A0A077Z2V2_TRITR Loading...

Sodium/potassium-transporting ATPase subunit alpha

This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.

AlphaFold DB , UniProt , Accession A0A077Z2V2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 979 aa.

						>A0A077Z2V2_TRITR|A0A077Z2V2
MHDLKQEMETIPIEELFRRLDTNPQNVNSRHLVLVISFVNAVYPATDPTICSVVLPFSFGSALSYALLLTVSTWRCPRTRKMLQLYLGIVLAAVVIITGCFQYYQEAKSEKIMESFKHMVPSFAKVWRDGKLYEVPTEELVTGDIIEVKGGDRIPADIRLIVAHGLKVDNSSLTGESDPQSRTTECTNSNPLETANIAFFSTNAMEGTGKGVVIYTGDRTVMGRIAHLASGLESGETPIAKELAHFIHLITGVAVFLGVTFFIISLAMGYYWLDAVVFLIGIIVANVPEGLLATVTVCLTLTAKRMAKKNCLVKHLEAVETLGSTSTICSDKTGTLTQNRMTVSHAWYDNSTLLADTSENQEKGRYDLSQPTFVALMRIAGLCNRAEFKSHQEDIPVLKRKCTGDASDIALMKFVELAVGSVASMRQRFKKICEIPFNSTNKFAVTVNAAEDPNDPTCTIYMKGAPERIMERCTTILLNGKEQPLTKAHRDAFDQAYLEFGCLGERVLGFCDYTLPVDKYPRSYPFDGTDVNFPLSGFRFIGLMSMMDPPRAAVPDAVAKCRSAGIKVVMVTGDHPITAKAVAKSVGIISAENETPEDVAMRLGIPVEEVDGTQCKACVVHGGQLREMSKEELDYVIGHYKEIVFARTSPQQKLLIVESCQRNKNIVAVTGDGVNDSPALKQADIGIAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEISPFLMFMLLNIPLPLGTVTILCIDLGTDLWPAISLAYEESEGDIMKRPPRDSRRDKLVNERLISFAYGMIGMMQASAGFFTYFVIMGDNGFMPERLLGLRDEWDSRAVNDLTDSYGQQWTYASRKVLEYTCHTAFFVSIVIVQWADLIISKTRRNSLIQQGMGNWTLNFGIVFETVLAFFLAYCPGLDKGLRMYSLKLWWWFPALPFSILIFIFDESRRAVLRRSKPGSFVERETYY
					

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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	32.5	Very low	56.5	Low	173 Å²	173	92.1 Å²	92.1	85%	0.852	45%	0.454	S	S	*	.				0	-1.3	0	-141.4	-173.9	-92.4	0	0	113.7	R626	M1-R626 HydrophobicContact CE-CG 3.77Å; M1-R626 WeakPolarHBondContact CE-O 3.42Å; M1-R626 HydrophobicContact SD-CG 3.54Å; M1-R626 VanDerWaalsContact SD-CG 3.54Å
2	H	32	Very low	58.7	Low	178 Å²	178	91.1 Å²	91.1	82%	0.824	46%	0.459	S	S	*	.			trans	-84.2	-11.9	-173.2	-96.8	-57.3	0	0	0	116.5
3	D	44	Very low	60.5	Low	134 Å²	134	88.2 Å²	88.2	72%	0.717	45%	0.445	S	S	*	.	S	Bend	trans	-114.1	16.7	-162.7	-61.7	-41.9	0	0	0	117.1	R224	D3-R224 PolarHBondContact O-NH1 3.31Å; D3-R224 VanDerWaalsContact O-NH1 3.08Å
4	L	49.6	Very low	62	Low	74 Å²	74	91.4 Å²	91.4	39%	0.387	46%	0.457	S	S	.	.			trans	-108.3	8.9	173.6	-91.9	164	0	0	0	113.7	Q6	L4-Q6 PolarHBondContact O-N 3.36Å
5	K	48.5	Very low	63.4	Low	183 Å²	183	89.3 Å²	89.3	80%	0.796	45%	0.446	S	S	*	.			trans	-69.6	82.3	159.3	-82.9	-171.2	174.5	-175.5	0	107.3	E7	K5-E7 PolarHBondContact O-N 3.17Å
6	Q	55.7	Low	64.7	Low	8 Å²	8	83.8 Å²	83.8	4%	0.037	42%	0.418	C	S	.	.			trans	-63.2	122.9	159.6	-64	-177.7	-5	0	0	104.4	L4 E9 P191 Y215	L4-Q6 PolarHBondContact O-N 3.36Å; Q6-E9 WeakPolarHBondContact CA-OE2 3.46Å; Q6-E9 VanDerWaalsContact CB-CD 3.48Å; Q6-E9 WeakPolarHBondContact CB-OE1 3.46Å; Q6-E9 WeakPolarHBondContact CB-OE2 3.49Å; Q6-P191 HydrophobicContact CB-CB 4.22Å; Q6-P191 HydrophobicContact CB-CG 4.24Å; Q6-P191 HydrophobicContact CG-CB 4.26Å; Q6-P191 HydrophobicContact CG-CG 4.16Å; Q6-Y215 HydrophobicContact CG-CE2 4.08Å
7	E	62.1	Low	65.7	Low	111 Å²	111	80.6 Å²	80.6	52%	0.519	40%	0.402	S	S	.	.	S	Bend	trans	-87.6	-18.8	173.6	-72.6	-171.6	171.8	0	0	110.6	K5 E9 T10 R19	K5-E7 PolarHBondContact O-N 3.17Å; E7-E9 VanDerWaalsContact C-N 3.33Å; E7-E9 PolarHBondContact O-N 3.07Å; E7-T10 PolarHBondContact O-N 2.92Å; E7-T10 PolarHBondContact O-OG1 3.04Å; E7-T10 VanDerWaalsContact O-OG1 3.05Å; E7-R19 IonicContact OE2-CZ 3.29Å; E7-R19 IonicContact OE2-NH1 2.69Å; E7-R19 PolarHBondContact OE2-NH1 3.34Å; E7-R19 IonicContact OE2-NH2 2.72Å
8	M	69.1	Low	66.5	Low	40 Å²	40	85.9 Å²	85.9	20%	0.197	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.9	-164.3	-61.4	-66.5	-178.5	0	0	113.8	I11 L16 I214	M8-I11 WeakPolarHBondContact O-CG1 3.32Å; M8-I11 HydrophobicContact SD-CD1 3.59Å; M8-I11 VanDerWaalsContact SD-CD1 3.59Å; M8-L16 HydrophobicContact CB-CD1 4.26Å; M8-L16 HydrophobicContact SD-CD1 4.04Å; M8-I214 HydrophobicContact CB-CG2 4.34Å
9	E	70.2	Confident	67.3	Low	4 Å²	4	87.2 Å²	87.2	2%	0.019	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-30.8	176	64.3	-84.4	-151.5	0	0	113.2	Q6 E7 T194 N196 I197	Q6-E9 WeakPolarHBondContact CA-OE2 3.46Å; Q6-E9 VanDerWaalsContact CB-CD 3.48Å; Q6-E9 WeakPolarHBondContact CB-OE1 3.46Å; Q6-E9 WeakPolarHBondContact CB-OE2 3.49Å; E7-E9 VanDerWaalsContact C-N 3.33Å; E7-E9 PolarHBondContact O-N 3.07Å; E9-T194 HydrophobicContact CB-CG2 4.32Å; E9-N196 PolarHBondContact O-ND2 3.41Å; E9-I197 HydrophobicContact CB-CD1 3.66Å; E9-I197 HydrophobicContact CB-CG1 4.38Å
10	T	76	Confident	67.8	Low	89 Å²	89	84.9 Å²	84.9	55%	0.546	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-21.5	-174.8	63.9	0	0	0	0	112.9	E7	E7-T10 PolarHBondContact O-N 2.92Å; E7-T10 PolarHBondContact O-OG1 3.04Å; E7-T10 VanDerWaalsContact O-OG1 3.05Å
11	I	81.6	Confident	68.1	Low	19 Å²	19	86.3 Å²	86.3	10%	0.097	42%	0.416	C	S	.	.	S	Bend	trans	-73.2	143.7	-179.1	58.5	178.6	0	0	0	111.8	M8 E15 L16	M8-I11 WeakPolarHBondContact O-CG1 3.32Å; M8-I11 HydrophobicContact SD-CD1 3.59Å; M8-I11 VanDerWaalsContact SD-CD1 3.59Å; I11-E15 HydrophobicContact CB-CB 4.39Å; I11-E15 HydrophobicContact CB-CG 4.36Å; I11-E15 HydrophobicContact CG2-CG 4.49Å; I11-L16 HydrophobicContact CD1-CB 3.89Å; I11-L16 HydrophobicContact CD1-CD1 3.84Å; I11-L16 HydrophobicContact CG1-CB 4.24Å; I11-L16 HydrophobicContact CG1-CD1 4.47Å
12	P	82.9	Confident	70	Confident	80 Å²	80	78.6 Å²	78.6	52%	0.519	38%	0.378	S	S	.	.			trans	-57.4	151	169.3	-23.8	33.9	0	0	0	112	E14 E15 L16	P12-E14 PolarHBondContact O-N 3.22Å; P12-E15 PolarHBondContact O-N 3.16Å; P12-L16 PolarHBondContact O-N 3.33Å
13	I	82.8	Confident	71.9	Confident	54 Å²	54	74 Å²	74	28%	0.277	36%	0.36	S	S	.	.	H	α-helix	trans	-57.7	-36.6	-178.6	-66.2	173.1	0	0	0	111.4	E15 L16 F17 I161	I13-E15 VanDerWaalsContact C-N 3.29Å; I13-E15 PolarHBondContact O-N 2.92Å; I13-L16 WeakPolarHBondContact O-CB 3.31Å; I13-L16 PolarHBondContact O-N 3.34Å; I13-F17 HydrophobicContact CG2-CD2 3.75Å; I13-F17 HydrophobicContact CG2-CE2 3.28Å; I13-F17 HydrophobicContact CG2-CZ 3.98Å; I13-F17 WeakPolarHBondContact O-CD2 3.16Å; I13-F17 PolarHBondContact O-N 3.49Å; I13-F17 VanDerWaalsContact O-N 3.09Å; I13-I161 HydrophobicContact CG2-CG2 4.07Å
14	E	81	Confident	72.7	Confident	132 Å²	132	71.4 Å²	71.4	62%	0.617	35%	0.351	S	S	*	.	H	α-helix	trans	-67.5	-29.4	178	-56.3	101.3	178.7	0	0	113.3	P12 R18	P12-E14 PolarHBondContact O-N 3.22Å; E14-R18 PolarHBondContact O-N 3.23Å; E14-R18 PolarHBondContact O-NE 2.9Å
15	E	83.7	Confident	73.1	Confident	61 Å²	61	75.5 Å²	75.5	29%	0.285	37%	0.368	S	S	.	.	H	α-helix	trans	-80	-35.7	177	-176.1	60.1	-163.1	0	0	111	I11 P12 I13 F17 R18 R19	I11-E15 HydrophobicContact CB-CB 4.39Å; I11-E15 HydrophobicContact CB-CG 4.36Å; I11-E15 HydrophobicContact CG2-CG 4.49Å; P12-E15 PolarHBondContact O-N 3.16Å; I13-E15 VanDerWaalsContact C-N 3.29Å; I13-E15 PolarHBondContact O-N 2.92Å; E15-F17 VanDerWaalsContact C-N 3.33Å; E15-F17 PolarHBondContact O-N 3.48Å; E15-R18 PolarHBondContact O-N 3.43Å; E15-R18 IonicContact OE2-CZ 3.36Å; E15-R18 IonicContact OE2-NE 2.88Å; E15-R18 IonicContact OE2-NH1 2.64Å; E15-R18 PolarHBondContact OE2-NH1 2.88Å; E15-R18 VanDerWaalsContact OE2-NH1 3.11Å; E15-R19 WeakPolarHBondContact O-CG 3.5Å; E15-R19 PolarHBondContact O-N 2.78Å; E15-R19 IonicContact OE1-NE 3.64Å
16	L	83.1	Confident	73.3	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-57.2	-46.9	171.4	-179.3	74.6	0	0	0	111.2	M8 I11 P12 I13 R18 R19 L20 R159 V212 I214	M8-L16 HydrophobicContact CB-CD1 4.26Å; M8-L16 HydrophobicContact SD-CD1 4.04Å; I11-L16 HydrophobicContact CD1-CB 3.89Å; I11-L16 HydrophobicContact CD1-CD1 3.84Å; I11-L16 HydrophobicContact CG1-CB 4.24Å; I11-L16 HydrophobicContact CG1-CD1 4.47Å; P12-L16 PolarHBondContact O-N 3.33Å; I13-L16 WeakPolarHBondContact O-CB 3.31Å; I13-L16 PolarHBondContact O-N 3.34Å; L16-R18 VanDerWaalsContact C-N 3.32Å; L16-R18 PolarHBondContact O-N 2.88Å; L16-R19 PolarHBondContact O-N 2.67Å; L16-L20 HydrophobicContact CD1-CD1 3.77Å; L16-L20 HydrophobicContact CD1-CG 4.45Å; L16-L20 HydrophobicContact CG-CD1 4.09Å; L16-L20 PolarHBondContact O-N 3.47Å; L16-L20 VanDerWaalsContact O-N 3.07Å; L16-R159 HydrophobicContact CD2-CB 4Å; L16-R159 HydrophobicContact CD2-CG 3.63Å; L16-V212 HydrophobicContact CD2-CB 4.26Å; L16-V212 HydrophobicContact CD2-CG2 4.25Å; L16-I214 HydrophobicContact CD1-CG2 4.32Å
17	F	82.3	Confident	73.3	Confident	30 Å²	30	71.2 Å²	71.2	13%	0.132	35%	0.354	C	S	.	.	H	α-helix	trans	-60.3	-40.6	177.2	-75.9	-45.6	0	0	0	112.5	I13 E15 D21 T22 P24 I145 I161 V212	I13-F17 HydrophobicContact CG2-CD2 3.75Å; I13-F17 HydrophobicContact CG2-CE2 3.28Å; I13-F17 HydrophobicContact CG2-CZ 3.98Å; I13-F17 WeakPolarHBondContact O-CD2 3.16Å; I13-F17 PolarHBondContact O-N 3.49Å; I13-F17 VanDerWaalsContact O-N 3.09Å; E15-F17 VanDerWaalsContact C-N 3.33Å; E15-F17 PolarHBondContact O-N 3.48Å; F17-D21 PolarHBondContact O-N 3.33Å; F17-D21 VanDerWaalsContact O-N 3.14Å; F17-T22 VanDerWaalsContact CB-O 3.27Å; F17-T22 WeakPolarHBondContact CB-O 3.35Å; F17-T22 HydrophobicContact CD1-CG2 3.64Å; F17-T22 WeakPolarHBondContact CD1-O 3.43Å; F17-T22 HydrophobicContact CE1-CG2 4.27Å; F17-T22 PolarHBondContact O-N 2.72Å; F17-T22 VanDerWaalsContact O-N 3.08Å; F17-P24 HydrophobicContact CD2-CG 4.43Å; F17-P24 HydrophobicContact CE2-CB 4Å; F17-P24 HydrophobicContact CE2-CG 3.98Å; F17-P24 HydrophobicContact CZ-CB 3.84Å; F17-P24 HydrophobicContact CZ-CG 4.25Å; F17-I145 HydrophobicContact CE1-CD1 4.49Å; F17-I161 HydrophobicContact CZ-CG2 4.1Å; F17-V212 HydrophobicContact CD1-CG2 4.49Å; F17-V212 HydrophobicContact CE1-CG2 3.71Å; F17-V212 HydrophobicContact CZ-CG2 4.37Å
18	R	80.4	Confident	72.9	Confident	176 Å²	176	70.5 Å²	70.5	66%	0.664	35%	0.354	S	S	*	.	H	α-helix	trans	-66	-43.3	175.1	-80.7	-176	-106.7	165.2	-14.3	113	E14 E15 L16 L20 D21	E14-R18 PolarHBondContact O-N 3.23Å; E14-R18 PolarHBondContact O-NE 2.9Å; E15-R18 PolarHBondContact O-N 3.43Å; E15-R18 IonicContact OE2-CZ 3.36Å; E15-R18 IonicContact OE2-NE 2.88Å; E15-R18 IonicContact OE2-NH1 2.64Å; E15-R18 PolarHBondContact OE2-NH1 2.88Å; E15-R18 VanDerWaalsContact OE2-NH1 3.11Å; L16-R18 VanDerWaalsContact C-N 3.32Å; L16-R18 PolarHBondContact O-N 2.88Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 2.95Å; R18-D21 PolarHBondContact O-N 2.99Å
19	R	80.4	Confident	72.1	Confident	110 Å²	110	71 Å²	71	42%	0.415	36%	0.362	S	S	.	.	H	α-helix	trans	-66.9	-32.4	-179.5	-75.1	-170.6	-179.5	-160.7	-2.9	113	E7 E15 L16	E7-R19 IonicContact OE2-CZ 3.29Å; E7-R19 IonicContact OE2-NH1 2.69Å; E7-R19 PolarHBondContact OE2-NH1 3.34Å; E7-R19 IonicContact OE2-NH2 2.72Å; E15-R19 WeakPolarHBondContact O-CG 3.5Å; E15-R19 PolarHBondContact O-N 2.78Å; E15-R19 IonicContact OE1-NE 3.64Å; L16-R19 PolarHBondContact O-N 2.67Å
20	L	77.4	Confident	71	Confident	40 Å²	40	81.3 Å²	81.3	21%	0.209	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	6.2	-177.4	-63.4	177.3	0	0	0	113.8	L16 R18 T22 V212 I214	L16-L20 HydrophobicContact CD1-CD1 3.77Å; L16-L20 HydrophobicContact CD1-CG 4.45Å; L16-L20 HydrophobicContact CG-CD1 4.09Å; L16-L20 PolarHBondContact O-N 3.47Å; L16-L20 VanDerWaalsContact O-N 3.07Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 2.95Å; L20-T22 HydrophobicContact CB-CG2 3.73Å; L20-T22 PolarHBondContact O-N 3.05Å; L20-V212 HydrophobicContact CD1-CG1 3.69Å; L20-I214 HydrophobicContact CD1-CG2 4.49Å
21	D	74.2	Confident	69.9	Low	116 Å²	116	81.9 Å²	81.9	62%	0.62	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	43.4	-175.2	-162.4	33.6	0	0	0	113.2	F17 R18 H31	F17-D21 PolarHBondContact O-N 3.33Å; F17-D21 VanDerWaalsContact O-N 3.14Å; R18-D21 PolarHBondContact O-N 2.99Å; D21-H31 IonicContact OD2-CE1 3.39Å; D21-H31 PolarHBondContact OD2-CE1 3.25Å; D21-H31 IonicContact OD2-ND1 3.71Å; D21-H31 PolarHBondContact OD2-ND1 3.19Å
22	T	73.7	Confident	68.5	Low	10 Å²	10	81.8 Å²	81.8	6%	0.061	40%	0.396	C	S	.	.			trans	-123.8	144.9	-175.4	-173.8	0	0	0	0	110.8	F17 L20 G143 V212	F17-T22 VanDerWaalsContact CB-O 3.27Å; F17-T22 WeakPolarHBondContact CB-O 3.35Å; F17-T22 HydrophobicContact CD1-CG2 3.64Å; F17-T22 WeakPolarHBondContact CD1-O 3.43Å; F17-T22 HydrophobicContact CE1-CG2 4.27Å; F17-T22 PolarHBondContact O-N 2.72Å; F17-T22 VanDerWaalsContact O-N 3.08Å; L20-T22 HydrophobicContact CB-CG2 3.73Å; L20-T22 PolarHBondContact O-N 3.05Å; T22-G143 WeakPolarHBondContact CB-O 3.29Å; T22-G143 PolarHBondContact OG1-O 3.42Å; T22-V212 HydrophobicContact CG2-CG1 3.97Å
23	N	70.4	Confident	66.9	Low	81 Å²	81	83.7 Å²	83.7	43%	0.433	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-116.8	137.9	-178	-179.5	-32.2	0	0	0	109.7	Q25 N26 I145	N23-Q25 PolarHBondContact O-N 3.04Å; N23-Q25 PolarHBondContact OD1-N 2.87Å; N23-N26 WeakPolarHBondContact CB-O 3.41Å; N23-N26 PolarHBondContact O-N 3.39Å; N23-I145 WeakPolarHBondContact O-CD1 3.37Å
24	P	61.6	Low	65.2	Low	81 Å²	81	88.2 Å²	88.2	53%	0.526	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-17	177.7	18.2	-31.9	0	0	0	115.5	F17	F17-P24 HydrophobicContact CD2-CG 4.43Å; F17-P24 HydrophobicContact CE2-CB 4Å; F17-P24 HydrophobicContact CE2-CG 3.98Å; F17-P24 HydrophobicContact CZ-CB 3.84Å; F17-P24 HydrophobicContact CZ-CG 4.25Å
25	Q	57.9	Low	63.9	Low	160 Å²	160	84.9 Å²	84.9	75%	0.748	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-12.2	176.4	-65.4	-176	-3.8	0	0	114.9	N23	N23-Q25 PolarHBondContact O-N 3.04Å; N23-Q25 PolarHBondContact OD1-N 2.87Å
26	N	53	Low	62.4	Low	83 Å²	83	87.1 Å²	87.1	44%	0.444	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-159.1	110.9	-172.4	-105.8	-9.5	0	0	0	112.9	N23 D129 G130	N23-N26 WeakPolarHBondContact CB-O 3.41Å; N23-N26 PolarHBondContact O-N 3.39Å; N26-D129 VanDerWaalsContact OD1-C 3.31Å; N26-D129 WeakPolarHBondContact OD1-CA 3.35Å; N26-G130 PolarHBondContact OD1-N 3.18Å
27	V	55	Low	60.8	Low	17 Å²	17	91.4 Å²	91.4	10%	0.103	46%	0.461	C	S	.	.			trans	-83.6	115.7	153.5	-173.7	0	0	0	0	106.1	S29	V27-S29 PolarHBondContact O-N 3.45Å; V27-S29 VanDerWaalsContact O-N 3.14Å
28	N	53.4	Low	59.6	Low	97 Å²	97	96.2 Å²	96.2	52%	0.519	48%	0.482	S	S	.	.			trans	-67.2	112	-178.8	-165	-8.9	0	0	0	108.8	R30 H31	N28-R30 PolarHBondContact O-N 3.32Å; N28-H31 PolarHBondContact O-N 2.87Å
29	S	52.9	Low	59	Low	51 Å²	51	90.6 Å²	90.6	36%	0.357	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-14.4	-176.1	40.6	0	0	0	0	114.5	V27 D129	V27-S29 PolarHBondContact O-N 3.45Å; V27-S29 VanDerWaalsContact O-N 3.14Å; S29-D129 VanDerWaalsContact CB-OD2 3.26Å; S29-D129 WeakPolarHBondContact CB-OD2 3.4Å; S29-D129 VanDerWaalsContact OG-CG 3.31Å; S29-D129 PolarHBondContact OG-OD1 3.14Å; S29-D129 PolarHBondContact OG-OD2 3.03Å
30	R	48	Very low	58.6	Low	219 Å²	219	85.5 Å²	85.5	83%	0.826	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-21	173.1	-76.3	-177.3	174	173.1	-1	115.5	N28 L32	N28-R30 PolarHBondContact O-N 3.32Å; R30-L32 VanDerWaalsContact C-N 3.33Å
31	H	52	Low	58.4	Low	101 Å²	101	84.7 Å²	84.7	47%	0.468	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-20.7	176.5	-114.1	131.7	0	0	0	112.7	D21 N28 V33 L34	D21-H31 IonicContact OD2-CE1 3.39Å; D21-H31 PolarHBondContact OD2-CE1 3.25Å; D21-H31 IonicContact OD2-ND1 3.71Å; D21-H31 PolarHBondContact OD2-ND1 3.19Å; N28-H31 PolarHBondContact O-N 2.87Å; H31-V33 PolarHBondContact O-N 3.31Å; H31-L34 PolarHBondContact O-N 2.94Å
32	L	52.9	Low	58	Low	17 Å²	17	79.8 Å²	79.8	9%	0.089	42%	0.422	C	S	.	.	H	α-helix	trans	-64.1	-33.3	-176	-80.2	151.8	0	0	0	113.6	R30 L34 V35 I36 V141	R30-L32 VanDerWaalsContact C-N 3.33Å; L32-L34 VanDerWaalsContact C-N 3.25Å; L32-L34 PolarHBondContact O-N 3.16Å; L32-V35 PolarHBondContact O-N 3.28Å; L32-I36 VanDerWaalsContact O-CD1 3.24Å; L32-I36 WeakPolarHBondContact O-CD1 3.19Å; L32-I36 WeakPolarHBondContact O-CG1 3.25Å; L32-I36 PolarHBondContact O-N 3.1Å; L32-V141 HydrophobicContact CD2-CB 4.44Å; L32-V141 HydrophobicContact CD2-CG1 4.23Å; L32-V141 HydrophobicContact CD2-CG2 3.36Å
33	V	48.3	Very low	57.5	Low	121 Å²	121	84.6 Å²	84.6	73%	0.733	44%	0.44	S	S	*	.	H	α-helix	trans	-68.7	-21.5	-174.2	-177.3	0	0	0	0	113.1	H31	H31-V33 PolarHBondContact O-N 3.31Å
34	L	47.6	Very low	57	Low	149 Å²	149	83.8 Å²	83.8	78%	0.78	44%	0.439	S	S	*	.	H	α-helix	trans	-90.9	-20.3	178.7	-106.1	144.5	0	0	0	113.7	H31 L32 S37	H31-L34 PolarHBondContact O-N 2.94Å; L32-L34 VanDerWaalsContact C-N 3.25Å; L32-L34 PolarHBondContact O-N 3.16Å; L34-S37 PolarHBondContact O-OG 3.01Å
35	V	53.4	Low	56.8	Low	61 Å²	61	82.2 Å²	82.2	37%	0.37	43%	0.433	S	S	.	.	H	α-helix	trans	-98.9	-13	-175.5	-174.4	0	0	0	0	112.8	L32 S37 V141	L32-V35 PolarHBondContact O-N 3.28Å; V35-S37 PolarHBondContact O-N 2.88Å; V35-V141 HydrophobicContact CG1-CB 4.22Å; V35-V141 HydrophobicContact CG1-CG1 4.34Å
36	I	53.1	Low	56.7	Low	109 Å²	109	81.3 Å²	81.3	56%	0.559	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	9.1	176.9	-71.9	162	0	0	0	113.7	L32 F38	L32-I36 VanDerWaalsContact O-CD1 3.24Å; L32-I36 WeakPolarHBondContact O-CD1 3.19Å; L32-I36 WeakPolarHBondContact O-CG1 3.25Å; L32-I36 PolarHBondContact O-N 3.1Å; I36-F38 PolarHBondContact O-N 2.93Å
37	S	48.6	Very low	56.7	Low	90 Å²	90	83 Å²	83	63%	0.629	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.1	172.8	7	0	0	0	0	113.6	L34 V35	L34-S37 PolarHBondContact O-OG 3.01Å; V35-S37 PolarHBondContact O-N 2.88Å
38	F	57.3	Low	56.6	Low	131 Å²	131	85.1 Å²	85.1	58%	0.575	46%	0.461	S	S	*	.	S	Bend	trans	-127.7	112.5	178.8	-64.9	-83	0	0	0	111.2	I36	I36-F38 PolarHBondContact O-N 2.93Å
39	V	67.4	Low	56.4	Low	58 Å²	58	85 Å²	85	35%	0.352	46%	0.464	S	S	.	.			trans	-68.4	137.8	175	-175.9	0	0	0	0	108.9	A41 E138	V39-A41 HydrophobicContact CB-CB 4.45Å; V39-A41 HydrophobicContact CG1-CB 3.83Å; V39-A41 PolarHBondContact O-N 2.83Å; V39-E138 HydrophobicContact CG1-CB 3.76Å; V39-E138 HydrophobicContact CG1-CG 4.06Å
40	N	73.3	Confident	56.2	Low	3 Å²	3	87.8 Å²	87.8	2%	0.016	47%	0.474	C	S	.	.	S	Bend	trans	-75.8	67.7	171.3	-177.5	38.8	0	0	0	110.4	T137 E138 L140 P155 T216 G217	N40-T137 WeakPolarHBondContact CB-O 3.37Å; N40-T137 WeakPolarHBondContact ND2-CG2 3.35Å; N40-T137 PolarHBondContact ND2-O 3Å; N40-E138 PolarHBondContact N-O 2.8Å; N40-E138 VanDerWaalsContact N-O 3.1Å; N40-L140 HydrophobicContact CB-CB 4.37Å; N40-L140 WeakPolarHBondContact CB-O 3.42Å; N40-P155 PolarHBondContact ND2-O 2.79Å; N40-T216 HydrophobicContact CB-CG2 4.39Å; N40-T216 WeakPolarHBondContact OD1-CA 3.31Å; N40-T216 WeakPolarHBondContact OD1-CB 3.46Å; N40-G217 PolarHBondContact OD1-N 2.97Å
41	A	72.2	Confident	56.1	Low	24 Å²	24	81.2 Å²	81.2	20%	0.198	46%	0.461	C	S	.	.	S	Bend	trans	-137.6	156.8	178	0	0	0	0	0	109.9	V39 G217	V39-A41 HydrophobicContact CB-CB 4.45Å; V39-A41 HydrophobicContact CG1-CB 3.83Å; V39-A41 PolarHBondContact O-N 2.83Å; A41-G217 WeakPolarHBondContact O-CA 3.22Å
42	V	66.2	Low	55.9	Low	12 Å²	12	79 Å²	79	7%	0.073	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-92.7	123.4	172.6	-179.7	0	0	0	0	108.2	M113 F200 D218 A226	V42-M113 HydrophobicContact CG1-CE 4.41Å; V42-M113 HydrophobicContact CG1-SD 3.95Å; V42-F200 HydrophobicContact CG2-CE1 4.25Å; V42-D218 VanDerWaalsContact CA-OD1 3.31Å; V42-D218 WeakPolarHBondContact CA-OD1 3.33Å; V42-D218 WeakPolarHBondContact CG1-OD1 3.39Å; V42-A226 HydrophobicContact CG1-CB 3.91Å
43	Y	63.6	Low	55.8	Low	111 Å²	111	79.9 Å²	79.9	44%	0.435	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-84.6	138.9	-175.9	-71.2	-85.9	0	0	0	111.8	M113 D218	Y43-M113 WeakPolarHBondContact O-CE 3.4Å; Y43-D218 WeakPolarHBondContact CD2-OD2 3.22Å; Y43-D218 PolarHBondContact N-OD1 2.97Å
44	P	59.8	Low	55.7	Low	65 Å²	65	76.2 Å²	76.2	42%	0.422	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-61.2	143.1	169.9	25.7	-31.2	0	0	0	110.9	M113	P44-M113 HydrophobicContact CB-CB 4.36Å; P44-M113 HydrophobicContact CB-CG 3.88Å
45	A	56.9	Low	55.6	Low	47 Å²	47	74 Å²	74	39%	0.388	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-61	147.3	159.9	0	0	0	0	0	108.4	D47	A45-D47 PolarHBondContact O-N 2.96Å; A45-D47 VanDerWaalsContact O-N 3.13Å
46	T	55.3	Low	55.5	Low	141 Å²	141	75.2 Å²	75.2	87%	0.865	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-60.4	116.5	179.8	42.7	0	0	0	0	110.3
47	D	54.4	Low	55.2	Low	118 Å²	118	77.1 Å²	77.1	63%	0.631	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-57.2	134.4	176.2	-66	-28.4	0	0	0	110	A45 T49	A45-D47 PolarHBondContact O-N 2.96Å; A45-D47 VanDerWaalsContact O-N 3.13Å; D47-T49 PolarHBondContact O-N 3.14Å; D47-T49 VanDerWaalsContact O-N 3.1Å
48	P	51.2	Low	55.3	Low	62 Å²	62	74.1 Å²	74.1	40%	0.403	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-60.1	119	167.8	25.4	-30.4	0	0	0	108	I50 S52 V53 E110	P48-I50 PolarHBondContact O-N 2.76Å; P48-S52 WeakPolarHBondContact CB-OG 3.4Å; P48-V53 HydrophobicContact CB-CG2 4.48Å; P48-E110 WeakPolarHBondContact CG-OE1 3.39Å
49	T	51.2	Low	54.8	Low	94 Å²	94	70.7 Å²	70.7	58%	0.577	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-55.2	144.8	177.3	57.5	0	0	0	0	110.1	D47 C51 S52	D47-T49 PolarHBondContact O-N 3.14Å; D47-T49 VanDerWaalsContact O-N 3.1Å; T49-C51 CarbonylContact O-C 3.55Å; T49-C51 PolarHBondContact O-N 3.21Å; T49-S52 PolarHBondContact N-OG 2.88Å; T49-S52 WeakPolarHBondContact O-CB 3.25Å; T49-S52 PolarHBondContact O-N 2.87Å; T49-S52 PolarHBondContact O-OG 2.87Å
50	I	48.6	Very low	53.7	Low	111 Å²	111	70.5 Å²	70.5	57%	0.569	42%	0.416	S	S	*	.	H	α-helix	trans	-44.2	-35.3	176.3	-62.7	170.8	0	0	0	111.9	P48 S52 V53 V54 Y103	P48-I50 PolarHBondContact O-N 2.76Å; I50-S52 PolarHBondContact O-N 2.82Å; I50-V53 PolarHBondContact O-N 2.72Å; I50-V54 HydrophobicContact CG2-CG2 4.23Å; I50-V54 WeakPolarHBondContact O-CG2 3.37Å; I50-V54 PolarHBondContact O-N 3.25Å; I50-Y103 HydrophobicContact CG2-CE2 4.19Å
51	C	44.5	Very low	52.7	Low	80 Å²	80	73.7 Å²	73.7	54%	0.541	44%	0.438	S	S	.	.	H	α-helix	trans	-60	-41.5	175.1	-75.4	0	0	0	0	113.7	T49 V53 L55	T49-C51 CarbonylContact O-C 3.55Å; T49-C51 PolarHBondContact O-N 3.21Å; C51-V53 VanDerWaalsContact C-N 3.29Å; C51-V53 PolarHBondContact O-N 2.84Å; C51-L55 HydrophobicContact CB-CD1 3.91Å; C51-L55 WeakPolarHBondContact O-CB 3.48Å; C51-L55 WeakPolarHBondContact O-CD1 3.21Å; C51-L55 WeakPolarHBondContact O-CG 3.23Å; C51-L55 PolarHBondContact O-N 3.11Å; C51-L55 VanDerWaalsContact O-N 3.15Å
52	S	49.2	Very low	51.7	Low	54 Å²	54	74 Å²	74	38%	0.378	44%	0.441	S	S	.	.	H	α-helix	trans	-69.2	-23.8	-176.9	61.6	0	0	0	0	114.2	P48 T49 I50 P56	P48-S52 WeakPolarHBondContact CB-OG 3.4Å; T49-S52 PolarHBondContact N-OG 2.88Å; T49-S52 WeakPolarHBondContact O-CB 3.25Å; T49-S52 PolarHBondContact O-N 2.87Å; T49-S52 PolarHBondContact O-OG 2.87Å; I50-S52 PolarHBondContact O-N 2.82Å; S52-P56 WeakPolarHBondContact O-CD 3.31Å; S52-P56 WeakPolarHBondContact O-CG 3.46Å
53	V	49.3	Very low	50.9	Low	37 Å²	37	76.6 Å²	76.6	22%	0.224	45%	0.454	C	S	.	.	H	α-helix	trans	-89.5	-42.8	178.2	173.4	0	0	0	0	111.6	P48 I50 C51 P56 Y103 E106	P48-V53 HydrophobicContact CB-CG2 4.48Å; I50-V53 PolarHBondContact O-N 2.72Å; C51-V53 VanDerWaalsContact C-N 3.29Å; C51-V53 PolarHBondContact O-N 2.84Å; V53-P56 WeakPolarHBondContact O-CD 3.4Å; V53-Y103 HydrophobicContact CG1-CD2 4.05Å; V53-E106 WeakPolarHBondContact CG1-OE2 3.45Å
54	V	46.2	Very low	50.4	Low	44 Å²	44	73.7 Å²	73.7	27%	0.267	45%	0.45	S	S	.	.	H	α-helix	trans	-78.5	-32.6	-173.2	178.4	0	0	0	0	112.4	I50 F59 Y103	I50-V54 HydrophobicContact CG2-CG2 4.23Å; I50-V54 WeakPolarHBondContact O-CG2 3.37Å; I50-V54 PolarHBondContact O-N 3.25Å; V54-F59 HydrophobicContact CG1-CD2 3.93Å; V54-F59 HydrophobicContact CG1-CE2 3.56Å; V54-F59 HydrophobicContact CG1-CZ 4.12Å; V54-F59 WeakPolarHBondContact O-CD2 3.43Å; V54-Y103 HydrophobicContact CG2-CD2 3.68Å; V54-Y103 HydrophobicContact CG2-CE2 4.24Å; V54-Y103 HydrophobicContact CG2-CG 4.21Å
55	L	46.2	Very low	50.3	Low	102 Å²	102	74.7 Å²	74.7	53%	0.534	45%	0.446	S	S	.	.	H	α-helix	trans	-77.4	-36	-172.5	-77.9	158.7	0	0	0	116.7	C51 F59	C51-L55 HydrophobicContact CB-CD1 3.91Å; C51-L55 WeakPolarHBondContact O-CB 3.48Å; C51-L55 WeakPolarHBondContact O-CD1 3.21Å; C51-L55 WeakPolarHBondContact O-CG 3.23Å; C51-L55 PolarHBondContact O-N 3.11Å; C51-L55 VanDerWaalsContact O-N 3.15Å; L55-F59 HydrophobicContact CD2-CB 4.5Å
56	P	50.5	Low	50.2	Low	87 Å²	87	73 Å²	73	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-76.9	-35.8	-166.8	-15.8	28.9	0	0	0	115.1	S52 V53	S52-P56 WeakPolarHBondContact O-CD 3.31Å; S52-P56 WeakPolarHBondContact O-CG 3.46Å; V53-P56 WeakPolarHBondContact O-CD 3.4Å
57	F	48.5	Very low	50.2	Low	148 Å²	148	71.7 Å²	71.7	65%	0.649	42%	0.419	S	S	*	.	H	α-helix	trans	-97.5	-20.5	-161.5	-101.9	-88.1	0	0	0	116.3
58	S	49.9	Very low	50.5	Low	27 Å²	27	71 Å²	71	19%	0.189	42%	0.415	C	S	.	.	S	Bend	trans	-140.1	-15.3	-175.5	-56.2	0	0	0	0	114.8	V95	S58-V95 WeakPolarHBondContact O-CG1 3.37Å
59	F	45.5	Very low	50.8	Low	60 Å²	60	68.2 Å²	68.2	26%	0.263	40%	0.397	S	S	.	.	S	Bend	trans	-90.9	-19.9	-170.7	-91	-100.5	0	0	0	114.7	V54 L55 L63 I96	V54-F59 HydrophobicContact CG1-CD2 3.93Å; V54-F59 HydrophobicContact CG1-CE2 3.56Å; V54-F59 HydrophobicContact CG1-CZ 4.12Å; V54-F59 WeakPolarHBondContact O-CD2 3.43Å; L55-F59 HydrophobicContact CD2-CB 4.5Å; F59-L63 HydrophobicContact CB-CD1 4.38Å; F59-L63 HydrophobicContact CD1-CD1 3.17Å; F59-L63 HydrophobicContact CE1-CD1 3.56Å; F59-L63 HydrophobicContact CG-CD1 3.99Å; F59-L63 WeakPolarHBondContact O-CB 3.33Å; F59-I96 HydrophobicContact CZ-CG1 4.43Å
60	G	46.1	Very low	51.1	Low	53 Å²	53	65.7 Å²	65.7	55%	0.546	38%	0.381	S	S	.	.	S	Bend	trans	-78.8	-51.3	-175.7	0	0	0	0	0	114	S64	G60-S64 WeakPolarHBondContact O-CB 3.38Å; G60-S64 PolarHBondContact O-N 3.33Å; G60-S64 PolarHBondContact O-OG 3.16Å
61	S	51.8	Low	51.5	Low	70 Å²	70	64.8 Å²	64.8	49%	0.49	38%	0.381	S	S	.	.	H	α-helix	trans	-82.6	-53.6	-171.6	58.3	0	0	0	0	111.9	L63 S64 Y65	S61-L63 PolarHBondContact O-N 2.83Å; S61-S64 PolarHBondContact O-N 2.98Å; S61-S64 VanDerWaalsContact O-N 3.17Å; S61-S64 PolarHBondContact O-OG 2.63Å; S61-Y65 VanDerWaalsContact C-CD2 3.44Å; S61-Y65 WeakPolarHBondContact O-CD2 3.44Å; S61-Y65 PolarHBondContact O-N 3.44Å
62	A	50.2	Low	52.1	Low	31 Å²	31	62.1 Å²	62.1	26%	0.256	36%	0.362	S	S	.	.	H	α-helix	trans	-66.8	-40.4	-173.8	0	0	0	0	0	114.2	Y65 A66 V95	A62-Y65 WeakPolarHBondContact O-CB 3.46Å; A62-Y65 PolarHBondContact O-N 2.95Å; A62-A66 PolarHBondContact O-N 2.61Å; A62-V95 HydrophobicContact CB-CB 4.48Å; A62-V95 HydrophobicContact CB-CG1 4.23Å; A62-V95 HydrophobicContact CB-CG2 3.44Å; A62-V95 VanDerWaalsContact CB-CG2 3.44Å
63	L	50	Low	52.3	Low	66 Å²	66	60.1 Å²	60.1	35%	0.346	35%	0.348	S	S	.	.	H	α-helix	trans	-69.4	-32.8	173.1	-99.2	147.4	0	0	0	112.1	F59 S61 Y65 A66 L67	F59-L63 HydrophobicContact CB-CD1 4.38Å; F59-L63 HydrophobicContact CD1-CD1 3.17Å; F59-L63 HydrophobicContact CE1-CD1 3.56Å; F59-L63 HydrophobicContact CG-CD1 3.99Å; F59-L63 WeakPolarHBondContact O-CB 3.33Å; S61-L63 PolarHBondContact O-N 2.83Å; L63-Y65 VanDerWaalsContact C-N 3.31Å; L63-A66 PolarHBondContact O-N 2.96Å; L63-L67 WeakPolarHBondContact O-CB 3.33Å; L63-L67 PolarHBondContact O-N 2.98Å
64	S	53.8	Low	52.5	Low	50 Å²	50	68.5 Å²	68.5	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-65.7	-35.7	170.9	77.9	0	0	0	0	111.7	G60 S61 L67 L68	G60-S64 WeakPolarHBondContact O-CB 3.38Å; G60-S64 PolarHBondContact O-N 3.33Å; G60-S64 PolarHBondContact O-OG 3.16Å; S61-S64 PolarHBondContact O-N 2.98Å; S61-S64 VanDerWaalsContact O-N 3.17Å; S61-S64 PolarHBondContact O-OG 2.63Å; S64-L67 PolarHBondContact O-N 3.42Å; S64-L68 VanDerWaalsContact O-CB 3.27Å; S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 WeakPolarHBondContact O-CD1 3.49Å; S64-L68 WeakPolarHBondContact O-CG 3.34Å; S64-L68 PolarHBondContact O-N 3.08Å
65	Y	58	Low	52.9	Low	87 Å²	87	77 Å²	77	34%	0.341	40%	0.403	S	S	.	.	H	α-helix	trans	-68.5	-42.5	173.8	-67.7	-60.4	0	0	0	112.3	S61 A62 L63 L67 L68 L69 I283	S61-Y65 VanDerWaalsContact C-CD2 3.44Å; S61-Y65 WeakPolarHBondContact O-CD2 3.44Å; S61-Y65 PolarHBondContact O-N 3.44Å; A62-Y65 WeakPolarHBondContact O-CB 3.46Å; A62-Y65 PolarHBondContact O-N 2.95Å; L63-Y65 VanDerWaalsContact C-N 3.31Å; Y65-L67 VanDerWaalsContact C-N 3.34Å; Y65-L68 PolarHBondContact O-N 3.23Å; Y65-L69 WeakPolarHBondContact O-CB 3.11Å; Y65-L69 WeakPolarHBondContact O-CG 3.19Å; Y65-L69 PolarHBondContact O-N 3.29Å; Y65-I283 HydrophobicContact CE1-CD1 4.34Å
66	A	54	Low	53.3	Low	10 Å²	10	73.1 Å²	73.1	8%	0.083	38%	0.384	C	S	.	.	H	α-helix	trans	-65.5	-36.6	173.8	0	0	0	0	0	112.2	A62 L63 T70	A62-A66 PolarHBondContact O-N 2.61Å; L63-A66 PolarHBondContact O-N 2.96Å; A66-T70 WeakPolarHBondContact O-CB 3.42Å; A66-T70 WeakPolarHBondContact O-CG2 3.41Å; A66-T70 PolarHBondContact O-N 2.94Å; A66-T70 PolarHBondContact O-OG1 3.36Å
67	L	56	Low	53.5	Low	114 Å²	114	73.3 Å²	73.3	60%	0.597	39%	0.385	S	S	*	.	H	α-helix	trans	-67.9	-42.4	173.6	-161.6	83.8	0	0	0	111.1	L63 S64 Y65 T70 V71	L63-L67 WeakPolarHBondContact O-CB 3.33Å; L63-L67 PolarHBondContact O-N 2.98Å; S64-L67 PolarHBondContact O-N 3.42Å; Y65-L67 VanDerWaalsContact C-N 3.34Å; L67-T70 VanDerWaalsContact CA-OG1 3.27Å; L67-T70 WeakPolarHBondContact CA-OG1 3.23Å; L67-T70 PolarHBondContact O-N 3.35Å; L67-T70 PolarHBondContact O-OG1 3.23Å; L67-V71 HydrophobicContact CG-CG2 4.49Å; L67-V71 VanDerWaalsContact O-CB 3.32Å; L67-V71 WeakPolarHBondContact O-CB 3.43Å; L67-V71 WeakPolarHBondContact O-CG2 3.29Å; L67-V71 PolarHBondContact O-N 3.23Å
68	L	59.3	Low	53.6	Low	103 Å²	103	77 Å²	77	54%	0.539	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-40.4	175.8	-77.7	164.1	0	0	0	111.6	S64 Y65 V71 S72	S64-L68 VanDerWaalsContact O-CB 3.27Å; S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 WeakPolarHBondContact O-CD1 3.49Å; S64-L68 WeakPolarHBondContact O-CG 3.34Å; S64-L68 PolarHBondContact O-N 3.08Å; Y65-L68 PolarHBondContact O-N 3.23Å; L68-V71 PolarHBondContact O-N 2.9Å; L68-S72 VanDerWaalsContact O-CB 3.31Å; L68-S72 WeakPolarHBondContact O-CB 3.42Å; L68-S72 PolarHBondContact O-N 2.94Å; L68-S72 PolarHBondContact O-OG 3.39Å
69	L	58.7	Low	53.7	Low	5 Å²	5	79.4 Å²	79.4	3%	0.026	41%	0.409	C	S	.	.	H	α-helix	trans	-59.6	-51.9	171.8	-82.9	171	0	0	0	110.9	Y65 V71 S72 T73 L91 I280	Y65-L69 WeakPolarHBondContact O-CB 3.11Å; Y65-L69 WeakPolarHBondContact O-CG 3.19Å; Y65-L69 PolarHBondContact O-N 3.29Å; L69-V71 VanDerWaalsContact C-N 3.35Å; L69-V71 PolarHBondContact O-N 3.48Å; L69-S72 PolarHBondContact O-N 3.47Å; L69-S72 PolarHBondContact O-OG 3.41Å; L69-T73 WeakPolarHBondContact O-CG2 3.44Å; L69-T73 PolarHBondContact O-N 3.16Å; L69-T73 VanDerWaalsContact O-N 3.11Å; L69-L91 HydrophobicContact CD1-CD1 4.35Å; L69-I280 HydrophobicContact CD1-CG2 3.86Å; L69-I280 HydrophobicContact CD2-CB 4.31Å; L69-I280 HydrophobicContact CD2-CD1 3.4Å; L69-I280 VanDerWaalsContact CD2-CD1 3.4Å; L69-I280 HydrophobicContact CD2-CG1 4.37Å; L69-I280 HydrophobicContact CD2-CG2 3.83Å; L69-I280 HydrophobicContact CG-CD1 3.79Å; L69-I280 HydrophobicContact CG-CG2 4Å
70	T	56.7	Low	54.2	Low	40 Å²	40	81.8 Å²	81.8	25%	0.245	42%	0.416	C	S	.	.	H	α-helix	trans	-64.4	-37	179.8	47.4	0	0	0	0	112.4	A66 L67 T73 L85	A66-T70 WeakPolarHBondContact O-CB 3.42Å; A66-T70 WeakPolarHBondContact O-CG2 3.41Å; A66-T70 PolarHBondContact O-N 2.94Å; A66-T70 PolarHBondContact O-OG1 3.36Å; L67-T70 VanDerWaalsContact CA-OG1 3.27Å; L67-T70 WeakPolarHBondContact CA-OG1 3.23Å; L67-T70 PolarHBondContact O-N 3.35Å; L67-T70 PolarHBondContact O-OG1 3.23Å; T70-T73 PolarHBondContact O-N 3.09Å; T70-T73 PolarHBondContact O-OG1 3.26Å; T70-L85 HydrophobicContact CG2-CD1 4.25Å
71	V	57.4	Low	54.8	Low	93 Å²	93	82.7 Å²	82.7	56%	0.564	41%	0.405	S	S	*	.	H	α-helix	trans	-69.4	-39.5	175.2	171.9	0	0	0	0	111.7	L67 L68 L69 T73 W74	L67-V71 HydrophobicContact CG-CG2 4.49Å; L67-V71 VanDerWaalsContact O-CB 3.32Å; L67-V71 WeakPolarHBondContact O-CB 3.43Å; L67-V71 WeakPolarHBondContact O-CG2 3.29Å; L67-V71 PolarHBondContact O-N 3.23Å; L68-V71 PolarHBondContact O-N 2.9Å; L69-V71 VanDerWaalsContact C-N 3.35Å; L69-V71 PolarHBondContact O-N 3.48Å; V71-T73 PolarHBondContact O-N 3.41Å; V71-W74 PolarHBondContact O-N 2.96Å
