CG 3.48Å; W22-P679 HydrophobicContact CZ3-CG 4.08Å; W22-P679 VanDerWaalsContact NE1-CD 3.3Å; P679-D681 VanDerWaalsContact C-N 3.28Å; P679-D681 PolarHBondContact O-N 3.09Å; P679-L682 VanDerWaalsContact O-CB 3.31Å; P679-L682 WeakPolarHBondContact O-CB 3.2Å; P679-L682 PolarHBondContact O-N 3.04Å; P679-L682 VanDerWaalsContact O-N 3.12Å
680	D	82.8	Confident	81.8	Confident	82 Å²	82	75.7 Å²	75.7	44%	0.439	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-36.8	175.9	-156.5	27.1	0	0	0	110.7	T678 L682 Q683 E684	T678-D680 PolarHBondContact O-N 3.06Å; T678-D680 PolarHBondContact OG1-N 3.35Å; D680-L682 PolarHBondContact O-N 2.76Å; D680-L682 VanDerWaalsContact O-N 3.1Å; D680-Q683 PolarHBondContact O-N 2.7Å; D680-E684 PolarHBondContact O-N 3.2Å; D680-E684 VanDerWaalsContact O-N 3.08Å
681	D	79	Confident	81.2	Confident	59 Å²	59	78.4 Å²	78.4	32%	0.316	42%	0.422	S	S	.	.	H	α-helix	trans	-59.1	-24.1	173.5	-52.7	-28.5	0	0	0	112.8	M677 T678 P679	M677-D681 WeakPolarHBondContact CB-OD2 3.33Å; M677-D681 PolarHBondContact N-OD2 3.15Å; T678-D681 PolarHBondContact N-OD2 3.1Å; T678-D681 WeakPolarHBondContact O-CB 3.28Å; T678-D681 PolarHBondContact O-N 3.25Å; T678-D681 PolarHBondContact OG1-OD1 3.11Å; T678-D681 PolarHBondContact OG1-OD2 2.79Å; P679-D681 VanDerWaalsContact C-N 3.28Å; P679-D681 PolarHBondContact O-N 3.09Å
682	L	78.6	Confident	81	Confident	17 Å²	17	77.6 Å²	77.6	9%	0.089	43%	0.425	C	S	.	.	H	α-helix	trans	-80.9	-26.3	177.2	-57.9	171.8	0	0	0	112.1	V628 L633 A676 P679 D680 Y693 C696	V628-L682 HydrophobicContact CG1-CD1 4.13Å; V628-L682 HydrophobicContact CG1-CD2 4Å; V628-L682 HydrophobicContact CG2-CD1 3.72Å; V628-L682 HydrophobicContact CG2-CD2 4.33Å; L633-L682 HydrophobicContact CD1-CD1 4.34Å; A676-L682 HydrophobicContact CB-CD2 3.66Å; A676-L682 HydrophobicContact CB-CG 4.04Å; P679-L682 VanDerWaalsContact O-CB 3.31Å; P679-L682 WeakPolarHBondContact O-CB 3.2Å; P679-L682 PolarHBondContact O-N 3.04Å; P679-L682 VanDerWaalsContact O-N 3.12Å; D680-L682 PolarHBondContact O-N 2.76Å; D680-L682 VanDerWaalsContact O-N 3.1Å; L682-Y693 HydrophobicContact CD2-CD2 3.64Å; L682-Y693 HydrophobicContact CD2-CG 3.76Å; L682-C696 HydrophobicContact CD1-CB 4.46Å
683	Q	70.3	Confident	80.9	Confident	80 Å²	80	76.2 Å²	76.2	37%	0.374	41%	0.413	S	S	.	.	H	α-helix	trans	-97.4	-20.2	-174	-66	-174.7	-3.8	0	0	113.2	D680 K685	D680-Q683 PolarHBondContact O-N 2.7Å; Q683-K685 PolarHBondContact O-N 2.7Å
684	E	65.4	Low	80.9	Confident	136 Å²	136	76.8 Å²	76.8	64%	0.636	42%	0.418	S	S	*	.			trans	-62.8	95.9	176.4	-84.6	-160.3	148.6	0	0	112.1	D680 G686	D680-E684 PolarHBondContact O-N 3.2Å; D680-E684 VanDerWaalsContact O-N 3.08Å; E684-G686 PolarHBondContact O-N 2.89Å
685	K	55.3	Low	80.9	Confident	214 Å²	214	74 Å²	74	93%	0.93	40%	0.404	S	S	*	.			trans	-71.2	18.1	175.6	-63.4	-176.6	-179.9	175.5	0	114.5	Q683	Q683-K685 PolarHBondContact O-N 2.7Å
686	G	63.8	Low	80.9	Confident	58 Å²	58	72.1 Å²	72.1	60%	0.598	39%	0.394	S	S	*	.	S	Bend	trans	-76.6	-159.2	179.7	0	0	0	0	0	113.7	E684 A688	E684-G686 PolarHBondContact O-N 2.89Å; G686-A688 PolarHBondContact O-N 3.32Å
687	V	66.5	Low	81	Confident	161 Å²	161	72.6 Å²	72.6	98%	0.976	40%	0.396	S	S	*	.	S	Bend	trans	-73.2	66.6	169.2	-170.3	0	0	0	0	108.7
688	A	66.6	Low	81.2	Confident	59 Å²	59	68.9 Å²	68.9	49%	0.488	38%	0.378	S	S	.	.			trans	-67.9	138.7	-177.3	0	0	0	0	0	110.6	G686 C690	G686-A688 PolarHBondContact O-N 3.32Å; A688-C690 PolarHBondContact O-N 3.31Å
689	Y	78.5	Confident	81.5	Confident	217 Å²	217	67.4 Å²	67.4	85%	0.851	37%	0.368	S	S	*	.	S	Bend	trans	-63.4	-31.2	176.9	170.9	-100.9	0	0	0	112.4	M674	M674-Y689 HydrophobicContact CE-CE1 4.27Å
690	C	82.6	Confident	81.9	Confident	21 Å²	21	67.4 Å²	67.4	14%	0.142	37%	0.368	C	S	.	.			trans	-145.8	145	-178	-172.2	0	0	0	0	110.7	M674 A688 T692 Y693	M674-C690 HydrophobicContact CE-CB 3.92Å; A688-C690 PolarHBondContact O-N 3.31Å; C690-T692 PolarHBondContact SG-N 3.2Å; C690-T692 PolarHBondContact SG-OG1 3.35Å; C690-T692 VanDerWaalsContact SG-OG1 3.38Å; C690-Y693 HydrophobicContact CB-CE1 4.41Å; C690-Y693 HydrophobicContact CB-CE2 4.09Å; C690-Y693 WeakPolarHBondContact O-CE2 3.41Å
691	S	84.1	Confident	82.5	Confident	87 Å²	87	63.5 Å²	63.5	61%	0.608	35%	0.347	S	S	*	.	S	Bend	trans	-126.2	16	176	58.2	0	0	0	0	112.6	Q631	Q631-S691 VanDerWaalsContact CD-C 3.4Å; Q631-S691 WeakPolarHBondContact CG-O 3.45Å; Q631-S691 PolarHBondContact NE2-O 3.16Å
692	T	89.7	Confident	83.4	Confident	103 Å²	103	61.2 Å²	61.2	63%	0.632	33%	0.334	S	S	*	.			trans	-129	39.2	-174.8	58.5	0	0	0	0	111.5	C690	C690-T692 PolarHBondContact SG-N 3.2Å; C690-T692 PolarHBondContact SG-OG1 3.35Å; C690-T692 VanDerWaalsContact SG-OG1 3.38Å
693	Y	93.2	Very high	84.2	Confident	34 Å²	34	61 Å²	61	13%	0.133	33%	0.333	C	S	.	.			trans	-59.3	140.7	168.9	-64.6	-73.7	0	0	0	111.9	M674 L675 A676 L682 C690	M674-Y693 HydrophobicContact CE-CD1 4.4Å; M674-Y693 HydrophobicContact CE-CE1 3.81Å; M674-Y693 HydrophobicContact CG-CD1 3.78Å; M674-Y693 HydrophobicContact CG-CE1 4.14Å; L675-Y693 WeakPolarHBondContact O-CE1 3.2Å; A676-Y693 HydrophobicContact CB-CD1 3.72Å; A676-Y693 HydrophobicContact CB-CD2 4.5Å; A676-Y693 HydrophobicContact CB-CE1 3.99Å; A676-Y693 HydrophobicContact CB-CG 3.99Å; L682-Y693 HydrophobicContact CD2-CD2 3.64Å; L682-Y693 HydrophobicContact CD2-CG 3.76Å; C690-Y693 HydrophobicContact CB-CE1 4.41Å; C690-Y693 HydrophobicContact CB-CE2 4.09Å; C690-Y693 WeakPolarHBondContact O-CE2 3.41Å
694	S	93.5	Very high	85.5	Confident	32 Å²	32	58 Å²	58	22%	0.224	32%	0.32	C	S	.	.			trans	-111.3	-31.8	180	62.9	0	0	0	0	112.7	V628 M674	V628-S694 PolarHBondContact N-O 2.77Å; M674-S694 PolarHBondContact N-OG 3.37Å; M674-S694 VanDerWaalsContact N-OG 3.08Å; M674-S694 PolarHBondContact O-N 2.95Å; M674-S694 PolarHBondContact O-OG 3.42Å
695	H	95.6	Very high	87	Confident	9 Å²	9	51.5 Å²	51.5	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	162.8	-177.8	-66.1	83.9	0	0	0	110.5	L625 L626 E663 M674 L675 A676	L625-H695 HydrophobicContact CB-CB 4.27Å; L625-H695 HydrophobicContact CD1-CB 4.33Å; L626-H695 CarbonylContact O-C 3.56Å; L626-H695 WeakPolarHBondContact O-CA 3.32Å; L626-H695 WeakPolarHBondContact O-CB 3.47Å; E663-H695 IonicContact OE2-NE2 3.92Å; M674-H695 PolarHBondContact O-N 3.28Å; L675-H695 CarbonylContact C-O 3.57Å; L675-H695 WeakPolarHBondContact CA-O 3.37Å; L675-H695 HydrophobicContact CG-CB 4.42Å; A676-H695 PolarHBondContact N-O 2.97Å
696	C	94.4	Very high	88.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.2	174.1	-171.4	0	0	0	0	110.4	L626 V628 L633 A676 L682	L626-C696 HydrophobicContact CB-CB 4.37Å; L626-C696 PolarHBondContact N-O 3.04Å; L626-C696 PolarHBondContact O-N 2.98Å; V628-C696 HydrophobicContact CG2-CB 3.86Å; L633-C696 HydrophobicContact CD1-CB 4Å; A676-C696 HydrophobicContact CB-CB 4.36Å; A676-C696 WeakPolarHBondContact O-CA 3.29Å; L682-C696 HydrophobicContact CD1-CB 4.46Å
697	E	95.3	Very high	90.5	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.047	22%	0.217	C	C	.	.			trans	-63.8	138.3	170.5	-68.3	-74.1	-175.1	0	0	110.7	W506 R623 L625 A676 M677	W506-E697 PolarHBondContact NE1-OE1 2.8Å; R623-E697 IonicContact CZ-OE1 3.2Å; R623-E697 IonicContact CZ-OE2 2.84Å; R623-E697 IonicContact NH1-OE1 2.73Å; R623-E697 PolarHBondContact NH1-OE1 3.13Å; R623-E697 IonicContact NH1-OE2 2.82Å; R623-E697 PolarHBondContact NH1-OE2 2.77Å; R623-E697 IonicContact NH2-OE1 3.81Å; R623-E697 PolarHBondContact NH2-OE1 2.99Å; L625-E697 WeakPolarHBondContact CD2-OE2 3.47Å; A676-E697 PolarHBondContact O-N 3.34Å; M677-E697 HydrophobicContact SD-CG 4.38Å
698	I	94.6	Very high	92	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	17%	0.172	C	C	.	.	S	Bend	trans	-68.3	-51	174.4	-56.2	168.6	0	0	0	109.5	C26 V29 I30 M529 P624 L626 W653	C26-I698 HydrophobicContact CB-CG2 4.33Å; C26-I698 WeakPolarHBondContact CB-O 3.39Å; V29-I698 HydrophobicContact CG1-CG2 4.39Å; I30-I698 HydrophobicContact CD1-CG2 3.96Å; I30-I698 HydrophobicContact CG1-CG2 3.67Å; M529-I698 HydrophobicContact CE-CD1 3.75Å; M529-I698 HydrophobicContact SD-CD1 4.15Å; P624-I698 HydrophobicContact CB-CD1 4.46Å; P624-I698 HydrophobicContact CG-CD1 4.4Å; L626-I698 HydrophobicContact CD1-CB 4.47Å; L626-I698 HydrophobicContact CD1-CG1 4.03Å; L626-I698 HydrophobicContact CG-CG1 3.91Å; W653-I698 HydrophobicContact CH2-CD1 4.29Å
699	H	95.1	Very high	93.4	Very high	19 Å²	19	28.4 Å²	28.4	9%	0.088	15%	0.149	C	C	.	.			trans	-158.6	133.2	170.8	-168.5	-87	0	0	0	110.9	W27 I30 S701 M702	W27-H699 AromaticContact CZ2-CE1 3.68Å; W27-H699 AromaticContact CZ2-CG 3.93Å; W27-H699 AromaticContact CZ2-ND1 3.7Å; W27-H699 AromaticContact CZ2-NE2 3.84Å; I30-H699 HydrophobicContact CD1-CB 3.77Å; H699-S701 PolarHBondContact CE1-OG 3.12Å; H699-S701 VanDerWaalsContact ND1-CB 3.3Å; H699-S701 WeakPolarHBondContact ND1-CB 3.39Å; H699-S701 PolarHBondContact ND1-N 3.39Å; H699-S701 VanDerWaalsContact ND1-N 3.12Å; H699-S701 PolarHBondContact ND1-OG 3.31Å; H699-S701 PolarHBondContact O-N 2.98Å; H699-S701 VanDerWaalsContact O-N 3.1Å; H699-M702 WeakPolarHBondContact O-CB 3.42Å; H699-M702 PolarHBondContact O-N 3.04Å; H699-M702 VanDerWaalsContact O-N 3.15Å
700	P	95.3	Very high	94.3	Very high	15 Å²	15	18.2 Å²	18.2	10%	0.097	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-59.4	-26.4	-176.4	-27.4	35.6	0	0	0	115.1	M677 M702 I703 F1002	M677-P700 HydrophobicContact CE-CB 4.25Å; M677-P700 HydrophobicContact CE-CG 4.18Å; P700-M702 PolarHBondContact O-N 3Å; P700-M702 VanDerWaalsContact O-N 3.11Å; P700-I703 WeakPolarHBondContact O-CG1 3.43Å; P700-I703 WeakPolarHBondContact O-CG2 3.4Å; P700-I703 PolarHBondContact O-N 3.11Å; P700-F1002 HydrophobicContact CB-CB 4.4Å; P700-F1002 HydrophobicContact CB-CD2 3.74Å; P700-F1002 HydrophobicContact CB-CE2 4.29Å; P700-F1002 HydrophobicContact CB-CG 4.22Å
701	S	95.8	Very high	95	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-64.3	-15.9	179.4	70.9	0	0	0	0	114.2	W27 H699 I703 L704	W27-S701 WeakPolarHBondContact CH2-OG 3.24Å; H699-S701 PolarHBondContact CE1-OG 3.12Å; H699-S701 VanDerWaalsContact ND1-CB 3.3Å; H699-S701 WeakPolarHBondContact ND1-CB 3.39Å; H699-S701 PolarHBondContact ND1-N 3.39Å; H699-S701 VanDerWaalsContact ND1-N 3.12Å; H699-S701 PolarHBondContact ND1-OG 3.31Å; H699-S701 PolarHBondContact O-N 2.98Å; H699-S701 VanDerWaalsContact O-N 3.1Å; S701-I703 PolarHBondContact O-N 3.43Å; S701-L704 WeakPolarHBondContact O-CB 3.26Å; S701-L704 PolarHBondContact O-N 3.49Å
702	M	96.6	Very high	95.6	Very high	12 Å²	12	13.1 Å²	13.1	6%	0.059	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-71.8	-11.5	-178.3	-64.8	-62.9	111.1	0	0	113.4	W27 I30 F34 L528 M529 H699 P700 L704 S763	W27-M702 HydrophobicContact CH2-CE 3.69Å; W27-M702 HydrophobicContact CZ3-CE 3.64Å; I30-M702 HydrophobicContact CD1-CE 4.25Å; I30-M702 HydrophobicContact CD1-CG 4.15Å; I30-M702 HydrophobicContact CD1-SD 4.25Å; I30-M702 HydrophobicContact CG2-CE 4.45Å; I30-M702 HydrophobicContact CG2-SD 4.05Å; F34-M702 HydrophobicContact CE2-SD 4.2Å; F34-M702 HydrophobicContact CZ-SD 4.48Å; L528-M702 HydrophobicContact CB-SD 4.12Å; L528-M702 HydrophobicContact CD1-CE 3.95Å; L528-M702 HydrophobicContact CD1-SD 4.1Å; L528-M702 PolarHBondContact N-O 2.96Å; M529-M702 HydrophobicContact CB-CB 4.48Å; M529-M702 HydrophobicContact CG-CB 3.99Å; M529-M702 HydrophobicContact CG-CG 3.88Å; M529-M702 HydrophobicContact CG-SD 3.68Å; M529-M702 HydrophobicContact SD-CB 4.02Å; M529-M702 HydrophobicContact SD-CG 3.56Å; M529-M702 VanDerWaalsContact SD-CG 3.56Å; M529-M702 HydrophobicContact SD-SD 3.9Å; H699-M702 WeakPolarHBondContact O-CB 3.42Å; H699-M702 PolarHBondContact O-N 3.04Å; H699-M702 VanDerWaalsContact O-N 3.15Å; P700-M702 PolarHBondContact O-N 3Å; P700-M702 VanDerWaalsContact O-N 3.11Å; M702-L704 PolarHBondContact O-N 2.95Å; M702-S763 WeakPolarHBondContact CE-OG 3.49Å
703	I	96.9	Very high	95.9	Very high	12 Å²	12	8.7 Å²	8.7	6%	0.062	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-66.4	-19.8	171.1	73.5	-177.5	0	0	0	112.9	W506 P511 P700 S701 F1002	W506-I703 HydrophobicContact CD2-CG2 4.19Å; W506-I703 HydrophobicContact CE3-CD1 4.32Å; W506-I703 HydrophobicContact CH2-CD1 3.61Å; W506-I703 HydrophobicContact CH2-CG2 4.28Å; W506-I703 HydrophobicContact CZ2-CD1 4.24Å; W506-I703 HydrophobicContact CZ2-CG2 3.85Å; W506-I703 HydrophobicContact CZ3-CD1 3.66Å; P511-I703 WeakPolarHBondContact CD-O 3.25Å; P700-I703 WeakPolarHBondContact O-CG1 3.43Å; P700-I703 WeakPolarHBondContact O-CG2 3.4Å; P700-I703 PolarHBondContact O-N 3.11Å; S701-I703 PolarHBondContact O-N 3.43Å; I703-F1002 HydrophobicContact CD1-CE2 4.45Å
704	L	97.7	Very high	96.1	Very high	17 Å²	17	7.6 Å²	7.6	9%	0.089	4%	0.043	C	C	.	.	S	Bend	trans	-76.1	154.4	-179.3	-60.7	-177.8	0	0	0	111.1	P511 A527 L528 S701 M702 A708 P714 P1001	P511-L704 HydrophobicContact CG-CD2 4.48Å; A527-L704 CarbonylContact C-O 3.56Å; A527-L704 WeakPolarHBondContact CA-O 3.08Å; L528-L704 WeakPolarHBondContact CG-O 3.18Å; L528-L704 PolarHBondContact N-O 2.78Å; S701-L704 WeakPolarHBondContact O-CB 3.26Å; S701-L704 PolarHBondContact O-N 3.49Å; M702-L704 PolarHBondContact O-N 2.95Å; L704-A708 HydrophobicContact CB-CB 4.07Å; L704-A708 HydrophobicContact CD2-CB 4.17Å; L704-P714 HydrophobicContact CD1-CG 4Å; L704-P1001 HydrophobicContact CD1-CG 4.04Å
705	G	95.9	Very high	96.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-87.2	-177.2	171.2	0	0	0	0	0	112.3	C510 C707 A708 S709	C510-G705 PolarHBondContact SG-N 2.63Å; G705-C707 PolarHBondContact O-N 3.33Å; G705-A708 PolarHBondContact O-N 2.82Å; G705-S709 WeakPolarHBondContact O-CB 3.43Å; G705-S709 PolarHBondContact O-N 3.26Å; G705-S709 PolarHBondContact O-OG 2.7Å
706	V	96.1	Very high	96.2	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.018	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-49.5	-178.9	175	0	0	0	0	111.8	L479 E513 L528 L767	L479-V706 HydrophobicContact CB-CG1 3.96Å; L479-V706 HydrophobicContact CB-CG2 4.49Å; L479-V706 HydrophobicContact CD1-CG1 4.45Å; E513-V706 PolarHBondContact OE2-N 3.41Å; L528-V706 HydrophobicContact CD2-CG2 4.45Å; V706-L767 HydrophobicContact CB-CD2 4.4Å; V706-L767 HydrophobicContact CG1-CD1 4.19Å; V706-L767 HydrophobicContact CG1-CD2 3.88Å; V706-L767 HydrophobicContact CG2-CD2 4.2Å; V706-L767 WeakPolarHBondContact O-CD1 3.39Å
707	C	96.6	Very high	96.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-19.6	-176.9	-63	0	0	0	0	113.3	E513 G705 I710 K730	E513-C707 HydrophobicContact CG-CB 4.07Å; E513-C707 PolarHBondContact OE2-N 3.13Å; G705-C707 PolarHBondContact O-N 3.33Å; C707-I710 WeakPolarHBondContact O-CG1 3.29Å; C707-K730 VanDerWaalsContact SG-CE 3.53Å
708	A	97.1	Very high	96.3	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.017	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-30.4	173.1	0	0	0	0	0	111.4	L704 G705 I710 I711	L704-A708 HydrophobicContact CB-CB 4.07Å; L704-A708 HydrophobicContact CD2-CB 4.17Å; G705-A708 PolarHBondContact O-N 2.82Å; A708-I710 PolarHBondContact O-N 2.9Å; A708-I711 WeakPolarHBondContact O-CB 3.39Å; A708-I711 WeakPolarHBondContact O-CG1 3.11Å; A708-I711 PolarHBondContact O-N 3.26Å
709	S	96.9	Very high	96.4	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.6	-179.7	-61.5	0	0	0	0	114.1	L528 G705 I711 T761	L528-S709 VanDerWaalsContact CD1-OG 3.24Å; L528-S709 WeakPolarHBondContact CD1-OG 3.41Å; G705-S709 WeakPolarHBondContact O-CB 3.43Å; G705-S709 PolarHBondContact O-N 3.26Å; G705-S709 PolarHBondContact O-OG 2.7Å; S709-I711 VanDerWaalsContact C-N 3.29Å; S709-T761 PolarHBondContact O-OG1 3.49Å
710	I	96.5	Very high	96.4	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.015	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.7	176	60.9	161.6	0	0	0	113.6	C707 A708 M764 L767 F769 R938	C707-I710 WeakPolarHBondContact O-CG1 3.29Å; A708-I710 PolarHBondContact O-N 2.9Å; I710-M764 VanDerWaalsContact C-CE 3.48Å; I710-M764 HydrophobicContact CB-CE 3.72Å; I710-M764 HydrophobicContact CG2-CE 4.17Å; I710-M764 WeakPolarHBondContact O-CE 3.49Å; I710-L767 HydrophobicContact CG2-CD1 4.14Å; I710-F769 HydrophobicContact CG2-CD2 4.23Å; I710-F769 HydrophobicContact CG2-CE2 4.46Å; I710-F769 HydrophobicContact CG2-CG 4.4Å; I710-R938 WeakPolarHBondContact O-CD 3.4Å; I710-R938 PolarHBondContact O-NH1 3.23Å
711	I	97.7	Very high	96.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.128	C	C	.	.	S	Bend	trans	-82.7	123.3	-179.1	-52.5	-178.1	0	0	0	107.8	A708 S709 P714 N722 Q725 T761 R938	A708-I711 WeakPolarHBondContact O-CB 3.39Å; A708-I711 WeakPolarHBondContact O-CG1 3.11Å; A708-I711 PolarHBondContact O-N 3.26Å; S709-I711 VanDerWaalsContact C-N 3.29Å; I711-P714 HydrophobicContact CB-CB 4.23Å; I711-P714 HydrophobicContact CG2-CB 3.99Å; I711-P714 WeakPolarHBondContact O-CD 3.39Å; I711-N722 HydrophobicContact CD1-CB 4.06Å; I711-Q725 HydrophobicContact CD1-CB 3.68Å; I711-Q725 HydrophobicContact CD1-CG 3.75Å; I711-Q725 HydrophobicContact CG1-CB 4.21Å; I711-Q725 HydrophobicContact CG1-CG 3.71Å; I711-T761 WeakPolarHBondContact O-CG2 3.41Å; I711-R938 WeakPolarHBondContact CG2-O 3.47Å
712	P	96.8	Very high	96.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-75.5	142.1	172	33.4	-33.1	0	0	0	109.4	V759 H939 E983 A999	P712-V759 HydrophobicContact CB-CG1 4.13Å; P712-H939 PolarHBondContact O-CE1 2.82Å; P712-E983 HydrophobicContact CG-CB 4.32Å; P712-E983 HydrophobicContact CG-CG 4.06Å; P712-E983 WeakPolarHBondContact CG-OE2 3.33Å; P712-A999 HydrophobicContact CB-CB 3.54Å
713	F	96.3	Very high	96.6	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.039	14%	0.137	C	C	.	.	S	Bend	trans	44.7	53.9	178.7	-51	-69.6	0	0	0	114.1	D715 H716 N717 V759 I982 Q986 A999 V1006	F713-D715 WeakPolarHBondContact CA-OD1 3.41Å; F713-D715 PolarHBondContact O-N 2.96Å; F713-H716 HydrophobicContact CB-CB 4.25Å; F713-H716 PolarHBondContact O-N 2.88Å; F713-H716 VanDerWaalsContact O-N 3.17Å; F713-N717 PolarHBondContact O-ND2 2.61Å; F713-V759 HydrophobicContact CE2-CG1 4.11Å; F713-I982 HydrophobicContact CD2-CB 4.16Å; F713-I982 HydrophobicContact CD2-CG2 3.72Å; F713-I982 HydrophobicContact CE1-CG2 4.45Å; F713-I982 HydrophobicContact CE2-CB 4.4Å; F713-I982 HydrophobicContact CE2-CG2 3.55Å; F713-I982 HydrophobicContact CG-CG2 4.25Å; F713-I982 HydrophobicContact CZ-CG2 3.95Å; F713-Q986 HydrophobicContact CE2-CB 4.48Å; F713-A999 HydrophobicContact CD1-CB 4.24Å; F713-A999 HydrophobicContact CD2-CB 3.74Å; F713-A999 HydrophobicContact CE1-CB 3.9Å; F713-A999 HydrophobicContact CE2-CB 3.35Å; F713-A999 HydrophobicContact CG-CB 4.17Å; F713-A999 HydrophobicContact CZ-CB 3.44Å; F713-A999 VanDerWaalsContact CZ-CB 3.44Å; F713-A999 PolarHBondContact N-O 3.34Å; F713-A999 VanDerWaalsContact N-O 3.12Å; F713-V1006 HydrophobicContact CE1-CG1 4.45Å; F713-V1006 HydrophobicContact CZ-CG1 4.38Å
714	P	96.6	Very high	96.6	Very high	11 Å²	11	28.8 Å²	28.8	7%	0.071	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-65.5	-25.8	-177.7	27.2	-34.6	0	0	0	113	L704 I711 H716 N717 N722 P1001	L704-P714 HydrophobicContact CD1-CG 4Å; I711-P714 HydrophobicContact CB-CB 4.23Å; I711-P714 HydrophobicContact CG2-CB 3.99Å; I711-P714 WeakPolarHBondContact O-CD 3.39Å; P714-H716 VanDerWaalsContact C-N 3.27Å; P714-H716 PolarHBondContact O-N 3.19Å; P714-N717 PolarHBondContact O-N 3.3Å; P714-N722 PolarHBondContact O-ND2 3.28Å; P714-P1001 HydrophobicContact CG-CB 3.78Å; P714-P1001 HydrophobicContact CG-CG 4.01Å
715	D	95.7	Very high	96.5	Very high	66 Å²	66	28 Å²	28	35%	0.353	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-64.3	-25.2	173.2	53.9	-11.5	0	0	0	113.6	F713 N717 F1002	F713-D715 WeakPolarHBondContact CA-OD1 3.41Å; F713-D715 PolarHBondContact O-N 2.96Å; D715-N717 VanDerWaalsContact C-N 3.35Å; D715-F1002 HydrophobicContact CB-CD1 4.49Å; D715-F1002 HydrophobicContact CB-CE1 4.12Å; D715-F1002 PolarHBondContact OD2-N 3.17Å; D715-F1002 VanDerWaalsContact OD2-N 3.17Å
716	H	95.9	Very high	96.5	Very high	84 Å²	84	28 Å²	28	39%	0.389	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-90	5.4	177.5	-67.9	76.2	0	0	0	113.9	F713 P714 G979 I982	F713-H716 HydrophobicContact CB-CB 4.25Å; F713-H716 PolarHBondContact O-N 2.88Å; F713-H716 VanDerWaalsContact O-N 3.17Å; P714-H716 VanDerWaalsContact C-N 3.27Å; P714-H716 PolarHBondContact O-N 3.19Å; H716-G979 PolarHBondContact O-N 3.33Å; H716-I982 HydrophobicContact CB-CD1 4.11Å; H716-I982 VanDerWaalsContact CD2-CD1 3.45Å; H716-I982 WeakPolarHBondContact CD2-CD1 3.25Å
717	N	95.8	Very high	96.5	Very high	14 Å²	14	28.6 Å²	28.6	8%	0.075	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-110	151	178.4	-60.5	-48.8	0	0	0	111.2	F713 P714 D715 S719 N722 H939 G979	F713-N717 PolarHBondContact O-ND2 2.61Å; P714-N717 PolarHBondContact O-N 3.3Å; D715-N717 VanDerWaalsContact C-N 3.35Å; N717-S719 PolarHBondContact O-N 3.48Å; N717-N722 WeakPolarHBondContact CB-OD1 3.25Å; N717-N722 PolarHBondContact ND2-OD1 3.21Å; N717-H939 PolarHBondContact ND2-ND1 3.22Å; N717-H939 PolarHBondContact OD1-ND1 2.95Å; N717-G979 WeakPolarHBondContact OD1-CA 3.42Å; N717-G979 PolarHBondContact OD1-N 3.17Å
718	Q	97.3	Very high	96.4	Very high	89 Å²	89	28.9 Å²	28.9	42%	0.416	15%	0.152	S	C	.	.			trans	-61.8	127.7	165.1	-159	-166.6	25.5	0	0	110.3	P720 R721	Q718-P720 VanDerWaalsContact C-CD 3.43Å; Q718-P720 VanDerWaalsContact O-N 3.11Å; Q718-R721 HydrophobicContact CB-CG 4.41Å; Q718-R721 VanDerWaalsContact O-CB 3.27Å; Q718-R721 WeakPolarHBondContact O-CB 3.37Å; Q718-R721 PolarHBondContact O-N 2.83Å
719	S	95.5	Very high	96.3	Very high	77 Å²	77	28.9 Å²	28.9	54%	0.538	15%	0.153	S	C	.	.	H	α-helix	trans	-45.3	-45.2	-171.6	176.4	0	0	0	0	116.2	N717 R721 N722 T723	N717-S719 PolarHBondContact O-N 3.48Å; S719-R721 PolarHBondContact O-N 2.89Å; S719-R721 VanDerWaalsContact O-N 3.07Å; S719-N722 WeakPolarHBondContact O-CB 3.37Å; S719-N722 PolarHBondContact O-N 3.3Å; S719-T723 PolarHBondContact O-N 2.94Å
720	P	96.2	Very high	96.2	Very high	57 Å²	57	30.2 Å²	30.2	37%	0.37	16%	0.158	S	C	.	.	H	α-helix	trans	-58.7	-27	179.1	-25.1	35.9	0	0	0	114.2	Q718 N722 T723 Y724	Q718-P720 VanDerWaalsContact C-CD 3.43Å; Q718-P720 VanDerWaalsContact O-N 3.11Å; P720-N722 VanDerWaalsContact C-N 3.35Å; P720-T723 WeakPolarHBondContact O-CB 3.39Å; P720-T723 PolarHBondContact O-N 2.66Å; P720-Y724 HydrophobicContact CB-CE2 4.37Å; P720-Y724 VanDerWaalsContact O-CD2 3.23Å; P720-Y724 WeakPolarHBondContact O-CD2 3.37Å; P720-Y724 VanDerWaalsContact O-CG 3.3Å; P720-Y724 PolarHBondContact O-N 2.76Å
721	R	96.4	Very high	96.1	Very high	43 Å²	43	32.7 Å²	32.7	16%	0.162	17%	0.17	C	C	.	.	H	α-helix	trans	-68.4	-36.2	177.3	-60.4	-70	165	-158.2	-5.7	111.8	Q718 S719 T723 Y724 Q725 T977	Q718-R721 HydrophobicContact CB-CG 4.41Å; Q718-R721 VanDerWaalsContact O-CB 3.27Å; Q718-R721 WeakPolarHBondContact O-CB 3.37Å; Q718-R721 PolarHBondContact O-N 2.83Å; S719-R721 PolarHBondContact O-N 2.89Å; S719-R721 VanDerWaalsContact O-N 3.07Å; R721-T723 VanDerWaalsContact C-N 3.31Å; R721-T723 PolarHBondContact O-N 3.27Å; R721-Y724 PolarHBondContact O-N 3Å; R721-Q725 PolarHBondContact O-N 2.75Å; R721-T977 HydrophobicContact CB-CG2 4.07Å; R721-T977 HydrophobicContact CG-CG2 3.66Å
722	N	97.1	Very high	96	Very high	16 Å²	16	32.6 Å²	32.6	9%	0.086	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-36.6	174.4	-62.4	-25.8	0	0	0	111	A512 I711 P714 N717 S719 P720 Q725 S726	A512-N722 HydrophobicContact CB-CB 3.98Å; I711-N722 HydrophobicContact CD1-CB 4.06Å; P714-N722 PolarHBondContact O-ND2 3.28Å; N717-N722 WeakPolarHBondContact CB-OD1 3.25Å; N717-N722 PolarHBondContact ND2-OD1 3.21Å; S719-N722 WeakPolarHBondContact O-CB 3.37Å; S719-N722 PolarHBondContact O-N 3.3Å; P720-N722 VanDerWaalsContact C-N 3.35Å; N722-Q725 PolarHBondContact O-N 3.01Å; N722-S726 WeakPolarHBondContact O-CB 3.42Å; N722-S726 PolarHBondContact O-N 2.89Å; N722-S726 PolarHBondContact O-OG 3.19Å
723	T	96.9	Very high	95.9	Very high	27 Å²	27	32.6 Å²	32.6	17%	0.166	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-43.8	173.6	-58	0	0	0	0	112.2	A512 T514 S719 P720 R721 Q725 S726 A727	A512-T723 VanDerWaalsContact O-CA 3.23Å; A512-T723 WeakPolarHBondContact O-CA 3.31Å; A512-T723 WeakPolarHBondContact O-CB 3.35Å; A512-T723 WeakPolarHBondContact O-CG2 3.38Å; A512-T723 PolarHBondContact O-OG1 2.91Å; T514-T723 HydrophobicContact CG2-CG2 4.02Å; S719-T723 PolarHBondContact O-N 2.94Å; P720-T723 WeakPolarHBondContact O-CB 3.39Å; P720-T723 PolarHBondContact O-N 2.66Å; R721-T723 VanDerWaalsContact C-N 3.31Å; R721-T723 PolarHBondContact O-N 3.27Å; T723-Q725 PolarHBondContact O-N 3.13Å; T723-S726 WeakPolarHBondContact O-CB 3.37Å; T723-S726 PolarHBondContact O-N 3.09Å; T723-A727 PolarHBondContact O-N 3.33Å; T723-A727 VanDerWaalsContact O-N 3.14Å
724	Y	96.8	Very high	95.8	Very high	84 Å²	84	32.2 Å²	32.2	33%	0.329	17%	0.168	S	C	.	.	H	α-helix	trans	-60.9	-44.6	174.7	-65.7	-32.7	0	0	0	112	E516 P720 R721 S726 A727 M728	E516-Y724 HydrophobicContact CG-CD1 4.09Å; E516-Y724 HydrophobicContact CG-CE1 4.39Å; P720-Y724 HydrophobicContact CB-CE2 4.37Å; P720-Y724 VanDerWaalsContact O-CD2 3.23Å; P720-Y724 WeakPolarHBondContact O-CD2 3.37Å; P720-Y724 VanDerWaalsContact O-CG 3.3Å; P720-Y724 PolarHBondContact O-N 2.76Å; R721-Y724 PolarHBondContact O-N 3Å; Y724-S726 VanDerWaalsContact C-N 3.31Å; Y724-S726 PolarHBondContact O-N 3.45Å; Y724-A727 PolarHBondContact O-N 3.18Å; Y724-M728 WeakPolarHBondContact O-CB 3.46Å; Y724-M728 VanDerWaalsContact O-CG 3.24Å; Y724-M728 WeakPolarHBondContact O-CG 3.43Å; Y724-M728 PolarHBondContact O-N 3.5Å
725	Q	97.5	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-41.9	176.5	179.8	58.2	22.7	0	0	112.1	I711 R721 N722 T723 A727 M728 G729 S937 R938	I711-Q725 HydrophobicContact CD1-CB 3.68Å; I711-Q725 HydrophobicContact CD1-CG 3.75Å; I711-Q725 HydrophobicContact CG1-CB 4.21Å; I711-Q725 HydrophobicContact CG1-CG 3.71Å; R721-Q725 PolarHBondContact O-N 2.75Å; N722-Q725 PolarHBondContact O-N 3.01Å; T723-Q725 PolarHBondContact O-N 3.13Å; Q725-A727 PolarHBondContact O-N 3.48Å; Q725-M728 PolarHBondContact O-N 3.35Å; Q725-M728 VanDerWaalsContact O-N 3.08Å; Q725-G729 PolarHBondContact O-N 3.32Å; Q725-S937 PolarHBondContact OE1-O 3Å; Q725-R938 WeakPolarHBondContact CG-O 3.22Å
726	S	95.8	Very high	95.9	Very high	1 Å²	1	30 Å²	30	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-55	-37.1	176.5	-76.9	0	0	0	0	112.4	N722 T723 Y724 K730	N722-S726 WeakPolarHBondContact O-CB 3.42Å; N722-S726 PolarHBondContact O-N 2.89Å; N722-S726 PolarHBondContact O-OG 3.19Å; T723-S726 WeakPolarHBondContact O-CB 3.37Å; T723-S726 PolarHBondContact O-N 3.09Å; Y724-S726 VanDerWaalsContact C-N 3.31Å; Y724-S726 PolarHBondContact O-N 3.45Å; S726-K730 VanDerWaalsContact O-CE 3.27Å; S726-K730 WeakPolarHBondContact O-CE 3.41Å
727	A	94.9	Very high	96	Very high	15 Å²	15	26.1 Å²	26.1	12%	0.124	14%	0.138	C	C	.	.	H	α-helix	trans	-76.5	-40.8	173.9	0	0	0	0	0	112.9	E516 T723 Y724 Q725 K730	E516-A727 HydrophobicContact CG-CB 4.1Å; E516-A727 WeakPolarHBondContact OE1-CB 3.48Å; T723-A727 PolarHBondContact O-N 3.33Å; T723-A727 VanDerWaalsContact O-N 3.14Å; Y724-A727 PolarHBondContact O-N 3.18Å; Q725-A727 PolarHBondContact O-N 3.48Å; A727-K730 PolarHBondContact O-N 2.95Å
728	M	95.6	Very high	96	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-70.4	-35.5	-178.4	-68.7	174	-160.6	0	0	113.3	Y724 Q725 K730 Q731 A732 A936 K942	Y724-M728 WeakPolarHBondContact O-CB 3.46Å; Y724-M728 VanDerWaalsContact O-CG 3.24Å; Y724-M728 WeakPolarHBondContact O-CG 3.43Å; Y724-M728 PolarHBondContact O-N 3.5Å; Q725-M728 PolarHBondContact O-N 3.35Å; Q725-M728 VanDerWaalsContact O-N 3.08Å; M728-K730 PolarHBondContact O-N 2.98Å; M728-Q731 CarbonylContact O-C 3.1Å; M728-Q731 WeakPolarHBondContact O-CA 3.38Å; M728-Q731 WeakPolarHBondContact O-CB 3.49Å; M728-Q731 PolarHBondContact O-N 2.93Å; M728-A732 PolarHBondContact O-N 2.94Å; M728-A936 HydrophobicContact SD-CB 4.1Å; M728-K942 HydrophobicContact CE-CB 3.95Å; M728-K942 HydrophobicContact CE-CD 3.74Å; M728-K942 HydrophobicContact CE-CG 3.82Å; M728-K942 HydrophobicContact SD-CB 3.91Å; M728-K942 HydrophobicContact SD-CG 4.45Å
729	G	93.8	Very high	96	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-29.3	176.6	0	0	0	0	0	112.8	Q725 Q731	Q725-G729 PolarHBondContact O-N 3.32Å; G729-Q731 PolarHBondContact O-N 2.86Å
730	K	94.8	Very high	96	Very high	29 Å²	29	23 Å²	23	13%	0.126	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-11.6	173.7	-55.8	178.2	-164.1	-167.1	0	113.4	L473 S477 S480 E513 N525 C707 S726 A727 M728	L473-K730 VanDerWaalsContact CD2-O 3.29Å; L473-K730 WeakPolarHBondContact CD2-O 3.35Å; S477-K730 PolarHBondContact OG-O 2.93Å; S480-K730 WeakPolarHBondContact OG-CE 2.93Å; S480-K730 PolarHBondContact OG-NZ 2.85Å; E513-K730 VanDerWaalsContact OE1-CE 3.29Å; E513-K730 WeakPolarHBondContact OE1-CE 3.37Å; E513-K730 IonicContact OE1-NZ 3.55Å; E513-K730 PolarHBondContact OE1-NZ 2.89Å; N525-K730 PolarHBondContact ND2-NZ 2.81Å; N525-K730 VanDerWaalsContact ND2-NZ 3.15Å; C707-K730 VanDerWaalsContact SG-CE 3.53Å; S726-K730 VanDerWaalsContact O-CE 3.27Å; S726-K730 WeakPolarHBondContact O-CE 3.41Å; A727-K730 PolarHBondContact O-N 2.95Å; M728-K730 PolarHBondContact O-N 2.98Å
731	Q	95.1	Very high	96	Very high	55 Å²	55	24.8 Å²	24.8	26%	0.257	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-11.4	-179.4	-56.3	177.9	11.4	0	0	113.2	L473 M728 G729 L1051 K1052 H1053	L473-Q731 VanDerWaalsContact CD2-CA 3.47Å; L473-Q731 WeakPolarHBondContact CD2-O 3.47Å; M728-Q731 CarbonylContact O-C 3.1Å; M728-Q731 WeakPolarHBondContact O-CA 3.38Å; M728-Q731 WeakPolarHBondContact O-CB 3.49Å; M728-Q731 PolarHBondContact O-N 2.93Å; G729-Q731 PolarHBondContact O-N 2.86Å; Q731-L1051 HydrophobicContact CB-CD2 4.45Å; Q731-L1051 WeakPolarHBondContact O-CA 3.47Å; Q731-K1052 PolarHBondContact O-N 2.75Å; Q731-H1053 PolarHBondContact OE1-CE1 3.5Å; Q731-H1053 PolarHBondContact OE1-ND1 2.83Å
732	A	95.4	Very high	96	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-59.2	159	174.2	0	0	0	0	0	110.6	L473 T474 M728 A774 Q1049 R1050	L473-A732 WeakPolarHBondContact CD2-O 3.43Å; T474-A732 WeakPolarHBondContact CG2-O 3.49Å; M728-A732 PolarHBondContact O-N 2.94Å; A732-A774 HydrophobicContact CB-CB 4.07Å; A732-Q1049 HydrophobicContact CB-CB 4.02Å; A732-Q1049 HydrophobicContact CB-CG 4.27Å; A732-R1050 CarbonylContact C-O 3.48Å; A732-R1050 WeakPolarHBondContact CA-O 3.24Å
733	M	94.6	Very high	95.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.			trans	-110.1	144.7	176.4	-67.8	171.1	40.2	0	0	109.7	H749 L751 A774 S808 R1050 K1052	M733-H749 HydrophobicContact CB-CB 4.4Å; M733-H749 HydrophobicContact CE-CB 3.74Å; M733-H749 HydrophobicContact CG-CB 3.82Å; M733-H749 HydrophobicContact SD-CB 4.04Å; M733-L751 HydrophobicContact CB-CG 4.37Å; M733-L751 WeakPolarHBondContact O-CD1 3.38Å; M733-A774 CarbonylContact O-C 3.54Å; M733-A774 VanDerWaalsContact O-CA 3.28Å; M733-A774 WeakPolarHBondContact O-CA 3.44Å; M733-A774 VanDerWaalsContact O-O 3.12Å; M733-S808 WeakPolarHBondContact CE-OG 3.45Å; M733-R1050 PolarHBondContact N-O 2.89Å; M733-R1050 HydrophobicContact SD-CG 4.41Å; M733-K1052 HydrophobicContact CG-CB 4.44Å; M733-K1052 HydrophobicContact SD-CB 4.49Å
734	G	94.8	Very high	95.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	-173	-171.2	-178.3	0	0	0	0	0	110.6	Y736 H749 P773	G734-Y736 PolarHBondContact O-N 3.11Å; G734-H749 VanDerWaalsContact O-O 3.14Å; G734-P773 WeakPolarHBondContact CA-O 3.37Å
735	V	97.4	Very high	95.6	Very high	26 Å²	26	21.1 Å²	21.1	16%	0.158	11%	0.111	C	C	.	.			trans	-78.2	115.6	166.7	-177.4	0	0	0	0	106.7	I737 F740 V750 P754 L772	V735-I737 WeakPolarHBondContact CG1-O 3.32Å; V735-F740 HydrophobicContact CG1-CD1 4.36Å; V735-F740 HydrophobicContact CG1-CE1 4.36Å; V735-V750 HydrophobicContact CG2-CG1 3.89Å; V735-P754 HydrophobicContact CG2-CG 3.96Å; V735-L772 HydrophobicContact CB-CD2 4.01Å; V735-L772 HydrophobicContact CG1-CD2 3.66Å
736	Y	96.5	Very high	95.3	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.02	14%	0.14	C	C	.	.			trans	-87.9	-25	-174.8	65	-85.8	0	0	0	113.2	R472 G734 F740 D745 A748 V750	R472-Y736 HydrophobicContact CB-CD2 4.27Å; R472-Y736 HydrophobicContact CB-CE2 4.49Å; R472-Y736 WeakPolarHBondContact O-CB 3.01Å; R472-Y736 WeakPolarHBondContact O-CD2 3.39Å; G734-Y736 PolarHBondContact O-N 3.11Å; Y736-F740 HydrophobicContact CE1-CB 3.71Å; Y736-F740 HydrophobicContact CE1-CG 4.47Å; Y736-F740 HydrophobicContact CE2-CB 4.4Å; Y736-F740 WeakPolarHBondContact OH-CB 3.49Å; Y736-D745 PolarHBondContact OH-OD2 2.81Å; Y736-A748 HydrophobicContact CE1-CB 3.79Å; Y736-V750 HydrophobicContact CD1-CG2 4.15Å; Y736-V750 HydrophobicContact CE1-CG2 3.96Å
737	I	97	Very high	95.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.16	C	C	.	.			trans	-162.2	157	176.6	-158.9	163.4	0	0	0	108.2	C177 D180 V735 N739 F740	C177-I737 HydrophobicContact CB-CD1 3.72Å; C177-I737 HydrophobicContact CB-CG1 3.41Å; C177-I737 VanDerWaalsContact CB-CG1 3.41Å; C177-I737 WeakPolarHBondContact SG-CG1 3.46Å; D180-I737 HydrophobicContact CB-CD1 3.96Å; V735-I737 WeakPolarHBondContact CG1-O 3.32Å; I737-N739 WeakPolarHBondContact CD1-OD1 3.5Å; I737-N739 WeakPolarHBondContact CG1-OD1 3.48Å; I737-N739 WeakPolarHBondContact CG2-OD1 3.41Å; I737-F740 HydrophobicContact CG2-CB 4.11Å; I737-F740 VanDerWaalsContact O-CD1 3.31Å; I737-F740 WeakPolarHBondContact O-CD1 3.36Å
738	T	97.1	Very high	95.2	Very high	63 Å²	63	29.3 Å²	29.3	39%	0.387	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-39.8	-176	57.5	0	0	0	0	113.2	C177 F740 L772	C177-T738 WeakPolarHBondContact CB-OG1 3.24Å; C177-T738 PolarHBondContact SG-OG1 3.39Å; T738-F740 WeakPolarHBondContact O-CD1 3.31Å; T738-F740 PolarHBondContact O-N 3.33Å; T738-L772 HydrophobicContact CG2-CD2 4.27Å
739	N	96.8	Very high	95.3	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.043	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	24	-176.3	68.6	-18.2	0	0	0	114.2	N175 I737 H741 V742 R743	N175-N739 PolarHBondContact O-ND2 3.29Å; I737-N739 WeakPolarHBondContact CD1-OD1 3.5Å; I737-N739 WeakPolarHBondContact CG1-OD1 3.48Å; I737-N739 WeakPolarHBondContact CG2-OD1 3.41Å; N739-H741 PolarHBondContact O-N 2.92Å; N739-H741 VanDerWaalsContact O-N 3.08Å; N739-V742 HydrophobicContact CB-CG2 4Å; N739-V742 WeakPolarHBondContact O-CG2 3.47Å; N739-V742 PolarHBondContact O-N 2.95Å; N739-R743 WeakPolarHBondContact O-CG 3.05Å
740	F	96.4	Very high	95.4	Very high	45 Å²	45	29.5 Å²	29.5	20%	0.197	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.7	-177.7	68.8	-91.4	0	0	0	113.6	V735 Y736 I737 T738 R743 V750 Y811 R922	V735-F740 HydrophobicContact CG1-CD1 4.36Å; V735-F740 HydrophobicContact CG1-CE1 4.36Å; Y736-F740 HydrophobicContact CE1-CB 3.71Å; Y736-F740 HydrophobicContact CE1-CG 4.47Å; Y736-F740 HydrophobicContact CE2-CB 4.4Å; Y736-F740 WeakPolarHBondContact OH-CB 3.49Å; I737-F740 HydrophobicContact CG2-CB 4.11Å; I737-F740 VanDerWaalsContact O-CD1 3.31Å; I737-F740 WeakPolarHBondContact O-CD1 3.36Å; T738-F740 WeakPolarHBondContact O-CD1 3.31Å; T738-F740 PolarHBondContact O-N 3.33Å; F740-R743 PolarHBondContact O-N 2.97Å; F740-V750 HydrophobicContact CD2-CG2 4.15Å; F740-V750 HydrophobicContact CE1-CG1 4.49Å; F740-V750 HydrophobicContact CE2-CG2 4.3Å; F740-V750 HydrophobicContact CG-CG2 4.4Å; F740-V750 HydrophobicContact CZ-CG1 4.25Å; F740-Y811 HydrophobicContact CD2-CE2 4.39Å; F740-Y811 HydrophobicContact CE2-CE2 4.29Å; F740-R922 PolarHBondContact O-NH1 2.9Å
741	H	95.8	Very high	95.6	Very high	93 Å²	93	28.4 Å²	28.4	43%	0.431	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-31.6	-177.5	63.8	-81.5	0	0	0	113.6	N739 Q906 R922	N739-H741 PolarHBondContact O-N 2.92Å; N739-H741 VanDerWaalsContact O-N 3.08Å; H741-Q906 PolarHBondContact O-NE2 3.13Å; H741-Q906 PolarHBondContact O-OE1 3.26Å; H741-R922 VanDerWaalsContact O-CZ 3.31Å; H741-R922 PolarHBondContact O-NH1 2.98Å; H741-R922 PolarHBondContact O-NH2 3.17Å