72	S	56.1	Low	55.5	Low	23 Å²	23	84.5 Å²	84.5	16%	0.161	41%	0.407	C	S	.	.	H	α-helix	trans	-63.3	-29.9	175.8	75.7	0	0	0	0	112.3	L68 L69 W74	L68-S72 VanDerWaalsContact O-CB 3.31Å; L68-S72 WeakPolarHBondContact O-CB 3.42Å; L68-S72 PolarHBondContact O-N 2.94Å; L68-S72 PolarHBondContact O-OG 3.39Å; L69-S72 PolarHBondContact O-N 3.47Å; L69-S72 PolarHBondContact O-OG 3.41Å; S72-W74 VanDerWaalsContact C-N 3.32Å; S72-W74 PolarHBondContact O-N 3.03Å
73	T	54.1	Low	56.2	Low	13 Å²	13	86 Å²	86	8%	0.08	41%	0.411	C	S	.	.	H	α-helix	trans	-71.1	-23.6	178.9	73.9	0	0	0	0	113.9	L69 T70 V71 R75 C76 K81 Q84	L69-T73 WeakPolarHBondContact O-CG2 3.44Å; L69-T73 PolarHBondContact O-N 3.16Å; L69-T73 VanDerWaalsContact O-N 3.11Å; T70-T73 PolarHBondContact O-N 3.09Å; T70-T73 PolarHBondContact O-OG1 3.26Å; V71-T73 PolarHBondContact O-N 3.41Å; T73-R75 PolarHBondContact O-N 2.84Å; T73-R75 VanDerWaalsContact O-N 3.12Å; T73-C76 PolarHBondContact O-N 3.13Å; T73-C76 VanDerWaalsContact O-N 3.15Å; T73-K81 WeakPolarHBondContact O-CE 3.41Å; T73-Q84 HydrophobicContact CG2-CB 3.5Å; T73-Q84 HydrophobicContact CG2-CG 4.35Å
74	W	53.8	Low	57	Low	213 Å²	213	84.2 Å²	84.2	81%	0.807	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.2	-176.8	-97.9	76.4	0	0	0	112.5	V71 S72 K81	V71-W74 PolarHBondContact O-N 2.96Å; S72-W74 VanDerWaalsContact C-N 3.32Å; S72-W74 PolarHBondContact O-N 3.03Å; W74-K81 PolarHBondContact O-NZ 2.85Å
75	R	55	Low	58	Low	222 Å²	222	85.2 Å²	85.2	84%	0.838	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-2.7	-179.6	-112.3	167.6	175.3	152.1	-2.6	115.6	T73	T73-R75 PolarHBondContact O-N 2.84Å; T73-R75 VanDerWaalsContact O-N 3.12Å
76	C	54.3	Low	58.8	Low	20 Å²	20	88.1 Å²	88.1	14%	0.135	41%	0.413	C	S	.	.	S	Bend	trans	-99.3	151.9	-172.8	-150.6	0	0	0	0	112.8	T73 K81	T73-C76 PolarHBondContact O-N 3.13Å; T73-C76 VanDerWaalsContact O-N 3.15Å; C76-K81 WeakPolarHBondContact O-CE 3.04Å
77	P	54	Low	59.6	Low	91 Å²	91	88.9 Å²	88.9	59%	0.591	42%	0.415	S	S	*	.			trans	-56.8	144.5	179.2	-26	34.4	0	0	0	114.8	T79 R80	P77-T79 PolarHBondContact O-N 3.05Å; P77-R80 PolarHBondContact O-N 2.94Å
78	R	51.2	Low	60.4	Low	225 Å²	225	83.6 Å²	83.6	85%	0.849	39%	0.389	S	S	*	.	H	α-helix	trans	-47.8	-24.2	-165.6	-155.8	175	-176.2	152.6	0.1	117.6
79	T	52	Low	61.4	Low	78 Å²	78	83.6 Å²	83.6	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-92.1	-29	-177.5	34.8	0	0	0	0	113.8	P77 K81 R848	P77-T79 PolarHBondContact O-N 3.05Å; T79-K81 VanDerWaalsContact C-N 3.27Å; T79-R848 VanDerWaalsContact OG1-CZ 3.28Å; T79-R848 PolarHBondContact OG1-NH1 3.47Å; T79-R848 PolarHBondContact OG1-NH2 3.43Å
80	R	56.2	Low	62.4	Low	110 Å²	110	86.3 Å²	86.3	42%	0.415	41%	0.405	S	S	.	.	H	α-helix	trans	-70	-29.1	168.2	-78.2	-173.9	-178.7	-174.4	0.9	110.9	P77 M82 Q84 D274	P77-R80 PolarHBondContact O-N 2.94Å; R80-M82 PolarHBondContact O-N 3.46Å; R80-Q84 PolarHBondContact O-N 2.87Å; R80-D274 IonicContact NH1-OD1 3.01Å; R80-D274 PolarHBondContact NH1-OD1 3.22Å
81	K	58.6	Low	63.1	Low	73 Å²	73	85.7 Å²	85.7	32%	0.317	40%	0.4	S	S	.	.	H	α-helix	trans	-54.7	-44	179	-64.2	-164.6	178.7	-162	0	114	T73 W74 C76 T79 L85	T73-K81 WeakPolarHBondContact O-CE 3.41Å; W74-K81 PolarHBondContact O-NZ 2.85Å; C76-K81 WeakPolarHBondContact O-CE 3.04Å; T79-K81 VanDerWaalsContact C-N 3.27Å; K81-L85 VanDerWaalsContact O-CB 3.22Å; K81-L85 WeakPolarHBondContact O-CB 3.41Å; K81-L85 PolarHBondContact O-N 3.47Å
82	M	66.5	Low	64	Low	107 Å²	107	82.3 Å²	82.3	53%	0.527	38%	0.382	S	S	.	.	H	α-helix	trans	-66.9	-52.7	-174	-67.6	-66.3	-88.1	0	0	111.2	R80 Q84 L85 Y86	R80-M82 PolarHBondContact O-N 3.46Å; M82-Q84 VanDerWaalsContact C-N 3.35Å; M82-Q84 PolarHBondContact O-N 2.97Å; M82-L85 WeakPolarHBondContact O-CB 3.25Å; M82-L85 PolarHBondContact O-N 2.99Å; M82-L85 VanDerWaalsContact O-N 3.11Å; M82-Y86 HydrophobicContact CE-CE2 4.15Å; M82-Y86 VanDerWaalsContact O-CD2 3.26Å; M82-Y86 WeakPolarHBondContact O-CD2 3.44Å; M82-Y86 PolarHBondContact O-N 3.21Å
83	L	65.3	Low	65.1	Low	64 Å²	64	83.3 Å²	83.3	34%	0.335	39%	0.391	S	S	.	.	H	α-helix	trans	-59.4	-45.3	-176.8	-174.6	72.7	0	0	0	112.6	L85 Y86 L87 V760	L83-L85 VanDerWaalsContact C-N 3.3Å; L83-L85 PolarHBondContact O-N 3.07Å; L83-Y86 PolarHBondContact O-N 2.84Å; L83-L87 WeakPolarHBondContact O-CB 3.35Å; L83-L87 PolarHBondContact O-N 2.95Å; L83-V760 HydrophobicContact CD1-CG2 4.21Å
84	Q	66.7	Low	66.2	Low	27 Å²	27	83.8 Å²	83.8	13%	0.126	39%	0.394	C	S	.	.	H	α-helix	trans	-65.1	-34.9	178.5	-72.5	175.6	-19.1	0	0	112	T73 R80 M82 G88	T73-Q84 HydrophobicContact CG2-CB 3.5Å; T73-Q84 HydrophobicContact CG2-CG 4.35Å; R80-Q84 PolarHBondContact O-N 2.87Å; M82-Q84 VanDerWaalsContact C-N 3.35Å; M82-Q84 PolarHBondContact O-N 2.97Å; Q84-G88 PolarHBondContact O-N 2.89Å
85	L	73.5	Confident	67.1	Low	71 Å²	71	74.7 Å²	74.7	37%	0.372	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-46.8	172.9	179.8	67.4	0	0	0	111.6	T70 K81 M82 L83 L87 G88 I89	T70-L85 HydrophobicContact CG2-CD1 4.25Å; K81-L85 VanDerWaalsContact O-CB 3.22Å; K81-L85 WeakPolarHBondContact O-CB 3.41Å; K81-L85 PolarHBondContact O-N 3.47Å; M82-L85 WeakPolarHBondContact O-CB 3.25Å; M82-L85 PolarHBondContact O-N 2.99Å; M82-L85 VanDerWaalsContact O-N 3.11Å; L83-L85 VanDerWaalsContact C-N 3.3Å; L83-L85 PolarHBondContact O-N 3.07Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 2.83Å; L85-G88 PolarHBondContact O-N 3.19Å; L85-I89 HydrophobicContact CD1-CD1 4.22Å; L85-I89 HydrophobicContact CG-CD1 3.96Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.4Å; L85-I89 PolarHBondContact O-N 2.9Å
86	Y	75.6	Confident	68.1	Low	148 Å²	148	68 Å²	68	58%	0.58	34%	0.342	S	S	*	.	H	α-helix	trans	-59.6	-45.4	176.2	-87.8	-98	0	0	0	111.1	M82 L83 G88 I89 V90	M82-Y86 HydrophobicContact CE-CE2 4.15Å; M82-Y86 VanDerWaalsContact O-CD2 3.26Å; M82-Y86 WeakPolarHBondContact O-CD2 3.44Å; M82-Y86 PolarHBondContact O-N 3.21Å; L83-Y86 PolarHBondContact O-N 2.84Å; Y86-G88 PolarHBondContact O-N 3.43Å; Y86-I89 PolarHBondContact O-N 3.01Å; Y86-V90 VanDerWaalsContact O-CG2 3.31Å; Y86-V90 WeakPolarHBondContact O-CG2 3.47Å; Y86-V90 PolarHBondContact O-N 2.8Å
87	L	71.1	Confident	69.3	Low	26 Å²	26	71.6 Å²	71.6	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-59.6	-46.4	176.4	-178.8	65.2	0	0	0	111.6	L83 L85 I89 V90 L91 T759 L763	L83-L87 WeakPolarHBondContact O-CB 3.35Å; L83-L87 PolarHBondContact O-N 2.95Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 2.83Å; L87-I89 VanDerWaalsContact C-N 3.33Å; L87-I89 PolarHBondContact O-N 3.06Å; L87-V90 PolarHBondContact O-N 2.79Å; L87-L91 HydrophobicContact CD1-CD1 4.22Å; L87-L91 HydrophobicContact CD1-CG 4.29Å; L87-L91 HydrophobicContact CG-CD1 4.07Å; L87-L91 WeakPolarHBondContact O-CB 3.35Å; L87-L91 WeakPolarHBondContact O-CG 3.39Å; L87-L91 PolarHBondContact O-N 3.28Å; L87-T759 HydrophobicContact CD1-CG2 3.74Å; L87-T759 HydrophobicContact CD2-CG2 3.85Å; L87-T759 HydrophobicContact CG-CG2 4.46Å; L87-L763 HydrophobicContact CD1-CD1 3.64Å
88	G	72.6	Confident	70	Confident	4 Å²	4	69 Å²	69	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-39.7	176.5	0	0	0	0	0	113.1	Q84 L85 Y86 A92	Q84-G88 PolarHBondContact O-N 2.89Å; L85-G88 PolarHBondContact O-N 3.19Å; Y86-G88 PolarHBondContact O-N 3.43Å; G88-A92 VanDerWaalsContact O-CB 3.28Å; G88-A92 WeakPolarHBondContact O-CB 3.17Å; G88-A92 PolarHBondContact O-N 3.09Å
89	I	81.1	Confident	70.9	Confident	102 Å²	102	58.9 Å²	58.9	52%	0.523	31%	0.307	S	S	.	.	H	α-helix	trans	-66.6	-44.5	175.8	-68.5	166.4	0	0	0	111	L85 Y86 L87 A92 A93	L85-I89 HydrophobicContact CD1-CD1 4.22Å; L85-I89 HydrophobicContact CG-CD1 3.96Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.4Å; L85-I89 PolarHBondContact O-N 2.9Å; Y86-I89 PolarHBondContact O-N 3.01Å; L87-I89 VanDerWaalsContact C-N 3.33Å; L87-I89 PolarHBondContact O-N 3.06Å; I89-A92 PolarHBondContact O-N 3.01Å; I89-A93 WeakPolarHBondContact O-CB 3.15Å; I89-A93 PolarHBondContact O-N 2.88Å
90	V	78.2	Confident	72	Confident	63 Å²	63	58.7 Å²	58.7	38%	0.382	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-48.7	179.3	171	0	0	0	0	110.5	Y86 L87 A92 A93 V94 L763	Y86-V90 VanDerWaalsContact O-CG2 3.31Å; Y86-V90 WeakPolarHBondContact O-CG2 3.47Å; Y86-V90 PolarHBondContact O-N 2.8Å; L87-V90 PolarHBondContact O-N 2.79Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 2.91Å; V90-A93 WeakPolarHBondContact O-CB 3.32Å; V90-A93 PolarHBondContact O-N 3.22Å; V90-A93 VanDerWaalsContact O-N 3.12Å; V90-V94 HydrophobicContact CG1-CG2 4.43Å; V90-V94 VanDerWaalsContact O-CG2 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.44Å; V90-V94 PolarHBondContact O-N 2.9Å; V90-L763 HydrophobicContact CG1-CD1 3.98Å
91	L	72.6	Confident	72.6	Confident	26 Å²	26	59.8 Å²	59.8	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-42.3	176.5	-70.5	174.4	0	0	0	111.8	L69 L87 A93 V94 V95 V284 L763	L69-L91 HydrophobicContact CD1-CD1 4.35Å; L87-L91 HydrophobicContact CD1-CD1 4.22Å; L87-L91 HydrophobicContact CD1-CG 4.29Å; L87-L91 HydrophobicContact CG-CD1 4.07Å; L87-L91 WeakPolarHBondContact O-CB 3.35Å; L87-L91 WeakPolarHBondContact O-CG 3.39Å; L87-L91 PolarHBondContact O-N 3.28Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 3.19Å; L91-V94 PolarHBondContact O-N 3.49Å; L91-V95 VanDerWaalsContact O-CG2 3.23Å; L91-V95 WeakPolarHBondContact O-CG2 3.3Å; L91-V95 PolarHBondContact O-N 2.88Å; L91-V284 HydrophobicContact CD1-CG2 4.16Å; L91-L763 HydrophobicContact CD2-CD2 4.18Å
92	A	74.9	Confident	73	Confident	23 Å²	23	59.5 Å²	59.5	19%	0.19	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-41.3	174.6	0	0	0	0	0	112.2	G88 I89 V90 V95 I96	G88-A92 VanDerWaalsContact O-CB 3.28Å; G88-A92 WeakPolarHBondContact O-CB 3.17Å; G88-A92 PolarHBondContact O-N 3.09Å; I89-A92 PolarHBondContact O-N 3.01Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 2.91Å; A92-V95 PolarHBondContact O-N 3.28Å; A92-I96 WeakPolarHBondContact O-CD1 3.4Å; A92-I96 VanDerWaalsContact O-CG1 3.24Å; A92-I96 WeakPolarHBondContact O-CG1 3.36Å; A92-I96 PolarHBondContact O-N 2.83Å
93	A	80.6	Confident	73	Confident	43 Å²	43	58.4 Å²	58.4	36%	0.355	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-42.1	176.6	0	0	0	0	0	111.9	I89 V90 L91 V95 I96 I97	I89-A93 WeakPolarHBondContact O-CB 3.15Å; I89-A93 PolarHBondContact O-N 2.88Å; V90-A93 WeakPolarHBondContact O-CB 3.32Å; V90-A93 PolarHBondContact O-N 3.22Å; V90-A93 VanDerWaalsContact O-N 3.12Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-A93 PolarHBondContact O-N 3.19Å; A93-V95 PolarHBondContact O-N 3.48Å; A93-I96 PolarHBondContact O-N 3.22Å; A93-I97 WeakPolarHBondContact O-CB 3.45Å; A93-I97 VanDerWaalsContact O-CG1 3.23Å; A93-I97 WeakPolarHBondContact O-CG1 3.31Å; A93-I97 PolarHBondContact O-N 3.34Å
94	V	75.7	Confident	73.1	Confident	24 Å²	24	63.7 Å²	63.7	15%	0.145	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-45.9	176.4	172	0	0	0	0	110.8	V90 L91 I96 I97 T98 E289 L767	V90-V94 HydrophobicContact CG1-CG2 4.43Å; V90-V94 VanDerWaalsContact O-CG2 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.44Å; V90-V94 PolarHBondContact O-N 2.9Å; L91-V94 PolarHBondContact O-N 3.49Å; V94-I96 PolarHBondContact O-N 2.88Å; V94-I97 PolarHBondContact O-N 2.95Å; V94-T98 HydrophobicContact CG1-CG2 4.45Å; V94-T98 WeakPolarHBondContact O-CB 3.48Å; V94-T98 VanDerWaalsContact O-CG2 3.32Å; V94-T98 WeakPolarHBondContact O-CG2 3.26Å; V94-T98 PolarHBondContact O-N 2.78Å; V94-T98 PolarHBondContact O-OG1 2.88Å; V94-E289 HydrophobicContact CG1-CB 4.19Å; V94-L767 HydrophobicContact CG1-CD1 4.31Å; V94-L767 HydrophobicContact CG1-CD2 4.41Å; V94-L767 HydrophobicContact CG2-CD1 3.48Å; V94-L767 VanDerWaalsContact CG2-CD1 3.48Å
95	V	72.8	Confident	72.9	Confident	21 Å²	21	64 Å²	64	13%	0.127	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-41.4	177.3	173.9	0	0	0	0	111.8	S58 A62 L91 A92 A93 T98 G99	S58-V95 WeakPolarHBondContact O-CG1 3.37Å; A62-V95 HydrophobicContact CB-CB 4.48Å; A62-V95 HydrophobicContact CB-CG1 4.23Å; A62-V95 HydrophobicContact CB-CG2 3.44Å; A62-V95 VanDerWaalsContact CB-CG2 3.44Å; L91-V95 VanDerWaalsContact O-CG2 3.23Å; L91-V95 WeakPolarHBondContact O-CG2 3.3Å; L91-V95 PolarHBondContact O-N 2.88Å; A92-V95 PolarHBondContact O-N 3.28Å; A93-V95 PolarHBondContact O-N 3.48Å; V95-T98 WeakPolarHBondContact CA-OG1 3.31Å; V95-T98 PolarHBondContact O-OG1 3.2Å; V95-G99 PolarHBondContact O-N 3.38Å
96	I	77.4	Confident	72.2	Confident	83 Å²	83	64.1 Å²	64.1	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-66.3	-46.3	177.6	-69.6	164.9	0	0	0	110.7	F59 A92 A93 V94 G99 C100	F59-I96 HydrophobicContact CZ-CG1 4.43Å; A92-I96 WeakPolarHBondContact O-CD1 3.4Å; A92-I96 VanDerWaalsContact O-CG1 3.24Å; A92-I96 WeakPolarHBondContact O-CG1 3.36Å; A92-I96 PolarHBondContact O-N 2.83Å; A93-I96 PolarHBondContact O-N 3.22Å; V94-I96 PolarHBondContact O-N 2.88Å; I96-G99 PolarHBondContact O-N 3.03Å; I96-C100 WeakPolarHBondContact O-CB 3.37Å; I96-C100 PolarHBondContact O-N 3Å; I96-C100 PolarHBondContact O-SG 2.92Å
97	I	78.3	Confident	71.4	Confident	95 Å²	95	59.1 Å²	59.1	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-48.5	-179.1	-70.1	166.4	0	0	0	110	A93 V94 G99 C100 F101	A93-I97 WeakPolarHBondContact O-CB 3.45Å; A93-I97 VanDerWaalsContact O-CG1 3.23Å; A93-I97 WeakPolarHBondContact O-CG1 3.31Å; A93-I97 PolarHBondContact O-N 3.34Å; V94-I97 PolarHBondContact O-N 2.95Å; I97-G99 PolarHBondContact O-N 3.2Å; I97-C100 WeakPolarHBondContact O-CB 3.33Å; I97-C100 PolarHBondContact O-N 3.42Å; I97-F101 HydrophobicContact CG2-CD2 3.77Å; I97-F101 HydrophobicContact CG2-CE2 3.62Å; I97-F101 VanDerWaalsContact O-CD2 3.22Å; I97-F101 WeakPolarHBondContact O-CD2 3.32Å; I97-F101 PolarHBondContact O-N 3.07Å
98	T	69.9	Low	70.6	Confident	36 Å²	36	64.9 Å²	64.9	22%	0.221	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-43.9	177.2	49.9	0	0	0	0	111.7	V94 V95 C100 F101 Q102	V94-T98 HydrophobicContact CG1-CG2 4.45Å; V94-T98 WeakPolarHBondContact O-CB 3.48Å; V94-T98 VanDerWaalsContact O-CG2 3.32Å; V94-T98 WeakPolarHBondContact O-CG2 3.26Å; V94-T98 PolarHBondContact O-N 2.78Å; V94-T98 PolarHBondContact O-OG1 2.88Å; V95-T98 WeakPolarHBondContact CA-OG1 3.31Å; V95-T98 PolarHBondContact O-OG1 3.2Å; T98-C100 PolarHBondContact O-N 2.92Å; T98-F101 PolarHBondContact O-N 3.07Å; T98-Q102 PolarHBondContact O-N 3.39Å
99	G	69	Low	69.6	Low	12 Å²	12	65.4 Å²	65.4	12%	0.124	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-39	174.3	0	0	0	0	0	113.6	V95 I96 I97 Q102 Y103	V95-G99 PolarHBondContact O-N 3.38Å; I96-G99 PolarHBondContact O-N 3.03Å; I97-G99 PolarHBondContact O-N 3.2Å; G99-Q102 PolarHBondContact O-N 3.26Å; G99-Y103 WeakPolarHBondContact O-CB 3.42Å; G99-Y103 PolarHBondContact O-N 2.94Å
100	C	75.4	Confident	68.5	Low	75 Å²	75	65.1 Å²	65.1	51%	0.507	34%	0.336	S	S	.	.	H	α-helix	trans	-65.3	-40.6	174.7	-75.5	0	0	0	0	112.3	I96 I97 T98 Q102 Y103 Y104	I96-C100 WeakPolarHBondContact O-CB 3.37Å; I96-C100 PolarHBondContact O-N 3Å; I96-C100 PolarHBondContact O-SG 2.92Å; I97-C100 WeakPolarHBondContact O-CB 3.33Å; I97-C100 PolarHBondContact O-N 3.42Å; T98-C100 PolarHBondContact O-N 2.92Å; C100-Q102 VanDerWaalsContact C-N 3.34Å; C100-Y103 PolarHBondContact O-N 3.05Å; C100-Y104 WeakPolarHBondContact O-CB 3.49Å; C100-Y104 PolarHBondContact O-N 3.38Å
101	F	69.5	Low	67.6	Low	132 Å²	132	67.6 Å²	67.6	58%	0.579	34%	0.342	S	S	*	.	H	α-helix	trans	-61.3	-43.9	174.9	-87.5	-72.2	0	0	0	111.4	I97 T98 Q105	I97-F101 HydrophobicContact CG2-CD2 3.77Å; I97-F101 HydrophobicContact CG2-CE2 3.62Å; I97-F101 VanDerWaalsContact O-CD2 3.22Å; I97-F101 WeakPolarHBondContact O-CD2 3.32Å; I97-F101 PolarHBondContact O-N 3.07Å; T98-F101 PolarHBondContact O-N 3.07Å; F101-Q105 PolarHBondContact O-N 2.99Å
102	Q	66	Low	66.8	Low	67 Å²	67	67.3 Å²	67.3	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-65	-46.6	177.3	-173	172	-8.8	0	0	111.9	T98 G99 C100 Y104 Q105 E106	T98-Q102 PolarHBondContact O-N 3.39Å; G99-Q102 PolarHBondContact O-N 3.26Å; C100-Q102 VanDerWaalsContact C-N 3.34Å; Q102-Y104 PolarHBondContact O-N 2.82Å; Q102-Q105 WeakPolarHBondContact O-CB 3.45Å; Q102-Q105 PolarHBondContact O-N 3.15Å; Q102-Q105 VanDerWaalsContact O-N 3.15Å; Q102-E106 PolarHBondContact NE2-OE1 2.92Å; Q102-E106 PolarHBondContact O-N 3.08Å; Q102-E106 VanDerWaalsContact O-N 3.13Å
103	Y	67.3	Low	65.9	Low	84 Å²	84	67.3 Å²	67.3	33%	0.329	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-43.8	177	175.3	-100.2	0	0	0	112.5	I50 V53 V54 G99 C100 Q105 E106 A107	I50-Y103 HydrophobicContact CG2-CE2 4.19Å; V53-Y103 HydrophobicContact CG1-CD2 4.05Å; V54-Y103 HydrophobicContact CG2-CD2 3.68Å; V54-Y103 HydrophobicContact CG2-CE2 4.24Å; V54-Y103 HydrophobicContact CG2-CG 4.21Å; G99-Y103 WeakPolarHBondContact O-CB 3.42Å; G99-Y103 PolarHBondContact O-N 2.94Å; C100-Y103 PolarHBondContact O-N 3.05Å; Y103-Q105 PolarHBondContact O-N 2.81Å; Y103-E106 PolarHBondContact O-N 3.03Å; Y103-A107 HydrophobicContact CE1-CB 4.25Å; Y103-A107 WeakPolarHBondContact O-CB 3.05Å; Y103-A107 PolarHBondContact O-N 2.88Å
104	Y	67	Low	65.1	Low	176 Å²	176	70 Å²	70	69%	0.69	34%	0.342	S	S	*	.	H	α-helix	trans	-62.4	-33.3	178.9	-176.6	-97.8	0	0	0	112.2	C100 Q102	C100-Y104 WeakPolarHBondContact O-CB 3.49Å; C100-Y104 PolarHBondContact O-N 3.38Å; Q102-Y104 PolarHBondContact O-N 2.82Å
105	Q	62.3	Low	64.5	Low	34 Å²	34	69.2 Å²	69.2	16%	0.159	34%	0.337	C	S	.	.	H	α-helix	trans	-69.1	-41.1	176.1	-180	179.3	-25.9	0	0	112.1	F101 Q102 Y103 L316	F101-Q105 PolarHBondContact O-N 2.99Å; Q102-Q105 WeakPolarHBondContact O-CB 3.45Å; Q102-Q105 PolarHBondContact O-N 3.15Å; Q102-Q105 VanDerWaalsContact O-N 3.15Å; Y103-Q105 PolarHBondContact O-N 2.81Å; Q105-L316 HydrophobicContact CG-CD1 4.08Å; Q105-L316 HydrophobicContact CG-CG 4.33Å
106	E	60	Low	63.9	Low	72 Å²	72	68.5 Å²	68.5	34%	0.336	33%	0.333	S	S	.	.	H	α-helix	trans	-75.6	-43.4	-178.9	-70.6	179.6	-155.1	0	0	112.7	V53 Q102 Y103 K108 S109	V53-E106 WeakPolarHBondContact CG1-OE2 3.45Å; Q102-E106 PolarHBondContact NE2-OE1 2.92Å; Q102-E106 PolarHBondContact O-N 3.08Å; Q102-E106 VanDerWaalsContact O-N 3.13Å; Y103-E106 PolarHBondContact O-N 3.03Å; E106-K108 PolarHBondContact O-N 3.05Å; E106-S109 WeakPolarHBondContact O-CB 3.46Å; E106-S109 PolarHBondContact O-N 2.86Å
107	A	58.7	Low	63.3	Low	43 Å²	43	70.4 Å²	70.4	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-60.9	-19.9	-175.2	0	0	0	0	0	114.4	Y103 S109	Y103-A107 HydrophobicContact CE1-CB 4.25Å; Y103-A107 WeakPolarHBondContact O-CB 3.05Å; Y103-A107 PolarHBondContact O-N 2.88Å; A107-S109 PolarHBondContact O-N 3.43Å
108	K	53.5	Low	62.8	Low	147 Å²	147	72.9 Å²	72.9	64%	0.639	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.3	178.4	-165.8	174.5	176.4	-174.3	0	113.1	E106	E106-K108 PolarHBondContact O-N 3.05Å
109	S	50.6	Low	62.4	Low	15 Å²	15	72.4 Å²	72.4	11%	0.105	34%	0.343	C	S	.	.	S	Bend	trans	-81.4	-30.3	-173.9	-178.7	0	0	0	0	115.5	E106 A107 K111 H315	E106-S109 WeakPolarHBondContact O-CB 3.46Å; E106-S109 PolarHBondContact O-N 2.86Å; A107-S109 PolarHBondContact O-N 3.43Å; S109-K111 VanDerWaalsContact C-N 3.28Å; S109-K111 PolarHBondContact O-N 3.35Å; S109-H315 WeakPolarHBondContact CB-CE1 3.34Å; S109-H315 WeakPolarHBondContact CB-NE2 3.38Å; S109-H315 PolarHBondContact OG-CE1 2.98Å; S109-H315 PolarHBondContact OG-NE2 3.21Å
110	E	58.5	Low	62.2	Low	96 Å²	96	73.4 Å²	73.4	45%	0.449	35%	0.346	S	S	.	.			trans	-82.1	14	-152.8	-66.4	-178.1	151.3	0	0	116.5	P48 I112	P48-E110 WeakPolarHBondContact CG-OE1 3.39Å; E110-I112 VanDerWaalsContact C-N 3.32Å; E110-I112 PolarHBondContact O-N 2.92Å
111	K	60.4	Low	61.6	Low	115 Å²	115	70.9 Å²	70.9	50%	0.5	33%	0.329	S	S	.	.			trans	-87.1	22.5	-172.4	-70.9	-172.4	160.6	-131.7	0	116.5	S109 M113 E114	S109-K111 VanDerWaalsContact C-N 3.28Å; S109-K111 PolarHBondContact O-N 3.35Å; K111-M113 PolarHBondContact O-N 3.39Å; K111-E114 WeakPolarHBondContact CD-OE2 3.29Å; K111-E114 IonicContact NZ-OE1 2.63Å; K111-E114 IonicContact NZ-OE2 3.53Å; K111-E114 PolarHBondContact NZ-OE2 3.27Å; K111-E114 PolarHBondContact O-N 3.39Å
112	I	54.8	Low	61.9	Low	20 Å²	20	69 Å²	69	10%	0.103	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-41.9	-172.6	-57.6	-178.3	0	0	0	112.5	E110 E114 S115 F116 K681 Q699	E110-I112 VanDerWaalsContact C-N 3.32Å; E110-I112 PolarHBondContact O-N 2.92Å; I112-E114 VanDerWaalsContact C-N 3.32Å; I112-E114 PolarHBondContact O-N 2.95Å; I112-S115 PolarHBondContact O-N 3.32Å; I112-S115 PolarHBondContact O-OG 3.39Å; I112-F116 HydrophobicContact CG2-CD2 4.48Å; I112-F116 HydrophobicContact CG2-CE2 4.06Å; I112-K681 HydrophobicContact CD1-CD 4.15Å; I112-Q699 HydrophobicContact CB-CB 4.35Å; I112-Q699 HydrophobicContact CG1-CB 4.26Å; I112-Q699 WeakPolarHBondContact CG1-O 3.38Å; I112-Q699 HydrophobicContact CG2-CB 4.24Å
113	M	56.5	Low	62.8	Low	23 Å²	23	71.7 Å²	71.7	11%	0.113	34%	0.343	C	S	.	.	H	α-helix	trans	-70.4	-24.5	-175.5	-165.9	57.6	63.7	0	0	113.8	V42 Y43 P44 K111 S115 F116 K117	V42-M113 HydrophobicContact CG1-CE 4.41Å; V42-M113 HydrophobicContact CG1-SD 3.95Å; Y43-M113 WeakPolarHBondContact O-CE 3.4Å; P44-M113 HydrophobicContact CB-CB 4.36Å; P44-M113 HydrophobicContact CB-CG 3.88Å; K111-M113 PolarHBondContact O-N 3.39Å; M113-S115 PolarHBondContact O-N 3.39Å; M113-F116 PolarHBondContact O-N 2.97Å; M113-F116 HydrophobicContact SD-CB 4.11Å; M113-F116 HydrophobicContact SD-CD2 4.48Å; M113-K117 PolarHBondContact O-N 3.04Å
114	E	64.2	Low	63.7	Low	100 Å²	100	68 Å²	68	47%	0.467	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-37.2	176.5	-71.6	-175	163.7	0	0	110.6	K111 I112 K117 H118	K111-E114 WeakPolarHBondContact CD-OE2 3.29Å; K111-E114 IonicContact NZ-OE1 2.63Å; K111-E114 IonicContact NZ-OE2 3.53Å; K111-E114 PolarHBondContact NZ-OE2 3.27Å; K111-E114 PolarHBondContact O-N 3.39Å; I112-E114 VanDerWaalsContact C-N 3.32Å; I112-E114 PolarHBondContact O-N 2.95Å; E114-K117 PolarHBondContact O-N 2.78Å; E114-H118 PolarHBondContact O-CD2 2.9Å; E114-H118 PolarHBondContact O-N 2.86Å
115	S	62.5	Low	64.8	Low	8 Å²	8	62.6 Å²	62.6	6%	0.056	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-38	179.4	67.8	0	0	0	0	114	I112 M113 K117 H118	I112-S115 PolarHBondContact O-N 3.32Å; I112-S115 PolarHBondContact O-OG 3.39Å; M113-S115 PolarHBondContact O-N 3.39Å; S115-K117 VanDerWaalsContact C-N 3.35Å; S115-K117 PolarHBondContact O-N 3.47Å; S115-H118 PolarHBondContact O-N 2.9Å
116	F	60.9	Low	66.1	Low	6 Å²	6	61 Å²	61	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-67.3	-36.8	178.2	-76.6	-86.8	0	0	0	112.3	I112 M113 H118 M119 M222 A226 V674 V696	I112-F116 HydrophobicContact CG2-CD2 4.48Å; I112-F116 HydrophobicContact CG2-CE2 4.06Å; M113-F116 PolarHBondContact O-N 2.97Å; M113-F116 HydrophobicContact SD-CB 4.11Å; M113-F116 HydrophobicContact SD-CD2 4.48Å; F116-H118 VanDerWaalsContact C-N 3.27Å; F116-H118 PolarHBondContact O-N 2.93Å; F116-M119 HydrophobicContact CB-CE 4.28Å; F116-M119 HydrophobicContact CD1-CE 3.33Å; F116-M119 HydrophobicContact CE1-CE 3.96Å; F116-M119 HydrophobicContact CG-CE 3.99Å; F116-M119 PolarHBondContact O-N 3.44Å; F116-M119 VanDerWaalsContact O-N 3.1Å; F116-M222 HydrophobicContact CD1-CE 3.88Å; F116-M222 HydrophobicContact CE1-CE 3.43Å; F116-M222 VanDerWaalsContact CE1-CE 3.43Å; F116-A226 HydrophobicContact CD1-CB 3.52Å; F116-A226 HydrophobicContact CE1-CB 3.32Å; F116-A226 HydrophobicContact CE2-CB 4.38Å; F116-A226 HydrophobicContact CG-CB 4.13Å; F116-A226 HydrophobicContact CZ-CB 3.78Å; F116-V674 HydrophobicContact CE1-CG1 4.45Å; F116-V696 HydrophobicContact CD1-CG1 4.46Å; F116-V696 HydrophobicContact CD1-CG2 4.04Å; F116-V696 HydrophobicContact CD2-CG1 4.3Å; F116-V696 HydrophobicContact CD2-CG2 4.44Å; F116-V696 HydrophobicContact CE1-CB 4.48Å; F116-V696 HydrophobicContact CE1-CG1 3.66Å; F116-V696 HydrophobicContact CE1-CG2 3.94Å; F116-V696 HydrophobicContact CE2-CG1 3.47Å; F116-V696 VanDerWaalsContact CE2-CG1 3.47Å; F116-V696 HydrophobicContact CE2-CG2 4.36Å; F116-V696 HydrophobicContact CG-CG2 4.31Å; F116-V696 HydrophobicContact CZ-CB 4.26Å; F116-V696 HydrophobicContact CZ-CG1 3.1Å; F116-V696 HydrophobicContact CZ-CG2 4.13Å
117	K	64.4	Low	67.4	Low	123 Å²	123	61.1 Å²	61.1	54%	0.535	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-36.5	176.1	-72.3	-178	176.6	-179.3	0	112.3	M113 E114 S115 M119 V120	M113-K117 PolarHBondContact O-N 3.04Å; E114-K117 PolarHBondContact O-N 2.78Å; S115-K117 VanDerWaalsContact C-N 3.35Å; S115-K117 PolarHBondContact O-N 3.47Å; K117-M119 PolarHBondContact O-N 3.47Å; K117-V120 PolarHBondContact O-N 3.14Å
118	H	66.6	Low	68.5	Low	146 Å²	146	60.5 Å²	60.5	68%	0.676	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.6	177.4	-67.6	-55.8	0	0	0	114.3	E114 S115 F116	E114-H118 PolarHBondContact O-CD2 2.9Å; E114-H118 PolarHBondContact O-N 2.86Å; S115-H118 PolarHBondContact O-N 2.9Å; F116-H118 VanDerWaalsContact C-N 3.27Å; F116-H118 PolarHBondContact O-N 2.93Å
119	M	61.8	Low	69.5	Low	27 Å²	27	56.8 Å²	56.8	13%	0.133	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-22.8	176.8	-68.6	-168.3	-67.1	0	0	113.8	F116 K117 R153 M222 V674 V696	F116-M119 HydrophobicContact CB-CE 4.28Å; F116-M119 HydrophobicContact CD1-CE 3.33Å; F116-M119 HydrophobicContact CE1-CE 3.96Å; F116-M119 HydrophobicContact CG-CE 3.99Å; F116-M119 PolarHBondContact O-N 3.44Å; F116-M119 VanDerWaalsContact O-N 3.1Å; K117-M119 PolarHBondContact O-N 3.47Å; M119-R153 PolarHBondContact O-NH1 3.33Å; M119-M222 HydrophobicContact CE-CE 3.82Å; M119-V674 HydrophobicContact SD-CG2 4.45Å; M119-V696 HydrophobicContact CE-CG2 3.14Å; M119-V696 HydrophobicContact SD-CG2 3.64Å
120	V	64.4	Low	70.7	Confident	33 Å²	33	58.1 Å²	58.1	20%	0.2	29%	0.292	C	S	.	.	S	Bend	trans	-69.4	124.3	179	-172.5	0	0	0	0	108.6	K117 T137 F200	K117-V120 PolarHBondContact O-N 3.14Å; V120-T137 HydrophobicContact CG1-CG2 3.64Å; V120-F200 HydrophobicContact CB-CZ 4.33Å; V120-F200 HydrophobicContact CG1-CE2 4.31Å; V120-F200 HydrophobicContact CG1-CZ 4.45Å; V120-F200 HydrophobicContact CG2-CE2 4.33Å; V120-F200 HydrophobicContact CG2-CZ 3.7Å
121	P	64.3	Low	71.8	Confident	21 Å²	21	59.8 Å²	59.8	14%	0.136	30%	0.297	C	S	.	.			trans	-60.3	142.6	172.3	23	-29.7	0	0	0	110	F123 T137 R153 P155	P121-F123 VanDerWaalsContact C-N 3.31Å; P121-F123 PolarHBondContact O-N 3.34Å; P121-T137 HydrophobicContact CG-CG2 4.35Å; P121-T137 WeakPolarHBondContact O-CB 3.47Å; P121-T137 PolarHBondContact O-OG1 3.36Å; P121-R153 HydrophobicContact CB-CB 4.16Å; P121-R153 HydrophobicContact CG-CB 4.17Å; P121-P155 HydrophobicContact CG-CB 3.76Å
122	S	74.4	Confident	73	Confident	94 Å²	94	57.8 Å²	57.8	66%	0.657	29%	0.292	S	S	*	.	S	Bend	trans	-69.1	-31.5	-179	-50.4	0	0	0	0	112.7	P136 T137	S122-P136 WeakPolarHBondContact O-CA 3.34Å; S122-T137 PolarHBondContact O-N 3.4Å
123	F	85.4	Confident	74.5	Confident	122 Å²	122	61.9 Å²	61.9	54%	0.535	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.4	-176.4	-62.3	-83.5	0	0	0	111.9	P121 E134 V135 P136	P121-F123 VanDerWaalsContact C-N 3.31Å; P121-F123 PolarHBondContact O-N 3.34Å; F123-E134 HydrophobicContact CB-CG 3.85Å; F123-E134 HydrophobicContact CD1-CG 4.38Å; F123-E134 HydrophobicContact CG-CG 4.35Å; F123-V135 CarbonylContact C-O 3.58Å; F123-V135 WeakPolarHBondContact CA-O 3.49Å; F123-P136 HydrophobicContact CE1-CG 4.23Å
124	A	87.3	Confident	76	Confident	7 Å²	7	67.2 Å²	67.2	6%	0.058	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.5	177	0	0	0	0	0	111.2	E134 V135 L140 P155	A124-E134 WeakPolarHBondContact O-CA 3.29Å; A124-V135 PolarHBondContact N-O 3.25Å; A124-V135 PolarHBondContact O-N 3.42Å; A124-L140 HydrophobicContact CB-CD1 3.7Å; A124-L140 HydrophobicContact CB-CD2 4.17Å; A124-L140 HydrophobicContact CB-CG 4.2Å; A124-P155 HydrophobicContact CB-CB 3.86Å; A124-P155 HydrophobicContact CB-CG 3.83Å
125	K	90.3	Very high	77	Confident	62 Å²	62	63 Å²	63	27%	0.27	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.4	176.8	-67.9	171	-170.7	145.8	0	109.9	L132 Y133 I146 E147 D152	K125-L132 HydrophobicContact CB-CD1 3.97Å; K125-L132 HydrophobicContact CB-CG 4.46Å; K125-Y133 CarbonylContact C-O 3.12Å; K125-Y133 WeakPolarHBondContact CA-O 3.36Å; K125-I146 VanDerWaalsContact O-CA 3.3Å; K125-I146 WeakPolarHBondContact O-CA 3.33Å; K125-E147 PolarHBondContact O-N 3.41Å; K125-D152 IonicContact NZ-OD2 3.51Å
126	V	89.4	Confident	78.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.2	-175.1	69.6	0	0	0	0	111.5	R128 Y133 V135 L140 D144 I145 I146	V126-R128 HydrophobicContact CG1-CG 4.1Å; V126-R128 HydrophobicContact CG2-CG 4.09Å; V126-Y133 PolarHBondContact N-O 3.49Å; V126-Y133 PolarHBondContact O-N 3.1Å; V126-V135 HydrophobicContact CB-CG2 4.22Å; V126-V135 HydrophobicContact CG1-CB 4.32Å; V126-V135 HydrophobicContact CG1-CG1 3.77Å; V126-V135 HydrophobicContact CG1-CG2 3.55Å; V126-L140 HydrophobicContact CB-CD2 4.24Å; V126-L140 HydrophobicContact CG2-CD2 4.3Å; V126-D144 HydrophobicContact CG2-CB 3.77Å; V126-I145 CarbonylContact C-O 3.58Å; V126-I145 WeakPolarHBondContact CA-O 3.45Å; V126-I145 WeakPolarHBondContact CG2-O 3.28Å; V126-I146 HydrophobicContact CB-CG2 4.48Å; V126-I146 HydrophobicContact CG2-CG2 4.36Å
127	W	86.5	Confident	79.3	Confident	75 Å²	75	64.7 Å²	64.7	28%	0.284	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.2	171.5	-73.3	84.7	0	0	0	109.4	G130 K131 L132 I145 E147	W127-G130 WeakPolarHBondContact CZ3-O 3.32Å; W127-K131 WeakPolarHBondContact CA-O 3.33Å; W127-L132 HydrophobicContact CD2-CD1 4.3Å; W127-L132 HydrophobicContact CG-CD1 4.22Å; W127-L132 HydrophobicContact CZ2-CB 4.42Å; W127-L132 HydrophobicContact CZ2-CD1 4.47Å; W127-I145 HydrophobicContact CB-CB 4.19Å; W127-I145 HydrophobicContact CB-CG2 4.31Å; W127-I145 PolarHBondContact N-O 3.26Å; W127-E147 PolarHBondContact NE1-OE2 3.22Å; W127-E147 VanDerWaalsContact NE1-OE2 3.08Å
128	R	82	Confident	80.2	Confident	30 Å²	30	64.6 Å²	64.6	11%	0.113	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138	174.1	-68	178.7	176.5	169.2	1	108.6	V126 G130 K131 Y133 E139 D144	V126-R128 HydrophobicContact CG1-CG 4.1Å; V126-R128 HydrophobicContact CG2-CG 4.09Å; R128-G130 PolarHBondContact O-N 3.44Å; R128-G130 VanDerWaalsContact O-N 3.11Å; R128-K131 PolarHBondContact N-O 3.39Å; R128-K131 PolarHBondContact O-N 3.5Å; R128-Y133 HydrophobicContact CB-CD2 4.07Å; R128-Y133 HydrophobicContact CB-CE2 4.38Å; R128-Y133 WeakPolarHBondContact O-CE2 3.49Å; R128-E139 PolarHBondContact NH2-O 2.65Å; R128-D144 IonicContact CZ-OD2 2.8Å; R128-D144 IonicContact NE-OD1 3.04Å; R128-D144 PolarHBondContact NE-OD1 3.42Å; R128-D144 IonicContact NE-OD2 3.75Å; R128-D144 IonicContact NH2-OD1 3.46Å; R128-D144 IonicContact NH2-OD2 3.78Å; R128-D144 PolarHBondContact NH2-OD2 3.14Å
129	D	74.7	Confident	81	Confident	69 Å²	69	62.6 Å²	62.6	37%	0.369	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	37.5	-177.9	-59.3	-38.3	0	0	0	114.4	N26 S29 K131	N26-D129 VanDerWaalsContact OD1-C 3.31Å; N26-D129 WeakPolarHBondContact OD1-CA 3.35Å; S29-D129 VanDerWaalsContact CB-OD2 3.26Å; S29-D129 WeakPolarHBondContact CB-OD2 3.4Å; S29-D129 VanDerWaalsContact OG-CG 3.31Å; S29-D129 PolarHBondContact OG-OD1 3.14Å; S29-D129 PolarHBondContact OG-OD2 3.03Å; D129-K131 PolarHBondContact O-N 2.79Å
130	G	75.4	Confident	82.2	Confident	43 Å²	43	61.3 Å²	61.3	44%	0.443	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	6.9	-178.1	0	0	0	0	0	115.9	N26 W127 R128	N26-G130 PolarHBondContact OD1-N 3.18Å; W127-G130 WeakPolarHBondContact CZ3-O 3.32Å; R128-G130 PolarHBondContact O-N 3.44Å; R128-G130 VanDerWaalsContact O-N 3.11Å
131	K	81	Confident	83.2	Confident	131 Å²	131	60.3 Å²	60.3	57%	0.57	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.9	178.4	-68	177.2	-177.7	175.3	0	111.1	W127 R128 D129 Y133	W127-K131 WeakPolarHBondContact CA-O 3.33Å; R128-K131 PolarHBondContact N-O 3.39Å; R128-K131 PolarHBondContact O-N 3.5Å; D129-K131 PolarHBondContact O-N 2.79Å; K131-Y133 HydrophobicContact CB-CD2 4.23Å; K131-Y133 HydrophobicContact CB-CE2 3.6Å; K131-Y133 WeakPolarHBondContact O-CD2 3.26Å