742	V	95.6	Very high	95.7	Very high	33 Å²	33	30 Å²	30	20%	0.2	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.4	172.6	-69.3	0	0	0	0	112.8	N175 N739	N175-V742 HydrophobicContact CB-CG2 4.24Å; N739-V742 HydrophobicContact CB-CG2 4Å; N739-V742 WeakPolarHBondContact O-CG2 3.47Å; N739-V742 PolarHBondContact O-N 2.95Å
743	R	94.3	Very high	95.8	Very high	6 Å²	6	36.9 Å²	36.9	2%	0.023	18%	0.184	C	C	.	.			trans	-84.3	126.9	-176.8	-68.9	-179.8	62.1	101.5	10.5	111.9	R114 E191 N739 F740 D745 R922	R114-R743 VanDerWaalsContact NE-NH1 3.15Å; E191-R743 VanDerWaalsContact CD-NH2 3.28Å; E191-R743 IonicContact OE1-CZ 3.35Å; E191-R743 IonicContact OE1-NH1 3.63Å; E191-R743 PolarHBondContact OE1-NH1 3.19Å; E191-R743 VanDerWaalsContact OE1-NH1 3.14Å; E191-R743 IonicContact OE1-NH2 3.74Å; E191-R743 PolarHBondContact OE1-NH2 3.3Å; E191-R743 IonicContact OE2-NH2 2.94Å; N739-R743 WeakPolarHBondContact O-CG 3.05Å; F740-R743 PolarHBondContact O-N 2.97Å; R743-D745 VanDerWaalsContact C-N 3.3Å; R743-D745 IonicContact CZ-OD1 3.82Å; R743-D745 IonicContact CZ-OD2 3.12Å; R743-D745 IonicContact NE-OD1 3.55Å; R743-D745 IonicContact NE-OD2 2.73Å; R743-D745 PolarHBondContact NE-OD2 3.2Å; R743-D745 VanDerWaalsContact NE-OD2 3.1Å; R743-D745 IonicContact NH2-OD1 3.33Å; R743-D745 PolarHBondContact NH2-OD1 3.17Å; R743-D745 IonicContact NH2-OD2 3.43Å; R743-D745 PolarHBondContact O-N 2.92Å; R743-R922 PolarHBondContact O-NH1 3.28Å
744	M	94.6	Very high	96	Very high	21 Å²	21	38.8 Å²	38.8	10%	0.103	20%	0.196	C	C	.	.			trans	-92.1	57.1	174.5	-65	-69.1	-172.9	0	0	111.6	L115 Q906 M908 K920 R922	L115-M744 HydrophobicContact CD2-CB 3.93Å; L115-M744 HydrophobicContact CD2-CG 3.68Å; M744-Q906 HydrophobicContact CE-CB 3.57Å; M744-M908 HydrophobicContact CE-CB 4.08Å; M744-K920 HydrophobicContact CB-CB 4.49Å; M744-K920 HydrophobicContact CB-CD 3.82Å; M744-K920 HydrophobicContact CG-CB 4.45Å; M744-K920 HydrophobicContact CG-CD 4.38Å; M744-R922 HydrophobicContact SD-CB 3.73Å; M744-R922 HydrophobicContact SD-CG 4.49Å
745	D	93.5	Very high	96.1	Very high	34 Å²	34	42.5 Å²	42.5	18%	0.182	21%	0.213	C	C	.	.			trans	-69	145.7	177.2	-66.5	-43.1	0	0	0	110.4	Y736 R743 L747 S813	Y736-D745 PolarHBondContact OH-OD2 2.81Å; R743-D745 VanDerWaalsContact C-N 3.3Å; R743-D745 IonicContact CZ-OD1 3.82Å; R743-D745 IonicContact CZ-OD2 3.12Å; R743-D745 IonicContact NE-OD1 3.55Å; R743-D745 IonicContact NE-OD2 2.73Å; R743-D745 PolarHBondContact NE-OD2 3.2Å; R743-D745 VanDerWaalsContact NE-OD2 3.1Å; R743-D745 IonicContact NH2-OD1 3.33Å; R743-D745 PolarHBondContact NH2-OD1 3.17Å; R743-D745 IonicContact NH2-OD2 3.43Å; R743-D745 PolarHBondContact O-N 2.92Å; D745-L747 VanDerWaalsContact C-N 3.33Å; D745-L747 PolarHBondContact O-N 2.57Å; D745-S813 VanDerWaalsContact O-CB 3.23Å; D745-S813 WeakPolarHBondContact O-CB 3.18Å; D745-S813 PolarHBondContact O-OG 2.88Å
746	T	92.1	Very high	96.1	Very high	100 Å²	100	46.1 Å²	46.1	61%	0.613	23%	0.227	S	C	*	.	S	Bend	trans	-65.9	-35.6	-174.2	50.8	0	0	0	0	113.2	R812 S813	T746-R812 WeakPolarHBondContact O-CA 3.01Å; T746-S813 PolarHBondContact O-N 3.5Å; T746-S813 VanDerWaalsContact O-N 3.16Å
747	L	93.2	Very high	96.2	Very high	82 Å²	82	46 Å²	46	43%	0.429	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	124.4	178.7	-175.2	153.7	0	0	0	108.7	D745 F810 Y811	D745-L747 VanDerWaalsContact C-N 3.33Å; D745-L747 PolarHBondContact O-N 2.57Å; L747-F810 HydrophobicContact CD1-CE2 3.95Å; L747-F810 HydrophobicContact CD1-CZ 4.25Å; L747-F810 HydrophobicContact CD2-CE2 4.23Å; L747-F810 HydrophobicContact CG-CE2 3.67Å; L747-F810 HydrophobicContact CG-CZ 4.24Å; L747-Y811 WeakPolarHBondContact CA-O 3.4Å
748	A	95.4	Very high	96.2	Very high	6 Å²	6	48 Å²	48	5%	0.05	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.9	174.6	0	0	0	0	0	111.6	Y736 F810 Y811	Y736-A748 HydrophobicContact CE1-CB 3.79Å; A748-F810 WeakPolarHBondContact O-CA 3.28Å; A748-Y811 HydrophobicContact CB-CD2 4.46Å; A748-Y811 PolarHBondContact N-O 2.95Å; A748-Y811 PolarHBondContact O-N 3.17Å
749	H	96.3	Very high	96.2	Very high	6 Å²	6	45 Å²	45	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.6	176.2	-74.5	-80	0	0	0	108.5	L473 M733 G734 V809 F810 M1054	L473-H749 HydrophobicContact CD1-CB 4.49Å; M733-H749 HydrophobicContact CB-CB 4.4Å; M733-H749 HydrophobicContact CE-CB 3.74Å; M733-H749 HydrophobicContact CG-CB 3.82Å; M733-H749 HydrophobicContact SD-CB 4.04Å; G734-H749 VanDerWaalsContact O-O 3.14Å; H749-V809 WeakPolarHBondContact CA-O 3.47Å; H749-F810 AromaticContact CE1-CD2 3.18Å; H749-F810 WeakPolarHBondContact CE1-CD2 3.06Å; H749-F810 AromaticContact CE1-CE2 3.63Å; H749-F810 AromaticContact ND1-CD2 3.6Å; H749-F810 AromaticContact NE2-CD2 3.61Å; H749-F810 AromaticContact NE2-CE2 3.65Å; H749-M1054 VanDerWaalsContact CE1-CE 3.46Å; H749-M1054 WeakPolarHBondContact CE1-CE 3.45Å
750	V	97.6	Very high	96.2	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.2	179.5	-176	0	0	0	0	109.4	V735 Y736 F740 S808 V809 Y811	V735-V750 HydrophobicContact CG2-CG1 3.89Å; Y736-V750 HydrophobicContact CD1-CG2 4.15Å; Y736-V750 HydrophobicContact CE1-CG2 3.96Å; F740-V750 HydrophobicContact CD2-CG2 4.15Å; F740-V750 HydrophobicContact CE1-CG1 4.49Å; F740-V750 HydrophobicContact CE2-CG2 4.3Å; F740-V750 HydrophobicContact CG-CG2 4.4Å; F740-V750 HydrophobicContact CZ-CG1 4.25Å; V750-S808 CarbonylContact O-C 3.51Å; V750-S808 WeakPolarHBondContact O-CA 3.5Å; V750-S808 VanDerWaalsContact O-CB 3.3Å; V750-S808 WeakPolarHBondContact O-CB 3.46Å; V750-V809 HydrophobicContact CB-CG1 3.88Å; V750-V809 PolarHBondContact N-O 2.87Å; V750-V809 PolarHBondContact O-N 3.07Å; V750-Y811 HydrophobicContact CG2-CE2 4.49Å
751	L	97.8	Very high	96.2	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	147.6	173.4	-74.5	178.5	0	0	0	110.6	M733 P754 F806	M733-L751 HydrophobicContact CB-CG 4.37Å; M733-L751 WeakPolarHBondContact O-CD1 3.38Å; L751-P754 HydrophobicContact CB-CB 4.42Å; L751-F806 HydrophobicContact CD2-CD1 4.29Å
752	Y	97.9	Very high	96.1	Very high	88 Å²	88	41.8 Å²	41.8	35%	0.345	20%	0.203	S	C	.	.	S	Bend	trans	-70.7	-46.5	177	-83.1	41.9	0	0	0	111.6	R807 V809 V926	Y752-R807 WeakPolarHBondContact CB-O 3.35Å; Y752-R807 HydrophobicContact CD1-CB 4.38Å; Y752-R807 HydrophobicContact CD1-CG 4.35Å; Y752-R807 WeakPolarHBondContact CD1-O 3.49Å; Y752-R807 HydrophobicContact CD2-CB 4.44Å; Y752-R807 HydrophobicContact CD2-CG 4.41Å; Y752-R807 HydrophobicContact CE1-CG 4.27Å; Y752-R807 HydrophobicContact CE2-CG 4.33Å; Y752-R807 HydrophobicContact CG-CB 4.21Å; Y752-R807 HydrophobicContact CG-CG 4.43Å; Y752-R807 PolarHBondContact N-O 2.76Å; Y752-V809 HydrophobicContact CE1-CB 3.95Å; Y752-V809 HydrophobicContact CE1-CG1 4.41Å; Y752-V926 HydrophobicContact CE1-CG1 4.34Å; Y752-V926 WeakPolarHBondContact OH-CG1 3.43Å; Y752-V926 WeakPolarHBondContact OH-CG2 3.48Å
753	Y	98	Very high	96.1	Very high	145 Å²	145	40.3 Å²	40.3	57%	0.569	19%	0.194	S	C	*	.	S	Bend	trans	-131	70.5	-173.9	-54.4	-64.9	0	0	0	110.7	I776	Y753-I776 WeakPolarHBondContact O-CD1 3.32Å; Y753-I776 WeakPolarHBondContact O-CG1 3.48Å
754	P	97.7	Very high	96.2	Very high	40 Å²	40	40 Å²	40	26%	0.26	19%	0.193	S	C	.	.			trans	-67.6	143.5	172.7	34.9	-38.3	0	0	0	109.6	V735 L751 P773	V735-P754 HydrophobicContact CG2-CG 3.96Å; L751-P754 HydrophobicContact CB-CB 4.42Å; P754-P773 HydrophobicContact CB-CG 4.03Å
755	Q	97.8	Very high	96.2	Very high	79 Å²	79	44 Å²	44	37%	0.369	21%	0.211	S	C	.	.			trans	-122.9	148.6	179.6	-64.7	179.8	-11.2	0	0	110.6	P773 G775 I776 N777 Y1047	Q755-P773 VanDerWaalsContact C-CG 3.48Å; Q755-P773 WeakPolarHBondContact O-CB 3.41Å; Q755-P773 WeakPolarHBondContact O-CG 3.38Å; Q755-G775 PolarHBondContact N-O 2.71Å; Q755-I776 HydrophobicContact CG-CG2 4.42Å; Q755-N777 PolarHBondContact OE1-ND2 3.1Å; Q755-Y1047 WeakPolarHBondContact O-CE2 2.96Å; Q755-Y1047 PolarHBondContact O-OH 3.01Å
756	K	96.9	Very high	96.3	Very high	103 Å²	103	43.5 Å²	43.5	45%	0.448	21%	0.207	S	C	.	.			trans	-66.9	143.9	164.3	63.3	-176.9	178.8	-176.8	0	109.7	N777	K756-N777 PolarHBondContact O-ND2 3.35Å
757	P	97.9	Very high	96.4	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.019	18%	0.179	C	C	.	.			trans	-67	139.9	177.3	28	-33.8	0	0	0	110.8	V759 M764 F769 N777 Y1047	P757-V759 VanDerWaalsContact C-N 3.28Å; P757-M764 HydrophobicContact CG-CE 4.26Å; P757-M764 HydrophobicContact CG-SD 3.7Å; P757-F769 HydrophobicContact CG-CD1 4.46Å; P757-F769 HydrophobicContact CG-CE1 4.4Å; P757-N777 WeakPolarHBondContact CA-OD1 3.1Å; P757-Y1047 HydrophobicContact CB-CD1 4.44Å; P757-Y1047 HydrophobicContact CB-CD2 3.86Å; P757-Y1047 HydrophobicContact CB-CE2 4.29Å; P757-Y1047 HydrophobicContact CB-CG 3.89Å
758	L	97.1	Very high	96.6	Very high	41 Å²	41	39.8 Å²	39.8	22%	0.215	18%	0.177	C	C	.	.	S	Bend	trans	-66.6	-32.1	174.3	-72.7	172	0	0	0	112.6	N777 A991 I996 G997 P1045	L758-N777 HydrophobicContact CD1-CB 4.16Å; L758-N777 HydrophobicContact CG-CB 4.34Å; L758-N777 PolarHBondContact N-OD1 3.34Å; L758-A991 HydrophobicContact CD1-CB 4.21Å; L758-I996 HydrophobicContact CD2-CD1 4.47Å; L758-I996 WeakPolarHBondContact O-CG2 3.42Å; L758-G997 PolarHBondContact O-N 3.39Å; L758-P1045 HydrophobicContact CD1-CB 3.86Å; L758-P1045 HydrophobicContact CD1-CG 4.05Å
759	V	97.1	Very high	96.6	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.9	179.1	-178.3	0	0	0	0	107.7	P712 F713 P757 R938 E983 Q986 G987 G997 A999	P712-V759 HydrophobicContact CB-CG1 4.13Å; F713-V759 HydrophobicContact CE2-CG1 4.11Å; P757-V759 VanDerWaalsContact C-N 3.28Å; V759-R938 VanDerWaalsContact O-CZ 3.28Å; V759-R938 PolarHBondContact O-NH1 2.78Å; V759-R938 PolarHBondContact O-NH2 3.43Å; V759-E983 HydrophobicContact CB-CG 4.1Å; V759-E983 HydrophobicContact CG1-CG 4.31Å; V759-E983 HydrophobicContact CG2-CG 4.27Å; V759-Q986 HydrophobicContact CG1-CB 4.39Å; V759-Q986 HydrophobicContact CG1-CG 4.03Å; V759-Q986 HydrophobicContact CG2-CB 4.06Å; V759-Q986 HydrophobicContact CG2-CG 3.91Å; V759-G987 VanDerWaalsContact CG2-CA 3.42Å; V759-G987 VanDerWaalsContact CG2-N 3.33Å; V759-G997 WeakPolarHBondContact CA-O 3.34Å; V759-A999 HydrophobicContact CG1-CB 3.35Å
760	T	96.8	Very high	96.6	Very high	16 Å²	16	44.2 Å²	44.2	10%	0.098	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154	-168.8	-161.1	0	0	0	0	110.9	M764 I996 G997 A999	T760-M764 PolarHBondContact OG1-SD 3.24Å; T760-I996 HydrophobicContact CG2-CG2 3.45Å; T760-I996 VanDerWaalsContact CG2-CG2 3.45Å; T760-G997 PolarHBondContact N-O 2.88Å; T760-A999 PolarHBondContact O-N 2.84Å
761	T	96.1	Very high	96.5	Very high	3 Å²	3	48 Å²	48	2%	0.018	21%	0.209	C	C	.	.			trans	-93.3	149.1	167.3	65.3	0	0	0	0	107.8	S709 I711 S763 M764	S709-T761 PolarHBondContact O-OG1 3.49Å; I711-T761 WeakPolarHBondContact O-CG2 3.41Å; T761-S763 PolarHBondContact O-N 2.95Å; T761-M764 WeakPolarHBondContact O-CB 3.47Å; T761-M764 PolarHBondContact O-N 3.28Å
762	R	94.9	Very high	96.5	Very high	58 Å²	58	48.3 Å²	48.3	22%	0.219	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.1	176.6	-69.5	178.3	-179.9	-132.8	4.2	112	E24 W27 M764 E765 D998 T1000	E24-R762 IonicContact OE1-CZ 2.95Å; E24-R762 IonicContact OE1-NH1 2.87Å; E24-R762 PolarHBondContact OE1-NH1 3.07Å; E24-R762 IonicContact OE1-NH2 3.9Å; E24-R762 PolarHBondContact OE1-NH2 3.34Å; E24-R762 IonicContact OE2-CZ 3.36Å; E24-R762 IonicContact OE2-NH1 2.8Å; E24-R762 PolarHBondContact OE2-NH1 3.08Å; E24-R762 IonicContact OE2-NH2 3.15Å; W27-R762 VanDerWaalsContact CD1-NH1 3.26Å; W27-R762 HydrophobicContact CD2-CB 3.84Å; W27-R762 HydrophobicContact CD2-CG 4.41Å; W27-R762 VanDerWaalsContact CE2-CD 3.41Å; W27-R762 HydrophobicContact CE3-CB 3.75Å; W27-R762 HydrophobicContact CH2-CB 3.78Å; W27-R762 HydrophobicContact CZ2-CB 3.9Å; W27-R762 HydrophobicContact CZ3-CB 3.7Å; R762-M764 PolarHBondContact O-N 2.81Å; R762-E765 WeakPolarHBondContact O-CB 3.48Å; R762-E765 PolarHBondContact O-N 3.28Å; R762-E765 VanDerWaalsContact O-N 3.13Å; R762-D998 IonicContact CZ-OD2 2.91Å; R762-D998 IonicContact NE-OD2 3.92Å; R762-D998 PolarHBondContact NE-OD2 3.3Å; R762-D998 VanDerWaalsContact NE-OD2 3.15Å; R762-D998 IonicContact NH2-OD2 3.85Å; R762-T1000 PolarHBondContact N-OG1 3.01Å
763	S	95.6	Very high	96.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-56.6	-24.1	174.4	-53.9	0	0	0	0	115	M702 T761 E765 Y766 L767	M702-S763 WeakPolarHBondContact CE-OG 3.49Å; T761-S763 PolarHBondContact O-N 2.95Å; S763-E765 PolarHBondContact O-N 3.39Å; S763-Y766 PolarHBondContact O-N 2.63Å; S763-L767 WeakPolarHBondContact O-CG 3.43Å; S763-L767 PolarHBondContact O-N 3.1Å
764	M	95.9	Very high	96.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.4	-22.1	178.7	-76.9	-171.9	178.5	0	0	113.8	I710 P757 T760 T761 R762 L767 R768 F769 R938	I710-M764 VanDerWaalsContact C-CE 3.48Å; I710-M764 HydrophobicContact CB-CE 3.72Å; I710-M764 HydrophobicContact CG2-CE 4.17Å; I710-M764 WeakPolarHBondContact O-CE 3.49Å; P757-M764 HydrophobicContact CG-CE 4.26Å; P757-M764 HydrophobicContact CG-SD 3.7Å; T760-M764 PolarHBondContact OG1-SD 3.24Å; T761-M764 WeakPolarHBondContact O-CB 3.47Å; T761-M764 PolarHBondContact O-N 3.28Å; R762-M764 PolarHBondContact O-N 2.81Å; M764-L767 PolarHBondContact O-N 3.43Å; M764-R768 PolarHBondContact O-N 2.93Å; M764-F769 HydrophobicContact CB-CB 4.24Å; M764-F769 HydrophobicContact CE-CD1 4.29Å; M764-F769 HydrophobicContact CE-CE1 4.49Å; M764-F769 HydrophobicContact CG-CB 4.38Å; M764-F769 PolarHBondContact O-N 3.18Å; M764-F769 VanDerWaalsContact O-N 3.09Å; M764-F769 HydrophobicContact SD-CD1 3.86Å; M764-R938 VanDerWaalsContact CE-NH1 3.34Å
765	E	95.4	Very high	96.3	Very high	104 Å²	104	35.9 Å²	35.9	49%	0.486	16%	0.159	S	C	.	.	H	α-helix	trans	-63.8	-50.9	176.7	-177.9	155.1	-155.1	0	0	111	R762 S763 L767 R768	R762-E765 WeakPolarHBondContact O-CB 3.48Å; R762-E765 PolarHBondContact O-N 3.28Å; R762-E765 VanDerWaalsContact O-N 3.13Å; S763-E765 PolarHBondContact O-N 3.39Å; E765-L767 VanDerWaalsContact C-N 3.27Å; E765-L767 PolarHBondContact O-N 2.82Å; E765-R768 WeakPolarHBondContact O-CA 3.22Å; E765-R768 PolarHBondContact O-N 2.88Å
766	Y	95.2	Very high	96.3	Very high	24 Å²	24	32.5 Å²	32.5	9%	0.094	14%	0.143	C	C	.	.	H	α-helix	trans	-66.1	-30.7	177.4	-47.2	-49.9	0	0	0	112.7	W27 I30 S31 F34 S763 R768	W27-Y766 AromaticContact CE3-CE2 3.8Å; W27-Y766 HydrophobicContact CE3-CE2 3.8Å; W27-Y766 AromaticContact CZ3-CE2 3.87Å; W27-Y766 HydrophobicContact CZ3-CE2 3.87Å; W27-Y766 PolarHBondContact O-OH 3.06Å; I30-Y766 HydrophobicContact CB-CE2 4.37Å; I30-Y766 HydrophobicContact CG2-CD2 4.1Å; I30-Y766 HydrophobicContact CG2-CE2 3.43Å; I30-Y766 VanDerWaalsContact CG2-CE2 3.43Å; S31-Y766 PolarHBondContact N-OH 2.93Å; F34-Y766 HydrophobicContact CB-CD1 4.06Å; F34-Y766 HydrophobicContact CB-CG 4.17Å; F34-Y766 AromaticContact CD2-CD1 3.98Å; F34-Y766 HydrophobicContact CD2-CD1 3.98Å; F34-Y766 AromaticContact CD2-CD2 3.5Å; F34-Y766 HydrophobicContact CD2-CD2 3.5Å; F34-Y766 VanDerWaalsContact CD2-CD2 3.5Å; F34-Y766 HydrophobicContact CD2-CE1 4.5Å; F34-Y766 HydrophobicContact CD2-CE2 4.04Å; F34-Y766 AromaticContact CD2-CG 3.45Å; F34-Y766 HydrophobicContact CD2-CG 3.45Å; F34-Y766 VanDerWaalsContact CD2-CG 3.45Å; F34-Y766 AromaticContact CE2-CD2 3.77Å; F34-Y766 HydrophobicContact CE2-CD2 3.77Å; F34-Y766 HydrophobicContact CE2-CE2 4.34Å; F34-Y766 HydrophobicContact CE2-CG 4.13Å; F34-Y766 HydrophobicContact CG-CD1 4.36Å; F34-Y766 HydrophobicContact CG-CD2 4.45Å; F34-Y766 AromaticContact CG-CG 3.99Å; F34-Y766 HydrophobicContact CG-CG 3.99Å; S763-Y766 PolarHBondContact O-N 2.63Å; Y766-R768 PolarHBondContact O-N 3.43Å
767	L	94.9	Very high	96.3	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.1	172.8	-62.5	-177	0	0	0	113.5	L39 F475 L479 L528 V706 I710 S763 M764 E765 F769	L39-L767 HydrophobicContact CD1-CD2 3.84Å; L39-L767 HydrophobicContact CD2-CD2 4.2Å; F475-L767 VanDerWaalsContact CE1-O 3.24Å; F475-L767 WeakPolarHBondContact CE1-O 3.48Å; L479-L767 HydrophobicContact CD1-CD2 4.38Å; L528-L767 HydrophobicContact CD2-CD2 4.06Å; V706-L767 HydrophobicContact CB-CD2 4.4Å; V706-L767 HydrophobicContact CG1-CD1 4.19Å; V706-L767 HydrophobicContact CG1-CD2 3.88Å; V706-L767 HydrophobicContact CG2-CD2 4.2Å; V706-L767 WeakPolarHBondContact O-CD1 3.39Å; I710-L767 HydrophobicContact CG2-CD1 4.14Å; S763-L767 WeakPolarHBondContact O-CG 3.43Å; S763-L767 PolarHBondContact O-N 3.1Å; M764-L767 PolarHBondContact O-N 3.43Å; E765-L767 VanDerWaalsContact C-N 3.27Å; E765-L767 PolarHBondContact O-N 2.82Å; L767-F769 HydrophobicContact CB-CB 4.47Å; L767-F769 PolarHBondContact O-N 3.44Å
768	R	96.6	Very high	96.3	Very high	101 Å²	101	28.8 Å²	28.8	38%	0.381	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	28.1	-175.9	-55.2	-74	170.3	-179.6	-2.8	112.6	F475 M764 E765 Y766 R770 E771 L772	F475-R768 HydrophobicContact CE1-CB 4.04Å; M764-R768 PolarHBondContact O-N 2.93Å; E765-R768 WeakPolarHBondContact O-CA 3.22Å; E765-R768 PolarHBondContact O-N 2.88Å; Y766-R768 PolarHBondContact O-N 3.43Å; R768-R770 VanDerWaalsContact C-N 3.26Å; R768-R770 PolarHBondContact O-N 3Å; R768-E771 WeakPolarHBondContact CD-OE1 3.34Å; R768-E771 WeakPolarHBondContact CD-OE2 3.44Å; R768-E771 IonicContact CZ-OE1 2.81Å; R768-E771 IonicContact NE-OE1 3.53Å; R768-E771 IonicContact NH1-OE1 3.61Å; R768-E771 PolarHBondContact NH1-OE1 2.83Å; R768-E771 PolarHBondContact O-N 2.77Å; R768-L772 PolarHBondContact O-N 3.12Å
769	F	96.1	Very high	96.4	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.031	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.1	-175.2	-170.3	-98.2	0	0	0	112.1	I710 P757 M764 L767 E771 L772 P773 A774 Y1047	I710-F769 HydrophobicContact CG2-CD2 4.23Å; I710-F769 HydrophobicContact CG2-CE2 4.46Å; I710-F769 HydrophobicContact CG2-CG 4.4Å; P757-F769 HydrophobicContact CG-CD1 4.46Å; P757-F769 HydrophobicContact CG-CE1 4.4Å; M764-F769 HydrophobicContact CB-CB 4.24Å; M764-F769 HydrophobicContact CE-CD1 4.29Å; M764-F769 HydrophobicContact CE-CE1 4.49Å; M764-F769 HydrophobicContact CG-CB 4.38Å; M764-F769 PolarHBondContact O-N 3.18Å; M764-F769 VanDerWaalsContact O-N 3.09Å; M764-F769 HydrophobicContact SD-CD1 3.86Å; L767-F769 HydrophobicContact CB-CB 4.47Å; L767-F769 PolarHBondContact O-N 3.44Å; F769-E771 VanDerWaalsContact C-N 3.31Å; F769-L772 CarbonylContact O-C 3.39Å; F769-P773 WeakPolarHBondContact O-CA 3.47Å; F769-A774 HydrophobicContact CE2-CB 4.2Å; F769-A774 HydrophobicContact CZ-CB 4.23Å; F769-Y1047 HydrophobicContact CE1-CE1 4.2Å; F769-Y1047 HydrophobicContact CZ-CE1 4.25Å
770	R	95.1	Very high	96.5	Very high	97 Å²	97	29 Å²	29	37%	0.366	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.3	173.8	-62	177.3	84.5	-178.4	9.8	111.9	R768	R768-R770 VanDerWaalsContact C-N 3.26Å; R768-R770 PolarHBondContact O-N 3Å
771	E	96.2	Very high	96.5	Very high	87 Å²	87	28.3 Å²	28.3	41%	0.407	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-42.3	179.5	-62.3	170.3	-165	0	0	111.1	L179 R768 F769 P773	L179-E771 HydrophobicContact CD1-CB 4.16Å; L179-E771 WeakPolarHBondContact CD1-OE2 3.41Å; L179-E771 WeakPolarHBondContact CD2-OE2 3.49Å; R768-E771 WeakPolarHBondContact CD-OE1 3.34Å; R768-E771 WeakPolarHBondContact CD-OE2 3.44Å; R768-E771 IonicContact CZ-OE1 2.81Å; R768-E771 IonicContact NE-OE1 3.53Å; R768-E771 IonicContact NH1-OE1 3.61Å; R768-E771 PolarHBondContact NH1-OE1 2.83Å; R768-E771 PolarHBondContact O-N 2.77Å; F769-E771 VanDerWaalsContact C-N 3.31Å; E771-P773 VanDerWaalsContact C-CD 3.44Å; E771-P773 WeakPolarHBondContact O-CD 3.44Å
772	L	96.9	Very high	96.6	Very high	10 Å²	10	29.1 Å²	29.1	5%	0.052	13%	0.129	C	C	.	.	S	Bend	trans	-122.5	71.6	179.9	-63.6	-180	0	0	0	112.9	L179 F475 V735 T738 R768 F769	L179-L772 HydrophobicContact CD1-CD1 3.86Å; L179-L772 HydrophobicContact CD1-CG 4.01Å; F475-L772 HydrophobicContact CB-CB 4.21Å; F475-L772 HydrophobicContact CB-CD1 4.23Å; F475-L772 HydrophobicContact CD2-CD1 3.88Å; F475-L772 HydrophobicContact CE2-CD1 4.44Å; F475-L772 HydrophobicContact CG-CD1 4.02Å; V735-L772 HydrophobicContact CB-CD2 4.01Å; V735-L772 HydrophobicContact CG1-CD2 3.66Å; T738-L772 HydrophobicContact CG2-CD2 4.27Å; R768-L772 PolarHBondContact O-N 3.12Å; F769-L772 CarbonylContact O-C 3.39Å
773	P	96.9	Very high	96.7	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.052	12%	0.122	C	C	.	.			trans	-76.3	160.4	-177.8	18.8	-17.3	0	0	0	114.1	G734 P754 Q755 F769 E771 Y1047	G734-P773 WeakPolarHBondContact CA-O 3.37Å; P754-P773 HydrophobicContact CB-CG 4.03Å; Q755-P773 VanDerWaalsContact C-CG 3.48Å; Q755-P773 WeakPolarHBondContact O-CB 3.41Å; Q755-P773 WeakPolarHBondContact O-CG 3.38Å; F769-P773 WeakPolarHBondContact O-CA 3.47Å; E771-P773 VanDerWaalsContact C-CD 3.44Å; E771-P773 WeakPolarHBondContact O-CD 3.44Å; P773-Y1047 WeakPolarHBondContact CB-OH 3.48Å
774	A	95.3	Very high	96.8	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.033	15%	0.154	C	C	.	.			trans	-121.4	34	-175.5	0	0	0	0	0	115	T474 A732 M733 F769 Y1047	T474-A774 HydrophobicContact CG2-CB 4.02Å; A732-A774 HydrophobicContact CB-CB 4.07Å; M733-A774 CarbonylContact O-C 3.54Å; M733-A774 VanDerWaalsContact O-CA 3.28Å; M733-A774 WeakPolarHBondContact O-CA 3.44Å; M733-A774 VanDerWaalsContact O-O 3.12Å; F769-A774 HydrophobicContact CE2-CB 4.2Å; F769-A774 HydrophobicContact CZ-CB 4.23Å; A774-Y1047 PolarHBondContact N-OH 3.18Å; A774-Y1047 VanDerWaalsContact N-OH 3.11Å
775	G	96.6	Very high	96.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.			trans	-178.6	-175	-171.3	0	0	0	0	0	114.3	Q755 Y1047 Y1048	Q755-G775 PolarHBondContact N-O 2.71Å; G775-Y1047 VanDerWaalsContact C-CZ 3.49Å; G775-Y1047 VanDerWaalsContact CA-OH 3.25Å; G775-Y1047 WeakPolarHBondContact CA-OH 3.49Å; G775-Y1047 PolarHBondContact N-OH 3.47Å; G775-Y1048 CarbonylContact C-O 3.29Å; G775-Y1048 WeakPolarHBondContact CA-O 3.35Å
776	I	98.4	Very high	96.9	Very high	9 Å²	9	29.5 Å²	29.5	5%	0.046	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.7	-176.1	-58.3	-178.6	0	0	0	109.1	Y753 Q755 S778 F805 F806 Y1048	Y753-I776 WeakPolarHBondContact O-CD1 3.32Å; Y753-I776 WeakPolarHBondContact O-CG1 3.48Å; Q755-I776 HydrophobicContact CG-CG2 4.42Å; I776-S778 PolarHBondContact O-N 3.29Å; I776-S778 PolarHBondContact O-OG 3.37Å; I776-F805 HydrophobicContact CB-CE2 4.34Å; I776-F805 HydrophobicContact CD1-CD2 4.32Å; I776-F805 HydrophobicContact CG2-CD2 4.08Å; I776-F805 HydrophobicContact CG2-CE2 3.83Å; I776-F806 HydrophobicContact CB-CD1 4.37Å; I776-F806 HydrophobicContact CB-CE1 3.74Å; I776-F806 HydrophobicContact CB-CE2 4.28Å; I776-F806 HydrophobicContact CB-CZ 3.67Å; I776-F806 HydrophobicContact CD1-CB 4.47Å; I776-F806 HydrophobicContact CD1-CD1 3.67Å; I776-F806 HydrophobicContact CD1-CE1 3.94Å; I776-F806 HydrophobicContact CD1-CG 3.96Å; I776-F806 HydrophobicContact CD1-CZ 4.45Å; I776-F806 HydrophobicContact CG1-CD1 3.91Å; I776-F806 HydrophobicContact CG1-CE1 3.65Å; I776-F806 HydrophobicContact CG1-CZ 4.12Å; I776-Y1048 PolarHBondContact N-O 3.24Å; I776-Y1048 PolarHBondContact O-N 2.95Å
777	N	98.3	Very high	96.8	Very high	27 Å²	27	29.8 Å²	29.8	14%	0.144	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	114.4	170	-56	-73.6	0	0	0	108.5	Q755 K756 P757 L758	Q755-N777 PolarHBondContact OE1-ND2 3.1Å; K756-N777 PolarHBondContact O-ND2 3.35Å; P757-N777 WeakPolarHBondContact CA-OD1 3.1Å; L758-N777 HydrophobicContact CD1-CB 4.16Å; L758-N777 HydrophobicContact CG-CB 4.34Å; L758-N777 PolarHBondContact N-OD1 3.34Å
778	S	97.9	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141	-174.9	-50.6	0	0	0	0	109.2	I776 V780 F805 P1045 T1046	I776-S778 PolarHBondContact O-N 3.29Å; I776-S778 PolarHBondContact O-OG 3.37Å; S778-V780 PolarHBondContact O-N 2.84Å; S778-F805 WeakPolarHBondContact OG-CE2 3.3Å; S778-F805 VanDerWaalsContact OG-CZ 3.26Å; S778-F805 WeakPolarHBondContact OG-CZ 3.4Å; S778-P1045 CarbonylContact O-C 3.55Å; S778-P1045 WeakPolarHBondContact O-CA 3.05Å; S778-T1046 PolarHBondContact N-O 3.34Å; S778-T1046 PolarHBondContact O-N 3.39Å
779	I	98.3	Very high	96.9	Very high	48 Å²	48	30.7 Å²	30.7	25%	0.246	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	112.3	169.5	-55.5	-56.4	0	0	0	108.5	I961 P963 D964 I965 L1043 P1045	I779-I961 HydrophobicContact CG2-CG2 4.39Å; I779-P963 HydrophobicContact CG2-CB 4.38Å; I779-D964 PolarHBondContact N-OD2 3.11Å; I779-D964 PolarHBondContact O-N 3.04Å; I779-I965 PolarHBondContact O-N 3.42Å; I779-I965 VanDerWaalsContact O-N 3.15Å; I779-L1043 HydrophobicContact CG2-CD1 3.84Å; I779-L1043 HydrophobicContact CG2-CD2 4.45Å; I779-L1043 HydrophobicContact CG2-CG 4.09Å; I779-P1045 HydrophobicContact CD1-CB 3.93Å
780	V	98	Very high	96.8	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.4	-176.4	-177.2	0	0	0	0	110.1	S778 I965 I967 L1043 G1044 Y1048	S778-V780 PolarHBondContact O-N 2.84Å; V780-I965 WeakPolarHBondContact CA-O 3.22Å; V780-I967 HydrophobicContact CG1-CD1 4.13Å; V780-I967 HydrophobicContact CG1-CG1 3.98Å; V780-I967 HydrophobicContact CG1-CG2 4.22Å; V780-L1043 CarbonylContact O-C 3.5Å; V780-L1043 WeakPolarHBondContact O-CA 3.38Å; V780-G1044 PolarHBondContact N-O 3.47Å; V780-G1044 PolarHBondContact O-N 2.91Å; V780-Y1048 HydrophobicContact CG2-CD2 4.02Å; V780-Y1048 HydrophobicContact CG2-CE2 3.62Å
781	A	98	Very high	96.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.1	166.5	0	0	0	0	0	110.1	P963 I965 I966 I967 I1041 F1042 L1043	A781-P963 HydrophobicContact CB-CB 3.8Å; A781-P963 HydrophobicContact CB-CG 3.86Å; A781-I965 PolarHBondContact N-O 3.28Å; A781-I966 HydrophobicContact CB-CG1 4.27Å; A781-I966 HydrophobicContact CB-CG2 4.36Å; A781-I966 CarbonylContact O-C 3.58Å; A781-I966 VanDerWaalsContact O-CA 3.31Å; A781-I966 WeakPolarHBondContact O-CA 3.37Å; A781-I966 WeakPolarHBondContact O-CG2 3.33Å; A781-I967 PolarHBondContact O-N 3.42Å; A781-I1041 HydrophobicContact CB-CG2 4.02Å; A781-F1042 WeakPolarHBondContact CA-O 3.22Å; A781-L1043 HydrophobicContact CB-CD1 3.77Å
782	I	97.8	Very high	96.2	Very high	20 Å²	20	38.9 Å²	38.9	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	94.1	174.2	-51.8	-172.3	0	0	0	107.9	I967 P969 L981 F1042	I782-I967 WeakPolarHBondContact CA-O 3.44Å; I782-I967 HydrophobicContact CB-CG1 4.29Å; I782-I967 HydrophobicContact CD1-CD1 4.11Å; I782-I967 HydrophobicContact CG1-CD1 3.89Å; I782-I967 HydrophobicContact CG1-CG1 3.78Å; I782-I967 HydrophobicContact CG2-CG1 4.31Å; I782-P969 HydrophobicContact CG2-CB 4.14Å; I782-P969 HydrophobicContact CG2-CG 4.06Å; I782-L981 HydrophobicContact CD1-CD2 3.35Å; I782-F1042 HydrophobicContact CD1-CD1 3.71Å; I782-F1042 HydrophobicContact CD1-CE1 4.15Å; I782-F1042 HydrophobicContact CG1-CD1 4.02Å; I782-F1042 PolarHBondContact N-O 2.83Å
783	A	97.7	Very high	96.2	Very high	10 Å²	10	39.4 Å²	39.4	8%	0.083	22%	0.215	C	C	.	.			trans	-150.6	145.8	-173.8	0	0	0	0	0	112.4	Y785 N789 I966 I967 I1041	A783-Y785 PolarHBondContact O-N 3Å; A783-N789 PolarHBondContact O-ND2 2.68Å; A783-I966 HydrophobicContact CB-CG2 3.96Å; A783-I966 WeakPolarHBondContact O-CG2 3.47Å; A783-I967 PolarHBondContact N-O 2.92Å; A783-I1041 HydrophobicContact CB-CD1 3.83Å; A783-I1041 HydrophobicContact CB-CG1 4.35Å; A783-I1041 HydrophobicContact CB-CG2 3.82Å
784	A	97.3	Very high	96.2	Very high	82 Å²	82	39.5 Å²	39.5	68%	0.678	22%	0.216	S	C	*	.			trans	-81.1	108.9	163.9	0	0	0	0	0	108.4
785	Y	96.9	Very high	96.4	Very high	18 Å²	18	39.3 Å²	39.3	7%	0.071	21%	0.214	C	C	.	.			trans	-130.8	128.6	-179.1	-168	-113.5	0	0	0	109.4	A783 G787 I795 Y949 D953 I966 N1030 F1032	A783-Y785 PolarHBondContact O-N 3Å; Y785-G787 PolarHBondContact O-N 3.21Å; Y785-I795 HydrophobicContact CD1-CD1 4.29Å; Y785-I795 WeakPolarHBondContact O-CD1 3.21Å; Y785-Y949 HydrophobicContact CD1-CE2 4.5Å; Y785-Y949 HydrophobicContact CE1-CD2 4.43Å; Y785-Y949 HydrophobicContact CE1-CE2 4.41Å; Y785-D953 PolarHBondContact OH-O 3.48Å; Y785-I966 HydrophobicContact CD1-CD1 4Å; Y785-I966 HydrophobicContact CG-CD1 4.28Å; Y785-N1030 PolarHBondContact OH-OD1 3.4Å; Y785-F1032 AromaticContact CE1-CE2 3.99Å; Y785-F1032 HydrophobicContact CE1-CE2 3.99Å; Y785-F1032 HydrophobicContact CE1-CZ 4.43Å; Y785-F1032 HydrophobicContact CE2-CE2 4.37Å; Y785-F1032 AromaticContact CZ-CE2 3.56Å; Y785-F1032 WeakPolarHBondContact OH-CD2 3.49Å; Y785-F1032 WeakPolarHBondContact OH-CE2 3.39Å
786	T	95.7	Very high	96.4	Very high	62 Å²	62	39.3 Å²	39.3	38%	0.38	21%	0.214	S	C	.	.	S	Bend	trans	50.1	-6.7	178.6	64.1	0	0	0	0	119	Y949 F1032	T786-Y949 WeakPolarHBondContact CB-OH 3.23Å; T786-Y949 HydrophobicContact CG2-CE2 4.23Å; T786-Y949 WeakPolarHBondContact OG1-CE2 3.42Å; T786-Y949 PolarHBondContact OG1-OH 3.01Å; T786-Y949 VanDerWaalsContact OG1-OH 3.09Å; T786-F1032 HydrophobicContact CG2-CE2 3.63Å; T786-F1032 HydrophobicContact CG2-CZ 4.1Å
787	G	94.9	Very high	96.4	Very high	30 Å²	30	39 Å²	39	31%	0.309	21%	0.212	S	C	.	.	S	Bend	trans	92.1	-16.5	178.8	0	0	0	0	0	115	Y785 N789 Q790	Y785-G787 PolarHBondContact O-N 3.21Å; G787-N789 PolarHBondContact O-N 3.47Å; G787-N789 VanDerWaalsContact O-N 3.13Å; G787-Q790 WeakPolarHBondContact O-CB 3.46Å; G787-Q790 WeakPolarHBondContact O-CG 3.47Å; G787-Q790 PolarHBondContact O-N 2.96Å
788	Y	96.8	Very high	96.4	Very high	123 Å²	123	41.4 Å²	41.4	48%	0.482	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	2.8	-175.8	-70.7	-80.9	0	0	0	115.4	S793 I947 Y949	Y788-S793 PolarHBondContact O-OG 3.4Å; Y788-I947 HydrophobicContact CD1-CB 4.07Å; Y788-I947 HydrophobicContact CD1-CD1 4.11Å; Y788-I947 HydrophobicContact CD1-CG2 4.34Å; Y788-I947 HydrophobicContact CD2-CD1 3.91Å; Y788-I947 HydrophobicContact CD2-CG2 4.08Å; Y788-I947 HydrophobicContact CE1-CD1 4.04Å; Y788-I947 HydrophobicContact CE2-CD1 3.83Å; Y788-I947 HydrophobicContact CG-CB 3.93Å; Y788-I947 HydrophobicContact CG-CD1 4.05Å; Y788-I947 HydrophobicContact CG-CG2 3.69Å; Y788-Y949 WeakPolarHBondContact CD2-OH 3.4Å
789	N	95.9	Very high	96.4	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	9.8	171.3	65.9	-4.4	0	0	0	113.3	A783 G787 S793 I795 N968	A783-N789 PolarHBondContact O-ND2 2.68Å; G787-N789 PolarHBondContact O-N 3.47Å; G787-N789 VanDerWaalsContact O-N 3.13Å; N789-S793 CarbonylContact C-O 3.59Å; N789-S793 WeakPolarHBondContact CA-O 3.35Å; N789-S793 WeakPolarHBondContact CA-OG 3.46Å; N789-I795 HydrophobicContact CB-CD1 3.84Å; N789-I795 HydrophobicContact CB-CG1 3.94Å; N789-N968 HydrophobicContact CB-CB 4.4Å; N789-N968 WeakPolarHBondContact O-CB 3.26Å
790	Q	93.9	Very high	96.4	Very high	119 Å²	119	40.4 Å²	40.4	56%	0.556	22%	0.218	S	C	*	.			trans	-68.5	154.8	175	-69.5	178.3	-6.9	0	0	112.3	G787 S793	G787-Q790 WeakPolarHBondContact O-CB 3.46Å; G787-Q790 WeakPolarHBondContact O-CG 3.47Å; G787-Q790 PolarHBondContact O-N 2.96Å; Q790-S793 PolarHBondContact N-OG 3.42Å; Q790-S793 PolarHBondContact O-N 2.99Å; Q790-S793 PolarHBondContact O-OG 2.94Å
791	E	90.3	Very high	96.4	Very high	183 Å²	183	40.4 Å²	40.4	86%	0.855	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	64.6	173.5	-65.3	-60.4	150.9	0	0	114.2	S793	E791-S793 PolarHBondContact O-N 3.14Å
792	D	89.4	Confident	96.4	Very high	62 Å²	62	44 Å²	44	33%	0.332	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	26	176.7	-64.6	-13.7	0	0	0	115.5	G943 T944 R975	D792-G943 CarbonylContact O-C 3.58Å; D792-G943 WeakPolarHBondContact O-CA 3.02Å; D792-T944 PolarHBondContact O-N 3.15Å; D792-R975 IonicContact OD1-CZ 3.13Å; D792-R975 IonicContact OD1-NH1 2.67Å; D792-R975 PolarHBondContact OD1-NH1 3.47Å; D792-R975 IonicContact OD1-NH2 3.22Å; D792-R975 PolarHBondContact OD1-NH2 3.33Å; D792-R975 IonicContact OD2-CZ 2.69Å; D792-R975 IonicContact OD2-NH1 2.82Å; D792-R975 IonicContact OD2-NH2 2.66Å; D792-R975 PolarHBondContact OD2-NH2 3.48Å
793	S	95.6	Very high	96.4	Very high	20 Å²	20	51.4 Å²	51.4	14%	0.14	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	158.3	167.4	62.5	0	0	0	0	112	Y788 N789 Q790 E791 T944	Y788-S793 PolarHBondContact O-OG 3.4Å; N789-S793 CarbonylContact C-O 3.59Å; N789-S793 WeakPolarHBondContact CA-O 3.35Å; N789-S793 WeakPolarHBondContact CA-OG 3.46Å; Q790-S793 PolarHBondContact N-OG 3.42Å; Q790-S793 PolarHBondContact O-N 2.99Å; Q790-S793 PolarHBondContact O-OG 2.94Å; E791-S793 PolarHBondContact O-N 3.14Å; S793-T944 CarbonylContact C-O 3.58Å; S793-T944 VanDerWaalsContact CA-O 3.22Å; S793-T944 WeakPolarHBondContact CA-O 3.49Å
794	V	97.4	Very high	96.4	Very high	10 Å²	10	51.2 Å²	51.2	6%	0.061	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.3	177	-57.4	0	0	0	0	110.4	T944 G946 I965 I967	V794-T944 PolarHBondContact N-O 3.44Å; V794-G946 PolarHBondContact O-N 3.23Å; V794-I965 HydrophobicContact CB-CG2 3.93Å; V794-I965 HydrophobicContact CG1-CG2 4.32Å; V794-I965 HydrophobicContact CG2-CG2 4.36Å; V794-I967 HydrophobicContact CG1-CG2 3.83Å
795	I	98.4	Very high	96.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.3	168.9	-67.9	156.3	0	0	0	107.4	Y785 N789 I947 Y949 M954 I965 I966	Y785-I795 HydrophobicContact CD1-CD1 4.29Å; Y785-I795 WeakPolarHBondContact O-CD1 3.21Å; N789-I795 HydrophobicContact CB-CD1 3.84Å; N789-I795 HydrophobicContact CB-CG1 3.94Å; I795-I947 HydrophobicContact CB-CG2 4.36Å; I795-I947 HydrophobicContact CG1-CG2 3.73Å; I795-I947 HydrophobicContact CG2-CG2 4.18Å; I795-Y949 HydrophobicContact CG2-CD2 3.6Å; I795-Y949 HydrophobicContact CG2-CE2 4.11Å; I795-M954 HydrophobicContact CG2-SD 4.11Å; I795-I965 CarbonylContact O-C 3.57Å; I795-I965 WeakPolarHBondContact O-CA 3.45Å; I795-I966 HydrophobicContact CB-CB 4.18Å; I795-I966 HydrophobicContact CG2-CD1 4.39Å; I795-I966 PolarHBondContact N-O 3.19Å; I795-I966 VanDerWaalsContact N-O 3.13Å; I795-I966 PolarHBondContact O-N 2.85Å
796	M	98.3	Very high	96.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.7	-178.3	-169.2	174.1	-65.3	0	0	111.6	R798 V801 F805 P929 F935 I947 Q948 Y949 D964 I965	M796-R798 PolarHBondContact O-N 3.25Å; M796-V801 HydrophobicContact CG-CG2 4.1Å; M796-V801 HydrophobicContact SD-CG2 3.71Å; M796-F805 HydrophobicContact CG-CD1 4.48Å; M796-F805 HydrophobicContact CG-CE1 4.22Å; M796-F805 HydrophobicContact SD-CD1 4.21Å; M796-F805 HydrophobicContact SD-CE1 4.1Å; M796-P929 HydrophobicContact SD-CB 4.23Å; M796-F935 HydrophobicContact CE-CD1 4.23Å; M796-F935 HydrophobicContact CE-CD2 3.78Å; M796-F935 HydrophobicContact CE-CE1 4.02Å; M796-F935 HydrophobicContact CE-CE2 3.58Å; M796-F935 HydrophobicContact CE-CG 4.13Å; M796-F935 HydrophobicContact CE-CZ 3.72Å; M796-F935 HydrophobicContact SD-CZ 4.42Å; M796-I947 PolarHBondContact N-O 3.09Å; M796-Q948 HydrophobicContact CB-CG 4.37Å; M796-Q948 WeakPolarHBondContact O-CA 3.46Å; M796-Y949 PolarHBondContact O-N 3.14Å; M796-Y949 VanDerWaalsContact O-N 3.08Å; M796-D964 CarbonylContact C-O 3.51Å; M796-D964 WeakPolarHBondContact CA-O 3.34Å; M796-I965 HydrophobicContact CE-CD1 4.33Å; M796-I965 HydrophobicContact CE-CG1 4.44Å
797	N	98.4	Very high	96.6	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.011	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	112.7	176.6	-168.9	-27.9	0	0	0	110.8	S799 A800 V801 Y949 M954 T962 P963 D964	N797-S799 VanDerWaalsContact C-N 3.34Å; N797-S799 PolarHBondContact O-N 2.85Å; N797-S799 WeakPolarHBondContact OD1-CB 3.49Å; N797-S799 PolarHBondContact OD1-N 3.28Å; N797-A800 HydrophobicContact CB-CB 3.99Å; N797-A800 PolarHBondContact O-N 3.02Å; N797-A800 PolarHBondContact OD1-N 3.49Å; N797-V801 WeakPolarHBondContact O-CG2 3.43Å; N797-V801 PolarHBondContact O-N 3.06Å; N797-Y949 CarbonylContact C-O 3.42Å; N797-M954 HydrophobicContact CB-CE 4.16Å; N797-T962 PolarHBondContact ND2-OG1 3.42Å; N797-P963 PolarHBondContact ND2-O 3.01Å; N797-D964 PolarHBondContact N-O 2.79Å
798	R	98.3	Very high	96.7	Very high	78 Å²	78	46.3 Å²	46.3	29%	0.294	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-41.5	178.9	-178.8	63.4	-157.7	-170.2	0.3	111.8	M796 A800 V801 D802 Q948 Y949 R950	M796-R798 PolarHBondContact O-N 3.25Å; R798-A800 VanDerWaalsContact C-N 3.28Å; R798-A800 PolarHBondContact O-N 2.91Å; R798-V801 WeakPolarHBondContact O-CB 3.04Å; R798-V801 PolarHBondContact O-N 3.4Å; R798-V801 VanDerWaalsContact O-N 3.12Å; R798-D802 IonicContact CZ-OD1 2.67Å; R798-D802 VanDerWaalsContact CZ-OD1 3.28Å; R798-D802 IonicContact NE-OD1 3.77Å; R798-D802 PolarHBondContact NE-OD1 2.82Å; R798-D802 IonicContact NE-OD2 3.06Å; R798-D802 PolarHBondContact NE-OD2 2.75Å; R798-D802 IonicContact NH2-OD1 2.68Å; R798-D802 PolarHBondContact NH2-OD1 3.15Å; R798-D802 PolarHBondContact O-N 2.82Å; R798-Q948 HydrophobicContact CB-CB 4Å; R798-Y949 WeakPolarHBondContact CB-O 3.36Å; R798-Y949 PolarHBondContact N-O 3.16Å; R798-R950 HydrophobicContact CB-CG 4.09Å; R798-R950 HydrophobicContact CG-CG 4.1Å
799	S	98.1	Very high	96.7	Very high	19 Å²	19	41 Å²	41	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-34.1	-179.7	-57.1	0	0	0	0	111.6	N797 D802 R803 Q951	N797-S799 VanDerWaalsContact C-N 3.34Å; N797-S799 PolarHBondContact O-N 2.85Å; N797-S799 WeakPolarHBondContact OD1-CB 3.49Å; N797-S799 PolarHBondContact OD1-N 3.28Å; S799-D802 PolarHBondContact O-N 2.8Å; S799-R803 VanDerWaalsContact O-CG 3.26Å; S799-R803 WeakPolarHBondContact O-CG 3.34Å; S799-R803 PolarHBondContact O-N 3.11Å; S799-R803 VanDerWaalsContact O-N 3.1Å; S799-Q951 PolarHBondContact OG-N 3.45Å
800	A	98	Very high	96.7	Very high	9 Å²	9	41.2 Å²	41.2	7%	0.074	19%	0.192	C	C	.	.	H	α-helix	trans	-65.9	-44	171.9	0	0	0	0	0	111.5	N797 R798 D802 R803 G804 F805	N797-A800 HydrophobicContact CB-CB 3.99Å; N797-A800 PolarHBondContact O-N 3.02Å; N797-A800 PolarHBondContact OD1-N 3.49Å; R798-A800 VanDerWaalsContact C-N 3.28Å; R798-A800 PolarHBondContact O-N 2.91Å; A800-D802 VanDerWaalsContact C-N 3.32Å; A800-D802 PolarHBondContact O-N 3.18Å; A800-R803 CarbonylContact O-C 3.58Å; A800-R803 WeakPolarHBondContact O-CB 3.37Å; A800-R803 PolarHBondContact O-N 2.97Å; A800-R803 VanDerWaalsContact O-N 3.16Å; A800-G804 PolarHBondContact O-N 3.36Å; A800-F805 HydrophobicContact CB-CB 3.99Å; A800-F805 HydrophobicContact CB-CD1 4.39Å; A800-F805 HydrophobicContact CB-CG 4.27Å; A800-F805 WeakPolarHBondContact O-CB 3.39Å; A800-F805 PolarHBondContact O-N 2.88Å
801	V	98	Very high	96.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-41.7	175.4	173.2	0	0	0	0	111.8	M796 N797 R798 R803 G804 F805 I928 P929	M796-V801 HydrophobicContact CG-CG2 4.1Å; M796-V801 HydrophobicContact SD-CG2 3.71Å; N797-V801 WeakPolarHBondContact O-CG2 3.43Å; N797-V801 PolarHBondContact O-N 3.06Å; R798-V801 WeakPolarHBondContact O-CB 3.04Å; R798-V801 PolarHBondContact O-N 3.4Å; R798-V801 VanDerWaalsContact O-N 3.12Å; V801-R803 VanDerWaalsContact C-N 3.3Å; V801-R803 PolarHBondContact O-N 3.12Å; V801-G804 PolarHBondContact O-N 3.2Å; V801-F805 HydrophobicContact CG2-CD1 4.25Å; V801-I928 HydrophobicContact CG1-CG2 3.48Å; V801-I928 VanDerWaalsContact CG1-CG2 3.48Å; V801-P929 HydrophobicContact CG1-CB 4.13Å; V801-P929 HydrophobicContact CG1-CG 4.36Å; V801-P929 HydrophobicContact CG2-CB 4.12Å
802	D	97.8	Very high	97.1	Very high	77 Å²	77	29.7 Å²	29.7	41%	0.412	14%	0.136	S	C	.	.	H	α-helix	trans	-64.7	-35.9	177.2	-67.5	-32.1	0	0	0	111.5	R798 S799 A800 G804 R807	R798-D802 IonicContact CZ-OD1 2.67Å; R798-D802 VanDerWaalsContact CZ-OD1 3.28Å; R798-D802 IonicContact NE-OD1 3.77Å; R798-D802 PolarHBondContact NE-OD1 2.82Å; R798-D802 IonicContact NE-OD2 3.06Å; R798-D802 PolarHBondContact NE-OD2 2.75Å; R798-D802 IonicContact NH2-OD1 2.68Å; R798-D802 PolarHBondContact NH2-OD1 3.15Å; R798-D802 PolarHBondContact O-N 2.82Å; S799-D802 PolarHBondContact O-N 2.8Å; A800-D802 VanDerWaalsContact C-N 3.32Å; A800-D802 PolarHBondContact O-N 3.18Å; D802-G804 PolarHBondContact O-N 3.36Å; D802-R807 PolarHBondContact O-NH2 3.44Å
803	R	97.8	Very high	97.3	Very high	174 Å²	174	27.5 Å²	27.5	66%	0.657	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-4.6	171.9	-68.6	170	-173.3	156	8	114.2	S799 A800 V801	S799-R803 VanDerWaalsContact O-CG 3.26Å; S799-R803 WeakPolarHBondContact O-CG 3.34Å; S799-R803 PolarHBondContact O-N 3.11Å; S799-R803 VanDerWaalsContact O-N 3.1Å; A800-R803 CarbonylContact O-C 3.58Å; A800-R803 WeakPolarHBondContact O-CB 3.37Å; A800-R803 PolarHBondContact O-N 2.97Å; A800-R803 VanDerWaalsContact O-N 3.16Å; V801-R803 VanDerWaalsContact C-N 3.3Å; V801-R803 PolarHBondContact O-N 3.12Å
804	G	96.9	Very high	97.3	Very high	6 Å²	6	27.7 Å²	27.7	6%	0.062	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.9	8.6	175.3	0	0	0	0	0	115.4	A800 V801 D802 F806 R807	A800-G804 PolarHBondContact O-N 3.36Å; V801-G804 PolarHBondContact O-N 3.2Å; D802-G804 PolarHBondContact O-N 3.36Å; G804-F806 PolarHBondContact O-N 3.31Å; G804-R807 PolarHBondContact O-N 3.46Å
805	F	98.1	Very high	97.2	Very high	21 Å²	21	32.8 Å²	32.8	9%	0.092	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	125.5	174.8	-176.8	-119.5	0	0	0	110.9	I776 S778 M796 A800 V801 R807 P929 D964 I965	I776-F805 HydrophobicContact CB-CE2 4.34Å; I776-F805 HydrophobicContact CD1-CD2 4.32Å; I776-F805 HydrophobicContact CG2-CD2 4.08Å; I776-F805 HydrophobicContact CG2-CE2 3.83Å; S778-F805 WeakPolarHBondContact OG-CE2 3.3Å; S778-F805 VanDerWaalsContact OG-CZ 3.26Å; S778-F805 WeakPolarHBondContact OG-CZ 3.4Å; M796-F805 HydrophobicContact CG-CD1 4.48Å; M796-F805 HydrophobicContact CG-CE1 4.22Å; M796-F805 HydrophobicContact SD-CD1 4.21Å; M796-F805 HydrophobicContact SD-CE1 4.1Å; A800-F805 HydrophobicContact CB-CB 3.99Å; A800-F805 HydrophobicContact CB-CD1 4.39Å; A800-F805 HydrophobicContact CB-CG 4.27Å; A800-F805 WeakPolarHBondContact O-CB 3.39Å; A800-F805 PolarHBondContact O-N 2.88Å; V801-F805 HydrophobicContact CG2-CD1 4.25Å; F805-R807 PolarHBondContact O-N 3.15Å; F805-P929 WeakPolarHBondContact O-CG 3.2Å; F805-D964 HydrophobicContact CE1-CB 4.18Å; F805-D964 HydrophobicContact CE2-CB 4.4Å; F805-D964 HydrophobicContact CZ-CB 3.89Å; F805-I965 HydrophobicContact CE1-CD1 4.33Å; F805-I965 HydrophobicContact CE1-CG1 4.27Å; F805-I965 HydrophobicContact CZ-CD1 4.19Å; F805-I965 HydrophobicContact CZ-CG1 4.33Å
806	F	98.2	Very high	97	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	16.8	-177.8	-77.2	-59.8	0	0	0	116.7	L751 I776 G804 S808 P929 F935 Y1048 R1050	L751-F806 HydrophobicContact CD2-CD1 4.29Å; I776-F806 HydrophobicContact CB-CD1 4.37Å; I776-F806 HydrophobicContact CB-CE1 3.74Å; I776-F806 HydrophobicContact CB-CE2 4.28Å; I776-F806 HydrophobicContact CB-CZ 3.67Å; I776-F806 HydrophobicContact CD1-CB 4.47Å; I776-F806 HydrophobicContact CD1-CD1 3.67Å; I776-F806 HydrophobicContact CD1-CE1 3.94Å; I776-F806 HydrophobicContact CD1-CG 3.96Å; I776-F806 HydrophobicContact CD1-CZ 4.45Å; I776-F806 HydrophobicContact CG1-CD1 3.91Å; I776-F806 HydrophobicContact CG1-CE1 3.65Å; I776-F806 HydrophobicContact CG1-CZ 4.12Å; G804-F806 PolarHBondContact O-N 3.31Å; F806-S808 PolarHBondContact O-N 2.86Å; F806-P929 HydrophobicContact CB-CG 3.63Å; F806-F935 HydrophobicContact CB-CE1 4.08Å; F806-F935 HydrophobicContact CD2-CD1 4.22Å; F806-F935 AromaticContact CD2-CE1 3.89Å; F806-F935 HydrophobicContact CD2-CE1 3.89Å; F806-F935 HydrophobicContact CE2-CD1 4.39Å; F806-F935 HydrophobicContact CE2-CE1 4.49Å; F806-F935 AromaticContact CG-CE1 3.95Å; F806-F935 HydrophobicContact CG-CE1 3.95Å; F806-Y1048 WeakPolarHBondContact CE1-O 3.45Å; F806-Y1048 VanDerWaalsContact CZ-O 3.28Å; F806-Y1048 WeakPolarHBondContact CZ-O 3.3Å; F806-R1050 HydrophobicContact CD1-CB 3.77Å; F806-R1050 HydrophobicContact CE1-CB 4.27Å; F806-R1050 HydrophobicContact CG-CB 4.3Å; F806-R1050 WeakPolarHBondContact O-CD 3.44Å; F806-R1050 PolarHBondContact O-NH1 3.29Å
807	R	98.1	Very high	96.8	Very high	67 Å²	67	37.8 Å²	37.8	25%	0.253	17%	0.168	S	C	.	.			trans	-63.1	136.9	174.5	-163.8	178.6	-78.5	-178.3	0.2	109.4	Y752 D802 G804 F805 V926 I928	Y752-R807 WeakPolarHBondContact CB-O 3.35Å; Y752-R807 HydrophobicContact CD1-CB 4.38Å; Y752-R807 HydrophobicContact CD1-CG 4.35Å; Y752-R807 WeakPolarHBondContact CD1-O 3.49Å; Y752-R807 HydrophobicContact CD2-CB 4.44Å; Y752-R807 HydrophobicContact CD2-CG 4.41Å; Y752-R807 HydrophobicContact CE1-CG 4.27Å; Y752-R807 HydrophobicContact CE2-CG 4.33Å; Y752-R807 HydrophobicContact CG-CB 4.21Å; Y752-R807 HydrophobicContact CG-CG 4.43Å; Y752-R807 PolarHBondContact N-O 2.76Å; D802-R807 PolarHBondContact O-NH2 3.44Å; G804-R807 PolarHBondContact O-N 3.46Å; F805-R807 PolarHBondContact O-N 3.15Å; R807-V926 HydrophobicContact CG-CG1 3.77Å; R807-I928 HydrophobicContact CG-CG1 4.37Å
808	S	97.1	Very high	96.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.8	-178.5	64.3	0	0	0	0	111.5	M733 V750 F806 R927 R1050	M733-S808 WeakPolarHBondContact CE-OG 3.45Å; V750-S808 CarbonylContact O-C 3.51Å; V750-S808 WeakPolarHBondContact O-CA 3.5Å; V750-S808 VanDerWaalsContact O-CB 3.3Å; V750-S808 WeakPolarHBondContact O-CB 3.46Å; F806-S808 PolarHBondContact O-N 2.86Å; S808-R927 PolarHBondContact N-O 3.05Å; S808-R927 VanDerWaalsContact N-O 3.11Å; S808-R927 PolarHBondContact O-N 3.22Å; S808-R927 PolarHBondContact OG-O 2.9Å; S808-R1050 PolarHBondContact OG-NH1 3.05Å
809	V	96.9	Very high	96	Very high	13 Å²	13	36.2 Å²	36.2	8%	0.079	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.6	168.5	58.7	0	0	0	0	108.6	H749 V750 Y752 Y811 R924	H749-V809 WeakPolarHBondContact CA-O 3.47Å; V750-V809 HydrophobicContact CB-CG1 3.88Å; V750-V809 PolarHBondContact N-O 2.87Å; V750-V809 PolarHBondContact O-N 3.07Å; Y752-V809 HydrophobicContact CE1-CB 3.95Å; Y752-V809 HydrophobicContact CE1-CG1 4.41Å; V809-Y811 HydrophobicContact CB-CE2 4.18Å; V809-Y811 HydrophobicContact CG1-CD2 4.27Å; V809-Y811 HydrophobicContact CG1-CE2 3.44Å; V809-Y811 VanDerWaalsContact CG1-CE2 3.44Å; V809-Y811 HydrophobicContact CG2-CD2 4.22Å; V809-Y811 HydrophobicContact CG2-CE1 4.07Å; V809-Y811 HydrophobicContact CG2-CE2 3.69Å; V809-R924 HydrophobicContact CG2-CB 4.14Å
810	F	96.4	Very high	95.3	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.022	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.7	174.5	174.6	-112.3	0	0	0	108.7	L747 A748 H749 R812 R924 S925 R927	L747-F810 HydrophobicContact CD1-CE2 3.95Å; L747-F810 HydrophobicContact CD1-CZ 4.25Å; L747-F810 HydrophobicContact CD2-CE2 4.23Å; L747-F810 HydrophobicContact CG-CE2 3.67Å; L747-F810 HydrophobicContact CG-CZ 4.24Å; A748-F810 WeakPolarHBondContact O-CA 3.28Å; H749-F810 AromaticContact CE1-CD2 3.18Å; H749-F810 WeakPolarHBondContact CE1-CD2 3.06Å; H749-F810 AromaticContact CE1-CE2 3.63Å; H749-F810 AromaticContact ND1-CD2 3.6Å; H749-F810 AromaticContact NE2-CD2 3.61Å; H749-F810 AromaticContact NE2-CE2 3.65Å; F810-R812 HydrophobicContact CE1-CB 3.99Å; F810-R812 HydrophobicContact CZ-CB 4.24Å; F810-R924 CarbonylContact O-C 3.59Å; F810-R924 WeakPolarHBondContact O-CA 3.33Å; F810-S925 WeakPolarHBondContact CB-O 3.4Å; F810-S925 PolarHBondContact N-O 2.91Å; F810-S925 PolarHBondContact O-N 2.86Å; F810-R927 HydrophobicContact CB-CG 4.05Å
811	Y	96.3	Very high	94	Very high	33 Å²	33	45 Å²	45	13%	0.129	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.4	172.6	-62	-82.8	0	0	0	109.9	F740 L747 A748 V750 V809 D905 R922 V923 R924	F740-Y811 HydrophobicContact CD2-CE2 4.39Å; F740-Y811 HydrophobicContact CE2-CE2 4.29Å; L747-Y811 WeakPolarHBondContact CA-O 3.4Å; A748-Y811 HydrophobicContact CB-CD2 4.46Å; A748-Y811 PolarHBondContact N-O 2.95Å; A748-Y811 PolarHBondContact O-N 3.17Å; V750-Y811 HydrophobicContact CG2-CE2 4.49Å; V809-Y811 HydrophobicContact CB-CE2 4.18Å; V809-Y811 HydrophobicContact CG1-CD2 4.27Å; V809-Y811 HydrophobicContact CG1-CE2 3.44Å; V809-Y811 VanDerWaalsContact CG1-CE2 3.44Å; V809-Y811 HydrophobicContact CG2-CD2 4.22Å; V809-Y811 HydrophobicContact CG2-CE1 4.07Å; V809-Y811 HydrophobicContact CG2-CE2 3.69Å; Y811-D905 WeakPolarHBondContact CE1-OD2 3.48Å; Y811-R922 HydrophobicContact CD1-CG 4.07Å; Y811-V923 WeakPolarHBondContact CA-O 3.49Å; Y811-R924 HydrophobicContact CD1-CB 3.79Å; Y811-R924 HydrophobicContact CE1-CB 3.67Å
812	R	95.1	Very high	92.8	Very high	27 Å²	27	47.9 Å²	47.9	10%	0.102	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129	168	176.9	164.5	-71.1	-177.7	10.3	110.5	T746 F810 Y814 R897 E900 R922 V923	T746-R812 WeakPolarHBondContact O-CA 3.01Å; F810-R812 HydrophobicContact CE1-CB 3.99Å; F810-R812 HydrophobicContact CZ-CB 4.24Å; R812-Y814 HydrophobicContact CB-CE2 4.46Å; R812-Y814 HydrophobicContact CG-CD2 4.27Å; R812-Y814 HydrophobicContact CG-CE2 3.76Å; R812-R897 VanDerWaalsContact NH1-NE 3.1Å; R812-E900 WeakPolarHBondContact CD-OE2 3.42Å; R812-E900 IonicContact CZ-OE1 3.83Å; R812-E900 IonicContact CZ-OE2 2.84Å; R812-E900 IonicContact NE-OE1 3.8Å; R812-E900 IonicContact NE-OE2 3.4Å; R812-E900 IonicContact NH1-OE1 3Å; R812-E900 PolarHBondContact NH1-OE1 3.14Å; R812-E900 IonicContact NH1-OE2 2.89Å; R812-E900 PolarHBondContact NH1-OE2 3.31Å; R812-E900 IonicContact NH2-OE1 3.3Å; R812-E900 PolarHBondContact NH2-OE1 3.42Å; R812-E900 VanDerWaalsContact NH2-OE1 3.16Å; R812-R922 CarbonylContact O-C 3.51Å; R812-R922 WeakPolarHBondContact O-CA 3.46Å; R812-V923 PolarHBondContact N-O 3.16Å; R812-V923 PolarHBondContact O-N 3.23Å
813	S	95.3	Very high	91.7	Very high	15 Å²	15	53.4 Å²	53.4	11%	0.105	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.9	175.5	-51.8	0	0	0	0	110.5	D745 T746 I921	D745-S813 VanDerWaalsContact O-CB 3.23Å; D745-S813 WeakPolarHBondContact O-CB 3.18Å; D745-S813 PolarHBondContact O-OG 2.88Å; T746-S813 PolarHBondContact O-N 3.5Å; T746-S813 VanDerWaalsContact O-N 3.16Å; S813-I921 CarbonylContact C-O 3.52Å; S813-I921 WeakPolarHBondContact CA-O 3.23Å
814	Y	95.2	Very high	90.8	Very high	25 Å²	25	50.9 Å²	50.9	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	144.7	167.6	-65.5	-92.2	0	0	0	108.5	R812 I866 T894 L896 E900 K920 I921 V923	R812-Y814 HydrophobicContact CB-CE2 4.46Å; R812-Y814 HydrophobicContact CG-CD2 4.27Å; R812-Y814 HydrophobicContact CG-CE2 3.76Å; Y814-I866 HydrophobicContact CD1-CD1 3.81Å; Y814-I866 HydrophobicContact CD2-CD1 3.49Å; Y814-I866 VanDerWaalsContact CD2-CD1 3.49Å; Y814-I866 HydrophobicContact CE1-CD1 4.31Å; Y814-I866 HydrophobicContact CE2-CD1 4.06Å; Y814-I866 HydrophobicContact CG-CD1 3.35Å; Y814-T894 HydrophobicContact CD1-CG2 4.34Å; Y814-L896 HydrophobicContact CE2-CD1 3.57Å; Y814-L896 WeakPolarHBondContact OH-CD1 3.44Å; Y814-E900 PolarHBondContact OH-OE2 2.95Å; Y814-K920 CarbonylContact O-C 3.58Å; Y814-K920 VanDerWaalsContact O-CA 3.27Å; Y814-K920 WeakPolarHBondContact O-CA 3.45Å; Y814-I921 PolarHBondContact N-O 3.24Å; Y814-I921 PolarHBondContact O-N 2.93Å; Y814-V923 HydrophobicContact CD2-CG2 4.34Å; Y814-V923 HydrophobicContact CE2-CG2 4.31Å
815	K	94.8	Very high	90.2	Very high	117 Å²	117	54.2 Å²	54.2	51%	0.509	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.3	178.3	67.2	178	-176.8	174.6	0	109.7	F918 C919 K920	K815-F918 HydrophobicContact CB-CE2 3.97Å; K815-F918 HydrophobicContact CB-CZ 3.76Å; K815-F918 HydrophobicContact CD-CE2 4.44Å; K815-F918 HydrophobicContact CD-CZ 4.16Å; K815-F918 HydrophobicContact CG-CE2 4.5Å; K815-F918 HydrophobicContact CG-CZ 4.46Å; K815-C919 VanDerWaalsContact CA-O 3.31Å; K815-C919 WeakPolarHBondContact CA-O 3.33Å; K815-K920 HydrophobicContact CB-CG 3.96Å
816	E	95	Very high	89.7	Confident	37 Å²	37	56.9 Å²	56.9	17%	0.173	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.1	178.8	-159.9	61.3	-112.2	0	0	109.7	F829 I867 K869 T894 F918 C919	E816-F829 HydrophobicContact CB-CE1 4.14Å; E816-F829 HydrophobicContact CB-CZ 4.12Å; E816-F829 HydrophobicContact CG-CE1 3.81Å; E816-F829 HydrophobicContact CG-CZ 4.17Å; E816-I867 HydrophobicContact CB-CD1 3.66Å; E816-I867 HydrophobicContact CB-CG2 4.08Å; E816-I867 HydrophobicContact CG-CG2 4.11Å; E816-K869 HydrophobicContact CG-CD 3.89Å; E816-K869 IonicContact OE1-NZ 2.85Å; E816-K869 PolarHBondContact OE1-NZ 3.19Å; E816-T894 PolarHBondContact OE2-OG1 3.14Å; E816-F918 WeakPolarHBondContact O-CD2 3.24Å; E816-F918 WeakPolarHBondContact O-CE2 3.34Å; E816-C919 PolarHBondContact N-O 3.03Å; E816-C919 PolarHBondContact O-N 3.3Å
817	Q	93.3	Very high	89.5	Confident	68 Å²	68	57.2 Å²	57.2	32%	0.318	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.7	179.2	67.5	178.8	29.3	0	0	111.4	S819 F918	Q817-S819 WeakPolarHBondContact CG-OG 3.33Å; Q817-S819 PolarHBondContact NE2-OG 2.73Å; Q817-S819 PolarHBondContact O-N 2.9Å; Q817-F918 HydrophobicContact CB-CD2 3.9Å
818	E	91.8	Very high	89.3	Confident	32 Å²	32	55.6 Å²	55.6	15%	0.15	27%	0.274	C	S	.	.			trans	-86.6	90.1	175.6	-167.1	175.7	-171	0	0	109.1	E827 V828 F829 Y916 K917	E818-E827 WeakPolarHBondContact CG-O 3.25Å; E818-V828 WeakPolarHBondContact OE1-CA 2.96Å; E818-F829 HydrophobicContact CB-CD2 4.46Å; E818-F829 HydrophobicContact CB-CE2 4.16Å; E818-F829 HydrophobicContact CB-CZ 4.41Å; E818-Y916 VanDerWaalsContact O-CB 3.25Å; E818-Y916 WeakPolarHBondContact O-CB 3.49Å; E818-Y916 VanDerWaalsContact O-CD1 3.31Å; E818-Y916 WeakPolarHBondContact O-CD1 3.33Å; E818-K917 HydrophobicContact CB-CB 3.97Å; E818-K917 WeakPolarHBondContact CB-O 3.33Å; E818-K917 PolarHBondContact N-O 3.1Å; E818-K917 WeakPolarHBondContact OE2-CB 3.4Å; E818-K917 IonicContact OE2-NZ 3.74Å
819	S	87.8	Confident	89.2	Confident	14 Å²	14	56.2 Å²	56.2	10%	0.098	28%	0.277	C	S	.	.			trans	-92.7	134.7	-176.3	-60	0	0	0	0	112.4	Q817 K821 E827	Q817-S819 WeakPolarHBondContact CG-OG 3.33Å; Q817-S819 PolarHBondContact NE2-OG 2.73Å; Q817-S819 PolarHBondContact O-N 2.9Å; S819-K821 PolarHBondContact O-N 3.08Å; S819-E827 WeakPolarHBondContact O-CB 3.41Å; S819-E827 WeakPolarHBondContact O-CG 3.05Å; S819-E827 PolarHBondContact O-N 3.16Å; S819-E827 VanDerWaalsContact O-N 3.09Å
820	K	82.9	Confident	89.1	Confident	95 Å²	95	57.8 Å²	57.8	41%	0.413	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-86.2	102.3	164.8	-159.9	158.9	-165.7	132.5	0	109.5	G822 E826 Y916	K820-G822 PolarHBondContact O-N 2.96Å; K820-E826 IonicContact NZ-OE1 2.72Å; K820-E826 PolarHBondContact NZ-OE1 2.85Å; K820-E826 IonicContact NZ-OE2 3.26Å; K820-Y916 HydrophobicContact CB-CE1 4Å
821	K	72.4	Confident	89	Confident	119 Å²	119	60.9 Å²	60.9	52%	0.517	30%	0.297	S	S	.	.			trans	-96.8	82.7	-175.6	-77.1	-178.8	176.8	159.2	0	110.2	S819 Q825 E827	S819-K821 PolarHBondContact O-N 3.08Å; K821-Q825 PolarHBondContact N-O 2.69Å; K821-Q825 WeakPolarHBondContact O-CB 3.37Å; K821-E827 VanDerWaalsContact CE-OE1 3.27Å; K821-E827 WeakPolarHBondContact CE-OE1 3.5Å; K821-E827 IonicContact NZ-OE1 2.76Å; K821-E827 PolarHBondContact NZ-OE1 2.57Å
822	G	72.7	Confident	88.9	Confident	59 Å²	59	59.6 Å²	59.6	61%	0.608	29%	0.293	S	S	*	.	S	Bend	trans	96.3	-160.8	-177.6	0	0	0	0	0	112.1	K820	K820-G822 PolarHBondContact O-N 2.96Å
823	F	73.9	Confident	88.7	Confident	194 Å²	194	61.1 Å²	61.1	85%	0.851	31%	0.305	S	S	*	.	S	Bend	trans	-77	-51	-176.7	-113.6	-94.5	0	0	0	112.1
824	D	78	Confident	88.3	Confident	120 Å²	120	68.6 Å²	68.6	64%	0.642	33%	0.331	S	S	*	.	S	Bend	trans	-107.8	-12.1	-170.9	-62	-28.3	0	0	0	115.6	E826 T872	D824-E826 PolarHBondContact O-N 3.19Å; D824-T872 PolarHBondContact O-OG1 3.28Å
825	Q	84.1	Confident	87.9	Confident	77 Å²	77	75.1 Å²	75.1	36%	0.36	36%	0.363	S	S	.	.			trans	-92.8	106.9	178.2	-59.9	179.9	4.1	0	0	110.2	K821 V871 T872	K821-Q825 PolarHBondContact N-O 2.69Å; K821-Q825 WeakPolarHBondContact O-CB 3.37Å; Q825-V871 HydrophobicContact CB-CG2 4.35Å; Q825-T872 WeakPolarHBondContact CA-OG1 3.27Å
826	E	89.2	Confident	87.5	Confident	77 Å²	77	72 Å²	72	36%	0.36	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-110.6	125.5	177.4	-168.5	154.6	-126.6	0	0	108.4	K820 D824 V828 V871 T872	K820-E826 IonicContact NZ-OE1 2.72Å; K820-E826 PolarHBondContact NZ-OE1 2.85Å; K820-E826 IonicContact NZ-OE2 3.26Å; D824-E826 PolarHBondContact O-N 3.19Å; E826-V828 HydrophobicContact CG-CG2 4Å; E826-V871 WeakPolarHBondContact O-CA 3.37Å; E826-T872 PolarHBondContact N-OG1 2.78Å; E826-T872 PolarHBondContact O-N 3.22Å; E826-T872 PolarHBondContact O-OG1 2.82Å
827	E	92.3	Very high	87.2	Confident	8 Å²	8	70.5 Å²	70.5	4%	0.037	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	138.7	164.3	-61.9	-177.1	176.3	0	0	107.9	E818 S819 K821 K869 T870 V871	E818-E827 WeakPolarHBondContact CG-O 3.25Å; S819-E827 WeakPolarHBondContact O-CB 3.41Å; S819-E827 WeakPolarHBondContact O-CG 3.05Å; S819-E827 PolarHBondContact O-N 3.16Å; S819-E827 VanDerWaalsContact O-N 3.09Å; K821-E827 VanDerWaalsContact CE-OE1 3.27Å; K821-E827 WeakPolarHBondContact CE-OE1 3.5Å; K821-E827 IonicContact NZ-OE1 2.76Å; K821-E827 PolarHBondContact NZ-OE1 2.57Å; E827-K869 HydrophobicContact CB-CD 4.26Å; E827-K869 HydrophobicContact CB-CG 4.4Å; E827-K869 WeakPolarHBondContact OE2-CE 3.29Å; E827-K869 IonicContact OE2-NZ 2.86Å; E827-K869 PolarHBondContact OE2-NZ 2.98Å; E827-T870 CarbonylContact C-O 3.57Å; E827-T870 WeakPolarHBondContact CA-O 3.39Å; E827-V871 HydrophobicContact CG-CB 4.19Å; E827-V871 HydrophobicContact CG-CG2 4.11Å
828	V	94.1	Very high	86.9	Confident	32 Å²	32	69.5 Å²	69.5	19%	0.194	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141	179.1	-179.1	0	0	0	0	109.8	E818 E826 E830 K869 T870	E818-V828 WeakPolarHBondContact OE1-CA 2.96Å; E826-V828 HydrophobicContact CG-CG2 4Å; V828-E830 HydrophobicContact CG1-CB 4.39Å; V828-E830 HydrophobicContact CG1-CG 4.37Å; V828-K869 WeakPolarHBondContact O-CA 3.43Å; V828-T870 PolarHBondContact N-O 3.32Å; V828-T870 PolarHBondContact O-N 3.28Å
829	F	96	Very high	86.6	Confident	13 Å²	13	70.5 Å²	70.5	6%	0.057	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113	165.8	-62.2	-39.4	0	0	0	109.5	E816 E818 D851 I867 K869 K917 C919	E816-F829 HydrophobicContact CB-CE1 4.14Å; E816-F829 HydrophobicContact CB-CZ 4.12Å; E816-F829 HydrophobicContact CG-CE1 3.81Å; E816-F829 HydrophobicContact CG-CZ 4.17Å; E818-F829 HydrophobicContact CB-CD2 4.46Å; E818-F829 HydrophobicContact CB-CE2 4.16Å; E818-F829 HydrophobicContact CB-CZ 4.41Å; F829-D851 CarbonylContact C-O 3.56Å; F829-D851 VanDerWaalsContact C-O 3.31Å; F829-I867 HydrophobicContact CD1-CG2 4Å; F829-I867 HydrophobicContact CE1-CG2 3.81Å; F829-K869 HydrophobicContact CD1-CB 4.22Å; F829-K869 HydrophobicContact CD1-CD 4.34Å; F829-K869 HydrophobicContact CD1-CG 4.07Å; F829-K869 HydrophobicContact CE1-CB 4.39Å; F829-K869 HydrophobicContact CE1-CD 3.87Å; F829-K869 HydrophobicContact CE1-CG 4.11Å; F829-K917 HydrophobicContact CD2-CD 3.78Å; F829-K917 HydrophobicContact CD2-CG 4.19Å; F829-K917 HydrophobicContact CE2-CB 4.41Å; F829-K917 HydrophobicContact CE2-CD 4.34Å; F829-K917 HydrophobicContact CE2-CG 4.24Å; F829-C919 HydrophobicContact CE2-CB 4.4Å
830	E	94.5	Very high	86.6	Confident	46 Å²	46	71.6 Å²	71.6	22%	0.215	37%	0.37	C	S	.	.	S	Bend	trans	-161.2	164.1	178.7	61	176.7	-173.2	0	0	108.7	V828 P832 G852 G868 T870 K889	V828-E830 HydrophobicContact CG1-CB 4.39Å; V828-E830 HydrophobicContact CG1-CG 4.37Å; E830-P832 WeakPolarHBondContact O-CD 3.32Å; E830-G852 VanDerWaalsContact C-CA 3.42Å; E830-G868 PolarHBondContact N-O 3.3Å; E830-G868 CarbonylContact O-C 3.43Å; E830-T870 HydrophobicContact CG-CG2 3.93Å; E830-T870 WeakPolarHBondContact CG-OG1 3.19Å; E830-T870 WeakPolarHBondContact OE1-CB 3.3Å; E830-T870 WeakPolarHBondContact OE1-CG2 3.47Å; E830-T870 PolarHBondContact OE1-OG1 3.26Å; E830-K889 WeakPolarHBondContact OE1-CD 3.28Å; E830-K889 WeakPolarHBondContact OE1-CE 3.16Å; E830-K889 IonicContact OE1-NZ 3.6Å; E830-K889 PolarHBondContact OE1-NZ 3.3Å; E830-K889 IonicContact OE2-NZ 3.84Å; E830-K889 PolarHBondContact OE2-NZ 3.03Å
831	K	95	Very high	86.8	Confident	71 Å²	71	74.4 Å²	74.4	31%	0.309	38%	0.378	S	S	.	.			trans	-72.7	113.2	175.5	-170	166.4	-174.5	158.1	0	111.1	T833 L848	K831-T833 PolarHBondContact O-N 2.9Å; K831-L848 PolarHBondContact NZ-O 3.47Å
832	P	93.3	Very high	87.4	Confident	5 Å²	5	77.7 Å²	77.7	3%	0.032	40%	0.395	C	S	.	.			trans	-71.1	131.9	-179.8	-14.9	30.8	0	0	0	111	E830 C837 M840 Y845 T870	E830-P832 WeakPolarHBondContact O-CD 3.32Å; P832-C837 HydrophobicContact CB-CB 4.46Å; P832-M840 HydrophobicContact CB-CE 4.14Å; P832-M840 HydrophobicContact CB-SD 4.38Å; P832-M840 WeakPolarHBondContact O-CE 3.41Å; P832-Y845 HydrophobicContact CB-CD1 4.3Å; P832-Y845 HydrophobicContact CB-CE1 4.37Å; P832-Y845 HydrophobicContact CG-CD1 4Å; P832-Y845 HydrophobicContact CG-CE1 4.14Å; P832-T870 HydrophobicContact CB-CG2 3.96Å; P832-T870 HydrophobicContact CG-CG2 3.97Å
833	T	90.7	Very high	88.1	Confident	60 Å²	60	75.5 Å²	75.5	37%	0.368	37%	0.371	S	S	.	.			trans	-113.7	143.6	176	63	0	0	0	0	111.7	K831 E835 T836 C837	K831-T833 PolarHBondContact O-N 2.9Å; T833-E835 PolarHBondContact O-N 2.74Å; T833-E835 VanDerWaalsContact O-N 3.07Å; T833-T836 PolarHBondContact O-N 3.01Å; T833-T836 VanDerWaalsContact O-N 3.13Å; T833-T836 PolarHBondContact O-OG1 3.21Å; T833-T836 WeakPolarHBondContact OG1-CG2 3.15Å; T833-T836 PolarHBondContact OG1-OG1 2.85Å; T833-C837 WeakPolarHBondContact O-CB 3.31Å; T833-C837 PolarHBondContact O-N 3.1Å
834	R	87.3	Confident	88.9	Confident	171 Å²	171	70 Å²	70	65%	0.645	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-13	-177.5	-69.4	-176.6	-179.2	-178	3.5	113.8	M840 Y887	R834-M840 WeakPolarHBondContact CA-SD 3.3Å; R834-M840 HydrophobicContact CB-SD 4.09Å; R834-M840 HydrophobicContact CG-CE 4.03Å; R834-M840 HydrophobicContact CG-SD 3.51Å; R834-M840 VanDerWaalsContact CG-SD 3.51Å; R834-M840 PolarHBondContact N-SD 2.85Å; R834-Y887 WeakPolarHBondContact O-CE1 3.39Å
835	E	87.3	Confident	89.7	Confident	162 Å²	162	64.8 Å²	64.8	76%	0.757	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-37	177.4	-67.2	163.3	-171.5	0	0	111.2	T833	T833-E835 PolarHBondContact O-N 2.74Å; T833-E835 VanDerWaalsContact O-N 3.07Å
836	T	86.1	Confident	90.1	Very high	53 Å²	53	67.5 Å²	67.5	33%	0.325	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-30.2	-171.8	61.4	0	0	0	0	113	T833 Y887 T888 K889	T833-T836 PolarHBondContact O-N 3.01Å; T833-T836 VanDerWaalsContact O-N 3.13Å; T833-T836 PolarHBondContact O-OG1 3.21Å; T833-T836 WeakPolarHBondContact OG1-CG2 3.15Å; T833-T836 PolarHBondContact OG1-OG1 2.85Å; T836-Y887 WeakPolarHBondContact O-CA 3.23Å; T836-T888 PolarHBondContact O-N 3.09Å; T836-K889 PolarHBondContact O-N 3.11Å
837	C	87.6	Confident	90.4	Very high	4 Å²	4	67 Å²	67	3%	0.027	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.2	-169.6	-65	0	0	0	0	112.6	P832 T833 M840 T870 K889	P832-C837 HydrophobicContact CB-CB 4.46Å; T833-C837 WeakPolarHBondContact O-CB 3.31Å; T833-C837 PolarHBondContact O-N 3.1Å; C837-M840 HydrophobicContact CB-CG 4.14Å; C837-M840 HydrophobicContact CB-SD 4.3Å; C837-T870 VanDerWaalsContact SG-CG2 3.57Å; C837-K889 CarbonylContact C-O 3.55Å; C837-K889 WeakPolarHBondContact CA-O 3.4Å
838	S	88.6	Confident	90.6	Very high	47 Å²	47	66.7 Å²	66.7	33%	0.329	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	143.3	169.1	-177	0	0	0	0	111.3	K889 R890 D891	S838-K889 PolarHBondContact N-O 3.15Å; S838-R890 CarbonylContact O-C 3.5Å; S838-R890 WeakPolarHBondContact O-CA 3.11Å; S838-D891 PolarHBondContact O-N 3.5Å
839	G	85.3	Confident	90.6	Very high	53 Å²	53	69 Å²	69	55%	0.546	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	11.4	171.3	0	0	0	0	0	116.1	R841	G839-R841 PolarHBondContact O-N 3.29Å
840	M	88.1	Confident	90.5	Very high	38 Å²	38	75.2 Å²	75.2	19%	0.187	38%	0.379	C	S	.	.			trans	-57.1	129	173.8	-70.1	-174	74.9	0	0	111.4	P832 R834 C837 Y845 D891	P832-M840 HydrophobicContact CB-CE 4.14Å; P832-M840 HydrophobicContact CB-SD 4.38Å; P832-M840 WeakPolarHBondContact O-CE 3.41Å; R834-M840 WeakPolarHBondContact CA-SD 3.3Å; R834-M840 HydrophobicContact CB-SD 4.09Å; R834-M840 HydrophobicContact CG-CE 4.03Å; R834-M840 HydrophobicContact CG-SD 3.51Å; R834-M840 VanDerWaalsContact CG-SD 3.51Å; R834-M840 PolarHBondContact N-SD 2.85Å; C837-M840 HydrophobicContact CB-CG 4.14Å; C837-M840 HydrophobicContact CB-SD 4.3Å; M840-Y845 HydrophobicContact CE-CD1 3.87Å; M840-Y845 HydrophobicContact CE-CD2 3.55Å; M840-Y845 HydrophobicContact CE-CE1 3.94Å; M840-Y845 HydrophobicContact CE-CE2 3.66Å; M840-Y845 HydrophobicContact CE-CG 3.69Å; M840-D891 HydrophobicContact CG-CB 4.16Å
841	R	85.3	Confident	90.5	Very high	154 Å²	154	76.9 Å²	76.9	58%	0.581	39%	0.389	S	S	*	.			trans	-75.3	165.4	176.2	-59	-171.8	-172.4	172.6	2.5	112.2	G839 A843 Y845 F895	G839-R841 PolarHBondContact O-N 3.29Å; R841-A843 HydrophobicContact CB-CB 4.46Å; R841-A843 PolarHBondContact O-N 2.96Å; R841-Y845 PolarHBondContact N-OH 2.73Å; R841-Y845 VanDerWaalsContact N-OH 3.1Å; R841-Y845 WeakPolarHBondContact O-CE2 3.42Å; R841-F895 HydrophobicContact CB-CE1 4.24Å; R841-F895 HydrophobicContact CB-CZ 4.07Å; R841-F895 HydrophobicContact CG-CE2 4.32Å; R841-F895 HydrophobicContact CG-CZ 3.88Å
842	H	85.8	Confident	90.4	Very high	187 Å²	187	73.5 Å²	73.5	87%	0.866	38%	0.375	S	S	*	.	S	Bend	trans	-72.3	40.5	171.3	-61.8	-67.8	0	0	0	113.3
843	A	86.8	Confident	90.6	Very high	13 Å²	13	73.6 Å²	73.6	11%	0.107	37%	0.374	C	S	.	.	S	Bend	trans	-103.9	164.8	178.8	0	0	0	0	0	110.3	R841 Y845 E863 V865 F895	R841-A843 HydrophobicContact CB-CB 4.46Å; R841-A843 PolarHBondContact O-N 2.96Å; A843-Y845 HydrophobicContact CB-CE2 4.11Å; A843-Y845 WeakPolarHBondContact O-CD2 3.2Å; A843-Y845 WeakPolarHBondContact O-CE2 2.98Å; A843-E863 VanDerWaalsContact CA-O 3.3Å; A843-E863 WeakPolarHBondContact CA-O 3.28Å; A843-E863 WeakPolarHBondContact CB-O 3.44Å; A843-V865 HydrophobicContact CB-CG2 3.99Å; A843-F895 HydrophobicContact CB-CD1 3.82Å; A843-F895 HydrophobicContact CB-CE1 3.58Å
844	I	91.4	Very high	90.9	Very high	79 Å²	79	70.8 Å²	70.8	41%	0.405	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-87.7	117.7	177.2	-56.2	172.6	0	0	0	109	D846 K847 E863 V865	I844-D846 HydrophobicContact CG2-CB 4.04Å; I844-K847 HydrophobicContact CG2-CG 4.48Å; I844-E863 PolarHBondContact N-O 2.82Å; I844-E863 VanDerWaalsContact N-O 3.1Å; I844-V865 PolarHBondContact O-N 3.12Å
845	Y	94.3	Very high	91.3	Very high	11 Å²	11	64.3 Å²	64.3	4%	0.043	34%	0.34	C	S	.	.			trans	-99.9	-7.2	176.3	-63.6	-104.1	0	0	0	112.2	P832 M840 R841 A843 K847 L848 V865 D891 F895	P832-Y845 HydrophobicContact CB-CD1 4.3Å; P832-Y845 HydrophobicContact CB-CE1 4.37Å; P832-Y845 HydrophobicContact CG-CD1 4Å; P832-Y845 HydrophobicContact CG-CE1 4.14Å; M840-Y845 HydrophobicContact CE-CD1 3.87Å; M840-Y845 HydrophobicContact CE-CD2 3.55Å; M840-Y845 HydrophobicContact CE-CE1 3.94Å; M840-Y845 HydrophobicContact CE-CE2 3.66Å; M840-Y845 HydrophobicContact CE-CG 3.69Å; R841-Y845 PolarHBondContact N-OH 2.73Å; R841-Y845 VanDerWaalsContact N-OH 3.1Å; R841-Y845 WeakPolarHBondContact O-CE2 3.42Å; A843-Y845 HydrophobicContact CB-CE2 4.11Å; A843-Y845 WeakPolarHBondContact O-CD2 3.2Å; A843-Y845 WeakPolarHBondContact O-CE2 2.98Å; Y845-K847 PolarHBondContact O-N 3.33Å; Y845-L848 HydrophobicContact CD1-CD1 4.22Å; Y845-L848 WeakPolarHBondContact O-CB 3.29Å; Y845-L848 PolarHBondContact O-N 2.94Å; Y845-L848 VanDerWaalsContact O-N 3.11Å; Y845-V865 HydrophobicContact CD1-CB 4.15Å; Y845-V865 HydrophobicContact CD1-CG1 4.26Å; Y845-V865 HydrophobicContact CD1-CG2 3.51Å; Y845-V865 HydrophobicContact CD2-CG2 4.04Å; Y845-V865 HydrophobicContact CE1-CB 4.35Å; Y845-V865 HydrophobicContact CE1-CG1 4.26Å; Y845-V865 HydrophobicContact CE1-CG2 3.45Å; Y845-V865 VanDerWaalsContact CE1-CG2 3.45Å; Y845-V865 HydrophobicContact CE2-CG2 3.96Å; Y845-V865 HydrophobicContact CG-CG2 3.8Å; Y845-D891 PolarHBondContact OH-OD2 2.74Å; Y845-F895 HydrophobicContact CE1-CE1 4.47Å; Y845-F895 WeakPolarHBondContact OH-CE1 3.27Å; Y845-F895 WeakPolarHBondContact OH-CZ 3.5Å
846	D	93.9	Very high	91.8	Very high	134 Å²	134	60.3 Å²	60.3	72%	0.717	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.8	-174.4	-59.1	-23.6	0	0	0	113	I844 L848	I844-D846 HydrophobicContact CG2-CB 4.04Å; D846-L848 PolarHBondContact O-N 2.91Å
847	K	95.1	Very high	92.2	Very high	66 Å²	66	60.3 Å²	60.3	29%	0.287	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-8.8	177.5	-62.2	-174.7	-178.4	178.6	0	113.8	I844 Y845 I854 V858 R859 D864	I844-K847 HydrophobicContact CG2-CG 4.48Å; Y845-K847 PolarHBondContact O-N 3.33Å; K847-I854 HydrophobicContact CB-CD1 4.08Å; K847-V858 HydrophobicContact CD-CG1 4.32Å; K847-R859 PolarHBondContact NZ-O 3.03Å; K847-D864 HydrophobicContact CD-CB 4.35Å; K847-D864 WeakPolarHBondContact CD-OD1 3.46Å; K847-D864 VanDerWaalsContact CE-OD1 3.22Å; K847-D864 WeakPolarHBondContact CE-OD1 3.34Å; K847-D864 IonicContact NZ-OD1 3.54Å; K847-D864 PolarHBondContact NZ-OD1 2.82Å; K847-D864 IonicContact NZ-OD2 3.1Å; K847-D864 PolarHBondContact NZ-OD2 3.22Å
848	L	95.9	Very high	92.7	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	35%	0.352	C	S	.	.	S	Bend	trans	-82.1	139.1	174.7	-59.5	176.3	0	0	0	110.1	K831 Y845 D846 I854 V865	K831-L848 PolarHBondContact NZ-O 3.47Å; Y845-L848 HydrophobicContact CD1-CD1 4.22Å; Y845-L848 WeakPolarHBondContact O-CB 3.29Å; Y845-L848 PolarHBondContact O-N 2.94Å; Y845-L848 VanDerWaalsContact O-N 3.11Å; D846-L848 PolarHBondContact O-N 2.91Å; L848-I854 HydrophobicContact CD2-CB 4.48Å; L848-V865 HydrophobicContact CD1-CB 4.21Å; L848-V865 HydrophobicContact CD1-CG1 3.93Å; L848-V865 HydrophobicContact CD2-CB 4.5Å; L848-V865 HydrophobicContact CD2-CG1 4.36Å; L848-V865 HydrophobicContact CG-CB 4.47Å
849	D	95.4	Very high	93.1	Very high	81 Å²	81	69 Å²	69	43%	0.433	37%	0.37	S	S	.	.			trans	-74	175.3	165.9	-65.3	-29.2	0	0	0	110	D851 G852 L853	D849-D851 WeakPolarHBondContact CB-OD1 3.27Å; D849-D851 PolarHBondContact O-N 3.48Å; D849-G852 PolarHBondContact O-N 2.63Å; D849-L853 PolarHBondContact N-O 2.82Å
850	D	93.6	Very high	93.6	Very high	143 Å²	143	66.6 Å²	66.6	77%	0.765	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.5	-174	-63.2	-30.8	0	0	0	113	G852	D850-G852 PolarHBondContact O-N 2.89Å
851	D	93.3	Very high	93.8	Very high	82 Å²	82	67 Å²	67	44%	0.439	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-1.4	173.3	71.4	-16.5	0	0	0	113.4	F829 D849 L853	F829-D851 CarbonylContact C-O 3.56Å; F829-D851 VanDerWaalsContact C-O 3.31Å; D849-D851 WeakPolarHBondContact CB-OD1 3.27Å; D849-D851 PolarHBondContact O-N 3.48Å; D851-L853 VanDerWaalsContact C-N 3.28Å; D851-L853 PolarHBondContact O-N 3.13Å; D851-L853 PolarHBondContact OD1-N 3.49Å
852	G	93.8	Very high	93.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	76.2	11.7	-177	0	0	0	0	0	113.6	E830 D849 D850 I867 G868	E830-G852 VanDerWaalsContact C-CA 3.42Å; D849-G852 PolarHBondContact O-N 2.63Å; D850-G852 PolarHBondContact O-N 2.89Å; G852-I867 CarbonylContact O-C 3.58Å; G852-G868 WeakPolarHBondContact O-CA 3.29Å; G852-G868 PolarHBondContact O-N 3.24Å
853	L	96.7	Very high	93.8	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-111.8	161.4	176.3	-55.6	178.8	0	0	0	110.4	D849 D851 I867 V909 C919 I921	D849-L853 PolarHBondContact N-O 2.82Å; D851-L853 VanDerWaalsContact C-N 3.28Å; D851-L853 PolarHBondContact O-N 3.13Å; D851-L853 PolarHBondContact OD1-N 3.49Å; L853-I867 HydrophobicContact CD2-CB 4.45Å; L853-I867 HydrophobicContact CD2-CG1 4.27Å; L853-I867 HydrophobicContact CD2-CG2 3.92Å; L853-V909 HydrophobicContact CD1-CG2 3.51Å; L853-C919 HydrophobicContact CD1-CB 4.36Å; L853-C919 HydrophobicContact CD2-CB 4.38Å; L853-I921 HydrophobicContact CD2-CD1 4.45Å
854	I	96.6	Very high	94.1	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-99	138.7	176	-170.6	164.4	0	0	0	110.4	K847 L848 V858 V860 I866 V904 V907 I921	K847-I854 HydrophobicContact CB-CD1 4.08Å; L848-I854 HydrophobicContact CD2-CB 4.48Å; I854-V858 HydrophobicContact CD1-CB 3.93Å; I854-V858 HydrophobicContact CD1-CG1 3.78Å; I854-V858 HydrophobicContact CG1-CB 3.95Å; I854-V858 HydrophobicContact CG1-CG1 4.2Å; I854-V858 HydrophobicContact CG1-CG2 4.25Å; I854-V860 HydrophobicContact CD1-CG1 3.33Å; I854-I866 HydrophobicContact CG2-CB 4.24Å; I854-I866 HydrophobicContact CG2-CG2 4.45Å; I854-I866 WeakPolarHBondContact CG2-O 3.3Å; I854-V904 HydrophobicContact CD1-CG2 3.99Å; I854-V904 HydrophobicContact CG1-CG2 4.18Å; I854-V904 HydrophobicContact CG2-CG1 4.38Å; I854-V904 HydrophobicContact CG2-CG2 3.78Å; I854-V907 WeakPolarHBondContact O-CG2 3.11Å; I854-I921 HydrophobicContact CG2-CD1 3.97Å; I854-I921 HydrophobicContact CG2-CG2 4.26Å