132	L	85.5	Confident	84.2	Confident	74 Å²	74	61.3 Å²	61.3	39%	0.387	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.5	174.8	-169.7	63.9	0	0	0	109.5	K125 W127 E147	K125-L132 HydrophobicContact CB-CD1 3.97Å; K125-L132 HydrophobicContact CB-CG 4.46Å; W127-L132 HydrophobicContact CD2-CD1 4.3Å; W127-L132 HydrophobicContact CG-CD1 4.22Å; W127-L132 HydrophobicContact CZ2-CB 4.42Å; W127-L132 HydrophobicContact CZ2-CD1 4.47Å; L132-E147 HydrophobicContact CD1-CB 4.39Å
133	Y	86.1	Confident	84.7	Confident	106 Å²	106	57 Å²	57	42%	0.416	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.2	174.5	-67.6	-84.5	0	0	0	110	K125 V126 R128 K131	K125-Y133 CarbonylContact C-O 3.12Å; K125-Y133 WeakPolarHBondContact CA-O 3.36Å; V126-Y133 PolarHBondContact N-O 3.49Å; V126-Y133 PolarHBondContact O-N 3.1Å; R128-Y133 HydrophobicContact CB-CD2 4.07Å; R128-Y133 HydrophobicContact CB-CE2 4.38Å; R128-Y133 WeakPolarHBondContact O-CE2 3.49Å; K131-Y133 HydrophobicContact CB-CD2 4.23Å; K131-Y133 HydrophobicContact CB-CE2 3.6Å; K131-Y133 WeakPolarHBondContact O-CD2 3.26Å
134	E	88.1	Confident	84.7	Confident	134 Å²	134	51.1 Å²	51.1	63%	0.626	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	114	167.4	-173.2	165.8	-154.4	0	0	107.6	F123 A124	F123-E134 HydrophobicContact CB-CG 3.85Å; F123-E134 HydrophobicContact CD1-CG 4.38Å; F123-E134 HydrophobicContact CG-CG 4.35Å; A124-E134 WeakPolarHBondContact O-CA 3.29Å
135	V	86.8	Confident	84.8	Confident	13 Å²	13	51.2 Å²	51.2	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.9	-175.9	-62.8	0	0	0	0	110.1	F123 A124 V126 T137 L140	F123-V135 CarbonylContact C-O 3.58Å; F123-V135 WeakPolarHBondContact CA-O 3.49Å; A124-V135 PolarHBondContact N-O 3.25Å; A124-V135 PolarHBondContact O-N 3.42Å; V126-V135 HydrophobicContact CB-CG2 4.22Å; V126-V135 HydrophobicContact CG1-CB 4.32Å; V126-V135 HydrophobicContact CG1-CG1 3.77Å; V126-V135 HydrophobicContact CG1-CG2 3.55Å; V135-T137 PolarHBondContact O-N 2.97Å; V135-L140 HydrophobicContact CG2-CD2 3.97Å
136	P	86.4	Confident	84.9	Confident	46 Å²	46	48.3 Å²	48.3	30%	0.299	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	136.7	167.6	-22.8	33.2	0	0	0	110.4	S122 F123 E138 E139	S122-P136 WeakPolarHBondContact O-CA 3.34Å; F123-P136 HydrophobicContact CE1-CG 4.23Å; P136-E138 PolarHBondContact O-N 2.93Å; P136-E138 VanDerWaalsContact O-N 3.11Å; P136-E139 HydrophobicContact CB-CG 4.34Å; P136-E139 HydrophobicContact CG-CG 4.47Å; P136-E139 WeakPolarHBondContact O-CB 3.41Å; P136-E139 PolarHBondContact O-N 3.44Å
137	T	84.3	Confident	85	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-58.6	-29.3	-176.4	-63	0	0	0	0	112.9	N40 V120 P121 S122 V135 E139 L140 P155	N40-T137 WeakPolarHBondContact CB-O 3.37Å; N40-T137 WeakPolarHBondContact ND2-CG2 3.35Å; N40-T137 PolarHBondContact ND2-O 3Å; V120-T137 HydrophobicContact CG1-CG2 3.64Å; P121-T137 HydrophobicContact CG-CG2 4.35Å; P121-T137 WeakPolarHBondContact O-CB 3.47Å; P121-T137 PolarHBondContact O-OG1 3.36Å; S122-T137 PolarHBondContact O-N 3.4Å; V135-T137 PolarHBondContact O-N 2.97Å; T137-E139 PolarHBondContact O-N 3.04Å; T137-L140 HydrophobicContact CG2-CD1 4.22Å; T137-L140 WeakPolarHBondContact O-CB 3.31Å; T137-L140 WeakPolarHBondContact O-CG 3.31Å; T137-L140 PolarHBondContact O-N 3.34Å; T137-P155 HydrophobicContact CG2-CB 3.84Å
138	E	83.2	Confident	85.2	Confident	122 Å²	122	46.3 Å²	46.3	57%	0.57	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-60.5	-26.4	176.2	-69	-178.7	-172	0	0	113.5	V39 N40 P136	V39-E138 HydrophobicContact CG1-CB 3.76Å; V39-E138 HydrophobicContact CG1-CG 4.06Å; N40-E138 PolarHBondContact N-O 2.8Å; N40-E138 VanDerWaalsContact N-O 3.1Å; P136-E138 PolarHBondContact O-N 2.93Å; P136-E138 VanDerWaalsContact O-N 3.11Å
139	E	84.6	Confident	85.6	Confident	103 Å²	103	48.9 Å²	48.9	48%	0.481	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-88.3	0.6	179.8	-62.4	-176.8	-167.5	0	0	113.8	R128 P136 T137	R128-E139 PolarHBondContact NH2-O 2.65Å; P136-E139 HydrophobicContact CB-CG 4.34Å; P136-E139 HydrophobicContact CG-CG 4.47Å; P136-E139 WeakPolarHBondContact O-CB 3.41Å; P136-E139 PolarHBondContact O-N 3.44Å; T137-E139 PolarHBondContact O-N 3.04Å
140	L	85.7	Confident	86.2	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.249	C	C	.	.			trans	-72.6	136.2	175.1	-69.4	179.2	0	0	0	110.9	N40 A124 V126 V135 T137 I146 P155	N40-L140 HydrophobicContact CB-CB 4.37Å; N40-L140 WeakPolarHBondContact CB-O 3.42Å; A124-L140 HydrophobicContact CB-CD1 3.7Å; A124-L140 HydrophobicContact CB-CD2 4.17Å; A124-L140 HydrophobicContact CB-CG 4.2Å; V126-L140 HydrophobicContact CB-CD2 4.24Å; V126-L140 HydrophobicContact CG2-CD2 4.3Å; V135-L140 HydrophobicContact CG2-CD2 3.97Å; T137-L140 HydrophobicContact CG2-CD1 4.22Å; T137-L140 WeakPolarHBondContact O-CB 3.31Å; T137-L140 WeakPolarHBondContact O-CG 3.31Å; T137-L140 PolarHBondContact O-N 3.34Å; L140-I146 HydrophobicContact CD2-CG2 4.08Å; L140-P155 HydrophobicContact CD1-CB 3.66Å; L140-P155 HydrophobicContact CD1-CG 3.77Å
141	V	85.3	Confident	86.5	Confident	11 Å²	11	48.7 Å²	48.7	7%	0.067	26%	0.261	C	S	.	.			trans	-120.8	161.3	175.4	-60.1	0	0	0	0	111.5	L32 V35 G143 D144	L32-V141 HydrophobicContact CD2-CB 4.44Å; L32-V141 HydrophobicContact CD2-CG1 4.23Å; L32-V141 HydrophobicContact CD2-CG2 3.36Å; V35-V141 HydrophobicContact CG1-CB 4.22Å; V35-V141 HydrophobicContact CG1-CG1 4.34Å; V141-G143 PolarHBondContact O-N 3.22Å; V141-D144 PolarHBondContact N-OD2 3.14Å; V141-D144 VanDerWaalsContact N-OD2 3.07Å; V141-D144 WeakPolarHBondContact O-CB 3.34Å; V141-D144 PolarHBondContact O-N 2.98Å
142	T	85.8	Confident	86.8	Confident	42 Å²	42	45 Å²	45	26%	0.258	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	131.1	170.8	49.2	0	0	0	0	110.4	T216	T142-T216 HydrophobicContact CG2-CG2 4.19Å
143	G	84.3	Confident	86.9	Confident	3 Å²	3	46.8 Å²	46.8	3%	0.031	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	-12.8	-176	0	0	0	0	0	115.1	T22 V141 V213	T22-G143 WeakPolarHBondContact CB-O 3.29Å; T22-G143 PolarHBondContact OG1-O 3.42Å; V141-G143 PolarHBondContact O-N 3.22Å; G143-V213 PolarHBondContact N-O 3.08Å
144	D	86.8	Confident	87.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.			trans	-62.7	144.7	172.2	-85.4	-25.2	0	0	0	111	V126 R128 V141 V212 V213	V126-D144 HydrophobicContact CG2-CB 3.77Å; R128-D144 IonicContact CZ-OD2 2.8Å; R128-D144 IonicContact NE-OD1 3.04Å; R128-D144 PolarHBondContact NE-OD1 3.42Å; R128-D144 IonicContact NE-OD2 3.75Å; R128-D144 IonicContact NH2-OD1 3.46Å; R128-D144 IonicContact NH2-OD2 3.78Å; R128-D144 PolarHBondContact NH2-OD2 3.14Å; V141-D144 PolarHBondContact N-OD2 3.14Å; V141-D144 VanDerWaalsContact N-OD2 3.07Å; V141-D144 WeakPolarHBondContact O-CB 3.34Å; V141-D144 PolarHBondContact O-N 2.98Å; D144-V212 CarbonylContact O-C 3.56Å; D144-V212 WeakPolarHBondContact O-CA 3.06Å; D144-V213 HydrophobicContact CB-CG2 4.14Å; D144-V213 WeakPolarHBondContact O-CG2 3.26Å; D144-V213 PolarHBondContact O-N 3.02Å
145	I	89.4	Confident	87.2	Confident	8 Å²	8	35.6 Å²	35.6	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.4	174.5	-61	175	0	0	0	108.4	F17 N23 V126 W127 I161 G211 V212	F17-I145 HydrophobicContact CE1-CD1 4.49Å; N23-I145 WeakPolarHBondContact O-CD1 3.37Å; V126-I145 CarbonylContact C-O 3.58Å; V126-I145 WeakPolarHBondContact CA-O 3.45Å; V126-I145 WeakPolarHBondContact CG2-O 3.28Å; W127-I145 HydrophobicContact CB-CB 4.19Å; W127-I145 HydrophobicContact CB-CG2 4.31Å; W127-I145 PolarHBondContact N-O 3.26Å; I145-I161 HydrophobicContact CG2-CD1 4.01Å; I145-G211 WeakPolarHBondContact CA-O 3.45Å; I145-V212 HydrophobicContact CG1-CG2 4.29Å
146	I	91	Very high	87.4	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	151.3	-180	68	169.2	0	0	0	112.2	K125 V126 L140 V148 P155 I158 K210 G211 V213	K125-I146 VanDerWaalsContact O-CA 3.3Å; K125-I146 WeakPolarHBondContact O-CA 3.33Å; V126-I146 HydrophobicContact CB-CG2 4.48Å; V126-I146 HydrophobicContact CG2-CG2 4.36Å; L140-I146 HydrophobicContact CD2-CG2 4.08Å; I146-V148 HydrophobicContact CD1-CG1 4.16Å; I146-P155 HydrophobicContact CD1-CG 3.43Å; I146-P155 VanDerWaalsContact CD1-CG 3.43Å; I146-I158 HydrophobicContact CD1-CB 4.45Å; I146-I158 HydrophobicContact CD1-CD1 3.93Å; I146-I158 HydrophobicContact CD1-CG2 3.34Å; I146-I158 HydrophobicContact CG1-CD1 4.13Å; I146-I158 HydrophobicContact CG1-CG2 3.77Å; I146-K210 VanDerWaalsContact O-CA 3.31Å; I146-K210 WeakPolarHBondContact O-CA 3.49Å; I146-G211 PolarHBondContact N-O 2.62Å; I146-G211 PolarHBondContact O-N 3.39Å; I146-V213 HydrophobicContact CG2-CG2 3.91Å
147	E	91.9	Very high	87.6	Confident	30 Å²	30	32.8 Å²	32.8	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.8	173.4	-175	174	150.7	0	0	110.3	K125 W127 L132 K149 K210	K125-E147 PolarHBondContact O-N 3.41Å; W127-E147 PolarHBondContact NE1-OE2 3.22Å; W127-E147 VanDerWaalsContact NE1-OE2 3.08Å; L132-E147 HydrophobicContact CD1-CB 4.39Å; E147-K149 WeakPolarHBondContact OE1-CE 3.28Å; E147-K149 IonicContact OE1-NZ 3.4Å; E147-K149 PolarHBondContact OE1-NZ 3.15Å; E147-K210 HydrophobicContact CB-CG 4.42Å; E147-K210 HydrophobicContact CG-CG 4.3Å; E147-K210 WeakPolarHBondContact OE2-CE 3.25Å; E147-K210 IonicContact OE2-NZ 3.2Å
148	V	91.7	Very high	88	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.2	-178.4	-63.4	0	0	0	0	110.3	I146 I154 I158 L166 T208 G209	I146-V148 HydrophobicContact CD1-CG1 4.16Å; V148-I154 HydrophobicContact CB-CD1 3.96Å; V148-I154 HydrophobicContact CG1-CD1 3.69Å; V148-I154 HydrophobicContact CG2-CD1 4.06Å; V148-I158 HydrophobicContact CG1-CD1 4.38Å; V148-L166 HydrophobicContact CG2-CD1 4.37Å; V148-L166 HydrophobicContact CG2-CD2 4.26Å; V148-T208 WeakPolarHBondContact O-CA 3.41Å; V148-G209 WeakPolarHBondContact CG2-O 3.41Å; V148-G209 PolarHBondContact N-O 2.92Å; V148-G209 PolarHBondContact O-N 3.28Å
149	K	90.6	Very high	88.4	Confident	85 Å²	85	27.3 Å²	27.3	37%	0.37	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.7	177.2	-59	-173.2	179.3	177.7	0	110.2	E147 G151 D152 A204 T208	E147-K149 WeakPolarHBondContact OE1-CE 3.28Å; E147-K149 IonicContact OE1-NZ 3.4Å; E147-K149 PolarHBondContact OE1-NZ 3.15Å; K149-G151 PolarHBondContact O-N 3.43Å; K149-D152 PolarHBondContact N-OD2 3.33Å; K149-D152 VanDerWaalsContact N-OD2 3.11Å; K149-D152 VanDerWaalsContact O-CB 3.3Å; K149-D152 WeakPolarHBondContact O-CB 3.41Å; K149-D152 PolarHBondContact O-N 2.97Å; K149-A204 WeakPolarHBondContact O-CB 3.49Å; K149-T208 HydrophobicContact CB-CG2 4.43Å; K149-T208 HydrophobicContact CG-CG2 4Å
150	G	85.7	Confident	88.8	Confident	39 Å²	39	22.4 Å²	22.4	40%	0.402	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	123.9	171.6	0	0	0	0	0	111.5	A204 G207	G150-A204 CarbonylContact C-O 3.34Å; G150-A204 WeakPolarHBondContact CA-O 3.38Å; G150-G207 PolarHBondContact N-O 3.22Å
151	G	83.3	Confident	89	Confident	69 Å²	69	23.9 Å²	23.9	71%	0.711	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.6	-22.4	-171.7	0	0	0	0	0	114.3	K149 A204	K149-G151 PolarHBondContact O-N 3.43Å; G151-A204 PolarHBondContact N-O 3Å
152	D	86.8	Confident	89.3	Confident	52 Å²	52	26 Å²	26	28%	0.278	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-81.5	146.7	-179.6	-63.2	-24.1	0	0	0	111.2	K125 K149 A204	K125-D152 IonicContact NZ-OD2 3.51Å; K149-D152 PolarHBondContact N-OD2 3.33Å; K149-D152 VanDerWaalsContact N-OD2 3.11Å; K149-D152 VanDerWaalsContact O-CB 3.3Å; K149-D152 WeakPolarHBondContact O-CB 3.41Å; K149-D152 PolarHBondContact O-N 2.97Å; D152-A204 PolarHBondContact O-N 3.03Å
153	R	87.1	Confident	89.5	Confident	112 Å²	112	25.2 Å²	25.2	42%	0.423	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-84.8	142.6	166.4	-62.2	-154	167.5	162.1	-0.7	110.3	M119 P121 P155 N203	M119-R153 PolarHBondContact O-NH1 3.33Å; P121-R153 HydrophobicContact CB-CB 4.16Å; P121-R153 HydrophobicContact CG-CB 4.17Å; R153-P155 WeakPolarHBondContact O-CD 3.48Å; R153-N203 VanDerWaalsContact CG-OD1 3.27Å; R153-N203 WeakPolarHBondContact CG-OD1 3.42Å; R153-N203 PolarHBondContact NE-OD1 3.03Å
154	I	91	Very high	89.7	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-74.7	117.5	176.7	-54.5	-57.8	0	0	0	109.3	V148 A156 I158 A198 F199 S201 T202 A204	V148-I154 HydrophobicContact CB-CD1 3.96Å; V148-I154 HydrophobicContact CG1-CD1 3.69Å; V148-I154 HydrophobicContact CG2-CD1 4.06Å; I154-A156 WeakPolarHBondContact CG2-O 3.24Å; I154-I158 HydrophobicContact CG2-CD1 4.25Å; I154-I158 HydrophobicContact CG2-CG1 4.28Å; I154-A198 HydrophobicContact CD1-CB 4.31Å; I154-A198 HydrophobicContact CG1-CB 4.27Å; I154-A198 HydrophobicContact CG2-CB 4.3Å; I154-F199 VanDerWaalsContact CB-O 3.25Å; I154-F199 WeakPolarHBondContact CB-O 3.49Å; I154-F199 VanDerWaalsContact CG2-O 3.31Å; I154-F199 WeakPolarHBondContact CG2-O 3.33Å; I154-S201 PolarHBondContact O-N 3.34Å; I154-T202 WeakPolarHBondContact CG1-O 3.33Å; I154-T202 VanDerWaalsContact CG1-OG1 3.27Å; I154-T202 WeakPolarHBondContact CG1-OG1 3.38Å; I154-T202 PolarHBondContact N-O 3.34Å; I154-A204 HydrophobicContact CD1-CB 4.4Å
155	P	90	Very high	89.6	Confident	5 Å²	5	34 Å²	34	3%	0.032	21%	0.209	C	C	.	.			trans	-84.3	-13.5	-167.7	34.3	-38.5	0	0	0	114.9	N40 P121 A124 T137 L140 I146 R153 F200	N40-P155 PolarHBondContact ND2-O 2.79Å; P121-P155 HydrophobicContact CG-CB 3.76Å; A124-P155 HydrophobicContact CB-CB 3.86Å; A124-P155 HydrophobicContact CB-CG 3.83Å; T137-P155 HydrophobicContact CG2-CB 3.84Å; L140-P155 HydrophobicContact CD1-CB 3.66Å; L140-P155 HydrophobicContact CD1-CG 3.77Å; I146-P155 HydrophobicContact CD1-CG 3.43Å; I146-P155 VanDerWaalsContact CD1-CG 3.43Å; R153-P155 WeakPolarHBondContact O-CD 3.48Å; P155-F200 VanDerWaalsContact O-CD2 3.31Å; P155-F200 WeakPolarHBondContact O-CD2 3.37Å
156	A	90.3	Very high	89.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-160.1	168.5	179.3	0	0	0	0	0	109	I154 I158 V213 Y215	I154-A156 WeakPolarHBondContact CG2-O 3.24Å; A156-I158 WeakPolarHBondContact O-CG2 3.41Å; A156-I158 PolarHBondContact O-N 2.95Å; A156-V213 HydrophobicContact CB-CG1 3.74Å; A156-V213 HydrophobicContact CB-CG2 4.29Å; A156-Y215 WeakPolarHBondContact CB-O 3.22Å
157	D	91.7	Very high	89.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.6	171.8	-69.4	-15.1	0	0	0	109	F199 F200 I214 Y215 T220 V221	D157-F199 WeakPolarHBondContact OD1-CA 3.26Å; D157-F200 WeakPolarHBondContact OD1-CB 3.39Å; D157-F200 PolarHBondContact OD1-N 2.85Å; D157-I214 HydrophobicContact CB-CD1 4.23Å; D157-I214 HydrophobicContact CB-CG1 3.87Å; D157-I214 WeakPolarHBondContact O-CG1 3.42Å; D157-I214 PolarHBondContact O-N 2.9Å; D157-Y215 HydrophobicContact CB-CD2 4.28Å; D157-Y215 PolarHBondContact N-O 3.2Å; D157-Y215 PolarHBondContact O-N 3.03Å; D157-T220 HydrophobicContact CB-CG2 4.47Å; D157-T220 WeakPolarHBondContact OD2-CA 3.3Å; D157-T220 WeakPolarHBondContact OD2-CB 3.32Å; D157-V221 PolarHBondContact OD2-N 3.49Å
158	I	92.1	Very high	89.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143	-174.5	66.6	176.2	0	0	0	113.1	I146 V148 I154 A156 L160 I197 A198 V212 V213	I146-I158 HydrophobicContact CD1-CB 4.45Å; I146-I158 HydrophobicContact CD1-CD1 3.93Å; I146-I158 HydrophobicContact CD1-CG2 3.34Å; I146-I158 HydrophobicContact CG1-CD1 4.13Å; I146-I158 HydrophobicContact CG1-CG2 3.77Å; V148-I158 HydrophobicContact CG1-CD1 4.38Å; I154-I158 HydrophobicContact CG2-CD1 4.25Å; I154-I158 HydrophobicContact CG2-CG1 4.28Å; A156-I158 WeakPolarHBondContact O-CG2 3.41Å; A156-I158 PolarHBondContact O-N 2.95Å; I158-L160 HydrophobicContact CD1-CD2 4.12Å; I158-I197 VanDerWaalsContact O-CA 3.3Å; I158-I197 WeakPolarHBondContact O-CA 3.43Å; I158-A198 HydrophobicContact CD1-CB 4.09Å; I158-A198 HydrophobicContact CG1-CB 3.77Å; I158-A198 PolarHBondContact N-O 3.44Å; I158-A198 PolarHBondContact O-N 3.16Å; I158-V212 CarbonylContact C-O 3.57Å; I158-V212 VanDerWaalsContact CA-O 3.27Å; I158-V212 WeakPolarHBondContact CA-O 3.22Å; I158-V213 HydrophobicContact CG2-CG2 4.07Å
159	R	92.2	Very high	88.9	Confident	10 Å²	10	36.2 Å²	36.2	4%	0.038	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.9	170.2	-179.3	69.1	-177.6	83.3	5.8	109.4	L16 T184 N196 G211 V212 I214	L16-R159 HydrophobicContact CD2-CB 4Å; L16-R159 HydrophobicContact CD2-CG 3.63Å; R159-T184 PolarHBondContact NH1-O 2.99Å; R159-T184 PolarHBondContact NH2-O 3.43Å; R159-N196 WeakPolarHBondContact CD-O 3.3Å; R159-N196 VanDerWaalsContact CZ-CG 3.4Å; R159-N196 PolarHBondContact NE-ND2 3.28Å; R159-N196 PolarHBondContact NH1-ND2 3.49Å; R159-N196 PolarHBondContact NH1-O 3.11Å; R159-N196 PolarHBondContact NH2-ND2 3.16Å; R159-G211 CarbonylContact O-C 3.52Å; R159-G211 WeakPolarHBondContact O-CA 3.42Å; R159-V212 PolarHBondContact N-O 3.29Å; R159-V212 PolarHBondContact O-N 2.6Å; R159-I214 HydrophobicContact CB-CG2 3.79Å
160	L	92.4	Very high	88.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.9	-174.2	-67.3	169.3	0	0	0	112.4	I158 L166 R182 N196	I158-L160 HydrophobicContact CD1-CD2 4.12Å; L160-L166 HydrophobicContact CD1-CD2 4Å; L160-L166 HydrophobicContact CD2-CD2 3.9Å; L160-R182 HydrophobicContact CD1-CB 3.49Å; L160-R182 VanDerWaalsContact CD1-CB 3.49Å; L160-R182 HydrophobicContact CD1-CG 4.18Å; L160-N196 PolarHBondContact N-O 2.88Å
161	I	90.8	Very high	88.1	Confident	31 Å²	31	32 Å²	32	16%	0.159	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-27.8	175.5	50.1	170	0	0	0	112.1	I13 F17 I145 T184 K210 V212	I13-I161 HydrophobicContact CG2-CG2 4.07Å; F17-I161 HydrophobicContact CZ-CG2 4.1Å; I145-I161 HydrophobicContact CG2-CD1 4.01Å; I161-T184 VanDerWaalsContact C-CG2 3.42Å; I161-T184 VanDerWaalsContact O-CG2 3.24Å; I161-T184 WeakPolarHBondContact O-CG2 3.33Å; I161-K210 HydrophobicContact CD1-CB 4.12Å; I161-K210 HydrophobicContact CG1-CB 3.93Å; I161-K210 WeakPolarHBondContact CG1-O 3.15Å; I161-K210 PolarHBondContact N-O 3.13Å; I161-V212 HydrophobicContact CG2-CG2 3.96Å
162	V	90.2	Very high	87.7	Confident	56 Å²	56	29.6 Å²	29.6	34%	0.339	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	133.2	174.7	-178.1	0	0	0	0	107.9	H164 G209 K210	V162-H164 WeakPolarHBondContact CG1-NE2 3.34Å; V162-G209 CarbonylContact O-C 3.51Å; V162-G209 WeakPolarHBondContact O-CA 3.43Å; V162-K210 HydrophobicContact CB-CB 4.22Å; V162-K210 PolarHBondContact N-O 2.51Å; V162-K210 PolarHBondContact O-N 3Å
163	A	90.3	Very high	87.2	Confident	25 Å²	25	27.6 Å²	27.6	21%	0.207	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	125.6	175	0	0	0	0	0	110	L166	A163-L166 HydrophobicContact CB-CB 4.28Å
164	H	89	Confident	86.5	Confident	126 Å²	126	24.5 Å²	24.5	58%	0.583	15%	0.149	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	97.2	177.6	-66.1	-64.1	0	0	0	109.4	V162 L166 G207 T208	V162-H164 WeakPolarHBondContact CG1-NE2 3.34Å; H164-L166 PolarHBondContact O-N 2.9Å; H164-L166 VanDerWaalsContact O-N 3.09Å; H164-G207 VanDerWaalsContact O-CA 3.27Å; H164-G207 WeakPolarHBondContact O-CA 3.35Å; H164-T208 PolarHBondContact N-O 3.12Å; H164-T208 PolarHBondContact O-N 2.87Å
165	G	83.7	Confident	85.4	Confident	62 Å²	62	24.8 Å²	24.8	64%	0.639	15%	0.152	S	C	*	.	E	Extended strand (participates in β ladder)	trans	59.3	20.8	-178.6	0	0	0	0	0	113.9	K167	G165-K167 PolarHBondContact O-N 2.85Å
166	L	88.6	Confident	84.5	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.7	-176.7	-176.9	68.9	0	0	0	109.8	V148 L160 A163 H164 V168 R182 A204 E206	V148-L166 HydrophobicContact CG2-CD1 4.37Å; V148-L166 HydrophobicContact CG2-CD2 4.26Å; L160-L166 HydrophobicContact CD1-CD2 4Å; L160-L166 HydrophobicContact CD2-CD2 3.9Å; A163-L166 HydrophobicContact CB-CB 4.28Å; H164-L166 PolarHBondContact O-N 2.9Å; H164-L166 VanDerWaalsContact O-N 3.09Å; L166-V168 HydrophobicContact CD2-CG2 4.38Å; L166-V168 HydrophobicContact CG-CG2 4.19Å; L166-R182 HydrophobicContact CB-CB 4.21Å; L166-R182 HydrophobicContact CD2-CB 3.94Å; L166-R182 HydrophobicContact CD2-CG 4.29Å; L166-R182 HydrophobicContact CG-CB 4.11Å; L166-R182 HydrophobicContact CG-CG 4.37Å; L166-R182 PolarHBondContact O-N 3.27Å; L166-A204 HydrophobicContact CD1-CB 4.08Å; L166-E206 WeakPolarHBondContact CA-O 3.45Å
167	K	88.3	Confident	83.4	Confident	64 Å²	64	29.6 Å²	29.6	28%	0.278	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.2	167.4	-59.1	-166.3	-172.1	145.9	0	110.1	G165 P179 Q180 M205 E206	G165-K167 PolarHBondContact O-N 2.85Å; K167-P179 HydrophobicContact CB-CB 3.93Å; K167-P179 HydrophobicContact CD-CB 4.07Å; K167-Q180 WeakPolarHBondContact CA-O 3.46Å; K167-M205 PolarHBondContact O-N 3.21Å; K167-E206 HydrophobicContact CB-CG 3.93Å; K167-E206 HydrophobicContact CD-CG 4.21Å; K167-E206 WeakPolarHBondContact CD-OE1 3.46Å; K167-E206 WeakPolarHBondContact CE-OE1 3.28Å; K167-E206 HydrophobicContact CG-CG 3.98Å; K167-E206 PolarHBondContact N-O 2.79Å; K167-E206 IonicContact NZ-OE1 2.54Å; K167-E206 PolarHBondContact NZ-OE1 3.14Å
168	V	88.7	Confident	82.4	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.7	-175.9	179.5	0	0	0	0	109.2	L166 Q180 R182 A198 T202 N203	L166-V168 HydrophobicContact CD2-CG2 4.38Å; L166-V168 HydrophobicContact CG-CG2 4.19Å; V168-Q180 PolarHBondContact N-O 2.96Å; V168-Q180 PolarHBondContact O-N 3.34Å; V168-R182 HydrophobicContact CB-CG 4.13Å; V168-R182 HydrophobicContact CG2-CG 3.63Å; V168-A198 HydrophobicContact CG2-CB 4.42Å; V168-T202 VanDerWaalsContact CG1-CB 3.46Å; V168-T202 HydrophobicContact CG1-CG2 4.37Å; V168-T202 WeakPolarHBondContact CG1-OG1 3.22Å; V168-N203 CarbonylContact C-O 3.45Å; V168-N203 WeakPolarHBondContact CA-O 3.26Å
169	D	85	Confident	81.9	Confident	23 Å²	23	34.4 Å²	34.4	12%	0.123	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	111.1	171.9	176.3	5	0	0	0	109.5	S171 T202 N203 M205	D169-S171 VanDerWaalsContact CG-OG 3.3Å; D169-S171 WeakPolarHBondContact OD1-CB 3.12Å; D169-S171 PolarHBondContact OD1-N 2.71Å; D169-S171 PolarHBondContact OD1-OG 2.92Å; D169-S171 PolarHBondContact OD2-OG 2.54Å; D169-T202 VanDerWaalsContact O-CB 3.29Å; D169-T202 WeakPolarHBondContact O-CB 3.41Å; D169-N203 HydrophobicContact CB-CB 4.42Å; D169-N203 PolarHBondContact N-O 3.35Å; D169-N203 PolarHBondContact O-N 2.63Å; D169-M205 HydrophobicContact CB-CG 3.82Å; D169-M205 HydrophobicContact CB-SD 4.04Å
170	N	83.5	Confident	81.5	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.021	22%	0.222	C	C	.	.			trans	-97.5	16.3	-179.5	-82.2	7.6	0	0	0	112.7	S172 L173 T174 R182	N170-S172 PolarHBondContact O-N 3.33Å; N170-L173 PolarHBondContact O-N 2.81Å; N170-T174 HydrophobicContact CB-CG2 4.22Å; N170-T174 PolarHBondContact O-N 2.74Å; N170-T174 PolarHBondContact O-OG1 3.42Å; N170-R182 PolarHBondContact ND2-NH2 3.4Å
171	S	75.5	Confident	81.4	Confident	33 Å²	33	40.8 Å²	40.8	23%	0.231	25%	0.246	C	C	.	.	H	α-helix	trans	-53.8	-37.4	-179.1	52.4	0	0	0	0	113	D169 L173 G175 E176	D169-S171 VanDerWaalsContact CG-OG 3.3Å; D169-S171 WeakPolarHBondContact OD1-CB 3.12Å; D169-S171 PolarHBondContact OD1-N 2.71Å; D169-S171 PolarHBondContact OD1-OG 2.92Å; D169-S171 PolarHBondContact OD2-OG 2.54Å; S171-L173 PolarHBondContact O-N 2.8Å; S171-G175 VanDerWaalsContact O-CA 3.26Å; S171-G175 WeakPolarHBondContact O-CA 3.41Å; S171-G175 PolarHBondContact O-N 3.07Å; S171-E176 WeakPolarHBondContact CA-O 3.29Å; S171-E176 WeakPolarHBondContact CB-O 3.42Å; S171-E176 PolarHBondContact N-O 2.74Å; S171-E176 VanDerWaalsContact N-O 3.13Å
172	S	74.2	Confident	81.3	Confident	18 Å²	18	40 Å²	40	13%	0.126	24%	0.241	C	C	.	.	H	α-helix	trans	-56.9	-31.2	175.3	-54.6	0	0	0	0	113.7	N170 V674 N675	N170-S172 PolarHBondContact O-N 3.33Å; S172-V674 WeakPolarHBondContact O-CB 3.16Å; S172-N675 PolarHBondContact O-N 2.93Å
173	L	76.9	Confident	81.3	Confident	10 Å²	10	40.1 Å²	40.1	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-103.4	-36.1	-175.6	-69.9	169.6	0	0	0	113.2	N170 S171 F199 T202 V221 M222 I225	N170-L173 PolarHBondContact O-N 2.81Å; S171-L173 PolarHBondContact O-N 2.8Å; L173-F199 HydrophobicContact CD1-CB 3.37Å; L173-F199 HydrophobicContact CD1-CD1 4.12Å; L173-F199 HydrophobicContact CD1-CD2 3.58Å; L173-F199 HydrophobicContact CD1-CE2 4.4Å; L173-F199 HydrophobicContact CD1-CG 3.42Å; L173-F199 VanDerWaalsContact CD1-CG 3.42Å; L173-T202 HydrophobicContact CD1-CG2 4.1Å; L173-V221 HydrophobicContact CD2-CG1 3.77Å; L173-M222 HydrophobicContact CD2-CB 4.47Å; L173-M222 HydrophobicContact CD2-SD 4.28Å; L173-I225 HydrophobicContact CD2-CD1 3.7Å
174	T	72.7	Confident	81.3	Confident	47 Å²	47	41.2 Å²	41.2	29%	0.288	25%	0.246	S	C	.	.	H	α-helix	trans	-106	-21.6	-170.8	59.7	0	0	0	0	112.8	N170 E176	N170-T174 HydrophobicContact CB-CG2 4.22Å; N170-T174 PolarHBondContact O-N 2.74Å; N170-T174 PolarHBondContact O-OG1 3.42Å; T174-E176 PolarHBondContact OG1-N 3.25Å
175	G	67.1	Low	81.1	Confident	6 Å²	6	42 Å²	42	6%	0.062	25%	0.25	C	S	.	.	S	Bend	trans	80.4	-8.8	-166.7	0	0	0	0	0	113.6	S171 T333	S171-G175 VanDerWaalsContact O-CA 3.26Å; S171-G175 WeakPolarHBondContact O-CA 3.41Å; S171-G175 PolarHBondContact O-N 3.07Å; G175-T333 WeakPolarHBondContact O-CG2 3.35Å
176	E	70.3	Confident	81.3	Confident	54 Å²	54	41.8 Å²	41.8	25%	0.252	24%	0.238	S	C	.	.			trans	-90.9	125.2	-179.1	-64.2	-173.8	179.9	0	0	111.3	S171 T174 D178	S171-E176 WeakPolarHBondContact CA-O 3.29Å; S171-E176 WeakPolarHBondContact CB-O 3.42Å; S171-E176 PolarHBondContact N-O 2.74Å; S171-E176 VanDerWaalsContact N-O 3.13Å; T174-E176 PolarHBondContact OG1-N 3.25Å; E176-D178 VanDerWaalsContact C-N 3.33Å
177	S	67.8	Low	81.1	Confident	51 Å²	51	45.9 Å²	45.9	36%	0.357	26%	0.263	S	S	.	.			trans	-84.4	-5	179.1	55.6	0	0	0	0	113.9	P179 N339	S177-P179 WeakPolarHBondContact O-CD 3.48Å; S177-N339 PolarHBondContact OG-OD1 2.84Å
178	D	71.8	Confident	80.8	Confident	52 Å²	52	45.2 Å²	45.2	28%	0.278	26%	0.263	S	S	.	.	S	Bend	trans	-69.5	122.8	179.6	-88.2	-9.9	0	0	0	110.8	E176 Q180	E176-D178 VanDerWaalsContact C-N 3.33Å; D178-Q180 PolarHBondContact O-N 3.17Å; D178-Q180 PolarHBondContact O-NE2 2.87Å; D178-Q180 VanDerWaalsContact O-NE2 3.13Å
179	P	80.5	Confident	80.2	Confident	50 Å²	50	50.2 Å²	50.2	33%	0.325	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-62.2	119.6	-179	-23.9	33.8	0	0	0	112.1	K167 S177 M205	K167-P179 HydrophobicContact CB-CB 3.93Å; K167-P179 HydrophobicContact CD-CB 4.07Å; S177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-M205 HydrophobicContact CB-CB 4.47Å; P179-M205 HydrophobicContact CB-CG 4.34Å; P179-M205 HydrophobicContact CG-CG 4.31Å
180	Q	85.1	Confident	79.7	Confident	71 Å²	71	52 Å²	52	33%	0.332	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.2	-178	-61.4	-59.8	-42.5	0	0	110.7	K167 V168 D178	K167-Q180 WeakPolarHBondContact CA-O 3.46Å; V168-Q180 PolarHBondContact N-O 2.96Å; V168-Q180 PolarHBondContact O-N 3.34Å; D178-Q180 PolarHBondContact O-N 3.17Å; D178-Q180 PolarHBondContact O-NE2 2.87Å; D178-Q180 VanDerWaalsContact O-NE2 3.13Å
181	S	88.4	Confident	79.5	Confident	72 Å²	72	52.1 Å²	52.1	50%	0.503	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	142	177.8	-70.7	0	0	0	0	112.4
182	R	90.1	Very high	79.7	Confident	15 Å²	15	52.7 Å²	52.7	6%	0.057	31%	0.308	C	S	.	.			trans	-120.7	136.5	-178.6	-59.1	-66.2	151.3	-169.7	-17.4	111.8	L160 L166 V168 N170 T194 A195 I197	L160-R182 HydrophobicContact CD1-CB 3.49Å; L160-R182 VanDerWaalsContact CD1-CB 3.49Å; L160-R182 HydrophobicContact CD1-CG 4.18Å; L166-R182 HydrophobicContact CB-CB 4.21Å; L166-R182 HydrophobicContact CD2-CB 3.94Å; L166-R182 HydrophobicContact CD2-CG 4.29Å; L166-R182 HydrophobicContact CG-CB 4.11Å; L166-R182 HydrophobicContact CG-CG 4.37Å; L166-R182 PolarHBondContact O-N 3.27Å; V168-R182 HydrophobicContact CB-CG 4.13Å; V168-R182 HydrophobicContact CG2-CG 3.63Å; N170-R182 PolarHBondContact ND2-NH2 3.4Å; R182-T194 PolarHBondContact NH1-O 2.95Å; R182-A195 CarbonylContact C-O 3.55Å; R182-A195 VanDerWaalsContact CA-O 3.22Å; R182-A195 WeakPolarHBondContact CA-O 3.41Å; R182-A195 WeakPolarHBondContact CD-O 3.37Å; R182-I197 WeakPolarHBondContact CD-O 3.35Å; R182-I197 PolarHBondContact NH1-O 3.18Å
183	T	89.8	Confident	79.9	Confident	58 Å²	58	55.6 Å²	55.6	36%	0.356	32%	0.32	S	S	.	.			trans	-133.7	-179.9	-178	62	0	0	0	0	110.1	E185 A195 N196	T183-E185 PolarHBondContact OG1-O 3.27Å; T183-A195 PolarHBondContact N-O 3.48Å; T183-A195 WeakPolarHBondContact OG1-CB 3.43Å; T183-N196 VanDerWaalsContact O-CA 3.27Å; T183-N196 WeakPolarHBondContact O-CA 3.46Å
184	T	89.5	Confident	80.4	Confident	48 Å²	48	55.1 Å²	55.1	29%	0.294	32%	0.318	S	S	.	.	S	Bend	trans	-92.4	-20.8	176.1	52	0	0	0	0	112.6	R159 I161	R159-T184 PolarHBondContact NH1-O 2.99Å; R159-T184 PolarHBondContact NH2-O 3.43Å; I161-T184 VanDerWaalsContact C-CG2 3.42Å; I161-T184 VanDerWaalsContact O-CG2 3.24Å; I161-T184 WeakPolarHBondContact O-CG2 3.33Å
185	E	86	Confident	81.3	Confident	144 Å²	144	53.5 Å²	53.5	67%	0.673	31%	0.309	S	S	*	.	S	Bend	trans	-86.4	138.6	-176.3	-63.8	-176.9	172.8	0	0	112.3	T183 T187 N196	T183-E185 PolarHBondContact OG1-O 3.27Å; E185-T187 PolarHBondContact O-N 3.19Å; E185-N196 VanDerWaalsContact O-CB 3.3Å; E185-N196 WeakPolarHBondContact O-CB 2.96Å
186	C	86.8	Confident	82.4	Confident	57 Å²	57	53.2 Å²	53.2	39%	0.385	31%	0.306	S	S	.	.			trans	-68.3	118.3	174.4	-169.6	0	0	0	0	110.4	N188 N196	C186-N188 PolarHBondContact SG-O 3.49Å; C186-N188 VanDerWaalsContact SG-O 3.33Å; C186-N196 VanDerWaalsContact CA-ND2 3.25Å; C186-N196 WeakPolarHBondContact CA-ND2 3.47Å; C186-N196 WeakPolarHBondContact CB-ND2 3.19Å; C186-N196 PolarHBondContact N-ND2 3.49Å
187	T	84.9	Confident	83.5	Confident	87 Å²	87	50.7 Å²	50.7	53%	0.534	29%	0.294	S	S	.	.			trans	-102.3	-18.4	-177	57.3	0	0	0	0	113.5	E185 T194 A195	E185-T187 PolarHBondContact O-N 3.19Å; T187-T194 PolarHBondContact N-OG1 2.85Å; T187-T194 VanDerWaalsContact N-OG1 3.15Å; T187-T194 WeakPolarHBondContact OG1-CA 3.28Å; T187-A195 HydrophobicContact CG2-CB 3.81Å; T187-A195 PolarHBondContact OG1-N 2.98Å
188	N	82.5	Confident	84.6	Confident	50 Å²	50	48.2 Å²	48.2	27%	0.267	28%	0.277	S	S	.	.			trans	-147.9	148.1	-177.3	-162.4	-48.4	0	0	0	110.6	C186 N190 E193	C186-N188 PolarHBondContact SG-O 3.49Å; C186-N188 VanDerWaalsContact SG-O 3.33Å; N188-N190 VanDerWaalsContact C-N 3.26Å; N188-N190 PolarHBondContact O-N 3.45Å; N188-N190 PolarHBondContact OD1-N 3.32Å; N188-E193 HydrophobicContact CB-CB 4.01Å; N188-E193 PolarHBondContact ND2-OE2 3.02Å
189	S	76.2	Confident	85.5	Confident	104 Å²	104	45.8 Å²	45.8	73%	0.727	26%	0.264	S	S	*	.	S	Bend	trans	-66.8	-24.8	172.3	65.9	0	0	0	0	113.9
190	N	75	Confident	85.8	Confident	60 Å²	60	43.9 Å²	43.9	32%	0.321	25%	0.25	S	S	.	.	S	Bend	trans	-84.4	120.4	175.6	-176.3	-6.5	0	0	0	109.3	N188 L192 E193 T194	N188-N190 VanDerWaalsContact C-N 3.26Å; N188-N190 PolarHBondContact O-N 3.45Å; N188-N190 PolarHBondContact OD1-N 3.32Å; N190-L192 PolarHBondContact O-N 3.32Å; N190-L192 VanDerWaalsContact O-N 3.16Å; N190-L192 PolarHBondContact OD1-N 3.05Å; N190-L192 VanDerWaalsContact OD1-N 3.1Å; N190-E193 HydrophobicContact CB-CB 4.31Å; N190-E193 HydrophobicContact CB-CG 4.35Å; N190-E193 PolarHBondContact O-N 3.32Å; N190-T194 PolarHBondContact O-N 3.39Å
191	P	78.8	Confident	85.8	Confident	8 Å²	8	40.7 Å²	40.7	5%	0.052	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.1	179.9	18.2	-30.1	0	0	0	113	Q6 E193 T194 I197 F199	Q6-P191 HydrophobicContact CB-CB 4.22Å; Q6-P191 HydrophobicContact CB-CG 4.24Å; Q6-P191 HydrophobicContact CG-CB 4.26Å; Q6-P191 HydrophobicContact CG-CG 4.16Å; P191-E193 VanDerWaalsContact C-N 3.28Å; P191-E193 PolarHBondContact O-N 3.48Å; P191-T194 VanDerWaalsContact O-CG2 3.29Å; P191-T194 WeakPolarHBondContact O-CG2 3.49Å; P191-I197 HydrophobicContact CB-CD1 4.23Å; P191-F199 VanDerWaalsContact O-CZ 3.29Å; P191-F199 WeakPolarHBondContact O-CZ 3.38Å
192	L	78.6	Confident	85.7	Confident	45 Å²	45	37.2 Å²	37.2	24%	0.236	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-26	179.2	-61.6	177.4	0	0	0	113.3	N190 F199 V221	N190-L192 PolarHBondContact O-N 3.32Å; N190-L192 VanDerWaalsContact O-N 3.16Å; N190-L192 PolarHBondContact OD1-N 3.05Å; N190-L192 VanDerWaalsContact OD1-N 3.1Å; L192-F199 HydrophobicContact CD2-CE1 4.09Å; L192-F199 HydrophobicContact CD2-CZ 4.04Å; L192-V221 HydrophobicContact CD2-CG1 3.96Å; L192-V221 HydrophobicContact CD2-CG2 4.48Å
193	E	79.9	Confident	85.6	Confident	79 Å²	79	38.8 Å²	38.8	37%	0.369	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-16.8	-176.9	-64.3	-166.7	151.4	0	0	113.2	N188 N190 P191 R647	N188-E193 HydrophobicContact CB-CB 4.01Å; N188-E193 PolarHBondContact ND2-OE2 3.02Å; N190-E193 HydrophobicContact CB-CB 4.31Å; N190-E193 HydrophobicContact CB-CG 4.35Å; N190-E193 PolarHBondContact O-N 3.32Å; P191-E193 VanDerWaalsContact C-N 3.28Å; P191-E193 PolarHBondContact O-N 3.48Å; E193-R647 IonicContact OE1-CZ 3.68Å; E193-R647 IonicContact OE1-NE 3.02Å; E193-R647 PolarHBondContact OE1-NE 3.46Å; E193-R647 IonicContact OE1-NH2 2.74Å; E193-R647 PolarHBondContact OE1-NH2 3.43Å
194	T	87.3	Confident	85.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.205	C	C	.	.			trans	-69.2	142.4	179.4	-173.2	0	0	0	0	111.5	E9 R182 T187 N190 P191 N196 I197	E9-T194 HydrophobicContact CB-CG2 4.32Å; R182-T194 PolarHBondContact NH1-O 2.95Å; T187-T194 PolarHBondContact N-OG1 2.85Å; T187-T194 VanDerWaalsContact N-OG1 3.15Å; T187-T194 WeakPolarHBondContact OG1-CA 3.28Å; N190-T194 PolarHBondContact O-N 3.39Å; P191-T194 VanDerWaalsContact O-CG2 3.29Å; P191-T194 WeakPolarHBondContact O-CG2 3.49Å; T194-N196 WeakPolarHBondContact CG2-OD1 3.16Å; T194-N196 PolarHBondContact O-N 3.34Å; T194-N196 PolarHBondContact OG1-OD1 2.81Å; T194-I197 HydrophobicContact CG2-CB 4.47Å; T194-I197 HydrophobicContact CG2-CD1 4.2Å; T194-I197 HydrophobicContact CG2-CG1 4.33Å
195	A	90	Very high	85.2	Confident	13 Å²	13	38.6 Å²	38.6	11%	0.107	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-6.8	-178.7	0	0	0	0	0	113.1	R182 T183 T187	R182-A195 CarbonylContact C-O 3.55Å; R182-A195 VanDerWaalsContact CA-O 3.22Å; R182-A195 WeakPolarHBondContact CA-O 3.41Å; R182-A195 WeakPolarHBondContact CD-O 3.37Å; T183-A195 PolarHBondContact N-O 3.48Å; T183-A195 WeakPolarHBondContact OG1-CB 3.43Å; T187-A195 HydrophobicContact CG2-CB 3.81Å; T187-A195 PolarHBondContact OG1-N 2.98Å
196	N	92	Very high	85.2	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	0.4	-165.5	82.1	-19.7	0	0	0	114.8	E9 R159 L160 T183 E185 C186 T194	E9-N196 PolarHBondContact O-ND2 3.41Å; R159-N196 WeakPolarHBondContact CD-O 3.3Å; R159-N196 VanDerWaalsContact CZ-CG 3.4Å; R159-N196 PolarHBondContact NE-ND2 3.28Å; R159-N196 PolarHBondContact NH1-ND2 3.49Å; R159-N196 PolarHBondContact NH1-O 3.11Å; R159-N196 PolarHBondContact NH2-ND2 3.16Å; L160-N196 PolarHBondContact N-O 2.88Å; T183-N196 VanDerWaalsContact O-CA 3.27Å; T183-N196 WeakPolarHBondContact O-CA 3.46Å; E185-N196 VanDerWaalsContact O-CB 3.3Å; E185-N196 WeakPolarHBondContact O-CB 2.96Å; C186-N196 VanDerWaalsContact CA-ND2 3.25Å; C186-N196 WeakPolarHBondContact CA-ND2 3.47Å; C186-N196 WeakPolarHBondContact CB-ND2 3.19Å; C186-N196 PolarHBondContact N-ND2 3.49Å; T194-N196 WeakPolarHBondContact CG2-OD1 3.16Å; T194-N196 PolarHBondContact O-N 3.34Å; T194-N196 PolarHBondContact OG1-OD1 2.81Å
197	I	91.9	Very high	85.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.6	172.4	-68.8	172.6	0	0	0	109.4	E9 I158 R182 P191 T194 F199 I214	E9-I197 HydrophobicContact CB-CD1 3.66Å; E9-I197 HydrophobicContact CB-CG1 4.38Å; I158-I197 VanDerWaalsContact O-CA 3.3Å; I158-I197 WeakPolarHBondContact O-CA 3.43Å; R182-I197 WeakPolarHBondContact CD-O 3.35Å; R182-I197 PolarHBondContact NH1-O 3.18Å; P191-I197 HydrophobicContact CB-CD1 4.23Å; T194-I197 HydrophobicContact CG2-CB 4.47Å; T194-I197 HydrophobicContact CG2-CD1 4.2Å; T194-I197 HydrophobicContact CG2-CG1 4.33Å; I197-F199 HydrophobicContact CB-CE1 4.5Å; I197-F199 HydrophobicContact CB-CZ 4.27Å; I197-F199 HydrophobicContact CG2-CD1 3.86Å; I197-F199 HydrophobicContact CG2-CE1 3.49Å; I197-F199 VanDerWaalsContact CG2-CE1 3.49Å; I197-F199 HydrophobicContact CG2-CE2 4.21Å; I197-F199 HydrophobicContact CG2-CG 4.35Å; I197-F199 HydrophobicContact CG2-CZ 3.67Å; I197-I214 HydrophobicContact CD1-CD1 4.31Å
198	A	91.8	Very high	85.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.6	161.9	0	0	0	0	0	109.4	I154 I158 V168	I154-A198 HydrophobicContact CD1-CB 4.31Å; I154-A198 HydrophobicContact CG1-CB 4.27Å; I154-A198 HydrophobicContact CG2-CB 4.3Å; I158-A198 HydrophobicContact CD1-CB 4.09Å; I158-A198 HydrophobicContact CG1-CB 3.77Å; I158-A198 PolarHBondContact N-O 3.44Å; I158-A198 PolarHBondContact O-N 3.16Å; V168-A198 HydrophobicContact CG2-CB 4.42Å
199	F	90.6	Very high	85.9	Confident	1 Å²	1	31 Å²	31	0%	0.004	18%	0.178	C	C	.	.			trans	-108.2	150.6	-165.8	-58.6	-80.3	0	0	0	113.1	I154 D157 L173 P191 L192 I197 S201 T202 V221	I154-F199 VanDerWaalsContact CB-O 3.25Å; I154-F199 WeakPolarHBondContact CB-O 3.49Å; I154-F199 VanDerWaalsContact CG2-O 3.31Å; I154-F199 WeakPolarHBondContact CG2-O 3.33Å; D157-F199 WeakPolarHBondContact OD1-CA 3.26Å; L173-F199 HydrophobicContact CD1-CB 3.37Å; L173-F199 HydrophobicContact CD1-CD1 4.12Å; L173-F199 HydrophobicContact CD1-CD2 3.58Å; L173-F199 HydrophobicContact CD1-CE2 4.4Å; L173-F199 HydrophobicContact CD1-CG 3.42Å; L173-F199 VanDerWaalsContact CD1-CG 3.42Å; P191-F199 VanDerWaalsContact O-CZ 3.29Å; P191-F199 WeakPolarHBondContact O-CZ 3.38Å; L192-F199 HydrophobicContact CD2-CE1 4.09Å; L192-F199 HydrophobicContact CD2-CZ 4.04Å; I197-F199 HydrophobicContact CB-CE1 4.5Å; I197-F199 HydrophobicContact CB-CZ 4.27Å; I197-F199 HydrophobicContact CG2-CD1 3.86Å; I197-F199 HydrophobicContact CG2-CE1 3.49Å; I197-F199 VanDerWaalsContact CG2-CE1 3.49Å; I197-F199 HydrophobicContact CG2-CE2 4.21Å; I197-F199 HydrophobicContact CG2-CG 4.35Å; I197-F199 HydrophobicContact CG2-CZ 3.67Å; F199-S201 PolarHBondContact O-N 3.46Å; F199-T202 HydrophobicContact CB-CG2 3.89Å; F199-T202 WeakPolarHBondContact O-CB 3.46Å; F199-T202 PolarHBondContact O-N 2.98Å; F199-T202 PolarHBondContact O-OG1 3.13Å; F199-V221 HydrophobicContact CD1-CB 4.24Å; F199-V221 HydrophobicContact CD1-CG2 3.86Å; F199-V221 HydrophobicContact CE1-CG2 3.95Å
200	F	87.6	Confident	86.6	Confident	9 Å²	9	29.1 Å²	29.1	4%	0.039	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	136.9	171.9	176.1	-126	0	0	0	111.3	V42 V120 P155 D157 T202 T220 M222	V42-F200 HydrophobicContact CG2-CE1 4.25Å; V120-F200 HydrophobicContact CB-CZ 4.33Å; V120-F200 HydrophobicContact CG1-CE2 4.31Å; V120-F200 HydrophobicContact CG1-CZ 4.45Å; V120-F200 HydrophobicContact CG2-CE2 4.33Å; V120-F200 HydrophobicContact CG2-CZ 3.7Å; P155-F200 VanDerWaalsContact O-CD2 3.31Å; P155-F200 WeakPolarHBondContact O-CD2 3.37Å; D157-F200 WeakPolarHBondContact OD1-CB 3.39Å; D157-F200 PolarHBondContact OD1-N 2.85Å; F200-T202 VanDerWaalsContact C-N 3.29Å; F200-T202 PolarHBondContact O-N 3.46Å; F200-T220 HydrophobicContact CB-CG2 3.93Å; F200-T220 HydrophobicContact CD1-CG2 4.36Å; F200-T220 WeakPolarHBondContact CD1-OG1 3.36Å; F200-T220 HydrophobicContact CG-CG2 4.27Å; F200-M222 HydrophobicContact CB-CB 4.43Å; F200-M222 HydrophobicContact CD1-CB 3.8Å; F200-M222 HydrophobicContact CD1-CG 4.1Å; F200-M222 HydrophobicContact CE1-CG 4.38Å
201	S	83.1	Confident	87.4	Confident	4 Å²	4	26.2 Å²	26.2	3%	0.028	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	0.1	-177.9	83.3	0	0	0	0	117.1	I154 F199 M222	I154-S201 PolarHBondContact O-N 3.34Å; F199-S201 PolarHBondContact O-N 3.46Å; S201-M222 WeakPolarHBondContact OG-CG 3.14Å
202	T	87.7	Confident	88	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.			trans	-80.9	155.1	172.7	63.7	0	0	0	0	111.4	I154 V168 D169 L173 F199 F200	I154-T202 WeakPolarHBondContact CG1-O 3.33Å; I154-T202 VanDerWaalsContact CG1-OG1 3.27Å; I154-T202 WeakPolarHBondContact CG1-OG1 3.38Å; I154-T202 PolarHBondContact N-O 3.34Å; V168-T202 VanDerWaalsContact CG1-CB 3.46Å; V168-T202 HydrophobicContact CG1-CG2 4.37Å; V168-T202 WeakPolarHBondContact CG1-OG1 3.22Å; D169-T202 VanDerWaalsContact O-CB 3.29Å; D169-T202 WeakPolarHBondContact O-CB 3.41Å; L173-T202 HydrophobicContact CD1-CG2 4.1Å; F199-T202 HydrophobicContact CB-CG2 3.89Å; F199-T202 WeakPolarHBondContact O-CB 3.46Å; F199-T202 PolarHBondContact O-N 2.98Å; F199-T202 PolarHBondContact O-OG1 3.13Å; F200-T202 VanDerWaalsContact C-N 3.29Å; F200-T202 PolarHBondContact O-N 3.46Å
203	N	86.9	Confident	88.5	Confident	47 Å²	47	23.7 Å²	23.7	25%	0.251	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.8	-179.2	-58.6	-46	0	0	0	110.3	R153 V168 D169 M205	R153-N203 VanDerWaalsContact CG-OD1 3.27Å; R153-N203 WeakPolarHBondContact CG-OD1 3.42Å; R153-N203 PolarHBondContact NE-OD1 3.03Å; V168-N203 CarbonylContact C-O 3.45Å; V168-N203 WeakPolarHBondContact CA-O 3.26Å; D169-N203 HydrophobicContact CB-CB 4.42Å; D169-N203 PolarHBondContact N-O 3.35Å; D169-N203 PolarHBondContact O-N 2.63Å; N203-M205 PolarHBondContact O-N 3.06Å
204	A	89.3	Confident	89	Confident	2 Å²	2	20.4 Å²	20.4	2%	0.017	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.1	167.1	0	0	0	0	0	108.6	K149 G150 G151 D152 I154 L166	K149-A204 WeakPolarHBondContact O-CB 3.49Å; G150-A204 CarbonylContact C-O 3.34Å; G150-A204 WeakPolarHBondContact CA-O 3.38Å; G151-A204 PolarHBondContact N-O 3Å; D152-A204 PolarHBondContact O-N 3.03Å; I154-A204 HydrophobicContact CD1-CB 4.4Å; L166-A204 HydrophobicContact CD1-CB 4.08Å
205	M	83.3	Confident	89	Confident	101 Å²	101	22.6 Å²	22.6	50%	0.498	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-43.2	-176.1	-67.3	-62.2	-73.2	0	0	111.8	K167 D169 P179 N203	K167-M205 PolarHBondContact O-N 3.21Å; D169-M205 HydrophobicContact CB-CG 3.82Å; D169-M205 HydrophobicContact CB-SD 4.04Å; P179-M205 HydrophobicContact CB-CB 4.47Å; P179-M205 HydrophobicContact CB-CG 4.34Å; P179-M205 HydrophobicContact CG-CG 4.31Å; N203-M205 PolarHBondContact O-N 3.06Å
206	E	84.9	Confident	89	Confident	92 Å²	92	22.2 Å²	22.2	43%	0.43	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	166.9	179.5	60.3	177.4	-177.3	0	0	111	L166 K167	L166-E206 WeakPolarHBondContact CA-O 3.45Å; K167-E206 HydrophobicContact CB-CG 3.93Å; K167-E206 HydrophobicContact CD-CG 4.21Å; K167-E206 WeakPolarHBondContact CD-OE1 3.46Å; K167-E206 WeakPolarHBondContact CE-OE1 3.28Å; K167-E206 HydrophobicContact CG-CG 3.98Å; K167-E206 PolarHBondContact N-O 2.79Å; K167-E206 IonicContact NZ-OE1 2.54Å; K167-E206 PolarHBondContact NZ-OE1 3.14Å
207	G	85.7	Confident	88.5	Confident	28 Å²	28	22.4 Å²	22.4	29%	0.289	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.6	-172.1	-179.1	0	0	0	0	0	114	G150 H164	G150-G207 PolarHBondContact N-O 3.22Å; H164-G207 VanDerWaalsContact O-CA 3.27Å; H164-G207 WeakPolarHBondContact O-CA 3.35Å
208	T	92	Very high	88	Confident	55 Å²	55	24.8 Å²	24.8	34%	0.337	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.6	178.2	63.1	0	0	0	0	110.6	V148 K149 H164	V148-T208 WeakPolarHBondContact O-CA 3.41Å; K149-T208 HydrophobicContact CB-CG2 4.43Å; K149-T208 HydrophobicContact CG-CG2 4Å; H164-T208 PolarHBondContact N-O 3.12Å; H164-T208 PolarHBondContact O-N 2.87Å
209	G	90.6	Very high	87.7	Confident	3 Å²	3	30.2 Å²	30.2	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	157.3	175.6	0	0	0	0	0	113.3	V148 V162	V148-G209 WeakPolarHBondContact CG2-O 3.41Å; V148-G209 PolarHBondContact N-O 2.92Å; V148-G209 PolarHBondContact O-N 3.28Å; V162-G209 CarbonylContact O-C 3.51Å; V162-G209 WeakPolarHBondContact O-CA 3.43Å
210	K	91.8	Very high	87.6	Confident	64 Å²	64	30.1 Å²	30.1	28%	0.278	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.2	168.4	-64.1	-173.2	177.4	-170.6	0	108.6	I146 E147 I161 V162	I146-K210 VanDerWaalsContact O-CA 3.31Å; I146-K210 WeakPolarHBondContact O-CA 3.49Å; E147-K210 HydrophobicContact CB-CG 4.42Å; E147-K210 HydrophobicContact CG-CG 4.3Å; E147-K210 WeakPolarHBondContact OE2-CE 3.25Å; E147-K210 IonicContact OE2-NZ 3.2Å; I161-K210 HydrophobicContact CD1-CB 4.12Å; I161-K210 HydrophobicContact CG1-CB 3.93Å; I161-K210 WeakPolarHBondContact CG1-O 3.15Å; I161-K210 PolarHBondContact N-O 3.13Å; V162-K210 HydrophobicContact CB-CB 4.22Å; V162-K210 PolarHBondContact N-O 2.51Å; V162-K210 PolarHBondContact O-N 3Å
211	G	91.1	Very high	87.4	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	151.9	-178.1	0	0	0	0	0	113	I145 I146 R159	I145-G211 WeakPolarHBondContact CA-O 3.45Å; I146-G211 PolarHBondContact N-O 2.62Å; I146-G211 PolarHBondContact O-N 3.39Å; R159-G211 CarbonylContact O-C 3.52Å; R159-G211 WeakPolarHBondContact O-CA 3.42Å
212	V	90.9	Very high	87.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.1	173.8	-174.1	0	0	0	0	108.8	L16 F17 L20 T22 D144 I145 I158 R159 I161 I214	L16-V212 HydrophobicContact CD2-CB 4.26Å; L16-V212 HydrophobicContact CD2-CG2 4.25Å; F17-V212 HydrophobicContact CD1-CG2 4.49Å; F17-V212 HydrophobicContact CE1-CG2 3.71Å; F17-V212 HydrophobicContact CZ-CG2 4.37Å; L20-V212 HydrophobicContact CD1-CG1 3.69Å; T22-V212 HydrophobicContact CG2-CG1 3.97Å; D144-V212 CarbonylContact O-C 3.56Å; D144-V212 WeakPolarHBondContact O-CA 3.06Å; I145-V212 HydrophobicContact CG1-CG2 4.29Å; I158-V212 CarbonylContact C-O 3.57Å; I158-V212 VanDerWaalsContact CA-O 3.27Å; I158-V212 WeakPolarHBondContact CA-O 3.22Å; R159-V212 PolarHBondContact N-O 3.29Å; R159-V212 PolarHBondContact O-N 2.6Å; I161-V212 HydrophobicContact CG2-CG2 3.96Å; V212-I214 PolarHBondContact O-N 3Å
213	V	90.6	Very high	87.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	118.6	177	178.8	0	0	0	0	110.1	G143 D144 I146 A156 I158 T216	G143-V213 PolarHBondContact N-O 3.08Å; D144-V213 HydrophobicContact CB-CG2 4.14Å; D144-V213 WeakPolarHBondContact O-CG2 3.26Å; D144-V213 PolarHBondContact O-N 3.02Å; I146-V213 HydrophobicContact CG2-CG2 3.91Å; A156-V213 HydrophobicContact CB-CG1 3.74Å; A156-V213 HydrophobicContact CB-CG2 4.29Å; I158-V213 HydrophobicContact CG2-CG2 4.07Å; V213-T216 HydrophobicContact CG1-CG2 3.59Å
214	I	89.6	Confident	86.9	Confident	9 Å²	9	31.6 Å²	31.6	5%	0.046	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-36.2	179.2	54.1	168.3	0	0	0	112.5	M8 L16 L20 D157 R159 I197 V212	M8-I214 HydrophobicContact CB-CG2 4.34Å; L16-I214 HydrophobicContact CD1-CG2 4.32Å; L20-I214 HydrophobicContact CD1-CG2 4.49Å; D157-I214 HydrophobicContact CB-CD1 4.23Å; D157-I214 HydrophobicContact CB-CG1 3.87Å; D157-I214 WeakPolarHBondContact O-CG1 3.42Å; D157-I214 PolarHBondContact O-N 2.9Å; R159-I214 HydrophobicContact CB-CG2 3.79Å; I197-I214 HydrophobicContact CD1-CD1 4.31Å; V212-I214 PolarHBondContact O-N 3Å
215	Y	88.5	Confident	86.4	Confident	46 Å²	46	31.6 Å²	31.6	18%	0.18	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.8	178	-59.5	-63	0	0	0	111.6	Q6 A156 D157 R219 T220	Q6-Y215 HydrophobicContact CG-CE2 4.08Å; A156-Y215 WeakPolarHBondContact CB-O 3.22Å; D157-Y215 HydrophobicContact CB-CD2 4.28Å; D157-Y215 PolarHBondContact N-O 3.2Å; D157-Y215 PolarHBondContact O-N 3.03Å; Y215-R219 HydrophobicContact CD1-CB 4.39Å; Y215-T220 WeakPolarHBondContact O-CG2 3.33Å
216	T	88.3	Confident	86.1	Confident	6 Å²	6	26.8 Å²	26.8	4%	0.037	13%	0.131	C	C	.	.			trans	-130.4	152.4	179.6	57.1	0	0	0	0	111.2	N40 T142 V213 R219	N40-T216 HydrophobicContact CB-CG2 4.39Å; N40-T216 WeakPolarHBondContact OD1-CA 3.31Å; N40-T216 WeakPolarHBondContact OD1-CB 3.46Å; T142-T216 HydrophobicContact CG2-CG2 4.19Å; V213-T216 HydrophobicContact CG1-CG2 3.59Å; T216-R219 WeakPolarHBondContact O-CB 3.38Å; T216-R219 PolarHBondContact O-N 3.31Å; T216-R219 PolarHBondContact OG1-NH2 3.41Å
217	G	83.3	Confident	85.8	Confident	4 Å²	4	27.6 Å²	27.6	4%	0.041	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	56.1	-137.2	176.1	0	0	0	0	0	113.7	N40 A41 R219 T220	N40-G217 PolarHBondContact OD1-N 2.97Å; A41-G217 WeakPolarHBondContact O-CA 3.22Å; G217-R219 PolarHBondContact O-N 3.35Å; G217-T220 WeakPolarHBondContact O-CB 3.43Å; G217-T220 WeakPolarHBondContact O-CG2 3.35Å; G217-T220 PolarHBondContact O-N 3.22Å; G217-T220 VanDerWaalsContact O-N 3.1Å; G217-T220 PolarHBondContact O-OG1 3.09Å
218	D	81.1	Confident	85.5	Confident	49 Å²	49	29.4 Å²	29.4	26%	0.262	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-57.4	-20	178.7	-63	-24	0	0	0	114.2	V42 Y43 T220 G223 R224	V42-D218 VanDerWaalsContact CA-OD1 3.31Å; V42-D218 WeakPolarHBondContact CA-OD1 3.33Å; V42-D218 WeakPolarHBondContact CG1-OD1 3.39Å; Y43-D218 WeakPolarHBondContact CD2-OD2 3.22Å; Y43-D218 PolarHBondContact N-OD1 2.97Å; D218-T220 VanDerWaalsContact C-N 3.35Å; D218-G223 CarbonylContact O-C 3.58Å; D218-R224 VanDerWaalsContact O-CG 3.31Å; D218-R224 WeakPolarHBondContact O-CG 3.48Å; D218-R224 PolarHBondContact O-N 3.47Å; D218-R224 VanDerWaalsContact O-N 3.17Å
219	R	85.5	Confident	84.7	Confident	114 Å²	114	26.9 Å²	26.9	43%	0.43	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-79.1	-18.6	-179.9	-65	-177.9	-67.1	179.9	-0.1	113.4	Y215 T216 G217 R224	Y215-R219 HydrophobicContact CD1-CB 4.39Å; T216-R219 WeakPolarHBondContact O-CB 3.38Å; T216-R219 PolarHBondContact O-N 3.31Å; T216-R219 PolarHBondContact OG1-NH2 3.41Å; G217-R219 PolarHBondContact O-N 3.35Å; R219-R224 PolarHBondContact O-NE 2.8Å; R219-R224 PolarHBondContact O-NH2 3.2Å
220	T	87	Confident	84	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-62	157.6	174.4	61.2	0	0	0	0	110.9	D157 F200 Y215 G217 D218 M222 G223 R224	D157-T220 HydrophobicContact CB-CG2 4.47Å; D157-T220 WeakPolarHBondContact OD2-CA 3.3Å; D157-T220 WeakPolarHBondContact OD2-CB 3.32Å; F200-T220 HydrophobicContact CB-CG2 3.93Å; F200-T220 HydrophobicContact CD1-CG2 4.36Å; F200-T220 WeakPolarHBondContact CD1-OG1 3.36Å; F200-T220 HydrophobicContact CG-CG2 4.27Å; Y215-T220 WeakPolarHBondContact O-CG2 3.33Å; G217-T220 WeakPolarHBondContact O-CB 3.43Å; G217-T220 WeakPolarHBondContact O-CG2 3.35Å; G217-T220 PolarHBondContact O-N 3.22Å; G217-T220 VanDerWaalsContact O-N 3.1Å; G217-T220 PolarHBondContact O-OG1 3.09Å; D218-T220 VanDerWaalsContact C-N 3.35Å; T220-M222 PolarHBondContact O-N 2.99Å; T220-G223 PolarHBondContact O-N 3.03Å; T220-G223 WeakPolarHBondContact OG1-CA 3.28Å; T220-G223 PolarHBondContact OG1-N 3.3Å; T220-R224 WeakPolarHBondContact O-CG 3.38Å; T220-R224 PolarHBondContact O-N 3.36Å
221	V	84.6	Confident	83	Confident	11 Å²	11	27.5 Å²	27.5	7%	0.067	14%	0.142	C	C	.	.	H	α-helix	trans	-53.9	-46.1	176.5	175.8	0	0	0	0	110.4	D157 L173 L192 F199 R224 I225	D157-V221 PolarHBondContact OD2-N 3.49Å; L173-V221 HydrophobicContact CD2-CG1 3.77Å; L192-V221 HydrophobicContact CD2-CG1 3.96Å; L192-V221 HydrophobicContact CD2-CG2 4.48Å; F199-V221 HydrophobicContact CD1-CB 4.24Å; F199-V221 HydrophobicContact CD1-CG2 3.86Å; F199-V221 HydrophobicContact CE1-CG2 3.95Å; V221-R224 PolarHBondContact O-N 3.31Å; V221-I225 HydrophobicContact CG1-CD1 4.27Å; V221-I225 WeakPolarHBondContact O-CG1 3.32Å; V221-I225 PolarHBondContact O-N 3.42Å; V221-I225 VanDerWaalsContact O-N 3.13Å
222	M	83	Confident	82.5	Confident	2 Å²	2	29 Å²	29	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-72.5	-36.9	-179	-176.8	62.4	-153.7	0	0	112.6	F116 M119 L173 F200 S201 T220 R224 I225 A226 V674	F116-M222 HydrophobicContact CD1-CE 3.88Å; F116-M222 HydrophobicContact CE1-CE 3.43Å; F116-M222 VanDerWaalsContact CE1-CE 3.43Å; M119-M222 HydrophobicContact CE-CE 3.82Å; L173-M222 HydrophobicContact CD2-CB 4.47Å; L173-M222 HydrophobicContact CD2-SD 4.28Å; F200-M222 HydrophobicContact CB-CB 4.43Å; F200-M222 HydrophobicContact CD1-CB 3.8Å; F200-M222 HydrophobicContact CD1-CG 4.1Å; F200-M222 HydrophobicContact CE1-CG 4.38Å; S201-M222 WeakPolarHBondContact OG-CG 3.14Å; T220-M222 PolarHBondContact O-N 2.99Å; M222-R224 VanDerWaalsContact C-N 3.34Å; M222-R224 PolarHBondContact O-N 3.39Å; M222-I225 PolarHBondContact O-N 3.27Å; M222-A226 WeakPolarHBondContact O-CB 3.3Å; M222-A226 PolarHBondContact O-N 2.83Å; M222-V674 HydrophobicContact CE-CB 4.32Å; M222-V674 HydrophobicContact CE-CG1 3.15Å; M222-V674 HydrophobicContact SD-CG1 4.01Å
223	G	81.1	Confident	81.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-39	172.5	0	0	0	0	0	112.6	D218 T220 A226 H227	D218-G223 CarbonylContact O-C 3.58Å; T220-G223 PolarHBondContact O-N 3.03Å; T220-G223 WeakPolarHBondContact OG1-CA 3.28Å; T220-G223 PolarHBondContact OG1-N 3.3Å; G223-A226 WeakPolarHBondContact O-CB 3.42Å; G223-A226 PolarHBondContact O-N 2.96Å; G223-H227 WeakPolarHBondContact O-CB 3.35Å; G223-H227 PolarHBondContact O-N 3.01Å
224	R	81.9	Confident	80.4	Confident	77 Å²	77	40.2 Å²	40.2	29%	0.291	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-40.6	173.3	-67	177.2	-162.5	-162.1	2.5	111.9	D3 D218 R219 T220 V221 M222 A226 H227 L228	D3-R224 PolarHBondContact O-NH1 3.31Å; D3-R224 VanDerWaalsContact O-NH1 3.08Å; D218-R224 VanDerWaalsContact O-CG 3.31Å; D218-R224 WeakPolarHBondContact O-CG 3.48Å; D218-R224 PolarHBondContact O-N 3.47Å; D218-R224 VanDerWaalsContact O-N 3.17Å; R219-R224 PolarHBondContact O-NE 2.8Å; R219-R224 PolarHBondContact O-NH2 3.2Å; T220-R224 WeakPolarHBondContact O-CG 3.38Å; T220-R224 PolarHBondContact O-N 3.36Å; V221-R224 PolarHBondContact O-N 3.31Å; M222-R224 VanDerWaalsContact C-N 3.34Å; M222-R224 PolarHBondContact O-N 3.39Å; R224-A226 VanDerWaalsContact C-N 3.34Å; R224-H227 PolarHBondContact O-N 2.9Å; R224-L228 WeakPolarHBondContact O-CB 3.48Å; R224-L228 VanDerWaalsContact O-CG 3.23Å; R224-L228 WeakPolarHBondContact O-CG 3.18Å; R224-L228 PolarHBondContact O-N 3.05Å
225	I	79.5	Confident	79.6	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-43.3	174.9	-66.9	165.7	0	0	0	110.2	L173 V221 M222 L228 A229 P650 P678	L173-I225 HydrophobicContact CD2-CD1 3.7Å; V221-I225 HydrophobicContact CG1-CD1 4.27Å; V221-I225 WeakPolarHBondContact O-CG1 3.32Å; V221-I225 PolarHBondContact O-N 3.42Å; V221-I225 VanDerWaalsContact O-N 3.13Å; M222-I225 PolarHBondContact O-N 3.27Å; I225-L228 PolarHBondContact O-N 3.48Å; I225-A229 WeakPolarHBondContact O-CB 3.22Å; I225-A229 PolarHBondContact O-N 3.27Å; I225-P650 HydrophobicContact CD1-CB 4.39Å; I225-P650 HydrophobicContact CD1-CG 3.99Å; I225-P678 HydrophobicContact CG2-CG 4.03Å
226	A	77.2	Confident	79.1	Confident	1 Å²	1	46 Å²	46	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-45.4	176.4	0	0	0	0	0	112	V42 F116 M222 G223 R224 A229 S230	V42-A226 HydrophobicContact CG1-CB 3.91Å; F116-A226 HydrophobicContact CD1-CB 3.52Å; F116-A226 HydrophobicContact CE1-CB 3.32Å; F116-A226 HydrophobicContact CE2-CB 4.38Å; F116-A226 HydrophobicContact CG-CB 4.13Å; F116-A226 HydrophobicContact CZ-CB 3.78Å; M222-A226 WeakPolarHBondContact O-CB 3.3Å; M222-A226 PolarHBondContact O-N 2.83Å; G223-A226 WeakPolarHBondContact O-CB 3.42Å; G223-A226 PolarHBondContact O-N 2.96Å; R224-A226 VanDerWaalsContact C-N 3.34Å; A226-A229 PolarHBondContact O-N 3.23Å; A226-S230 WeakPolarHBondContact O-CB 3.35Å; A226-S230 PolarHBondContact O-N 3.48Å; A226-S230 PolarHBondContact O-OG 2.94Å; A226-S230 VanDerWaalsContact O-OG 3.11Å
227	H	79	Confident	79	Confident	109 Å²	109	47 Å²	47	51%	0.505	26%	0.259	S	S	.	.	H	α-helix	trans	-65.1	-38.6	176.9	-172.7	75	0	0	0	112.5	G223 R224 S230 G231	G223-H227 WeakPolarHBondContact O-CB 3.35Å; G223-H227 PolarHBondContact O-N 3.01Å; R224-H227 PolarHBondContact O-N 2.9Å; H227-S230 PolarHBondContact O-OG 3.19Å; H227-G231 PolarHBondContact O-N 3.04Å
228	L	79.6	Confident	79.3	Confident	66 Å²	66	47 Å²	47	35%	0.346	26%	0.258	S	S	.	.	H	α-helix	trans	-63.3	-48	172.1	-75	167.9	0	0	0	110.7	R224 I225 S230 G231 L232 Q651	R224-L228 WeakPolarHBondContact O-CB 3.48Å; R224-L228 VanDerWaalsContact O-CG 3.23Å; R224-L228 WeakPolarHBondContact O-CG 3.18Å; R224-L228 PolarHBondContact O-N 3.05Å; I225-L228 PolarHBondContact O-N 3.48Å; L228-S230 VanDerWaalsContact C-N 3.33Å; L228-S230 PolarHBondContact O-N 3.31Å; L228-G231 PolarHBondContact O-N 2.99Å; L228-L232 WeakPolarHBondContact O-CD1 3.43Å; L228-L232 WeakPolarHBondContact O-CG 3.2Å; L228-L232 PolarHBondContact O-N 2.94Å; L228-Q651 HydrophobicContact CD1-CG 3.98Å
229	A	75.4	Confident	79.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-34.4	-179.8	0	0	0	0	0	112.9	I225 A226 P678 K681	I225-A229 WeakPolarHBondContact O-CB 3.22Å; I225-A229 PolarHBondContact O-N 3.27Å; A226-A229 PolarHBondContact O-N 3.23Å; A229-P678 HydrophobicContact CB-CG 4.45Å; A229-K681 WeakPolarHBondContact O-CG 3.49Å
230	S	74.1	Confident	79.6	Confident	28 Å²	28	40.3 Å²	40.3	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-82.6	-30.9	178.3	64.9	0	0	0	0	113.7	A226 H227 L228 L232	A226-S230 WeakPolarHBondContact O-CB 3.35Å; A226-S230 PolarHBondContact O-N 3.48Å; A226-S230 PolarHBondContact O-OG 2.94Å; A226-S230 VanDerWaalsContact O-OG 3.11Å; H227-S230 PolarHBondContact O-OG 3.19Å; L228-S230 VanDerWaalsContact C-N 3.33Å; L228-S230 PolarHBondContact O-N 3.31Å; S230-L232 VanDerWaalsContact C-N 3.34Å
231	G	72.4	Confident	79.6	Confident	53 Å²	53	44.8 Å²	44.8	55%	0.546	25%	0.254	S	S	.	.	H	α-helix	trans	-81.2	-10.1	179.8	0	0	0	0	0	114.5	H227 L228 E233	H227-G231 PolarHBondContact O-N 3.04Å; L228-G231 PolarHBondContact O-N 2.99Å; G231-E233 PolarHBondContact O-N 3.36Å
232	L	78.9	Confident	79.8	Confident	32 Å²	32	44.4 Å²	44.4	17%	0.168	25%	0.251	C	S	.	.	S	Bend	trans	-76	117.1	174.1	-73.7	164.4	0	0	0	110.2	L228 S230 S234 L654 P678 K681 Q682	L228-L232 WeakPolarHBondContact O-CD1 3.43Å; L228-L232 WeakPolarHBondContact O-CG 3.2Å; L228-L232 PolarHBondContact O-N 2.94Å; S230-L232 VanDerWaalsContact C-N 3.34Å; L232-S234 PolarHBondContact O-N 3.4Å; L232-L654 HydrophobicContact CD1-CD1 3.83Å; L232-L654 HydrophobicContact CD1-CD2 4.07Å; L232-L654 HydrophobicContact CD2-CD1 4.36Å; L232-L654 HydrophobicContact CD2-CD2 4.35Å; L232-P678 HydrophobicContact CD1-CB 4.13Å; L232-K681 HydrophobicContact CB-CG 4.14Å; L232-Q682 HydrophobicContact CD1-CB 4.43Å
233	E	70.8	Confident	79.9	Confident	174 Å²	174	45.4 Å²	45.4	81%	0.813	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-67.9	125.9	169.3	-67.6	-176.7	173.2	0	0	109.2	G231 G235	G231-E233 PolarHBondContact O-N 3.36Å; E233-G235 PolarHBondContact O-N 2.84Å
234	S	67.9	Low	80	Confident	61 Å²	61	46.6 Å²	46.6	43%	0.427	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-65.9	120.6	167.9	-68.6	0	0	0	0	108.1	L232 K681	L232-S234 PolarHBondContact O-N 3.4Å; S234-K681 WeakPolarHBondContact OG-CE 3.39Å; S234-K681 PolarHBondContact OG-NZ 2.67Å
235	G	72	Confident	80.1	Confident	58 Å²	58	46.8 Å²	46.8	60%	0.598	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-63	160	174.6	0	0	0	0	0	111.8	E233 T237	E233-G235 PolarHBondContact O-N 2.84Å; G235-T237 PolarHBondContact O-N 2.75Å
236	E	78.9	Confident	80.4	Confident	119 Å²	119	47 Å²	47	56%	0.556	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-59.5	128.9	173.5	-71	176.3	175.5	0	0	111.1	K241	E236-K241 HydrophobicContact CB-CD 4.43Å; E236-K241 HydrophobicContact CB-CG 3.93Å; E236-K241 WeakPolarHBondContact O-CE 3.03Å; E236-K241 PolarHBondContact O-NZ 3.39Å; E236-K241 WeakPolarHBondContact OE2-CG 3.47Å
237	T	86.5	Confident	80.6	Confident	25 Å²	25	49.8 Å²	49.8	15%	0.153	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-63.3	155.8	177.7	69.1	0	0	0	0	111.1	G235 I239 A240 K241 E317	G235-T237 PolarHBondContact O-N 2.75Å; T237-I239 VanDerWaalsContact C-N 3.3Å; T237-I239 PolarHBondContact O-N 3.13Å; T237-I239 WeakPolarHBondContact OG1-CG2 3.42Å; T237-A240 PolarHBondContact O-N 2.63Å; T237-A240 VanDerWaalsContact OG1-CB 3.23Å; T237-A240 WeakPolarHBondContact OG1-CB 3.42Å; T237-A240 PolarHBondContact OG1-N 3.49Å; T237-A240 VanDerWaalsContact OG1-N 3.11Å; T237-K241 WeakPolarHBondContact O-CG 3.35Å; T237-K241 PolarHBondContact O-N 2.9Å; T237-E317 HydrophobicContact CG2-CB 3.99Å; T237-E317 VanDerWaalsContact CG2-OE2 3.3Å; T237-E317 WeakPolarHBondContact CG2-OE2 3.22Å; T237-E317 PolarHBondContact OG1-OE2 2.81Å
238	P	88.3	Confident	80.8	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.032	29%	0.292	C	S	.	.	H	α-helix	trans	-55.6	-42.8	175.9	-27.5	36.8	0	0	0	112.8	K241 E242 T321 I666	P238-K241 PolarHBondContact O-N 3.46Å; P238-E242 VanDerWaalsContact O-CG 3.27Å; P238-E242 WeakPolarHBondContact O-CG 3.45Å; P238-E242 PolarHBondContact O-N 2.91Å; P238-T321 WeakPolarHBondContact CD-OG1 3.37Å; P238-T321 HydrophobicContact CG-CG2 3.98Å; P238-I666 HydrophobicContact CG-CD1 3.96Å; P238-I666 HydrophobicContact CG-CG1 4.35Å; P238-I666 HydrophobicContact CG-CG2 4.07Å
239	I	88.4	Confident	81	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-38.7	177.7	-170.8	60	0	0	0	112.4	T237 K241 E242 L243 E317 E320 L727 L799	T237-I239 VanDerWaalsContact C-N 3.3Å; T237-I239 PolarHBondContact O-N 3.13Å; T237-I239 WeakPolarHBondContact OG1-CG2 3.42Å; I239-K241 PolarHBondContact O-N 3.45Å; I239-E242 PolarHBondContact O-N 3.42Å; I239-L243 HydrophobicContact CG1-CD1 4.24Å; I239-L243 HydrophobicContact CG1-CG 4.44Å; I239-L243 WeakPolarHBondContact O-CB 3.4Å; I239-L243 WeakPolarHBondContact O-CG 3.06Å; I239-L243 PolarHBondContact O-N 2.82Å; I239-E317 HydrophobicContact CG2-CB 3.5Å; I239-E317 VanDerWaalsContact CG2-CB 3.5Å; I239-E317 HydrophobicContact CG2-CG 3.73Å; I239-E320 HydrophobicContact CB-CB 4.15Å; I239-E320 HydrophobicContact CB-CG 4.21Å; I239-E320 WeakPolarHBondContact CB-OE2 3.35Å; I239-E320 HydrophobicContact CD1-CG 4.31Å; I239-E320 HydrophobicContact CG2-CB 4.5Å; I239-E320 PolarHBondContact N-OE2 3.24Å; I239-L727 HydrophobicContact CD1-CD1 4.09Å; I239-L799 HydrophobicContact CD1-CD2 3.94Å
240	A	85.4	Confident	81.4	Confident	23 Å²	23	51.2 Å²	51.2	19%	0.19	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-43.4	175	0	0	0	0	0	111.4	T237 E242 L243 A244	T237-A240 PolarHBondContact O-N 2.63Å; T237-A240 VanDerWaalsContact OG1-CB 3.23Å; T237-A240 WeakPolarHBondContact OG1-CB 3.42Å; T237-A240 PolarHBondContact OG1-N 3.49Å; T237-A240 VanDerWaalsContact OG1-N 3.11Å; A240-E242 VanDerWaalsContact C-N 3.31Å; A240-E242 PolarHBondContact O-N 2.93Å; A240-L243 PolarHBondContact O-N 3.41Å; A240-A244 WeakPolarHBondContact O-CB 3.27Å; A240-A244 PolarHBondContact O-N 2.7Å
241	K	87.5	Confident	81.8	Confident	94 Å²	94	53 Å²	53	41%	0.409	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-40.9	173.9	-71.8	172.1	-177.2	153	0	112.3	E236 T237 P238 I239 H245	E236-K241 HydrophobicContact CB-CD 4.43Å; E236-K241 HydrophobicContact CB-CG 3.93Å; E236-K241 WeakPolarHBondContact O-CE 3.03Å; E236-K241 PolarHBondContact O-NZ 3.39Å; E236-K241 WeakPolarHBondContact OE2-CG 3.47Å; T237-K241 WeakPolarHBondContact O-CG 3.35Å; T237-K241 PolarHBondContact O-N 2.9Å; P238-K241 PolarHBondContact O-N 3.46Å; I239-K241 PolarHBondContact O-N 3.45Å; K241-H245 WeakPolarHBondContact O-CB 3.37Å; K241-H245 PolarHBondContact O-N 2.95Å
242	E	88.5	Confident	82.4	Confident	3 Å²	3	52.5 Å²	52.5	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-41.5	177.1	-69.4	-57.4	138.2	0	0	112.1	P238 I239 A240 H245 F246 R792 K798 L799	P238-E242 VanDerWaalsContact O-CG 3.27Å; P238-E242 WeakPolarHBondContact O-CG 3.45Å; P238-E242 PolarHBondContact O-N 2.91Å; I239-E242 PolarHBondContact O-N 3.42Å; A240-E242 VanDerWaalsContact C-N 3.31Å; A240-E242 PolarHBondContact O-N 2.93Å; E242-H245 PolarHBondContact O-N 3.5Å; E242-F246 WeakPolarHBondContact O-CB 3.36Å; E242-F246 PolarHBondContact O-N 2.76Å; E242-R792 IonicContact OE1-NH1 3.81Å; E242-K798 WeakPolarHBondContact OE1-CD 3.26Å; E242-K798 IonicContact OE1-NZ 3.72Å; E242-K798 PolarHBondContact OE1-NZ 3.07Å; E242-K798 VanDerWaalsContact OE2-CA 3.26Å; E242-K798 WeakPolarHBondContact OE2-CA 3.32Å; E242-K798 VanDerWaalsContact OE2-CD 3.23Å; E242-K798 WeakPolarHBondContact OE2-CD 3.37Å; E242-L799 HydrophobicContact CB-CB 3.83Å; E242-L799 HydrophobicContact CB-CD2 4.29Å; E242-L799 HydrophobicContact CG-CB 4.16Å; E242-L799 PolarHBondContact OE2-N 3.35Å