855	A	96.6	Very high	94.3	Very high	35 Å²	35	53 Å²	53	29%	0.289	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-72.9	149.2	176.1	0	0	0	0	0	113.4	V858	A855-V858 HydrophobicContact CB-CG2 4.38Å; A855-V858 WeakPolarHBondContact O-CG2 3.18Å
856	P	97.4	Very high	94.4	Very high	77 Å²	77	52.5 Å²	52.5	50%	0.5	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	144.4	169.3	-23.5	34.7	0	0	0	112.7	V907	P856-V907 HydrophobicContact CG-CB 4.16Å; P856-V907 HydrophobicContact CG-CG2 3.94Å
857	G	95.8	Very high	94.5	Very high	54 Å²	54	46.1 Å²	46.1	56%	0.557	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-14.6	-179.3	0	0	0	0	0	114.8	I903 V904	G857-I903 WeakPolarHBondContact O-CG2 3.48Å; G857-V904 PolarHBondContact N-O 2.9Å
858	V	96.9	Very high	94.5	Very high	49 Å²	49	43 Å²	43	30%	0.297	24%	0.242	S	C	.	.			trans	-74	138.3	177.8	-176.3	0	0	0	0	111	K847 I854 A855 I903 V904	K847-V858 HydrophobicContact CD-CG1 4.32Å; I854-V858 HydrophobicContact CD1-CB 3.93Å; I854-V858 HydrophobicContact CD1-CG1 3.78Å; I854-V858 HydrophobicContact CG1-CB 3.95Å; I854-V858 HydrophobicContact CG1-CG1 4.2Å; I854-V858 HydrophobicContact CG1-CG2 4.25Å; A855-V858 HydrophobicContact CB-CG2 4.38Å; A855-V858 WeakPolarHBondContact O-CG2 3.18Å; V858-I903 WeakPolarHBondContact O-CA 3.46Å; V858-V904 PolarHBondContact O-N 3.17Å
859	R	96.8	Very high	94.5	Very high	185 Å²	185	43.6 Å²	43.6	70%	0.698	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.2	176.6	-170.1	173.8	-175.4	151.2	-0.1	111.1	K847 I903	K847-R859 PolarHBondContact NZ-O 3.03Å; R859-I903 HydrophobicContact CB-CG1 4.49Å; R859-I903 HydrophobicContact CG-CG1 4.44Å
860	V	95.4	Very high	94.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.4	-178	-66.6	0	0	0	0	112.2	I854 D864 I866 L896 G902 V904 V923	I854-V860 HydrophobicContact CD1-CG1 3.33Å; V860-D864 WeakPolarHBondContact CA-OD2 3.26Å; V860-D864 HydrophobicContact CB-CB 4.38Å; V860-D864 HydrophobicContact CG1-CB 4.46Å; V860-I866 HydrophobicContact CG1-CG2 4.26Å; V860-L896 HydrophobicContact CB-CD2 4.2Å; V860-L896 HydrophobicContact CG2-CD1 4.49Å; V860-L896 HydrophobicContact CG2-CD2 3.93Å; V860-G902 PolarHBondContact N-O 3.13Å; V860-G902 PolarHBondContact O-N 3.09Å; V860-G902 VanDerWaalsContact O-O 3.06Å; V860-V904 HydrophobicContact CG1-CG2 4Å; V860-V904 HydrophobicContact CG2-CG2 4.27Å; V860-V923 HydrophobicContact CG2-CG1 3.88Å; V860-V923 HydrophobicContact CG2-CG2 4.39Å
861	S	93.4	Very high	94.3	Very high	46 Å²	46	33.9 Å²	33.9	32%	0.322	19%	0.193	S	C	.	.			trans	-140.5	172.3	-176.6	70.3	0	0	0	0	109.9	E863 D864 L896 E900	S861-E863 PolarHBondContact O-N 2.68Å; S861-E863 VanDerWaalsContact O-N 3.09Å; S861-D864 WeakPolarHBondContact CA-OD2 2.95Å; S861-D864 WeakPolarHBondContact CB-OD2 3.45Å; S861-D864 PolarHBondContact N-OD2 3.01Å; S861-D864 WeakPolarHBondContact O-CB 3.46Å; S861-D864 PolarHBondContact O-N 2.72Å; S861-D864 PolarHBondContact OG-OD2 3.4Å; S861-L896 WeakPolarHBondContact O-CB 3.46Å; S861-L896 WeakPolarHBondContact O-CD2 3.36Å; S861-E900 CarbonylContact C-O 3.53Å
862	G	86.1	Confident	94.2	Very high	11 Å²	11	31.7 Å²	31.7	11%	0.113	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.4	-170.1	0	0	0	0	0	116.4	R897 E900	G862-R897 VanDerWaalsContact CA-O 3.3Å; G862-R897 WeakPolarHBondContact CA-O 3.38Å; G862-E900 PolarHBondContact N-O 2.94Å
863	E	84.8	Confident	93.7	Very high	130 Å²	130	35 Å²	35	61%	0.607	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	11.9	178.3	-61.8	-173.7	166	0	0	112.9	A843 I844 S861	A843-E863 VanDerWaalsContact CA-O 3.3Å; A843-E863 WeakPolarHBondContact CA-O 3.28Å; A843-E863 WeakPolarHBondContact CB-O 3.44Å; I844-E863 PolarHBondContact N-O 2.82Å; I844-E863 VanDerWaalsContact N-O 3.1Å; S861-E863 PolarHBondContact O-N 2.68Å; S861-E863 VanDerWaalsContact O-N 3.09Å
864	D	93.7	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-96.3	140.9	177.3	-63.7	-55.6	0	0	0	111.7	K847 V860 S861 L896	K847-D864 HydrophobicContact CD-CB 4.35Å; K847-D864 WeakPolarHBondContact CD-OD1 3.46Å; K847-D864 VanDerWaalsContact CE-OD1 3.22Å; K847-D864 WeakPolarHBondContact CE-OD1 3.34Å; K847-D864 IonicContact NZ-OD1 3.54Å; K847-D864 PolarHBondContact NZ-OD1 2.82Å; K847-D864 IonicContact NZ-OD2 3.1Å; K847-D864 PolarHBondContact NZ-OD2 3.22Å; V860-D864 WeakPolarHBondContact CA-OD2 3.26Å; V860-D864 HydrophobicContact CB-CB 4.38Å; V860-D864 HydrophobicContact CG1-CB 4.46Å; S861-D864 WeakPolarHBondContact CA-OD2 2.95Å; S861-D864 WeakPolarHBondContact CB-OD2 3.45Å; S861-D864 PolarHBondContact N-OD2 3.01Å; S861-D864 WeakPolarHBondContact O-CB 3.46Å; S861-D864 PolarHBondContact O-N 2.72Å; S861-D864 PolarHBondContact OG-OD2 3.4Å; D864-L896 PolarHBondContact O-N 2.93Å
865	V	94.8	Very high	91.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.7	170.1	-168.8	0	0	0	0	108.7	A843 I844 Y845 L848 F895	A843-V865 HydrophobicContact CB-CG2 3.99Å; I844-V865 PolarHBondContact O-N 3.12Å; Y845-V865 HydrophobicContact CD1-CB 4.15Å; Y845-V865 HydrophobicContact CD1-CG1 4.26Å; Y845-V865 HydrophobicContact CD1-CG2 3.51Å; Y845-V865 HydrophobicContact CD2-CG2 4.04Å; Y845-V865 HydrophobicContact CE1-CB 4.35Å; Y845-V865 HydrophobicContact CE1-CG1 4.26Å; Y845-V865 HydrophobicContact CE1-CG2 3.45Å; Y845-V865 VanDerWaalsContact CE1-CG2 3.45Å; Y845-V865 HydrophobicContact CE2-CG2 3.96Å; Y845-V865 HydrophobicContact CG-CG2 3.8Å; L848-V865 HydrophobicContact CD1-CB 4.21Å; L848-V865 HydrophobicContact CD1-CG1 3.93Å; L848-V865 HydrophobicContact CD2-CB 4.5Å; L848-V865 HydrophobicContact CD2-CG1 4.36Å; L848-V865 HydrophobicContact CG-CB 4.47Å; V865-F895 HydrophobicContact CB-CD1 4.29Å; V865-F895 HydrophobicContact CB-CE1 4.34Å; V865-F895 HydrophobicContact CG1-CE1 4.45Å; V865-F895 HydrophobicContact CG2-CD1 3.56Å; V865-F895 HydrophobicContact CG2-CE1 3.3Å; V865-F895 HydrophobicContact CG2-CZ 4.31Å
866	I	95.6	Very high	89.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-26.9	176.1	53.6	169.6	0	0	0	112.2	Y814 I854 V860 T894 I921	Y814-I866 HydrophobicContact CD1-CD1 3.81Å; Y814-I866 HydrophobicContact CD2-CD1 3.49Å; Y814-I866 VanDerWaalsContact CD2-CD1 3.49Å; Y814-I866 HydrophobicContact CE1-CD1 4.31Å; Y814-I866 HydrophobicContact CE2-CD1 4.06Å; Y814-I866 HydrophobicContact CG-CD1 3.35Å; I854-I866 HydrophobicContact CG2-CB 4.24Å; I854-I866 HydrophobicContact CG2-CG2 4.45Å; I854-I866 WeakPolarHBondContact CG2-O 3.3Å; V860-I866 HydrophobicContact CG1-CG2 4.26Å; I866-T894 HydrophobicContact CD1-CG2 4.45Å; I866-T894 VanDerWaalsContact CG1-O 3.26Å; I866-T894 WeakPolarHBondContact CG1-O 3.46Å; I866-T894 PolarHBondContact N-O 2.93Å; I866-I921 VanDerWaalsContact O-CD1 3.32Å; I866-I921 WeakPolarHBondContact O-CD1 3.21Å
867	I	96.6	Very high	87.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	106.7	179	-58	168	0	0	0	107.7	E816 F829 G852 L853 K869 S893 T894 I921	E816-I867 HydrophobicContact CB-CD1 3.66Å; E816-I867 HydrophobicContact CB-CG2 4.08Å; E816-I867 HydrophobicContact CG-CG2 4.11Å; F829-I867 HydrophobicContact CD1-CG2 4Å; F829-I867 HydrophobicContact CE1-CG2 3.81Å; G852-I867 CarbonylContact O-C 3.58Å; L853-I867 HydrophobicContact CD2-CB 4.45Å; L853-I867 HydrophobicContact CD2-CG1 4.27Å; L853-I867 HydrophobicContact CD2-CG2 3.92Å; I867-K869 PolarHBondContact O-N 2.98Å; I867-S893 CarbonylContact O-C 3.52Å; I867-S893 VanDerWaalsContact O-CA 3.29Å; I867-S893 WeakPolarHBondContact O-CA 3.35Å; I867-S893 WeakPolarHBondContact O-CB 3.16Å; I867-T894 PolarHBondContact N-O 3.31Å; I867-T894 PolarHBondContact O-N 3.19Å; I867-I921 HydrophobicContact CD1-CD1 4.08Å; I867-I921 HydrophobicContact CD1-CG1 4.3Å; I867-I921 HydrophobicContact CG1-CD1 3.51Å; I867-I921 HydrophobicContact CG1-CG1 4.26Å
868	G	96.1	Very high	85.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.285	C	S	.	.			trans	-69.9	113	166.6	0	0	0	0	0	110.2	E830 G852 S893	E830-G868 PolarHBondContact N-O 3.3Å; E830-G868 CarbonylContact O-C 3.43Å; G852-G868 WeakPolarHBondContact O-CA 3.29Å; G852-G868 PolarHBondContact O-N 3.24Å; G868-S893 WeakPolarHBondContact CA-OG 3.27Å
869	K	95	Very high	83.7	Confident	13 Å²	13	62 Å²	62	6%	0.057	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.5	176.9	-166.6	175.2	66.3	165.1	0	109.4	E816 E827 V828 F829 I867 C892 S893	E816-K869 HydrophobicContact CG-CD 3.89Å; E816-K869 IonicContact OE1-NZ 2.85Å; E816-K869 PolarHBondContact OE1-NZ 3.19Å; E827-K869 HydrophobicContact CB-CD 4.26Å; E827-K869 HydrophobicContact CB-CG 4.4Å; E827-K869 WeakPolarHBondContact OE2-CE 3.29Å; E827-K869 IonicContact OE2-NZ 2.86Å; E827-K869 PolarHBondContact OE2-NZ 2.98Å; V828-K869 WeakPolarHBondContact O-CA 3.43Å; F829-K869 HydrophobicContact CD1-CB 4.22Å; F829-K869 HydrophobicContact CD1-CD 4.34Å; F829-K869 HydrophobicContact CD1-CG 4.07Å; F829-K869 HydrophobicContact CE1-CB 4.39Å; F829-K869 HydrophobicContact CE1-CD 3.87Å; F829-K869 HydrophobicContact CE1-CG 4.11Å; I867-K869 PolarHBondContact O-N 2.98Å; K869-C892 WeakPolarHBondContact CE-O 3.3Å; K869-C892 VanDerWaalsContact CE-SG 3.53Å; K869-C892 CarbonylContact O-C 3.59Å; K869-C892 PolarHBondContact O-N 3.37Å; K869-C892 PolarHBondContact O-SG 2.72Å; K869-C892 VanDerWaalsContact O-SG 3.39Å; K869-S893 PolarHBondContact N-OG 2.94Å; K869-S893 PolarHBondContact O-N 2.99Å; K869-S893 VanDerWaalsContact O-N 3.1Å; K869-S893 PolarHBondContact O-OG 2.99Å
870	T	93.4	Very high	81.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	152.3	177.3	66.1	0	0	0	0	109	E827 V828 E830 P832 C837 R890	E827-T870 CarbonylContact C-O 3.57Å; E827-T870 WeakPolarHBondContact CA-O 3.39Å; V828-T870 PolarHBondContact N-O 3.32Å; V828-T870 PolarHBondContact O-N 3.28Å; E830-T870 HydrophobicContact CG-CG2 3.93Å; E830-T870 WeakPolarHBondContact CG-OG1 3.19Å; E830-T870 WeakPolarHBondContact OE1-CB 3.3Å; E830-T870 WeakPolarHBondContact OE1-CG2 3.47Å; E830-T870 PolarHBondContact OE1-OG1 3.26Å; P832-T870 HydrophobicContact CB-CG2 3.96Å; P832-T870 HydrophobicContact CG-CG2 3.97Å; C837-T870 VanDerWaalsContact SG-CG2 3.57Å; T870-R890 CarbonylContact C-O 3.53Å; T870-R890 WeakPolarHBondContact CA-O 3.15Å
871	V	92.6	Very high	79.8	Confident	20 Å²	20	68.1 Å²	68.1	12%	0.121	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.9	171.1	62.5	0	0	0	0	108.9	Q825 E826 E827 L873 K889 R890	Q825-V871 HydrophobicContact CB-CG2 4.35Å; E826-V871 WeakPolarHBondContact O-CA 3.37Å; E827-V871 HydrophobicContact CG-CB 4.19Å; E827-V871 HydrophobicContact CG-CG2 4.11Å; V871-L873 PolarHBondContact O-N 3.03Å; V871-K889 CarbonylContact O-C 3.56Å; V871-K889 WeakPolarHBondContact O-CA 3.35Å; V871-R890 HydrophobicContact CG1-CB 3.77Å; V871-R890 HydrophobicContact CG1-CG 4.33Å; V871-R890 PolarHBondContact N-O 3.29Å; V871-R890 PolarHBondContact O-N 3.35Å
872	T	90	Very high	77.8	Confident	36 Å²	36	70.4 Å²	70.4	22%	0.221	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	133.8	174.8	55.2	0	0	0	0	110.1	D824 Q825 E826 K889	D824-T872 PolarHBondContact O-OG1 3.28Å; Q825-T872 WeakPolarHBondContact CA-OG1 3.27Å; E826-T872 PolarHBondContact N-OG1 2.78Å; E826-T872 PolarHBondContact O-N 3.22Å; E826-T872 PolarHBondContact O-OG1 2.82Å; T872-K889 HydrophobicContact CG2-CG 4.43Å
873	L	83.9	Confident	76.1	Confident	69 Å²	69	76.2 Å²	76.2	36%	0.361	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-81.4	142	172.4	-71.3	166.7	0	0	0	108.7	V871 T888 R890	V871-L873 PolarHBondContact O-N 3.03Å; L873-T888 PolarHBondContact N-O 3.45Å; L873-T888 VanDerWaalsContact N-O 3.14Å; L873-R890 HydrophobicContact CD2-CB 4.14Å; L873-R890 HydrophobicContact CG-CB 4.27Å
874	P	77.6	Confident	74.6	Confident	50 Å²	50	77.5 Å²	77.5	33%	0.325	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-62.5	143.1	178.7	26.2	-32.4	0	0	0	110.8	R885	P874-R885 PolarHBondContact O-NH1 2.94Å
875	E	68.2	Low	73	Confident	171 Å²	171	83.5 Å²	83.5	80%	0.799	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-65.6	130.5	164.4	-63.5	-167.2	158.5	0	0	107.9
876	N	60.3	Low	71.8	Confident	102 Å²	102	92.4 Å²	92.4	55%	0.545	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-89.3	136.6	169.5	-91.8	6.5	0	0	0	106.7	D878	N876-D878 HydrophobicContact CB-CB 4.47Å; N876-D878 PolarHBondContact O-N 2.78Å
877	D	55.9	Low	71	Confident	161 Å²	161	95.9 Å²	95.9	86%	0.861	49%	0.488	S	S	*	.			trans	-71.5	29.4	167.1	-67.6	-30.7	0	0	0	113.5	E879	D877-E879 PolarHBondContact O-N 3.08Å
878	D	53.3	Low	70.4	Confident	120 Å²	120	99.9 Å²	99.9	64%	0.642	51%	0.512	S	S	*	.			trans	-86.7	88.1	171.1	-92.3	-31.3	0	0	0	108.5	N876 L880	N876-D878 HydrophobicContact CB-CB 4.47Å; N876-D878 PolarHBondContact O-N 2.78Å; D878-L880 PolarHBondContact O-N 3.23Å
879	E	53.9	Low	70.1	Confident	187 Å²	187	102 Å²	102	87%	0.874	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-0.3	-175.2	-65.3	-176.4	155.6	0	0	115.5	D877	D877-E879 PolarHBondContact O-N 3.08Å
880	L	58.2	Low	69.9	Low	170 Å²	170	108.5 Å²	108.5	89%	0.89	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-10.7	-172.3	-89.9	137.5	0	0	0	115.8	D878	D878-L880 PolarHBondContact O-N 3.23Å
881	D	52.1	Low	69.9	Low	144 Å²	144	109.1 Å²	109.1	77%	0.77	55%	0.549	S	S	*	.	S	Bend	trans	-141.1	29.6	-172.2	-108.7	-16	0	0	0	114.9	T883	D881-T883 VanDerWaalsContact C-N 3.33Å; D881-T883 PolarHBondContact O-N 2.99Å
882	S	50.9	Low	69.9	Low	94 Å²	94	110.2 Å²	110.2	66%	0.657	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-5.8	-168.7	56.5	0	0	0	0	116.6
883	T	51.8	Low	70.1	Confident	133 Å²	133	108.8 Å²	108.8	82%	0.816	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	0.3	-172.1	51	0	0	0	0	116	D881	D881-T883 VanDerWaalsContact C-N 3.33Å; D881-T883 PolarHBondContact O-N 2.99Å
884	N	52.2	Low	70.5	Confident	157 Å²	157	107.1 Å²	107.1	84%	0.84	54%	0.542	S	S	*	.			trans	-134.3	39.4	-175	-120.5	-12.9	0	0	0	115.2	R886	N884-R886 PolarHBondContact O-N 3.42Å
885	R	59.7	Low	71.2	Confident	127 Å²	127	106.2 Å²	106.2	48%	0.479	53%	0.532	S	S	.	.			trans	-77.8	101.7	167.4	-75.5	-174.6	175	-159.9	-5.6	110.2	P874 Y887	P874-R885 PolarHBondContact O-NH1 2.94Å; R885-Y887 PolarHBondContact O-N 3.26Å
886	R	69.6	Low	72.2	Confident	186 Å²	186	98.4 Å²	98.4	70%	0.702	50%	0.496	S	S	*	.	S	Bend	trans	-60.1	-26.9	174.6	-176.4	175.3	174.2	178.1	-0.4	113.5	N884	N884-R886 PolarHBondContact O-N 3.42Å
887	Y	79.5	Confident	73.4	Confident	73 Å²	73	99 Å²	99	29%	0.286	49%	0.491	S	S	.	.			trans	-133.3	133.7	-177	-54.5	-67.4	0	0	0	111.1	R834 T836 R885	R834-Y887 WeakPolarHBondContact O-CE1 3.39Å; T836-Y887 WeakPolarHBondContact O-CA 3.23Å; R885-Y887 PolarHBondContact O-N 3.26Å
888	T	85	Confident	74.6	Confident	84 Å²	84	95.7 Å²	95.7	52%	0.515	48%	0.477	S	S	.	.	S	Bend	trans	-100.3	-25.2	178.2	51.1	0	0	0	0	112.2	T836 L873	T836-T888 PolarHBondContact O-N 3.09Å; L873-T888 PolarHBondContact N-O 3.45Å; L873-T888 VanDerWaalsContact N-O 3.14Å
889	K	89.2	Confident	75.9	Confident	45 Å²	45	93.4 Å²	93.4	20%	0.196	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	164.2	-176.4	-57.1	-175.1	-171.9	-174.1	0	110.9	E830 T836 C837 S838 V871 T872	E830-K889 WeakPolarHBondContact OE1-CD 3.28Å; E830-K889 WeakPolarHBondContact OE1-CE 3.16Å; E830-K889 IonicContact OE1-NZ 3.6Å; E830-K889 PolarHBondContact OE1-NZ 3.3Å; E830-K889 IonicContact OE2-NZ 3.84Å; E830-K889 PolarHBondContact OE2-NZ 3.03Å; T836-K889 PolarHBondContact O-N 3.11Å; C837-K889 CarbonylContact C-O 3.55Å; C837-K889 WeakPolarHBondContact CA-O 3.4Å; S838-K889 PolarHBondContact N-O 3.15Å; V871-K889 CarbonylContact O-C 3.56Å; V871-K889 WeakPolarHBondContact O-CA 3.35Å; T872-K889 HydrophobicContact CG2-CG 4.43Å
890	R	91.2	Very high	77.4	Confident	149 Å²	149	85.2 Å²	85.2	56%	0.562	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.9	172.3	176.6	-177.2	179.4	-179.2	2.7	109.8	S838 T870 V871 L873	S838-R890 CarbonylContact O-C 3.5Å; S838-R890 WeakPolarHBondContact O-CA 3.11Å; T870-R890 CarbonylContact C-O 3.53Å; T870-R890 WeakPolarHBondContact CA-O 3.15Å; V871-R890 HydrophobicContact CG1-CB 3.77Å; V871-R890 HydrophobicContact CG1-CG 4.33Å; V871-R890 PolarHBondContact N-O 3.29Å; V871-R890 PolarHBondContact O-N 3.35Å; L873-R890 HydrophobicContact CD2-CB 4.14Å; L873-R890 HydrophobicContact CG-CB 4.27Å
891	D	92.5	Very high	79	Confident	14 Å²	14	81 Å²	81	8%	0.075	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	128	176.2	178.2	29.9	0	0	0	111.5	S838 M840 Y845 S893	S838-D891 PolarHBondContact O-N 3.5Å; M840-D891 HydrophobicContact CG-CB 4.16Å; Y845-D891 PolarHBondContact OH-OD2 2.74Å; D891-S893 WeakPolarHBondContact OD1-CB 3.2Å; D891-S893 PolarHBondContact OD1-N 2.79Å; D891-S893 PolarHBondContact OD1-OG 2.91Å
892	C	92.1	Very high	81	Confident	42 Å²	42	74.6 Å²	74.6	28%	0.284	38%	0.381	S	S	.	.			trans	-133.9	28.8	171.8	59.1	0	0	0	0	111.6	K869	K869-C892 WeakPolarHBondContact CE-O 3.3Å; K869-C892 VanDerWaalsContact CE-SG 3.53Å; K869-C892 CarbonylContact O-C 3.59Å; K869-C892 PolarHBondContact O-N 3.37Å; K869-C892 PolarHBondContact O-SG 2.72Å; K869-C892 VanDerWaalsContact O-SG 3.39Å
893	S	94	Very high	83.3	Confident	7 Å²	7	72.2 Å²	72.2	5%	0.049	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-59.2	153.7	179.8	-60.7	0	0	0	0	113.2	I867 G868 K869 D891 F895	I867-S893 CarbonylContact O-C 3.52Å; I867-S893 VanDerWaalsContact O-CA 3.29Å; I867-S893 WeakPolarHBondContact O-CA 3.35Å; I867-S893 WeakPolarHBondContact O-CB 3.16Å; G868-S893 WeakPolarHBondContact CA-OG 3.27Å; K869-S893 PolarHBondContact N-OG 2.94Å; K869-S893 PolarHBondContact O-N 2.99Å; K869-S893 VanDerWaalsContact O-N 3.1Å; K869-S893 PolarHBondContact O-OG 2.99Å; D891-S893 WeakPolarHBondContact OD1-CB 3.2Å; D891-S893 PolarHBondContact OD1-N 2.79Å; D891-S893 PolarHBondContact OD1-OG 2.91Å; S893-F895 WeakPolarHBondContact O-CD2 3.37Å; S893-F895 WeakPolarHBondContact O-CE2 3.27Å
894	T	93.1	Very high	85.4	Confident	34 Å²	34	66 Å²	66	21%	0.209	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.4	177.5	-71.6	0	0	0	0	110.4	Y814 E816 I866 I867	Y814-T894 HydrophobicContact CD1-CG2 4.34Å; E816-T894 PolarHBondContact OE2-OG1 3.14Å; I866-T894 HydrophobicContact CD1-CG2 4.45Å; I866-T894 VanDerWaalsContact CG1-O 3.26Å; I866-T894 WeakPolarHBondContact CG1-O 3.46Å; I866-T894 PolarHBondContact N-O 2.93Å; I867-T894 PolarHBondContact N-O 3.31Å; I867-T894 PolarHBondContact O-N 3.19Å
895	F	92.1	Very high	87.6	Confident	30 Å²	30	60.3 Å²	60.3	13%	0.132	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	157.3	-176	-53.6	-93	0	0	0	110.6	R841 A843 Y845 V865 S893	R841-F895 HydrophobicContact CB-CE1 4.24Å; R841-F895 HydrophobicContact CB-CZ 4.07Å; R841-F895 HydrophobicContact CG-CE2 4.32Å; R841-F895 HydrophobicContact CG-CZ 3.88Å; A843-F895 HydrophobicContact CB-CD1 3.82Å; A843-F895 HydrophobicContact CB-CE1 3.58Å; Y845-F895 HydrophobicContact CE1-CE1 4.47Å; Y845-F895 WeakPolarHBondContact OH-CE1 3.27Å; Y845-F895 WeakPolarHBondContact OH-CZ 3.5Å; V865-F895 HydrophobicContact CB-CD1 4.29Å; V865-F895 HydrophobicContact CB-CE1 4.34Å; V865-F895 HydrophobicContact CG1-CE1 4.45Å; V865-F895 HydrophobicContact CG2-CD1 3.56Å; V865-F895 HydrophobicContact CG2-CE1 3.3Å; V865-F895 HydrophobicContact CG2-CZ 4.31Å; S893-F895 WeakPolarHBondContact O-CD2 3.37Å; S893-F895 WeakPolarHBondContact O-CE2 3.27Å
896	L	90.4	Very high	89.3	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.042	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-63.5	156.6	164.3	-157.4	71.7	0	0	0	109.7	Y814 V860 S861 D864 E900 V923	Y814-L896 HydrophobicContact CE2-CD1 3.57Å; Y814-L896 WeakPolarHBondContact OH-CD1 3.44Å; V860-L896 HydrophobicContact CB-CD2 4.2Å; V860-L896 HydrophobicContact CG2-CD1 4.49Å; V860-L896 HydrophobicContact CG2-CD2 3.93Å; S861-L896 WeakPolarHBondContact O-CB 3.46Å; S861-L896 WeakPolarHBondContact O-CD2 3.36Å; D864-L896 PolarHBondContact O-N 2.93Å; L896-E900 HydrophobicContact CD2-CB 4.25Å; L896-E900 VanDerWaalsContact CD2-O 3.27Å; L896-E900 WeakPolarHBondContact CD2-O 3.45Å; L896-E900 HydrophobicContact CG-CB 4.22Å; L896-V923 HydrophobicContact CD1-CG1 4.46Å; L896-V923 HydrophobicContact CD1-CG2 4.13Å
897	R	85.6	Confident	90.6	Very high	115 Å²	115	50.6 Å²	50.6	43%	0.434	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-72.2	142.4	173.4	-66.1	-166.8	-172.4	168.6	2.9	109.3	R812 G862 S899 E900	R812-R897 VanDerWaalsContact NH1-NE 3.1Å; G862-R897 VanDerWaalsContact CA-O 3.3Å; G862-R897 WeakPolarHBondContact CA-O 3.38Å; R897-S899 PolarHBondContact O-N 2.95Å; R897-S899 VanDerWaalsContact O-N 3.11Å; R897-E900 HydrophobicContact CB-CB 4.35Å; R897-E900 HydrophobicContact CB-CG 4.34Å; R897-E900 PolarHBondContact O-N 3.21Å
898	T	79.5	Confident	91.4	Very high	91 Å²	91	48.9 Å²	48.9	56%	0.558	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-39	-173.5	-33.8	0	0	0	0	113.7	E900	T898-E900 VanDerWaalsContact C-N 3.33Å
899	S	81.3	Confident	92	Very high	71 Å²	71	48.5 Å²	48.5	50%	0.497	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	1	-178.6	53.1	0	0	0	0	114.7	R897	R897-S899 PolarHBondContact O-N 2.95Å; R897-S899 VanDerWaalsContact O-N 3.11Å
900	E	85.3	Confident	92.3	Very high	16 Å²	16	48 Å²	48	8%	0.075	26%	0.255	C	S	.	.			trans	-103.4	139.8	-176.8	-77.1	164.9	-157.5	0	0	111.1	R812 Y814 S861 G862 L896 R897 T898	R812-E900 WeakPolarHBondContact CD-OE2 3.42Å; R812-E900 IonicContact CZ-OE1 3.83Å; R812-E900 IonicContact CZ-OE2 2.84Å; R812-E900 IonicContact NE-OE1 3.8Å; R812-E900 IonicContact NE-OE2 3.4Å; R812-E900 IonicContact NH1-OE1 3Å; R812-E900 PolarHBondContact NH1-OE1 3.14Å; R812-E900 IonicContact NH1-OE2 2.89Å; R812-E900 PolarHBondContact NH1-OE2 3.31Å; R812-E900 IonicContact NH2-OE1 3.3Å; R812-E900 PolarHBondContact NH2-OE1 3.42Å; R812-E900 VanDerWaalsContact NH2-OE1 3.16Å; Y814-E900 PolarHBondContact OH-OE2 2.95Å; S861-E900 CarbonylContact C-O 3.53Å; G862-E900 PolarHBondContact N-O 2.94Å; L896-E900 HydrophobicContact CD2-CB 4.25Å; L896-E900 VanDerWaalsContact CD2-O 3.27Å; L896-E900 WeakPolarHBondContact CD2-O 3.45Å; L896-E900 HydrophobicContact CG-CB 4.22Å; R897-E900 HydrophobicContact CB-CB 4.35Å; R897-E900 HydrophobicContact CB-CG 4.34Å; R897-E900 PolarHBondContact O-N 3.21Å; T898-E900 VanDerWaalsContact C-N 3.33Å
901	T	92.7	Very high	92.3	Very high	81 Å²	81	45 Å²	45	50%	0.497	25%	0.25	S	S	.	.			trans	-138.9	147	172.9	65.3	0	0	0	0	108.4	S925	T901-S925 VanDerWaalsContact O-CB 3.28Å; T901-S925 WeakPolarHBondContact O-CB 3.45Å; T901-S925 PolarHBondContact O-OG 2.95Å
902	G	94.4	Very high	92.1	Very high	9 Å²	9	44.8 Å²	44.8	9%	0.093	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	-167.9	-175.9	0	0	0	0	0	113.3	V860 R924	V860-G902 PolarHBondContact N-O 3.13Å; V860-G902 PolarHBondContact O-N 3.09Å; V860-G902 VanDerWaalsContact O-O 3.06Å; G902-R924 CarbonylContact C-O 3.54Å; G902-R924 WeakPolarHBondContact CA-O 3.42Å
903	I	97.5	Very high	91.8	Very high	45 Å²	45	46.9 Å²	46.9	23%	0.231	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.3	176.3	-62.9	171.5	0	0	0	107	G857 V858 R859 D905 V923 R924	G857-I903 WeakPolarHBondContact O-CG2 3.48Å; V858-I903 WeakPolarHBondContact O-CA 3.46Å; R859-I903 HydrophobicContact CB-CG1 4.49Å; R859-I903 HydrophobicContact CG-CG1 4.44Å; I903-D905 PolarHBondContact O-N 2.93Å; I903-V923 WeakPolarHBondContact O-CA 3.49Å; I903-R924 HydrophobicContact CB-CG 4.33Å; I903-R924 PolarHBondContact N-O 3.38Å; I903-R924 WeakPolarHBondContact O-CG 3.36Å; I903-R924 PolarHBondContact O-N 3.1Å
904	V	97.5	Very high	91.4	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	122.5	172.7	-176.2	0	0	0	0	108.2	I854 G857 V858 V860 V907 I921	I854-V904 HydrophobicContact CD1-CG2 3.99Å; I854-V904 HydrophobicContact CG1-CG2 4.18Å; I854-V904 HydrophobicContact CG2-CG1 4.38Å; I854-V904 HydrophobicContact CG2-CG2 3.78Å; G857-V904 PolarHBondContact N-O 2.9Å; V858-V904 PolarHBondContact O-N 3.17Å; V860-V904 HydrophobicContact CG1-CG2 4Å; V860-V904 HydrophobicContact CG2-CG2 4.27Å; V904-V907 HydrophobicContact CG1-CG2 3.68Å; V904-I921 HydrophobicContact CG1-CG2 3.78Å
905	D	97.2	Very high	91	Very high	37 Å²	37	51.3 Å²	51.3	20%	0.198	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-52.4	-176.3	-175.1	57.2	0	0	0	111.1	Y811 I903 R922 R924	Y811-D905 WeakPolarHBondContact CE1-OD2 3.48Å; I903-D905 PolarHBondContact O-N 2.93Å; D905-R922 HydrophobicContact CB-CB 4.48Å; D905-R922 HydrophobicContact CB-CG 4.47Å; D905-R922 WeakPolarHBondContact CB-O 3.35Å; D905-R922 PolarHBondContact N-O 3.04Å; D905-R922 IonicContact OD2-CZ 3.83Å; D905-R922 IonicContact OD2-NE 3.68Å; D905-R922 PolarHBondContact OD2-NE 3.38Å; D905-R922 IonicContact OD2-NH2 3.96Å; D905-R922 PolarHBondContact OD2-NH2 2.84Å; D905-R924 HydrophobicContact CB-CB 4.05Å; D905-R924 HydrophobicContact CB-CG 3.95Å; D905-R924 WeakPolarHBondContact OD1-CD 3.28Å; D905-R924 IonicContact OD1-NE 2.81Å
906	Q	96.1	Very high	91	Very high	68 Å²	68	53.6 Å²	53.6	32%	0.318	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	147.2	-178.4	-68.3	-177.8	-8.4	0	0	110.3	H741 M744 R922	H741-Q906 PolarHBondContact O-NE2 3.13Å; H741-Q906 PolarHBondContact O-OE1 3.26Å; M744-Q906 HydrophobicContact CE-CB 3.57Å; Q906-R922 PolarHBondContact N-O 2.84Å; Q906-R922 PolarHBondContact O-N 2.89Å; Q906-R922 VanDerWaalsContact OE1-NH2 3.11Å
907	V	97.1	Very high	91.2	Very high	42 Å²	42	57.3 Å²	57.3	26%	0.255	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.6	177.5	175	0	0	0	0	106.9	I854 P856 V904 I921	I854-V907 WeakPolarHBondContact O-CG2 3.11Å; P856-V907 HydrophobicContact CG-CB 4.16Å; P856-V907 HydrophobicContact CG-CG2 3.94Å; V904-V907 HydrophobicContact CG1-CG2 3.68Å; V907-I921 HydrophobicContact CG1-CD1 4.45Å; V907-I921 HydrophobicContact CG1-CG1 4.17Å; V907-I921 HydrophobicContact CG2-CD1 4.41Å; V907-I921 HydrophobicContact CG2-CG1 4.2Å; V907-I921 HydrophobicContact CG2-CG2 3.99Å
908	M	96.3	Very high	91.6	Very high	36 Å²	36	52 Å²	52	18%	0.177	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126	179.5	-177.1	-160	78.9	0	0	108.6	L115 M744 T910 C919 K920	L115-M908 HydrophobicContact CB-CE 4.37Å; L115-M908 HydrophobicContact CB-SD 3.85Å; L115-M908 HydrophobicContact CD1-SD 4.34Å; L115-M908 HydrophobicContact CD2-SD 3.97Å; L115-M908 HydrophobicContact CG-SD 4.27Å; M744-M908 HydrophobicContact CE-CB 4.08Å; M908-T910 HydrophobicContact CE-CG2 3.65Å; M908-C919 CarbonylContact O-C 3.6Å; M908-C919 VanDerWaalsContact O-CA 3.23Å; M908-C919 WeakPolarHBondContact O-CA 3.35Å; M908-K920 HydrophobicContact CE-CB 4.05Å; M908-K920 HydrophobicContact CE-CD 3.85Å; M908-K920 HydrophobicContact CE-CG 4Å; M908-K920 PolarHBondContact N-O 3.26Å; M908-K920 PolarHBondContact O-N 3.08Å
909	V	96.4	Very high	92.4	Very high	77 Å²	77	47.7 Å²	47.7	47%	0.467	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.3	173.2	-175.7	0	0	0	0	107.9	L853 K917 C919	L853-V909 HydrophobicContact CD1-CG2 3.51Å; V909-K917 HydrophobicContact CG1-CD 4.33Å; V909-K917 HydrophobicContact CG1-CG 4.01Å; V909-C919 HydrophobicContact CG2-CB 4.4Å
910	T	95.1	Very high	93.1	Very high	33 Å²	33	45 Å²	45	20%	0.202	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	179.8	-177.8	-172.3	0	0	0	0	110.2	R116 M908 F918	R116-T910 HydrophobicContact CG-CG2 4.2Å; R116-T910 WeakPolarHBondContact CG-OG1 3.39Å; M908-T910 HydrophobicContact CE-CG2 3.65Å; T910-F918 HydrophobicContact CG2-CB 4.26Å; T910-F918 HydrophobicContact CG2-CD1 3.66Å; T910-F918 HydrophobicContact CG2-CG 4.45Å; T910-F918 PolarHBondContact N-O 3.1Å; T910-F918 PolarHBondContact O-N 3.41Å
911	L	91.5	Very high	93.6	Very high	86 Å²	86	44.2 Å²	44.2	45%	0.45	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141.9	166.4	-57.4	174.8	0	0	0	110.5	R116 Y916	R116-L911 PolarHBondContact NE-O 2.76Å; L911-Y916 WeakPolarHBondContact CA-O 3.47Å
912	N	88.1	Confident	93.9	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.059	21%	0.211	C	C	.	.			trans	-84.1	-178.2	172.4	75.3	-1	0	0	0	111.5	E914 G915 Y916 F918	N912-E914 PolarHBondContact ND2-OE2 2.93Å; N912-E914 PolarHBondContact O-N 3.18Å; N912-E914 VanDerWaalsContact O-N 3.16Å; N912-E914 WeakPolarHBondContact OD1-CA 3.4Å; N912-E914 WeakPolarHBondContact OD1-CB 3.49Å; N912-E914 PolarHBondContact OD1-N 2.91Å; N912-G915 PolarHBondContact O-N 2.68Å; N912-G915 VanDerWaalsContact O-N 3.09Å; N912-G915 PolarHBondContact OD1-N 3.31Å; N912-Y916 PolarHBondContact N-O 3.46Å; N912-Y916 PolarHBondContact OD1-N 2.98Å; N912-Y916 PolarHBondContact OD1-O 3.42Å; N912-F918 HydrophobicContact CB-CB 4.1Å; N912-F918 HydrophobicContact CB-CG 4.43Å
913	Q	86.2	Confident	94	Very high	86 Å²	86	40.6 Å²	40.6	40%	0.402	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.6	177.2	76.9	-170.7	-18.2	0	0	114.3	L118	L118-Q913 HydrophobicContact CD2-CB 3.67Å
914	E	85.2	Confident	93.9	Very high	106 Å²	106	42.5 Å²	42.5	50%	0.495	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.4	-178.6	-71.2	145	-151.3	0	0	111.7	N912 Y916	N912-E914 PolarHBondContact ND2-OE2 2.93Å; N912-E914 PolarHBondContact O-N 3.18Å; N912-E914 VanDerWaalsContact O-N 3.16Å; N912-E914 WeakPolarHBondContact OD1-CA 3.4Å; N912-E914 WeakPolarHBondContact OD1-CB 3.49Å; N912-E914 PolarHBondContact OD1-N 2.91Å; E914-Y916 VanDerWaalsContact C-N 3.3Å; E914-Y916 HydrophobicContact CB-CD2 3.65Å; E914-Y916 HydrophobicContact CB-CE2 3.86Å; E914-Y916 HydrophobicContact CB-CG 4.4Å; E914-Y916 WeakPolarHBondContact OE2-CD2 3.49Å
915	G	86.4	Confident	93.8	Very high	28 Å²	28	43.3 Å²	43.3	29%	0.289	22%	0.219	S	C	.	.	S	Bend	trans	79.9	8.7	-175.1	0	0	0	0	0	114	N912	N912-G915 PolarHBondContact O-N 2.68Å; N912-G915 VanDerWaalsContact O-N 3.09Å; N912-G915 PolarHBondContact OD1-N 3.31Å
916	Y	91.4	Very high	93.8	Very high	78 Å²	78	44.3 Å²	44.3	31%	0.306	23%	0.226	S	C	.	.			trans	-79.9	146.4	174	-65	-45.6	0	0	0	111.5	E818 K820 L911 N912 E914 F918	E818-Y916 VanDerWaalsContact O-CB 3.25Å; E818-Y916 WeakPolarHBondContact O-CB 3.49Å; E818-Y916 VanDerWaalsContact O-CD1 3.31Å; E818-Y916 WeakPolarHBondContact O-CD1 3.33Å; K820-Y916 HydrophobicContact CB-CE1 4Å; L911-Y916 WeakPolarHBondContact CA-O 3.47Å; N912-Y916 PolarHBondContact N-O 3.46Å; N912-Y916 PolarHBondContact OD1-N 2.98Å; N912-Y916 PolarHBondContact OD1-O 3.42Å; E914-Y916 VanDerWaalsContact C-N 3.3Å; E914-Y916 HydrophobicContact CB-CD2 3.65Å; E914-Y916 HydrophobicContact CB-CE2 3.86Å; E914-Y916 HydrophobicContact CB-CG 4.4Å; E914-Y916 WeakPolarHBondContact OE2-CD2 3.49Å; Y916-F918 PolarHBondContact O-N 3.35Å
917	K	93.5	Very high	93.7	Very high	86 Å²	86	42 Å²	42	37%	0.374	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	132.5	171	-162.1	-177.2	-73.2	159.6	0	109.3	E818 F829 V909	E818-K917 HydrophobicContact CB-CB 3.97Å; E818-K917 WeakPolarHBondContact CB-O 3.33Å; E818-K917 PolarHBondContact N-O 3.1Å; E818-K917 WeakPolarHBondContact OE2-CB 3.4Å; E818-K917 IonicContact OE2-NZ 3.74Å; F829-K917 HydrophobicContact CD2-CD 3.78Å; F829-K917 HydrophobicContact CD2-CG 4.19Å; F829-K917 HydrophobicContact CE2-CB 4.41Å; F829-K917 HydrophobicContact CE2-CD 4.34Å; F829-K917 HydrophobicContact CE2-CG 4.24Å; V909-K917 HydrophobicContact CG1-CD 4.33Å; V909-K917 HydrophobicContact CG1-CG 4.01Å
918	F	94.9	Very high	93.8	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129.4	-172.4	177.4	-109.1	0	0	0	108.9	N117 K815 E816 Q817 T910 N912 Y916 K920	N117-F918 WeakPolarHBondContact ND2-CZ 3.3Å; K815-F918 HydrophobicContact CB-CE2 3.97Å; K815-F918 HydrophobicContact CB-CZ 3.76Å; K815-F918 HydrophobicContact CD-CE2 4.44Å; K815-F918 HydrophobicContact CD-CZ 4.16Å; K815-F918 HydrophobicContact CG-CE2 4.5Å; K815-F918 HydrophobicContact CG-CZ 4.46Å; E816-F918 WeakPolarHBondContact O-CD2 3.24Å; E816-F918 WeakPolarHBondContact O-CE2 3.34Å; Q817-F918 HydrophobicContact CB-CD2 3.9Å; T910-F918 HydrophobicContact CG2-CB 4.26Å; T910-F918 HydrophobicContact CG2-CD1 3.66Å; T910-F918 HydrophobicContact CG2-CG 4.45Å; T910-F918 PolarHBondContact N-O 3.1Å; T910-F918 PolarHBondContact O-N 3.41Å; N912-F918 HydrophobicContact CB-CB 4.1Å; N912-F918 HydrophobicContact CB-CG 4.43Å; Y916-F918 PolarHBondContact O-N 3.35Å; F918-K920 HydrophobicContact CE1-CD 3.88Å; F918-K920 VanDerWaalsContact CE1-CE 3.48Å; F918-K920 HydrophobicContact CE1-CG 3.61Å; F918-K920 HydrophobicContact CZ-CD 4.18Å; F918-K920 HydrophobicContact CZ-CG 3.72Å
919	C	95.6	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.6	178.8	70.6	0	0	0	0	111.6	K815 E816 F829 L853 M908 V909	K815-C919 VanDerWaalsContact CA-O 3.31Å; K815-C919 WeakPolarHBondContact CA-O 3.33Å; E816-C919 PolarHBondContact N-O 3.03Å; E816-C919 PolarHBondContact O-N 3.3Å; F829-C919 HydrophobicContact CE2-CB 4.4Å; L853-C919 HydrophobicContact CD1-CB 4.36Å; L853-C919 HydrophobicContact CD2-CB 4.38Å; M908-C919 CarbonylContact O-C 3.6Å; M908-C919 VanDerWaalsContact O-CA 3.23Å; M908-C919 WeakPolarHBondContact O-CA 3.35Å; V909-C919 HydrophobicContact CG2-CB 4.4Å
920	K	96.6	Very high	93.8	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.057	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.1	167.7	-69.9	-178.9	167.2	163.5	0	109	R114 L115 N117 M744 Y814 K815 M908 F918	R114-K920 PolarHBondContact O-NZ 3.05Å; L115-K920 WeakPolarHBondContact O-CE 3.16Å; L115-K920 PolarHBondContact O-NZ 3.13Å; N117-K920 WeakPolarHBondContact OD1-CE 3.34Å; N117-K920 PolarHBondContact OD1-NZ 3.09Å; M744-K920 HydrophobicContact CB-CB 4.49Å; M744-K920 HydrophobicContact CB-CD 3.82Å; M744-K920 HydrophobicContact CG-CB 4.45Å; M744-K920 HydrophobicContact CG-CD 4.38Å; Y814-K920 CarbonylContact O-C 3.58Å; Y814-K920 VanDerWaalsContact O-CA 3.27Å; Y814-K920 WeakPolarHBondContact O-CA 3.45Å; K815-K920 HydrophobicContact CB-CG 3.96Å; M908-K920 HydrophobicContact CE-CB 4.05Å; M908-K920 HydrophobicContact CE-CD 3.85Å; M908-K920 HydrophobicContact CE-CG 4Å; M908-K920 PolarHBondContact N-O 3.26Å; M908-K920 PolarHBondContact O-N 3.08Å; F918-K920 HydrophobicContact CE1-CD 3.88Å; F918-K920 VanDerWaalsContact CE1-CE 3.48Å; F918-K920 HydrophobicContact CE1-CG 3.61Å; F918-K920 HydrophobicContact CZ-CD 4.18Å; F918-K920 HydrophobicContact CZ-CG 3.72Å
921	I	96.8	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.5	178	-55.8	-169.3	0	0	0	108.3	S813 Y814 L853 I854 I866 I867 V904 V907	S813-I921 CarbonylContact C-O 3.52Å; S813-I921 WeakPolarHBondContact CA-O 3.23Å; Y814-I921 PolarHBondContact N-O 3.24Å; Y814-I921 PolarHBondContact O-N 2.93Å; L853-I921 HydrophobicContact CD2-CD1 4.45Å; I854-I921 HydrophobicContact CG2-CD1 3.97Å; I854-I921 HydrophobicContact CG2-CG2 4.26Å; I866-I921 VanDerWaalsContact O-CD1 3.32Å; I866-I921 WeakPolarHBondContact O-CD1 3.21Å; I867-I921 HydrophobicContact CD1-CD1 4.08Å; I867-I921 HydrophobicContact CD1-CG1 4.3Å; I867-I921 HydrophobicContact CG1-CD1 3.51Å; I867-I921 HydrophobicContact CG1-CG1 4.26Å; V904-I921 HydrophobicContact CG1-CG2 3.78Å; V907-I921 HydrophobicContact CG1-CD1 4.45Å; V907-I921 HydrophobicContact CG1-CG1 4.17Å; V907-I921 HydrophobicContact CG2-CD1 4.41Å; V907-I921 HydrophobicContact CG2-CG1 4.2Å; V907-I921 HydrophobicContact CG2-CG2 3.99Å
922	R	97.1	Very high	94.1	Very high	6 Å²	6	41 Å²	41	2%	0.023	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.9	176.1	-168.1	168.1	74.3	-162.1	-3.3	109.7	F740 H741 R743 M744 Y811 R812 D905 Q906	F740-R922 PolarHBondContact O-NH1 2.9Å; H741-R922 VanDerWaalsContact O-CZ 3.31Å; H741-R922 PolarHBondContact O-NH1 2.98Å; H741-R922 PolarHBondContact O-NH2 3.17Å; R743-R922 PolarHBondContact O-NH1 3.28Å; M744-R922 HydrophobicContact SD-CB 3.73Å; M744-R922 HydrophobicContact SD-CG 4.49Å; Y811-R922 HydrophobicContact CD1-CG 4.07Å; R812-R922 CarbonylContact O-C 3.51Å; R812-R922 WeakPolarHBondContact O-CA 3.46Å; D905-R922 HydrophobicContact CB-CB 4.48Å; D905-R922 HydrophobicContact CB-CG 4.47Å; D905-R922 WeakPolarHBondContact CB-O 3.35Å; D905-R922 PolarHBondContact N-O 3.04Å; D905-R922 IonicContact OD2-CZ 3.83Å; D905-R922 IonicContact OD2-NE 3.68Å; D905-R922 PolarHBondContact OD2-NE 3.38Å; D905-R922 IonicContact OD2-NH2 3.96Å; D905-R922 PolarHBondContact OD2-NH2 2.84Å; Q906-R922 PolarHBondContact N-O 2.84Å; Q906-R922 PolarHBondContact O-N 2.89Å; Q906-R922 VanDerWaalsContact OE1-NH2 3.11Å
923	V	96.6	Very high	94.5	Very high	9 Å²	9	40.6 Å²	40.6	6%	0.055	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.9	175.9	-178	0	0	0	0	108.4	Y811 R812 Y814 V860 L896 I903	Y811-V923 WeakPolarHBondContact CA-O 3.49Å; R812-V923 PolarHBondContact N-O 3.16Å; R812-V923 PolarHBondContact O-N 3.23Å; Y814-V923 HydrophobicContact CD2-CG2 4.34Å; Y814-V923 HydrophobicContact CE2-CG2 4.31Å; V860-V923 HydrophobicContact CG2-CG1 3.88Å; V860-V923 HydrophobicContact CG2-CG2 4.39Å; L896-V923 HydrophobicContact CD1-CG1 4.46Å; L896-V923 HydrophobicContact CD1-CG2 4.13Å; I903-V923 WeakPolarHBondContact O-CA 3.49Å
924	R	96.3	Very high	95	Very high	85 Å²	85	40.5 Å²	40.5	32%	0.321	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.2	175.2	64.8	176.9	176.9	86.6	1.4	111.3	V809 F810 Y811 G902 I903 D905	V809-R924 HydrophobicContact CG2-CB 4.14Å; F810-R924 CarbonylContact O-C 3.59Å; F810-R924 WeakPolarHBondContact O-CA 3.33Å; Y811-R924 HydrophobicContact CD1-CB 3.79Å; Y811-R924 HydrophobicContact CE1-CB 3.67Å; G902-R924 CarbonylContact C-O 3.54Å; G902-R924 WeakPolarHBondContact CA-O 3.42Å; I903-R924 HydrophobicContact CB-CG 4.33Å; I903-R924 PolarHBondContact N-O 3.38Å; I903-R924 WeakPolarHBondContact O-CG 3.36Å; I903-R924 PolarHBondContact O-N 3.1Å; D905-R924 HydrophobicContact CB-CB 4.05Å; D905-R924 HydrophobicContact CB-CG 3.95Å; D905-R924 WeakPolarHBondContact OD1-CD 3.28Å; D905-R924 IonicContact OD1-NE 2.81Å
925	S	95.6	Very high	95.6	Very high	19 Å²	19	35.5 Å²	35.5	13%	0.133	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.1	176.1	-174.3	0	0	0	0	109.2	F810 T901	F810-S925 WeakPolarHBondContact CB-O 3.4Å; F810-S925 PolarHBondContact N-O 2.91Å; F810-S925 PolarHBondContact O-N 2.86Å; T901-S925 VanDerWaalsContact O-CB 3.28Å; T901-S925 WeakPolarHBondContact O-CB 3.45Å; T901-S925 PolarHBondContact O-OG 2.95Å
926	V	96.3	Very high	96.2	Very high	57 Å²	57	34.1 Å²	34.1	35%	0.345	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.5	178.9	-177.8	0	0	0	0	108.8	Y752 R807	Y752-V926 HydrophobicContact CE1-CG1 4.34Å; Y752-V926 WeakPolarHBondContact OH-CG1 3.43Å; Y752-V926 WeakPolarHBondContact OH-CG2 3.48Å; R807-V926 HydrophobicContact CG-CG1 3.77Å
927	R	95.5	Very high	96.4	Very high	19 Å²	19	30.4 Å²	30.4	7%	0.072	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	107.4	179.7	-57.8	-61.1	-170.3	105.8	12.2	109.2	S808 F810 R1050 M1054 D1056 D1057	S808-R927 PolarHBondContact N-O 3.05Å; S808-R927 VanDerWaalsContact N-O 3.11Å; S808-R927 PolarHBondContact O-N 3.22Å; S808-R927 PolarHBondContact OG-O 2.9Å; F810-R927 HydrophobicContact CB-CG 4.05Å; R927-R1050 PolarHBondContact O-NH1 3.45Å; R927-M1054 HydrophobicContact CB-SD 3.67Å; R927-M1054 HydrophobicContact CG-CE 3.98Å; R927-M1054 HydrophobicContact CG-SD 3.69Å; R927-D1056 IonicContact NH1-OD2 2.76Å; R927-D1057 IonicContact CZ-OD1 3.04Å; R927-D1057 IonicContact NH1-OD1 3.81Å; R927-D1057 PolarHBondContact NH1-OD1 3.46Å; R927-D1057 IonicContact NH1-OD2 3.28Å; R927-D1057 IonicContact NH2-OD1 2.86Å; R927-D1057 PolarHBondContact NH2-OD1 3.34Å; R927-D1057 IonicContact NH2-OD2 3.7Å
928	I	97.5	Very high	96.6	Very high	67 Å²	67	26.3 Å²	26.3	34%	0.344	13%	0.134	S	C	.	.			trans	-82.3	137.5	173.6	-56.8	177.2	0	0	0	107.9	V801 R807 Q930 R1050	V801-I928 HydrophobicContact CG1-CG2 3.48Å; V801-I928 VanDerWaalsContact CG1-CG2 3.48Å; R807-I928 HydrophobicContact CG-CG1 4.37Å; I928-Q930 PolarHBondContact O-N 3.4Å; I928-R1050 PolarHBondContact O-NH2 3.38Å
929	P	97.6	Very high	96.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.			trans	-52	128.2	169.9	-32.4	39.2	0	0	0	112.7	M796 V801 F805 F806 F935 Q948	M796-P929 HydrophobicContact SD-CB 4.23Å; V801-P929 HydrophobicContact CG1-CB 4.13Å; V801-P929 HydrophobicContact CG1-CG 4.36Å; V801-P929 HydrophobicContact CG2-CB 4.12Å; F805-P929 WeakPolarHBondContact O-CG 3.2Å; F806-P929 HydrophobicContact CB-CG 3.63Å; P929-F935 HydrophobicContact CB-CZ 3.98Å; P929-F935 HydrophobicContact CG-CZ 4.41Å; P929-Q948 PolarHBondContact O-NE2 2.85Å
930	Q	96.2	Very high	96.6	Very high	65 Å²	65	26.2 Å²	26.2	30%	0.304	13%	0.134	S	C	.	.			trans	-139.5	172.8	178.3	64.8	-178.9	-4.7	0	0	112.1	I928 G932 D933 C945 V1055 D1056	I928-Q930 PolarHBondContact O-N 3.4Å; Q930-G932 PolarHBondContact O-N 3.03Å; Q930-D933 WeakPolarHBondContact O-CB 3.45Å; Q930-D933 PolarHBondContact O-N 3.25Å; Q930-D933 VanDerWaalsContact O-N 3.17Å; Q930-C945 WeakPolarHBondContact O-CB 3.48Å; Q930-V1055 HydrophobicContact CG-CG1 3.99Å; Q930-D1056 PolarHBondContact NE2-OD1 2.81Å; Q930-D1056 PolarHBondContact NE2-OD2 3.34Å
931	I	97.1	Very high	96.4	Very high	95 Å²	95	26.1 Å²	26.1	49%	0.487	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	134	177.7	-61.9	173.7	0	0	0	109.6	C945 G946 V1055	I931-C945 WeakPolarHBondContact CA-O 3.42Å; I931-C945 WeakPolarHBondContact CG2-O 3.47Å; I931-G946 WeakPolarHBondContact CG2-O 3.49Å; I931-V1055 WeakPolarHBondContact O-CG1 3.38Å
932	G	95.6	Very high	96.3	Very high	27 Å²	27	31 Å²	31	28%	0.278	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-13.6	-177.3	0	0	0	0	0	115.4	Q930 C945	Q930-G932 PolarHBondContact O-N 3.03Å; G932-C945 PolarHBondContact N-O 3.12Å
933	D	96.9	Very high	96.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	16%	0.159	C	C	.	.			trans	-66.5	146	169.7	-78.8	-0.9	0	0	0	110.9	Q930 F935 T944 C945 R1050 M1054 V1055	Q930-D933 WeakPolarHBondContact O-CB 3.45Å; Q930-D933 PolarHBondContact O-N 3.25Å; Q930-D933 VanDerWaalsContact O-N 3.17Å; D933-F935 HydrophobicContact CB-CE2 3.78Å; D933-F935 HydrophobicContact CB-CZ 4.25Å; D933-T944 WeakPolarHBondContact O-CA 3.48Å; D933-C945 PolarHBondContact O-N 2.95Å; D933-R1050 IonicContact OD2-CZ 3.55Å; D933-R1050 IonicContact OD2-NE 2.68Å; D933-R1050 IonicContact OD2-NH2 3.67Å; D933-R1050 PolarHBondContact OD2-NH2 3Å; D933-M1054 VanDerWaalsContact OD1-CA 3.25Å; D933-M1054 WeakPolarHBondContact OD1-CA 3.42Å; D933-M1054 WeakPolarHBondContact OD1-CB 3.48Å; D933-V1055 PolarHBondContact OD1-N 3.28Å; D933-V1055 VanDerWaalsContact OD1-N 3.16Å
934	K	97.3	Very high	96.2	Very high	84 Å²	84	33.3 Å²	33.3	37%	0.365	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132	-177	-66	-174.9	-178.6	-177.7	0	112.5	T944 L1051 H1053	K934-T944 HydrophobicContact CG-CG2 3.79Å; K934-L1051 HydrophobicContact CB-CB 4.27Å; K934-L1051 HydrophobicContact CB-CD1 4.12Å; K934-L1051 WeakPolarHBondContact O-CB 3.41Å; K934-L1051 PolarHBondContact O-N 3.44Å; K934-H1053 HydrophobicContact CB-CB 4.34Å; K934-H1053 HydrophobicContact CD-CB 3.87Å; K934-H1053 HydrophobicContact CG-CB 4.32Å; K934-H1053 PolarHBondContact N-O 2.82Å
935	F	97.6	Very high	96.2	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	155.9	174.3	-61.5	-90.4	0	0	0	109.5	M796 F806 P929 D933 K942 G943 C945 Y1048 Q1049 R1050	M796-F935 HydrophobicContact CE-CD1 4.23Å; M796-F935 HydrophobicContact CE-CD2 3.78Å; M796-F935 HydrophobicContact CE-CE1 4.02Å; M796-F935 HydrophobicContact CE-CE2 3.58Å; M796-F935 HydrophobicContact CE-CG 4.13Å; M796-F935 HydrophobicContact CE-CZ 3.72Å; M796-F935 HydrophobicContact SD-CZ 4.42Å; F806-F935 HydrophobicContact CB-CE1 4.08Å; F806-F935 HydrophobicContact CD2-CD1 4.22Å; F806-F935 AromaticContact CD2-CE1 3.89Å; F806-F935 HydrophobicContact CD2-CE1 3.89Å; F806-F935 HydrophobicContact CE2-CD1 4.39Å; F806-F935 HydrophobicContact CE2-CE1 4.49Å; F806-F935 AromaticContact CG-CE1 3.95Å; F806-F935 HydrophobicContact CG-CE1 3.95Å; P929-F935 HydrophobicContact CB-CZ 3.98Å; P929-F935 HydrophobicContact CG-CZ 4.41Å; D933-F935 HydrophobicContact CB-CE2 3.78Å; D933-F935 HydrophobicContact CB-CZ 4.25Å; F935-K942 CarbonylContact O-C 3.52Å; F935-K942 WeakPolarHBondContact O-CA 3.37Å; F935-G943 PolarHBondContact N-O 2.92Å; F935-G943 PolarHBondContact O-N 2.88Å; F935-G943 VanDerWaalsContact O-O 3.1Å; F935-C945 HydrophobicContact CD2-CB 4.48Å; F935-C945 HydrophobicContact CE2-CB 4.17Å; F935-Y1048 HydrophobicContact CB-CD1 4.39Å; F935-Q1049 CarbonylContact C-O 3.6Å; F935-Q1049 VanDerWaalsContact CA-O 3.29Å; F935-Q1049 WeakPolarHBondContact CA-O 3.3Å; F935-R1050 HydrophobicContact CD1-CB 3.99Å; F935-R1050 HydrophobicContact CD1-CG 4.17Å; F935-R1050 HydrophobicContact CE1-CB 3.74Å; F935-R1050 HydrophobicContact CE1-CG 3.61Å; F935-R1050 HydrophobicContact CZ-CG 4.11Å
936	A	97.3	Very high	96.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.2	172.8	0	0	0	0	0	111.3	M728 Q941 K942 Q1049 L1051	M728-A936 HydrophobicContact SD-CB 4.1Å; A936-Q941 VanDerWaalsContact CA-O 3.23Å; A936-Q941 WeakPolarHBondContact CA-O 3.42Å; A936-K942 HydrophobicContact CB-CB 4.45Å; A936-Q1049 PolarHBondContact N-O 3.43Å; A936-Q1049 PolarHBondContact O-N 3.01Å; A936-L1051 HydrophobicContact CB-CD1 4.24Å; A936-L1051 HydrophobicContact CB-CD2 4.24Å; A936-L1051 HydrophobicContact CB-CG 4.44Å
937	S	96.4	Very high	96.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	175.5	162.7	70.1	0	0	0	0	110.3	Q725 H939 Q941 H980	Q725-S937 PolarHBondContact OE1-O 3Å; S937-H939 PolarHBondContact O-N 3.34Å; S937-H939 PolarHBondContact OG-N 2.91Å; S937-Q941 PolarHBondContact N-O 3.46Å; S937-H980 PolarHBondContact OG-ND1 3.29Å
938	R	96.9	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	7.9	174.6	-65.9	-171.4	-69	172.5	-12.6	114.9	I710 I711 Q725 V759 M764 E983 Y1047	I710-R938 WeakPolarHBondContact O-CD 3.4Å; I710-R938 PolarHBondContact O-NH1 3.23Å; I711-R938 WeakPolarHBondContact CG2-O 3.47Å; Q725-R938 WeakPolarHBondContact CG-O 3.22Å; V759-R938 VanDerWaalsContact O-CZ 3.28Å; V759-R938 PolarHBondContact O-NH1 2.78Å; V759-R938 PolarHBondContact O-NH2 3.43Å; M764-R938 VanDerWaalsContact CE-NH1 3.34Å; R938-E983 IonicContact CZ-OE1 2.67Å; R938-E983 IonicContact NE-OE1 3.41Å; R938-E983 PolarHBondContact NE-OE1 2.88Å; R938-E983 IonicContact NE-OE2 2.8Å; R938-E983 IonicContact NH2-OE1 2.78Å; R938-E983 PolarHBondContact NH2-OE1 2.87Å; R938-E983 IonicContact NH2-OE2 3.56Å; R938-Y1047 HydrophobicContact CG-CD1 3.94Å
939	H	97.3	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	25.1	-175.8	-63.5	-84.4	0	0	0	113	P712 N717 S937 Q941 T977 G979 H980 E983	P712-H939 PolarHBondContact O-CE1 2.82Å; N717-H939 PolarHBondContact ND2-ND1 3.22Å; N717-H939 PolarHBondContact OD1-ND1 2.95Å; S937-H939 PolarHBondContact O-N 3.34Å; S937-H939 PolarHBondContact OG-N 2.91Å; H939-Q941 PolarHBondContact O-N 3.38Å; H939-T977 HydrophobicContact CB-CG2 4.34Å; H939-G979 PolarHBondContact CE1-O 3.46Å; H939-H980 HydrophobicContact CB-CB 4.13Å; H939-H980 VanDerWaalsContact CD2-CA 3.43Å; H939-H980 WeakPolarHBondContact CD2-CA 3.29Å; H939-H980 AromaticContact CD2-ND1 3.9Å; H939-H980 PolarHBondContact CE1-N 3.35Å; H939-H980 WeakPolarHBondContact NE2-CA 3.23Å; H939-H980 PolarHBondContact NE2-N 2.8Å; H939-E983 IonicContact CD2-OE2 3.05Å; H939-E983 PolarHBondContact CD2-OE2 3.18Å; H939-E983 IonicContact NE2-OE2 2.65Å; H939-E983 PolarHBondContact NE2-OE2 3.12Å
940	G	93.4	Very high	96.6	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	67.9	22.4	178.3	0	0	0	0	0	113.3
941	Q	93.6	Very high	96.7	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.047	17%	0.171	C	C	.	.			trans	-96.7	94.3	171.9	-62	-176.6	-5.7	0	0	109.3	A936 S937 H939 I972 T977 H980	A936-Q941 VanDerWaalsContact CA-O 3.23Å; A936-Q941 WeakPolarHBondContact CA-O 3.42Å; S937-Q941 PolarHBondContact N-O 3.46Å; H939-Q941 PolarHBondContact O-N 3.38Å; Q941-I972 VanDerWaalsContact NE2-CD1 3.29Å; Q941-T977 HydrophobicContact CG-CG2 4.36Å; Q941-T977 PolarHBondContact NE2-OG1 3.45Å; Q941-H980 PolarHBondContact OE1-CE1 3.3Å; Q941-H980 PolarHBondContact OE1-ND1 2.99Å
942	K	94.6	Very high	96.6	Very high	104 Å²	104	34 Å²	34	45%	0.452	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	142.5	168.9	60	176.1	171.7	-156.4	0	110.1	M728 F935 A936	M728-K942 HydrophobicContact CE-CB 3.95Å; M728-K942 HydrophobicContact CE-CD 3.74Å; M728-K942 HydrophobicContact CE-CG 3.82Å; M728-K942 HydrophobicContact SD-CB 3.91Å; M728-K942 HydrophobicContact SD-CG 4.45Å; F935-K942 CarbonylContact O-C 3.52Å; F935-K942 WeakPolarHBondContact O-CA 3.37Å; A936-K942 HydrophobicContact CB-CB 4.45Å
943	G	93.9	Very high	96.7	Very high	10 Å²	10	34.9 Å²	34.9	10%	0.103	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	156.8	169.7	0	0	0	0	0	112.7	D792 F935	D792-G943 CarbonylContact O-C 3.58Å; D792-G943 WeakPolarHBondContact O-CA 3.02Å; F935-G943 PolarHBondContact N-O 2.92Å; F935-G943 PolarHBondContact O-N 2.88Å; F935-G943 VanDerWaalsContact O-O 3.1Å
944	T	96.9	Very high	96.8	Very high	52 Å²	52	34.8 Å²	34.8	32%	0.319	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.2	173.4	45.8	0	0	0	0	110.6	D792 S793 V794 D933 K934 G946	D792-T944 PolarHBondContact O-N 3.15Å; S793-T944 CarbonylContact C-O 3.58Å; S793-T944 VanDerWaalsContact CA-O 3.22Å; S793-T944 WeakPolarHBondContact CA-O 3.49Å; V794-T944 PolarHBondContact N-O 3.44Å; D933-T944 WeakPolarHBondContact O-CA 3.48Å; K934-T944 HydrophobicContact CG-CG2 3.79Å; T944-G946 PolarHBondContact O-N 3.2Å; T944-G946 VanDerWaalsContact O-N 3.11Å
945	C	97.3	Very high	96.8	Very high	1 Å²	1	31 Å²	31	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	115	169.3	-175	0	0	0	0	109.3	Q930 I931 G932 D933 F935	Q930-C945 WeakPolarHBondContact O-CB 3.48Å; I931-C945 WeakPolarHBondContact CA-O 3.42Å; I931-C945 WeakPolarHBondContact CG2-O 3.47Å; G932-C945 PolarHBondContact N-O 3.12Å; D933-C945 PolarHBondContact O-N 2.95Å; F935-C945 HydrophobicContact CD2-CB 4.48Å; F935-C945 HydrophobicContact CE2-CB 4.17Å
946	G	97	Very high	96.8	Very high	22 Å²	22	34.2 Å²	34.2	23%	0.227	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-44.8	-178.2	0	0	0	0	0	112.6	V794 I931 T944	V794-G946 PolarHBondContact O-N 3.23Å; I931-G946 WeakPolarHBondContact CG2-O 3.49Å; T944-G946 PolarHBondContact O-N 3.2Å; T944-G946 VanDerWaalsContact O-N 3.11Å
947	I	98.1	Very high	96.8	Very high	30 Å²	30	34.3 Å²	34.3	15%	0.154	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	162.1	174.9	-163.2	164.9	0	0	0	110.3	Y788 I795 M796 Y949	Y788-I947 HydrophobicContact CD1-CB 4.07Å; Y788-I947 HydrophobicContact CD1-CD1 4.11Å; Y788-I947 HydrophobicContact CD1-CG2 4.34Å; Y788-I947 HydrophobicContact CD2-CD1 3.91Å; Y788-I947 HydrophobicContact CD2-CG2 4.08Å; Y788-I947 HydrophobicContact CE1-CD1 4.04Å; Y788-I947 HydrophobicContact CE2-CD1 3.83Å; Y788-I947 HydrophobicContact CG-CB 3.93Å; Y788-I947 HydrophobicContact CG-CD1 4.05Å; Y788-I947 HydrophobicContact CG-CG2 3.69Å; I795-I947 HydrophobicContact CB-CG2 4.36Å; I795-I947 HydrophobicContact CG1-CG2 3.73Å; I795-I947 HydrophobicContact CG2-CG2 4.18Å; M796-I947 PolarHBondContact N-O 3.09Å; I947-Y949 HydrophobicContact CD1-CE1 4.11Å; I947-Y949 HydrophobicContact CG2-CD2 4.09Å; I947-Y949 HydrophobicContact CG2-CE2 3.66Å
948	Q	98.3	Very high	96.6	Very high	30 Å²	30	39.3 Å²	39.3	14%	0.14	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.5	171.8	-58.5	-179.1	-16.2	0	0	110	M796 R798 P929	M796-Q948 HydrophobicContact CB-CG 4.37Å; M796-Q948 WeakPolarHBondContact O-CA 3.46Å; R798-Q948 HydrophobicContact CB-CB 4Å; P929-Q948 PolarHBondContact O-NE2 2.85Å
949	Y	98.3	Very high	96.3	Very high	32 Å²	32	45.1 Å²	45.1	13%	0.125	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	144.1	174.4	-75.1	-60.5	0	0	0	110.3	Y785 T786 Y788 I795 M796 N797 R798 I947 D953 M954 F1032	Y785-Y949 HydrophobicContact CD1-CE2 4.5Å; Y785-Y949 HydrophobicContact CE1-CD2 4.43Å; Y785-Y949 HydrophobicContact CE1-CE2 4.41Å; T786-Y949 WeakPolarHBondContact CB-OH 3.23Å; T786-Y949 HydrophobicContact CG2-CE2 4.23Å; T786-Y949 WeakPolarHBondContact OG1-CE2 3.42Å; T786-Y949 PolarHBondContact OG1-OH 3.01Å; T786-Y949 VanDerWaalsContact OG1-OH 3.09Å; Y788-Y949 WeakPolarHBondContact CD2-OH 3.4Å; I795-Y949 HydrophobicContact CG2-CD2 3.6Å; I795-Y949 HydrophobicContact CG2-CE2 4.11Å; M796-Y949 PolarHBondContact O-N 3.14Å; M796-Y949 VanDerWaalsContact O-N 3.08Å; N797-Y949 CarbonylContact C-O 3.42Å; R798-Y949 WeakPolarHBondContact CB-O 3.36Å; R798-Y949 PolarHBondContact N-O 3.16Å; I947-Y949 HydrophobicContact CD1-CE1 4.11Å; I947-Y949 HydrophobicContact CG2-CD2 4.09Å; I947-Y949 HydrophobicContact CG2-CE2 3.66Å; Y949-D953 HydrophobicContact CD1-CB 3.93Å; Y949-D953 HydrophobicContact CG-CB 4.15Å; Y949-M954 HydrophobicContact CD2-SD 4.36Å; Y949-F1032 HydrophobicContact CE1-CZ 4.21Å
950	R	98.3	Very high	96.1	Very high	141 Å²	141	46.9 Å²	46.9	53%	0.532	25%	0.245	S	C	.	.			trans	-73.4	165.1	173.4	-61.7	-172.6	-56	-154.8	2.9	110.1	R798 E952 D953 M954	R798-R950 HydrophobicContact CB-CG 4.09Å; R798-R950 HydrophobicContact CG-CG 4.1Å; R950-E952 VanDerWaalsContact CB-CD 3.49Å; R950-E952 WeakPolarHBondContact CB-OE2 3.2Å; R950-E952 IonicContact CZ-OE1 2.65Å; R950-E952 IonicContact NE-OE1 2.94Å; R950-E952 PolarHBondContact NE-OE1 3.08Å; R950-E952 IonicContact NH2-OE1 3.69Å; R950-E952 PolarHBondContact NH2-OE1 3.29Å; R950-E952 PolarHBondContact O-N 3.37Å; R950-E952 VanDerWaalsContact O-N 3.14Å; R950-D953 PolarHBondContact O-N 3.29Å; R950-M954 WeakPolarHBondContact O-CG 3.46Å; R950-M954 PolarHBondContact O-N 3.44Å
951	Q	97.6	Very high	96.3	Very high	68 Å²	68	50 Å²	50	32%	0.318	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-54.2	-35.6	-174.2	-173.1	171.9	-7.7	0	0	112.9	S799 D953 M954 T962	S799-Q951 PolarHBondContact OG-N 3.45Å; Q951-D953 VanDerWaalsContact C-N 3.33Å; Q951-D953 PolarHBondContact O-N 2.72Å; Q951-M954 PolarHBondContact O-N 3.26Å; Q951-T962 HydrophobicContact CG-CG2 3.94Å
952	E	96.8	Very high	96.5	Very high	97 Å²	97	50.3 Å²	50.3	45%	0.453	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-66.7	-28.4	178.5	63	-90.4	-153.4	0	0	114.5	R950 G1031	R950-E952 VanDerWaalsContact CB-CD 3.49Å; R950-E952 WeakPolarHBondContact CB-OE2 3.2Å; R950-E952 IonicContact CZ-OE1 2.65Å; R950-E952 IonicContact NE-OE1 2.94Å; R950-E952 PolarHBondContact NE-OE1 3.08Å; R950-E952 IonicContact NH2-OE1 3.69Å; R950-E952 PolarHBondContact NH2-OE1 3.29Å; R950-E952 PolarHBondContact O-N 3.37Å; R950-E952 VanDerWaalsContact O-N 3.14Å; E952-G1031 CarbonylContact O-C 3.53Å; E952-G1031 WeakPolarHBondContact O-CA 3.04Å
953	D	97.4	Very high	96.6	Very high	46 Å²	46	45.4 Å²	45.4	25%	0.246	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-91.7	-12	-178.4	-66.2	-40.1	0	0	0	112.1	Y785 Y949 R950 Q951 F1032	Y785-D953 PolarHBondContact OH-O 3.48Å; Y949-D953 HydrophobicContact CD1-CB 3.93Å; Y949-D953 HydrophobicContact CG-CB 4.15Å; R950-D953 PolarHBondContact O-N 3.29Å; Q951-D953 VanDerWaalsContact C-N 3.33Å; Q951-D953 PolarHBondContact O-N 2.72Å; D953-F1032 HydrophobicContact CB-CD1 4.48Å; D953-F1032 HydrophobicContact CB-CE1 3.73Å; D953-F1032 HydrophobicContact CB-CZ 4.18Å; D953-F1032 WeakPolarHBondContact OD1-CE1 3.34Å
954	M	97.9	Very high	96.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-79.2	145.3	179.5	-70.6	-66.1	-82.3	0	0	110.8	I795 N797 Y949 R950 Q951 T962 P963 I966	I795-M954 HydrophobicContact CG2-SD 4.11Å; N797-M954 HydrophobicContact CB-CE 4.16Å; Y949-M954 HydrophobicContact CD2-SD 4.36Å; R950-M954 WeakPolarHBondContact O-CG 3.46Å; R950-M954 PolarHBondContact O-N 3.44Å; Q951-M954 PolarHBondContact O-N 3.26Å; M954-T962 HydrophobicContact CB-CG2 4.01Å; M954-P963 HydrophobicContact CE-CG 3.94Å; M954-P963 WeakPolarHBondContact CE-O 3.35Å; M954-I966 HydrophobicContact CE-CD1 3.79Å; M954-I966 HydrophobicContact CE-CG1 3.9Å; M954-I966 HydrophobicContact SD-CD1 4.2Å
955	P	97.9	Very high	96.9	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.026	23%	0.23	C	C	.	.			trans	-67.3	145.4	172.6	31.8	-35.3	0	0	0	109.9	P963 I966 L1028 Y1029 I1037	P955-P963 HydrophobicContact CG-CG 4.27Å; P955-P963 WeakPolarHBondContact O-CD 3.19Å; P955-I966 HydrophobicContact CG-CD1 3.78Å; P955-L1028 HydrophobicContact CB-CB 4.49Å; P955-L1028 HydrophobicContact CB-CD2 4.13Å; P955-L1028 HydrophobicContact CG-CD2 4.32Å; P955-Y1029 WeakPolarHBondContact CA-O 3.45Å; P955-Y1029 WeakPolarHBondContact CB-O 3.43Å; P955-I1037 HydrophobicContact CB-CD1 4.26Å
956	F	97.8	Very high	96.9	Very high	70 Å²	70	43.9 Å²	43.9	31%	0.307	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-131.1	153.4	-174.4	61.8	-84.4	0	0	0	112	I961 T962 L1028 Y1029	F956-I961 WeakPolarHBondContact CA-O 3.48Å; F956-T962 HydrophobicContact CB-CG2 3.84Å; F956-L1028 CarbonylContact O-C 3.49Å; F956-L1028 WeakPolarHBondContact O-CA 3.13Å; F956-Y1029 HydrophobicContact CD2-CD2 4.27Å; F956-Y1029 HydrophobicContact CE2-CD2 4.01Å; F956-Y1029 HydrophobicContact CE2-CG 4.04Å; F956-Y1029 HydrophobicContact CZ-CG 4.14Å; F956-Y1029 PolarHBondContact N-O 3.08Å; F956-Y1029 VanDerWaalsContact N-O 3.12Å; F956-Y1029 WeakPolarHBondContact O-CD2 3.42Å; F956-Y1029 PolarHBondContact O-N 2.84Å
957	T	96.4	Very high	97	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	22%	0.22	C	C	.	.			trans	-82.5	177.9	175.9	67.5	0	0	0	0	111.6	E959 G960 I961 E1026 L1028 L1043	T957-E959 PolarHBondContact O-N 3.4Å; T957-E959 PolarHBondContact OG1-N 3.14Å; T957-G960 PolarHBondContact O-N 3.31Å; T957-I961 HydrophobicContact CG2-CB 4.28Å; T957-I961 PolarHBondContact N-O 3.11Å; T957-I961 PolarHBondContact OG1-N 3.44Å; T957-E1026 WeakPolarHBondContact CG2-OE2 3.41Å; T957-L1028 HydrophobicContact CG2-CD1 4.02Å; T957-L1028 HydrophobicContact CG2-CG 4.27Å; T957-L1043 HydrophobicContact CG2-CD2 3.63Å
958	C	91.9	Very high	96.9	Very high	105 Å²	105	42.2 Å²	42.2	71%	0.709	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.8	172.9	48.5	0	0	0	0	113.9	G960	C958-G960 VanDerWaalsContact C-N 3.34Å
959	E	91.6	Very high	96.9	Very high	121 Å²	121	42.9 Å²	42.9	57%	0.565	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.3	177.5	-65.3	170	-178.1	0	0	112.8	T957 I961	T957-E959 PolarHBondContact O-N 3.4Å; T957-E959 PolarHBondContact OG1-N 3.14Å; E959-I961 HydrophobicContact CB-CD1 4.5Å; E959-I961 HydrophobicContact CB-CG1 4.3Å; E959-I961 WeakPolarHBondContact OE2-CD1 3.47Å
960	G	93.5	Very high	96.7	Very high	37 Å²	37	48.3 Å²	48.3	38%	0.381	25%	0.249	S	C	.	.			trans	84	14	-176.2	0	0	0	0	0	114.3	T957 C958 T962	T957-G960 PolarHBondContact O-N 3.31Å; C958-G960 VanDerWaalsContact C-N 3.34Å; G960-T962 PolarHBondContact O-N 3.23Å
961	I	96.6	Very high	96.5	Very high	68 Å²	68	42.4 Å²	42.4	35%	0.349	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-72.2	121.3	173.6	-58.5	174.7	0	0	0	108.5	I779 F956 T957 E959	I779-I961 HydrophobicContact CG2-CG2 4.39Å; F956-I961 WeakPolarHBondContact CA-O 3.48Å; T957-I961 HydrophobicContact CG2-CB 4.28Å; T957-I961 PolarHBondContact N-O 3.11Å; T957-I961 PolarHBondContact OG1-N 3.44Å; E959-I961 HydrophobicContact CB-CD1 4.5Å; E959-I961 HydrophobicContact CB-CG1 4.3Å; E959-I961 WeakPolarHBondContact OE2-CD1 3.47Å
962	T	97.9	Very high	96.4	Very high	17 Å²	17	40.2 Å²	40.2	10%	0.104	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-101.5	136.6	171.1	54.6	0	0	0	0	109.7	N797 Q951 M954 F956 G960	N797-T962 PolarHBondContact ND2-OG1 3.42Å; Q951-T962 HydrophobicContact CG-CG2 3.94Å; M954-T962 HydrophobicContact CB-CG2 4.01Å; F956-T962 HydrophobicContact CB-CG2 3.84Å; G960-T962 PolarHBondContact O-N 3.23Å
963	P	98	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-65.9	148.4	178.4	26.1	-29.1	0	0	0	111.1	I779 A781 N797 M954 P955 I966 L1043	I779-P963 HydrophobicContact CG2-CB 4.38Å; A781-P963 HydrophobicContact CB-CB 3.8Å; A781-P963 HydrophobicContact CB-CG 3.86Å; N797-P963 PolarHBondContact ND2-O 3.01Å; M954-P963 HydrophobicContact CE-CG 3.94Å; M954-P963 WeakPolarHBondContact CE-O 3.35Å; P955-P963 HydrophobicContact CG-CG 4.27Å; P955-P963 WeakPolarHBondContact O-CD 3.19Å; P963-I966 HydrophobicContact CB-CG1 4.38Å; P963-I966 HydrophobicContact CG-CD1 4.14Å; P963-I966 HydrophobicContact CG-CG1 3.81Å; P963-L1043 HydrophobicContact CB-CD1 4.01Å
964	D	98.3	Very high	96.1	Very high	31 Å²	31	42.2 Å²	42.2	17%	0.166	25%	0.246	C	C	.	.	S	Bend	trans	-78.1	-35.1	172.5	-61.9	-48.7	0	0	0	110.9	I779 M796 N797 F805	I779-D964 PolarHBondContact N-OD2 3.11Å; I779-D964 PolarHBondContact O-N 3.04Å; M796-D964 CarbonylContact C-O 3.51Å; M796-D964 WeakPolarHBondContact CA-O 3.34Å; N797-D964 PolarHBondContact N-O 2.79Å; F805-D964 HydrophobicContact CE1-CB 4.18Å; F805-D964 HydrophobicContact CE2-CB 4.4Å; F805-D964 HydrophobicContact CZ-CB 3.89Å
965	I	98	Very high	95.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.2	-179.1	-59.3	179.8	0	0	0	109.5	I779 V780 A781 V794 I795 M796 F805 I967 Y1048	I779-I965 PolarHBondContact O-N 3.42Å; I779-I965 VanDerWaalsContact O-N 3.15Å; V780-I965 WeakPolarHBondContact CA-O 3.22Å; A781-I965 PolarHBondContact N-O 3.28Å; V794-I965 HydrophobicContact CB-CG2 3.93Å; V794-I965 HydrophobicContact CG1-CG2 4.32Å; V794-I965 HydrophobicContact CG2-CG2 4.36Å; I795-I965 CarbonylContact O-C 3.57Å; I795-I965 WeakPolarHBondContact O-CA 3.45Å; M796-I965 HydrophobicContact CE-CD1 4.33Å; M796-I965 HydrophobicContact CE-CG1 4.44Å; F805-I965 HydrophobicContact CE1-CD1 4.33Å; F805-I965 HydrophobicContact CE1-CG1 4.27Å; F805-I965 HydrophobicContact CZ-CD1 4.19Å; F805-I965 HydrophobicContact CZ-CG1 4.33Å; I965-I967 HydrophobicContact CG2-CG2 3.92Å; I965-Y1048 HydrophobicContact CD1-CD1 3.79Å; I965-Y1048 HydrophobicContact CD1-CE1 4.19Å; I965-Y1048 HydrophobicContact CD1-CG 4.03Å
966	I	98.3	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.5	168.4	-48.4	175.8	0	0	0	108.7	A781 A783 Y785 I795 M954 P955 P963	A781-I966 HydrophobicContact CB-CG1 4.27Å; A781-I966 HydrophobicContact CB-CG2 4.36Å; A781-I966 CarbonylContact O-C 3.58Å; A781-I966 VanDerWaalsContact O-CA 3.31Å; A781-I966 WeakPolarHBondContact O-CA 3.37Å; A781-I966 WeakPolarHBondContact O-CG2 3.33Å; A783-I966 HydrophobicContact CB-CG2 3.96Å; A783-I966 WeakPolarHBondContact O-CG2 3.47Å; Y785-I966 HydrophobicContact CD1-CD1 4Å; Y785-I966 HydrophobicContact CG-CD1 4.28Å; I795-I966 HydrophobicContact CB-CB 4.18Å; I795-I966 HydrophobicContact CG2-CD1 4.39Å; I795-I966 PolarHBondContact N-O 3.19Å; I795-I966 VanDerWaalsContact N-O 3.13Å; I795-I966 PolarHBondContact O-N 2.85Å; M954-I966 HydrophobicContact CE-CD1 3.79Å; M954-I966 HydrophobicContact CE-CG1 3.9Å; M954-I966 HydrophobicContact SD-CD1 4.2Å; P955-I966 HydrophobicContact CG-CD1 3.78Å; P963-I966 HydrophobicContact CB-CG1 4.38Å; P963-I966 HydrophobicContact CG-CD1 4.14Å; P963-I966 HydrophobicContact CG-CG1 3.81Å
967	I	97.5	Very high	95.6	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	152.9	174	68.2	172.3	0	0	0	110.9	V780 A781 I782 A783 V794 I965 Y1048	V780-I967 HydrophobicContact CG1-CD1 4.13Å; V780-I967 HydrophobicContact CG1-CG1 3.98Å; V780-I967 HydrophobicContact CG1-CG2 4.22Å; A781-I967 PolarHBondContact O-N 3.42Å; I782-I967 WeakPolarHBondContact CA-O 3.44Å; I782-I967 HydrophobicContact CB-CG1 4.29Å; I782-I967 HydrophobicContact CD1-CD1 4.11Å; I782-I967 HydrophobicContact CG1-CD1 3.89Å; I782-I967 HydrophobicContact CG1-CG1 3.78Å; I782-I967 HydrophobicContact CG2-CG1 4.31Å; A783-I967 PolarHBondContact N-O 2.92Å; V794-I967 HydrophobicContact CG1-CG2 3.83Å; I965-I967 HydrophobicContact CG2-CG2 3.92Å; I967-Y1048 WeakPolarHBondContact CG2-OH 3.4Å
968	N	97.3	Very high	95.6	Very high	11 Å²	11	49 Å²	49	6%	0.059	28%	0.283	C	S	.	.			trans	-80.9	133.6	-179.7	-171.7	-40.7	0	0	0	111.6	N789 H970 A971	N789-N968 HydrophobicContact CB-CB 4.4Å; N789-N968 WeakPolarHBondContact O-CB 3.26Å; N968-H970 PolarHBondContact O-N 2.86Å; N968-H970 VanDerWaalsContact O-N 3.16Å; N968-H970 WeakPolarHBondContact OD1-CB 3.26Å; N968-H970 PolarHBondContact OD1-N 2.97Å; N968-A971 WeakPolarHBondContact O-CB 3.46Å; N968-A971 PolarHBondContact O-N 3.29Å; N968-A971 VanDerWaalsContact O-N 3.13Å
969	P	96.6	Very high	95.8	Very high	44 Å²	44	44 Å²	44	29%	0.286	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-53.7	-32.3	176.2	-25.3	30.8	0	0	0	114.4	I782 A971 I972 P973	I782-P969 HydrophobicContact CG2-CB 4.14Å; I782-P969 HydrophobicContact CG2-CG 4.06Å; P969-A971 PolarHBondContact O-N 3.18Å; P969-A971 VanDerWaalsContact O-N 3.09Å; P969-I972 PolarHBondContact O-N 2.95Å; P969-P973 WeakPolarHBondContact O-CD 3.47Å
970	H	95.9	Very high	96	Very high	147 Å²	147	38.2 Å²	38.2	68%	0.681	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-64.8	-14.3	-178.7	-63.2	164.1	0	0	0	113.8	N968 I972	N968-H970 PolarHBondContact O-N 2.86Å; N968-H970 VanDerWaalsContact O-N 3.16Å; N968-H970 WeakPolarHBondContact OD1-CB 3.26Å; N968-H970 PolarHBondContact OD1-N 2.97Å; H970-I972 PolarHBondContact O-N 3.3Å
971	A	94.1	Very high	96.2	Very high	16 Å²	16	39 Å²	39	13%	0.132	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-69.9	-16.2	173.4	0	0	0	0	0	113.3	N968 P969 R975	N968-A971 WeakPolarHBondContact O-CB 3.46Å; N968-A971 PolarHBondContact O-N 3.29Å; N968-A971 VanDerWaalsContact O-N 3.13Å; P969-A971 PolarHBondContact O-N 3.18Å; P969-A971 VanDerWaalsContact O-N 3.09Å; A971-R975 VanDerWaalsContact O-CB 3.3Å; A971-R975 WeakPolarHBondContact O-CB 3.2Å; A971-R975 VanDerWaalsContact O-CD 3.23Å; A971-R975 WeakPolarHBondContact O-CD 3.09Å; A971-R975 WeakPolarHBondContact O-CG 3.43Å
972	I	94.7	Very high	96.2	Very high	22 Å²	22	36.5 Å²	36.5	11%	0.113	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-53.7	-175.5	-52	-62.1	0	0	0	113.1	Q941 P969 H970 S974 R975 M976 L981	Q941-I972 VanDerWaalsContact NE2-CD1 3.29Å; P969-I972 PolarHBondContact O-N 2.95Å; H970-I972 PolarHBondContact O-N 3.3Å; I972-S974 PolarHBondContact O-N 3Å; I972-R975 PolarHBondContact O-N 3.39Å; I972-R975 VanDerWaalsContact O-N 3.15Å; I972-M976 PolarHBondContact O-N 3.47Å; I972-L981 HydrophobicContact CD1-CD2 4.37Å; I972-L981 HydrophobicContact CG1-CD2 4.45Å; I972-L981 HydrophobicContact CG2-CD1 4.18Å
973	P	95.3	Very high	96.1	Very high	94 Å²	94	35.8 Å²	35.8	61%	0.61	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-43.8	-168.2	-25.4	34.8	0	0	0	114.3	P969 R975 M976	P969-P973 WeakPolarHBondContact O-CD 3.47Å; P973-R975 VanDerWaalsContact C-N 3.3Å; P973-R975 PolarHBondContact O-N 2.84Å; P973-M976 WeakPolarHBondContact O-CG 3.5Å
974	S	92.6	Very high	96.1	Very high	91 Å²	91	35.8 Å²	35.8	64%	0.636	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.3	-179.3	61.3	0	0	0	0	113.4	I972	I972-S974 PolarHBondContact O-N 3Å
975	R	92.6	Very high	96	Very high	34 Å²	34	34.9 Å²	34.9	13%	0.128	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-19.5	-176.1	-57.4	-163.1	167.8	132.3	7.4	113.4	D792 A971 I972 P973 T977	D792-R975 IonicContact OD1-CZ 3.13Å; D792-R975 IonicContact OD1-NH1 2.67Å; D792-R975 PolarHBondContact OD1-NH1 3.47Å; D792-R975 IonicContact OD1-NH2 3.22Å; D792-R975 PolarHBondContact OD1-NH2 3.33Å; D792-R975 IonicContact OD2-CZ 2.69Å; D792-R975 IonicContact OD2-NH1 2.82Å; D792-R975 IonicContact OD2-NH2 2.66Å; D792-R975 PolarHBondContact OD2-NH2 3.48Å; A971-R975 VanDerWaalsContact O-CB 3.3Å; A971-R975 WeakPolarHBondContact O-CB 3.2Å; A971-R975 VanDerWaalsContact O-CD 3.23Å; A971-R975 WeakPolarHBondContact O-CD 3.09Å; A971-R975 WeakPolarHBondContact O-CG 3.43Å; I972-R975 PolarHBondContact O-N 3.39Å; I972-R975 VanDerWaalsContact O-N 3.15Å; P973-R975 VanDerWaalsContact C-N 3.3Å; P973-R975 PolarHBondContact O-N 2.84Å; R975-T977 HydrophobicContact CB-CG2 4.11Å; R975-T977 PolarHBondContact O-N 3.3Å
976	M	96	Very high	95.9	Very high	116 Å²	116	35.4 Å²	35.4	57%	0.571	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	41.2	179.7	-57.4	178.5	68	0	0	112.7	I972 P973 V978	I972-M976 PolarHBondContact O-N 3.47Å; P973-M976 WeakPolarHBondContact O-CG 3.5Å; M976-V978 VanDerWaalsContact C-N 3.29Å; M976-V978 PolarHBondContact O-N 3.17Å; M976-V978 VanDerWaalsContact O-N 3.13Å
977	T	94.8	Very high	95.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-86.4	69.3	176.6	51.7	0	0	0	0	109.9	R721 H939 Q941 R975 G979 H980	R721-T977 HydrophobicContact CB-CG2 4.07Å; R721-T977 HydrophobicContact CG-CG2 3.66Å; H939-T977 HydrophobicContact CB-CG2 4.34Å; Q941-T977 HydrophobicContact CG-CG2 4.36Å; Q941-T977 PolarHBondContact NE2-OG1 3.45Å; R975-T977 HydrophobicContact CB-CG2 4.11Å; R975-T977 PolarHBondContact O-N 3.3Å; T977-G979 VanDerWaalsContact C-N 3.3Å; T977-H980 WeakPolarHBondContact O-CB 3.27Å; T977-H980 PolarHBondContact O-N 3.38Å
978	V	96.2	Very high	95.8	Very high	68 Å²	68	35.7 Å²	35.7	41%	0.412	20%	0.198	S	C	.	.	H	α-helix	trans	-69	-32.8	-178.6	-177.7	0	0	0	0	110.8	M976 H980 L981 I982	M976-V978 VanDerWaalsContact C-N 3.29Å; M976-V978 PolarHBondContact O-N 3.17Å; M976-V978 VanDerWaalsContact O-N 3.13Å; V978-H980 PolarHBondContact O-N 3.17Å; V978-H980 VanDerWaalsContact O-N 3.11Å; V978-L981 WeakPolarHBondContact O-CB 3.39Å; V978-L981 PolarHBondContact O-N 2.83Å; V978-I982 HydrophobicContact CG1-CD1 4.16Å; V978-I982 HydrophobicContact CG1-CG1 4.34Å; V978-I982 PolarHBondContact O-N 3.33Å; V978-I982 VanDerWaalsContact O-N 3.12Å
979	G	95.5	Very high	95.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-52.8	-33.3	173.9	0	0	0	0	0	113.5	H716 N717 H939 T977 L981 I982 E983	H716-G979 PolarHBondContact O-N 3.33Å; N717-G979 WeakPolarHBondContact OD1-CA 3.42Å; N717-G979 PolarHBondContact OD1-N 3.17Å; H939-G979 PolarHBondContact CE1-O 3.46Å; T977-G979 VanDerWaalsContact C-N 3.3Å; G979-L981 PolarHBondContact O-N 3.1Å; G979-I982 PolarHBondContact O-N 3.49Å; G979-E983 WeakPolarHBondContact O-CB 3.37Å; G979-E983 PolarHBondContact O-N 3.04Å
980	H	97.2	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-40.6	175.2	-173.3	114.6	0	0	0	112.1	S937 H939 Q941 T977 V978 E983 C984	S937-H980 PolarHBondContact OG-ND1 3.29Å; H939-H980 HydrophobicContact CB-CB 4.13Å; H939-H980 VanDerWaalsContact CD2-CA 3.43Å; H939-H980 WeakPolarHBondContact CD2-CA 3.29Å; H939-H980 AromaticContact CD2-ND1 3.9Å; H939-H980 PolarHBondContact CE1-N 3.35Å; H939-H980 WeakPolarHBondContact NE2-CA 3.23Å; H939-H980 PolarHBondContact NE2-N 2.8Å; Q941-H980 PolarHBondContact OE1-CE1 3.3Å; Q941-H980 PolarHBondContact OE1-ND1 2.99Å; T977-H980 WeakPolarHBondContact O-CB 3.27Å; T977-H980 PolarHBondContact O-N 3.38Å; V978-H980 PolarHBondContact O-N 3.17Å; V978-H980 VanDerWaalsContact O-N 3.11Å; H980-E983 PolarHBondContact O-N 2.86Å; H980-C984 PolarHBondContact O-N 2.9Å; H980-C984 PolarHBondContact O-SG 3.18Å
981	L	96.6	Very high	95.7	Very high	53 Å²	53	28.5 Å²	28.5	28%	0.277	17%	0.17	S	C	.	.	H	α-helix	trans	-68.9	-40	177.9	-57.8	-179.8	0	0	0	111	I782 I972 V978 G979 E983 C984 L985 F1042	I782-L981 HydrophobicContact CD1-CD2 3.35Å; I972-L981 HydrophobicContact CD1-CD2 4.37Å; I972-L981 HydrophobicContact CG1-CD2 4.45Å; I972-L981 HydrophobicContact CG2-CD1 4.18Å; V978-L981 WeakPolarHBondContact O-CB 3.39Å; V978-L981 PolarHBondContact O-N 2.83Å; G979-L981 PolarHBondContact O-N 3.1Å; L981-E983 VanDerWaalsContact C-N 3.35Å; L981-C984 PolarHBondContact O-N 3.31Å; L981-L985 PolarHBondContact O-N 3.25Å; L981-L985 VanDerWaalsContact O-N 3.14Å; L981-F1042 HydrophobicContact CD2-CD1 4.43Å; L981-F1042 HydrophobicContact CD2-CE1 4.13Å; L981-F1042 WeakPolarHBondContact O-CZ 3.23Å
982	I	96.2	Very high	95.8	Very high	16 Å²	16	30.8 Å²	30.8	8%	0.082	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-40.6	176.9	-57.5	173.3	0	0	0	110	F713 H716 V978 G979 C984 L985 Q986 V1008	F713-I982 HydrophobicContact CD2-CB 4.16Å; F713-I982 HydrophobicContact CD2-CG2 3.72Å; F713-I982 HydrophobicContact CE1-CG2 4.45Å; F713-I982 HydrophobicContact CE2-CB 4.4Å; F713-I982 HydrophobicContact CE2-CG2 3.55Å; F713-I982 HydrophobicContact CG-CG2 4.25Å; F713-I982 HydrophobicContact CZ-CG2 3.95Å; H716-I982 HydrophobicContact CB-CD1 4.11Å; H716-I982 VanDerWaalsContact CD2-CD1 3.45Å; H716-I982 WeakPolarHBondContact CD2-CD1 3.25Å; V978-I982 HydrophobicContact CG1-CD1 4.16Å; V978-I982 HydrophobicContact CG1-CG1 4.34Å; V978-I982 PolarHBondContact O-N 3.33Å; V978-I982 VanDerWaalsContact O-N 3.12Å; G979-I982 PolarHBondContact O-N 3.49Å; I982-C984 VanDerWaalsContact C-N 3.34Å; I982-C984 PolarHBondContact O-N 3.45Å; I982-L985 PolarHBondContact O-N 3.16Å; I982-Q986 WeakPolarHBondContact O-CB 3.46Å; I982-Q986 PolarHBondContact O-N 3Å; I982-V1008 HydrophobicContact CD1-CG2 3.93Å; I982-V1008 HydrophobicContact CG1-CG2 4.08Å