243	L	84.6	Confident	82.7	Confident	23 Å²	23	53.1 Å²	53.1	12%	0.12	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-42.9	175	-73.4	171.4	0	0	0	111.6	I239 A240 F246 I247 V295	I239-L243 HydrophobicContact CG1-CD1 4.24Å; I239-L243 HydrophobicContact CG1-CG 4.44Å; I239-L243 WeakPolarHBondContact O-CB 3.4Å; I239-L243 WeakPolarHBondContact O-CG 3.06Å; I239-L243 PolarHBondContact O-N 2.82Å; A240-L243 PolarHBondContact O-N 3.41Å; L243-F246 WeakPolarHBondContact O-CB 3.45Å; L243-F246 PolarHBondContact O-N 3.04Å; L243-I247 WeakPolarHBondContact O-CB 3.21Å; L243-I247 WeakPolarHBondContact O-CD1 3.48Å; L243-I247 VanDerWaalsContact O-CG1 3.23Å; L243-I247 WeakPolarHBondContact O-CG1 3.24Å; L243-I247 PolarHBondContact O-N 3.2Å; L243-V295 HydrophobicContact CD1-CG1 4.25Å; L243-V295 HydrophobicContact CD2-CG1 4.27Å; L243-V295 HydrophobicContact CD2-CG2 4.31Å
244	A	83.4	Confident	83.3	Confident	25 Å²	25	45 Å²	45	21%	0.207	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-44	175.8	0	0	0	0	0	111.8	A240 F246 I247 H248	A240-A244 WeakPolarHBondContact O-CB 3.27Å; A240-A244 PolarHBondContact O-N 2.7Å; A244-F246 VanDerWaalsContact C-N 3.32Å; A244-F246 PolarHBondContact O-N 3.05Å; A244-I247 PolarHBondContact O-N 3.39Å; A244-H248 WeakPolarHBondContact O-CB 3.45Å; A244-H248 VanDerWaalsContact O-CG 3.26Å; A244-H248 PolarHBondContact O-N 3.1Å
245	H	85.1	Confident	84.2	Confident	80 Å²	80	45 Å²	45	37%	0.37	26%	0.262	S	S	.	.	H	α-helix	trans	-57.9	-46.5	174.2	177.5	65	0	0	0	111.7	K241 E242 H248 L249	K241-H245 WeakPolarHBondContact O-CB 3.37Å; K241-H245 PolarHBondContact O-N 2.95Å; E242-H245 PolarHBondContact O-N 3.5Å; H245-H248 PolarHBondContact O-N 3.15Å; H245-L249 WeakPolarHBondContact O-CB 3.48Å; H245-L249 PolarHBondContact O-N 3.21Å
246	F	84.1	Confident	85	Confident	7 Å²	7	48.8 Å²	48.8	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-48.6	176.5	162.3	-106.6	0	0	0	112.4	E242 L243 A244 H248 L249 I250 P288 L291 I731 L735 V800	E242-F246 WeakPolarHBondContact O-CB 3.36Å; E242-F246 PolarHBondContact O-N 2.76Å; L243-F246 WeakPolarHBondContact O-CB 3.45Å; L243-F246 PolarHBondContact O-N 3.04Å; A244-F246 VanDerWaalsContact C-N 3.32Å; A244-F246 PolarHBondContact O-N 3.05Å; F246-H248 VanDerWaalsContact C-N 3.32Å; F246-H248 PolarHBondContact O-N 2.98Å; F246-L249 WeakPolarHBondContact O-CB 3.46Å; F246-L249 PolarHBondContact O-N 2.56Å; F246-L249 VanDerWaalsContact O-N 3.13Å; F246-I250 HydrophobicContact CD2-CG1 3.81Å; F246-I250 HydrophobicContact CE1-CG1 4.45Å; F246-I250 HydrophobicContact CE2-CD1 3.82Å; F246-I250 HydrophobicContact CE2-CG1 3.22Å; F246-I250 HydrophobicContact CZ-CD1 4.44Å; F246-I250 HydrophobicContact CZ-CG1 3.58Å; F246-I250 PolarHBondContact O-N 2.74Å; F246-P288 HydrophobicContact CZ-CG 4.24Å; F246-L291 HydrophobicContact CD1-CD2 4.41Å; F246-L291 HydrophobicContact CE1-CD2 3.31Å; F246-L291 HydrophobicContact CE2-CD2 4.23Å; F246-L291 HydrophobicContact CZ-CD2 3.18Å; F246-I731 HydrophobicContact CE2-CG2 4.46Å; F246-L735 HydrophobicContact CE2-CD1 3.97Å; F246-L735 HydrophobicContact CE2-CD2 4.05Å; F246-L735 HydrophobicContact CE2-CG 4.48Å; F246-L735 HydrophobicContact CZ-CD2 4.2Å; F246-V800 HydrophobicContact CB-CB 4.43Å; F246-V800 HydrophobicContact CB-CG2 4.21Å; F246-V800 HydrophobicContact CD2-CB 3.97Å; F246-V800 HydrophobicContact CD2-CG1 4.08Å; F246-V800 HydrophobicContact CD2-CG2 3.53Å; F246-V800 HydrophobicContact CE2-CG2 4.21Å; F246-V800 HydrophobicContact CG-CG2 4.05Å
247	I	82.2	Confident	85.4	Confident	60 Å²	60	45 Å²	45	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-59.7	-43.6	178.8	-70.7	162	0	0	0	110.6	L243 A244 L249 T251 L292	L243-I247 WeakPolarHBondContact O-CB 3.21Å; L243-I247 WeakPolarHBondContact O-CD1 3.48Å; L243-I247 VanDerWaalsContact O-CG1 3.23Å; L243-I247 WeakPolarHBondContact O-CG1 3.24Å; L243-I247 PolarHBondContact O-N 3.2Å; A244-I247 PolarHBondContact O-N 3.39Å; I247-L249 VanDerWaalsContact C-N 3.33Å; I247-L249 PolarHBondContact O-N 3.26Å; I247-T251 WeakPolarHBondContact O-CB 3.41Å; I247-T251 PolarHBondContact O-N 2.89Å; I247-T251 PolarHBondContact O-OG1 2.82Å; I247-L292 HydrophobicContact CD1-CD2 4.35Å
248	H	82.6	Confident	85.4	Confident	138 Å²	138	43.8 Å²	43.8	64%	0.639	24%	0.237	S	C	*	.	H	α-helix	trans	-62.1	-40.2	176.4	-70.3	165.2	0	0	0	112.3	A244 H245 F246 G252	A244-H248 WeakPolarHBondContact O-CB 3.45Å; A244-H248 VanDerWaalsContact O-CG 3.26Å; A244-H248 PolarHBondContact O-N 3.1Å; H245-H248 PolarHBondContact O-N 3.15Å; F246-H248 VanDerWaalsContact C-N 3.32Å; F246-H248 PolarHBondContact O-N 2.98Å; H248-G252 PolarHBondContact O-N 2.87Å
249	L	85.2	Confident	85.4	Confident	60 Å²	60	46.8 Å²	46.8	31%	0.314	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-50	178.9	-174.3	60.9	0	0	0	111.6	H245 F246 I247 G252 V253 V800 I805	H245-L249 WeakPolarHBondContact O-CB 3.48Å; H245-L249 PolarHBondContact O-N 3.21Å; F246-L249 WeakPolarHBondContact O-CB 3.46Å; F246-L249 PolarHBondContact O-N 2.56Å; F246-L249 VanDerWaalsContact O-N 3.13Å; I247-L249 VanDerWaalsContact C-N 3.33Å; I247-L249 PolarHBondContact O-N 3.26Å; L249-G252 PolarHBondContact O-N 3.44Å; L249-V253 WeakPolarHBondContact O-CG2 3.19Å; L249-V253 PolarHBondContact O-N 2.85Å; L249-V800 HydrophobicContact CD2-CG1 4.43Å; L249-I805 HydrophobicContact CD2-CD1 3.32Å; L249-I805 HydrophobicContact CG-CD1 3.96Å
250	I	83.2	Confident	85.5	Confident	7 Å²	7	49 Å²	49	4%	0.036	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-43.7	178	-65.1	-56.8	0	0	0	111.4	F246 G252 V253 A254 N286 L735	F246-I250 HydrophobicContact CD2-CG1 3.81Å; F246-I250 HydrophobicContact CE1-CG1 4.45Å; F246-I250 HydrophobicContact CE2-CD1 3.82Å; F246-I250 HydrophobicContact CE2-CG1 3.22Å; F246-I250 HydrophobicContact CZ-CD1 4.44Å; F246-I250 HydrophobicContact CZ-CG1 3.58Å; F246-I250 PolarHBondContact O-N 2.74Å; I250-G252 VanDerWaalsContact C-N 3.28Å; I250-G252 PolarHBondContact O-N 3.5Å; I250-V253 PolarHBondContact O-N 2.98Å; I250-A254 VanDerWaalsContact O-CB 3.32Å; I250-A254 WeakPolarHBondContact O-CB 3.45Å; I250-A254 PolarHBondContact O-N 2.95Å; I250-N286 VanDerWaalsContact CG2-O 3.26Å; I250-N286 WeakPolarHBondContact CG2-O 3.41Å; I250-L735 HydrophobicContact CD1-CD2 3.96Å
251	T	81.4	Confident	85.6	Confident	66 Å²	66	49 Å²	49	41%	0.405	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-40.5	176	-57.1	0	0	0	0	110.9	I247 A254 V255	I247-T251 WeakPolarHBondContact O-CB 3.41Å; I247-T251 PolarHBondContact O-N 2.89Å; I247-T251 PolarHBondContact O-OG1 2.82Å; T251-A254 PolarHBondContact O-N 3.14Å; T251-V255 HydrophobicContact CG2-CG2 4.21Å; T251-V255 WeakPolarHBondContact O-CB 3.48Å; T251-V255 VanDerWaalsContact O-CG2 3.29Å; T251-V255 WeakPolarHBondContact O-CG2 3.22Å; T251-V255 PolarHBondContact O-N 2.82Å
252	G	85.2	Confident	85.6	Confident	42 Å²	42	47 Å²	47	43%	0.433	26%	0.256	S	S	.	.	H	α-helix	trans	-58.5	-47.2	174.7	0	0	0	0	0	112.4	H248 L249 I250 F256	H248-G252 PolarHBondContact O-N 2.87Å; L249-G252 PolarHBondContact O-N 3.44Å; I250-G252 VanDerWaalsContact C-N 3.28Å; I250-G252 PolarHBondContact O-N 3.5Å; G252-F256 WeakPolarHBondContact O-CB 3.4Å; G252-F256 PolarHBondContact O-N 2.93Å
253	V	86	Confident	85.8	Confident	46 Å²	46	51.8 Å²	51.8	28%	0.279	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-44.9	176.2	175.6	0	0	0	0	111.4	L249 I250 V255 F256 L257	L249-V253 WeakPolarHBondContact O-CG2 3.19Å; L249-V253 PolarHBondContact O-N 2.85Å; I250-V253 PolarHBondContact O-N 2.98Å; V253-V255 PolarHBondContact O-N 3.15Å; V253-F256 PolarHBondContact O-N 3.29Å; V253-L257 HydrophobicContact CG1-CD1 3.86Å; V253-L257 HydrophobicContact CG1-CG 4.28Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 WeakPolarHBondContact O-CG 3.47Å; V253-L257 PolarHBondContact O-N 3.34Å
254	A	83.9	Confident	86	Confident	2 Å²	2	53.4 Å²	53.4	2%	0.017	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-47.3	179.8	0	0	0	0	0	112.1	I250 T251 G258 N286	I250-A254 VanDerWaalsContact O-CB 3.32Å; I250-A254 WeakPolarHBondContact O-CB 3.45Å; I250-A254 PolarHBondContact O-N 2.95Å; T251-A254 PolarHBondContact O-N 3.14Å; A254-G258 PolarHBondContact O-N 2.98Å; A254-N286 HydrophobicContact CB-CB 3.51Å
255	V	85.3	Confident	86.1	Confident	63 Å²	63	52.2 Å²	52.2	38%	0.382	28%	0.28	S	S	.	.	H	α-helix	trans	-68.3	-42.1	177.7	172.9	0	0	0	0	110.7	T251 V253 G258 V259	T251-V255 HydrophobicContact CG2-CG2 4.21Å; T251-V255 WeakPolarHBondContact O-CB 3.48Å; T251-V255 VanDerWaalsContact O-CG2 3.29Å; T251-V255 WeakPolarHBondContact O-CG2 3.22Å; T251-V255 PolarHBondContact O-N 2.82Å; V253-V255 PolarHBondContact O-N 3.15Å; V255-G258 PolarHBondContact O-N 3.09Å; V255-V259 HydrophobicContact CG1-CG2 4.09Å; V255-V259 WeakPolarHBondContact O-CB 3.44Å; V255-V259 VanDerWaalsContact O-CG2 3.3Å; V255-V259 WeakPolarHBondContact O-CG2 3.41Å; V255-V259 PolarHBondContact O-N 2.93Å
256	F	89.4	Confident	86.4	Confident	136 Å²	136	52.1 Å²	52.1	60%	0.596	28%	0.281	S	S	*	.	H	α-helix	trans	-60	-51.3	177.9	173.5	-102.6	0	0	0	111.7	G252 V253 T260	G252-F256 WeakPolarHBondContact O-CB 3.4Å; G252-F256 PolarHBondContact O-N 2.93Å; V253-F256 PolarHBondContact O-N 3.29Å; F256-T260 WeakPolarHBondContact O-CB 3.3Å; F256-T260 PolarHBondContact O-N 2.87Å; F256-T260 PolarHBondContact O-OG1 2.67Å
257	L	87.6	Confident	86.6	Confident	39 Å²	39	55.9 Å²	55.9	20%	0.204	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-48.6	176.6	-68.5	177.9	0	0	0	110.5	V253 V259 T260 F261 I282	V253-L257 HydrophobicContact CG1-CD1 3.86Å; V253-L257 HydrophobicContact CG1-CG 4.28Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 WeakPolarHBondContact O-CG 3.47Å; V253-L257 PolarHBondContact O-N 3.34Å; L257-V259 PolarHBondContact O-N 2.61Å; L257-T260 PolarHBondContact O-N 3.44Å; L257-F261 HydrophobicContact CD2-CE2 4.24Å; L257-F261 WeakPolarHBondContact O-CB 3.4Å; L257-F261 VanDerWaalsContact O-CD2 3.27Å; L257-F261 WeakPolarHBondContact O-CD2 3.45Å; L257-F261 PolarHBondContact O-N 3.38Å; L257-I282 HydrophobicContact CB-CG2 4.03Å
258	G	86.1	Confident	86.8	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-54.4	-52	179.5	0	0	0	0	0	113.1	A254 V255 F262 L279	A254-G258 PolarHBondContact O-N 2.98Å; V255-G258 PolarHBondContact O-N 3.09Å; G258-F262 VanDerWaalsContact O-CB 3.25Å; G258-F262 WeakPolarHBondContact O-CB 3.4Å; G258-F262 PolarHBondContact O-N 2.67Å; G258-L279 VanDerWaalsContact O-CD1 3.32Å; G258-L279 WeakPolarHBondContact O-CD1 3.49Å
259	V	88.7	Confident	86.9	Confident	68 Å²	68	53.6 Å²	53.6	41%	0.412	32%	0.321	S	S	.	.	H	α-helix	trans	-68	-41.4	-179.5	173.9	0	0	0	0	111.6	V255 L257 F261 F262 I263	V255-V259 HydrophobicContact CG1-CG2 4.09Å; V255-V259 WeakPolarHBondContact O-CB 3.44Å; V255-V259 VanDerWaalsContact O-CG2 3.3Å; V255-V259 WeakPolarHBondContact O-CG2 3.41Å; V255-V259 PolarHBondContact O-N 2.93Å; L257-V259 PolarHBondContact O-N 2.61Å; V259-F261 PolarHBondContact O-N 3.06Å; V259-F262 WeakPolarHBondContact O-CB 3.36Å; V259-F262 PolarHBondContact O-N 2.9Å; V259-I263 HydrophobicContact CG1-CD1 3.99Å; V259-I263 WeakPolarHBondContact O-CG1 3.33Å; V259-I263 PolarHBondContact O-N 3.16Å
260	T	90.7	Very high	86.8	Confident	47 Å²	47	51.7 Å²	51.7	29%	0.288	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-48.9	178.6	-60.9	0	0	0	0	110.6	F256 L257 I263 I264	F256-T260 WeakPolarHBondContact O-CB 3.3Å; F256-T260 PolarHBondContact O-N 2.87Å; F256-T260 PolarHBondContact O-OG1 2.67Å; L257-T260 PolarHBondContact O-N 3.44Å; T260-I263 PolarHBondContact O-N 3.34Å; T260-I264 HydrophobicContact CG2-CD1 3.92Å; T260-I264 VanDerWaalsContact O-CG1 3.3Å; T260-I264 WeakPolarHBondContact O-CG1 3.45Å; T260-I264 PolarHBondContact O-N 3.46Å
261	F	87.5	Confident	86.8	Confident	22 Å²	22	58 Å²	58	10%	0.096	33%	0.334	C	S	.	.	H	α-helix	trans	-72.3	-28.9	178.9	-80.7	-80.2	0	0	0	113.1	L257 V259 I264 S265 I282 L746 M749 L750	L257-F261 HydrophobicContact CD2-CE2 4.24Å; L257-F261 WeakPolarHBondContact O-CB 3.4Å; L257-F261 VanDerWaalsContact O-CD2 3.27Å; L257-F261 WeakPolarHBondContact O-CD2 3.45Å; L257-F261 PolarHBondContact O-N 3.38Å; V259-F261 PolarHBondContact O-N 3.06Å; F261-I264 HydrophobicContact CD1-CD1 4.3Å; F261-I264 HydrophobicContact CE1-CD1 4.38Å; F261-I264 PolarHBondContact O-N 3.39Å; F261-S265 VanDerWaalsContact O-CB 3.28Å; F261-S265 WeakPolarHBondContact O-CB 3.38Å; F261-S265 PolarHBondContact O-N 3.3Å; F261-S265 PolarHBondContact O-OG 3.05Å; F261-I282 HydrophobicContact CB-CD1 3.45Å; F261-I282 VanDerWaalsContact CB-CD1 3.45Å; F261-I282 HydrophobicContact CD2-CD1 4.42Å; F261-I282 HydrophobicContact CG-CD1 4.04Å; F261-L746 HydrophobicContact CD1-CD2 3.91Å; F261-L746 HydrophobicContact CD2-CD2 3.6Å; F261-L746 HydrophobicContact CE1-CB 4.45Å; F261-L746 HydrophobicContact CE1-CD2 3.71Å; F261-L746 HydrophobicContact CE2-CD1 4.08Å; F261-L746 HydrophobicContact CE2-CD2 3.4Å; F261-L746 HydrophobicContact CE2-CG 4.32Å; F261-L746 HydrophobicContact CG-CD2 3.87Å; F261-L746 HydrophobicContact CZ-CB 4.39Å; F261-L746 HydrophobicContact CZ-CD1 3.96Å; F261-L746 HydrophobicContact CZ-CD2 3.46Å; F261-L746 VanDerWaalsContact CZ-CD2 3.46Å; F261-L746 HydrophobicContact CZ-CG 4.12Å; F261-M749 HydrophobicContact CB-CE 3.84Å; F261-M749 HydrophobicContact CB-SD 4.26Å; F261-M749 HydrophobicContact CD1-CE 3.49Å; F261-M749 VanDerWaalsContact CD1-CE 3.49Å; F261-M749 HydrophobicContact CD1-SD 4.35Å; F261-M749 HydrophobicContact CE1-CE 4.29Å; F261-M749 HydrophobicContact CG-CE 3.8Å; F261-L750 HydrophobicContact CE1-CD1 3.99Å; F261-L750 HydrophobicContact CE1-CD2 4.08Å; F261-L750 HydrophobicContact CE1-CG 4.01Å; F261-L750 HydrophobicContact CZ-CD1 4.42Å
262	F	87.4	Confident	86.9	Confident	53 Å²	53	60.9 Å²	60.9	23%	0.232	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-48	168.6	179.4	-100.2	0	0	0	111.3	G258 V259 S265 L266 A275 V276 L279	G258-F262 VanDerWaalsContact O-CB 3.25Å; G258-F262 WeakPolarHBondContact O-CB 3.4Å; G258-F262 PolarHBondContact O-N 2.67Å; V259-F262 WeakPolarHBondContact O-CB 3.36Å; V259-F262 PolarHBondContact O-N 2.9Å; F262-S265 PolarHBondContact O-N 3.12Å; F262-S265 PolarHBondContact O-OG 2.95Å; F262-L266 HydrophobicContact CD1-CD1 4.12Å; F262-L266 HydrophobicContact CE1-CD1 3.53Å; F262-L266 HydrophobicContact CE1-CG 4.37Å; F262-L266 HydrophobicContact CZ-CD1 3.8Å; F262-L266 HydrophobicContact CZ-CG 4.37Å; F262-L266 PolarHBondContact O-N 3Å; F262-A275 HydrophobicContact CD2-CB 3.74Å; F262-A275 WeakPolarHBondContact CD2-O 3.36Å; F262-A275 HydrophobicContact CE2-CB 3.6Å; F262-V276 HydrophobicContact CE2-CG2 3.84Å; F262-V276 HydrophobicContact CZ-CG2 4.49Å; F262-L279 HydrophobicContact CB-CB 4.42Å; F262-L279 HydrophobicContact CB-CD1 4.45Å; F262-L279 HydrophobicContact CD2-CB 4.15Å; F262-L279 HydrophobicContact CD2-CD2 4.32Å
263	I	91.4	Very high	86.5	Confident	103 Å²	103	60.1 Å²	60.1	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-63	-45.5	176.8	-65.9	166.2	0	0	0	110.9	V259 T260 S265 L266 A267	V259-I263 HydrophobicContact CG1-CD1 3.99Å; V259-I263 WeakPolarHBondContact O-CG1 3.33Å; V259-I263 PolarHBondContact O-N 3.16Å; T260-I263 PolarHBondContact O-N 3.34Å; I263-S265 VanDerWaalsContact C-N 3.31Å; I263-S265 PolarHBondContact O-N 3.02Å; I263-L266 PolarHBondContact O-N 2.81Å; I263-A267 WeakPolarHBondContact O-CB 3.37Å; I263-A267 PolarHBondContact O-N 3.01Å
264	I	89.3	Confident	86.1	Confident	57 Å²	57	60.1 Å²	60.1	29%	0.292	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-43.8	176.9	-68.3	167.1	0	0	0	110.4	T260 F261 L266 A267 M268 L750	T260-I264 HydrophobicContact CG2-CD1 3.92Å; T260-I264 VanDerWaalsContact O-CG1 3.3Å; T260-I264 WeakPolarHBondContact O-CG1 3.45Å; T260-I264 PolarHBondContact O-N 3.46Å; F261-I264 HydrophobicContact CD1-CD1 4.3Å; F261-I264 HydrophobicContact CE1-CD1 4.38Å; F261-I264 PolarHBondContact O-N 3.39Å; I264-L266 PolarHBondContact O-N 2.97Å; I264-A267 CarbonylContact O-C 3.34Å; I264-A267 WeakPolarHBondContact O-CB 3.4Å; I264-A267 PolarHBondContact O-N 2.87Å; I264-A267 VanDerWaalsContact O-N 3.15Å; I264-M268 HydrophobicContact CG2-CG 4.2Å; I264-M268 HydrophobicContact CG2-SD 3.75Å; I264-M268 WeakPolarHBondContact O-CB 3.34Å; I264-M268 WeakPolarHBondContact O-CG 3.27Å; I264-M268 PolarHBondContact O-N 3.49Å; I264-L750 HydrophobicContact CG2-CD2 4.39Å
265	S	86.8	Confident	86	Confident	1 Å²	1	60 Å²	60	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-42.2	179.1	74.5	0	0	0	0	112	F261 F262 I263 A267 M268 G269 Y270 A275	F261-S265 VanDerWaalsContact O-CB 3.28Å; F261-S265 WeakPolarHBondContact O-CB 3.38Å; F261-S265 PolarHBondContact O-N 3.3Å; F261-S265 PolarHBondContact O-OG 3.05Å; F262-S265 PolarHBondContact O-N 3.12Å; F262-S265 PolarHBondContact O-OG 2.95Å; I263-S265 VanDerWaalsContact C-N 3.31Å; I263-S265 PolarHBondContact O-N 3.02Å; S265-A267 VanDerWaalsContact C-N 3.34Å; S265-A267 PolarHBondContact O-N 3.06Å; S265-M268 PolarHBondContact O-N 2.86Å; S265-G269 PolarHBondContact O-N 3.18Å; S265-Y270 VanDerWaalsContact O-CB 3.29Å; S265-Y270 WeakPolarHBondContact O-CB 3.36Å; S265-Y270 WeakPolarHBondContact O-CD2 3.47Å; S265-Y270 PolarHBondContact O-N 3.35Å; S265-A275 WeakPolarHBondContact OG-CB 3.49Å
266	L	89.4	Confident	85.8	Confident	77 Å²	77	58.7 Å²	58.7	40%	0.403	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-40.9	174	-68.9	178.4	0	0	0	111.5	F262 I263 I264 M268 G269 W272 A275	F262-L266 HydrophobicContact CD1-CD1 4.12Å; F262-L266 HydrophobicContact CE1-CD1 3.53Å; F262-L266 HydrophobicContact CE1-CG 4.37Å; F262-L266 HydrophobicContact CZ-CD1 3.8Å; F262-L266 HydrophobicContact CZ-CG 4.37Å; F262-L266 PolarHBondContact O-N 3Å; I263-L266 PolarHBondContact O-N 2.81Å; I264-L266 PolarHBondContact O-N 2.97Å; L266-M268 VanDerWaalsContact C-N 3.31Å; L266-M268 PolarHBondContact O-N 2.85Å; L266-G269 PolarHBondContact O-N 2.84Å; L266-G269 VanDerWaalsContact O-N 3.14Å; L266-W272 HydrophobicContact CD2-CB 4.17Å; L266-A275 HydrophobicContact CD2-CB 3.99Å; L266-A275 HydrophobicContact CG-CB 4.33Å
267	A	90.1	Very high	85.1	Confident	87 Å²	87	54.5 Å²	54.5	72%	0.719	30%	0.299	S	S	*	.	H	α-helix	trans	-66.1	-32.2	177.5	0	0	0	0	0	112.9	I263 I264 S265 G269	I263-A267 WeakPolarHBondContact O-CB 3.37Å; I263-A267 PolarHBondContact O-N 3.01Å; I264-A267 CarbonylContact O-C 3.34Å; I264-A267 WeakPolarHBondContact O-CB 3.4Å; I264-A267 PolarHBondContact O-N 2.87Å; I264-A267 VanDerWaalsContact O-N 3.15Å; S265-A267 VanDerWaalsContact C-N 3.34Å; S265-A267 PolarHBondContact O-N 3.06Å; A267-G269 PolarHBondContact O-N 3Å
268	M	86	Confident	84.6	Confident	82 Å²	82	53.5 Å²	53.5	40%	0.404	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-0.4	174.8	-70.5	179.8	73.5	0	0	113.5	I264 S265 L266 Y270 M749	I264-M268 HydrophobicContact CG2-CG 4.2Å; I264-M268 HydrophobicContact CG2-SD 3.75Å; I264-M268 WeakPolarHBondContact O-CB 3.34Å; I264-M268 WeakPolarHBondContact O-CG 3.27Å; I264-M268 PolarHBondContact O-N 3.49Å; S265-M268 PolarHBondContact O-N 2.86Å; L266-M268 VanDerWaalsContact C-N 3.31Å; L266-M268 PolarHBondContact O-N 2.85Å; M268-Y270 HydrophobicContact CB-CD2 3.78Å; M268-Y270 HydrophobicContact CB-CE2 3.79Å; M268-Y270 HydrophobicContact CE-CE2 4.4Å; M268-Y270 HydrophobicContact SD-CE2 4.44Å; M268-M749 WeakPolarHBondContact CE-O 3.44Å
269	G	84.4	Confident	84.4	Confident	67 Å²	67	55.3 Å²	55.3	69%	0.691	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	15.4	175	0	0	0	0	0	115.1	S265 L266 A267	S265-G269 PolarHBondContact O-N 3.18Å; L266-G269 PolarHBondContact O-N 2.84Å; L266-G269 VanDerWaalsContact O-N 3.14Å; A267-G269 PolarHBondContact O-N 3Å
270	Y	82.6	Confident	83.8	Confident	21 Å²	21	52.8 Å²	52.8	8%	0.082	29%	0.286	C	S	.	.			trans	-69.5	145.1	175.4	-72.8	-105.4	0	0	0	111.7	S265 M268 F278 M749 N752	S265-Y270 VanDerWaalsContact O-CB 3.29Å; S265-Y270 WeakPolarHBondContact O-CB 3.36Å; S265-Y270 WeakPolarHBondContact O-CD2 3.47Å; S265-Y270 PolarHBondContact O-N 3.35Å; M268-Y270 HydrophobicContact CB-CD2 3.78Å; M268-Y270 HydrophobicContact CB-CE2 3.79Å; M268-Y270 HydrophobicContact CE-CE2 4.4Å; M268-Y270 HydrophobicContact SD-CE2 4.44Å; Y270-F278 HydrophobicContact CD1-CD2 4.43Å; Y270-F278 AromaticContact CD1-CE2 3.45Å; Y270-F278 HydrophobicContact CD1-CE2 3.45Å; Y270-F278 VanDerWaalsContact CD1-CE2 3.45Å; Y270-F278 HydrophobicContact CD1-CZ 4.16Å; Y270-F278 HydrophobicContact CE1-CD2 4.46Å; Y270-F278 AromaticContact CE1-CE2 3.44Å; Y270-F278 HydrophobicContact CE1-CE2 3.44Å; Y270-F278 VanDerWaalsContact CE1-CE2 3.44Å; Y270-F278 AromaticContact CE1-CZ 3.92Å; Y270-F278 HydrophobicContact CE1-CZ 3.92Å; Y270-F278 HydrophobicContact CG-CE2 4.34Å; Y270-M749 PolarHBondContact OH-O 2.96Å; Y270-N752 PolarHBondContact OH-OD1 3.2Å
271	Y	83.9	Confident	83.2	Confident	139 Å²	139	50.8 Å²	50.8	55%	0.545	28%	0.275	S	S	.	.			trans	-65.9	137.5	173	-172.4	-115.6	0	0	0	110.1	L273 D274 A275	Y271-L273 HydrophobicContact CD1-CB 3.77Å; Y271-L273 HydrophobicContact CD1-CD1 4.39Å; Y271-L273 HydrophobicContact CD1-CG 4.16Å; Y271-L273 HydrophobicContact CE1-CB 3.82Å; Y271-L273 HydrophobicContact CE1-CD1 3.67Å; Y271-L273 HydrophobicContact CE1-CG 3.67Å; Y271-L273 PolarHBondContact O-N 3.45Å; Y271-D274 PolarHBondContact O-N 3Å; Y271-A275 PolarHBondContact O-N 3.33Å
272	W	83.1	Confident	83	Confident	127 Å²	127	49.8 Å²	49.8	48%	0.481	27%	0.271	S	S	.	.	H	α-helix	trans	-56	-30.4	-171.6	71.4	-87.8	0	0	0	114	L266 A275 V276	L266-W272 HydrophobicContact CD2-CB 4.17Å; W272-A275 WeakPolarHBondContact O-CB 3.33Å; W272-A275 PolarHBondContact O-N 3.4Å; W272-V276 HydrophobicContact CE3-CG2 4.23Å; W272-V276 VanDerWaalsContact O-CG2 3.31Å; W272-V276 WeakPolarHBondContact O-CG2 3.4Å; W272-V276 PolarHBondContact O-N 3.08Å
273	L	77.2	Confident	82.6	Confident	26 Å²	26	48.3 Å²	48.3	14%	0.136	27%	0.265	C	S	.	.	H	α-helix	trans	-66.9	-41.3	173.8	-74.2	-179.9	0	0	0	112.3	Y271 A275 V276 V277	Y271-L273 HydrophobicContact CD1-CB 3.77Å; Y271-L273 HydrophobicContact CD1-CD1 4.39Å; Y271-L273 HydrophobicContact CD1-CG 4.16Å; Y271-L273 HydrophobicContact CE1-CB 3.82Å; Y271-L273 HydrophobicContact CE1-CD1 3.67Å; Y271-L273 HydrophobicContact CE1-CG 3.67Å; Y271-L273 PolarHBondContact O-N 3.45Å; L273-A275 VanDerWaalsContact C-N 3.34Å; L273-V276 PolarHBondContact O-N 3.1Å; L273-V277 WeakPolarHBondContact O-CG2 3.31Å; L273-V277 PolarHBondContact O-N 2.71Å
274	D	77.2	Confident	82	Confident	46 Å²	46	44 Å²	44	25%	0.246	24%	0.243	C	C	.	.	H	α-helix	trans	-68.8	-38.4	177.7	-63.1	-47.4	0	0	0	109.9	R80 Y271 V276 V277 F278	R80-D274 IonicContact NH1-OD1 3.01Å; R80-D274 PolarHBondContact NH1-OD1 3.22Å; Y271-D274 PolarHBondContact O-N 3Å; D274-V276 VanDerWaalsContact C-N 3.33Å; D274-V276 PolarHBondContact O-N 2.88Å; D274-V277 WeakPolarHBondContact O-CB 3.15Å; D274-V277 PolarHBondContact O-N 2.69Å; D274-V277 VanDerWaalsContact O-N 3.1Å; D274-F278 HydrophobicContact CB-CE2 4.11Å; D274-F278 HydrophobicContact CB-CZ 4.22Å; D274-F278 WeakPolarHBondContact O-CD2 3.46Å; D274-F278 WeakPolarHBondContact O-CE2 3.44Å; D274-F278 WeakPolarHBondContact O-CG 3.42Å; D274-F278 PolarHBondContact O-N 2.97Å
275	A	82.6	Confident	81.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.8	-43.9	171.5	0	0	0	0	0	112.3	F262 S265 L266 Y271 W272 L273 V277 F278 L279	F262-A275 HydrophobicContact CD2-CB 3.74Å; F262-A275 WeakPolarHBondContact CD2-O 3.36Å; F262-A275 HydrophobicContact CE2-CB 3.6Å; S265-A275 WeakPolarHBondContact OG-CB 3.49Å; L266-A275 HydrophobicContact CD2-CB 3.99Å; L266-A275 HydrophobicContact CG-CB 4.33Å; Y271-A275 PolarHBondContact O-N 3.33Å; W272-A275 WeakPolarHBondContact O-CB 3.33Å; W272-A275 PolarHBondContact O-N 3.4Å; L273-A275 VanDerWaalsContact C-N 3.34Å; A275-V277 VanDerWaalsContact C-N 3.34Å; A275-V277 PolarHBondContact O-N 3.14Å; A275-F278 PolarHBondContact O-N 2.99Å; A275-L279 PolarHBondContact O-N 2.89Å
276	V	79.7	Confident	81.5	Confident	34 Å²	34	41.3 Å²	41.3	21%	0.206	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-39.1	174.7	169.3	0	0	0	0	111.5	F262 W272 L273 D274 F278 L279 I280	F262-V276 HydrophobicContact CE2-CG2 3.84Å; F262-V276 HydrophobicContact CZ-CG2 4.49Å; W272-V276 HydrophobicContact CE3-CG2 4.23Å; W272-V276 VanDerWaalsContact O-CG2 3.31Å; W272-V276 WeakPolarHBondContact O-CG2 3.4Å; W272-V276 PolarHBondContact O-N 3.08Å; L273-V276 PolarHBondContact O-N 3.1Å; D274-V276 VanDerWaalsContact C-N 3.33Å; D274-V276 PolarHBondContact O-N 2.88Å; V276-F278 VanDerWaalsContact C-N 3.32Å; V276-F278 PolarHBondContact O-N 2.87Å; V276-L279 WeakPolarHBondContact O-CB 3.39Å; V276-L279 PolarHBondContact O-N 2.84Å; V276-I280 HydrophobicContact CG1-CD1 3.77Å; V276-I280 WeakPolarHBondContact O-CD1 3.22Å; V276-I280 VanDerWaalsContact O-CG1 3.26Å; V276-I280 WeakPolarHBondContact O-CG1 3.26Å; V276-I280 PolarHBondContact O-N 3.36Å; V276-I280 VanDerWaalsContact O-N 3.08Å
277	V	75.6	Confident	81	Confident	49 Å²	49	40.4 Å²	40.4	30%	0.297	23%	0.227	S	C	.	.	H	α-helix	trans	-63.3	-39.9	176.3	172.5	0	0	0	0	111	L273 D274 A275 I280 G281	L273-V277 WeakPolarHBondContact O-CG2 3.31Å; L273-V277 PolarHBondContact O-N 2.71Å; D274-V277 WeakPolarHBondContact O-CB 3.15Å; D274-V277 PolarHBondContact O-N 2.69Å; D274-V277 VanDerWaalsContact O-N 3.1Å; A275-V277 VanDerWaalsContact C-N 3.34Å; A275-V277 PolarHBondContact O-N 3.14Å; V277-I280 PolarHBondContact O-N 2.85Å; V277-G281 PolarHBondContact O-N 2.98Å
278	F	77.3	Confident	80.5	Confident	18 Å²	18	36.8 Å²	36.8	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-68.6	-42.6	175.9	-55.8	-38.8	0	0	0	112.7	Y270 D274 A275 V276 I280 G281 I282 F748 M749	Y270-F278 HydrophobicContact CD1-CD2 4.43Å; Y270-F278 AromaticContact CD1-CE2 3.45Å; Y270-F278 HydrophobicContact CD1-CE2 3.45Å; Y270-F278 VanDerWaalsContact CD1-CE2 3.45Å; Y270-F278 HydrophobicContact CD1-CZ 4.16Å; Y270-F278 HydrophobicContact CE1-CD2 4.46Å; Y270-F278 AromaticContact CE1-CE2 3.44Å; Y270-F278 HydrophobicContact CE1-CE2 3.44Å; Y270-F278 VanDerWaalsContact CE1-CE2 3.44Å; Y270-F278 AromaticContact CE1-CZ 3.92Å; Y270-F278 HydrophobicContact CE1-CZ 3.92Å; Y270-F278 HydrophobicContact CG-CE2 4.34Å; D274-F278 HydrophobicContact CB-CE2 4.11Å; D274-F278 HydrophobicContact CB-CZ 4.22Å; D274-F278 WeakPolarHBondContact O-CD2 3.46Å; D274-F278 WeakPolarHBondContact O-CE2 3.44Å; D274-F278 WeakPolarHBondContact O-CG 3.42Å; D274-F278 PolarHBondContact O-N 2.97Å; A275-F278 PolarHBondContact O-N 2.99Å; V276-F278 VanDerWaalsContact C-N 3.32Å; V276-F278 PolarHBondContact O-N 2.87Å; F278-I280 PolarHBondContact O-N 2.82Å; F278-G281 PolarHBondContact O-N 3.32Å; F278-G281 VanDerWaalsContact O-N 3.14Å; F278-I282 VanDerWaalsContact O-CG1 3.26Å; F278-I282 WeakPolarHBondContact O-CG1 3.43Å; F278-I282 PolarHBondContact O-N 3.28Å; F278-F748 HydrophobicContact CD1-CE1 4.24Å; F278-F748 HydrophobicContact CE1-CD1 4.07Å; F278-F748 AromaticContact CE1-CE1 3.37Å; F278-F748 HydrophobicContact CE1-CE1 3.37Å; F278-F748 HydrophobicContact CE1-CZ 4.31Å; F278-F748 HydrophobicContact CZ-CD1 4.46Å; F278-F748 AromaticContact CZ-CE1 3.62Å; F278-F748 HydrophobicContact CZ-CE1 3.62Å; F278-M749 HydrophobicContact CB-SD 3.73Å; F278-M749 HydrophobicContact CD2-CG 4.17Å; F278-M749 HydrophobicContact CD2-SD 4.03Å; F278-M749 HydrophobicContact CG-CG 4.22Å; F278-M749 HydrophobicContact CG-SD 3.94Å
279	L	81.8	Confident	80	Confident	38 Å²	38	34.1 Å²	34.1	20%	0.199	18%	0.183	C	C	.	.	H	α-helix	trans	-50.4	-47.5	172.9	170.5	64.8	0	0	0	110.6	G258 F262 A275 V276 I282 I283	G258-L279 VanDerWaalsContact O-CD1 3.32Å; G258-L279 WeakPolarHBondContact O-CD1 3.49Å; F262-L279 HydrophobicContact CB-CB 4.42Å; F262-L279 HydrophobicContact CB-CD1 4.45Å; F262-L279 HydrophobicContact CD2-CB 4.15Å; F262-L279 HydrophobicContact CD2-CD2 4.32Å; A275-L279 PolarHBondContact O-N 2.89Å; V276-L279 WeakPolarHBondContact O-CB 3.39Å; V276-L279 PolarHBondContact O-N 2.84Å; L279-I282 PolarHBondContact O-N 3.15Å; L279-I283 HydrophobicContact CD1-CD1 3.81Å; L279-I283 HydrophobicContact CD1-CG1 4.37Å; L279-I283 HydrophobicContact CG-CD1 4.03Å; L279-I283 VanDerWaalsContact O-CG1 3.29Å; L279-I283 WeakPolarHBondContact O-CG1 3.49Å; L279-I283 PolarHBondContact O-N 3.17Å
280	I	76.3	Confident	79.7	Confident	14 Å²	14	31 Å²	31	7%	0.072	15%	0.151	C	C	.	.	H	α-helix	trans	-70	-41.2	-179	-61.9	161.1	0	0	0	111.4	L69 V276 V277 F278 I282 I283 V284	L69-I280 HydrophobicContact CD1-CG2 3.86Å; L69-I280 HydrophobicContact CD2-CB 4.31Å; L69-I280 HydrophobicContact CD2-CD1 3.4Å; L69-I280 VanDerWaalsContact CD2-CD1 3.4Å; L69-I280 HydrophobicContact CD2-CG1 4.37Å; L69-I280 HydrophobicContact CD2-CG2 3.83Å; L69-I280 HydrophobicContact CG-CD1 3.79Å; L69-I280 HydrophobicContact CG-CG2 4Å; V276-I280 HydrophobicContact CG1-CD1 3.77Å; V276-I280 WeakPolarHBondContact O-CD1 3.22Å; V276-I280 VanDerWaalsContact O-CG1 3.26Å; V276-I280 WeakPolarHBondContact O-CG1 3.26Å; V276-I280 PolarHBondContact O-N 3.36Å; V276-I280 VanDerWaalsContact O-N 3.08Å; V277-I280 PolarHBondContact O-N 2.85Å; F278-I280 PolarHBondContact O-N 2.82Å; I280-I282 VanDerWaalsContact C-N 3.32Å; I280-I282 PolarHBondContact O-N 3.4Å; I280-I283 PolarHBondContact O-N 2.92Å; I280-V284 HydrophobicContact CG2-CG2 4.26Å; I280-V284 WeakPolarHBondContact O-CB 3.1Å; I280-V284 VanDerWaalsContact O-CG2 3.29Å; I280-V284 WeakPolarHBondContact O-CG2 3.14Å; I280-V284 PolarHBondContact O-N 2.94Å
281	G	77	Confident	79.7	Confident	6 Å²	6	30.2 Å²	30.2	6%	0.062	15%	0.148	C	C	.	.	H	α-helix	trans	-58.7	-41.4	175	0	0	0	0	0	113.1	V277 F278 A285	V277-G281 PolarHBondContact O-N 2.98Å; F278-G281 PolarHBondContact O-N 3.32Å; F278-G281 VanDerWaalsContact O-N 3.14Å; G281-A285 WeakPolarHBondContact O-CB 3.3Å; G281-A285 PolarHBondContact O-N 2.92Å
282	I	83.7	Confident	79.5	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.8	-42	177.5	-64.3	165	0	0	0	111.1	L257 F261 F278 L279 I280 A285 N286 F745 L746 M749	L257-I282 HydrophobicContact CB-CG2 4.03Å; F261-I282 HydrophobicContact CB-CD1 3.45Å; F261-I282 VanDerWaalsContact CB-CD1 3.45Å; F261-I282 HydrophobicContact CD2-CD1 4.42Å; F261-I282 HydrophobicContact CG-CD1 4.04Å; F278-I282 VanDerWaalsContact O-CG1 3.26Å; F278-I282 WeakPolarHBondContact O-CG1 3.43Å; F278-I282 PolarHBondContact O-N 3.28Å; L279-I282 PolarHBondContact O-N 3.15Å; I280-I282 VanDerWaalsContact C-N 3.32Å; I280-I282 PolarHBondContact O-N 3.4Å; I282-A285 PolarHBondContact O-N 2.82Å; I282-N286 PolarHBondContact O-N 2.98Å; I282-N286 VanDerWaalsContact O-N 3.16Å; I282-N286 PolarHBondContact O-ND2 3.27Å; I282-F745 HydrophobicContact CG1-CB 4.38Å; I282-L746 HydrophobicContact CD1-CD2 4.4Å; I282-M749 HydrophobicContact CD1-CE 3.47Å; I282-M749 VanDerWaalsContact CD1-CE 3.47Å; I282-M749 HydrophobicContact CD1-SD 4.27Å; I282-M749 HydrophobicContact CG1-CE 4.21Å
283	I	79.8	Confident	79.5	Confident	22 Å²	22	22.6 Å²	22.6	11%	0.113	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-47.8	177.5	-70.7	169.2	0	0	0	110.1	Y65 L279 I280 A285 N286 V287	Y65-I283 HydrophobicContact CE1-CD1 4.34Å; L279-I283 HydrophobicContact CD1-CD1 3.81Å; L279-I283 HydrophobicContact CD1-CG1 4.37Å; L279-I283 HydrophobicContact CG-CD1 4.03Å; L279-I283 VanDerWaalsContact O-CG1 3.29Å; L279-I283 WeakPolarHBondContact O-CG1 3.49Å; L279-I283 PolarHBondContact O-N 3.17Å; I280-I283 PolarHBondContact O-N 2.92Å; I283-A285 PolarHBondContact O-N 3.35Å; I283-N286 PolarHBondContact O-N 3.38Å; I283-N286 VanDerWaalsContact O-N 3.1Å; I283-V287 HydrophobicContact CG2-CG2 4.4Å; I283-V287 WeakPolarHBondContact O-CG2 3.31Å; I283-V287 PolarHBondContact O-N 3.13Å
284	V	77.3	Confident	80	Confident	12 Å²	12	21.4 Å²	21.4	7%	0.073	13%	0.125	C	C	.	.	H	α-helix	trans	-58.6	-48.6	177.6	171.2	0	0	0	0	110.4	L91 I280 N286 V287 T759	L91-V284 HydrophobicContact CD1-CG2 4.16Å; I280-V284 HydrophobicContact CG2-CG2 4.26Å; I280-V284 WeakPolarHBondContact O-CB 3.1Å; I280-V284 VanDerWaalsContact O-CG2 3.29Å; I280-V284 WeakPolarHBondContact O-CG2 3.14Å; I280-V284 PolarHBondContact O-N 2.94Å; V284-N286 PolarHBondContact O-N 3.33Å; V284-V287 PolarHBondContact O-N 3.17Å; V284-V287 VanDerWaalsContact O-N 3.14Å; V284-T759 HydrophobicContact CG1-CG2 3.96Å