983	E	97.2	Very high	95.9	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-56.7	-46.7	174.2	-172.6	-171.8	166	0	0	111.1	P712 V759 R938 H939 G979 H980 L981 L985 G987 T1046 Y1047	P712-E983 HydrophobicContact CG-CB 4.32Å; P712-E983 HydrophobicContact CG-CG 4.06Å; P712-E983 WeakPolarHBondContact CG-OE2 3.33Å; V759-E983 HydrophobicContact CB-CG 4.1Å; V759-E983 HydrophobicContact CG1-CG 4.31Å; V759-E983 HydrophobicContact CG2-CG 4.27Å; R938-E983 IonicContact CZ-OE1 2.67Å; R938-E983 IonicContact NE-OE1 3.41Å; R938-E983 PolarHBondContact NE-OE1 2.88Å; R938-E983 IonicContact NE-OE2 2.8Å; R938-E983 IonicContact NH2-OE1 2.78Å; R938-E983 PolarHBondContact NH2-OE1 2.87Å; R938-E983 IonicContact NH2-OE2 3.56Å; H939-E983 IonicContact CD2-OE2 3.05Å; H939-E983 PolarHBondContact CD2-OE2 3.18Å; H939-E983 IonicContact NE2-OE2 2.65Å; H939-E983 PolarHBondContact NE2-OE2 3.12Å; G979-E983 WeakPolarHBondContact O-CB 3.37Å; G979-E983 PolarHBondContact O-N 3.04Å; H980-E983 PolarHBondContact O-N 2.86Å; L981-E983 VanDerWaalsContact C-N 3.35Å; E983-L985 VanDerWaalsContact C-N 3.33Å; E983-L985 PolarHBondContact O-N 3.47Å; E983-G987 WeakPolarHBondContact O-CA 3.43Å; E983-G987 PolarHBondContact O-N 3.34Å; E983-T1046 HydrophobicContact CG-CG2 4.26Å; E983-Y1047 PolarHBondContact OE1-N 3.43Å
984	C	96.7	Very high	95.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-41.8	177.5	-63.2	0	0	0	0	112.7	H980 L981 I982 K988 F1042 T1046	H980-C984 PolarHBondContact O-N 2.9Å; H980-C984 PolarHBondContact O-SG 3.18Å; L981-C984 PolarHBondContact O-N 3.31Å; I982-C984 VanDerWaalsContact C-N 3.34Å; I982-C984 PolarHBondContact O-N 3.45Å; C984-K988 PolarHBondContact O-N 3.07Å; C984-F1042 HydrophobicContact CB-CE1 3.42Å; C984-F1042 VanDerWaalsContact CB-CE1 3.42Å; C984-F1042 HydrophobicContact CB-CZ 3.73Å; C984-T1046 PolarHBondContact SG-OG1 3.11Å
985	L	96.5	Very high	96	Very high	11 Å²	11	32.2 Å²	32.2	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-70	-49.7	-177.8	-166.7	73.4	0	0	0	111	L981 I982 E983 G987 K988 V989 V1008 V1011 L1015	L981-L985 PolarHBondContact O-N 3.25Å; L981-L985 VanDerWaalsContact O-N 3.14Å; I982-L985 PolarHBondContact O-N 3.16Å; E983-L985 VanDerWaalsContact C-N 3.33Å; E983-L985 PolarHBondContact O-N 3.47Å; L985-G987 VanDerWaalsContact C-N 3.29Å; L985-G987 PolarHBondContact O-N 2.96Å; L985-K988 PolarHBondContact O-N 3.48Å; L985-V989 PolarHBondContact O-N 2.88Å; L985-V989 VanDerWaalsContact O-N 3.14Å; L985-V1008 HydrophobicContact CD2-CG1 4.37Å; L985-V1011 HydrophobicContact CB-CG1 4.37Å; L985-V1011 HydrophobicContact CD2-CB 4.25Å; L985-V1011 HydrophobicContact CD2-CG1 3.85Å; L985-V1011 HydrophobicContact CG-CG1 3.77Å; L985-L1015 HydrophobicContact CD1-CD2 3.45Å; L985-L1015 VanDerWaalsContact CD1-CD2 3.45Å; L985-L1015 HydrophobicContact CG-CD2 4.43Å
986	Q	96.1	Very high	96.1	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-41.1	175.8	-178.4	58	44.5	0	0	110.7	F713 V759 I982 K988 V989 S990	F713-Q986 HydrophobicContact CE2-CB 4.48Å; V759-Q986 HydrophobicContact CG1-CB 4.39Å; V759-Q986 HydrophobicContact CG1-CG 4.03Å; V759-Q986 HydrophobicContact CG2-CB 4.06Å; V759-Q986 HydrophobicContact CG2-CG 3.91Å; I982-Q986 WeakPolarHBondContact O-CB 3.46Å; I982-Q986 PolarHBondContact O-N 3Å; Q986-K988 VanDerWaalsContact C-N 3.31Å; Q986-K988 PolarHBondContact O-N 2.91Å; Q986-V989 PolarHBondContact O-N 2.84Å; Q986-S990 PolarHBondContact NE2-OG 3.37Å; Q986-S990 VanDerWaalsContact NE2-OG 3.13Å; Q986-S990 VanDerWaalsContact O-CB 3.27Å; Q986-S990 WeakPolarHBondContact O-CB 3.5Å; Q986-S990 PolarHBondContact O-N 3Å; Q986-S990 PolarHBondContact O-OG 3.16Å
987	G	96.6	Very high	96	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-40.2	177.4	0	0	0	0	0	112.1	V759 E983 L985 S990 A991 P1045	V759-G987 VanDerWaalsContact CG2-CA 3.42Å; V759-G987 VanDerWaalsContact CG2-N 3.33Å; E983-G987 WeakPolarHBondContact O-CA 3.43Å; E983-G987 PolarHBondContact O-N 3.34Å; L985-G987 VanDerWaalsContact C-N 3.29Å; L985-G987 PolarHBondContact O-N 2.96Å; G987-S990 PolarHBondContact O-N 2.95Å; G987-A991 WeakPolarHBondContact O-CB 3.25Å; G987-A991 PolarHBondContact O-N 2.86Å; G987-P1045 WeakPolarHBondContact O-CG 3.34Å
988	K	96.5	Very high	96	Very high	11 Å²	11	29.5 Å²	29.5	5%	0.048	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-46.9	176.4	-172.9	176.4	-67.2	-172.9	0	111.6	C984 L985 Q986 S990 A991 N992 L1015 Y1020 G1024 E1026 L1043	C984-K988 PolarHBondContact O-N 3.07Å; L985-K988 PolarHBondContact O-N 3.48Å; Q986-K988 VanDerWaalsContact C-N 3.31Å; Q986-K988 PolarHBondContact O-N 2.91Å; K988-S990 VanDerWaalsContact C-N 3.34Å; K988-S990 PolarHBondContact O-N 2.9Å; K988-A991 PolarHBondContact O-N 2.84Å; K988-N992 WeakPolarHBondContact O-CB 3.47Å; K988-N992 PolarHBondContact O-N 2.79Å; K988-N992 VanDerWaalsContact O-N 3.08Å; K988-N992 PolarHBondContact O-ND2 2.78Å; K988-L1015 HydrophobicContact CB-CD1 4.46Å; K988-L1015 HydrophobicContact CD-CD1 3.71Å; K988-L1015 HydrophobicContact CD-CD2 4.15Å; K988-L1015 HydrophobicContact CG-CD1 3.83Å; K988-Y1020 HydrophobicContact CD-CD1 4.46Å; K988-G1024 PolarHBondContact NZ-O 3.35Å; K988-G1024 VanDerWaalsContact NZ-O 3.1Å; K988-E1026 IonicContact NZ-OE1 2.66Å; K988-E1026 PolarHBondContact NZ-OE1 2.95Å; K988-L1043 WeakPolarHBondContact CE-O 3.41Å; K988-L1043 PolarHBondContact NZ-O 3.12Å
989	V	96.5	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-46	175.1	174.5	0	0	0	0	110.8	L985 Q986 A991 N992 K993 V1011 L1014 L1015	L985-V989 PolarHBondContact O-N 2.88Å; L985-V989 VanDerWaalsContact O-N 3.14Å; Q986-V989 PolarHBondContact O-N 2.84Å; V989-A991 PolarHBondContact O-N 2.67Å; V989-N992 PolarHBondContact O-N 3.33Å; V989-K993 WeakPolarHBondContact O-CB 3.43Å; V989-K993 PolarHBondContact O-N 2.68Å; V989-V1011 HydrophobicContact CB-CG1 4.42Å; V989-V1011 HydrophobicContact CG2-CG1 3.73Å; V989-L1014 HydrophobicContact CG1-CB 4.04Å; V989-L1014 HydrophobicContact CG1-CD1 4.32Å; V989-L1015 HydrophobicContact CG2-CB 3.73Å; V989-L1015 HydrophobicContact CG2-CD1 4.07Å; V989-L1015 HydrophobicContact CG2-CG 4.4Å
990	S	96.3	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-46.1	-178.8	-55.8	0	0	0	0	111.5	Q986 G987 K988 N992 G994 E995 G997	Q986-S990 PolarHBondContact NE2-OG 3.37Å; Q986-S990 VanDerWaalsContact NE2-OG 3.13Å; Q986-S990 VanDerWaalsContact O-CB 3.27Å; Q986-S990 WeakPolarHBondContact O-CB 3.5Å; Q986-S990 PolarHBondContact O-N 3Å; Q986-S990 PolarHBondContact O-OG 3.16Å; G987-S990 PolarHBondContact O-N 2.95Å; K988-S990 VanDerWaalsContact C-N 3.34Å; K988-S990 PolarHBondContact O-N 2.9Å; S990-N992 PolarHBondContact O-N 2.86Å; S990-G994 PolarHBondContact O-N 3.29Å; S990-E995 CarbonylContact C-O 3.56Å; S990-E995 WeakPolarHBondContact CA-O 3.46Å; S990-E995 WeakPolarHBondContact CB-O 3.18Å; S990-E995 PolarHBondContact O-N 2.97Å; S990-G997 VanDerWaalsContact OG-CA 3.27Å; S990-G997 WeakPolarHBondContact OG-CA 2.91Å; S990-G997 PolarHBondContact OG-N 2.89Å
991	A	96.4	Very high	95.8	Very high	51 Å²	51	26.7 Å²	26.7	42%	0.421	16%	0.159	S	C	.	.	H	α-helix	trans	-63.3	-41.2	177.4	0	0	0	0	0	112.8	L758 G987 K988 V989 P1045	L758-A991 HydrophobicContact CD1-CB 4.21Å; G987-A991 WeakPolarHBondContact O-CB 3.25Å; G987-A991 PolarHBondContact O-N 2.86Å; K988-A991 PolarHBondContact O-N 2.84Å; V989-A991 PolarHBondContact O-N 2.67Å; A991-P1045 HydrophobicContact CB-CG 4.45Å
992	N	95.9	Very high	95.5	Very high	64 Å²	64	29 Å²	29	34%	0.342	17%	0.167	S	C	.	.	H	α-helix	trans	-76.5	-38.4	-178.9	-72.9	-23	0	0	0	113.1	K988 V989 S990 G994 Y1018 Y1020	K988-N992 WeakPolarHBondContact O-CB 3.47Å; K988-N992 PolarHBondContact O-N 2.79Å; K988-N992 VanDerWaalsContact O-N 3.08Å; K988-N992 PolarHBondContact O-ND2 2.78Å; V989-N992 PolarHBondContact O-N 3.33Å; S990-N992 PolarHBondContact O-N 2.86Å; N992-G994 VanDerWaalsContact C-N 3.32Å; N992-Y1018 HydrophobicContact CB-CD1 4.49Å; N992-Y1018 HydrophobicContact CB-CG 4.39Å; N992-Y1020 WeakPolarHBondContact ND2-CE2 3.44Å
993	K	96.2	Very high	94.8	Very high	86 Å²	86	29.4 Å²	29.4	37%	0.374	17%	0.169	S	C	.	.	H	α-helix	trans	-74.6	-23.7	177	-176.9	163.8	171.9	-154	0	112.5	V989 E995 Y1018	V989-K993 WeakPolarHBondContact O-CB 3.43Å; V989-K993 PolarHBondContact O-N 2.68Å; K993-E995 HydrophobicContact CB-CG 4.27Å; K993-E995 VanDerWaalsContact CD-CD 3.44Å; K993-E995 HydrophobicContact CD-CG 4.01Å; K993-E995 VanDerWaalsContact CD-OE1 3.23Å; K993-E995 WeakPolarHBondContact CD-OE1 2.91Å; K993-E995 VanDerWaalsContact CE-OE1 3.27Å; K993-E995 WeakPolarHBondContact CE-OE1 3.33Å; K993-E995 WeakPolarHBondContact CE-OE2 3.37Å; K993-E995 HydrophobicContact CG-CG 3.96Å; K993-E995 IonicContact NZ-OE1 3.39Å; K993-E995 PolarHBondContact NZ-OE1 3.1Å; K993-E995 IonicContact NZ-OE2 3.35Å; K993-E995 PolarHBondContact NZ-OE2 3.12Å; K993-Y1018 HydrophobicContact CB-CE2 4.08Å; K993-Y1018 WeakPolarHBondContact CB-OH 3.35Å; K993-Y1018 WeakPolarHBondContact CG-OH 3.48Å
994	G	94.7	Very high	93.6	Very high	72 Å²	72	36.5 Å²	36.5	74%	0.742	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	16.2	-178.3	0	0	0	0	0	114.1	S990 N992	S990-G994 PolarHBondContact O-N 3.29Å; N992-G994 VanDerWaalsContact C-N 3.32Å
995	E	94.9	Very high	92.2	Very high	79 Å²	79	38.4 Å²	38.4	37%	0.369	22%	0.223	S	C	.	.	S	Bend	trans	-112.9	161.5	176.8	71.7	-177.5	-174.6	0	0	111.4	S990 K993	S990-E995 CarbonylContact C-O 3.56Å; S990-E995 WeakPolarHBondContact CA-O 3.46Å; S990-E995 WeakPolarHBondContact CB-O 3.18Å; S990-E995 PolarHBondContact O-N 2.97Å; K993-E995 HydrophobicContact CB-CG 4.27Å; K993-E995 VanDerWaalsContact CD-CD 3.44Å; K993-E995 HydrophobicContact CD-CG 4.01Å; K993-E995 VanDerWaalsContact CD-OE1 3.23Å; K993-E995 WeakPolarHBondContact CD-OE1 2.91Å; K993-E995 VanDerWaalsContact CE-OE1 3.27Å; K993-E995 WeakPolarHBondContact CE-OE1 3.33Å; K993-E995 WeakPolarHBondContact CE-OE2 3.37Å; K993-E995 HydrophobicContact CG-CG 3.96Å; K993-E995 IonicContact NZ-OE1 3.39Å; K993-E995 PolarHBondContact NZ-OE1 3.1Å; K993-E995 IonicContact NZ-OE2 3.35Å; K993-E995 PolarHBondContact NZ-OE2 3.12Å
996	I	95.6	Very high	91.2	Very high	56 Å²	56	39.8 Å²	39.8	29%	0.287	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-86.7	128.3	172.3	-59.8	-61.2	0	0	0	108.1	L758 T760	L758-I996 HydrophobicContact CD2-CD1 4.47Å; L758-I996 WeakPolarHBondContact O-CG2 3.42Å; T760-I996 HydrophobicContact CG2-CG2 3.45Å; T760-I996 VanDerWaalsContact CG2-CG2 3.45Å
997	G	93.5	Very high	90.6	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.8	-179.3	0	0	0	0	0	112.5	L758 V759 T760 S990	L758-G997 PolarHBondContact O-N 3.39Å; V759-G997 WeakPolarHBondContact CA-O 3.34Å; T760-G997 PolarHBondContact N-O 2.88Å; S990-G997 VanDerWaalsContact OG-CA 3.27Å; S990-G997 WeakPolarHBondContact OG-CA 2.91Å; S990-G997 PolarHBondContact OG-N 2.89Å
998	D	94.2	Very high	90.3	Very high	35 Å²	35	46 Å²	46	19%	0.187	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.1	171.6	-167.7	-4.1	0	0	0	110.4	R762 T1000	R762-D998 IonicContact CZ-OD2 2.91Å; R762-D998 IonicContact NE-OD2 3.92Å; R762-D998 PolarHBondContact NE-OD2 3.3Å; R762-D998 VanDerWaalsContact NE-OD2 3.15Å; R762-D998 IonicContact NH2-OD2 3.85Å; D998-T1000 WeakPolarHBondContact OD1-CB 3.49Å; D998-T1000 PolarHBondContact OD1-N 3Å; D998-T1000 PolarHBondContact OD1-OG1 3.45Å
999	A	95.6	Very high	90.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.284	C	S	.	.			trans	-131.9	25.1	176.6	0	0	0	0	0	113.2	P712 F713 V759 T760	P712-A999 HydrophobicContact CB-CB 3.54Å; F713-A999 HydrophobicContact CD1-CB 4.24Å; F713-A999 HydrophobicContact CD2-CB 3.74Å; F713-A999 HydrophobicContact CE1-CB 3.9Å; F713-A999 HydrophobicContact CE2-CB 3.35Å; F713-A999 HydrophobicContact CG-CB 4.17Å; F713-A999 HydrophobicContact CZ-CB 3.44Å; F713-A999 VanDerWaalsContact CZ-CB 3.44Å; F713-A999 PolarHBondContact N-O 3.34Å; F713-A999 VanDerWaalsContact N-O 3.12Å; V759-A999 HydrophobicContact CG1-CB 3.35Å; T760-A999 PolarHBondContact O-N 2.84Å
1000	T	95	Very high	89.9	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.031	31%	0.307	C	S	.	.			trans	-55.6	132.3	172.2	-59.8	0	0	0	0	110.1	W27 R762 D998	W27-T1000 HydrophobicContact CH2-CG2 4.13Å; W27-T1000 HydrophobicContact CZ2-CG2 3.56Å; R762-T1000 PolarHBondContact N-OG1 3.01Å; D998-T1000 WeakPolarHBondContact OD1-CB 3.49Å; D998-T1000 PolarHBondContact OD1-N 3Å; D998-T1000 PolarHBondContact OD1-OG1 3.45Å
1001	P	93.9	Very high	89.7	Confident	3 Å²	3	55 Å²	55	2%	0.019	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	155.1	178.6	26.7	-33	0	0	0	111.7	L704 P714 N1003	L704-P1001 HydrophobicContact CD1-CG 4.04Å; P714-P1001 HydrophobicContact CG-CB 3.78Å; P714-P1001 HydrophobicContact CG-CG 4.01Å; P1001-N1003 VanDerWaalsContact C-N 3.29Å; P1001-N1003 PolarHBondContact O-N 2.91Å
1002	F	90.5	Very high	89.6	Confident	103 Å²	103	52.6 Å²	52.6	45%	0.452	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	33.5	177.1	-42.1	-68.7	0	0	0	113.9	P700 I703 D715	P700-F1002 HydrophobicContact CB-CB 4.4Å; P700-F1002 HydrophobicContact CB-CD2 3.74Å; P700-F1002 HydrophobicContact CB-CE2 4.29Å; P700-F1002 HydrophobicContact CB-CG 4.22Å; I703-F1002 HydrophobicContact CD1-CE2 4.45Å; D715-F1002 HydrophobicContact CB-CD1 4.49Å; D715-F1002 HydrophobicContact CB-CE1 4.12Å; D715-F1002 PolarHBondContact OD2-N 3.17Å; D715-F1002 VanDerWaalsContact OD2-N 3.17Å
1003	N	82.3	Confident	89.6	Confident	23 Å²	23	53.5 Å²	53.5	12%	0.123	29%	0.293	C	S	.	.			trans	-103.5	121.3	174.6	-172.4	-2.3	0	0	0	110.8	Q23 P1001 A1005	Q23-N1003 PolarHBondContact NE2-OD1 2.9Å; Q23-N1003 PolarHBondContact OE1-OD1 2.86Å; P1001-N1003 VanDerWaalsContact C-N 3.29Å; P1001-N1003 PolarHBondContact O-N 2.91Å; N1003-A1005 VanDerWaalsContact C-N 3.34Å; N1003-A1005 WeakPolarHBondContact OD1-CB 3.47Å; N1003-A1005 PolarHBondContact OD1-N 3.05Å
1004	D	72.1	Confident	89.5	Confident	152 Å²	152	51.4 Å²	51.4	81%	0.813	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.7	175.5	-64.4	-39.4	0	0	0	113.4	V1006	D1004-V1006 VanDerWaalsContact C-N 3.27Å; D1004-V1006 PolarHBondContact O-N 3.37Å
1005	A	67.9	Low	89.5	Confident	40 Å²	40	48 Å²	48	33%	0.331	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-19	-176.8	0	0	0	0	0	113.7	N1003 K1010	N1003-A1005 VanDerWaalsContact C-N 3.34Å; N1003-A1005 WeakPolarHBondContact OD1-CB 3.47Å; N1003-A1005 PolarHBondContact OD1-N 3.05Å; A1005-K1010 WeakPolarHBondContact O-CD 3.16Å; A1005-K1010 PolarHBondContact O-NZ 2.83Å
1006	V	74.3	Confident	89.6	Confident	41 Å²	41	47.2 Å²	47.2	25%	0.248	25%	0.254	C	S	.	.			trans	-122.2	91.8	-178.8	-175.9	0	0	0	0	109.7	F713 D1004 V1011	F713-V1006 HydrophobicContact CE1-CG1 4.45Å; F713-V1006 HydrophobicContact CZ-CG1 4.38Å; D1004-V1006 VanDerWaalsContact C-N 3.27Å; D1004-V1006 PolarHBondContact O-N 3.37Å; V1006-V1011 HydrophobicContact CG1-CG2 4.05Å
1007	N	83.1	Confident	89.6	Confident	83 Å²	83	51.5 Å²	51.5	44%	0.444	27%	0.272	S	S	.	.			trans	-103.3	156.4	171.5	68.3	35.3	0	0	0	111.3	Q1009 K1010 V1011	N1007-Q1009 PolarHBondContact O-N 3.27Å; N1007-Q1009 VanDerWaalsContact O-N 3.11Å; N1007-Q1009 PolarHBondContact OD1-N 3.13Å; N1007-K1010 PolarHBondContact O-N 2.99Å; N1007-K1010 VanDerWaalsContact O-N 3.16Å; N1007-K1010 WeakPolarHBondContact OD1-CB 3.4Å; N1007-K1010 PolarHBondContact OD1-N 3.31Å; N1007-V1011 WeakPolarHBondContact O-CG2 3.44Å; N1007-V1011 PolarHBondContact O-N 3.36Å
1008	V	90.4	Very high	89.6	Confident	59 Å²	59	56 Å²	56	36%	0.358	29%	0.29	S	S	.	.	H	α-helix	trans	-56.2	-32.3	-179.9	178.8	0	0	0	0	111.7	I982 L985 S1012	I982-V1008 HydrophobicContact CD1-CG2 3.93Å; I982-V1008 HydrophobicContact CG1-CG2 4.08Å; L985-V1008 HydrophobicContact CD2-CG1 4.37Å; V1008-S1012 WeakPolarHBondContact O-CB 3.42Å; V1008-S1012 PolarHBondContact O-N 3.19Å; V1008-S1012 PolarHBondContact O-OG 3.29Å
1009	Q	92.8	Very high	89.7	Confident	86 Å²	86	57.8 Å²	57.8	40%	0.402	32%	0.317	S	S	.	.	H	α-helix	trans	-69.8	-40.4	-178.5	-168.2	57.9	36.3	0	0	112.6	N1007 S1012 N1013 R1023	N1007-Q1009 PolarHBondContact O-N 3.27Å; N1007-Q1009 VanDerWaalsContact O-N 3.11Å; N1007-Q1009 PolarHBondContact OD1-N 3.13Å; Q1009-S1012 WeakPolarHBondContact O-CB 3.35Å; Q1009-S1012 PolarHBondContact O-N 3.46Å; Q1009-N1013 PolarHBondContact NE2-OD1 2.93Å; Q1009-N1013 VanDerWaalsContact NE2-OD1 3.08Å; Q1009-N1013 VanDerWaalsContact O-CG 3.22Å; Q1009-N1013 PolarHBondContact O-N 2.95Å; Q1009-N1013 PolarHBondContact O-OD1 3.03Å; Q1009-R1023 VanDerWaalsContact OE1-NH2 3.08Å
1010	K	91.5	Very high	89.7	Confident	111 Å²	111	60.4 Å²	60.4	48%	0.483	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-44.8	176.6	-173.3	174.9	179.2	-179.7	0	110.3	A1005 N1007 S1012 N1013 L1014	A1005-K1010 WeakPolarHBondContact O-CD 3.16Å; A1005-K1010 PolarHBondContact O-NZ 2.83Å; N1007-K1010 PolarHBondContact O-N 2.99Å; N1007-K1010 VanDerWaalsContact O-N 3.16Å; N1007-K1010 WeakPolarHBondContact OD1-CB 3.4Å; N1007-K1010 PolarHBondContact OD1-N 3.31Å; K1010-S1012 VanDerWaalsContact C-N 3.32Å; K1010-S1012 PolarHBondContact O-N 3.41Å; K1010-N1013 PolarHBondContact O-N 3.35Å; K1010-L1014 WeakPolarHBondContact O-CG 3.45Å; K1010-L1014 PolarHBondContact O-N 2.83Å
1011	V	92.9	Very high	89.7	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.024	35%	0.347	C	S	.	.	H	α-helix	trans	-60.6	-42.7	173.8	-174.7	0	0	0	0	110.9	L985 V989 V1006 N1007 L1014 L1015	L985-V1011 HydrophobicContact CB-CG1 4.37Å; L985-V1011 HydrophobicContact CD2-CB 4.25Å; L985-V1011 HydrophobicContact CD2-CG1 3.85Å; L985-V1011 HydrophobicContact CG-CG1 3.77Å; V989-V1011 HydrophobicContact CB-CG1 4.42Å; V989-V1011 HydrophobicContact CG2-CG1 3.73Å; V1006-V1011 HydrophobicContact CG1-CG2 4.05Å; N1007-V1011 WeakPolarHBondContact O-CG2 3.44Å; N1007-V1011 PolarHBondContact O-N 3.36Å; V1011-L1014 PolarHBondContact O-N 2.9Å; V1011-L1015 WeakPolarHBondContact O-CB 3.24Å; V1011-L1015 PolarHBondContact O-N 3.42Å
1012	S	94.6	Very high	89.8	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-41.4	176.6	-82.1	0	0	0	0	113.5	V1008 Q1009 K1010 L1015 S1016 L1022 R1023	V1008-S1012 WeakPolarHBondContact O-CB 3.42Å; V1008-S1012 PolarHBondContact O-N 3.19Å; V1008-S1012 PolarHBondContact O-OG 3.29Å; Q1009-S1012 WeakPolarHBondContact O-CB 3.35Å; Q1009-S1012 PolarHBondContact O-N 3.46Å; K1010-S1012 VanDerWaalsContact C-N 3.32Å; K1010-S1012 PolarHBondContact O-N 3.41Å; S1012-L1015 PolarHBondContact O-N 2.85Å; S1012-S1016 PolarHBondContact O-N 3.4Å; S1012-S1016 VanDerWaalsContact O-N 3.12Å; S1012-L1022 VanDerWaalsContact CA-O 3.24Å; S1012-L1022 WeakPolarHBondContact CA-O 3.45Å; S1012-L1022 WeakPolarHBondContact CB-O 3.16Å; S1012-L1022 PolarHBondContact OG-O 3.11Å; S1012-R1023 PolarHBondContact OG-NH1 3.02Å
1013	N	95.4	Very high	90	Very high	83 Å²	83	67.6 Å²	67.6	44%	0.444	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-47.6	178	-67.9	-7.3	0	0	0	110.7	Q1009 K1010 L1015 S1016 E1017	Q1009-N1013 PolarHBondContact NE2-OD1 2.93Å; Q1009-N1013 VanDerWaalsContact NE2-OD1 3.08Å; Q1009-N1013 VanDerWaalsContact O-CG 3.22Å; Q1009-N1013 PolarHBondContact O-N 2.95Å; Q1009-N1013 PolarHBondContact O-OD1 3.03Å; K1010-N1013 PolarHBondContact O-N 3.35Å; N1013-L1015 VanDerWaalsContact C-N 3.29Å; N1013-L1015 PolarHBondContact O-N 3.3Å; N1013-S1016 WeakPolarHBondContact O-CB 3.36Å; N1013-S1016 PolarHBondContact O-N 3.21Å; N1013-E1017 PolarHBondContact O-N 3.05Å; N1013-E1017 VanDerWaalsContact O-N 3.09Å
1014	L	94.6	Very high	90.6	Very high	43 Å²	43	66.6 Å²	66.6	23%	0.225	35%	0.353	C	S	.	.	H	α-helix	trans	-57.3	-42.7	175.4	-70.8	171.4	0	0	0	111.6	V989 K1010 V1011 S1016 E1017 Y1018	V989-L1014 HydrophobicContact CG1-CB 4.04Å; V989-L1014 HydrophobicContact CG1-CD1 4.32Å; K1010-L1014 WeakPolarHBondContact O-CG 3.45Å; K1010-L1014 PolarHBondContact O-N 2.83Å; V1011-L1014 PolarHBondContact O-N 2.9Å; L1014-S1016 VanDerWaalsContact C-N 3.28Å; L1014-S1016 PolarHBondContact O-N 3.36Å; L1014-E1017 WeakPolarHBondContact O-CB 3.44Å; L1014-E1017 PolarHBondContact O-N 3.38Å; L1014-Y1018 WeakPolarHBondContact O-CD2 2.93Å; L1014-Y1018 PolarHBondContact O-N 3.35Å
1015	L	94.9	Very high	91.8	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-35.5	178.3	-173.5	59.6	0	0	0	112.6	L985 K988 V989 V1011 S1012 N1013 E1017 Y1018 Y1020 H1021	L985-L1015 HydrophobicContact CD1-CD2 3.45Å; L985-L1015 VanDerWaalsContact CD1-CD2 3.45Å; L985-L1015 HydrophobicContact CG-CD2 4.43Å; K988-L1015 HydrophobicContact CB-CD1 4.46Å; K988-L1015 HydrophobicContact CD-CD1 3.71Å; K988-L1015 HydrophobicContact CD-CD2 4.15Å; K988-L1015 HydrophobicContact CG-CD1 3.83Å; V989-L1015 HydrophobicContact CG2-CB 3.73Å; V989-L1015 HydrophobicContact CG2-CD1 4.07Å; V989-L1015 HydrophobicContact CG2-CG 4.4Å; V1011-L1015 WeakPolarHBondContact O-CB 3.24Å; V1011-L1015 PolarHBondContact O-N 3.42Å; S1012-L1015 PolarHBondContact O-N 2.85Å; N1013-L1015 VanDerWaalsContact C-N 3.29Å; N1013-L1015 PolarHBondContact O-N 3.3Å; L1015-E1017 VanDerWaalsContact C-N 3.35Å; L1015-Y1018 PolarHBondContact O-N 3.41Å; L1015-Y1020 HydrophobicContact CD1-CD2 4.09Å; L1015-Y1020 HydrophobicContact CD1-CG 4.1Å; L1015-Y1020 PolarHBondContact O-N 3.39Å; L1015-H1021 WeakPolarHBondContact CD2-O 3.43Å
1016	S	95.8	Very high	93.2	Very high	63 Å²	63	61.2 Å²	61.2	44%	0.441	32%	0.318	S	S	.	.	H	α-helix	trans	-67.9	-34.4	176.2	-167.1	0	0	0	0	112.4	S1012 N1013 L1014 Y1018 G1019	S1012-S1016 PolarHBondContact O-N 3.4Å; S1012-S1016 VanDerWaalsContact O-N 3.12Å; N1013-S1016 WeakPolarHBondContact O-CB 3.36Å; N1013-S1016 PolarHBondContact O-N 3.21Å; L1014-S1016 VanDerWaalsContact C-N 3.28Å; L1014-S1016 PolarHBondContact O-N 3.36Å; S1016-Y1018 PolarHBondContact O-N 3.21Å; S1016-G1019 PolarHBondContact O-N 3.09Å
1017	E	95.9	Very high	94.3	Very high	145 Å²	145	62.3 Å²	62.3	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-62	-32.6	175.5	-68.6	169	-168.2	0	0	111.8	N1013 L1014 L1015 G1019	N1013-E1017 PolarHBondContact O-N 3.05Å; N1013-E1017 VanDerWaalsContact O-N 3.09Å; L1014-E1017 WeakPolarHBondContact O-CB 3.44Å; L1014-E1017 PolarHBondContact O-N 3.38Å; L1015-E1017 VanDerWaalsContact C-N 3.35Å; E1017-G1019 PolarHBondContact O-N 3.48Å
1018	Y	94.8	Very high	95	Very high	97 Å²	97	58.4 Å²	58.4	38%	0.38	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	8.6	174.2	-71	-73.7	0	0	0	114.3	N992 K993 L1014 L1015 S1016 Y1020	N992-Y1018 HydrophobicContact CB-CD1 4.49Å; N992-Y1018 HydrophobicContact CB-CG 4.39Å; K993-Y1018 HydrophobicContact CB-CE2 4.08Å; K993-Y1018 WeakPolarHBondContact CB-OH 3.35Å; K993-Y1018 WeakPolarHBondContact CG-OH 3.48Å; L1014-Y1018 WeakPolarHBondContact O-CD2 2.93Å; L1014-Y1018 PolarHBondContact O-N 3.35Å; L1015-Y1018 PolarHBondContact O-N 3.41Å; S1016-Y1018 PolarHBondContact O-N 3.21Å; Y1018-Y1020 WeakPolarHBondContact O-CD2 3.49Å; Y1018-Y1020 PolarHBondContact O-N 3.37Å
1019	G	94.6	Very high	95.3	Very high	73 Å²	73	58 Å²	58	75%	0.753	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	11.7	173.9	0	0	0	0	0	115.5	S1016 E1017	S1016-G1019 PolarHBondContact O-N 3.09Å; E1017-G1019 PolarHBondContact O-N 3.48Å
1020	Y	95.4	Very high	95.5	Very high	55 Å²	55	56 Å²	56	22%	0.216	29%	0.288	C	S	.	.	S	Bend	trans	-93.9	164.5	172.5	-69.1	-90.1	0	0	0	111.3	K988 N992 L1015 Y1018 L1022	K988-Y1020 HydrophobicContact CD-CD1 4.46Å; N992-Y1020 WeakPolarHBondContact ND2-CE2 3.44Å; L1015-Y1020 HydrophobicContact CD1-CD2 4.09Å; L1015-Y1020 HydrophobicContact CD1-CG 4.1Å; L1015-Y1020 PolarHBondContact O-N 3.39Å; Y1018-Y1020 WeakPolarHBondContact O-CD2 3.49Å; Y1018-Y1020 PolarHBondContact O-N 3.37Å; Y1020-L1022 PolarHBondContact O-N 3.06Å
1021	H	96.4	Very high	95.7	Very high	97 Å²	97	51.6 Å²	51.6	45%	0.449	27%	0.274	S	S	.	.			trans	-63.6	128.6	169.8	-172.3	-89.1	0	0	0	110	L1015 R1023 G1024 N1025	L1015-H1021 WeakPolarHBondContact CD2-O 3.43Å; H1021-R1023 PolarHBondContact ND1-N 3.4Å; H1021-R1023 PolarHBondContact O-N 3.12Å; H1021-G1024 PolarHBondContact O-N 3.34Å; H1021-N1025 WeakPolarHBondContact CB-O 3.33Å
1022	L	95.1	Very high	95.9	Very high	60 Å²	60	56.1 Å²	56.1	31%	0.314	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-23.3	-173	69.4	116.9	0	0	0	115.4	S1012 Y1020	S1012-L1022 VanDerWaalsContact CA-O 3.24Å; S1012-L1022 WeakPolarHBondContact CA-O 3.45Å; S1012-L1022 WeakPolarHBondContact CB-O 3.16Å; S1012-L1022 PolarHBondContact OG-O 3.11Å; Y1020-L1022 PolarHBondContact O-N 3.06Å
1023	R	94.8	Very high	96	Very high	105 Å²	105	60.9 Å²	60.9	40%	0.396	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	10.9	177.8	-58.1	-59.2	-174.7	-164.6	-0.1	114.3	Q1009 S1012 H1021 N1025 F1042	Q1009-R1023 VanDerWaalsContact OE1-NH2 3.08Å; S1012-R1023 PolarHBondContact OG-NH1 3.02Å; H1021-R1023 PolarHBondContact ND1-N 3.4Å; H1021-R1023 PolarHBondContact O-N 3.12Å; R1023-N1025 VanDerWaalsContact C-N 3.32Å; R1023-N1025 PolarHBondContact O-N 3.44Å; R1023-F1042 WeakPolarHBondContact O-CD2 3.37Å; R1023-F1042 VanDerWaalsContact O-CE2 3.23Å; R1023-F1042 WeakPolarHBondContact O-CE2 2.96Å
1024	G	94.5	Very high	95.9	Very high	1 Å²	1	59 Å²	59	1%	0.01	32%	0.323	C	S	.	.	S	Bend	trans	80.1	0.7	175.1	0	0	0	0	0	116.5	K988 H1021 L1043	K988-G1024 PolarHBondContact NZ-O 3.35Å; K988-G1024 VanDerWaalsContact NZ-O 3.1Å; H1021-G1024 PolarHBondContact O-N 3.34Å; G1024-L1043 PolarHBondContact O-N 2.96Å
1025	N	97.4	Very high	96	Very high	55 Å²	55	65.9 Å²	65.9	29%	0.294	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	138.4	176	-68.6	-25.4	0	0	0	112	H1021 R1023 Q1040 I1041	H1021-N1025 WeakPolarHBondContact CB-O 3.33Å; R1023-N1025 VanDerWaalsContact C-N 3.32Å; R1023-N1025 PolarHBondContact O-N 3.44Å; N1025-Q1040 HydrophobicContact CB-CB 3.99Å; N1025-I1041 WeakPolarHBondContact CA-O 3.45Å
1026	E	97	Very high	96.2	Very high	24 Å²	24	71.8 Å²	71.8	11%	0.112	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156	178.1	-71.5	178.1	-147.8	0	0	111.7	T957 K988 L1028 Q1040 I1041 L1043	T957-E1026 WeakPolarHBondContact CG2-OE2 3.41Å; K988-E1026 IonicContact NZ-OE1 2.66Å; K988-E1026 PolarHBondContact NZ-OE1 2.95Å; E1026-L1028 HydrophobicContact CB-CD1 3.83Å; E1026-L1028 PolarHBondContact O-N 3.47Å; E1026-Q1040 WeakPolarHBondContact O-CA 3.2Å; E1026-Q1040 WeakPolarHBondContact O-CB 3.49Å; E1026-I1041 PolarHBondContact N-O 3.27Å; E1026-I1041 PolarHBondContact O-N 3.34Å; E1026-L1043 WeakPolarHBondContact OE2-CD2 3.47Å
1027	V	97.8	Very high	96.2	Very high	64 Å²	64	71.2 Å²	71.2	39%	0.388	36%	0.363	S	S	.	.			trans	-82.4	113.1	173.5	179.9	0	0	0	0	108.3	K1036 Q1040	V1027-K1036 HydrophobicContact CG1-CD 4.23Å; V1027-K1036 HydrophobicContact CG1-CG 4.27Å; V1027-Q1040 HydrophobicContact CG2-CG 4.28Å
1028	L	97.8	Very high	96.3	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.01	37%	0.369	C	S	.	.			trans	-104.1	150.8	174.9	-83.1	66.1	0	0	0	111	P955 F956 T957 E1026 I1037 I1041	P955-L1028 HydrophobicContact CB-CB 4.49Å; P955-L1028 HydrophobicContact CB-CD2 4.13Å; P955-L1028 HydrophobicContact CG-CD2 4.32Å; F956-L1028 CarbonylContact O-C 3.49Å; F956-L1028 WeakPolarHBondContact O-CA 3.13Å; T957-L1028 HydrophobicContact CG2-CD1 4.02Å; T957-L1028 HydrophobicContact CG2-CG 4.27Å; E1026-L1028 HydrophobicContact CB-CD1 3.83Å; E1026-L1028 PolarHBondContact O-N 3.47Å; L1028-I1037 HydrophobicContact CB-CD1 4.21Å; L1028-I1037 PolarHBondContact O-N 2.66Å; L1028-I1041 HydrophobicContact CB-CG1 4.27Å; L1028-I1041 HydrophobicContact CD1-CB 4.02Å; L1028-I1041 HydrophobicContact CD2-CB 4.05Å; L1028-I1041 HydrophobicContact CD2-CG1 4.26Å; L1028-I1041 HydrophobicContact CD2-CG2 4.18Å; L1028-I1041 HydrophobicContact CG-CB 4.45Å
1029	Y	97.8	Very high	96.4	Very high	51 Å²	51	69.5 Å²	69.5	20%	0.2	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-107	144	175.3	-58.2	-99.7	0	0	0	109.3	P955 F956 G1031 G1034 K1036	P955-Y1029 WeakPolarHBondContact CA-O 3.45Å; P955-Y1029 WeakPolarHBondContact CB-O 3.43Å; F956-Y1029 HydrophobicContact CD2-CD2 4.27Å; F956-Y1029 HydrophobicContact CE2-CD2 4.01Å; F956-Y1029 HydrophobicContact CE2-CG 4.04Å; F956-Y1029 HydrophobicContact CZ-CG 4.14Å; F956-Y1029 PolarHBondContact N-O 3.08Å; F956-Y1029 VanDerWaalsContact N-O 3.12Å; F956-Y1029 WeakPolarHBondContact O-CD2 3.42Å; F956-Y1029 PolarHBondContact O-N 2.84Å; Y1029-G1031 PolarHBondContact O-N 2.91Å; Y1029-G1034 WeakPolarHBondContact CD1-O 3.32Å; Y1029-K1036 HydrophobicContact CD1-CB 4.34Å; Y1029-K1036 HydrophobicContact CD1-CG 3.48Å; Y1029-K1036 VanDerWaalsContact CD1-CG 3.48Å; Y1029-K1036 HydrophobicContact CE1-CB 4.41Å; Y1029-K1036 HydrophobicContact CE1-CD 3.91Å; Y1029-K1036 HydrophobicContact CE1-CG 3.16Å; Y1029-K1036 HydrophobicContact CG-CG 4.44Å; Y1029-K1036 WeakPolarHBondContact OH-CE 3.36Å
1030	N	97.1	Very high	96.6	Very high	43 Å²	43	71.7 Å²	71.7	23%	0.23	37%	0.367	C	S	.	.			trans	-74.2	123.3	177.3	-178.8	-16.5	0	0	0	110.1	Y785 F1032 T1033 G1034 R1035 I1037	Y785-N1030 PolarHBondContact OH-OD1 3.4Å; N1030-F1032 PolarHBondContact O-N 3.31Å; N1030-F1032 WeakPolarHBondContact OD1-CB 3.33Å; N1030-F1032 WeakPolarHBondContact OD1-CD2 3.36Å; N1030-F1032 PolarHBondContact OD1-N 3.16Å; N1030-T1033 PolarHBondContact O-N 3.27Å; N1030-G1034 WeakPolarHBondContact O-CA 3.41Å; N1030-G1034 PolarHBondContact O-N 2.9Å; N1030-R1035 PolarHBondContact N-O 2.94Å; N1030-I1037 HydrophobicContact CB-CG1 4.34Å
1031	G	95.8	Very high	96.7	Very high	19 Å²	19	69.9 Å²	69.9	20%	0.196	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.8	179.7	0	0	0	0	0	114.1	E952 Y1029	E952-G1031 CarbonylContact O-C 3.53Å; E952-G1031 WeakPolarHBondContact O-CA 3.04Å; Y1029-G1031 PolarHBondContact O-N 2.91Å
1032	F	96.6	Very high	96.8	Very high	98 Å²	98	66.9 Å²	66.9	43%	0.43	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-29.3	-178.6	-57	-61	0	0	0	114.6	Y785 T786 Y949 D953 N1030	Y785-F1032 AromaticContact CE1-CE2 3.99Å; Y785-F1032 HydrophobicContact CE1-CE2 3.99Å; Y785-F1032 HydrophobicContact CE1-CZ 4.43Å; Y785-F1032 HydrophobicContact CE2-CE2 4.37Å; Y785-F1032 AromaticContact CZ-CE2 3.56Å; Y785-F1032 WeakPolarHBondContact OH-CD2 3.49Å; Y785-F1032 WeakPolarHBondContact OH-CE2 3.39Å; T786-F1032 HydrophobicContact CG2-CE2 3.63Å; T786-F1032 HydrophobicContact CG2-CZ 4.1Å; Y949-F1032 HydrophobicContact CE1-CZ 4.21Å; D953-F1032 HydrophobicContact CB-CD1 4.48Å; D953-F1032 HydrophobicContact CB-CE1 3.73Å; D953-F1032 HydrophobicContact CB-CZ 4.18Å; D953-F1032 WeakPolarHBondContact OD1-CE1 3.34Å; N1030-F1032 PolarHBondContact O-N 3.31Å; N1030-F1032 WeakPolarHBondContact OD1-CB 3.33Å; N1030-F1032 WeakPolarHBondContact OD1-CD2 3.36Å; N1030-F1032 PolarHBondContact OD1-N 3.16Å
1033	T	96.8	Very high	96.9	Very high	100 Å²	100	64.3 Å²	64.3	61%	0.613	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.1	-13.1	-170.8	57.7	0	0	0	0	113.8	N1030 R1035	N1030-T1033 PolarHBondContact O-N 3.27Å; T1033-R1035 PolarHBondContact O-N 2.72Å; T1033-R1035 PolarHBondContact OG1-N 3.24Å
1034	G	93.9	Very high	96.9	Very high	43 Å²	43	59.4 Å²	59.4	44%	0.443	32%	0.315	S	S	.	.			trans	69.2	-0.5	-169.9	0	0	0	0	0	114.3	Y1029 N1030	Y1029-G1034 WeakPolarHBondContact CD1-O 3.32Å; N1030-G1034 WeakPolarHBondContact O-CA 3.41Å; N1030-G1034 PolarHBondContact O-N 2.9Å
1035	R	96.8	Very high	97.1	Very high	188 Å²	188	59.9 Å²	59.9	71%	0.709	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-73.4	138.7	180	-168.8	179.8	175.7	179.1	0	110.4	N1030 T1033 I1037	N1030-R1035 PolarHBondContact N-O 2.94Å; T1033-R1035 PolarHBondContact O-N 2.72Å; T1033-R1035 PolarHBondContact OG1-N 3.24Å; R1035-I1037 PolarHBondContact O-N 3.1Å
1036	K	97.6	Very high	97.1	Very high	124 Å²	124	57.3 Å²	57.3	54%	0.539	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-54.8	132.1	168.4	-69.8	-179.8	-179.5	-174.5	0	110.2	V1027 Y1029	V1027-K1036 HydrophobicContact CG1-CD 4.23Å; V1027-K1036 HydrophobicContact CG1-CG 4.27Å; Y1029-K1036 HydrophobicContact CD1-CB 4.34Å; Y1029-K1036 HydrophobicContact CD1-CG 3.48Å; Y1029-K1036 VanDerWaalsContact CD1-CG 3.48Å; Y1029-K1036 HydrophobicContact CE1-CB 4.41Å; Y1029-K1036 HydrophobicContact CE1-CD 3.91Å; Y1029-K1036 HydrophobicContact CE1-CG 3.16Å; Y1029-K1036 HydrophobicContact CG-CG 4.44Å; Y1029-K1036 WeakPolarHBondContact OH-CE 3.36Å
1037	I	97.3	Very high	97.2	Very high	52 Å²	52	56.2 Å²	56.2	27%	0.267	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-70.8	133.9	169.8	-57.2	177.2	0	0	0	107.5	P955 L1028 N1030 R1035 S1039	P955-I1037 HydrophobicContact CB-CD1 4.26Å; L1028-I1037 HydrophobicContact CB-CD1 4.21Å; L1028-I1037 PolarHBondContact O-N 2.66Å; N1030-I1037 HydrophobicContact CB-CG1 4.34Å; R1035-I1037 PolarHBondContact O-N 3.1Å; I1037-S1039 VanDerWaalsContact C-N 3.32Å; I1037-S1039 PolarHBondContact O-N 3.14Å
1038	T	97.3	Very high	97.2	Very high	129 Å²	129	53.4 Å²	53.4	79%	0.791	28%	0.282	S	S	*	.	S	Bend	trans	-60.8	-41.6	-174.7	-50.7	0	0	0	0	112.2
1039	S	97.2	Very high	97.2	Very high	77 Å²	77	53.3 Å²	53.3	54%	0.538	28%	0.281	S	S	.	.	S	Bend	trans	-87.1	138.7	174.8	-54.6	0	0	0	0	110.6	I1037	I1037-S1039 VanDerWaalsContact C-N 3.32Å; I1037-S1039 PolarHBondContact O-N 3.14Å
1040	Q	97.2	Very high	97.2	Very high	118 Å²	118	51 Å²	51	55%	0.551	27%	0.272	S	S	*	.			trans	-68.4	146.2	166.8	-56.9	84.8	-0.5	0	0	109.8	N1025 E1026 V1027	N1025-Q1040 HydrophobicContact CB-CB 3.99Å; E1026-Q1040 WeakPolarHBondContact O-CA 3.2Å; E1026-Q1040 WeakPolarHBondContact O-CB 3.49Å; V1027-Q1040 HydrophobicContact CG2-CG 4.28Å
1041	I	98.1	Very high	97.2	Very high	18 Å²	18	49 Å²	49	9%	0.092	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.7	-176.7	-56.4	-54.5	0	0	0	109.3	A781 A783 N1025 E1026 L1028 L1043	A781-I1041 HydrophobicContact CB-CG2 4.02Å; A783-I1041 HydrophobicContact CB-CD1 3.83Å; A783-I1041 HydrophobicContact CB-CG1 4.35Å; A783-I1041 HydrophobicContact CB-CG2 3.82Å; N1025-I1041 WeakPolarHBondContact CA-O 3.45Å; E1026-I1041 PolarHBondContact N-O 3.27Å; E1026-I1041 PolarHBondContact O-N 3.34Å; L1028-I1041 HydrophobicContact CB-CG1 4.27Å; L1028-I1041 HydrophobicContact CD1-CB 4.02Å; L1028-I1041 HydrophobicContact CD2-CB 4.05Å; L1028-I1041 HydrophobicContact CD2-CG1 4.26Å; L1028-I1041 HydrophobicContact CD2-CG2 4.18Å; L1028-I1041 HydrophobicContact CG-CB 4.45Å; I1041-L1043 PolarHBondContact O-N 3.24Å
1042	F	98.2	Very high	97.2	Very high	33 Å²	33	52 Å²	52	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.5	170.9	-174.6	-97	0	0	0	109.1	A781 I782 L981 C984 R1023	A781-F1042 WeakPolarHBondContact CA-O 3.22Å; I782-F1042 HydrophobicContact CD1-CD1 3.71Å; I782-F1042 HydrophobicContact CD1-CE1 4.15Å; I782-F1042 HydrophobicContact CG1-CD1 4.02Å; I782-F1042 PolarHBondContact N-O 2.83Å; L981-F1042 HydrophobicContact CD2-CD1 4.43Å; L981-F1042 HydrophobicContact CD2-CE1 4.13Å; L981-F1042 WeakPolarHBondContact O-CZ 3.23Å; C984-F1042 HydrophobicContact CB-CE1 3.42Å; C984-F1042 VanDerWaalsContact CB-CE1 3.42Å; C984-F1042 HydrophobicContact CB-CZ 3.73Å; R1023-F1042 WeakPolarHBondContact O-CD2 3.37Å; R1023-F1042 VanDerWaalsContact O-CE2 3.23Å; R1023-F1042 WeakPolarHBondContact O-CE2 2.96Å
1043	L	97.1	Very high	97.1	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.5	-175.2	-174.8	84.8	0	0	0	108.7	I779 V780 A781 T957 P963 K988 G1024 E1026 I1041	I779-L1043 HydrophobicContact CG2-CD1 3.84Å; I779-L1043 HydrophobicContact CG2-CD2 4.45Å; I779-L1043 HydrophobicContact CG2-CG 4.09Å; V780-L1043 CarbonylContact O-C 3.5Å; V780-L1043 WeakPolarHBondContact O-CA 3.38Å; A781-L1043 HydrophobicContact CB-CD1 3.77Å; T957-L1043 HydrophobicContact CG2-CD2 3.63Å; P963-L1043 HydrophobicContact CB-CD1 4.01Å; K988-L1043 WeakPolarHBondContact CE-O 3.41Å; K988-L1043 PolarHBondContact NZ-O 3.12Å; G1024-L1043 PolarHBondContact O-N 2.96Å; E1026-L1043 WeakPolarHBondContact OE2-CD2 3.47Å; I1041-L1043 PolarHBondContact O-N 3.24Å
1044	G	96.6	Very high	96.9	Very high	2 Å²	2	45 Å²	45	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	164.1	170.7	0	0	0	0	0	113	V780	V780-G1044 PolarHBondContact N-O 3.47Å; V780-G1044 PolarHBondContact O-N 2.91Å