285	A	82.7	Confident	80.5	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-13.6	178.1	0	0	0	0	0	114.9	G281 I282 I283 I742 I762	G281-A285 WeakPolarHBondContact O-CB 3.3Å; G281-A285 PolarHBondContact O-N 2.92Å; I282-A285 PolarHBondContact O-N 2.82Å; I283-A285 PolarHBondContact O-N 3.35Å; A285-I742 HydrophobicContact CB-CG1 3.81Å; A285-I742 VanDerWaalsContact O-CG1 3.26Å; A285-I742 WeakPolarHBondContact O-CG1 3.28Å; A285-I762 HydrophobicContact CB-CD1 4.04Å
286	N	83.6	Confident	80.7	Confident	1 Å²	1	21 Å²	21	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-97	-20.8	176.6	-86.5	-91.8	0	0	0	113.5	I250 A254 I282 I283 V284 P288 N738 I742	I250-N286 VanDerWaalsContact CG2-O 3.26Å; I250-N286 WeakPolarHBondContact CG2-O 3.41Å; A254-N286 HydrophobicContact CB-CB 3.51Å; I282-N286 PolarHBondContact O-N 2.98Å; I282-N286 VanDerWaalsContact O-N 3.16Å; I282-N286 PolarHBondContact O-ND2 3.27Å; I283-N286 PolarHBondContact O-N 3.38Å; I283-N286 VanDerWaalsContact O-N 3.1Å; V284-N286 PolarHBondContact O-N 3.33Å; N286-P288 VanDerWaalsContact O-CD 3.31Å; N286-P288 WeakPolarHBondContact O-CD 3.43Å; N286-N738 PolarHBondContact O-ND2 3.29Å; N286-I742 HydrophobicContact CB-CD1 4.36Å; N286-I742 WeakPolarHBondContact ND2-CD1 3.38Å; N286-I742 WeakPolarHBondContact OD1-CD1 3.43Å
287	V	79.1	Confident	81.1	Confident	58 Å²	58	22.1 Å²	22.1	35%	0.352	13%	0.131	S	C	.	.	S	Bend	trans	-95.1	109.1	-173.5	174.9	0	0	0	0	107.9	I283 V284 E289	I283-V287 HydrophobicContact CG2-CG2 4.4Å; I283-V287 WeakPolarHBondContact O-CG2 3.31Å; I283-V287 PolarHBondContact O-N 3.13Å; V284-V287 PolarHBondContact O-N 3.17Å; V284-V287 VanDerWaalsContact O-N 3.14Å; V287-E289 PolarHBondContact O-N 2.92Å
288	P	79	Confident	81.8	Confident	12 Å²	12	19.8 Å²	19.8	8%	0.078	12%	0.117	C	C	.	.			trans	-75.6	92.1	-177.4	31	-34.9	0	0	0	110.1	F246 N286 G290 L291 T734 L735	F246-P288 HydrophobicContact CZ-CG 4.24Å; N286-P288 VanDerWaalsContact O-CD 3.31Å; N286-P288 WeakPolarHBondContact O-CD 3.43Å; P288-G290 PolarHBondContact O-N 2.85Å; P288-L291 HydrophobicContact CB-CB 3.93Å; P288-L291 HydrophobicContact CG-CB 3.99Å; P288-L291 HydrophobicContact CG-CD2 3.93Å; P288-L291 WeakPolarHBondContact O-CB 3.5Å; P288-L291 PolarHBondContact O-N 3.01Å; P288-L291 VanDerWaalsContact O-N 3.12Å; P288-T734 HydrophobicContact CB-CG2 4.05Å; P288-L735 HydrophobicContact CG-CD2 4.38Å
289	E	75.1	Confident	82.5	Confident	25 Å²	25	19.1 Å²	19.1	12%	0.117	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-28.5	-171.6	-62.8	94.5	162.1	0	0	113	V94 V287 L291 L767	V94-E289 HydrophobicContact CG1-CB 4.19Å; V287-E289 PolarHBondContact O-N 2.92Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L767 HydrophobicContact CB-CD2 3.98Å; E289-L767 HydrophobicContact CB-CG 4.45Å
290	G	78.2	Confident	82.7	Confident	2 Å²	2	20.3 Å²	20.3	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-76.2	-15.8	177.5	0	0	0	0	0	114.6	P288 A293 T294	P288-G290 PolarHBondContact O-N 2.85Å; G290-A293 PolarHBondContact O-N 2.87Å; G290-T294 WeakPolarHBondContact O-CB 3.19Å; G290-T294 PolarHBondContact O-N 3.23Å; G290-T294 PolarHBondContact O-OG1 3.44Å
291	L	84	Confident	83.4	Confident	4 Å²	4	21.4 Å²	21.4	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-72.4	-43.3	-167	-177.1	64.7	0	0	0	113.1	F246 P288 E289 A293 T294 V295 I731 T734	F246-L291 HydrophobicContact CD1-CD2 4.41Å; F246-L291 HydrophobicContact CE1-CD2 3.31Å; F246-L291 HydrophobicContact CE2-CD2 4.23Å; F246-L291 HydrophobicContact CZ-CD2 3.18Å; P288-L291 HydrophobicContact CB-CB 3.93Å; P288-L291 HydrophobicContact CG-CB 3.99Å; P288-L291 HydrophobicContact CG-CD2 3.93Å; P288-L291 WeakPolarHBondContact O-CB 3.5Å; P288-L291 PolarHBondContact O-N 3.01Å; P288-L291 VanDerWaalsContact O-N 3.12Å; E289-L291 VanDerWaalsContact C-N 3.33Å; L291-A293 VanDerWaalsContact C-N 3.31Å; L291-A293 PolarHBondContact O-N 3.35Å; L291-T294 WeakPolarHBondContact O-CB 3.39Å; L291-T294 PolarHBondContact O-N 3.09Å; L291-T294 VanDerWaalsContact O-N 3.13Å; L291-V295 HydrophobicContact CD1-CG2 4.39Å; L291-V295 HydrophobicContact CG-CG2 4.44Å; L291-V295 WeakPolarHBondContact O-CG2 3.41Å; L291-V295 PolarHBondContact O-N 3.07Å; L291-I731 HydrophobicContact CD1-CB 4.41Å; L291-I731 HydrophobicContact CD1-CG1 3.79Å; L291-I731 HydrophobicContact CD2-CG1 4.31Å; L291-I731 HydrophobicContact CD2-CG2 4.38Å; L291-T734 HydrophobicContact CB-CG2 4.26Å; L291-T734 HydrophobicContact CD1-CG2 4.29Å
292	L	79.8	Confident	84.1	Confident	71 Å²	71	21.1 Å²	21.1	37%	0.372	13%	0.126	S	C	.	.	H	α-helix	trans	-61.5	-42.2	178	-70.6	175	0	0	0	111.3	I247 T294 V295 T296	I247-L292 HydrophobicContact CD1-CD2 4.35Å; L292-T294 VanDerWaalsContact C-N 3.32Å; L292-T294 PolarHBondContact O-N 2.95Å; L292-V295 PolarHBondContact O-N 3.4Å; L292-T296 PolarHBondContact O-N 3.18Å; L292-T296 PolarHBondContact O-OG1 2.78Å; L292-T296 VanDerWaalsContact O-OG1 3.1Å
293	A	81.8	Confident	84.3	Confident	36 Å²	36	21.7 Å²	21.7	30%	0.298	13%	0.13	S	C	.	.	H	α-helix	trans	-61.5	-42.4	174.6	0	0	0	0	0	111.5	G290 L291 T296 V297	G290-A293 PolarHBondContact O-N 2.87Å; L291-A293 VanDerWaalsContact C-N 3.31Å; L291-A293 PolarHBondContact O-N 3.35Å; A293-T296 PolarHBondContact O-N 2.94Å; A293-V297 VanDerWaalsContact O-CG2 3.3Å; A293-V297 WeakPolarHBondContact O-CG2 3.4Å; A293-V297 PolarHBondContact O-N 3.3Å
294	T	88.2	Confident	84.6	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-59	-52	176	-60.1	0	0	0	0	111.2	G290 L291 L292 T296 V297 C298 S730 L771 A774 I775	G290-T294 WeakPolarHBondContact O-CB 3.19Å; G290-T294 PolarHBondContact O-N 3.23Å; G290-T294 PolarHBondContact O-OG1 3.44Å; L291-T294 WeakPolarHBondContact O-CB 3.39Å; L291-T294 PolarHBondContact O-N 3.09Å; L291-T294 VanDerWaalsContact O-N 3.13Å; L292-T294 VanDerWaalsContact C-N 3.32Å; L292-T294 PolarHBondContact O-N 2.95Å; T294-T296 VanDerWaalsContact C-N 3.32Å; T294-T296 PolarHBondContact O-N 3.49Å; T294-V297 PolarHBondContact O-N 2.88Å; T294-C298 WeakPolarHBondContact O-CB 3.36Å; T294-C298 PolarHBondContact O-N 3.3Å; T294-C298 PolarHBondContact O-SG 3.38Å; T294-S730 VanDerWaalsContact CG2-OG 3.29Å; T294-S730 WeakPolarHBondContact CG2-OG 3.38Å; T294-L771 WeakPolarHBondContact OG1-CD1 3.46Å; T294-A774 HydrophobicContact CG2-CB 3.73Å; T294-I775 HydrophobicContact CG2-CG1 4.04Å
295	V	88.6	Confident	85.1	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-56.8	-46.5	179.4	174.7	0	0	0	0	110.9	L243 L291 L292 V297 C298 L299 L727	L243-V295 HydrophobicContact CD1-CG1 4.25Å; L243-V295 HydrophobicContact CD2-CG1 4.27Å; L243-V295 HydrophobicContact CD2-CG2 4.31Å; L291-V295 HydrophobicContact CD1-CG2 4.39Å; L291-V295 HydrophobicContact CG-CG2 4.44Å; L291-V295 WeakPolarHBondContact O-CG2 3.41Å; L291-V295 PolarHBondContact O-N 3.07Å; L292-V295 PolarHBondContact O-N 3.4Å; V295-V297 PolarHBondContact O-N 3.43Å; V295-C298 WeakPolarHBondContact O-CB 3.25Å; V295-C298 PolarHBondContact O-N 2.92Å; V295-L299 HydrophobicContact CG1-CD1 4.1Å; V295-L299 HydrophobicContact CG1-CG 4.46Å; V295-L299 WeakPolarHBondContact O-CG 3.29Å; V295-L299 PolarHBondContact O-N 2.87Å; V295-L727 HydrophobicContact CB-CD2 4.33Å; V295-L727 HydrophobicContact CG1-CD2 4.07Å; V295-L727 HydrophobicContact CG2-CD2 4.15Å
296	T	85.1	Confident	85.4	Confident	34 Å²	34	29.4 Å²	29.4	21%	0.209	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-42.3	178.6	-60.5	0	0	0	0	112.3	L292 A293 T294 T300 L316	L292-T296 PolarHBondContact O-N 3.18Å; L292-T296 PolarHBondContact O-OG1 2.78Å; L292-T296 VanDerWaalsContact O-OG1 3.1Å; A293-T296 PolarHBondContact O-N 2.94Å; T294-T296 VanDerWaalsContact C-N 3.32Å; T294-T296 PolarHBondContact O-N 3.49Å; T296-T300 WeakPolarHBondContact O-CB 2.95Å; T296-T300 PolarHBondContact O-N 3.36Å; T296-T300 PolarHBondContact O-OG1 2.96Å; T296-L316 HydrophobicContact CG2-CD1 4.37Å
297	V	88.2	Confident	85.6	Confident	56 Å²	56	31.3 Å²	31.3	34%	0.339	18%	0.176	S	C	.	.	H	α-helix	trans	-66.3	-43.5	176.2	174.8	0	0	0	0	110.9	A293 T294 V295 L299 T300 L301 I775	A293-V297 VanDerWaalsContact O-CG2 3.3Å; A293-V297 WeakPolarHBondContact O-CG2 3.4Å; A293-V297 PolarHBondContact O-N 3.3Å; T294-V297 PolarHBondContact O-N 2.88Å; V295-V297 PolarHBondContact O-N 3.43Å; V297-L299 VanDerWaalsContact C-N 3.35Å; V297-L299 PolarHBondContact O-N 3.02Å; V297-T300 WeakPolarHBondContact O-CB 3.39Å; V297-T300 PolarHBondContact O-N 2.95Å; V297-T300 VanDerWaalsContact O-N 3.15Å; V297-L301 HydrophobicContact CG1-CD1 4.07Å; V297-L301 HydrophobicContact CG1-CG 4.27Å; V297-L301 VanDerWaalsContact O-CG 3.3Å; V297-L301 WeakPolarHBondContact O-CG 3.43Å; V297-L301 PolarHBondContact O-N 3.42Å; V297-I775 HydrophobicContact CB-CD1 4.23Å; V297-I775 HydrophobicContact CB-CG1 4.28Å; V297-I775 HydrophobicContact CG1-CD1 3.97Å; V297-I775 HydrophobicContact CG1-CG1 4.1Å; V297-I775 HydrophobicContact CG1-CG2 3.78Å; V297-I775 HydrophobicContact CG2-CD1 4.45Å
298	C	91.8	Very high	86	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-44.1	177.1	-67.3	0	0	0	0	112.2	T294 V295 T302 I723 L727 A778	T294-C298 WeakPolarHBondContact O-CB 3.36Å; T294-C298 PolarHBondContact O-N 3.3Å; T294-C298 PolarHBondContact O-SG 3.38Å; V295-C298 WeakPolarHBondContact O-CB 3.25Å; V295-C298 PolarHBondContact O-N 2.92Å; C298-T302 PolarHBondContact O-N 3.31Å; C298-T302 PolarHBondContact O-OG1 2.72Å; C298-I723 HydrophobicContact CB-CD1 4.14Å; C298-L727 HydrophobicContact CB-CD2 3.81Å; C298-A778 HydrophobicContact CB-CB 3.84Å
299	L	90.6	Very high	86.4	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-41.7	174.4	-68.3	174.4	0	0	0	111.6	V295 V297 L301 T302 A303 L316 I723 L727	V295-L299 HydrophobicContact CG1-CD1 4.1Å; V295-L299 HydrophobicContact CG1-CG 4.46Å; V295-L299 WeakPolarHBondContact O-CG 3.29Å; V295-L299 PolarHBondContact O-N 2.87Å; V297-L299 VanDerWaalsContact C-N 3.35Å; V297-L299 PolarHBondContact O-N 3.02Å; L299-L301 PolarHBondContact O-N 2.54Å; L299-T302 PolarHBondContact O-N 2.96Å; L299-A303 WeakPolarHBondContact O-CB 3.43Å; L299-A303 PolarHBondContact O-N 2.69Å; L299-L316 HydrophobicContact CB-CB 4.17Å; L299-I723 HydrophobicContact CD2-CG1 4.08Å; L299-L727 HydrophobicContact CD2-CD1 4.25Å
300	T	87.6	Confident	87	Confident	63 Å²	63	42.6 Å²	42.6	39%	0.387	22%	0.222	S	C	.	.	H	α-helix	trans	-60.3	-43.4	177.1	-60.2	0	0	0	0	112.2	T296 V297 T302 A303 K304 L316	T296-T300 WeakPolarHBondContact O-CB 2.95Å; T296-T300 PolarHBondContact O-N 3.36Å; T296-T300 PolarHBondContact O-OG1 2.96Å; V297-T300 WeakPolarHBondContact O-CB 3.39Å; V297-T300 PolarHBondContact O-N 2.95Å; V297-T300 VanDerWaalsContact O-N 3.15Å; T300-T302 VanDerWaalsContact C-N 3.31Å; T300-T302 PolarHBondContact O-N 3.06Å; T300-A303 PolarHBondContact O-N 3.19Å; T300-K304 WeakPolarHBondContact O-CB 3.22Å; T300-K304 PolarHBondContact O-N 3.35Å; T300-L316 WeakPolarHBondContact OG1-CD1 3.25Å
301	L	89.9	Confident	87.4	Confident	36 Å²	36	42.6 Å²	42.6	19%	0.188	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-39.3	177.2	-70.6	173.8	0	0	0	111.6	V297 L299 K304 R305 I775 Y779	V297-L301 HydrophobicContact CG1-CD1 4.07Å; V297-L301 HydrophobicContact CG1-CG 4.27Å; V297-L301 VanDerWaalsContact O-CG 3.3Å; V297-L301 WeakPolarHBondContact O-CG 3.43Å; V297-L301 PolarHBondContact O-N 3.42Å; L299-L301 PolarHBondContact O-N 2.54Å; L301-K304 PolarHBondContact O-N 3.44Å; L301-R305 WeakPolarHBondContact O-CG 3.38Å; L301-R305 PolarHBondContact O-N 3.18Å; L301-I775 HydrophobicContact CD1-CG2 3.86Å; L301-Y779 HydrophobicContact CD1-CD2 4.37Å; L301-Y779 HydrophobicContact CD1-CE2 3.52Å; L301-Y779 WeakPolarHBondContact CD2-OH 3.27Å
302	T	91.1	Very high	87.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-71.3	-42.7	177.6	-51.9	0	0	0	0	111.6	C298 L299 T300 K304 R305 M306 V319 E719 I723	C298-T302 PolarHBondContact O-N 3.31Å; C298-T302 PolarHBondContact O-OG1 2.72Å; L299-T302 PolarHBondContact O-N 2.96Å; T300-T302 VanDerWaalsContact C-N 3.31Å; T300-T302 PolarHBondContact O-N 3.06Å; T302-K304 VanDerWaalsContact C-N 3.26Å; T302-K304 PolarHBondContact O-N 3.49Å; T302-R305 WeakPolarHBondContact O-CA 3.45Å; T302-R305 WeakPolarHBondContact O-CB 3.43Å; T302-R305 PolarHBondContact O-N 3.42Å; T302-R305 PolarHBondContact OG1-NH2 3.27Å; T302-M306 PolarHBondContact O-N 2.98Å; T302-V319 HydrophobicContact CG2-CG1 3.44Å; T302-V319 VanDerWaalsContact CG2-CG1 3.44Å; T302-E719 HydrophobicContact CG2-CB 4.15Å; T302-I723 HydrophobicContact CG2-CB 4.16Å; T302-I723 HydrophobicContact CG2-CG2 4.47Å; T302-I723 WeakPolarHBondContact OG1-CD1 3.47Å
303	A	88.4	Confident	88	Confident	12 Å²	12	43 Å²	43	10%	0.099	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-39.7	172	0	0	0	0	0	111.9	L299 T300 M306 A307 V313 L316 V319	L299-A303 WeakPolarHBondContact O-CB 3.43Å; L299-A303 PolarHBondContact O-N 2.69Å; T300-A303 PolarHBondContact O-N 3.19Å; A303-M306 PolarHBondContact O-N 3.03Å; A303-A307 WeakPolarHBondContact O-CB 3.34Å; A303-A307 PolarHBondContact O-N 3.2Å; A303-V313 HydrophobicContact CB-CB 4.37Å; A303-L316 HydrophobicContact CB-CD2 3.66Å; A303-V319 HydrophobicContact CB-CG2 4Å
304	K	86.6	Confident	88	Confident	140 Å²	140	43 Å²	43	61%	0.609	22%	0.218	S	C	*	.	H	α-helix	trans	-66.9	-35.4	175	-169.3	176.8	-177.5	176.2	0	112.7	T300 L301 T302 K308	T300-K304 WeakPolarHBondContact O-CB 3.22Å; T300-K304 PolarHBondContact O-N 3.35Å; L301-K304 PolarHBondContact O-N 3.44Å; T302-K304 VanDerWaalsContact C-N 3.26Å; T302-K304 PolarHBondContact O-N 3.49Å; K304-K308 WeakPolarHBondContact O-CG 3.24Å; K304-K308 PolarHBondContact O-N 2.84Å
305	R	88.3	Confident	87.6	Confident	57 Å²	57	45.1 Å²	45.1	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-43.7	173	-75.2	-174.8	-74.9	-173	-5.5	111.4	L301 T302 K308 K309 E719 A778	L301-R305 WeakPolarHBondContact O-CG 3.38Å; L301-R305 PolarHBondContact O-N 3.18Å; T302-R305 WeakPolarHBondContact O-CA 3.45Å; T302-R305 WeakPolarHBondContact O-CB 3.43Å; T302-R305 PolarHBondContact O-N 3.42Å; T302-R305 PolarHBondContact OG1-NH2 3.27Å; R305-K308 WeakPolarHBondContact O-CB 3.17Å; R305-K308 PolarHBondContact O-N 2.95Å; R305-K309 PolarHBondContact O-N 3.07Å; R305-E719 IonicContact CZ-OE2 3.17Å; R305-E719 IonicContact NE-OE2 2.78Å; R305-A778 PolarHBondContact NH2-O 3.4Å
306	M	88.5	Confident	87.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-41.4	176.1	-69.9	-175.2	67.2	0	0	112.2	T302 A303 K308 K309 N310 C311 V313 V319 L322 M703 G716 E719	T302-M306 PolarHBondContact O-N 2.98Å; A303-M306 PolarHBondContact O-N 3.03Å; M306-K308 VanDerWaalsContact C-N 3.27Å; M306-K308 PolarHBondContact O-N 2.78Å; M306-K309 CarbonylContact O-C 3.36Å; M306-K309 VanDerWaalsContact O-C 3.29Å; M306-K309 WeakPolarHBondContact O-CA 3.33Å; M306-K309 PolarHBondContact O-N 2.95Å; M306-N310 PolarHBondContact O-N 3.38Å; M306-C311 CarbonylContact C-O 3.55Å; M306-C311 HydrophobicContact CB-CB 4.23Å; M306-C311 HydrophobicContact CE-CB 4.2Å; M306-C311 WeakPolarHBondContact CE-SG 3.3Å; M306-C311 PolarHBondContact O-N 2.95Å; M306-V313 HydrophobicContact CB-CG2 4.45Å; M306-V313 HydrophobicContact CE-CG2 4.27Å; M306-V313 HydrophobicContact SD-CG2 4.24Å; M306-V319 HydrophobicContact SD-CB 4.4Å; M306-V319 HydrophobicContact SD-CG1 3.8Å; M306-V319 HydrophobicContact SD-CG2 4.22Å; M306-L322 HydrophobicContact CE-CD2 4.45Å; M306-M703 HydrophobicContact CE-CE 3.53Å; M306-M703 HydrophobicContact CE-SD 4.11Å; M306-G716 VanDerWaalsContact CE-CA 3.49Å; M306-E719 HydrophobicContact CG-CB 4.11Å; M306-E719 HydrophobicContact CG-CG 4.15Å; M306-E719 HydrophobicContact SD-CB 4.23Å
307	A	87.7	Confident	87.4	Confident	40 Å²	40	47.3 Å²	47.3	33%	0.331	24%	0.236	S	C	.	.	H	α-helix	trans	-61.3	-34.6	177.5	0	0	0	0	0	112.6	A303 K309 N310 C311	A303-A307 WeakPolarHBondContact O-CB 3.34Å; A303-A307 PolarHBondContact O-N 3.2Å; A307-K309 PolarHBondContact O-N 3.14Å; A307-N310 PolarHBondContact O-N 2.83Å; A307-C311 VanDerWaalsContact CA-O 3.28Å; A307-C311 WeakPolarHBondContact CA-O 3.47Å; A307-C311 PolarHBondContact N-O 3.2Å; A307-C311 VanDerWaalsContact N-O 3.1Å
308	K	88.7	Confident	87.4	Confident	168 Å²	168	44.8 Å²	44.8	73%	0.73	22%	0.221	S	C	*	.	H	α-helix	trans	-65	-23.7	172.4	-72.5	178.6	177.3	-174.9	0	113.2	K304 R305 M306 N310	K304-K308 WeakPolarHBondContact O-CG 3.24Å; K304-K308 PolarHBondContact O-N 2.84Å; R305-K308 WeakPolarHBondContact O-CB 3.17Å; R305-K308 PolarHBondContact O-N 2.95Å; M306-K308 VanDerWaalsContact C-N 3.27Å; M306-K308 PolarHBondContact O-N 2.78Å; K308-N310 VanDerWaalsContact C-N 3.34Å
309	K	86.9	Confident	87.2	Confident	92 Å²	92	44.7 Å²	44.7	40%	0.4	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	31.3	175.6	-58	-178.2	-177	171.1	0	111.2	R305 M306 A307 C311 T715 E719	R305-K309 PolarHBondContact O-N 3.07Å; M306-K309 CarbonylContact O-C 3.36Å; M306-K309 VanDerWaalsContact O-C 3.29Å; M306-K309 WeakPolarHBondContact O-CA 3.33Å; M306-K309 PolarHBondContact O-N 2.95Å; A307-K309 PolarHBondContact O-N 3.14Å; K309-C311 PolarHBondContact O-N 3.5Å; K309-C311 VanDerWaalsContact O-N 3.09Å; K309-T715 HydrophobicContact CB-CG2 4.39Å; K309-T715 HydrophobicContact CD-CG2 3.31Å; K309-T715 HydrophobicContact CG-CG2 4.48Å; K309-E719 IonicContact NZ-OE1 3.64Å; K309-E719 PolarHBondContact NZ-OE1 3.37Å
310	N	86.5	Confident	87.3	Confident	73 Å²	73	44.5 Å²	44.5	39%	0.39	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	17.5	179	-58.3	-36.5	0	0	0	115.8	M306 A307 K308 L706 D707	M306-N310 PolarHBondContact O-N 3.38Å; A307-N310 PolarHBondContact O-N 2.83Å; K308-N310 VanDerWaalsContact C-N 3.34Å; N310-L706 HydrophobicContact CB-CB 4.17Å; N310-L706 WeakPolarHBondContact O-CB 3.31Å; N310-L706 PolarHBondContact O-N 3.25Å; N310-D707 HydrophobicContact CB-CB 3.92Å; N310-D707 WeakPolarHBondContact CB-OD2 3.38Å; N310-D707 PolarHBondContact ND2-OD2 3.15Å
311	C	88.2	Confident	87.6	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	98	177.7	-170.6	0	0	0	0	109.4	M306 A307 K309 M703	M306-C311 CarbonylContact C-O 3.55Å; M306-C311 HydrophobicContact CB-CB 4.23Å; M306-C311 HydrophobicContact CE-CB 4.2Å; M306-C311 WeakPolarHBondContact CE-SG 3.3Å; M306-C311 PolarHBondContact O-N 2.95Å; A307-C311 VanDerWaalsContact CA-O 3.28Å; A307-C311 WeakPolarHBondContact CA-O 3.47Å; A307-C311 PolarHBondContact N-O 3.2Å; A307-C311 VanDerWaalsContact N-O 3.1Å; K309-C311 PolarHBondContact O-N 3.5Å; K309-C311 VanDerWaalsContact O-N 3.09Å; C311-M703 PolarHBondContact SG-SD 3.43Å
312	L	88.9	Confident	87.8	Confident	68 Å²	68	39.8 Å²	39.8	36%	0.356	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.3	-177.8	178.1	67.2	0	0	0	110.1	M703 I704 L706	L312-M703 CarbonylContact O-C 3.49Å; L312-M703 WeakPolarHBondContact O-CA 3.43Å; L312-I704 HydrophobicContact CB-CB 4.38Å; L312-I704 PolarHBondContact N-O 3.06Å; L312-I704 PolarHBondContact O-N 2.78Å; L312-L706 HydrophobicContact CB-CD1 4.21Å; L312-L706 HydrophobicContact CB-CD2 4.08Å; L312-L706 HydrophobicContact CB-CG 4.08Å; L312-L706 HydrophobicContact CD2-CD2 4.27Å
313	V	86.6	Confident	87.8	Confident	15 Å²	15	40 Å²	40	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.9	178.6	-171.9	0	0	0	0	109.8	A303 M306 H315 A318 V319 M703	A303-V313 HydrophobicContact CB-CB 4.37Å; M306-V313 HydrophobicContact CB-CG2 4.45Å; M306-V313 HydrophobicContact CE-CG2 4.27Å; M306-V313 HydrophobicContact SD-CG2 4.24Å; V313-H315 WeakPolarHBondContact CG1-O 3.22Å; V313-A318 HydrophobicContact CG1-CB 4.19Å; V313-V319 HydrophobicContact CB-CG2 4.35Å; V313-V319 HydrophobicContact CG1-CG2 3.95Å; V313-V319 HydrophobicContact CG2-CG2 4.04Å; V313-M703 HydrophobicContact CG2-CE 3.86Å; V313-M703 HydrophobicContact CG2-CG 4.48Å
314	K	81.7	Confident	88.1	Confident	37 Å²	37	39.6 Å²	39.6	16%	0.161	19%	0.191	C	C	.	.	S	Bend	trans	-83.6	-42.2	175.3	-68.2	170.5	58.3	-164	0	111.2	K698 Q699 A701 D702 I704	K314-K698 PolarHBondContact NZ-O 3.43Å; K314-K698 VanDerWaalsContact NZ-O 3.17Å; K314-Q699 PolarHBondContact NZ-O 3.38Å; K314-A701 WeakPolarHBondContact CD-O 3.4Å; K314-A701 PolarHBondContact NZ-O 3.43Å; K314-D702 WeakPolarHBondContact CB-O 3.3Å; K314-D702 PolarHBondContact N-O 2.97Å; K314-I704 HydrophobicContact CD-CD1 4.11Å; K314-I704 HydrophobicContact CD-CG1 4.42Å
315	H	80.1	Confident	88.5	Confident	45 Å²	45	32.9 Å²	32.9	21%	0.208	16%	0.162	C	C	.	.	S	Bend	trans	-108.5	118.4	177.9	-69.7	-84.5	0	0	0	111.6	S109 V313 E317 A318 D702	S109-H315 WeakPolarHBondContact CB-CE1 3.34Å; S109-H315 WeakPolarHBondContact CB-NE2 3.38Å; S109-H315 PolarHBondContact OG-CE1 2.98Å; S109-H315 PolarHBondContact OG-NE2 3.21Å; V313-H315 WeakPolarHBondContact CG1-O 3.22Å; H315-E317 PolarHBondContact O-N 3.39Å; H315-E317 VanDerWaalsContact O-N 3.08Å; H315-A318 HydrophobicContact CB-CB 4.23Å; H315-A318 VanDerWaalsContact O-CB 3.25Å; H315-A318 WeakPolarHBondContact O-CB 3.42Å; H315-A318 PolarHBondContact O-N 3.46Å; H315-D702 IonicContact CD2-OD1 3.08Å; H315-D702 PolarHBondContact CD2-OD1 3.23Å; H315-D702 IonicContact NE2-OD1 2.72Å
316	L	83.1	Confident	88.9	Confident	31 Å²	31	31.3 Å²	31.3	16%	0.162	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.9	-176.8	-64.5	-179.6	0	0	0	113.5	Q105 T296 L299 T300 A303 A318 V319	Q105-L316 HydrophobicContact CG-CD1 4.08Å; Q105-L316 HydrophobicContact CG-CG 4.33Å; T296-L316 HydrophobicContact CG2-CD1 4.37Å; L299-L316 HydrophobicContact CB-CB 4.17Å; T300-L316 WeakPolarHBondContact OG1-CD1 3.25Å; A303-L316 HydrophobicContact CB-CD2 3.66Å; L316-A318 VanDerWaalsContact C-N 3.31Å; L316-A318 PolarHBondContact O-N 3.33Å; L316-V319 WeakPolarHBondContact O-CB 3.26Å; L316-V319 VanDerWaalsContact O-CG2 3.31Å; L316-V319 WeakPolarHBondContact O-CG2 3.21Å; L316-V319 PolarHBondContact O-N 3Å
317	E	86.3	Confident	89.3	Confident	52 Å²	52	31.3 Å²	31.3	24%	0.243	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-30.3	177.2	-65.4	-177.2	-174.7	0	0	113.3	T237 I239 H315 V319 E320 T321	T237-E317 HydrophobicContact CG2-CB 3.99Å; T237-E317 VanDerWaalsContact CG2-OE2 3.3Å; T237-E317 WeakPolarHBondContact CG2-OE2 3.22Å; T237-E317 PolarHBondContact OG1-OE2 2.81Å; I239-E317 HydrophobicContact CG2-CB 3.5Å; I239-E317 VanDerWaalsContact CG2-CB 3.5Å; I239-E317 HydrophobicContact CG2-CG 3.73Å; H315-E317 PolarHBondContact O-N 3.39Å; H315-E317 VanDerWaalsContact O-N 3.08Å; E317-V319 PolarHBondContact O-N 3.39Å; E317-V319 VanDerWaalsContact O-N 3.14Å; E317-E320 PolarHBondContact O-N 3.18Å; E317-E320 VanDerWaalsContact O-N 3.13Å; E317-T321 PolarHBondContact O-N 3.01Å; E317-T321 PolarHBondContact O-OG1 3.38Å
318	A	87.8	Confident	89.7	Confident	3 Å²	3	29.4 Å²	29.4	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-22.2	-178.9	0	0	0	0	0	112.7	V313 H315 L316 E320 T321 L322 I685 D702	V313-A318 HydrophobicContact CG1-CB 4.19Å; H315-A318 HydrophobicContact CB-CB 4.23Å; H315-A318 VanDerWaalsContact O-CB 3.25Å; H315-A318 WeakPolarHBondContact O-CB 3.42Å; H315-A318 PolarHBondContact O-N 3.46Å; L316-A318 VanDerWaalsContact C-N 3.31Å; L316-A318 PolarHBondContact O-N 3.33Å; A318-E320 VanDerWaalsContact C-N 3.32Å; A318-E320 PolarHBondContact O-N 3.42Å; A318-T321 PolarHBondContact O-N 2.7Å; A318-L322 PolarHBondContact O-N 3.1Å; A318-I685 HydrophobicContact CB-CD1 3.91Å; A318-I685 HydrophobicContact CB-CG1 4.13Å; A318-I685 VanDerWaalsContact O-CD1 3.26Å; A318-I685 WeakPolarHBondContact O-CD1 3.14Å; A318-D702 HydrophobicContact CB-CB 3.86Å
319	V	88.8	Confident	90.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55.6	-47.9	173.5	178.5	0	0	0	0	110.8	T302 A303 M306 V313 L316 E317 G720 I723	T302-V319 HydrophobicContact CG2-CG1 3.44Å; T302-V319 VanDerWaalsContact CG2-CG1 3.44Å; A303-V319 HydrophobicContact CB-CG2 4Å; M306-V319 HydrophobicContact SD-CB 4.4Å; M306-V319 HydrophobicContact SD-CG1 3.8Å; M306-V319 HydrophobicContact SD-CG2 4.22Å; V313-V319 HydrophobicContact CB-CG2 4.35Å; V313-V319 HydrophobicContact CG1-CG2 3.95Å; V313-V319 HydrophobicContact CG2-CG2 4.04Å; L316-V319 WeakPolarHBondContact O-CB 3.26Å; L316-V319 VanDerWaalsContact O-CG2 3.31Å; L316-V319 WeakPolarHBondContact O-CG2 3.21Å; L316-V319 PolarHBondContact O-N 3Å; E317-V319 PolarHBondContact O-N 3.39Å; E317-V319 VanDerWaalsContact O-N 3.14Å; V319-G720 WeakPolarHBondContact O-CA 3.44Å; V319-I723 HydrophobicContact CG1-CG2 4.08Å
320	E	92.7	Very high	90.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-76.7	-38.7	-178.7	-174.2	-80.1	156.6	0	0	111.4	I239 E317 A318 L322 G323 S324 I723 F724 R792	I239-E320 HydrophobicContact CB-CB 4.15Å; I239-E320 HydrophobicContact CB-CG 4.21Å; I239-E320 WeakPolarHBondContact CB-OE2 3.35Å; I239-E320 HydrophobicContact CD1-CG 4.31Å; I239-E320 HydrophobicContact CG2-CB 4.5Å; I239-E320 PolarHBondContact N-OE2 3.24Å; E317-E320 PolarHBondContact O-N 3.18Å; E317-E320 VanDerWaalsContact O-N 3.13Å; A318-E320 VanDerWaalsContact C-N 3.32Å; A318-E320 PolarHBondContact O-N 3.42Å; E320-L322 PolarHBondContact O-N 3.16Å; E320-L322 VanDerWaalsContact O-N 3.16Å; E320-G323 WeakPolarHBondContact O-CA 3.31Å; E320-G323 PolarHBondContact O-N 3.06Å; E320-S324 PolarHBondContact O-N 2.91Å; E320-S324 VanDerWaalsContact O-N 3.14Å; E320-S324 PolarHBondContact OE1-OG 3.25Å; E320-I723 HydrophobicContact CB-CG2 4.37Å; E320-F724 HydrophobicContact CG-CB 4.26Å; E320-F724 HydrophobicContact CG-CD2 4.03Å; E320-F724 VanDerWaalsContact OE1-CD2 3.25Å; E320-F724 WeakPolarHBondContact OE1-CD2 3.28Å; E320-R792 IonicContact OE1-CZ 3.63Å; E320-R792 IonicContact OE1-NE 2.75Å; E320-R792 PolarHBondContact OE1-NE 3.23Å; E320-R792 IonicContact OE1-NH2 3.73Å; E320-R792 PolarHBondContact OE1-NH2 3.31Å; E320-R792 IonicContact OE2-NH2 2.86Å
321	T	93.6	Very high	90.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-52.6	-41.8	179.1	-52.5	0	0	0	0	111.3	P238 E317 A318 G323 S324 T325 I666 D684 I685	P238-T321 WeakPolarHBondContact CD-OG1 3.37Å; P238-T321 HydrophobicContact CG-CG2 3.98Å; E317-T321 PolarHBondContact O-N 3.01Å; E317-T321 PolarHBondContact O-OG1 3.38Å; A318-T321 PolarHBondContact O-N 2.7Å; T321-G323 VanDerWaalsContact C-N 3.29Å; T321-G323 PolarHBondContact O-N 2.88Å; T321-S324 CarbonylContact O-C 3.56Å; T321-S324 WeakPolarHBondContact O-CA 3.35Å; T321-S324 WeakPolarHBondContact O-CB 3.33Å; T321-S324 PolarHBondContact O-N 3.32Å; T321-T325 PolarHBondContact O-N 3.39Å; T321-T325 PolarHBondContact O-OG1 2.83Å; T321-T325 VanDerWaalsContact O-OG1 3.09Å; T321-I666 HydrophobicContact CG2-CG2 3.95Å; T321-D684 HydrophobicContact CG2-CB 3.79Å; T321-D684 WeakPolarHBondContact CG2-O 3.33Å; T321-I685 HydrophobicContact CG2-CB 3.87Å; T321-I685 HydrophobicContact CG2-CG2 3.94Å
322	L	92.8	Very high	90.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.8	-34.5	178.4	-169.1	53.6	0	0	0	113.1	M306 A318 E320 S324 T325 I685 I687 M703 I713 G716 V717	M306-L322 HydrophobicContact CE-CD2 4.45Å; A318-L322 PolarHBondContact O-N 3.1Å; E320-L322 PolarHBondContact O-N 3.16Å; E320-L322 VanDerWaalsContact O-N 3.16Å; L322-S324 VanDerWaalsContact C-N 3.29Å; L322-T325 WeakPolarHBondContact CA-OG1 3.32Å; L322-T325 WeakPolarHBondContact O-CB 3.45Å; L322-T325 PolarHBondContact O-N 2.99Å; L322-T325 PolarHBondContact O-OG1 3.02Å; L322-I685 HydrophobicContact CB-CD1 3.83Å; L322-I685 HydrophobicContact CD1-CD1 4.41Å; L322-I685 HydrophobicContact CG-CD1 4.5Å; L322-I687 HydrophobicContact CD1-CD1 4.02Å; L322-M703 HydrophobicContact CD2-CE 3.8Å; L322-M703 HydrophobicContact CD2-SD 3.74Å; L322-I713 HydrophobicContact CD1-CG2 4.21Å; L322-G716 VanDerWaalsContact CD2-C 3.48Å; L322-V717 HydrophobicContact CD1-CG2 4.02Å; L322-V717 HydrophobicContact CG-CG2 3.95Å
323	G	92.5	Very high	90.7	Very high	4 Å²	4	11.1 Å²	11.1	4%	0.041	6%	0.058	C	C	.	.	H	α-helix	trans	-69.6	-28.6	174.1	0	0	0	0	0	113.6	E320 T321 R721	E320-G323 WeakPolarHBondContact O-CA 3.31Å; E320-G323 PolarHBondContact O-N 3.06Å; T321-G323 VanDerWaalsContact C-N 3.29Å; T321-G323 PolarHBondContact O-N 2.88Å; G323-R721 VanDerWaalsContact O-CG 3.29Å; G323-R721 WeakPolarHBondContact O-CG 3.4Å; G323-R721 PolarHBondContact O-NE 2.95Å
324	S	93.8	Very high	90.5	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-87.8	-7.7	177.2	-69.5	0	0	0	0	114.1	E320 T321 L322 S326 I666 R792	E320-S324 PolarHBondContact O-N 2.91Å; E320-S324 VanDerWaalsContact O-N 3.14Å; E320-S324 PolarHBondContact OE1-OG 3.25Å; T321-S324 CarbonylContact O-C 3.56Å; T321-S324 WeakPolarHBondContact O-CA 3.35Å; T321-S324 WeakPolarHBondContact O-CB 3.33Å; T321-S324 PolarHBondContact O-N 3.32Å; L322-S324 VanDerWaalsContact C-N 3.29Å; S324-S326 PolarHBondContact O-N 2.81Å; S324-I666 WeakPolarHBondContact O-CB 3.14Å; S324-R792 PolarHBondContact OG-NE 3.22Å; S324-R792 PolarHBondContact OG-NH2 3.06Å
325	T	96	Very high	90.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.			trans	-57.9	129.6	-179.7	-64.5	0	0	0	0	111.6	T321 L322 T327 I328 I566 A668 P791	T321-T325 PolarHBondContact O-N 3.39Å; T321-T325 PolarHBondContact O-OG1 2.83Å; T321-T325 VanDerWaalsContact O-OG1 3.09Å; L322-T325 WeakPolarHBondContact CA-OG1 3.32Å; L322-T325 WeakPolarHBondContact O-CB 3.45Å; L322-T325 PolarHBondContact O-N 2.99Å; L322-T325 PolarHBondContact O-OG1 3.02Å; T325-T327 VanDerWaalsContact CG2-O 3.29Å; T325-T327 WeakPolarHBondContact CG2-O 3.36Å; T325-I328 HydrophobicContact CG2-CG1 3.85Å; T325-I566 HydrophobicContact CG2-CG2 4.37Å; T325-A668 HydrophobicContact CG2-CB 3.61Å; T325-P791 WeakPolarHBondContact O-CB 3.34Å; T325-P791 WeakPolarHBondContact O-CG 3.21Å
326	S	95.6	Very high	91.4	Very high	23 Å²	23	6.5 Å²	6.5	16%	0.161	4%	0.036	C	C	.	.			trans	-111.4	-24.7	178.1	61.6	0	0	0	0	112.8	S324 K567 N665 I666	S324-S326 PolarHBondContact O-N 2.81Å; S326-K567 PolarHBondContact O-N 3.06Å; S326-N665 VanDerWaalsContact OG-CA 3.24Å; S326-N665 WeakPolarHBondContact OG-CA 3.43Å; S326-N665 VanDerWaalsContact OG-CB 3.25Å; S326-N665 WeakPolarHBondContact OG-CB 3.4Å; S326-I666 PolarHBondContact N-O 2.99Å; S326-I666 PolarHBondContact OG-N 2.87Å; S326-I666 PolarHBondContact OG-O 3.08Å; S326-I666 VanDerWaalsContact OG-O 3.07Å
327	T	96.7	Very high	91.7	Very high	1 Å²	1	5 Å²	5	1%	0.006	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133	176.6	-59.7	0	0	0	0	110.1	T325 K567 V569 I666 V667 A668	T325-T327 VanDerWaalsContact CG2-O 3.29Å; T325-T327 WeakPolarHBondContact CG2-O 3.36Å; T327-K567 CarbonylContact C-O 3.58Å; T327-K567 VanDerWaalsContact CA-O 3.22Å; T327-K567 WeakPolarHBondContact CA-O 3.23Å; T327-K567 HydrophobicContact CG2-CB 4.43Å; T327-V569 HydrophobicContact CG2-CG2 4.01Å; T327-I666 PolarHBondContact N-O 3.38Å; T327-I666 VanDerWaalsContact N-O 3.09Å; T327-V667 WeakPolarHBondContact O-CA 3.45Å; T327-A668 PolarHBondContact O-N 3.49Å
328	I	97.1	Very high	91.7	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.6	171.2	-63.4	166.9	0	0	0	108	T325 C561 I566 K567 V568 V569 A668 T670 F710 I713	T325-I328 HydrophobicContact CG2-CG1 3.85Å; I328-C561 HydrophobicContact CD1-CB 4.36Å; I328-I566 HydrophobicContact CD1-CG2 3.75Å; I328-I566 HydrophobicContact CG1-CG2 3.73Å; I328-K567 PolarHBondContact N-O 3.29Å; I328-V568 WeakPolarHBondContact O-CA 3.14Å; I328-V569 PolarHBondContact O-N 3.29Å; I328-A668 CarbonylContact C-O 3.58Å; I328-A668 WeakPolarHBondContact CA-O 3.11Å; I328-A668 HydrophobicContact CG1-CB 4.19Å; I328-T670 HydrophobicContact CG2-CG2 4.19Å; I328-F710 HydrophobicContact CG2-CZ 4.44Å; I328-I713 HydrophobicContact CD1-CG2 4.14Å
329	C	96.9	Very high	91.5	Very high	4 Å²	4	6 Å²	6	3%	0.027	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.7	169.3	-67	0	0	0	0	108.6	V569 V571 A668 V669 T670	C329-V569 CarbonylContact C-O 3.58Å; C329-V569 WeakPolarHBondContact CA-O 3.36Å; C329-V571 HydrophobicContact CB-CG2 4.17Å; C329-A668 PolarHBondContact N-O 3Å; C329-V669 HydrophobicContact CB-CG2 4.08Å; C329-V669 CarbonylContact O-C 3.54Å; C329-V669 VanDerWaalsContact O-CA 3.27Å; C329-V669 WeakPolarHBondContact O-CA 3.46Å; C329-T670 PolarHBondContact O-N 2.87Å
330	S	95.2	Very high	91.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.5	-171.5	-164.1	0	0	0	0	111.8	L336 V569 M570 V571 T670	S330-L336 WeakPolarHBondContact OG-CG 3.48Å; S330-V569 PolarHBondContact N-O 3.07Å; S330-M570 WeakPolarHBondContact O-CA 3.39Å; S330-V571 PolarHBondContact O-N 3.4Å; S330-T670 WeakPolarHBondContact CA-OG1 3.49Å; S330-T670 VanDerWaalsContact CB-OG1 3.25Å; S330-T670 WeakPolarHBondContact CB-OG1 3.42Å; S330-T670 PolarHBondContact OG-OG1 2.83Å
331	D	92.8	Very high	91.1	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	5%	0.051	C	C	.	.			trans	-67.7	153.9	164.9	-158.2	1.9	0	0	0	110.4	T335 L336 T572 K653 T670	D331-T335 WeakPolarHBondContact O-CB 3.41Å; D331-L336 WeakPolarHBondContact O-CG 3.13Å; D331-T572 PolarHBondContact OD1-OG1 3.46Å; D331-K653 IonicContact OD1-NZ 3.37Å; D331-K653 PolarHBondContact OD1-NZ 3.35Å; D331-K653 IonicContact OD2-NZ 2.74Å; D331-K653 PolarHBondContact OD2-NZ 2.91Å; D331-T670 PolarHBondContact N-O 3.32Å
332	K	90.6	Very high	91	Very high	5 Å²	5	10.3 Å²	10.3	2%	0.022	5%	0.054	C	C	.	.	I	π-helix	trans	-84.5	-61.7	178.4	-177.8	-141.4	60.4	127.7	0	110.3	G334 L336 T337 M570 T572 D574 V582	K332-G334 PolarHBondContact O-N 2.9Å; K332-L336 PolarHBondContact O-N 2.83Å; K332-T337 HydrophobicContact CG-CG2 3.99Å; K332-T337 PolarHBondContact O-N 2.96Å; K332-T337 PolarHBondContact O-OG1 3.39Å; K332-M570 HydrophobicContact CB-CE 4.28Å; K332-M570 HydrophobicContact CB-CG 4.35Å; K332-M570 HydrophobicContact CB-SD 4.09Å; K332-M570 HydrophobicContact CG-CE 4.12Å; K332-M570 HydrophobicContact CG-SD 4.23Å; K332-T572 HydrophobicContact CB-CG2 4.19Å; K332-D574 HydrophobicContact CD-CB 4.28Å; K332-D574 WeakPolarHBondContact CE-OD1 3.16Å; K332-D574 WeakPolarHBondContact CE-OD2 3.39Å; K332-D574 IonicContact NZ-OD1 3.14Å; K332-D574 PolarHBondContact NZ-OD1 3.14Å; K332-D574 IonicContact NZ-OD2 3.07Å; K332-D574 PolarHBondContact NZ-OD2 3.38Å; K332-V582 HydrophobicContact CD-CB 4.34Å; K332-V582 HydrophobicContact CD-CG1 4.45Å; K332-V582 HydrophobicContact CD-CG2 4.17Å; K332-V582 HydrophobicContact CG-CB 4.25Å; K332-V582 HydrophobicContact CG-CG1 3.88Å; K332-V582 HydrophobicContact CG-CG2 4.48Å
333	T	84.9	Confident	91	Very high	6 Å²	6	10.4 Å²	10.4	4%	0.037	6%	0.055	C	C	.	.	I	π-helix	trans	-67.4	130.7	-171.8	-55.4	0	0	0	0	109.9	G175 T335 T337 N339 D574	G175-T333 WeakPolarHBondContact O-CG2 3.35Å; T333-T335 PolarHBondContact O-N 2.85Å; T333-T337 WeakPolarHBondContact CA-OG1 3.46Å; T333-N339 HydrophobicContact CG2-CB 4.2Å; T333-D574 PolarHBondContact OG1-OD1 3.08Å
334	G	82.2	Confident	91	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	69	-17.1	177.3	0	0	0	0	0	116.6	K332 T337 R551 D672	K332-G334 PolarHBondContact O-N 2.9Å; G334-T337 CarbonylContact C-O 3.55Å; G334-T337 WeakPolarHBondContact CA-O 3.41Å; G334-T337 PolarHBondContact N-OG1 2.89Å; G334-R551 PolarHBondContact O-NH2 2.89Å; G334-D672 WeakPolarHBondContact CA-OD2 3.47Å
335	T	88.4	Confident	91	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-97.8	-70.5	177.6	-57.9	0	0	0	0	110.7	D331 T333 R551 T670 M689 F710	D331-T335 WeakPolarHBondContact O-CB 3.41Å; T333-T335 PolarHBondContact O-N 2.85Å; T335-R551 WeakPolarHBondContact O-CD 3.4Å; T335-R551 PolarHBondContact O-NE 2.94Å; T335-T670 WeakPolarHBondContact CG2-OG1 3.27Å; T335-M689 HydrophobicContact CG2-SD 4.34Å; T335-F710 HydrophobicContact CG2-CD2 4.48Å
336	L	91.6	Very high	90.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-78.8	-34.1	175.7	-64.7	172.1	0	0	0	111.9	S330 D331 K332 P550 R551 V554 M570 I588 F710	S330-L336 WeakPolarHBondContact OG-CG 3.48Å; D331-L336 WeakPolarHBondContact O-CG 3.13Å; K332-L336 PolarHBondContact O-N 2.83Å; L336-P550 WeakPolarHBondContact O-CA 3.29Å; L336-R551 PolarHBondContact O-N 3.19Å; L336-V554 HydrophobicContact CB-CG1 4.31Å; L336-V554 HydrophobicContact CD2-CG1 3.59Å; L336-M570 HydrophobicContact CD1-CE 3.7Å; L336-I588 HydrophobicContact CD1-CD1 3.86Å; L336-F710 HydrophobicContact CD2-CD2 4Å; L336-F710 HydrophobicContact CD2-CE2 3.76Å; L336-F710 HydrophobicContact CD2-CZ 4.11Å
337	T	90	Very high	90.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-100.8	169	177.9	65.4	0	0	0	0	111.9	K332 T333 G334 N339 D548 P549 R551 V582	K332-T337 HydrophobicContact CG-CG2 3.99Å; K332-T337 PolarHBondContact O-N 2.96Å; K332-T337 PolarHBondContact O-OG1 3.39Å; T333-T337 WeakPolarHBondContact CA-OG1 3.46Å; G334-T337 CarbonylContact C-O 3.55Å; G334-T337 WeakPolarHBondContact CA-O 3.41Å; G334-T337 PolarHBondContact N-OG1 2.89Å; T337-N339 VanDerWaalsContact C-N 3.26Å; T337-N339 PolarHBondContact O-N 3.33Å; T337-D548 VanDerWaalsContact CB-CG 3.46Å; T337-D548 WeakPolarHBondContact CB-OD2 3.22Å; T337-D548 WeakPolarHBondContact CG2-O 3.41Å; T337-D548 VanDerWaalsContact OG1-CG 3.32Å; T337-D548 PolarHBondContact OG1-OD2 2.9Å; T337-P549 VanDerWaalsContact CA-O 3.31Å; T337-P549 WeakPolarHBondContact CA-O 3.16Å; T337-P549 WeakPolarHBondContact CB-O 3.37Å; T337-R551 PolarHBondContact O-NE 3.4Å; T337-V582 HydrophobicContact CG2-CG1 3.85Å; T337-V582 HydrophobicContact CG2-CG2 4.43Å
338	Q	86	Confident	90.6	Very high	19 Å²	19	11.7 Å²	11.7	9%	0.089	6%	0.057	C	C	.	.			trans	-81.1	-4.5	-176.6	-62.5	175	33.1	0	0	113.2	R340 T357 E359 D548 P549 P550 R551	Q338-R340 HydrophobicContact CB-CB 4.49Å; Q338-R340 PolarHBondContact O-N 3.36Å; Q338-T357 PolarHBondContact NE2-O 2.79Å; Q338-T357 VanDerWaalsContact NE2-O 3.16Å; Q338-E359 VanDerWaalsContact CD-CG 3.43Å; Q338-E359 HydrophobicContact CG-CG 4.16Å; Q338-E359 VanDerWaalsContact OE1-CG 3.24Å; Q338-D548 PolarHBondContact N-OD1 3.35Å; Q338-P549 HydrophobicContact CG-CG 4.48Å; Q338-P549 PolarHBondContact N-O 3.21Å; Q338-P550 PolarHBondContact NE2-O 3.26Å; Q338-R551 HydrophobicContact CG-CB 4.5Å; Q338-R551 HydrophobicContact CG-CG 3.84Å
339	N	82.7	Confident	90.4	Very high	58 Å²	58	12.8 Å²	12.8	31%	0.31	6%	0.063	S	C	.	.	S	Bend	trans	49.9	43.7	-169.4	-165.8	5	0	0	0	111.5	S177 T333 T337 D548	S177-N339 PolarHBondContact OG-OD1 2.84Å; T333-N339 HydrophobicContact CG2-CB 4.2Å; T337-N339 VanDerWaalsContact C-N 3.26Å; T337-N339 PolarHBondContact O-N 3.33Å; N339-D548 WeakPolarHBondContact CA-OD1 3.4Å; N339-D548 WeakPolarHBondContact CA-OD2 3.44Å; N339-D548 PolarHBondContact N-OD1 2.84Å; N339-D548 PolarHBondContact N-OD2 2.83Å
340	R	84.7	Confident	90	Very high	41 Å²	41	16.2 Å²	16.2	16%	0.155	8%	0.081	C	C	.	.	S	Bend	trans	-148.2	111	-179.4	-173.8	-176.6	69.5	-136.5	-11.6	110.8	Q338 T342 L398 D548 P549	Q338-R340 HydrophobicContact CB-CB 4.49Å; Q338-R340 PolarHBondContact O-N 3.36Å; R340-T342 PolarHBondContact O-N 3.43Å; R340-T342 PolarHBondContact O-OG1 2.88Å; R340-L398 WeakPolarHBondContact CD-O 3.43Å; R340-L398 PolarHBondContact NH1-O 2.64Å; R340-D548 PolarHBondContact N-OD1 3.13Å; R340-P549 WeakPolarHBondContact O-CD 3.3Å
341	M	89.1	Confident	89.7	Confident	38 Å²	38	19 Å²	19	19%	0.187	10%	0.1	C	C	.	.			trans	-54.5	124	171.2	-161.8	62.3	66.7	0	0	110.5	A406 A410 M546 M547	M341-A406 HydrophobicContact CB-CB 4.04Å; M341-A410 HydrophobicContact CB-CB 4.19Å; M341-A410 HydrophobicContact CG-CB 4.04Å; M341-A410 WeakPolarHBondContact O-CB 3.44Å; M341-M546 HydrophobicContact CG-CB 3.95Å; M341-M546 HydrophobicContact CG-CG 3.77Å; M341-M546 HydrophobicContact CG-SD 3.74Å; M341-M546 HydrophobicContact SD-CB 3.95Å; M341-M546 HydrophobicContact SD-CG 3.71Å; M341-M546 HydrophobicContact SD-SD 4.38Å; M341-M547 VanDerWaalsContact SD-C 3.5Å
342	T	91.4	Very high	89.6	Confident	11 Å²	11	21.8 Å²	21.8	7%	0.067	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	139.6	-174.3	-54.8	0	0	0	0	108.7	R340 S344 M546 M547	R340-T342 PolarHBondContact O-N 3.43Å; R340-T342 PolarHBondContact O-OG1 2.88Å; T342-S344 PolarHBondContact O-N 2.98Å; T342-M546 CarbonylContact O-C 3.57Å; T342-M546 VanDerWaalsContact O-CA 3.22Å; T342-M546 WeakPolarHBondContact O-CA 2.95Å; T342-M546 WeakPolarHBondContact O-CB 3.41Å; T342-M547 PolarHBondContact N-O 2.91Å; T342-M547 PolarHBondContact O-N 3.16Å
343	V	93.3	Very high	89.6	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	129.5	176.9	177.5	0	0	0	0	109.1	A355 L411 F414 M544 S545	V343-A355 HydrophobicContact CG1-CB 4.46Å; V343-A355 WeakPolarHBondContact O-CB 3.4Å; V343-L411 HydrophobicContact CG2-CD2 4.03Å; V343-F414 HydrophobicContact CB-CB 3.98Å; V343-F414 HydrophobicContact CB-CD1 4.18Å; V343-F414 HydrophobicContact CB-CD2 3.94Å; V343-F414 HydrophobicContact CB-CE2 4.49Å; V343-F414 HydrophobicContact CB-CG 3.77Å; V343-F414 HydrophobicContact CG1-CD1 3.96Å; V343-F414 HydrophobicContact CG1-CD2 4.21Å; V343-F414 HydrophobicContact CG1-CE1 4.07Å; V343-F414 HydrophobicContact CG1-CE2 4.32Å; V343-F414 HydrophobicContact CG1-CG 4.03Å; V343-F414 HydrophobicContact CG1-CZ 4.26Å; V343-F414 HydrophobicContact CG2-CB 3.65Å; V343-F414 HydrophobicContact CG2-CD1 4.19Å; V343-F414 HydrophobicContact CG2-CG 3.89Å; V343-M544 HydrophobicContact CG1-CB 4.41Å; V343-M544 HydrophobicContact CG1-SD 4.38Å; V343-S545 WeakPolarHBondContact CA-O 3.36Å
344	S	92.2	Very high	89.9	Confident	6 Å²	6	29.1 Å²	29.1	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-52.5	-173.1	-177	0	0	0	0	111.4	T342 A355 E505 S545	T342-S344 PolarHBondContact O-N 2.98Å; S344-A355 WeakPolarHBondContact O-CB 3.36Å; S344-A355 PolarHBondContact O-N 3.27Å; S344-E505 WeakPolarHBondContact CB-OE1 3.47Å; S344-E505 PolarHBondContact OG-OE1 3.13Å; S344-S545 PolarHBondContact N-O 3.25Å
345	H	93.3	Very high	90.2	Very high	29 Å²	29	29.4 Å²	29.4	13%	0.134	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151.8	173.8	-56.9	86.9	0	0	0	111.9	T352 L353 L354 F500 E505 M544 S545	H345-T352 HydrophobicContact CB-CG2 4Å; H345-L353 CarbonylContact C-O 3.6Å; H345-L353 VanDerWaalsContact CA-O 3.29Å; H345-L353 WeakPolarHBondContact CA-O 3.45Å; H345-L354 WeakPolarHBondContact NE2-CD1 3.49Å; H345-F500 HydrophobicContact CB-CD1 4.01Å; H345-F500 HydrophobicContact CB-CE1 3.45Å; H345-F500 VanDerWaalsContact CB-CE1 3.45Å; H345-F500 HydrophobicContact CB-CZ 3.79Å; H345-F500 AromaticContact CG-CE1 3.79Å; H345-E505 IonicContact CE1-OE1 2.65Å; H345-E505 PolarHBondContact CE1-OE1 2.9Å; H345-E505 IonicContact CE1-OE2 3.94Å; H345-E505 IonicContact CG-OE2 3.07Å; H345-E505 VanDerWaalsContact ND1-CD 3.29Å; H345-E505 IonicContact ND1-OE1 3.2Å; H345-E505 PolarHBondContact ND1-OE1 2.83Å; H345-E505 IonicContact ND1-OE2 3.75Å; H345-E505 PolarHBondContact ND1-OE2 2.92Å; H345-M544 CarbonylContact O-C 3.58Å; H345-M544 WeakPolarHBondContact O-CA 3.13Å; H345-S545 WeakPolarHBondContact CA-OG 3.07Å; H345-S545 VanDerWaalsContact CB-OG 3.29Å; H345-S545 WeakPolarHBondContact CB-OG 3.47Å; H345-S545 PolarHBondContact N-OG 2.9Å; H345-S545 PolarHBondContact O-N 3.19Å; H345-S545 PolarHBondContact O-OG 2.87Å
346	A	93.4	Very high	90.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.8	166.3	0	0	0	0	0	109.5	Y348 L353 L376 L543 M544	A346-Y348 HydrophobicContact CB-CD1 4.43Å; A346-L353 HydrophobicContact CB-CB 4.43Å; A346-L353 PolarHBondContact N-O 2.82Å; A346-L353 PolarHBondContact O-N 2.71Å; A346-L376 HydrophobicContact CB-CD2 4.33Å; A346-L543 CarbonylContact C-O 3.5Å; A346-L543 WeakPolarHBondContact CA-O 3.23Å; A346-M544 HydrophobicContact CB-CG 4.26Å
347	W	94.9	Very high	89.9	Confident	11 Å²	11	32 Å²	32	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.3	177.4	-177.4	83.1	0	0	0	110.4	N350 S351 A492 F493 A496 F500 F540 G542 L543	W347-N350 WeakPolarHBondContact CZ2-OD1 3.27Å; W347-S351 WeakPolarHBondContact CA-O 3.41Å; W347-A492 HydrophobicContact CZ2-CB 4.33Å; W347-F493 HydrophobicContact CH2-CB 4.02Å; W347-F493 HydrophobicContact CZ3-CB 4.24Å; W347-F493 HydrophobicContact CZ3-CD2 4.12Å; W347-A496 HydrophobicContact CD2-CB 4.14Å; W347-A496 HydrophobicContact CG-CB 3.94Å; W347-F500 HydrophobicContact CB-CE2 3.78Å; W347-F500 HydrophobicContact CB-CZ 3.92Å; W347-F540 HydrophobicContact CE3-CE1 4.02Å; W347-F540 HydrophobicContact CE3-CZ 4.45Å; W347-F540 HydrophobicContact CZ3-CD1 4.42Å; W347-F540 AromaticContact CZ3-CE1 3.52Å; W347-F540 HydrophobicContact CZ3-CE1 3.52Å; W347-F540 HydrophobicContact CZ3-CZ 4.13Å; W347-G542 CarbonylContact O-C 3.59Å; W347-G542 WeakPolarHBondContact O-CA 3.47Å; W347-L543 HydrophobicContact CB-CB 4.05Å; W347-L543 HydrophobicContact CE3-CD1 4.19Å; W347-L543 HydrophobicContact CE3-CG 4.09Å; W347-L543 PolarHBondContact N-O 2.93Å; W347-L543 PolarHBondContact O-N 3.15Å
348	Y	92.7	Very high	89.6	Confident	11 Å²	11	33.2 Å²	33.2	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	158.8	176.3	65.9	-86.2	0	0	0	109.5	A346 N350 S351 L353 Q370 T372 F373 L376	A346-Y348 HydrophobicContact CB-CD1 4.43Å; Y348-N350 PolarHBondContact O-N 2.9Å; Y348-N350 VanDerWaalsContact O-N 3.1Å; Y348-S351 PolarHBondContact N-O 3.15Å; Y348-S351 PolarHBondContact O-N 2.83Å; Y348-S351 PolarHBondContact O-OG 2.78Å; Y348-L353 HydrophobicContact CE1-CB 3.95Å; Y348-L353 HydrophobicContact CE1-CD2 4.07Å; Y348-Q370 PolarHBondContact OH-OE1 3.44Å; Y348-T372 HydrophobicContact CD2-CG2 4.08Å; Y348-T372 HydrophobicContact CG-CG2 4.42Å; Y348-F373 HydrophobicContact CD1-CD2 4.38Å; Y348-F373 HydrophobicContact CE1-CB 4.44Å; Y348-F373 AromaticContact CE1-CD2 3.67Å; Y348-F373 HydrophobicContact CE1-CD2 3.67Å; Y348-F373 HydrophobicContact CE1-CE2 4.47Å; Y348-F373 HydrophobicContact CE1-CG 4.5Å; Y348-F373 HydrophobicContact CE2-CB 4Å; Y348-F373 AromaticContact CZ-CD2 3.84Å; Y348-L376 HydrophobicContact CD1-CD2 4.21Å
349	D	91.9	Very high	89.2	Confident	24 Å²	24	34.7 Å²	34.7	13%	0.128	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	31.5	-176.3	-61.8	-25.4	0	0	0	114	S351 T372 L478 N479	D349-S351 PolarHBondContact O-N 2.75Å; D349-T372 WeakPolarHBondContact OD1-CB 3.48Å; D349-T372 WeakPolarHBondContact OD1-CG2 3.29Å; D349-T372 PolarHBondContact OD1-OG1 3.1Å; D349-T372 WeakPolarHBondContact OD2-CB 2.89Å; D349-T372 PolarHBondContact OD2-OG1 3.19Å; D349-T372 VanDerWaalsContact OD2-OG1 3.14Å; D349-L478 WeakPolarHBondContact OD1-CA 3.41Å; D349-N479 PolarHBondContact OD1-N 3.43Å
350	N	87.9	Confident	89	Confident	76 Å²	76	37.4 Å²	37.4	41%	0.406	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	28.3	-171.9	-66.3	-17.4	0	0	0	114.3	W347 Y348	W347-N350 WeakPolarHBondContact CZ2-OD1 3.27Å; Y348-N350 PolarHBondContact O-N 2.9Å; Y348-N350 VanDerWaalsContact O-N 3.1Å
351	S	90.4	Very high	88.6	Confident	57 Å²	57	37.3 Å²	37.3	40%	0.399	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.9	177.9	69	0	0	0	0	111.1	W347 Y348 D349	W347-S351 WeakPolarHBondContact CA-O 3.41Å; Y348-S351 PolarHBondContact N-O 3.15Å; Y348-S351 PolarHBondContact O-N 2.83Å; Y348-S351 PolarHBondContact O-OG 2.78Å; D349-S351 PolarHBondContact O-N 2.75Å
352	T	90.8	Very high	87.6	Confident	63 Å²	63	43.1 Å²	43.1	39%	0.387	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.7	177	-60.7	0	0	0	0	109.6	H345 F500	H345-T352 HydrophobicContact CB-CG2 4Å; T352-F500 HydrophobicContact CG2-CE1 3.66Å; T352-F500 HydrophobicContact CG2-CZ 3.78Å
353	L	90.7	Very high	86.6	Confident	44 Å²	44	51.4 Å²	51.4	23%	0.23	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.2	171	176.6	73.5	0	0	0	109.2	H345 A346 Y348 Y366 F373	H345-L353 CarbonylContact C-O 3.6Å; H345-L353 VanDerWaalsContact CA-O 3.29Å; H345-L353 WeakPolarHBondContact CA-O 3.45Å; A346-L353 HydrophobicContact CB-CB 4.43Å; A346-L353 PolarHBondContact N-O 2.82Å; A346-L353 PolarHBondContact O-N 2.71Å; Y348-L353 HydrophobicContact CE1-CB 3.95Å; Y348-L353 HydrophobicContact CE1-CD2 4.07Å; L353-Y366 HydrophobicContact CD2-CD1 4.01Å; L353-Y366 HydrophobicContact CD2-CE1 4.4Å; L353-F373 HydrophobicContact CD2-CD2 4.14Å; L353-F373 HydrophobicContact CD2-CE2 3.6Å; L353-F373 HydrophobicContact CD2-CZ 4.37Å
354	L	89.8	Confident	85.2	Confident	121 Å²	121	52.6 Å²	52.6	63%	0.634	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.7	171.1	-178.9	70.2	0	0	0	109.7	H345	H345-L354 WeakPolarHBondContact NE2-CD1 3.49Å
355	A	88.7	Confident	84.2	Confident	6 Å²	6	64 Å²	64	5%	0.05	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-79.1	152.8	173.9	0	0	0	0	0	111.3	V343 S344 T357 F414	V343-A355 HydrophobicContact CG1-CB 4.46Å; V343-A355 WeakPolarHBondContact O-CB 3.4Å; S344-A355 WeakPolarHBondContact O-CB 3.36Å; S344-A355 PolarHBondContact O-N 3.27Å; A355-T357 PolarHBondContact O-N 2.73Å; A355-F414 HydrophobicContact CB-CD2 4.4Å; A355-F414 HydrophobicContact CB-CE2 3.58Å; A355-F414 HydrophobicContact CB-CZ 4.07Å
356	D	88.2	Confident	83.6	Confident	17 Å²	17	64.2 Å²	64.2	9%	0.091	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-75.1	116.1	170.9	-170.4	-11.6	0	0	0	109.7	S358 Q361 E362 K363 G364 Y366	D356-S358 WeakPolarHBondContact OD1-CB 3.48Å; D356-S358 PolarHBondContact OD1-N 3.37Å; D356-S358 PolarHBondContact OD1-OG 3.16Å; D356-S358 PolarHBondContact OD2-OG 3.35Å; D356-Q361 PolarHBondContact O-NE2 3.42Å; D356-Q361 PolarHBondContact O-OE1 2.85Å; D356-Q361 WeakPolarHBondContact OD2-CA 3.18Å; D356-E362 PolarHBondContact OD2-N 2.82Å; D356-E362 VanDerWaalsContact OD2-N 3.07Å; D356-K363 HydrophobicContact CB-CB 4.41Å; D356-K363 WeakPolarHBondContact OD2-CA 3.48Å; D356-K363 WeakPolarHBondContact OD2-CB 3.38Å; D356-K363 PolarHBondContact OD2-N 2.76Å; D356-G364 PolarHBondContact OD2-N 2.92Å; D356-Y366 PolarHBondContact N-OH 3.49Å
357	T	86.4	Confident	83	Confident	38 Å²	38	68 Å²	68	23%	0.233	34%	0.341	C	S	.	.			trans	-99.5	0	179.6	56.3	0	0	0	0	113.2	Q338 A355 P549	Q338-T357 PolarHBondContact NE2-O 2.79Å; Q338-T357 VanDerWaalsContact NE2-O 3.16Å; A355-T357 PolarHBondContact O-N 2.73Å; T357-P549 HydrophobicContact CG2-CB 4.31Å
358	S	82.6	Confident	82.3	Confident	26 Å²	26	71.7 Å²	71.7	18%	0.182	36%	0.361	C	S	.	.	S	Bend	trans	-70.8	151.1	179.8	72.2	0	0	0	0	112	D356 N360 Q361	D356-S358 WeakPolarHBondContact OD1-CB 3.48Å; D356-S358 PolarHBondContact OD1-N 3.37Å; D356-S358 PolarHBondContact OD1-OG 3.16Å; D356-S358 PolarHBondContact OD2-OG 3.35Å; S358-N360 PolarHBondContact O-N 2.93Å; S358-Q361 PolarHBondContact O-N 3.18Å; S358-Q361 PolarHBondContact O-NE2 3.27Å; S358-Q361 PolarHBondContact OG-N 3.39Å; S358-Q361 VanDerWaalsContact OG-N 3.13Å
359	E	78.9	Confident	82	Confident	50 Å²	50	75.5 Å²	75.5	23%	0.234	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-26	177.8	-65.5	-178	-158.6	0	0	113.3	Q338 R551	Q338-E359 VanDerWaalsContact CD-CG 3.43Å; Q338-E359 HydrophobicContact CG-CG 4.16Å; Q338-E359 VanDerWaalsContact OE1-CG 3.24Å; E359-R551 IonicContact OE1-NH1 3.36Å
360	N	77.1	Confident	81.8	Confident	115 Å²	115	77.3 Å²	77.3	62%	0.615	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-12.9	-173.8	-65.3	-11.8	0	0	0	114	S358 E362	S358-N360 PolarHBondContact O-N 2.93Å; N360-E362 HydrophobicContact CB-CG 4.18Å; N360-E362 PolarHBondContact O-N 3.3Å
361	Q	76.7	Confident	81.9	Confident	38 Å²	38	77.1 Å²	77.1	18%	0.178	40%	0.4	C	S	.	.			trans	56.5	41	177.4	-63.2	-68.7	-62.4	0	0	114.8	D356 S358 K363 L398 L417	D356-Q361 PolarHBondContact O-NE2 3.42Å; D356-Q361 PolarHBondContact O-OE1 2.85Å; D356-Q361 WeakPolarHBondContact OD2-CA 3.18Å; S358-Q361 PolarHBondContact O-N 3.18Å; S358-Q361 PolarHBondContact O-NE2 3.27Å; S358-Q361 PolarHBondContact OG-N 3.39Å; S358-Q361 VanDerWaalsContact OG-N 3.13Å; Q361-K363 VanDerWaalsContact C-N 3.34Å; Q361-K363 PolarHBondContact O-N 3.45Å; Q361-L398 HydrophobicContact CG-CD1 3.62Å; Q361-L398 HydrophobicContact CG-CG 4.44Å; Q361-L417 HydrophobicContact CG-CD1 4.13Å; Q361-L417 HydrophobicContact CG-CD2 4.31Å
362	E	68.7	Low	82	Confident	161 Å²	161	74.4 Å²	74.4	75%	0.752	38%	0.381	S	S	*	.	S	Bend	trans	-71.3	-24.5	-177	-67.1	-178	-176.3	0	0	114.1	D356 N360	D356-E362 PolarHBondContact OD2-N 2.82Å; D356-E362 VanDerWaalsContact OD2-N 3.07Å; N360-E362 HydrophobicContact CB-CG 4.18Å; N360-E362 PolarHBondContact O-N 3.3Å
363	K	69.7	Low	82.1	Confident	185 Å²	185	71.4 Å²	71.4	80%	0.804	36%	0.363	S	S	*	.	S	Bend	trans	-104.7	-9.3	-173.5	-62.9	-178.9	-179.3	176.7	0	113.8	D356 Q361 R365	D356-K363 HydrophobicContact CB-CB 4.41Å; D356-K363 WeakPolarHBondContact OD2-CA 3.48Å; D356-K363 WeakPolarHBondContact OD2-CB 3.38Å; D356-K363 PolarHBondContact OD2-N 2.76Å; Q361-K363 VanDerWaalsContact C-N 3.34Å; Q361-K363 PolarHBondContact O-N 3.45Å; K363-R365 VanDerWaalsContact C-N 3.32Å; K363-R365 PolarHBondContact O-N 3.03Å
364	G	64	Low	82.1	Confident	26 Å²	26	71.5 Å²	71.5	27%	0.268	37%	0.365	S	S	.	.			trans	-74.1	64.3	-170.7	0	0	0	0	0	115.8	D356	D356-G364 PolarHBondContact OD2-N 2.92Å
365	R	71.6	Confident	82.3	Confident	244 Å²	244	66.1 Å²	66.1	92%	0.921	34%	0.338	S	S	*	.			trans	-101.6	109.2	168.1	-68.9	-172.5	-178.1	-178.7	1.6	110.3	K363	K363-R365 VanDerWaalsContact C-N 3.32Å; K363-R365 PolarHBondContact O-N 3.03Å
366	Y	81.4	Confident	82.6	Confident	34 Å²	34	65.8 Å²	65.8	13%	0.133	34%	0.335	C	S	.	.			trans	-100.6	141.3	-179.4	-52	-72	0	0	0	111.3	L353 D356 L368 F373 F414 A418	L353-Y366 HydrophobicContact CD2-CD1 4.01Å; L353-Y366 HydrophobicContact CD2-CE1 4.4Å; D356-Y366 PolarHBondContact N-OH 3.49Å; Y366-L368 PolarHBondContact O-N 3.15Å; Y366-F373 HydrophobicContact CD1-CZ 4.28Å; Y366-F373 HydrophobicContact CG-CZ 4.11Å; Y366-F414 HydrophobicContact CE1-CE2 4Å; Y366-F414 HydrophobicContact CE1-CZ 4.06Å; Y366-F414 HydrophobicContact CE2-CE2 4.2Å; Y366-F414 AromaticContact CZ-CE2 3.62Å; Y366-F414 WeakPolarHBondContact OH-CE2 3.3Å; Y366-A418 HydrophobicContact CD2-CB 3.58Å; Y366-A418 HydrophobicContact CE2-CB 4Å; Y366-A418 HydrophobicContact CG-CB 4.2Å
367	D	79.3	Confident	82.9	Confident	82 Å²	82	65 Å²	65	44%	0.439	33%	0.331	S	S	.	.			trans	-82.8	96.8	179.6	-174.3	4	0	0	0	111.2	S369 Q370	D367-S369 PolarHBondContact O-N 3.05Å; D367-S369 WeakPolarHBondContact OD1-CB 3.26Å; D367-S369 PolarHBondContact OD1-N 3.31Å; D367-S369 PolarHBondContact OD1-OG 3.13Å; D367-S369 PolarHBondContact OD2-OG 2.99Å; D367-S369 VanDerWaalsContact OD2-OG 3.08Å; D367-Q370 PolarHBondContact O-N 3.21Å
368	L	81.8	Confident	83.2	Confident	87 Å²	87	67.1 Å²	67.1	46%	0.455	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-2	177.3	-62.7	177.2	0	0	0	113.8	Y366 Q370 F373 V374 V419	Y366-L368 PolarHBondContact O-N 3.15Å; L368-Q370 VanDerWaalsContact C-N 3.31Å; L368-F373 HydrophobicContact CD2-CD1 4.37Å; L368-F373 HydrophobicContact CD2-CE1 4.09Å; L368-V374 WeakPolarHBondContact O-CG2 3.44Å; L368-V419 HydrophobicContact CD2-CG2 3.95Å
369	S	85	Confident	83.8	Confident	91 Å²	91	65.9 Å²	65.9	64%	0.636	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-20	174.2	77.1	0	0	0	0	112.8	D367 P371	D367-S369 PolarHBondContact O-N 3.05Å; D367-S369 WeakPolarHBondContact OD1-CB 3.26Å; D367-S369 PolarHBondContact OD1-N 3.31Å; D367-S369 PolarHBondContact OD1-OG 3.13Å; D367-S369 PolarHBondContact OD2-OG 2.99Å; D367-S369 VanDerWaalsContact OD2-OG 3.08Å; S369-P371 WeakPolarHBondContact O-CD 3.38Å
370	Q	88.2	Confident	84.6	Confident	62 Å²	62	63.5 Å²	63.5	29%	0.29	32%	0.315	S	S	.	.			trans	-78.4	114.2	-177.9	-67.6	-173.6	-7.8	0	0	111.2	Y348 D367 L368 T372 F373 V374	Y348-Q370 PolarHBondContact OH-OE1 3.44Å; D367-Q370 PolarHBondContact O-N 3.21Å; L368-Q370 VanDerWaalsContact C-N 3.31Å; Q370-T372 VanDerWaalsContact C-N 3.32Å; Q370-T372 PolarHBondContact O-N 3.35Å; Q370-F373 HydrophobicContact CB-CB 4.03Å; Q370-F373 PolarHBondContact O-N 3.19Å; Q370-V374 PolarHBondContact O-N 2.84Å; Q370-V374 VanDerWaalsContact O-N 3.16Å
371	P	90.2	Very high	85.4	Confident	73 Å²	73	58 Å²	58	47%	0.474	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-34.6	-173.8	25.3	-34.7	0	0	0	112.8	S369 V374 A375	S369-P371 WeakPolarHBondContact O-CD 3.38Å; P371-V374 PolarHBondContact O-N 3.46Å; P371-A375 WeakPolarHBondContact O-CB 3.24Å; P371-A375 PolarHBondContact O-N 3.27Å
372	T	92.6	Very high	86.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-43.2	177.3	-46.6	0	0	0	0	111.1	Y348 D349 Q370 A375 L376 L477 N479 G480 I541	Y348-T372 HydrophobicContact CD2-CG2 4.08Å; Y348-T372 HydrophobicContact CG-CG2 4.42Å; D349-T372 WeakPolarHBondContact OD1-CB 3.48Å; D349-T372 WeakPolarHBondContact OD1-CG2 3.29Å; D349-T372 PolarHBondContact OD1-OG1 3.1Å; D349-T372 WeakPolarHBondContact OD2-CB 2.89Å; D349-T372 PolarHBondContact OD2-OG1 3.19Å; D349-T372 VanDerWaalsContact OD2-OG1 3.14Å; Q370-T372 VanDerWaalsContact C-N 3.32Å; Q370-T372 PolarHBondContact O-N 3.35Å; T372-A375 PolarHBondContact O-N 3Å; T372-L376 WeakPolarHBondContact O-CB 3.31Å; T372-L376 PolarHBondContact O-N 3.16Å; T372-L477 HydrophobicContact CG2-CB 4.42Å; T372-L477 HydrophobicContact CG2-CD2 4.1Å; T372-L477 HydrophobicContact CG2-CG 4.28Å; T372-N479 PolarHBondContact OG1-N 3.36Å; T372-G480 PolarHBondContact OG1-N 2.8Å; T372-I541 HydrophobicContact CG2-CG2 4.21Å
373	F	92.3	Very high	87.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-45.5	176.4	-177.9	-105.9	0	0	0	111.6	Y348 L353 Y366 L368 Q370 A375 L376 M377 A418	Y348-F373 HydrophobicContact CD1-CD2 4.38Å; Y348-F373 HydrophobicContact CE1-CB 4.44Å; Y348-F373 AromaticContact CE1-CD2 3.67Å; Y348-F373 HydrophobicContact CE1-CD2 3.67Å; Y348-F373 HydrophobicContact CE1-CE2 4.47Å; Y348-F373 HydrophobicContact CE1-CG 4.5Å; Y348-F373 HydrophobicContact CE2-CB 4Å; Y348-F373 AromaticContact CZ-CD2 3.84Å; L353-F373 HydrophobicContact CD2-CD2 4.14Å; L353-F373 HydrophobicContact CD2-CE2 3.6Å; L353-F373 HydrophobicContact CD2-CZ 4.37Å; Y366-F373 HydrophobicContact CD1-CZ 4.28Å; Y366-F373 HydrophobicContact CG-CZ 4.11Å; L368-F373 HydrophobicContact CD2-CD1 4.37Å; L368-F373 HydrophobicContact CD2-CE1 4.09Å; Q370-F373 HydrophobicContact CB-CB 4.03Å; Q370-F373 PolarHBondContact O-N 3.19Å; F373-A375 VanDerWaalsContact C-N 3.33Å; F373-A375 PolarHBondContact O-N 3.18Å; F373-L376 WeakPolarHBondContact O-CB 3.45Å; F373-L376 PolarHBondContact O-N 3.31Å; F373-M377 HydrophobicContact CD1-CG 4.17Å; F373-M377 HydrophobicContact CD2-CE 4.15Å; F373-M377 HydrophobicContact CE1-CG 3.78Å; F373-M377 HydrophobicContact CE1-SD 4.4Å; F373-M377 HydrophobicContact CE2-CE 3.63Å; F373-M377 HydrophobicContact CE2-CG 4.27Å; F373-M377 HydrophobicContact CE2-SD 4.2Å; F373-M377 HydrophobicContact CZ-CE 3.94Å; F373-M377 HydrophobicContact CZ-CG 3.83Å; F373-M377 HydrophobicContact CZ-SD 3.87Å; F373-M377 WeakPolarHBondContact O-CG 3.48Å; F373-M377 PolarHBondContact O-N 3.43Å; F373-A418 HydrophobicContact CZ-CB 4.28Å
374	V	92.2	Very high	88.5	Confident	45 Å²	45	40 Å²	40	27%	0.273	21%	0.205	S	C	.	.	H	α-helix	trans	-62.9	-39.6	177.1	176.1	0	0	0	0	111.7	L368 Q370 P371 R378	L368-V374 WeakPolarHBondContact O-CG2 3.44Å; Q370-V374 PolarHBondContact O-N 2.84Å; Q370-V374 VanDerWaalsContact O-N 3.16Å; P371-V374 PolarHBondContact O-N 3.46Å; V374-R378 WeakPolarHBondContact O-CB 3.25Å; V374-R378 PolarHBondContact O-N 3.43Å
375	A	92.8	Very high	89.8	Confident	8 Å²	8	44.2 Å²	44.2	7%	0.066	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-44.5	174.1	0	0	0	0	0	111.2	P371 T372 F373 M377 R378 I379 L477 I541	P371-A375 WeakPolarHBondContact O-CB 3.24Å; P371-A375 PolarHBondContact O-N 3.27Å; T372-A375 PolarHBondContact O-N 3Å; F373-A375 VanDerWaalsContact C-N 3.33Å; F373-A375 PolarHBondContact O-N 3.18Å; A375-M377 PolarHBondContact O-N 2.94Å; A375-R378 WeakPolarHBondContact O-CB 3.38Å; A375-R378 PolarHBondContact O-N 3.41Å; A375-I379 WeakPolarHBondContact O-CG1 3.47Å; A375-I379 PolarHBondContact O-N 3.18Å; A375-I379 VanDerWaalsContact O-N 3.09Å; A375-L477 HydrophobicContact CB-CD2 4.07Å; A375-I541 HydrophobicContact CB-CG2 4.21Å
376	L	94.7	Very high	90.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-46.4	177.9	-174.6	61.2	0	0	0	111.8	A346 Y348 T372 F373 R378 I379 A380 F510 I541 M544	A346-L376 HydrophobicContact CB-CD2 4.33Å; Y348-L376 HydrophobicContact CD1-CD2 4.21Å; T372-L376 WeakPolarHBondContact O-CB 3.31Å; T372-L376 PolarHBondContact O-N 3.16Å; F373-L376 WeakPolarHBondContact O-CB 3.45Å; F373-L376 PolarHBondContact O-N 3.31Å; L376-R378 VanDerWaalsContact C-N 3.28Å; L376-R378 PolarHBondContact O-N 2.93Å; L376-I379 PolarHBondContact O-N 3.42Å; L376-A380 PolarHBondContact O-N 3.05Å; L376-F510 HydrophobicContact CD1-CB 3.61Å; L376-F510 HydrophobicContact CD1-CD2 3.83Å; L376-F510 HydrophobicContact CD1-CG 3.79Å; L376-I541 HydrophobicContact CB-CG2 3.73Å; L376-I541 HydrophobicContact CD1-CB 4.49Å; L376-I541 HydrophobicContact CD1-CG2 4.07Å; L376-I541 HydrophobicContact CG-CG2 4.46Å; L376-M544 HydrophobicContact CD1-CE 3.96Å; L376-M544 HydrophobicContact CD2-CE 3.84Å; L376-M544 HydrophobicContact CD2-CG 4.34Å; L376-M544 HydrophobicContact CG-CE 3.44Å; L376-M544 VanDerWaalsContact CG-CE 3.44Å
377	M	94.2	Very high	91.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-36.8	176.2	-68.6	-54.8	102.6	0	0	112	F373 A375 A380 G381 F414 V415 A418 V419 M544	F373-M377 HydrophobicContact CD1-CG 4.17Å; F373-M377 HydrophobicContact CD2-CE 4.15Å; F373-M377 HydrophobicContact CE1-CG 3.78Å; F373-M377 HydrophobicContact CE1-SD 4.4Å; F373-M377 HydrophobicContact CE2-CE 3.63Å; F373-M377 HydrophobicContact CE2-CG 4.27Å; F373-M377 HydrophobicContact CE2-SD 4.2Å; F373-M377 HydrophobicContact CZ-CE 3.94Å; F373-M377 HydrophobicContact CZ-CG 3.83Å; F373-M377 HydrophobicContact CZ-SD 3.87Å; F373-M377 WeakPolarHBondContact O-CG 3.48Å; F373-M377 PolarHBondContact O-N 3.43Å; A375-M377 PolarHBondContact O-N 2.94Å; M377-A380 PolarHBondContact O-N 3.03Å; M377-G381 PolarHBondContact O-N 3.24Å; M377-F414 HydrophobicContact CE-CD1 4.07Å; M377-F414 HydrophobicContact CE-CE1 3.59Å; M377-F414 HydrophobicContact SD-CD1 3.82Å; M377-F414 HydrophobicContact SD-CE1 3.65Å; M377-V415 HydrophobicContact SD-CG2 4.11Å; M377-A418 HydrophobicContact SD-CB 4.27Å; M377-V419 HydrophobicContact CB-CG2 3.65Å; M377-V419 HydrophobicContact CG-CG2 3.61Å; M377-M544 HydrophobicContact CE-CE 3.15Å; M377-M544 HydrophobicContact CE-SD 4.3Å; M377-M544 HydrophobicContact SD-CE 4.39Å
378	R	93.5	Very high	91.6	Very high	81 Å²	81	35 Å²	35	31%	0.306	18%	0.178	S	C	.	.	H	α-helix	trans	-62.5	-45.6	176.5	-171.6	-173	-55.7	152	2.3	111.5	V374 A375 L376 G381 L382 M425 Y461	V374-R378 WeakPolarHBondContact O-CB 3.25Å; V374-R378 PolarHBondContact O-N 3.43Å; A375-R378 WeakPolarHBondContact O-CB 3.38Å; A375-R378 PolarHBondContact O-N 3.41Å; L376-R378 VanDerWaalsContact C-N 3.28Å; L376-R378 PolarHBondContact O-N 2.93Å; R378-G381 PolarHBondContact O-N 2.75Å; R378-L382 HydrophobicContact CG-CD1 3.62Å; R378-L382 HydrophobicContact CG-CG 4.27Å; R378-L382 WeakPolarHBondContact O-CB 3.35Å; R378-L382 VanDerWaalsContact O-CG 3.28Å; R378-L382 WeakPolarHBondContact O-CG 3.3Å; R378-L382 PolarHBondContact O-N 3.33Å; R378-M425 HydrophobicContact CG-SD 4.48Å; R378-Y461 WeakPolarHBondContact CD-OH 3.36Å
379	I	95.2	Very high	91.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.6	-47.3	177	-57.1	172.6	0	0	0	109.9	A375 L376 G381 L382 C383 Y461 F510 D512 I541	A375-I379 WeakPolarHBondContact O-CG1 3.47Å; A375-I379 PolarHBondContact O-N 3.18Å; A375-I379 VanDerWaalsContact O-N 3.09Å; L376-I379 PolarHBondContact O-N 3.42Å; I379-G381 VanDerWaalsContact C-N 3.28Å; I379-G381 PolarHBondContact O-N 2.82Å; I379-L382 PolarHBondContact O-N 3.01Å; I379-C383 HydrophobicContact CG2-CB 4.32Å; I379-C383 VanDerWaalsContact O-CB 3.31Å; I379-C383 WeakPolarHBondContact O-CB 3.13Å; I379-C383 PolarHBondContact O-N 3.23Å; I379-Y461 HydrophobicContact CB-CD1 4.44Å; I379-Y461 HydrophobicContact CG1-CD1 3.68Å; I379-Y461 HydrophobicContact CG1-CE1 4.14Å; I379-F510 HydrophobicContact CB-CB 4.45Å; I379-F510 HydrophobicContact CB-CD1 4.25Å; I379-F510 HydrophobicContact CD1-CB 4.22Å; I379-F510 HydrophobicContact CG2-CB 4.09Å; I379-F510 HydrophobicContact CG2-CD1 3.71Å; I379-F510 HydrophobicContact CG2-CG 4.39Å; I379-D512 HydrophobicContact CD1-CB 4.03Å; I379-D512 HydrophobicContact CG1-CB 4.46Å; I379-I541 HydrophobicContact CD1-CB 3.94Å; I379-I541 HydrophobicContact CD1-CG1 3.45Å; I379-I541 VanDerWaalsContact CD1-CG1 3.45Å; I379-I541 HydrophobicContact CD1-CG2 4.43Å