1045	P	97.9	Very high	96.9	Very high	12 Å²	12	45.2 Å²	45.2	8%	0.078	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.8	175.9	31.2	-33.4	0	0	0	111.2	L758 S778 I779 G987 A991	L758-P1045 HydrophobicContact CD1-CB 3.86Å; L758-P1045 HydrophobicContact CD1-CG 4.05Å; S778-P1045 CarbonylContact O-C 3.55Å; S778-P1045 WeakPolarHBondContact O-CA 3.05Å; I779-P1045 HydrophobicContact CD1-CB 3.93Å; G987-P1045 WeakPolarHBondContact O-CG 3.34Å; A991-P1045 HydrophobicContact CB-CG 4.45Å
1046	T	98.1	Very high	96.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.3	177.7	-41	0	0	0	0	109.9	S778 E983 C984 Y1048	S778-T1046 PolarHBondContact N-O 3.34Å; S778-T1046 PolarHBondContact O-N 3.39Å; E983-T1046 HydrophobicContact CG-CG2 4.26Å; C984-T1046 PolarHBondContact SG-OG1 3.11Å; T1046-Y1048 HydrophobicContact CG2-CD2 4.26Å; T1046-Y1048 HydrophobicContact CG2-CE2 4.06Å; T1046-Y1048 PolarHBondContact O-N 3.13Å
1047	Y	98.4	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	111.9	178.5	-172.2	-99.5	0	0	0	112	Q755 P757 F769 P773 A774 G775 R938 E983 Q1049	Q755-Y1047 WeakPolarHBondContact O-CE2 2.96Å; Q755-Y1047 PolarHBondContact O-OH 3.01Å; P757-Y1047 HydrophobicContact CB-CD1 4.44Å; P757-Y1047 HydrophobicContact CB-CD2 3.86Å; P757-Y1047 HydrophobicContact CB-CE2 4.29Å; P757-Y1047 HydrophobicContact CB-CG 3.89Å; F769-Y1047 HydrophobicContact CE1-CE1 4.2Å; F769-Y1047 HydrophobicContact CZ-CE1 4.25Å; P773-Y1047 WeakPolarHBondContact CB-OH 3.48Å; A774-Y1047 PolarHBondContact N-OH 3.18Å; A774-Y1047 VanDerWaalsContact N-OH 3.11Å; G775-Y1047 VanDerWaalsContact C-CZ 3.49Å; G775-Y1047 VanDerWaalsContact CA-OH 3.25Å; G775-Y1047 WeakPolarHBondContact CA-OH 3.49Å; G775-Y1047 PolarHBondContact N-OH 3.47Å; R938-Y1047 HydrophobicContact CG-CD1 3.94Å; E983-Y1047 PolarHBondContact OE1-N 3.43Å; Y1047-Q1049 HydrophobicContact CE1-CG 4.28Å
1048	Y	98.3	Very high	95.6	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	153.1	178.8	-95.1	-112.2	0	0	0	112.4	G775 I776 V780 F806 F935 I965 I967 T1046	G775-Y1048 CarbonylContact C-O 3.29Å; G775-Y1048 WeakPolarHBondContact CA-O 3.35Å; I776-Y1048 PolarHBondContact N-O 3.24Å; I776-Y1048 PolarHBondContact O-N 2.95Å; V780-Y1048 HydrophobicContact CG2-CD2 4.02Å; V780-Y1048 HydrophobicContact CG2-CE2 3.62Å; F806-Y1048 WeakPolarHBondContact CE1-O 3.45Å; F806-Y1048 VanDerWaalsContact CZ-O 3.28Å; F806-Y1048 WeakPolarHBondContact CZ-O 3.3Å; F935-Y1048 HydrophobicContact CB-CD1 4.39Å; I965-Y1048 HydrophobicContact CD1-CD1 3.79Å; I965-Y1048 HydrophobicContact CD1-CE1 4.19Å; I965-Y1048 HydrophobicContact CD1-CG 4.03Å; I967-Y1048 WeakPolarHBondContact CG2-OH 3.4Å; T1046-Y1048 HydrophobicContact CG2-CD2 4.26Å; T1046-Y1048 HydrophobicContact CG2-CE2 4.06Å; T1046-Y1048 PolarHBondContact O-N 3.13Å
1049	Q	98.1	Very high	95.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.4	-179.4	-61.3	176.6	-18.1	0	0	109.5	A732 F935 A936 Y1047 L1051	A732-Q1049 HydrophobicContact CB-CB 4.02Å; A732-Q1049 HydrophobicContact CB-CG 4.27Å; F935-Q1049 CarbonylContact C-O 3.6Å; F935-Q1049 VanDerWaalsContact CA-O 3.29Å; F935-Q1049 WeakPolarHBondContact CA-O 3.3Å; A936-Q1049 PolarHBondContact N-O 3.43Å; A936-Q1049 PolarHBondContact O-N 3.01Å; Y1047-Q1049 HydrophobicContact CE1-CG 4.28Å; Q1049-L1051 HydrophobicContact CB-CD2 4.5Å
1050	R	97.9	Very high	94.8	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.4	165.6	-174.5	174.7	-172.7	-168.1	1.5	108.7	A732 M733 F806 S808 R927 I928 D933 F935	A732-R1050 CarbonylContact C-O 3.48Å; A732-R1050 WeakPolarHBondContact CA-O 3.24Å; M733-R1050 PolarHBondContact N-O 2.89Å; M733-R1050 HydrophobicContact SD-CG 4.41Å; F806-R1050 HydrophobicContact CD1-CB 3.77Å; F806-R1050 HydrophobicContact CE1-CB 4.27Å; F806-R1050 HydrophobicContact CG-CB 4.3Å; F806-R1050 WeakPolarHBondContact O-CD 3.44Å; F806-R1050 PolarHBondContact O-NH1 3.29Å; S808-R1050 PolarHBondContact OG-NH1 3.05Å; R927-R1050 PolarHBondContact O-NH1 3.45Å; I928-R1050 PolarHBondContact O-NH2 3.38Å; D933-R1050 IonicContact OD2-CZ 3.55Å; D933-R1050 IonicContact OD2-NE 2.68Å; D933-R1050 IonicContact OD2-NH2 3.67Å; D933-R1050 PolarHBondContact OD2-NH2 3Å; F935-R1050 HydrophobicContact CD1-CB 3.99Å; F935-R1050 HydrophobicContact CD1-CG 4.17Å; F935-R1050 HydrophobicContact CE1-CB 3.74Å; F935-R1050 HydrophobicContact CE1-CG 3.61Å; F935-R1050 HydrophobicContact CZ-CG 4.11Å
1051	L	96.8	Very high	94.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-92.3	154	-179.7	-51.6	-176.5	0	0	0	110.5	Q731 K934 A936 Q1049 H1053	Q731-L1051 HydrophobicContact CB-CD2 4.45Å; Q731-L1051 WeakPolarHBondContact O-CA 3.47Å; K934-L1051 HydrophobicContact CB-CB 4.27Å; K934-L1051 HydrophobicContact CB-CD1 4.12Å; K934-L1051 WeakPolarHBondContact O-CB 3.41Å; K934-L1051 PolarHBondContact O-N 3.44Å; A936-L1051 HydrophobicContact CB-CD1 4.24Å; A936-L1051 HydrophobicContact CB-CD2 4.24Å; A936-L1051 HydrophobicContact CB-CG 4.44Å; Q1049-L1051 HydrophobicContact CB-CD2 4.5Å; L1051-H1053 PolarHBondContact O-N 3.15Å
1052	K	94.9	Very high	94	Very high	80 Å²	80	39 Å²	39	35%	0.348	20%	0.198	S	C	.	.	S	Bend	trans	-60.3	-8.7	176.6	68.2	170.7	177.6	-175.5	0	115.8	L473 Q731 M733 M1054	L473-K1052 HydrophobicContact CD1-CB 4.29Å; L473-K1052 HydrophobicContact CD1-CD 4.3Å; L473-K1052 HydrophobicContact CD2-CB 4.26Å; L473-K1052 HydrophobicContact CD2-CD 3.82Å; L473-K1052 HydrophobicContact CD2-CG 4.24Å; Q731-K1052 PolarHBondContact O-N 2.75Å; M733-K1052 HydrophobicContact CG-CB 4.44Å; M733-K1052 HydrophobicContact SD-CB 4.49Å; K1052-M1054 PolarHBondContact O-N 3.49Å
1053	H	94.1	Very high	93.5	Very high	48 Å²	48	42.4 Å²	42.4	22%	0.222	23%	0.232	C	C	.	.			trans	-86.4	90.4	-174.8	-65.1	113	0	0	0	110.3	Q731 K934 L1051	Q731-H1053 PolarHBondContact OE1-CE1 3.5Å; Q731-H1053 PolarHBondContact OE1-ND1 2.83Å; K934-H1053 HydrophobicContact CB-CB 4.34Å; K934-H1053 HydrophobicContact CD-CB 3.87Å; K934-H1053 HydrophobicContact CG-CB 4.32Å; K934-H1053 PolarHBondContact N-O 2.82Å; L1051-H1053 PolarHBondContact O-N 3.15Å
1054	M	93.3	Very high	93	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.015	27%	0.274	C	S	.	.			trans	-99.4	148.5	177.7	-60.7	175.2	-61.8	0	0	111.6	H749 R927 D933 K1052 D1057 K1058	H749-M1054 VanDerWaalsContact CE1-CE 3.46Å; H749-M1054 WeakPolarHBondContact CE1-CE 3.45Å; R927-M1054 HydrophobicContact CB-SD 3.67Å; R927-M1054 HydrophobicContact CG-CE 3.98Å; R927-M1054 HydrophobicContact CG-SD 3.69Å; D933-M1054 VanDerWaalsContact OD1-CA 3.25Å; D933-M1054 WeakPolarHBondContact OD1-CA 3.42Å; D933-M1054 WeakPolarHBondContact OD1-CB 3.48Å; K1052-M1054 PolarHBondContact O-N 3.49Å; M1054-D1057 WeakPolarHBondContact CE-OD2 3.41Å; M1054-D1057 PolarHBondContact O-N 3.19Å; M1054-K1058 WeakPolarHBondContact O-CG 3.36Å
1055	V	93.8	Very high	92.6	Very high	49 Å²	49	55 Å²	55	30%	0.297	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-65.8	-39.4	-176	62.6	0	0	0	0	112.8	Q930 I931 D933 D1057 K1058 I1059	Q930-V1055 HydrophobicContact CG-CG1 3.99Å; I931-V1055 WeakPolarHBondContact O-CG1 3.38Å; D933-V1055 PolarHBondContact OD1-N 3.28Å; D933-V1055 VanDerWaalsContact OD1-N 3.16Å; V1055-D1057 PolarHBondContact O-N 3.41Å; V1055-D1057 VanDerWaalsContact O-N 3.13Å; V1055-K1058 WeakPolarHBondContact O-CA 3.02Å; V1055-K1058 PolarHBondContact O-N 3.22Å; V1055-I1059 PolarHBondContact O-N 2.76Å
1056	D	89.9	Confident	92.2	Very high	69 Å²	69	57.7 Å²	57.7	37%	0.369	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-60.9	-26.6	178.4	-64.3	-21.8	0	0	0	112.3	R927 Q930 K1058 R1078	R927-D1056 IonicContact NH1-OD2 2.76Å; Q930-D1056 PolarHBondContact NE2-OD1 2.81Å; Q930-D1056 PolarHBondContact NE2-OD2 3.34Å; D1056-K1058 VanDerWaalsContact C-N 3.28Å; D1056-R1078 PolarHBondContact O-NH2 3.33Å
1057	D	85.9	Confident	91.9	Very high	34 Å²	34	61.3 Å²	61.3	18%	0.182	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-88.9	2	178.4	-65.8	-5.3	0	0	0	112.2	R927 M1054 V1055 R1078	R927-D1057 IonicContact CZ-OD1 3.04Å; R927-D1057 IonicContact NH1-OD1 3.81Å; R927-D1057 PolarHBondContact NH1-OD1 3.46Å; R927-D1057 IonicContact NH1-OD2 3.28Å; R927-D1057 IonicContact NH2-OD1 2.86Å; R927-D1057 PolarHBondContact NH2-OD1 3.34Å; R927-D1057 IonicContact NH2-OD2 3.7Å; M1054-D1057 WeakPolarHBondContact CE-OD2 3.41Å; M1054-D1057 PolarHBondContact O-N 3.19Å; V1055-D1057 PolarHBondContact O-N 3.41Å; V1055-D1057 VanDerWaalsContact O-N 3.13Å; D1057-R1078 VanDerWaalsContact O-CZ 3.31Å; D1057-R1078 PolarHBondContact O-NH1 3.07Å
1058	K	88.8	Confident	91.6	Very high	133 Å²	133	65.3 Å²	65.3	58%	0.578	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-32.4	-178.4	-64.7	-64.1	-176.9	-178.5	0	113.6	M1054 V1055 D1056 H1060	M1054-K1058 WeakPolarHBondContact O-CG 3.36Å; V1055-K1058 WeakPolarHBondContact O-CA 3.02Å; V1055-K1058 PolarHBondContact O-N 3.22Å; D1056-K1058 VanDerWaalsContact C-N 3.28Å; K1058-H1060 PolarHBondContact O-N 2.72Å
1059	I	89.7	Confident	91.3	Very high	116 Å²	116	72.5 Å²	72.5	60%	0.595	38%	0.383	S	S	*	.			trans	-57	129.8	179	-168.8	170	0	0	0	110.8	V1055 R1078	V1055-I1059 PolarHBondContact O-N 2.76Å; I1059-R1078 PolarHBondContact O-NE 3.08Å; I1059-R1078 PolarHBondContact O-NH2 3.27Å
1060	H	88.3	Confident	91	Very high	52 Å²	52	78 Å²	78	24%	0.241	41%	0.412	C	S	.	.			trans	-150.6	136.2	-176.8	-179.3	57.6	0	0	0	110	K1058 R1078 G1082	K1058-H1060 PolarHBondContact O-N 2.72Å; H1060-R1078 HydrophobicContact CB-CG 4.05Å; H1060-G1082 PolarHBondContact CE1-O 2.98Å; H1060-G1082 VanDerWaalsContact CE1-O 3.29Å; H1060-G1082 PolarHBondContact NE2-O 3.29Å
1061	S	89.5	Confident	90.8	Very high	104 Å²	104	79.3 Å²	79.3	73%	0.727	42%	0.419	S	S	*	.			trans	-149	148.6	178.7	59.6	0	0	0	0	109.9
1062	R	87.6	Confident	90.6	Very high	67 Å²	67	84.9 Å²	84.9	25%	0.253	44%	0.44	S	S	.	.			trans	-143.4	125.5	176.8	177.8	-175.2	168.8	133.8	-2.6	109.9	G1065 P1066 P1074 D1081 G1082	R1062-G1065 PolarHBondContact NH2-O 2.97Å; R1062-G1065 VanDerWaalsContact NH2-O 3.1Å; R1062-P1066 PolarHBondContact NH1-O 3.11Å; R1062-P1066 PolarHBondContact NH2-O 2.9Å; R1062-P1074 VanDerWaalsContact CZ-CB 3.46Å; R1062-D1081 PolarHBondContact NH1-O 2.83Å; R1062-G1082 WeakPolarHBondContact CD-O 3.21Å
1063	A	89.3	Confident	90.5	Very high	104 Å²	104	84 Å²	84	86%	0.86	44%	0.437	S	S	*	.	S	Bend	trans	-91.9	-64.3	168	0	0	0	0	0	110.4
1064	R	86.8	Confident	90.5	Very high	241 Å²	241	83.6 Å²	83.6	91%	0.909	44%	0.439	S	S	*	.	S	Bend	trans	-135.7	156.7	167.2	-67.7	-177	179.6	177.6	0.6	107.7
1065	G	87.6	Confident	90.4	Very high	31 Å²	31	85.4 Å²	85.4	32%	0.32	45%	0.448	S	S	.	.			trans	-172.6	-172	-177	0	0	0	0	0	112.8	R1062	R1062-G1065 PolarHBondContact NH2-O 2.97Å; R1062-G1065 VanDerWaalsContact NH2-O 3.1Å
1066	P	88.4	Confident	90.1	Very high	69 Å²	69	90.8 Å²	90.8	45%	0.448	47%	0.47	S	S	.	.			trans	-54.5	144.7	179.5	-25.4	35	0	0	0	112.2	R1062 M1075	R1062-P1066 PolarHBondContact NH1-O 3.11Å; R1062-P1066 PolarHBondContact NH2-O 2.9Å; P1066-M1075 HydrophobicContact CB-CG 3.88Å; P1066-M1075 PolarHBondContact O-N 3.19Å; P1066-M1075 VanDerWaalsContact O-N 3.16Å
1067	V	92.7	Very high	89.8	Confident	78 Å²	78	89.4 Å²	89.4	47%	0.473	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-118.8	146.2	176.7	-66.7	0	0	0	0	109.8	Q1073	V1067-Q1073 CarbonylContact C-O 3.55Å; V1067-Q1073 WeakPolarHBondContact CA-O 3.28Å; V1067-Q1073 WeakPolarHBondContact CB-O 3.24Å
1068	Q	91.8	Very high	89.6	Confident	84 Å²	84	91.3 Å²	91.3	39%	0.393	48%	0.476	S	S	.	.			trans	-72.4	134	173.5	-178.6	176.8	14.8	0	0	109.3	L1070 N1071 R1072 Q1073 M1075	Q1068-L1070 VanDerWaalsContact C-N 3.32Å; Q1068-L1070 HydrophobicContact CG-CB 4.41Å; Q1068-L1070 PolarHBondContact O-N 2.9Å; Q1068-N1071 WeakPolarHBondContact CB-OD1 3.15Å; Q1068-N1071 PolarHBondContact OE1-OD1 3.48Å; Q1068-R1072 WeakPolarHBondContact O-CA 3.34Å; Q1068-R1072 PolarHBondContact O-N 3.43Å; Q1068-Q1073 PolarHBondContact N-O 3.05Å; Q1068-M1075 HydrophobicContact CB-SD 3.82Å
1069	I	91.7	Very high	89	Confident	156 Å²	156	89 Å²	89	80%	0.8	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-36.8	-172.5	-62.7	171.5	0	0	0	112.1
1070	L	92.7	Very high	88.6	Confident	117 Å²	117	91.1 Å²	91.1	61%	0.613	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-55.6	-173.6	179.9	64.5	0	0	0	112.8	Q1068	Q1068-L1070 VanDerWaalsContact C-N 3.32Å; Q1068-L1070 HydrophobicContact CG-CB 4.41Å; Q1068-L1070 PolarHBondContact O-N 2.9Å
1071	N	93	Very high	88.3	Confident	28 Å²	28	92.1 Å²	92.1	15%	0.15	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-4.8	-176.2	59.4	-2.4	0	0	0	113.1	Q1068 Q1073 Y1153	Q1068-N1071 WeakPolarHBondContact CB-OD1 3.15Å; Q1068-N1071 PolarHBondContact OE1-OD1 3.48Å; N1071-Q1073 HydrophobicContact CB-CG 4.32Å; N1071-Q1073 PolarHBondContact ND2-OE1 3.17Å; N1071-Q1073 PolarHBondContact O-N 3.47Å; N1071-Q1073 VanDerWaalsContact O-N 3.12Å; N1071-Q1073 PolarHBondContact OD1-N 2.84Å; N1071-Y1153 VanDerWaalsContact O-CD1 3.25Å; N1071-Y1153 WeakPolarHBondContact O-CD1 3.47Å
1072	R	93.1	Very high	88.2	Confident	119 Å²	119	87.2 Å²	87.2	45%	0.449	45%	0.45	S	S	.	.			trans	57.7	18.2	-175.5	-58.5	-172	177.6	-168.5	-2.4	114.8	Q1068 Y1153	Q1068-R1072 WeakPolarHBondContact O-CA 3.34Å; Q1068-R1072 PolarHBondContact O-N 3.43Å; R1072-Y1153 HydrophobicContact CB-CD1 4.1Å; R1072-Y1153 HydrophobicContact CB-CG 4.19Å; R1072-Y1153 HydrophobicContact CG-CD1 3.99Å; R1072-Y1153 HydrophobicContact CG-CD2 4.45Å; R1072-Y1153 HydrophobicContact CG-CE1 3.98Å; R1072-Y1153 HydrophobicContact CG-CE2 4.42Å; R1072-Y1153 HydrophobicContact CG-CG 4.22Å
1073	Q	93.3	Very high	88.3	Confident	63 Å²	63	85.2 Å²	85.2	29%	0.294	45%	0.45	S	S	.	.			trans	-84.2	159.8	176.3	-70.8	-176.4	-33.5	0	0	111.1	V1067 Q1068 N1071 M1075 D1112	V1067-Q1073 CarbonylContact C-O 3.55Å; V1067-Q1073 WeakPolarHBondContact CA-O 3.28Å; V1067-Q1073 WeakPolarHBondContact CB-O 3.24Å; Q1068-Q1073 PolarHBondContact N-O 3.05Å; N1071-Q1073 HydrophobicContact CB-CG 4.32Å; N1071-Q1073 PolarHBondContact ND2-OE1 3.17Å; N1071-Q1073 PolarHBondContact O-N 3.47Å; N1071-Q1073 VanDerWaalsContact O-N 3.12Å; N1071-Q1073 PolarHBondContact OD1-N 2.84Å; Q1073-M1075 PolarHBondContact O-N 2.94Å; Q1073-D1112 HydrophobicContact CG-CB 4.08Å
1074	P	93.9	Very high	88.5	Confident	38 Å²	38	87.5 Å²	87.5	25%	0.247	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-45.2	133.2	169.1	-33.1	39.3	0	0	0	113	R1062	R1062-P1074 VanDerWaalsContact CZ-CB 3.46Å
1075	M	90	Very high	88.8	Confident	42 Å²	42	87 Å²	87	21%	0.207	45%	0.445	C	S	.	.			trans	-54.7	155.3	172.3	-75.3	-67.3	-69.4	0	0	111.7	P1066 Q1068 Q1073 G1082 G1083	P1066-M1075 HydrophobicContact CB-CG 3.88Å; P1066-M1075 PolarHBondContact O-N 3.19Å; P1066-M1075 VanDerWaalsContact O-N 3.16Å; Q1068-M1075 HydrophobicContact CB-SD 3.82Å; Q1073-M1075 PolarHBondContact O-N 2.94Å; M1075-G1082 CarbonylContact O-C 3.56Å; M1075-G1082 VanDerWaalsContact O-C 3.29Å; M1075-G1082 WeakPolarHBondContact O-CA 3.49Å; M1075-G1083 PolarHBondContact O-N 2.91Å
1076	E	88.7	Confident	89.2	Confident	162 Å²	162	88.7 Å²	88.7	76%	0.757	44%	0.444	S	S	*	.			trans	-92	154.1	169.5	62	177.2	-177.2	0	0	112.1
1077	G	82.5	Confident	89.5	Confident	39 Å²	39	86.1 Å²	86.1	40%	0.402	43%	0.43	S	S	.	.	S	Bend	trans	90.1	134	170.5	0	0	0	0	0	115	S1079 R1080 G1082	G1077-S1079 VanDerWaalsContact C-N 3.32Å; G1077-S1079 PolarHBondContact O-N 3.03Å; G1077-R1080 PolarHBondContact O-N 3.09Å; G1077-G1082 WeakPolarHBondContact O-CA 3.33Å; G1077-G1082 PolarHBondContact O-N 2.92Å
1078	R	82.2	Confident	89.7	Confident	74 Å²	74	88.5 Å²	88.5	28%	0.279	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-57.7	-39.9	179	178.9	179.8	-175.3	-110	-9.3	113.3	D1056 D1057 I1059 H1060 R1080 D1081	D1056-R1078 PolarHBondContact O-NH2 3.33Å; D1057-R1078 VanDerWaalsContact O-CZ 3.31Å; D1057-R1078 PolarHBondContact O-NH1 3.07Å; I1059-R1078 PolarHBondContact O-NE 3.08Å; I1059-R1078 PolarHBondContact O-NH2 3.27Å; H1060-R1078 HydrophobicContact CB-CG 4.05Å; R1078-R1080 PolarHBondContact O-N 3.14Å; R1078-R1080 VanDerWaalsContact O-N 3.1Å; R1078-D1081 PolarHBondContact O-N 3.28Å
1079	S	76.4	Confident	90	Very high	84 Å²	84	91.7 Å²	91.7	59%	0.587	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-69.4	-5.3	-176.9	53.6	0	0	0	0	114.6	G1077	G1077-S1079 VanDerWaalsContact C-N 3.32Å; G1077-S1079 PolarHBondContact O-N 3.03Å
1080	R	81.2	Confident	90.2	Very high	162 Å²	162	88.5 Å²	88.5	61%	0.611	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-126.4	22.4	-179.6	-62.3	-178.2	175.1	177.1	-2.1	112	G1077 R1078 G1082	G1077-R1080 PolarHBondContact O-N 3.09Å; R1078-R1080 PolarHBondContact O-N 3.14Å; R1078-R1080 VanDerWaalsContact O-N 3.1Å; R1080-G1082 PolarHBondContact O-N 2.83Å
1081	D	82.3	Confident	90.4	Very high	73 Å²	73	86.7 Å²	86.7	39%	0.39	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	41.8	-174.8	-59.3	-37.8	0	0	0	112.9	R1062 R1078	R1062-D1081 PolarHBondContact NH1-O 2.83Å; R1078-D1081 PolarHBondContact O-N 3.28Å
1082	G	88	Confident	90.7	Very high	0 Å²	0	88.7 Å²	88.7	0%	0	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-67.7	164.5	-178.3	0	0	0	0	0	114.3	H1060 R1062 M1075 G1077 R1080	H1060-G1082 PolarHBondContact CE1-O 2.98Å; H1060-G1082 VanDerWaalsContact CE1-O 3.29Å; H1060-G1082 PolarHBondContact NE2-O 3.29Å; R1062-G1082 WeakPolarHBondContact CD-O 3.21Å; M1075-G1082 CarbonylContact O-C 3.56Å; M1075-G1082 VanDerWaalsContact O-C 3.29Å; M1075-G1082 WeakPolarHBondContact O-CA 3.49Å; G1077-G1082 WeakPolarHBondContact O-CA 3.33Å; G1077-G1082 PolarHBondContact O-N 2.92Å; R1080-G1082 PolarHBondContact O-N 2.83Å
1083	G	88.9	Confident	90.9	Very high	26 Å²	26	86.3 Å²	86.3	27%	0.268	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-80	164.2	172.8	0	0	0	0	0	113.2	M1075	M1075-G1083 PolarHBondContact O-N 2.91Å
1084	L	93	Very high	91.1	Very high	152 Å²	152	85.4 Å²	85.4	80%	0.796	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-83.9	143.4	164	-67	175.9	0	0	0	109.4	F1086	L1084-F1086 PolarHBondContact O-N 3.34Å
1085	R	93.4	Very high	91.3	Very high	231 Å²	231	88.2 Å²	88.2	87%	0.872	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-79	121.8	179.2	-175.8	174.5	-178.9	170.2	-1	109.8
1086	F	95.6	Very high	91.6	Very high	66 Å²	66	90.5 Å²	90.5	29%	0.289	46%	0.464	S	S	.	.			trans	-95.8	103.4	164	-170.8	-91.8	0	0	0	107.5	L1084 E1090 R1091 Q1094 L1103 L1107	L1084-F1086 PolarHBondContact O-N 3.34Å; F1086-E1090 HydrophobicContact CD1-CB 4.41Å; F1086-E1090 HydrophobicContact CD2-CB 3.75Å; F1086-E1090 HydrophobicContact CD2-CG 4.47Å; F1086-E1090 HydrophobicContact CE1-CB 4.24Å; F1086-E1090 HydrophobicContact CE2-CB 3.54Å; F1086-E1090 HydrophobicContact CG-CB 4.19Å; F1086-E1090 VanDerWaalsContact CZ-C 3.49Å; F1086-E1090 HydrophobicContact CZ-CB 3.8Å; F1086-E1090 WeakPolarHBondContact CZ-O 3.23Å; F1086-R1091 HydrophobicContact CE1-CB 3.94Å; F1086-Q1094 HydrophobicContact CE2-CG 4.44Å; F1086-Q1094 HydrophobicContact CZ-CG 3.92Å; F1086-L1103 HydrophobicContact CE1-CD1 3.89Å; F1086-L1103 HydrophobicContact CZ-CD1 4.18Å; F1086-L1107 HydrophobicContact CD1-CD2 3.8Å; F1086-L1107 HydrophobicContact CD1-CG 4.4Å; F1086-L1107 HydrophobicContact CE1-CD2 4.22Å; F1086-L1107 HydrophobicContact CE1-CG 4.4Å
1087	G	95.4	Very high	92.1	Very high	14 Å²	14	89.9 Å²	89.9	14%	0.144	46%	0.461	C	S	.	.			trans	-90.9	-171	-171.1	0	0	0	0	0	113.5	E1090 R1091	G1087-E1090 VanDerWaalsContact C-OE2 3.29Å; G1087-E1090 WeakPolarHBondContact CA-OE2 3.35Å; G1087-E1090 PolarHBondContact N-OE2 3.12Å; G1087-R1091 PolarHBondContact O-N 2.84Å; G1087-R1091 VanDerWaalsContact O-N 3.09Å
1088	E	96.8	Very high	92.8	Very high	128 Å²	128	90.9 Å²	90.9	60%	0.598	47%	0.471	S	S	*	.	H	α-helix	trans	-64.9	-42.1	178.3	173.7	159.6	-134.8	0	0	112.2	R1091 D1092	E1088-R1091 WeakPolarHBondContact O-CB 3.49Å; E1088-R1091 PolarHBondContact O-N 3.47Å; E1088-R1091 IonicContact OE1-CZ 2.96Å; E1088-R1091 IonicContact OE1-NH1 3.65Å; E1088-R1091 IonicContact OE1-NH2 3.86Å; E1088-R1091 PolarHBondContact OE1-NH2 3.32Å; E1088-D1092 VanDerWaalsContact O-CG 3.3Å; E1088-D1092 PolarHBondContact O-N 3.42Å
1089	M	97.4	Very high	93.5	Very high	151 Å²	151	88.8 Å²	88.8	74%	0.744	47%	0.47	S	S	*	.	H	α-helix	trans	-65.4	-42.6	179.8	-67.6	-178.6	174.6	0	0	111.3	R1091 D1092 C1093	M1089-R1091 VanDerWaalsContact C-N 3.32Å; M1089-R1091 PolarHBondContact O-N 3.43Å; M1089-D1092 PolarHBondContact O-N 2.86Å; M1089-C1093 PolarHBondContact O-N 2.65Å; M1089-C1093 PolarHBondContact O-SG 3.05Å
1090	E	96.9	Very high	94.5	Very high	90 Å²	90	88.2 Å²	88.2	42%	0.421	47%	0.47	S	S	.	.	H	α-helix	trans	-64.6	-38.1	176.9	-63.8	78	-171.5	0	0	111.7	F1086 G1087 Q1094	F1086-E1090 HydrophobicContact CD1-CB 4.41Å; F1086-E1090 HydrophobicContact CD2-CB 3.75Å; F1086-E1090 HydrophobicContact CD2-CG 4.47Å; F1086-E1090 HydrophobicContact CE1-CB 4.24Å; F1086-E1090 HydrophobicContact CE2-CB 3.54Å; F1086-E1090 HydrophobicContact CG-CB 4.19Å; F1086-E1090 VanDerWaalsContact CZ-C 3.49Å; F1086-E1090 HydrophobicContact CZ-CB 3.8Å; F1086-E1090 WeakPolarHBondContact CZ-O 3.23Å; G1087-E1090 VanDerWaalsContact C-OE2 3.29Å; G1087-E1090 WeakPolarHBondContact CA-OE2 3.35Å; G1087-E1090 PolarHBondContact N-OE2 3.12Å; E1090-Q1094 WeakPolarHBondContact O-CG 3.39Å; E1090-Q1094 PolarHBondContact O-N 3.2Å
1091	R	97	Very high	95.2	Very high	79 Å²	79	88.2 Å²	88.2	30%	0.298	48%	0.477	S	S	.	.	H	α-helix	trans	-57.7	-51.4	171.3	175	-157.6	74.3	-161	-0.9	110.5	F1086 G1087 E1088 M1089 C1093 Q1094 I1095 L1103 L1107	F1086-R1091 HydrophobicContact CE1-CB 3.94Å; G1087-R1091 PolarHBondContact O-N 2.84Å; G1087-R1091 VanDerWaalsContact O-N 3.09Å; E1088-R1091 WeakPolarHBondContact O-CB 3.49Å; E1088-R1091 PolarHBondContact O-N 3.47Å; E1088-R1091 IonicContact OE1-CZ 2.96Å; E1088-R1091 IonicContact OE1-NH1 3.65Å; E1088-R1091 IonicContact OE1-NH2 3.86Å; E1088-R1091 PolarHBondContact OE1-NH2 3.32Å; M1089-R1091 VanDerWaalsContact C-N 3.32Å; M1089-R1091 PolarHBondContact O-N 3.43Å; R1091-C1093 VanDerWaalsContact C-N 3.31Å; R1091-C1093 PolarHBondContact O-N 2.82Å; R1091-Q1094 PolarHBondContact O-N 3.36Å; R1091-I1095 HydrophobicContact CG-CD1 3.9Å; R1091-I1095 HydrophobicContact CG-CG1 4.45Å; R1091-I1095 WeakPolarHBondContact O-CG1 3.46Å; R1091-I1095 PolarHBondContact O-N 3.1Å; R1091-L1103 HydrophobicContact CB-CD1 4.01Å; R1091-L1103 HydrophobicContact CG-CD1 3.6Å; R1091-L1103 HydrophobicContact CG-CD2 4.18Å; R1091-L1103 HydrophobicContact CG-CG 4.44Å; R1091-L1107 HydrophobicContact CG-CD1 4.21Å
1092	D	97.8	Very high	95.9	Very high	70 Å²	70	88.6 Å²	88.6	37%	0.374	48%	0.475	S	S	.	.	H	α-helix	trans	-65.2	-35	-175.4	-69.1	-10.3	0	0	0	112	E1088 M1089 Q1094 I1095 A1096	E1088-D1092 VanDerWaalsContact O-CG 3.3Å; E1088-D1092 PolarHBondContact O-N 3.42Å; M1089-D1092 PolarHBondContact O-N 2.86Å; D1092-Q1094 VanDerWaalsContact C-N 3.34Å; D1092-Q1094 PolarHBondContact O-N 3.03Å; D1092-I1095 PolarHBondContact O-N 3.22Å; D1092-A1096 WeakPolarHBondContact O-CB 3.04Å; D1092-A1096 PolarHBondContact O-N 3.38Å
1093	C	97.9	Very high	96.4	Very high	69 Å²	69	89.8 Å²	89.8	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-59.3	-43.4	170.1	-68.9	0	0	0	0	112.1	M1089 R1091 I1095 A1096 H1097	M1089-C1093 PolarHBondContact O-N 2.65Å; M1089-C1093 PolarHBondContact O-SG 3.05Å; R1091-C1093 VanDerWaalsContact C-N 3.31Å; R1091-C1093 PolarHBondContact O-N 2.82Å; C1093-I1095 VanDerWaalsContact C-N 3.35Å; C1093-A1096 WeakPolarHBondContact O-CB 3.48Å; C1093-A1096 PolarHBondContact O-N 2.9Å; C1093-H1097 PolarHBondContact O-CD2 3.14Å; C1093-H1097 PolarHBondContact O-N 3.32Å
1094	Q	97.5	Very high	96.7	Very high	44 Å²	44	95.6 Å²	95.6	21%	0.206	50%	0.495	C	S	.	.	H	α-helix	trans	-69.9	-32.9	178.2	-64.6	-56.1	-40.3	0	0	112.6	F1086 E1090 R1091 D1092 H1097 G1098 A1099 F1102 L1103	F1086-Q1094 HydrophobicContact CE2-CG 4.44Å; F1086-Q1094 HydrophobicContact CZ-CG 3.92Å; E1090-Q1094 WeakPolarHBondContact O-CG 3.39Å; E1090-Q1094 PolarHBondContact O-N 3.2Å; R1091-Q1094 PolarHBondContact O-N 3.36Å; D1092-Q1094 VanDerWaalsContact C-N 3.34Å; D1092-Q1094 PolarHBondContact O-N 3.03Å; Q1094-H1097 PolarHBondContact O-N 2.91Å; Q1094-G1098 PolarHBondContact O-N 3.38Å; Q1094-A1099 PolarHBondContact O-N 3.44Å; Q1094-F1102 HydrophobicContact CG-CD1 3.85Å; Q1094-F1102 HydrophobicContact CG-CE1 3.91Å; Q1094-L1103 HydrophobicContact CB-CB 4.4Å; Q1094-L1103 HydrophobicContact CB-CD1 4.02Å
1095	I	97.6	Very high	96.9	Very high	96 Å²	96	91.8 Å²	91.8	49%	0.492	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-45.7	170.6	-65.5	170.5	0	0	0	109.8	R1091 D1092 C1093 H1097 G1098 L1103	R1091-I1095 HydrophobicContact CG-CD1 3.9Å; R1091-I1095 HydrophobicContact CG-CG1 4.45Å; R1091-I1095 WeakPolarHBondContact O-CG1 3.46Å; R1091-I1095 PolarHBondContact O-N 3.1Å; D1092-I1095 PolarHBondContact O-N 3.22Å; C1093-I1095 VanDerWaalsContact C-N 3.35Å; I1095-H1097 VanDerWaalsContact C-N 3.3Å; I1095-H1097 PolarHBondContact O-N 2.96Å; I1095-G1098 WeakPolarHBondContact O-CA 3.16Å; I1095-G1098 PolarHBondContact O-N 3.49Å; I1095-L1103 HydrophobicContact CD1-CD2 4.19Å; I1095-L1103 HydrophobicContact CG1-CD2 3.61Å
1096	A	97.9	Very high	97	Very high	90 Å²	90	85.3 Å²	85.3	74%	0.744	45%	0.449	S	S	*	.	H	α-helix	trans	-62	-36.1	178.2	0	0	0	0	0	112.7	D1092 C1093 G1098	D1092-A1096 WeakPolarHBondContact O-CB 3.04Å; D1092-A1096 PolarHBondContact O-N 3.38Å; C1093-A1096 WeakPolarHBondContact O-CB 3.48Å; C1093-A1096 PolarHBondContact O-N 2.9Å; A1096-G1098 PolarHBondContact O-N 3.35Å
1097	H	97.6	Very high	97	Very high	150 Å²	150	85.9 Å²	85.9	69%	0.694	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.4	171.9	-75.4	-61.6	0	0	0	114	C1093 Q1094 I1095 A1099	C1093-H1097 PolarHBondContact O-CD2 3.14Å; C1093-H1097 PolarHBondContact O-N 3.32Å; Q1094-H1097 PolarHBondContact O-N 2.91Å; I1095-H1097 VanDerWaalsContact C-N 3.3Å; I1095-H1097 PolarHBondContact O-N 2.96Å; H1097-A1099 VanDerWaalsContact C-N 3.28Å; H1097-A1099 HydrophobicContact CB-CB 4.44Å; H1097-A1099 PolarHBondContact O-N 3.41Å
1098	G	97.1	Very high	97	Very high	59 Å²	59	86.4 Å²	86.4	61%	0.608	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	16.8	-173.8	0	0	0	0	0	113.9	Q1094 I1095 A1096 A1100	Q1094-G1098 PolarHBondContact O-N 3.38Å; I1095-G1098 WeakPolarHBondContact O-CA 3.16Å; I1095-G1098 PolarHBondContact O-N 3.49Å; A1096-G1098 PolarHBondContact O-N 3.35Å; G1098-A1100 PolarHBondContact O-N 2.85Å
1099	A	97.7	Very high	96.9	Very high	31 Å²	31	84.3 Å²	84.3	26%	0.256	44%	0.443	S	S	.	.			trans	-82.9	57.4	-175.8	0	0	0	0	0	112.2	Q1094 H1097 Q1101 F1102 L1103	Q1094-A1099 PolarHBondContact O-N 3.44Å; H1097-A1099 VanDerWaalsContact C-N 3.28Å; H1097-A1099 HydrophobicContact CB-CB 4.44Å; H1097-A1099 PolarHBondContact O-N 3.41Å; A1099-Q1101 VanDerWaalsContact C-N 3.34Å; A1099-Q1101 PolarHBondContact O-N 3.01Å; A1099-F1102 HydrophobicContact CB-CB 4.18Å; A1099-F1102 PolarHBondContact O-N 3.34Å; A1099-L1103 PolarHBondContact O-N 2.93Å
1100	A	97	Very high	96.8	Very high	72 Å²	72	79.8 Å²	79.8	60%	0.595	43%	0.43	S	S	*	.	H	α-helix	trans	-60.4	-36.9	-171.4	0	0	0	0	0	114	G1098 L1103 R1104	G1098-A1100 PolarHBondContact O-N 2.85Å; A1100-L1103 PolarHBondContact O-N 2.98Å; A1100-R1104 PolarHBondContact O-N 3.37Å
1101	Q	97	Very high	96.6	Very high	162 Å²	162	77.1 Å²	77.1	76%	0.757	42%	0.421	S	S	*	.	H	α-helix	trans	-66.5	-45.5	177.5	-69.7	-176.7	-1.3	0	0	111.7	A1099 L1103 R1104 E1105	A1099-Q1101 VanDerWaalsContact C-N 3.34Å; A1099-Q1101 PolarHBondContact O-N 3.01Å; Q1101-L1103 VanDerWaalsContact C-N 3.31Å; Q1101-L1103 PolarHBondContact O-N 3.07Å; Q1101-R1104 PolarHBondContact O-N 2.81Å; Q1101-E1105 WeakPolarHBondContact O-CB 3.42Å; Q1101-E1105 PolarHBondContact O-N 3.15Å
1102	F	97.4	Very high	96.5	Very high	80 Å²	80	73.7 Å²	73.7	35%	0.351	41%	0.409	S	S	.	.	H	α-helix	trans	-61.5	-42.4	175.6	178.1	-103	0	0	0	111	Q1094 A1099 R1104 E1105 R1106	Q1094-F1102 HydrophobicContact CG-CD1 3.85Å; Q1094-F1102 HydrophobicContact CG-CE1 3.91Å; A1099-F1102 HydrophobicContact CB-CB 4.18Å; A1099-F1102 PolarHBondContact O-N 3.34Å; F1102-R1104 PolarHBondContact O-N 3.35Å; F1102-E1105 WeakPolarHBondContact O-CB 3.31Å; F1102-E1105 PolarHBondContact O-N 2.8Å; F1102-R1106 HydrophobicContact CD1-CG 4.11Å; F1102-R1106 HydrophobicContact CD2-CG 4.22Å; F1102-R1106 HydrophobicContact CE1-CG 3.69Å; F1102-R1106 HydrophobicContact CE2-CG 3.82Å; F1102-R1106 HydrophobicContact CG-CG 4.37Å; F1102-R1106 HydrophobicContact CZ-CG 3.54Å; F1102-R1106 WeakPolarHBondContact O-CG 3.5Å; F1102-R1106 PolarHBondContact O-N 3.06Å
1103	L	96.7	Very high	96.4	Very high	26 Å²	26	73.6 Å²	73.6	14%	0.136	41%	0.412	C	S	.	.	H	α-helix	trans	-60.2	-45.9	176.8	-174.3	69.1	0	0	0	112	F1086 R1091 Q1094 I1095 A1099 A1100 Q1101 R1106 L1107	F1086-L1103 HydrophobicContact CE1-CD1 3.89Å; F1086-L1103 HydrophobicContact CZ-CD1 4.18Å; R1091-L1103 HydrophobicContact CB-CD1 4.01Å; R1091-L1103 HydrophobicContact CG-CD1 3.6Å; R1091-L1103 HydrophobicContact CG-CD2 4.18Å; R1091-L1103 HydrophobicContact CG-CG 4.44Å; Q1094-L1103 HydrophobicContact CB-CB 4.4Å; Q1094-L1103 HydrophobicContact CB-CD1 4.02Å; I1095-L1103 HydrophobicContact CD1-CD2 4.19Å; I1095-L1103 HydrophobicContact CG1-CD2 3.61Å; A1099-L1103 PolarHBondContact O-N 2.93Å; A1100-L1103 PolarHBondContact O-N 2.98Å; Q1101-L1103 VanDerWaalsContact C-N 3.31Å; Q1101-L1103 PolarHBondContact O-N 3.07Å; L1103-R1106 PolarHBondContact O-N 3.13Å; L1103-L1107 HydrophobicContact CD1-CD1 3.9Å; L1103-L1107 HydrophobicContact CD1-CG 4.32Å; L1103-L1107 HydrophobicContact CG-CD1 4.08Å; L1103-L1107 WeakPolarHBondContact O-CB 3.41Å; L1103-L1107 PolarHBondContact O-N 3.13Å
1104	R	96.7	Very high	96.4	Very high	147 Å²	147	73.7 Å²	73.7	56%	0.555	40%	0.403	S	S	*	.	H	α-helix	trans	-60.2	-46.2	174.5	-170.7	-170.9	77.3	-170	3.2	110.8	A1100 Q1101 F1102 R1106 F1108 E1109	A1100-R1104 PolarHBondContact O-N 3.37Å; Q1101-R1104 PolarHBondContact O-N 2.81Å; F1102-R1104 PolarHBondContact O-N 3.35Å; R1104-R1106 PolarHBondContact O-N 3.16Å; R1104-F1108 WeakPolarHBondContact O-CB 3.49Å; R1104-F1108 PolarHBondContact O-N 2.68Å; R1104-E1109 IonicContact CZ-OE1 3.78Å; R1104-E1109 IonicContact NE-OE1 3.61Å; R1104-E1109 IonicContact NH2-OE1 3.14Å; R1104-E1109 PolarHBondContact NH2-OE1 2.84Å; R1104-E1109 VanDerWaalsContact NH2-OE1 3.14Å
1105	E	96.5	Very high	96.3	Very high	73 Å²	73	76.5 Å²	76.5	34%	0.341	42%	0.416	S	S	.	.	I	π-helix	trans	-58.2	-48.3	179.2	-169.9	-162.5	156.4	0	0	111.6	Q1101 F1102 E1109 A1110	Q1101-E1105 WeakPolarHBondContact O-CB 3.42Å; Q1101-E1105 PolarHBondContact O-N 3.15Å; F1102-E1105 WeakPolarHBondContact O-CB 3.31Å; F1102-E1105 PolarHBondContact O-N 2.8Å; E1105-E1109 HydrophobicContact CG-CB 4.32Å; E1105-E1109 PolarHBondContact O-N 2.67Å; E1105-A1110 WeakPolarHBondContact O-CB 3.37Å; E1105-A1110 PolarHBondContact O-N 2.91Å
1106	R	95.4	Very high	96.2	Very high	94 Å²	94	72.5 Å²	72.5	36%	0.355	40%	0.396	S	S	.	.	I	π-helix	trans	-67	-45.2	-178.2	-66.9	-60	97.4	178	4.9	113.1	F1102 L1103 R1104	F1102-R1106 HydrophobicContact CD1-CG 4.11Å; F1102-R1106 HydrophobicContact CD2-CG 4.22Å; F1102-R1106 HydrophobicContact CE1-CG 3.69Å; F1102-R1106 HydrophobicContact CE2-CG 3.82Å; F1102-R1106 HydrophobicContact CG-CG 4.37Å; F1102-R1106 HydrophobicContact CZ-CG 3.54Å; F1102-R1106 WeakPolarHBondContact O-CG 3.5Å; F1102-R1106 PolarHBondContact O-N 3.06Å; L1103-R1106 PolarHBondContact O-N 3.13Å; R1104-R1106 PolarHBondContact O-N 3.16Å
1107	L	96.1	Very high	96	Very high	78 Å²	78	69.7 Å²	69.7	41%	0.408	37%	0.368	S	S	.	.	I	π-helix	trans	-80.2	-21.2	-177.1	-70.4	179.2	0	0	0	113.8	F1086 R1091 L1103	F1086-L1107 HydrophobicContact CD1-CD2 3.8Å; F1086-L1107 HydrophobicContact CD1-CG 4.4Å; F1086-L1107 HydrophobicContact CE1-CD2 4.22Å; F1086-L1107 HydrophobicContact CE1-CG 4.4Å; R1091-L1107 HydrophobicContact CG-CD1 4.21Å; L1103-L1107 HydrophobicContact CD1-CD1 3.9Å; L1103-L1107 HydrophobicContact CD1-CG 4.32Å; L1103-L1107 HydrophobicContact CG-CD1 4.08Å; L1103-L1107 WeakPolarHBondContact O-CB 3.41Å; L1103-L1107 PolarHBondContact O-N 3.13Å
1108	F	95.8	Very high	95.9	Very high	25 Å²	25	62.6 Å²	62.6	11%	0.11	33%	0.334	C	S	.	.	I	π-helix	trans	-119.6	-66.4	-175.8	177.2	-128.1	0	0	0	112.7	R1104 S1111 D1112 P1113 R1150 M1151 P1152	R1104-F1108 WeakPolarHBondContact O-CB 3.49Å; R1104-F1108 PolarHBondContact O-N 2.68Å; F1108-S1111 PolarHBondContact O-N 3.27Å; F1108-D1112 CarbonylContact O-C 3.59Å; F1108-D1112 PolarHBondContact O-N 2.6Å; F1108-P1113 HydrophobicContact CE2-CB 4.18Å; F1108-P1113 HydrophobicContact CZ-CB 4.25Å; F1108-P1113 WeakPolarHBondContact O-CD 3.14Å; F1108-R1150 HydrophobicContact CE1-CB 4.23Å; F1108-R1150 HydrophobicContact CZ-CB 3.88Å; F1108-M1151 WeakPolarHBondContact CE2-O 3.35Å; F1108-P1152 HydrophobicContact CD2-CB 4.18Å; F1108-P1152 HydrophobicContact CD2-CG 3.73Å; F1108-P1152 HydrophobicContact CE2-CG 4.39Å; F1108-P1152 HydrophobicContact CG-CG 4.5Å
1109	E	95	Very high	95.8	Very high	84 Å²	84	59.8 Å²	59.8	39%	0.393	31%	0.306	S	S	.	.	I	π-helix	trans	-70.1	-38.4	-168.6	-63.7	-178.6	-161.4	0	0	113.3	R1104 E1105	R1104-E1109 IonicContact CZ-OE1 3.78Å; R1104-E1109 IonicContact NE-OE1 3.61Å; R1104-E1109 IonicContact NH2-OE1 3.14Å; R1104-E1109 PolarHBondContact NH2-OE1 2.84Å; R1104-E1109 VanDerWaalsContact NH2-OE1 3.14Å; E1105-E1109 HydrophobicContact CG-CB 4.32Å; E1105-E1109 PolarHBondContact O-N 2.67Å
1110	A	94	Very high	95.6	Very high	57 Å²	57	61.1 Å²	61.1	47%	0.471	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-8.9	-178.1	0	0	0	0	0	114.1	E1105	E1105-A1110 WeakPolarHBondContact O-CB 3.37Å; E1105-A1110 PolarHBondContact O-N 2.91Å
1111	S	93.4	Very high	95.4	Very high	33 Å²	33	62.5 Å²	62.5	23%	0.231	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-72.6	-174.7	169.9	0	0	0	0	112.1	F1108	F1108-S1111 PolarHBondContact O-N 3.27Å
1112	D	94.6	Very high	95.1	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.043	27%	0.274	C	S	.	.			trans	-144.3	58.8	-169.2	61.2	-57.9	0	0	0	112.9	Q1073 F1108 Y1114 P1152 Y1153 A1154	Q1073-D1112 HydrophobicContact CG-CB 4.08Å; F1108-D1112 CarbonylContact O-C 3.59Å; F1108-D1112 PolarHBondContact O-N 2.6Å; D1112-Y1114 PolarHBondContact O-N 3.21Å; D1112-P1152 WeakPolarHBondContact O-CA 3.16Å; D1112-P1152 WeakPolarHBondContact OD2-CB 3.23Å; D1112-Y1153 PolarHBondContact O-N 3.4Å; D1112-Y1153 VanDerWaalsContact O-N 3.14Å; D1112-Y1153 PolarHBondContact OD2-N 2.88Å; D1112-A1154 PolarHBondContact OD2-N 3.22Å
1113	P	96.4	Very high	94.9	Very high	67 Å²	67	51.6 Å²	51.6	44%	0.435	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	125.6	178.2	27.9	-33.7	0	0	0	110.9	F1108	F1108-P1113 HydrophobicContact CE2-CB 4.18Å; F1108-P1113 HydrophobicContact CZ-CB 4.25Å; F1108-P1113 WeakPolarHBondContact O-CD 3.14Å
1114	Y	96.4	Very high	94.8	Very high	72 Å²	72	52.8 Å²	52.8	28%	0.282	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158	179.7	-161.1	-111	0	0	0	112.6	D1112 V1116 R1150 M1151 Y1153 K1156	D1112-Y1114 PolarHBondContact O-N 3.21Å; Y1114-V1116 HydrophobicContact CD1-CG1 3.72Å; Y1114-V1116 HydrophobicContact CE1-CG1 3.58Å; Y1114-R1150 WeakPolarHBondContact O-CA 3.43Å; Y1114-M1151 CarbonylContact C-O 3.53Å; Y1114-M1151 WeakPolarHBondContact CA-O 3.3Å; Y1114-M1151 VanDerWaalsContact CB-O 3.3Å; Y1114-M1151 WeakPolarHBondContact CB-O 3.07Å; Y1114-M1151 PolarHBondContact N-O 3.33Å; Y1114-M1151 PolarHBondContact O-N 2.66Å; Y1114-Y1153 AromaticContact CD1-CD2 3.82Å; Y1114-Y1153 HydrophobicContact CD1-CD2 3.82Å; Y1114-Y1153 AromaticContact CD2-CD2 3.65Å; Y1114-Y1153 HydrophobicContact CD2-CD2 3.65Å; Y1114-Y1153 HydrophobicContact CD2-CE2 4.36Å; Y1114-Y1153 AromaticContact CE1-CD2 3.97Å; Y1114-Y1153 HydrophobicContact CE1-CD2 3.97Å; Y1114-Y1153 HydrophobicContact CE1-CE2 4.2Å; Y1114-Y1153 AromaticContact CE2-CD2 3.79Å; Y1114-Y1153 HydrophobicContact CE2-CD2 3.79Å; Y1114-Y1153 HydrophobicContact CE2-CE2 4.02Å; Y1114-Y1153 AromaticContact CG-CD2 3.67Å; Y1114-Y1153 HydrophobicContact CG-CD2 3.67Å; Y1114-Y1153 HydrophobicContact CG-CG 4.47Å; Y1114-Y1153 AromaticContact CZ-CD2 3.95Å; Y1114-Y1153 AromaticContact CZ-CE2 3.95Å; Y1114-K1156 HydrophobicContact CD1-CG 4.45Å; Y1114-K1156 HydrophobicContact CE1-CD 4.37Å; Y1114-K1156 HydrophobicContact CE1-CG 4.33Å
1115	Q	95.1	Very high	94.7	Very high	102 Å²	102	48.1 Å²	48.1	48%	0.477	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.2	-176.7	-80.9	175.8	2.1	0	0	109.4	L1148 V1149 R1150	Q1115-L1148 HydrophobicContact CB-CD1 4.07Å; Q1115-L1148 HydrophobicContact CG-CD1 4.48Å; Q1115-V1149 WeakPolarHBondContact CA-O 3.37Å; Q1115-R1150 HydrophobicContact CG-CG 3.87Å
1116	V	95.5	Very high	94.5	Very high	12 Å²	12	45.4 Å²	45.4	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.8	177.5	-66.2	0	0	0	0	110.7	Y1114 V1118 M1125 V1149 M1151 K1156	Y1114-V1116 HydrophobicContact CD1-CG1 3.72Å; Y1114-V1116 HydrophobicContact CE1-CG1 3.58Å; V1116-V1118 HydrophobicContact CG2-CG2 4.11Å; V1116-M1125 HydrophobicContact CB-CG 4.5Å; V1116-M1125 HydrophobicContact CB-SD 4.46Å; V1116-M1125 HydrophobicContact CG1-SD 4.12Å; V1116-V1149 HydrophobicContact CG2-CB 4.26Å; V1116-V1149 PolarHBondContact N-O 2.65Å; V1116-V1149 PolarHBondContact O-N 3.09Å; V1116-M1151 HydrophobicContact CG1-SD 4.46Å; V1116-M1151 HydrophobicContact CG2-CG 4.01Å; V1116-M1151 HydrophobicContact CG2-SD 3.54Å; V1116-M1151 VanDerWaalsContact CG2-SD 3.54Å; V1116-K1156 HydrophobicContact CG1-CG 3.98Å
1117	H	95.1	Very high	94.4	Very high	32 Å²	32	45.5 Å²	45.5	15%	0.148	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.1	173.2	-65.7	76.8	0	0	0	108.7	M1125 A1126 A1128 Y1135 I1146 S1147	H1117-M1125 CarbonylContact O-C 3.52Å; H1117-M1125 WeakPolarHBondContact O-CA 3.25Å; H1117-A1126 PolarHBondContact O-N 2.91Å; H1117-A1128 HydrophobicContact CB-CB 3.74Å; H1117-A1128 VanDerWaalsContact CG-CB 3.44Å; H1117-A1128 VanDerWaalsContact ND1-CB 3.33Å; H1117-A1128 WeakPolarHBondContact ND1-CB 3.39Å; H1117-Y1135 AromaticContact CD2-CD1 3.9Å; H1117-Y1135 AromaticContact CD2-CE1 3.76Å; H1117-Y1135 AromaticContact NE2-CE1 3.48Å; H1117-Y1135 WeakPolarHBondContact NE2-CE1 3.46Å; H1117-Y1135 AromaticContact NE2-CZ 3.79Å; H1117-I1146 HydrophobicContact CB-CG2 3.72Å; H1117-S1147 CarbonylContact C-O 3.45Å; H1117-S1147 WeakPolarHBondContact CA-O 3.43Å
1118	V	95.6	Very high	94.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.4	-175.1	-177.1	0	0	0	0	109	V1116 N1120 I1146 S1147 V1149 M1171	V1116-V1118 HydrophobicContact CG2-CG2 4.11Å; V1118-N1120 PolarHBondContact O-OD1 2.84Å; V1118-I1146 CarbonylContact O-C 3.57Å; V1118-I1146 WeakPolarHBondContact O-CA 3.13Å; V1118-S1147 PolarHBondContact N-O 3.29Å; V1118-S1147 PolarHBondContact O-N 3.46Å; V1118-V1149 HydrophobicContact CB-CG2 4.4Å; V1118-V1149 HydrophobicContact CG2-CB 4.31Å; V1118-V1149 HydrophobicContact CG2-CG2 3.97Å; V1118-M1171 HydrophobicContact CG1-CB 4.26Å; V1118-M1171 HydrophobicContact CG1-CE 4.32Å; V1118-M1171 HydrophobicContact CG2-CE 3.57Å; V1118-M1171 HydrophobicContact CG2-SD 4.24Å
1119	C	94.9	Very high	94	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	125	175.4	179.5	0	0	0	0	110.3	L1121 C1122 G1123 L1124 A1126 C1137 N1142	C1119-L1121 PolarHBondContact O-N 2.94Å; C1119-C1122 VanDerWaalsContact CB-SG 3.56Å; C1119-C1122 PolarHBondContact O-N 3.03Å; C1119-G1123 WeakPolarHBondContact O-CA 3.35Å; C1119-G1123 PolarHBondContact O-N 3.43Å; C1119-L1124 PolarHBondContact N-O 3.21Å; C1119-A1126 HydrophobicContact CB-CB 4.5Å; C1119-C1137 HydrophobicContact CB-CB 3.75Å; C1119-N1142 PolarHBondContact SG-ND2 2.94Å; C1119-N1142 VanDerWaalsContact SG-ND2 3.43Å
1120	N	92.9	Very high	93.8	Very high	59 Å²	59	45.2 Å²	45.2	32%	0.316	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.8	-176	-66.3	3.8	0	0	0	113.1	V1118 Q1145 S1147 T1173	V1118-N1120 PolarHBondContact O-OD1 2.84Å; N1120-Q1145 HydrophobicContact CB-CB 4.22Å; N1120-Q1145 PolarHBondContact N-O 3.13Å; N1120-Q1145 VanDerWaalsContact N-O 3.1Å; N1120-S1147 PolarHBondContact ND2-OG 2.96Å; N1120-S1147 VanDerWaalsContact ND2-OG 3.13Å; N1120-S1147 VanDerWaalsContact OD1-CB 3.25Å; N1120-S1147 WeakPolarHBondContact OD1-CB 3.37Å; N1120-S1147 PolarHBondContact OD1-N 3.29Å; N1120-S1147 PolarHBondContact OD1-OG 2.92Å; N1120-T1173 PolarHBondContact OD1-OG1 2.94Å
1121	L	92.2	Very high	93.7	Very high	102 Å²	102	53 Å²	53	53%	0.534	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-46.5	180	-63.4	175.2	0	0	0	112.9	C1119 C1140 N1142	C1119-L1121 PolarHBondContact O-N 2.94Å; L1121-C1140 HydrophobicContact CD1-CB 4.23Å; L1121-N1142 HydrophobicContact CD1-CB 4.04Å
1122	C	91.5	Very high	93.7	Very high	13 Å²	13	54.8 Å²	54.8	9%	0.088	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-13.2	-173.2	66.4	0	0	0	0	114.4	C1119 L1124 C1140 R1170	C1119-C1122 VanDerWaalsContact CB-SG 3.56Å; C1119-C1122 PolarHBondContact O-N 3.03Å; C1122-L1124 PolarHBondContact O-N 3.01Å; C1122-C1140 VanDerWaalsContact CB-SG 3.51Å; C1122-C1140 VanDerWaalsContact SG-SG 3.64Å; C1122-R1170 VanDerWaalsContact O-CD 3.28Å; C1122-R1170 WeakPolarHBondContact O-CD 3.49Å; C1122-R1170 VanDerWaalsContact O-CG 3.24Å; C1122-R1170 WeakPolarHBondContact O-CG 3.49Å; C1122-R1170 PolarHBondContact O-NH1 3.46Å
1123	G	92.4	Very high	93.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.313	C	S	.	.			trans	68.7	11.9	-178.5	0	0	0	0	0	115.3	C1119 M1171	C1119-G1123 WeakPolarHBondContact O-CA 3.35Å; C1119-G1123 PolarHBondContact O-N 3.43Å; G1123-M1171 WeakPolarHBondContact CA-O 3.47Å; G1123-M1171 PolarHBondContact O-N 2.9Å
1124	L	94.4	Very high	93.1	Very high	50 Å²	50	62 Å²	62	26%	0.262	32%	0.316	S	S	.	.	S	Bend	trans	-93.7	154.5	175.4	-58.6	176.4	0	0	0	110.7	C1119 C1122 A1126 M1163 A1168 R1170	C1119-L1124 PolarHBondContact N-O 3.21Å; C1122-L1124 PolarHBondContact O-N 3.01Å; L1124-A1126 PolarHBondContact O-N 3.08Å; L1124-M1163 HydrophobicContact CD2-CE 3.5Å; L1124-M1163 HydrophobicContact CD2-SD 4.46Å; L1124-A1168 HydrophobicContact CD2-CB 4.48Å; L1124-R1170 HydrophobicContact CD2-CG 4.48Å
1125	M	95.3	Very high	93	Very high	49 Å²	49	61.5 Å²	61.5	24%	0.241	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-63.2	125.8	176.2	-68	179.4	-80.7	0	0	110.6	V1116 H1117 K1156 F1159 Q1160 M1163 M1171	V1116-M1125 HydrophobicContact CB-CG 4.5Å; V1116-M1125 HydrophobicContact CB-SD 4.46Å; V1116-M1125 HydrophobicContact CG1-SD 4.12Å; H1117-M1125 CarbonylContact O-C 3.52Å; H1117-M1125 WeakPolarHBondContact O-CA 3.25Å; M1125-K1156 HydrophobicContact CE-CG 4.45Å; M1125-K1156 HydrophobicContact SD-CG 3.79Å; M1125-F1159 HydrophobicContact CE-CB 4.12Å; M1125-Q1160 HydrophobicContact CE-CG 3.91Å; M1125-M1163 HydrophobicContact CE-CE 4.21Å; M1125-M1163 HydrophobicContact CE-SD 4.48Å; M1125-M1171 HydrophobicContact CG-CE 4.02Å
1126	A	93.2	Very high	92.9	Very high	17 Å²	17	60 Å²	60	14%	0.14	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-92.5	160	-177.5	0	0	0	0	0	111.8	H1117 C1119 L1124 A1128 C1137 I1146	H1117-A1126 PolarHBondContact O-N 2.91Å; C1119-A1126 HydrophobicContact CB-CB 4.5Å; L1124-A1126 PolarHBondContact O-N 3.08Å; A1126-A1128 PolarHBondContact O-N 3.1Å; A1126-C1137 HydrophobicContact CB-CB 4.23Å; A1126-I1146 HydrophobicContact CB-CD1 4.04Å; A1126-I1146 HydrophobicContact CB-CG1 4.42Å; A1126-I1146 HydrophobicContact CB-CG2 4.25Å
1127	I	92.9	Very high	92.8	Very high	95 Å²	95	60 Å²	60	49%	0.487	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.2	172.7	-57.6	173.3	0	0	0	107.2	E1136 R1138	I1127-E1136 WeakPolarHBondContact CB-O 3.47Å; I1127-E1136 PolarHBondContact N-O 3.12Å; I1127-E1136 PolarHBondContact O-N 2.87Å; I1127-R1138 HydrophobicContact CD1-CG 4.07Å
1128	A	92.4	Very high	92.6	Very high	38 Å²	38	67.6 Å²	67.6	31%	0.314	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	119	-177.4	0	0	0	0	0	111.7	H1117 A1126 Y1135	H1117-A1128 HydrophobicContact CB-CB 3.74Å; H1117-A1128 VanDerWaalsContact CG-CB 3.44Å; H1117-A1128 VanDerWaalsContact ND1-CB 3.33Å; H1117-A1128 WeakPolarHBondContact ND1-CB 3.39Å; A1126-A1128 PolarHBondContact O-N 3.1Å; A1128-Y1135 HydrophobicContact CB-CD1 3.5Å; A1128-Y1135 VanDerWaalsContact CB-CD1 3.5Å; A1128-Y1135 HydrophobicContact CB-CE1 3.82Å
1129	N	91.3	Very high	92.2	Very high	64 Å²	64	71.3 Å²	71.3	34%	0.342	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	92.1	170.2	-172.4	-9	0	0	0	109.1	R1131 T1132 H1133 T1134	N1129-R1131 PolarHBondContact O-N 3.02Å; N1129-R1131 WeakPolarHBondContact OD1-CB 3.12Å; N1129-R1131 PolarHBondContact OD1-N 3.16Å; N1129-T1132 PolarHBondContact ND2-OG1 3.18Å; N1129-T1132 VanDerWaalsContact ND2-OG1 3.12Å; N1129-T1132 PolarHBondContact O-N 2.85Å; N1129-H1133 WeakPolarHBondContact O-CA 3.48Å; N1129-H1133 PolarHBondContact O-N 3.48Å; N1129-T1134 PolarHBondContact N-O 3.48Å; N1129-T1134 PolarHBondContact O-N 2.81Å; N1129-T1134 VanDerWaalsContact O-N 3.11Å
1130	T	90.4	Very high	92	Very high	79 Å²	79	73.5 Å²	73.5	49%	0.485	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.4	-179.4	-47	0	0	0	0	112.3	H1133	T1130-H1133 PolarHBondContact O-N 2.88Å
1131	R	91.8	Very high	91.9	Very high	220 Å²	220	81.2 Å²	81.2	83%	0.83	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-36	179.4	-169.9	-179.1	70	176.7	1.8	112.4	N1129	N1129-R1131 PolarHBondContact O-N 3.02Å; N1129-R1131 WeakPolarHBondContact OD1-CB 3.12Å; N1129-R1131 PolarHBondContact OD1-N 3.16Å
1132	T	92.8	Very high	91.8	Very high	72 Å²	72	76.9 Å²	76.9	44%	0.442	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	3.6	178.1	52.6	0	0	0	0	112.4	N1129 T1134	N1129-T1132 PolarHBondContact ND2-OG1 3.18Å; N1129-T1132 VanDerWaalsContact ND2-OG1 3.12Å; N1129-T1132 PolarHBondContact O-N 2.85Å; T1132-T1134 PolarHBondContact O-N 2.91Å; T1132-T1134 VanDerWaalsContact O-N 3.12Å; T1132-T1134 PolarHBondContact OG1-OG1 3.44Å
1133	H	88.2	Confident	91.7	Very high	144 Å²	144	82.6 Å²	82.6	67%	0.667	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	28.6	-172.2	-63.3	-73.5	0	0	0	114.4	N1129 T1130	N1129-H1133 WeakPolarHBondContact O-CA 3.48Å; N1129-H1133 PolarHBondContact O-N 3.48Å; T1130-H1133 PolarHBondContact O-N 2.88Å
1134	T	90.2	Very high	91.5	Very high	83 Å²	83	88.5 Å²	88.5	51%	0.509	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.3	178.6	55.4	0	0	0	0	110	N1129 T1132	N1129-T1134 PolarHBondContact N-O 3.48Å; N1129-T1134 PolarHBondContact O-N 2.81Å; N1129-T1134 VanDerWaalsContact O-N 3.11Å; T1132-T1134 PolarHBondContact O-N 2.91Å; T1132-T1134 VanDerWaalsContact O-N 3.12Å; T1132-T1134 PolarHBondContact OG1-OG1 3.44Å
1135	Y	94.1	Very high	91.3	Very high	60 Å²	60	90.9 Å²	90.9	24%	0.235	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.9	177	-51.8	-60.4	0	0	0	108.9	H1117 A1128 K1143 I1146	H1117-Y1135 AromaticContact CD2-CD1 3.9Å; H1117-Y1135 AromaticContact CD2-CE1 3.76Å; H1117-Y1135 AromaticContact NE2-CE1 3.48Å; H1117-Y1135 WeakPolarHBondContact NE2-CE1 3.46Å; H1117-Y1135 AromaticContact NE2-CZ 3.79Å; A1128-Y1135 HydrophobicContact CB-CD1 3.5Å; A1128-Y1135 VanDerWaalsContact CB-CD1 3.5Å; A1128-Y1135 HydrophobicContact CB-CE1 3.82Å; Y1135-K1143 WeakPolarHBondContact O-CA 3.4Å; Y1135-I1146 VanDerWaalsContact C-CD1 3.49Å; Y1135-I1146 VanDerWaalsContact CB-CD1 3.46Å
1136	E	93.7	Very high	91.2	Very high	72 Å²	72	89.9 Å²	89.9	34%	0.336	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	132.1	-177.4	-179.2	172.7	-153.1	0	0	111.8	I1127 K1143	I1127-E1136 WeakPolarHBondContact CB-O 3.47Å; I1127-E1136 PolarHBondContact N-O 3.12Å; I1127-E1136 PolarHBondContact O-N 2.87Å; E1136-K1143 HydrophobicContact CB-CG 4.36Å; E1136-K1143 HydrophobicContact CG-CG 4.16Å; E1136-K1143 WeakPolarHBondContact OE1-CE 3.33Å; E1136-K1143 IonicContact OE1-NZ 3.57Å
1137	C	92.7	Very high	91.2	Very high	12 Å²	12	90.5 Å²	90.5	8%	0.081	46%	0.458	C	S	.	.	B	Isolated β-bridge	trans	-105	103.2	167.8	177.9	0	0	0	0	109.7	C1119 A1126 G1139 C1140 R1141 N1142	C1119-C1137 HydrophobicContact CB-CB 3.75Å; A1126-C1137 HydrophobicContact CB-CB 4.23Å; C1137-G1139 VanDerWaalsContact C-N 3.33Å; C1137-G1139 PolarHBondContact O-N 3.09Å; C1137-C1140 PolarHBondContact O-N 3.37Å; C1137-R1141 WeakPolarHBondContact O-CA 3.48Å; C1137-R1141 PolarHBondContact O-N 3.47Å; C1137-N1142 PolarHBondContact N-O 2.71Å; C1137-N1142 PolarHBondContact O-N 3.41Å
1138	R	91.8	Very high	91.3	Very high	190 Å²	190	90.6 Å²	90.6	72%	0.717	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-41.1	-175.7	-68.5	-175.3	176.9	-179.7	0.1	113.7	I1127 C1140 R1141	I1127-R1138 HydrophobicContact CD1-CG 4.07Å; R1138-C1140 VanDerWaalsContact C-N 3.32Å; R1138-C1140 PolarHBondContact O-N 2.79Å; R1138-R1141 PolarHBondContact O-N 3.09Å
1139	G	88.1	Confident	91.4	Very high	78 Å²	78	90.2 Å²	90.2	80%	0.804	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-30.5	-178.4	0	0	0	0	0	114.2	C1137	C1137-G1139 VanDerWaalsContact C-N 3.33Å; C1137-G1139 PolarHBondContact O-N 3.09Å
1140	C	89.4	Confident	91.6	Very high	46 Å²	46	94.5 Å²	94.5	31%	0.311	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-7.1	179.6	-60.9	0	0	0	0	113.1	L1121 C1122 C1137 R1138 N1142	L1121-C1140 HydrophobicContact CD1-CB 4.23Å; C1122-C1140 VanDerWaalsContact CB-SG 3.51Å; C1122-C1140 VanDerWaalsContact SG-SG 3.64Å; C1137-C1140 PolarHBondContact O-N 3.37Å; R1138-C1140 VanDerWaalsContact C-N 3.32Å; R1138-C1140 PolarHBondContact O-N 2.79Å; C1140-N1142 HydrophobicContact CB-CB 4.04Å; C1140-N1142 PolarHBondContact O-N 2.7Å; C1140-N1142 VanDerWaalsContact O-N 3.1Å
1141	R	90.8	Very high	91.9	Very high	221 Å²	221	91.4 Å²	91.4	83%	0.834	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	28.3	-169	-52.5	-178.5	-167.7	-176.7	3.3	113.4	C1137 R1138	C1137-R1141 WeakPolarHBondContact O-CA 3.48Å; C1137-R1141 PolarHBondContact O-N 3.47Å; R1138-R1141 PolarHBondContact O-N 3.09Å
1142	N	90.4	Very high	92.1	Very high	12 Å²	12	82.8 Å²	82.8	6%	0.064	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-91.9	129.9	-178.5	175.8	22.3	0	0	0	109.7	C1119 L1121 C1137 C1140 T1144 Q1145	C1119-N1142 PolarHBondContact SG-ND2 2.94Å; C1119-N1142 VanDerWaalsContact SG-ND2 3.43Å; L1121-N1142 HydrophobicContact CD1-CB 4.04Å; C1137-N1142 PolarHBondContact N-O 2.71Å; C1137-N1142 PolarHBondContact O-N 3.41Å; C1140-N1142 HydrophobicContact CB-CB 4.04Å; C1140-N1142 PolarHBondContact O-N 2.7Å; C1140-N1142 VanDerWaalsContact O-N 3.1Å; N1142-T1144 PolarHBondContact OD1-N 2.91Å; N1142-T1144 VanDerWaalsContact OD1-N 3.16Å; N1142-Q1145 WeakPolarHBondContact ND2-CB 3.46Å; N1142-Q1145 PolarHBondContact ND2-O 3.21Å; N1142-Q1145 PolarHBondContact OD1-N 3.18Å
1143	K	89.2	Confident	92.3	Very high	133 Å²	133	80.7 Å²	80.7	58%	0.578	40%	0.401	S	S	*	.	S	Bend	trans	-119.9	-10	-178.7	-63.7	-175	178.2	-174.7	0	113.9	Y1135 E1136	Y1135-K1143 WeakPolarHBondContact O-CA 3.4Å; E1136-K1143 HydrophobicContact CB-CG 4.36Å; E1136-K1143 HydrophobicContact CG-CG 4.16Å; E1136-K1143 WeakPolarHBondContact OE1-CE 3.33Å; E1136-K1143 IonicContact OE1-NZ 3.57Å
1144	T	88.1	Confident	92.8	Very high	123 Å²	123	75.4 Å²	75.4	76%	0.755	38%	0.383	S	S	*	.	S	Bend	trans	-113.8	-44.9	-172	50.6	0	0	0	0	112.3	N1142 I1146	N1142-T1144 PolarHBondContact OD1-N 2.91Å; N1142-T1144 VanDerWaalsContact OD1-N 3.16Å; T1144-I1146 PolarHBondContact O-N 3.04Å; T1144-I1146 VanDerWaalsContact O-N 3.08Å
1145	Q	90.9	Very high	93.1	Very high	100 Å²	100	73.4 Å²	73.4	47%	0.467	37%	0.371	S	S	.	.			trans	-89	73.1	-174.7	-57.7	176.4	-6.4	0	0	111.6	N1120 N1142	N1120-Q1145 HydrophobicContact CB-CB 4.22Å; N1120-Q1145 PolarHBondContact N-O 3.13Å; N1120-Q1145 VanDerWaalsContact N-O 3.1Å; N1142-Q1145 WeakPolarHBondContact ND2-CB 3.46Å; N1142-Q1145 PolarHBondContact ND2-O 3.21Å; N1142-Q1145 PolarHBondContact OD1-N 3.18Å
1146	I	92.8	Very high	93.2	Very high	29 Å²	29	71.7 Å²	71.7	15%	0.149	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.7	179.7	-65.7	173.4	0	0	0	109	H1117 V1118 A1126 Y1135 T1144	H1117-I1146 HydrophobicContact CB-CG2 3.72Å; V1118-I1146 CarbonylContact O-C 3.57Å; V1118-I1146 WeakPolarHBondContact O-CA 3.13Å; A1126-I1146 HydrophobicContact CB-CD1 4.04Å; A1126-I1146 HydrophobicContact CB-CG1 4.42Å; A1126-I1146 HydrophobicContact CB-CG2 4.25Å; Y1135-I1146 VanDerWaalsContact C-CD1 3.49Å; Y1135-I1146 VanDerWaalsContact CB-CD1 3.46Å; T1144-I1146 PolarHBondContact O-N 3.04Å; T1144-I1146 VanDerWaalsContact O-N 3.08Å
1147	S	93.9	Very high	93.4	Very high	30 Å²	30	70 Å²	70	21%	0.21	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	143.3	178.9	-70.5	0	0	0	0	111.9	H1117 V1118 N1120 T1173	H1117-S1147 CarbonylContact C-O 3.45Å; H1117-S1147 WeakPolarHBondContact CA-O 3.43Å; V1118-S1147 PolarHBondContact N-O 3.29Å; V1118-S1147 PolarHBondContact O-N 3.46Å; N1120-S1147 PolarHBondContact ND2-OG 2.96Å; N1120-S1147 VanDerWaalsContact ND2-OG 3.13Å; N1120-S1147 VanDerWaalsContact OD1-CB 3.25Å; N1120-S1147 WeakPolarHBondContact OD1-CB 3.37Å; N1120-S1147 PolarHBondContact OD1-N 3.29Å; N1120-S1147 PolarHBondContact OD1-OG 2.92Å; S1147-T1173 WeakPolarHBondContact CB-OG1 3.34Å; S1147-T1173 PolarHBondContact OG-OG1 3.42Å
1148	L	94.6	Very high	93.6	Very high	97 Å²	97	74 Å²	74	51%	0.508	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.6	170.3	-179.9	65.5	0	0	0	109.7	Q1115	Q1115-L1148 HydrophobicContact CB-CD1 4.07Å; Q1115-L1148 HydrophobicContact CG-CD1 4.48Å
1149	V	95.1	Very high	93.8	Very high	30 Å²	30	66.7 Å²	66.7	18%	0.182	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.7	179.3	-179.5	0	0	0	0	109.9	Q1115 V1116 V1118 T1173	Q1115-V1149 WeakPolarHBondContact CA-O 3.37Å; V1116-V1149 HydrophobicContact CG2-CB 4.26Å; V1116-V1149 PolarHBondContact N-O 2.65Å; V1116-V1149 PolarHBondContact O-N 3.09Å; V1118-V1149 HydrophobicContact CB-CG2 4.4Å; V1118-V1149 HydrophobicContact CG2-CB 4.31Å; V1118-V1149 HydrophobicContact CG2-CG2 3.97Å; V1149-T1173 HydrophobicContact CG2-CG2 3.73Å
1150	R	95.8	Very high	94.3	Very high	153 Å²	153	67 Å²	67	58%	0.577	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	121.6	171.6	-67.1	-173.7	87.9	174.4	3	108.8	F1108 Y1114 Q1115	F1108-R1150 HydrophobicContact CE1-CB 4.23Å; F1108-R1150 HydrophobicContact CZ-CB 3.88Å; Y1114-R1150 WeakPolarHBondContact O-CA 3.43Å; Q1115-R1150 HydrophobicContact CG-CG 3.87Å
1151	M	95.4	Very high	94.6	Very high	14 Å²	14	69.7 Å²	69.7	7%	0.069	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	154.9	178.8	66.9	-176.7	-57.3	0	0	110.2	F1108 Y1114 V1116 C1155 K1156 F1159 M1171	F1108-M1151 WeakPolarHBondContact CE2-O 3.35Å; Y1114-M1151 CarbonylContact C-O 3.53Å; Y1114-M1151 WeakPolarHBondContact CA-O 3.3Å; Y1114-M1151 VanDerWaalsContact CB-O 3.3Å; Y1114-M1151 WeakPolarHBondContact CB-O 3.07Å; Y1114-M1151 PolarHBondContact N-O 3.33Å; Y1114-M1151 PolarHBondContact O-N 2.66Å; V1116-M1151 HydrophobicContact CG1-SD 4.46Å; V1116-M1151 HydrophobicContact CG2-CG 4.01Å; V1116-M1151 HydrophobicContact CG2-SD 3.54Å; V1116-M1151 VanDerWaalsContact CG2-SD 3.54Å; M1151-C1155 HydrophobicContact CE-CB 3.63Å; M1151-C1155 WeakPolarHBondContact CE-SG 3.37Å; M1151-K1156 HydrophobicContact CE-CB 4.31Å; M1151-K1156 HydrophobicContact SD-CB 4.16Å; M1151-F1159 HydrophobicContact CE-CD2 3.66Å; M1151-F1159 HydrophobicContact CE-CE2 3.5Å; M1151-F1159 VanDerWaalsContact CE-CE2 3.5Å; M1151-F1159 HydrophobicContact CE-CZ 4.48Å; M1151-F1159 HydrophobicContact SD-CD2 4.5Å; M1151-F1159 HydrophobicContact SD-CE2 4.48Å; M1151-M1171 HydrophobicContact CE-SD 4.42Å; M1151-M1171 HydrophobicContact SD-CE 4.5Å; M1151-M1171 HydrophobicContact SD-SD 4.08Å
1152	P	97.1	Very high	95	Very high	40 Å²	40	61.1 Å²	61.1	26%	0.26	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	143.1	174.4	-20.9	30.4	0	0	0	111.4	F1108 D1112 A1154 C1155 K1156	F1108-P1152 HydrophobicContact CD2-CB 4.18Å; F1108-P1152 HydrophobicContact CD2-CG 3.73Å; F1108-P1152 HydrophobicContact CE2-CG 4.39Å; F1108-P1152 HydrophobicContact CG-CG 4.5Å; D1112-P1152 WeakPolarHBondContact O-CA 3.16Å; D1112-P1152 WeakPolarHBondContact OD2-CB 3.23Å; P1152-A1154 PolarHBondContact O-N 3.45Å; P1152-C1155 HydrophobicContact CB-CB 4.2Å; P1152-C1155 HydrophobicContact CG-CB 4.38Å; P1152-C1155 WeakPolarHBondContact O-CB 3.43Å; P1152-C1155 PolarHBondContact O-N 2.88Å; P1152-C1155 VanDerWaalsContact O-N 3.07Å; P1152-K1156 PolarHBondContact O-N 3.46Å; P1152-K1156 VanDerWaalsContact O-N 3.09Å
1153	Y	97.1	Very high	95.2	Very high	27 Å²	27	63.4 Å²	63.4	11%	0.106	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-37	175.9	-170.9	-89.7	0	0	0	111.3	N1071 R1072 D1112 Y1114 C1155 K1156 L1157	N1071-Y1153 VanDerWaalsContact O-CD1 3.25Å; N1071-Y1153 WeakPolarHBondContact O-CD1 3.47Å; R1072-Y1153 HydrophobicContact CB-CD1 4.1Å; R1072-Y1153 HydrophobicContact CB-CG 4.19Å; R1072-Y1153 HydrophobicContact CG-CD1 3.99Å; R1072-Y1153 HydrophobicContact CG-CD2 4.45Å; R1072-Y1153 HydrophobicContact CG-CE1 3.98Å; R1072-Y1153 HydrophobicContact CG-CE2 4.42Å; R1072-Y1153 HydrophobicContact CG-CG 4.22Å; D1112-Y1153 PolarHBondContact O-N 3.4Å; D1112-Y1153 VanDerWaalsContact O-N 3.14Å; D1112-Y1153 PolarHBondContact OD2-N 2.88Å; Y1114-Y1153 AromaticContact CD1-CD2 3.82Å; Y1114-Y1153 HydrophobicContact CD1-CD2 3.82Å; Y1114-Y1153 AromaticContact CD2-CD2 3.65Å; Y1114-Y1153 HydrophobicContact CD2-CD2 3.65Å; Y1114-Y1153 HydrophobicContact CD2-CE2 4.36Å; Y1114-Y1153 AromaticContact CE1-CD2 3.97Å; Y1114-Y1153 HydrophobicContact CE1-CD2 3.97Å; Y1114-Y1153 HydrophobicContact CE1-CE2 4.2Å; Y1114-Y1153 AromaticContact CE2-CD2 3.79Å; Y1114-Y1153 HydrophobicContact CE2-CD2 3.79Å; Y1114-Y1153 HydrophobicContact CE2-CE2 4.02Å; Y1114-Y1153 AromaticContact CG-CD2 3.67Å; Y1114-Y1153 HydrophobicContact CG-CD2 3.67Å; Y1114-Y1153 HydrophobicContact CG-CG 4.47Å; Y1114-Y1153 AromaticContact CZ-CD2 3.95Å; Y1114-Y1153 AromaticContact CZ-CE2 3.95Å; Y1153-C1155 VanDerWaalsContact C-N 3.25Å; Y1153-C1155 PolarHBondContact O-N 3.45Å; Y1153-K1156 HydrophobicContact CD2-CD 4.32Å; Y1153-K1156 HydrophobicContact CE2-CD 4.06Å; Y1153-K1156 WeakPolarHBondContact O-CB 3.11Å; Y1153-K1156 PolarHBondContact O-N 3.29Å; Y1153-K1156 VanDerWaalsContact O-N 3.13Å; Y1153-L1157 PolarHBondContact O-N 3.39Å
1154	A	96.7	Very high	95.6	Very high	34 Å²	34	61 Å²	61	28%	0.281	32%	0.321	S	S	.	.	H	α-helix	trans	-58.6	-37.5	175.1	0	0	0	0	0	112.3	D1112 P1152 L1157 L1158	D1112-A1154 PolarHBondContact OD2-N 3.22Å; P1152-A1154 PolarHBondContact O-N 3.45Å; A1154-L1157 PolarHBondContact O-N 2.95Å; A1154-L1158 PolarHBondContact O-N 3.21Å
1155	C	96.9	Very high	96.1	Very high	41 Å²	41	60.7 Å²	60.7	28%	0.277	31%	0.313	S	S	.	.	H	α-helix	trans	-71.3	-37.5	176.2	-172.9	0	0	0	0	111.7	M1151 P1152 Y1153 L1157 L1158 F1159	M1151-C1155 HydrophobicContact CE-CB 3.63Å; M1151-C1155 WeakPolarHBondContact CE-SG 3.37Å; P1152-C1155 HydrophobicContact CB-CB 4.2Å; P1152-C1155 HydrophobicContact CG-CB 4.38Å; P1152-C1155 WeakPolarHBondContact O-CB 3.43Å; P1152-C1155 PolarHBondContact O-N 2.88Å; P1152-C1155 VanDerWaalsContact O-N 3.07Å; Y1153-C1155 VanDerWaalsContact C-N 3.25Å; Y1153-C1155 PolarHBondContact O-N 3.45Å; C1155-L1157 VanDerWaalsContact C-N 3.31Å; C1155-L1157 PolarHBondContact O-N 3.02Å; C1155-L1158 WeakPolarHBondContact O-CB 3.42Å; C1155-L1158 PolarHBondContact O-N 3.29Å; C1155-F1159 PolarHBondContact O-N 2.97Å
1156	K	96.7	Very high	96.3	Very high	23 Å²	23	61.4 Å²	61.4	10%	0.1	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-41.2	172	173	-93.9	-175.1	-173	0	111.3	Y1114 V1116 M1125 M1151 P1152 Y1153 F1159 Q1160	Y1114-K1156 HydrophobicContact CD1-CG 4.45Å; Y1114-K1156 HydrophobicContact CE1-CD 4.37Å; Y1114-K1156 HydrophobicContact CE1-CG 4.33Å; V1116-K1156 HydrophobicContact CG1-CG 3.98Å; M1125-K1156 HydrophobicContact CE-CG 4.45Å; M1125-K1156 HydrophobicContact SD-CG 3.79Å; M1151-K1156 HydrophobicContact CE-CB 4.31Å; M1151-K1156 HydrophobicContact SD-CB 4.16Å; P1152-K1156 PolarHBondContact O-N 3.46Å; P1152-K1156 VanDerWaalsContact O-N 3.09Å; Y1153-K1156 HydrophobicContact CD2-CD 4.32Å; Y1153-K1156 HydrophobicContact CE2-CD 4.06Å; Y1153-K1156 WeakPolarHBondContact O-CB 3.11Å; Y1153-K1156 PolarHBondContact O-N 3.29Å; Y1153-K1156 VanDerWaalsContact O-N 3.13Å; K1156-F1159 PolarHBondContact O-N 3.44Å; K1156-Q1160 VanDerWaalsContact CE-OE1 3.32Å; K1156-Q1160 WeakPolarHBondContact O-CG 3.12Å; K1156-Q1160 PolarHBondContact O-N 3.14Å
1157	L	97.4	Very high	96.5	Very high	37 Å²	37	64.4 Å²	64.4	19%	0.194	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-44.8	175.5	-175.8	64.2	0	0	0	111	Y1153 A1154 C1155 F1159 Q1160 E1161	Y1153-L1157 PolarHBondContact O-N 3.39Å; A1154-L1157 PolarHBondContact O-N 2.95Å; C1155-L1157 VanDerWaalsContact C-N 3.31Å; C1155-L1157 PolarHBondContact O-N 3.02Å; L1157-F1159 VanDerWaalsContact C-N 3.29Å; L1157-F1159 PolarHBondContact O-N 2.92Å; L1157-Q1160 WeakPolarHBondContact O-CA 3.45Å; L1157-Q1160 WeakPolarHBondContact O-CB 3.07Å; L1157-Q1160 PolarHBondContact O-N 3.13Å; L1157-E1161 WeakPolarHBondContact O-CG 3.46Å; L1157-E1161 PolarHBondContact O-N 3.17Å
1158	L	97.4	Very high	96.6	Very high	96 Å²	96	65.5 Å²	65.5	50%	0.503	36%	0.355	S	S	.	.	H	α-helix	trans	-54.6	-43.6	174.6	176.6	64.4	0	0	0	112.1	A1154 C1155 Q1160 E1161 L1162	A1154-L1158 PolarHBondContact O-N 3.21Å; C1155-L1158 WeakPolarHBondContact O-CB 3.42Å; C1155-L1158 PolarHBondContact O-N 3.29Å; L1158-Q1160 VanDerWaalsContact C-N 3.33Å; L1158-Q1160 PolarHBondContact O-N 3.39Å; L1158-E1161 PolarHBondContact O-N 3.29Å; L1158-L1162 HydrophobicContact CD1-CG 4.4Å; L1158-L1162 HydrophobicContact CG-CD1 4.32Å; L1158-L1162 WeakPolarHBondContact O-CG 3.33Å; L1158-L1162 PolarHBondContact O-N 2.95Å
1159	F	97.1	Very high	96.6	Very high	36 Å²	36	61.9 Å²	61.9	16%	0.158	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-36.1	175.4	-72.8	-20.2	0	0	0	113.3	M1125 M1151 C1155 K1156 L1157 L1162 M1163 P1169 M1171	M1125-F1159 HydrophobicContact CE-CB 4.12Å; M1151-F1159 HydrophobicContact CE-CD2 3.66Å; M1151-F1159 HydrophobicContact CE-CE2 3.5Å; M1151-F1159 VanDerWaalsContact CE-CE2 3.5Å; M1151-F1159 HydrophobicContact CE-CZ 4.48Å; M1151-F1159 HydrophobicContact SD-CD2 4.5Å; M1151-F1159 HydrophobicContact SD-CE2 4.48Å; C1155-F1159 PolarHBondContact O-N 2.97Å; K1156-F1159 PolarHBondContact O-N 3.44Å; L1157-F1159 VanDerWaalsContact C-N 3.29Å; L1157-F1159 PolarHBondContact O-N 2.92Å; F1159-L1162 HydrophobicContact CD1-CD1 4.24Å; F1159-L1162 PolarHBondContact O-N 3.13Å; F1159-M1163 HydrophobicContact CB-CE 4.47Å; F1159-M1163 WeakPolarHBondContact O-CB 3.34Å; F1159-M1163 WeakPolarHBondContact O-CG 3.45Å; F1159-M1163 PolarHBondContact O-N 3.26Å; F1159-P1169 HydrophobicContact CB-CG 3.98Å; F1159-P1169 HydrophobicContact CD1-CB 3.6Å; F1159-P1169 HydrophobicContact CD1-CG 3.46Å; F1159-P1169 VanDerWaalsContact CD1-CG 3.46Å; F1159-P1169 HydrophobicContact CE1-CB 3.73Å; F1159-P1169 HydrophobicContact CE1-CG 4.13Å; F1159-P1169 HydrophobicContact CG-CB 4.33Å; F1159-P1169 HydrophobicContact CG-CG 3.86Å; F1159-M1171 HydrophobicContact CD2-CE 3.86Å; F1159-M1171 HydrophobicContact CD2-CG 4.46Å; F1159-M1171 HydrophobicContact CD2-SD 4.03Å; F1159-M1171 HydrophobicContact CE2-CE 3.86Å; F1159-M1171 HydrophobicContact CE2-CG 3.61Å; F1159-M1171 HydrophobicContact CE2-SD 3.41Å; F1159-M1171 WeakPolarHBondContact CE2-SD 3.5Å; F1159-M1171 HydrophobicContact CZ-CG 4.08Å; F1159-M1171 HydrophobicContact CZ-SD 4.38Å
1160	Q	96.7	Very high	96.5	Very high	84 Å²	84	67.2 Å²	67.2	39%	0.393	36%	0.355	S	S	.	.	H	α-helix	trans	-67.3	-38.1	174.4	-65.7	-174.9	-59.4	0	0	112.1	M1125 K1156 L1157 L1158 M1163 S1164	M1125-Q1160 HydrophobicContact CE-CG 3.91Å; K1156-Q1160 VanDerWaalsContact CE-OE1 3.32Å; K1156-Q1160 WeakPolarHBondContact O-CG 3.12Å; K1156-Q1160 PolarHBondContact O-N 3.14Å; L1157-Q1160 WeakPolarHBondContact O-CA 3.45Å; L1157-Q1160 WeakPolarHBondContact O-CB 3.07Å; L1157-Q1160 PolarHBondContact O-N 3.13Å; L1158-Q1160 VanDerWaalsContact C-N 3.33Å; L1158-Q1160 PolarHBondContact O-N 3.39Å; Q1160-M1163 PolarHBondContact O-N 3.4Å; Q1160-S1164 PolarHBondContact O-N 2.8Å
1161	E	97.6	Very high	96.5	Very high	104 Å²	104	61.4 Å²	61.4	49%	0.486	33%	0.334	S	S	.	.	H	α-helix	trans	-68.4	-36.9	174.8	-65.8	-62.9	169.8	0	0	112.3	L1157 L1158 S1164 M1165	L1157-E1161 WeakPolarHBondContact O-CG 3.46Å; L1157-E1161 PolarHBondContact O-N 3.17Å; L1158-E1161 PolarHBondContact O-N 3.29Å; E1161-S1164 PolarHBondContact O-N 2.86Å; E1161-S1164 PolarHBondContact O-OG 3.36Å; E1161-M1165 WeakPolarHBondContact O-CE 3.34Å; E1161-M1165 WeakPolarHBondContact O-CG 3.47Å; E1161-M1165 PolarHBondContact O-N 3.21Å
1162	L	97.6	Very high	96.3	Very high	41 Å²	41	67.9 Å²	67.9	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-64.7	-43.6	171.6	-70.1	174.9	0	0	0	110.9	L1158 F1159 S1164 M1165 S1166 I1167 P1169	L1158-L1162 HydrophobicContact CD1-CG 4.4Å; L1158-L1162 HydrophobicContact CG-CD1 4.32Å; L1158-L1162 WeakPolarHBondContact O-CG 3.33Å; L1158-L1162 PolarHBondContact O-N 2.95Å; F1159-L1162 HydrophobicContact CD1-CD1 4.24Å; F1159-L1162 PolarHBondContact O-N 3.13Å; L1162-S1164 VanDerWaalsContact C-N 3.33Å; L1162-S1164 PolarHBondContact O-N 3.38Å; L1162-M1165 HydrophobicContact CD2-CE 3.73Å; L1162-M1165 CarbonylContact O-C 3.57Å; L1162-M1165 WeakPolarHBondContact O-CA 3.45Å; L1162-M1165 WeakPolarHBondContact O-CB 3.2Å; L1162-M1165 PolarHBondContact O-N 3.22Å; L1162-M1165 VanDerWaalsContact O-N 3.15Å; L1162-S1166 PolarHBondContact O-N 2.96Å; L1162-I1167 CarbonylContact C-O 3.53Å; L1162-I1167 HydrophobicContact CB-CB 4.27Å; L1162-I1167 HydrophobicContact CB-CG2 4.43Å; L1162-I1167 HydrophobicContact CD2-CD1 4.25Å; L1162-I1167 WeakPolarHBondContact O-CA 3.43Å; L1162-I1167 WeakPolarHBondContact O-CB 3.47Å; L1162-I1167 PolarHBondContact O-N 3.49Å; L1162-P1169 HydrophobicContact CB-CG 4.05Å; L1162-P1169 HydrophobicContact CD1-CB 4.28Å; L1162-P1169 HydrophobicContact CD1-CG 4.13Å
1163	M	96	Very high	95.7	Very high	60 Å²	60	68.3 Å²	68.3	30%	0.296	37%	0.368	S	S	.	.	H	α-helix	trans	-63.8	-35.4	176.8	-71.4	176.3	-165	0	0	112.6	L1124 M1125 F1159 Q1160 M1165 S1166 I1167 P1169	L1124-M1163 HydrophobicContact CD2-CE 3.5Å; L1124-M1163 HydrophobicContact CD2-SD 4.46Å; M1125-M1163 HydrophobicContact CE-CE 4.21Å; M1125-M1163 HydrophobicContact CE-SD 4.48Å; F1159-M1163 HydrophobicContact CB-CE 4.47Å; F1159-M1163 WeakPolarHBondContact O-CB 3.34Å; F1159-M1163 WeakPolarHBondContact O-CG 3.45Å; F1159-M1163 PolarHBondContact O-N 3.26Å; Q1160-M1163 PolarHBondContact O-N 3.4Å; M1163-M1165 VanDerWaalsContact C-N 3.26Å; M1163-M1165 PolarHBondContact O-N 3.28Å; M1163-S1166 WeakPolarHBondContact O-CA 3.41Å; M1163-S1166 PolarHBondContact O-N 3.03Å; M1163-I1167 VanDerWaalsContact CA-O 3.23Å; M1163-I1167 WeakPolarHBondContact CA-O 3.47Å; M1163-I1167 PolarHBondContact N-O 3.01Å; M1163-P1169 HydrophobicContact CE-CG 4.12Å
1164	S	97.3	Very high	94.4	Very high	81 Å²	81	76.1 Å²	76.1	57%	0.566	43%	0.427	S	S	*	.	H	α-helix	trans	-65.6	-32.1	175.2	73.2	0	0	0	0	111.6	Q1160 E1161 L1162 S1166	Q1160-S1164 PolarHBondContact O-N 2.8Å; E1161-S1164 PolarHBondContact O-N 2.86Å; E1161-S1164 PolarHBondContact O-OG 3.36Å; L1162-S1164 VanDerWaalsContact C-N 3.33Å; L1162-S1164 PolarHBondContact O-N 3.38Å; S1164-S1166 PolarHBondContact O-N 3.43Å
1165	M	97.1	Very high	94.3	Very high	118 Å²	118	78.3 Å²	78.3	58%	0.581	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	9.6	169.3	-64.5	-172.8	-71.2	0	0	113.9	E1161 L1162 M1163 I1167	E1161-M1165 WeakPolarHBondContact O-CE 3.34Å; E1161-M1165 WeakPolarHBondContact O-CG 3.47Å; E1161-M1165 PolarHBondContact O-N 3.21Å; L1162-M1165 HydrophobicContact CD2-CE 3.73Å; L1162-M1165 CarbonylContact O-C 3.57Å; L1162-M1165 WeakPolarHBondContact O-CA 3.45Å; L1162-M1165 WeakPolarHBondContact O-CB 3.2Å; L1162-M1165 PolarHBondContact O-N 3.22Å; L1162-M1165 VanDerWaalsContact O-N 3.15Å; M1163-M1165 VanDerWaalsContact C-N 3.26Å; M1163-M1165 PolarHBondContact O-N 3.28Å; M1165-I1167 PolarHBondContact O-N 3.17Å
1166	S	96.5	Very high	94.1	Very high	114 Å²	114	80.2 Å²	80.2	80%	0.797	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	14.6	-175.4	-53.5	0	0	0	0	115.1	L1162 M1163 S1164	L1162-S1166 PolarHBondContact O-N 2.96Å; M1163-S1166 WeakPolarHBondContact O-CA 3.41Å; M1163-S1166 PolarHBondContact O-N 3.03Å; S1164-S1166 PolarHBondContact O-N 3.43Å
1167	I	97	Very high	94	Very high	93 Å²	93	83.4 Å²	83.4	48%	0.477	46%	0.461	S	S	.	.			trans	-86.9	122.4	169.3	-60	172.2	0	0	0	106.9	L1162 M1163 M1165 P1169	L1162-I1167 CarbonylContact C-O 3.53Å; L1162-I1167 HydrophobicContact CB-CB 4.27Å; L1162-I1167 HydrophobicContact CB-CG2 4.43Å; L1162-I1167 HydrophobicContact CD2-CD1 4.25Å; L1162-I1167 WeakPolarHBondContact O-CA 3.43Å; L1162-I1167 WeakPolarHBondContact O-CB 3.47Å; L1162-I1167 PolarHBondContact O-N 3.49Å; M1163-I1167 VanDerWaalsContact CA-O 3.23Å; M1163-I1167 WeakPolarHBondContact CA-O 3.47Å; M1163-I1167 PolarHBondContact N-O 3.01Å; M1165-I1167 PolarHBondContact O-N 3.17Å; I1167-P1169 WeakPolarHBondContact O-CD 3.22Å
1168	A	94.9	Very high	93.8	Very high	53 Å²	53	86.1 Å²	86.1	44%	0.438	48%	0.477	S	S	.	.			trans	-99.9	88.3	-178.5	0	0	0	0	0	111.4	L1124 R1170	L1124-A1168 HydrophobicContact CD2-CB 4.48Å; A1168-R1170 PolarHBondContact O-N 2.92Å
1169	P	95.1	Very high	93.5	Very high	21 Å²	21	85.5 Å²	85.5	14%	0.136	48%	0.475	C	S	.	.			trans	-70.8	119.9	174.2	30.3	-35.3	0	0	0	109.7	F1159 L1162 M1163 I1167	F1159-P1169 HydrophobicContact CB-CG 3.98Å; F1159-P1169 HydrophobicContact CD1-CB 3.6Å; F1159-P1169 HydrophobicContact CD1-CG 3.46Å; F1159-P1169 VanDerWaalsContact CD1-CG 3.46Å; F1159-P1169 HydrophobicContact CE1-CB 3.73Å; F1159-P1169 HydrophobicContact CE1-CG 4.13Å; F1159-P1169 HydrophobicContact CG-CB 4.33Å; F1159-P1169 HydrophobicContact CG-CG 3.86Å; L1162-P1169 HydrophobicContact CB-CG 4.05Å; L1162-P1169 HydrophobicContact CD1-CB 4.28Å; L1162-P1169 HydrophobicContact CD1-CG 4.13Å; M1163-P1169 HydrophobicContact CE-CG 4.12Å; I1167-P1169 WeakPolarHBondContact O-CD 3.22Å
1170	R	94	Very high	93.3	Very high	142 Å²	142	88.8 Å²	88.8	54%	0.536	50%	0.497	S	S	.	.			trans	-106.6	119.7	-176.9	-60	179.9	-175.5	-101.1	6.4	110.3	C1122 L1124 A1168	C1122-R1170 VanDerWaalsContact O-CD 3.28Å; C1122-R1170 WeakPolarHBondContact O-CD 3.49Å; C1122-R1170 VanDerWaalsContact O-CG 3.24Å; C1122-R1170 WeakPolarHBondContact O-CG 3.49Å; C1122-R1170 PolarHBondContact O-NH1 3.46Å; L1124-R1170 HydrophobicContact CD2-CG 4.48Å; A1168-R1170 PolarHBondContact O-N 2.92Å
1171	M	94.2	Very high	93.1	Very high	31 Å²	31	89.1 Å²	89.1	15%	0.153	50%	0.504	C	S	.	.			trans	-91.2	120.5	172.1	-64.7	172.3	-81.8	0	0	109.3	V1118 G1123 M1125 M1151 F1159	V1118-M1171 HydrophobicContact CG1-CB 4.26Å; V1118-M1171 HydrophobicContact CG1-CE 4.32Å; V1118-M1171 HydrophobicContact CG2-CE 3.57Å; V1118-M1171 HydrophobicContact CG2-SD 4.24Å; G1123-M1171 WeakPolarHBondContact CA-O 3.47Å; G1123-M1171 PolarHBondContact O-N 2.9Å; M1125-M1171 HydrophobicContact CG-CE 4.02Å; M1151-M1171 HydrophobicContact CE-SD 4.42Å; M1151-M1171 HydrophobicContact SD-CE 4.5Å; M1151-M1171 HydrophobicContact SD-SD 4.08Å; F1159-M1171 HydrophobicContact CD2-CE 3.86Å; F1159-M1171 HydrophobicContact CD2-CG 4.46Å; F1159-M1171 HydrophobicContact CD2-SD 4.03Å; F1159-M1171 HydrophobicContact CE2-CE 3.86Å; F1159-M1171 HydrophobicContact CE2-CG 3.61Å; F1159-M1171 HydrophobicContact CE2-SD 3.41Å; F1159-M1171 WeakPolarHBondContact CE2-SD 3.5Å; F1159-M1171 HydrophobicContact CZ-CG 4.08Å; F1159-M1171 HydrophobicContact CZ-SD 4.38Å
1172	M	92.1	Very high	92.7	Very high	150 Å²	150	88 Å²	88	74%	0.739	51%	0.505	S	S	*	.			trans	-105.6	128.2	174.8	-64.8	-169.8	177.1	0	0	109.8
1173	T	85.3	Confident	92.3	Very high	48 Å²	48	91.9 Å²	91.9	29%	0.294	53%	0.53	S	S	.	.			trans	-101.3	126.3	169.1	56.1	0	0	0	0	107.7	N1120 S1147 V1149	N1120-T1173 PolarHBondContact OD1-OG1 2.94Å; S1147-T1173 WeakPolarHBondContact CB-OG1 3.34Å; S1147-T1173 PolarHBondContact OG-OG1 3.42Å; V1149-T1173 HydrophobicContact CG2-CG2 3.73Å
1174	S	68.3	Low	92	Very high	192 Å²	192	94.8 Å²	94.8	100%	1.343	55%	0.551	S	S	*	*			trans	-62.2	0	175	57.1	0	0	0	0	112.3

Retrieved 1,174 of 1,174 residues in 7748.2 ms (Link to these results)

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