380	A	95.1	Very high	92	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-32.1	-179.6	0	0	0	0	0	113.7	L376 M377 N384 L411 V415 F510 M544	L376-A380 PolarHBondContact O-N 3.05Å; M377-A380 PolarHBondContact O-N 3.03Å; A380-N384 VanDerWaalsContact O-CB 3.26Å; A380-N384 WeakPolarHBondContact O-CB 3.41Å; A380-N384 PolarHBondContact O-ND2 2.52Å; A380-L411 HydrophobicContact CB-CD2 4.38Å; A380-V415 HydrophobicContact CB-CG2 3.79Å; A380-F510 HydrophobicContact CB-CE1 4.11Å; A380-M544 HydrophobicContact CB-CE 3.6Å; A380-M544 HydrophobicContact CB-SD 4.29Å
381	G	93.9	Very high	91.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-82	-37.4	177	0	0	0	0	0	114.5	M377 R378 I379 R426	M377-G381 PolarHBondContact O-N 3.24Å; R378-G381 PolarHBondContact O-N 2.75Å; I379-G381 VanDerWaalsContact C-N 3.28Å; I379-G381 PolarHBondContact O-N 2.82Å; G381-R426 PolarHBondContact O-NE 3.35Å; G381-R426 PolarHBondContact O-NH2 2.98Å
382	L	94.5	Very high	91.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-88.4	-42.5	-174.8	-65	-179.1	0	0	0	113.6	R378 I379 N384 M425 R426 F429 Y461	R378-L382 HydrophobicContact CG-CD1 3.62Å; R378-L382 HydrophobicContact CG-CG 4.27Å; R378-L382 WeakPolarHBondContact O-CB 3.35Å; R378-L382 VanDerWaalsContact O-CG 3.28Å; R378-L382 WeakPolarHBondContact O-CG 3.3Å; R378-L382 PolarHBondContact O-N 3.33Å; I379-L382 PolarHBondContact O-N 3.01Å; L382-N384 PolarHBondContact O-N 3.09Å; L382-M425 HydrophobicContact CD2-CG 4.02Å; L382-M425 HydrophobicContact CG-CG 4.37Å; L382-M425 HydrophobicContact CG-SD 4.35Å; L382-R426 HydrophobicContact CD2-CB 4.47Å; L382-R426 HydrophobicContact CD2-CG 4.01Å; L382-F429 HydrophobicContact CD1-CB 3.56Å; L382-F429 HydrophobicContact CD1-CD2 3.9Å; L382-F429 HydrophobicContact CD1-CG 3.79Å; L382-F429 HydrophobicContact CD2-CB 3.84Å; L382-F429 HydrophobicContact CG-CB 4.38Å; L382-Y461 HydrophobicContact CB-CD2 4.02Å; L382-Y461 HydrophobicContact CB-CE2 4.29Å; L382-Y461 HydrophobicContact CD1-CD2 3.91Å; L382-Y461 HydrophobicContact CD1-CE2 3.3Å; L382-Y461 HydrophobicContact CG-CE2 4.44Å
383	C	94.2	Very high	91	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.02	23%	0.227	C	C	.	.	S	Bend	trans	-82.8	54.6	175.7	-163	0	0	0	0	109.7	I379 K463	I379-C383 HydrophobicContact CG2-CB 4.32Å; I379-C383 VanDerWaalsContact O-CB 3.31Å; I379-C383 WeakPolarHBondContact O-CB 3.13Å; I379-C383 PolarHBondContact O-N 3.23Å; C383-K463 WeakPolarHBondContact O-CD 3.48Å; C383-K463 WeakPolarHBondContact O-CE 3.45Å; C383-K463 PolarHBondContact O-NZ 2.81Å
384	N	92.6	Very high	90.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.27	C	S	.	.			trans	-149.7	140	-171.1	-169.4	-42.7	0	0	0	110.4	A380 L382 A386 D408 R426	A380-N384 VanDerWaalsContact O-CB 3.26Å; A380-N384 WeakPolarHBondContact O-CB 3.41Å; A380-N384 PolarHBondContact O-ND2 2.52Å; L382-N384 PolarHBondContact O-N 3.09Å; N384-A386 WeakPolarHBondContact OD1-CB 3.31Å; N384-A386 PolarHBondContact OD1-N 3.28Å; N384-D408 PolarHBondContact ND2-O 3.32Å; N384-D408 WeakPolarHBondContact OD1-CB 3.39Å; N384-D408 PolarHBondContact OD1-O 2.85Å; N384-D408 PolarHBondContact OD1-OD2 2.92Å; N384-R426 PolarHBondContact O-NH2 3.36Å; N384-R426 PolarHBondContact OD1-NH2 3.18Å
385	R	89.7	Confident	90.5	Very high	115 Å²	115	56.7 Å²	56.7	43%	0.434	27%	0.273	S	S	.	.			trans	-106.4	-8.4	-178.5	-72.6	179.7	167.2	-176.2	-4.4	114	D408 E434 P436	R385-D408 PolarHBondContact N-OD2 3.07Å; R385-E434 IonicContact CZ-OE1 3.21Å; R385-E434 IonicContact NE-OE1 2.92Å; R385-E434 PolarHBondContact NE-OE1 3.3Å; R385-E434 IonicContact NE-OE2 3.79Å; R385-E434 IonicContact NH2-OE1 3.44Å; R385-E434 PolarHBondContact NH2-OE1 3.11Å; R385-P436 VanDerWaalsContact NH2-CB 3.26Å
386	A	90.6	Very high	90.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.295	C	S	.	.			trans	-66.2	145.2	178.6	0	0	0	0	0	111.2	N384 T403 D408 I409 M412 R426	N384-A386 WeakPolarHBondContact OD1-CB 3.31Å; N384-A386 PolarHBondContact OD1-N 3.28Å; A386-T403 CarbonylContact C-O 3.58Å; A386-T403 WeakPolarHBondContact CA-O 3.11Å; A386-D408 HydrophobicContact CB-CB 3.89Å; A386-I409 HydrophobicContact CB-CG1 3.85Å; A386-M412 HydrophobicContact CB-CB 4.2Å; A386-M412 HydrophobicContact CB-CE 3.96Å; A386-M412 HydrophobicContact CB-SD 3.95Å; A386-R426 VanDerWaalsContact O-CZ 3.31Å; A386-R426 PolarHBondContact O-NH1 3.23Å; A386-R426 PolarHBondContact O-NH2 2.81Å
387	E	90	Very high	90.1	Very high	115 Å²	115	61.4 Å²	61.4	54%	0.537	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.2	176.4	-65.7	-175.3	165.8	0	0	110.4	C402 T403	E387-C402 CarbonylContact O-C 3.56Å; E387-C402 WeakPolarHBondContact O-CA 3.47Å; E387-C402 WeakPolarHBondContact O-CB 3.29Å; E387-T403 PolarHBondContact N-O 2.97Å; E387-T403 PolarHBondContact O-N 3.49Å; E387-T403 PolarHBondContact O-OG1 3.49Å
388	F	90.9	Very high	89.7	Confident	51 Å²	51	61.8 Å²	61.8	22%	0.224	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	139.7	169.1	-68.2	-69.6	0	0	0	109.6	V397 R400 C402 M412 K413 E416	F388-V397 HydrophobicContact CE1-CG1 4.41Å; F388-V397 HydrophobicContact CZ-CG1 3.98Å; F388-R400 HydrophobicContact CD1-CB 3.63Å; F388-R400 HydrophobicContact CD1-CG 4.41Å; F388-R400 HydrophobicContact CE1-CB 3.82Å; F388-C402 WeakPolarHBondContact CD1-SG 3.37Å; F388-M412 HydrophobicContact CD1-CE 3.88Å; F388-M412 HydrophobicContact CD2-CE 3.98Å; F388-M412 HydrophobicContact CD2-SD 4.07Å; F388-M412 HydrophobicContact CE1-CE 3.77Å; F388-M412 HydrophobicContact CE2-CE 3.87Å; F388-M412 HydrophobicContact CE2-CG 4.12Å; F388-M412 HydrophobicContact CE2-SD 3.99Å; F388-M412 HydrophobicContact CG-CE 3.98Å; F388-M412 HydrophobicContact CZ-CE 3.77Å; F388-M412 HydrophobicContact CZ-CG 4.37Å; F388-M412 HydrophobicContact CZ-SD 4.42Å; F388-K413 HydrophobicContact CE1-CG 4.13Å; F388-K413 HydrophobicContact CZ-CG 4.22Å; F388-E416 HydrophobicContact CE2-CB 4.23Å; F388-E416 HydrophobicContact CE2-CG 3.91Å; F388-E416 HydrophobicContact CZ-CB 4.2Å; F388-E416 HydrophobicContact CZ-CG 4.04Å
389	K	88.2	Confident	89.4	Confident	105 Å²	105	63.9 Å²	63.9	46%	0.457	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-65.5	149.3	169.9	-68.5	-170.3	177	-174.9	0	110	K401 T403	K389-K401 HydrophobicContact CD-CB 4.04Å; K389-K401 HydrophobicContact CG-CB 4.42Å; K389-K401 PolarHBondContact N-O 2.98Å; K389-T403 HydrophobicContact CG-CG2 4.3Å
390	S	85.6	Confident	89.1	Confident	96 Å²	96	65.9 Å²	65.9	67%	0.671	32%	0.323	S	S	*	.	S	Bend	trans	-61.4	153	179.7	51	0	0	0	0	112.6
391	H	83.3	Confident	88.7	Confident	183 Å²	183	72.6 Å²	72.6	85%	0.847	35%	0.353	S	S	*	.	S	Bend	trans	64	46.2	175.1	-49.4	-70.7	0	0	0	115.9
392	Q	84.8	Confident	88.4	Confident	27 Å²	27	73.8 Å²	73.8	13%	0.126	36%	0.361	C	S	.	.			trans	-128.1	23	-179.2	-59.2	-166.3	-18	0	0	114.3	D394 I395 R400 K401	Q392-D394 VanDerWaalsContact C-N 3.33Å; Q392-D394 PolarHBondContact O-N 3.32Å; Q392-I395 HydrophobicContact CB-CD1 4.14Å; Q392-I395 HydrophobicContact CG-CD1 4.2Å; Q392-I395 PolarHBondContact O-N 3.42Å; Q392-R400 HydrophobicContact CB-CG 4.15Å; Q392-R400 PolarHBondContact O-NE 3Å; Q392-K401 PolarHBondContact OE1-O 3.41Å
393	E	82.4	Confident	88	Confident	167 Å²	167	77 Å²	77	78%	0.78	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-35.7	-174.4	-65.7	179.9	-171.2	0	0	112.5	I395 R400	E393-I395 VanDerWaalsContact C-N 3.26Å; E393-I395 PolarHBondContact O-N 3.05Å; E393-R400 PolarHBondContact O-NH2 2.98Å
394	D	86.9	Confident	87.4	Confident	170 Å²	170	79.2 Å²	79.2	91%	0.909	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.4	178.8	-58.2	-40.1	0	0	0	114.3	Q392	Q392-D394 VanDerWaalsContact C-N 3.33Å; Q392-D394 PolarHBondContact O-N 3.32Å
395	I	88.3	Confident	87	Confident	67 Å²	67	82.5 Å²	82.5	34%	0.344	42%	0.421	S	S	.	.	S	Bend	trans	-91	136	-177.8	-55.3	175.3	0	0	0	108.7	Q392 E393 V397 K399 R400	Q392-I395 HydrophobicContact CB-CD1 4.14Å; Q392-I395 HydrophobicContact CG-CD1 4.2Å; Q392-I395 PolarHBondContact O-N 3.42Å; E393-I395 VanDerWaalsContact C-N 3.26Å; E393-I395 PolarHBondContact O-N 3.05Å; I395-V397 PolarHBondContact O-N 3.1Å; I395-K399 HydrophobicContact CG2-CB 3.79Å; I395-R400 HydrophobicContact CB-CG 4.13Å; I395-R400 HydrophobicContact CG2-CG 4.25Å; I395-R400 PolarHBondContact O-NE 3.31Å; I395-R400 PolarHBondContact O-NH2 3.2Å
396	P	87.9	Confident	86.8	Confident	81 Å²	81	78.4 Å²	78.4	53%	0.526	41%	0.412	S	S	.	.			trans	-52.7	138.2	173.7	-27	34.5	0	0	0	112.2	L398 K399 R400	P396-L398 PolarHBondContact O-N 3.15Å; P396-K399 WeakPolarHBondContact O-CA 3.34Å; P396-K399 PolarHBondContact O-N 3.24Å; P396-R400 PolarHBondContact O-N 3.38Å
397	V	89.4	Confident	86.7	Confident	25 Å²	25	78.6 Å²	78.6	15%	0.152	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-48.1	-43.8	-172.5	176.5	0	0	0	0	112.8	F388 I395 K399 R400 K413 E416 L417	F388-V397 HydrophobicContact CE1-CG1 4.41Å; F388-V397 HydrophobicContact CZ-CG1 3.98Å; I395-V397 PolarHBondContact O-N 3.1Å; V397-K399 VanDerWaalsContact C-N 3.3Å; V397-K399 PolarHBondContact O-N 3.29Å; V397-R400 PolarHBondContact O-N 2.98Å; V397-K413 HydrophobicContact CG1-CB 4.38Å; V397-K413 HydrophobicContact CG1-CG 4.34Å; V397-K413 WeakPolarHBondContact O-CE 3.27Å; V397-E416 HydrophobicContact CG1-CB 3.89Å; V397-E416 HydrophobicContact CG1-CG 3.76Å; V397-E416 HydrophobicContact CG2-CG 4.04Å; V397-L417 HydrophobicContact CB-CD2 3.9Å; V397-L417 HydrophobicContact CB-CG 4.22Å; V397-L417 HydrophobicContact CG1-CD2 4.28Å; V397-L417 HydrophobicContact CG1-CG 4.04Å; V397-L417 HydrophobicContact CG2-CD2 4.16Å
398	L	87.5	Confident	86.7	Confident	9 Å²	9	73.8 Å²	73.8	5%	0.047	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-65.7	-28.3	-179.6	-71.5	-177	0	0	0	114.2	R340 Q361 P396 K413 L417	R340-L398 WeakPolarHBondContact CD-O 3.43Å; R340-L398 PolarHBondContact NH1-O 2.64Å; Q361-L398 HydrophobicContact CG-CD1 3.62Å; Q361-L398 HydrophobicContact CG-CG 4.44Å; P396-L398 PolarHBondContact O-N 3.15Å; L398-K413 HydrophobicContact CD2-CB 4.34Å; L398-K413 HydrophobicContact CD2-CD 4.42Å; L398-K413 PolarHBondContact O-NZ 3.05Å; L398-L417 HydrophobicContact CD1-CD1 4.42Å; L398-L417 HydrophobicContact CD2-CD1 3.69Å; L398-L417 HydrophobicContact CG-CD1 3.92Å
399	K	85.8	Confident	86.8	Confident	125 Å²	125	72.8 Å²	72.8	54%	0.543	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-93.5	-9	179.2	-66.3	-173.8	179.4	-177.5	0	113.5	I395 P396 V397	I395-K399 HydrophobicContact CG2-CB 3.79Å; P396-K399 WeakPolarHBondContact O-CA 3.34Å; P396-K399 PolarHBondContact O-N 3.24Å; V397-K399 VanDerWaalsContact C-N 3.3Å; V397-K399 PolarHBondContact O-N 3.29Å
400	R	89.7	Confident	87	Confident	42 Å²	42	67.9 Å²	67.9	16%	0.158	37%	0.367	C	S	.	.	S	Bend	trans	-61.4	137.4	175.1	-65.1	-178.5	-175.1	171.8	-3.5	110.9	F388 Q392 E393 I395 P396 V397 C402 K413	F388-R400 HydrophobicContact CD1-CB 3.63Å; F388-R400 HydrophobicContact CD1-CG 4.41Å; F388-R400 HydrophobicContact CE1-CB 3.82Å; Q392-R400 HydrophobicContact CB-CG 4.15Å; Q392-R400 PolarHBondContact O-NE 3Å; E393-R400 PolarHBondContact O-NH2 2.98Å; I395-R400 HydrophobicContact CB-CG 4.13Å; I395-R400 HydrophobicContact CG2-CG 4.25Å; I395-R400 PolarHBondContact O-NE 3.31Å; I395-R400 PolarHBondContact O-NH2 3.2Å; P396-R400 PolarHBondContact O-N 3.38Å; V397-R400 PolarHBondContact O-N 2.98Å; R400-C402 PolarHBondContact O-SG 3.27Å; R400-K413 WeakPolarHBondContact O-CE 3.29Å; R400-K413 PolarHBondContact O-NZ 3.09Å
401	K	86.9	Confident	87.5	Confident	142 Å²	142	63.3 Å²	63.3	62%	0.617	34%	0.335	S	S	*	.			trans	-76.9	133.8	174.4	-57.7	-174.4	177.2	-178	0	108.7	K389 Q392	K389-K401 HydrophobicContact CD-CB 4.04Å; K389-K401 HydrophobicContact CG-CB 4.42Å; K389-K401 PolarHBondContact N-O 2.98Å; Q392-K401 PolarHBondContact OE1-O 3.41Å
402	C	87.7	Confident	88	Confident	25 Å²	25	54.7 Å²	54.7	17%	0.169	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158.5	-176.6	-54.7	0	0	0	0	110.1	E387 F388 R400 I409 M412 K413	E387-C402 CarbonylContact O-C 3.56Å; E387-C402 WeakPolarHBondContact O-CA 3.47Å; E387-C402 WeakPolarHBondContact O-CB 3.29Å; F388-C402 WeakPolarHBondContact CD1-SG 3.37Å; R400-C402 PolarHBondContact O-SG 3.27Å; C402-I409 HydrophobicContact CB-CB 4.4Å; C402-I409 HydrophobicContact CB-CD1 3.8Å; C402-I409 HydrophobicContact CB-CG1 3.67Å; C402-I409 HydrophobicContact CB-CG2 3.87Å; C402-M412 HydrophobicContact CB-CE 4Å; C402-M412 VanDerWaalsContact SG-CE 3.56Å; C402-K413 WeakPolarHBondContact SG-CE 3.25Å
403	T	85.5	Confident	88.4	Confident	67 Å²	67	54.1 Å²	54.1	41%	0.411	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.5	164.7	46.9	0	0	0	0	108	A386 E387 K389	A386-T403 CarbonylContact C-O 3.58Å; A386-T403 WeakPolarHBondContact CA-O 3.11Å; E387-T403 PolarHBondContact N-O 2.97Å; E387-T403 PolarHBondContact O-N 3.49Å; E387-T403 PolarHBondContact O-OG1 3.49Å; K389-T403 HydrophobicContact CG-CG2 4.3Å
404	G	81.8	Confident	88.9	Confident	50 Å²	50	46.6 Å²	46.6	52%	0.515	26%	0.257	S	S	.	.	S	Bend	trans	133.1	174.6	-175.5	0	0	0	0	0	112.3	I409	G404-I409 VanDerWaalsContact O-CD1 3.27Å; G404-I409 WeakPolarHBondContact O-CD1 3.29Å
405	D	83.8	Confident	89.3	Confident	71 Å²	71	38.5 Å²	38.5	38%	0.38	21%	0.214	S	C	.	.			trans	-75.9	160.1	171.8	68.5	88	0	0	0	111.6	S407 D408 I409	D405-S407 VanDerWaalsContact C-N 3.25Å; D405-S407 PolarHBondContact O-N 2.92Å; D405-S407 WeakPolarHBondContact OD1-CA 3.18Å; D405-S407 VanDerWaalsContact OD1-CB 3.31Å; D405-S407 WeakPolarHBondContact OD1-CB 3.22Å; D405-S407 PolarHBondContact OD1-N 3.23Å; D405-D408 PolarHBondContact O-N 2.97Å; D405-D408 PolarHBondContact OD1-N 3.15Å; D405-D408 WeakPolarHBondContact OD2-CB 3.27Å; D405-I409 WeakPolarHBondContact O-CB 3.37Å; D405-I409 VanDerWaalsContact O-CG1 3.24Å; D405-I409 WeakPolarHBondContact O-CG1 3.27Å; D405-I409 PolarHBondContact O-N 3.25Å
406	A	85.2	Confident	89.5	Confident	29 Å²	29	36.9 Å²	36.9	24%	0.24	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-33.8	-175.1	0	0	0	0	0	113.4	M341 A410	M341-A406 HydrophobicContact CB-CB 4.04Å; A406-A410 WeakPolarHBondContact O-CB 3.29Å; A406-A410 PolarHBondContact O-N 2.86Å
407	S	89.3	Confident	89.6	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-72.5	-44.1	-180	-57.4	0	0	0	0	111.4	D405 I409 A410 L411 R506 M546	D405-S407 VanDerWaalsContact C-N 3.25Å; D405-S407 PolarHBondContact O-N 2.92Å; D405-S407 WeakPolarHBondContact OD1-CA 3.18Å; D405-S407 VanDerWaalsContact OD1-CB 3.31Å; D405-S407 WeakPolarHBondContact OD1-CB 3.22Å; D405-S407 PolarHBondContact OD1-N 3.23Å; S407-I409 VanDerWaalsContact C-N 3.35Å; S407-A410 PolarHBondContact O-N 2.97Å; S407-L411 WeakPolarHBondContact O-CG 3.43Å; S407-L411 PolarHBondContact O-N 2.86Å; S407-R506 VanDerWaalsContact OG-CZ 3.26Å; S407-R506 PolarHBondContact OG-NH1 3.36Å; S407-M546 VanDerWaalsContact CA-SD 3.52Å; S407-M546 VanDerWaalsContact CB-SD 3.51Å; S407-M546 PolarHBondContact OG-SD 3.47Å
408	D	90.9	Very high	89.5	Confident	15 Å²	15	35.1 Å²	35.1	8%	0.08	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-39.7	176.3	-83.6	25.4	0	0	0	111.8	N384 R385 A386 D405 L411 M412 K463	N384-D408 PolarHBondContact ND2-O 3.32Å; N384-D408 WeakPolarHBondContact OD1-CB 3.39Å; N384-D408 PolarHBondContact OD1-O 2.85Å; N384-D408 PolarHBondContact OD1-OD2 2.92Å; R385-D408 PolarHBondContact N-OD2 3.07Å; A386-D408 HydrophobicContact CB-CB 3.89Å; D405-D408 PolarHBondContact O-N 2.97Å; D405-D408 PolarHBondContact OD1-N 3.15Å; D405-D408 WeakPolarHBondContact OD2-CB 3.27Å; D408-L411 PolarHBondContact O-N 2.88Å; D408-M412 WeakPolarHBondContact O-CB 3.31Å; D408-M412 PolarHBondContact O-N 2.73Å; D408-K463 WeakPolarHBondContact OD1-CE 3.16Å; D408-K463 IonicContact OD1-NZ 2.95Å; D408-K463 PolarHBondContact OD1-NZ 3.44Å; D408-K463 IonicContact OD2-NZ 2.85Å; D408-K463 PolarHBondContact OD2-NZ 2.77Å
409	I	92.2	Very high	89.5	Confident	29 Å²	29	37.1 Å²	37.1	15%	0.149	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-44.5	174.6	-68.1	168.5	0	0	0	110.9	A386 C402 G404 D405 S407 M412 K413	A386-I409 HydrophobicContact CB-CG1 3.85Å; C402-I409 HydrophobicContact CB-CB 4.4Å; C402-I409 HydrophobicContact CB-CD1 3.8Å; C402-I409 HydrophobicContact CB-CG1 3.67Å; C402-I409 HydrophobicContact CB-CG2 3.87Å; G404-I409 VanDerWaalsContact O-CD1 3.27Å; G404-I409 WeakPolarHBondContact O-CD1 3.29Å; D405-I409 WeakPolarHBondContact O-CB 3.37Å; D405-I409 VanDerWaalsContact O-CG1 3.24Å; D405-I409 WeakPolarHBondContact O-CG1 3.27Å; D405-I409 PolarHBondContact O-N 3.25Å; S407-I409 VanDerWaalsContact C-N 3.35Å; I409-M412 PolarHBondContact O-N 3.07Å; I409-K413 HydrophobicContact CG2-CD 3.97Å; I409-K413 HydrophobicContact CG2-CG 4.43Å; I409-K413 WeakPolarHBondContact O-CB 3.49Å; I409-K413 WeakPolarHBondContact O-CG 3.46Å; I409-K413 PolarHBondContact O-N 3.3Å
410	A	92.7	Very high	89.6	Confident	3 Å²	3	32.6 Å²	32.6	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-48.9	178.7	0	0	0	0	0	111.4	M341 A406 S407 K413 F414 M546	M341-A410 HydrophobicContact CB-CB 4.19Å; M341-A410 HydrophobicContact CG-CB 4.04Å; M341-A410 WeakPolarHBondContact O-CB 3.44Å; A406-A410 WeakPolarHBondContact O-CB 3.29Å; A406-A410 PolarHBondContact O-N 2.86Å; S407-A410 PolarHBondContact O-N 2.97Å; A410-K413 PolarHBondContact O-N 3.01Å; A410-F414 WeakPolarHBondContact O-CB 3.37Å; A410-F414 PolarHBondContact O-N 2.93Å; A410-M546 HydrophobicContact CB-SD 4.31Å
411	L	94.9	Very high	89.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-44.8	177.7	-67.8	172.9	0	0	0	111.9	V343 A380 S407 D408 K413 F414 V415 K463 L508 F510 M544 M546	V343-L411 HydrophobicContact CG2-CD2 4.03Å; A380-L411 HydrophobicContact CB-CD2 4.38Å; S407-L411 WeakPolarHBondContact O-CG 3.43Å; S407-L411 PolarHBondContact O-N 2.86Å; D408-L411 PolarHBondContact O-N 2.88Å; L411-K413 PolarHBondContact O-N 3.42Å; L411-F414 PolarHBondContact O-N 3.37Å; L411-V415 WeakPolarHBondContact O-CG2 3.49Å; L411-V415 PolarHBondContact O-N 3.16Å; L411-K463 HydrophobicContact CD1-CD 4.35Å; L411-L508 HydrophobicContact CD1-CD1 3.99Å; L411-F510 HydrophobicContact CD1-CE1 4.09Å; L411-F510 HydrophobicContact CD1-CZ 3.86Å; L411-F510 HydrophobicContact CD2-CE1 4.47Å; L411-F510 HydrophobicContact CD2-CZ 3.75Å; L411-F510 HydrophobicContact CG-CZ 4.49Å; L411-M544 HydrophobicContact CD2-CB 4.32Å; L411-M544 HydrophobicContact CD2-SD 3.42Å; L411-M544 WeakPolarHBondContact CD2-SD 3.15Å; L411-M546 HydrophobicContact CD1-CE 4.33Å; L411-M546 HydrophobicContact CD2-CE 3.94Å; L411-M546 HydrophobicContact CG-CE 3.89Å
412	M	94.8	Very high	89.9	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-46.8	179.3	179.9	-176.1	66.4	0	0	111.1	A386 F388 C402 D408 I409 F414 V415 E416 V422	A386-M412 HydrophobicContact CB-CB 4.2Å; A386-M412 HydrophobicContact CB-CE 3.96Å; A386-M412 HydrophobicContact CB-SD 3.95Å; F388-M412 HydrophobicContact CD1-CE 3.88Å; F388-M412 HydrophobicContact CD2-CE 3.98Å; F388-M412 HydrophobicContact CD2-SD 4.07Å; F388-M412 HydrophobicContact CE1-CE 3.77Å; F388-M412 HydrophobicContact CE2-CE 3.87Å; F388-M412 HydrophobicContact CE2-CG 4.12Å; F388-M412 HydrophobicContact CE2-SD 3.99Å; F388-M412 HydrophobicContact CG-CE 3.98Å; F388-M412 HydrophobicContact CZ-CE 3.77Å; F388-M412 HydrophobicContact CZ-CG 4.37Å; F388-M412 HydrophobicContact CZ-SD 4.42Å; C402-M412 HydrophobicContact CB-CE 4Å; C402-M412 VanDerWaalsContact SG-CE 3.56Å; D408-M412 WeakPolarHBondContact O-CB 3.31Å; D408-M412 PolarHBondContact O-N 2.73Å; I409-M412 PolarHBondContact O-N 3.07Å; M412-F414 VanDerWaalsContact C-N 3.3Å; M412-F414 PolarHBondContact O-N 2.81Å; M412-V415 PolarHBondContact O-N 3.31Å; M412-E416 WeakPolarHBondContact O-CB 3.38Å; M412-E416 PolarHBondContact O-N 3.31Å; M412-V422 HydrophobicContact CG-CB 4.38Å; M412-V422 HydrophobicContact CG-CG1 4.28Å; M412-V422 HydrophobicContact CG-CG2 4.1Å
413	K	93.3	Very high	90	Very high	15 Å²	15	27.9 Å²	27.9	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-39.6	177.4	-76.2	179.4	171.5	-176.9	0	111.7	F388 V397 L398 R400 C402 I409 A410 L411 E416 L417	F388-K413 HydrophobicContact CE1-CG 4.13Å; F388-K413 HydrophobicContact CZ-CG 4.22Å; V397-K413 HydrophobicContact CG1-CB 4.38Å; V397-K413 HydrophobicContact CG1-CG 4.34Å; V397-K413 WeakPolarHBondContact O-CE 3.27Å; L398-K413 HydrophobicContact CD2-CB 4.34Å; L398-K413 HydrophobicContact CD2-CD 4.42Å; L398-K413 PolarHBondContact O-NZ 3.05Å; R400-K413 WeakPolarHBondContact O-CE 3.29Å; R400-K413 PolarHBondContact O-NZ 3.09Å; C402-K413 WeakPolarHBondContact SG-CE 3.25Å; I409-K413 HydrophobicContact CG2-CD 3.97Å; I409-K413 HydrophobicContact CG2-CG 4.43Å; I409-K413 WeakPolarHBondContact O-CB 3.49Å; I409-K413 WeakPolarHBondContact O-CG 3.46Å; I409-K413 PolarHBondContact O-N 3.3Å; A410-K413 PolarHBondContact O-N 3.01Å; L411-K413 PolarHBondContact O-N 3.42Å; K413-E416 PolarHBondContact O-N 3.44Å; K413-L417 WeakPolarHBondContact O-CB 3.32Å; K413-L417 VanDerWaalsContact O-CG 3.28Å; K413-L417 WeakPolarHBondContact O-CG 3.27Å; K413-L417 PolarHBondContact O-N 2.62Å
414	F	93.4	Very high	90.2	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.039	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-45.8	176.9	-174.4	-115.6	0	0	0	112.3	V343 A355 Y366 M377 A410 L411 M412 E416 L417 A418 M544	V343-F414 HydrophobicContact CB-CB 3.98Å; V343-F414 HydrophobicContact CB-CD1 4.18Å; V343-F414 HydrophobicContact CB-CD2 3.94Å; V343-F414 HydrophobicContact CB-CE2 4.49Å; V343-F414 HydrophobicContact CB-CG 3.77Å; V343-F414 HydrophobicContact CG1-CD1 3.96Å; V343-F414 HydrophobicContact CG1-CD2 4.21Å; V343-F414 HydrophobicContact CG1-CE1 4.07Å; V343-F414 HydrophobicContact CG1-CE2 4.32Å; V343-F414 HydrophobicContact CG1-CG 4.03Å; V343-F414 HydrophobicContact CG1-CZ 4.26Å; V343-F414 HydrophobicContact CG2-CB 3.65Å; V343-F414 HydrophobicContact CG2-CD1 4.19Å; V343-F414 HydrophobicContact CG2-CG 3.89Å; A355-F414 HydrophobicContact CB-CD2 4.4Å; A355-F414 HydrophobicContact CB-CE2 3.58Å; A355-F414 HydrophobicContact CB-CZ 4.07Å; Y366-F414 HydrophobicContact CE1-CE2 4Å; Y366-F414 HydrophobicContact CE1-CZ 4.06Å; Y366-F414 HydrophobicContact CE2-CE2 4.2Å; Y366-F414 AromaticContact CZ-CE2 3.62Å; Y366-F414 WeakPolarHBondContact OH-CE2 3.3Å; M377-F414 HydrophobicContact CE-CD1 4.07Å; M377-F414 HydrophobicContact CE-CE1 3.59Å; M377-F414 HydrophobicContact SD-CD1 3.82Å; M377-F414 HydrophobicContact SD-CE1 3.65Å; A410-F414 WeakPolarHBondContact O-CB 3.37Å; A410-F414 PolarHBondContact O-N 2.93Å; L411-F414 PolarHBondContact O-N 3.37Å; M412-F414 VanDerWaalsContact C-N 3.3Å; M412-F414 PolarHBondContact O-N 2.81Å; F414-E416 PolarHBondContact O-N 2.91Å; F414-L417 PolarHBondContact O-N 2.9Å; F414-A418 VanDerWaalsContact O-CB 3.3Å; F414-A418 WeakPolarHBondContact O-CB 3.43Å; F414-A418 PolarHBondContact O-N 2.98Å; F414-M544 HydrophobicContact CD1-SD 4.29Å
415	V	93.6	Very high	90.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-41.5	177.3	177.2	0	0	0	0	111.4	M377 A380 L411 M412 L417 A418 V419 G420 V422 M425	M377-V415 HydrophobicContact SD-CG2 4.11Å; A380-V415 HydrophobicContact CB-CG2 3.79Å; L411-V415 WeakPolarHBondContact O-CG2 3.49Å; L411-V415 PolarHBondContact O-N 3.16Å; M412-V415 PolarHBondContact O-N 3.31Å; V415-L417 VanDerWaalsContact C-N 3.28Å; V415-L417 PolarHBondContact O-N 3.2Å; V415-A418 PolarHBondContact O-N 3.39Å; V415-V419 PolarHBondContact O-N 2.88Å; V415-G420 PolarHBondContact O-N 3.22Å; V415-V422 HydrophobicContact CB-CG2 3.89Å; V415-V422 HydrophobicContact CG1-CG2 3.75Å; V415-M425 HydrophobicContact CG1-CE 3.83Å; V415-M425 HydrophobicContact CG1-SD 4.45Å
416	E	92.3	Very high	91	Very high	33 Å²	33	24.6 Å²	24.6	15%	0.154	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-39.3	176.7	-170.1	75.3	-163	0	0	111.7	F388 V397 M412 K413 F414 G420 S421 V422	F388-E416 HydrophobicContact CE2-CB 4.23Å; F388-E416 HydrophobicContact CE2-CG 3.91Å; F388-E416 HydrophobicContact CZ-CB 4.2Å; F388-E416 HydrophobicContact CZ-CG 4.04Å; V397-E416 HydrophobicContact CG1-CB 3.89Å; V397-E416 HydrophobicContact CG1-CG 3.76Å; V397-E416 HydrophobicContact CG2-CG 4.04Å; M412-E416 WeakPolarHBondContact O-CB 3.38Å; M412-E416 PolarHBondContact O-N 3.31Å; K413-E416 PolarHBondContact O-N 3.44Å; F414-E416 PolarHBondContact O-N 2.91Å; E416-G420 WeakPolarHBondContact CA-O 3.33Å; E416-G420 WeakPolarHBondContact O-CA 3.44Å; E416-G420 PolarHBondContact O-N 3.17Å; E416-S421 WeakPolarHBondContact OE1-CA 3.42Å; E416-S421 WeakPolarHBondContact OE2-CA 3.41Å; E416-V422 HydrophobicContact CB-CG2 4.19Å; E416-V422 WeakPolarHBondContact OE2-CG2 3.3Å; E416-V422 PolarHBondContact OE2-N 2.89Å
417	L	90.3	Very high	91.3	Very high	58 Å²	58	29.1 Å²	29.1	30%	0.304	17%	0.172	S	C	.	.	H	α-helix	trans	-73.8	-41.6	176.2	-73	168.5	0	0	0	113	Q361 V397 L398 K413 F414 V415	Q361-L417 HydrophobicContact CG-CD1 4.13Å; Q361-L417 HydrophobicContact CG-CD2 4.31Å; V397-L417 HydrophobicContact CB-CD2 3.9Å; V397-L417 HydrophobicContact CB-CG 4.22Å; V397-L417 HydrophobicContact CG1-CD2 4.28Å; V397-L417 HydrophobicContact CG1-CG 4.04Å; V397-L417 HydrophobicContact CG2-CD2 4.16Å; L398-L417 HydrophobicContact CD1-CD1 4.42Å; L398-L417 HydrophobicContact CD2-CD1 3.69Å; L398-L417 HydrophobicContact CG-CD1 3.92Å; K413-L417 WeakPolarHBondContact O-CB 3.32Å; K413-L417 VanDerWaalsContact O-CG 3.28Å; K413-L417 WeakPolarHBondContact O-CG 3.27Å; K413-L417 PolarHBondContact O-N 2.62Å; F414-L417 PolarHBondContact O-N 2.9Å; V415-L417 VanDerWaalsContact C-N 3.28Å; V415-L417 PolarHBondContact O-N 3.2Å
418	A	88.4	Confident	91.3	Very high	10 Å²	10	35 Å²	35	8%	0.083	19%	0.194	C	C	.	.	H	α-helix	trans	-82	-41.3	-171.6	0	0	0	0	0	113.6	Y366 F373 M377 F414 V415	Y366-A418 HydrophobicContact CD2-CB 3.58Å; Y366-A418 HydrophobicContact CE2-CB 4Å; Y366-A418 HydrophobicContact CG-CB 4.2Å; F373-A418 HydrophobicContact CZ-CB 4.28Å; M377-A418 HydrophobicContact SD-CB 4.27Å; F414-A418 VanDerWaalsContact O-CB 3.3Å; F414-A418 WeakPolarHBondContact O-CB 3.43Å; F414-A418 PolarHBondContact O-N 2.98Å; V415-A418 PolarHBondContact O-N 3.39Å
419	V	87.3	Confident	91.2	Very high	52 Å²	52	36.6 Å²	36.6	32%	0.315	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-25.5	-171.9	-173.9	0	0	0	0	112.4	L368 M377 V415 M425	L368-V419 HydrophobicContact CD2-CG2 3.95Å; M377-V419 HydrophobicContact CB-CG2 3.65Å; M377-V419 HydrophobicContact CG-CG2 3.61Å; V415-V419 PolarHBondContact O-N 2.88Å; V419-M425 HydrophobicContact CB-CE 4.48Å; V419-M425 HydrophobicContact CG1-CE 4.08Å
420	G	88	Confident	91.1	Very high	29 Å²	29	40.3 Å²	40.3	30%	0.299	22%	0.215	S	C	.	.	S	Bend	trans	107.8	-162.7	-174.2	0	0	0	0	0	112.8	V415 E416 V422	V415-G420 PolarHBondContact O-N 3.22Å; E416-G420 WeakPolarHBondContact CA-O 3.33Å; E416-G420 WeakPolarHBondContact O-CA 3.44Å; E416-G420 PolarHBondContact O-N 3.17Å; G420-V422 PolarHBondContact O-N 3.3Å; G420-V422 VanDerWaalsContact O-N 3.11Å
421	S	91	Very high	91	Very high	49 Å²	49	44.3 Å²	44.3	34%	0.343	23%	0.232	S	C	.	.			trans	-49.5	112.6	-167.1	177.2	0	0	0	0	115	E416 A423 S424 M425	E416-S421 WeakPolarHBondContact OE1-CA 3.42Å; E416-S421 WeakPolarHBondContact OE2-CA 3.41Å; S421-A423 VanDerWaalsContact C-N 3.27Å; S421-A423 PolarHBondContact O-N 2.69Å; S421-A423 PolarHBondContact OG-N 3.25Å; S421-S424 PolarHBondContact O-N 2.89Å; S421-S424 PolarHBondContact OG-N 3.24Å; S421-S424 VanDerWaalsContact OG-N 3.16Å; S421-S424 PolarHBondContact OG-OG 3.47Å; S421-M425 PolarHBondContact O-N 3.39Å; S421-M425 VanDerWaalsContact O-N 3.1Å
422	V	92	Very high	90.8	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-34.7	172.6	176.7	0	0	0	0	110.5	M412 V415 E416 G420 S424 M425 R426	M412-V422 HydrophobicContact CG-CB 4.38Å; M412-V422 HydrophobicContact CG-CG1 4.28Å; M412-V422 HydrophobicContact CG-CG2 4.1Å; V415-V422 HydrophobicContact CB-CG2 3.89Å; V415-V422 HydrophobicContact CG1-CG2 3.75Å; E416-V422 HydrophobicContact CB-CG2 4.19Å; E416-V422 WeakPolarHBondContact OE2-CG2 3.3Å; E416-V422 PolarHBondContact OE2-N 2.89Å; G420-V422 PolarHBondContact O-N 3.3Å; G420-V422 VanDerWaalsContact O-N 3.11Å; V422-S424 PolarHBondContact O-N 3.44Å; V422-M425 WeakPolarHBondContact O-CB 3.48Å; V422-M425 PolarHBondContact O-N 2.79Å; V422-M425 VanDerWaalsContact O-N 3.16Å; V422-R426 HydrophobicContact CG1-CG 4.28Å; V422-R426 WeakPolarHBondContact O-CG 3.36Å; V422-R426 PolarHBondContact O-N 3.3Å
423	A	89.6	Confident	90.6	Very high	59 Å²	59	48.2 Å²	48.2	49%	0.488	25%	0.253	S	S	.	.	H	α-helix	trans	-61.3	-45.8	176.7	0	0	0	0	0	111.3	S421 M425 R426 Q427	S421-A423 VanDerWaalsContact C-N 3.27Å; S421-A423 PolarHBondContact O-N 2.69Å; S421-A423 PolarHBondContact OG-N 3.25Å; A423-M425 VanDerWaalsContact C-N 3.29Å; A423-M425 PolarHBondContact O-N 3.33Å; A423-R426 PolarHBondContact O-N 2.72Å; A423-Q427 WeakPolarHBondContact O-CG 3Å; A423-Q427 PolarHBondContact O-N 3.11Å
424	S	90.3	Very high	90.5	Very high	56 Å²	56	50.9 Å²	50.9	39%	0.392	27%	0.265	S	S	.	.	H	α-helix	trans	-65.9	-32.1	175.2	-56.7	0	0	0	0	112.1	S421 V422 R428	S421-S424 PolarHBondContact O-N 2.89Å; S421-S424 PolarHBondContact OG-N 3.24Å; S421-S424 VanDerWaalsContact OG-N 3.16Å; S421-S424 PolarHBondContact OG-OG 3.47Å; V422-S424 PolarHBondContact O-N 3.44Å; S424-R428 WeakPolarHBondContact O-CG 3.21Å; S424-R428 PolarHBondContact O-N 2.7Å; S424-R428 PolarHBondContact O-NE 2.91Å
425	M	90.8	Very high	90.3	Very high	9 Å²	9	51.2 Å²	51.2	4%	0.044	27%	0.267	C	S	.	.	H	α-helix	trans	-65.9	-45.7	172.6	-169.8	-175.2	-69.5	0	0	112.2	R378 L382 V415 V419 S421 V422 A423 Q427 R428 F429	R378-M425 HydrophobicContact CG-SD 4.48Å; L382-M425 HydrophobicContact CD2-CG 4.02Å; L382-M425 HydrophobicContact CG-CG 4.37Å; L382-M425 HydrophobicContact CG-SD 4.35Å; V415-M425 HydrophobicContact CG1-CE 3.83Å; V415-M425 HydrophobicContact CG1-SD 4.45Å; V419-M425 HydrophobicContact CB-CE 4.48Å; V419-M425 HydrophobicContact CG1-CE 4.08Å; S421-M425 PolarHBondContact O-N 3.39Å; S421-M425 VanDerWaalsContact O-N 3.1Å; V422-M425 WeakPolarHBondContact O-CB 3.48Å; V422-M425 PolarHBondContact O-N 2.79Å; V422-M425 VanDerWaalsContact O-N 3.16Å; A423-M425 VanDerWaalsContact C-N 3.29Å; A423-M425 PolarHBondContact O-N 3.33Å; M425-Q427 VanDerWaalsContact C-N 3.33Å; M425-Q427 PolarHBondContact O-N 3.09Å; M425-R428 PolarHBondContact O-N 3.08Å; M425-F429 PolarHBondContact O-N 2.78Å; M425-F429 VanDerWaalsContact O-N 3.14Å
426	R	91.7	Very high	90	Very high	54 Å²	54	54 Å²	54	20%	0.204	29%	0.286	C	S	.	.	H	α-helix	trans	-68.2	-29.3	178.8	-70.1	177.6	-177.8	170.1	6.3	113.1	G381 L382 N384 A386 V422 A423 F429	G381-R426 PolarHBondContact O-NE 3.35Å; G381-R426 PolarHBondContact O-NH2 2.98Å; L382-R426 HydrophobicContact CD2-CB 4.47Å; L382-R426 HydrophobicContact CD2-CG 4.01Å; N384-R426 PolarHBondContact O-NH2 3.36Å; N384-R426 PolarHBondContact OD1-NH2 3.18Å; A386-R426 VanDerWaalsContact O-CZ 3.31Å; A386-R426 PolarHBondContact O-NH1 3.23Å; A386-R426 PolarHBondContact O-NH2 2.81Å; V422-R426 HydrophobicContact CG1-CG 4.28Å; V422-R426 WeakPolarHBondContact O-CG 3.36Å; V422-R426 PolarHBondContact O-N 3.3Å; A423-R426 PolarHBondContact O-N 2.72Å; R426-F429 CarbonylContact O-C 3.46Å; R426-F429 VanDerWaalsContact O-O 3.13Å
427	Q	89.8	Confident	89.6	Confident	124 Å²	124	57.7 Å²	57.7	58%	0.579	30%	0.301	S	S	*	.	H	α-helix	trans	-67.9	-45.2	172	-74.9	175.1	-6.5	0	0	112	A423 M425 F429 K430	A423-Q427 WeakPolarHBondContact O-CG 3Å; A423-Q427 PolarHBondContact O-N 3.11Å; M425-Q427 VanDerWaalsContact C-N 3.33Å; M425-Q427 PolarHBondContact O-N 3.09Å; Q427-F429 VanDerWaalsContact C-N 3.27Å; Q427-F429 PolarHBondContact O-N 3.24Å; Q427-K430 WeakPolarHBondContact O-CG 3.39Å
428	R	89.3	Confident	88.9	Confident	128 Å²	128	58.3 Å²	58.3	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-29.2	177.3	-73	-179.6	-64.2	166.9	-0.4	113.6	S424 M425 A450 E451	S424-R428 WeakPolarHBondContact O-CG 3.21Å; S424-R428 PolarHBondContact O-N 2.7Å; S424-R428 PolarHBondContact O-NE 2.91Å; M425-R428 PolarHBondContact O-N 3.08Å; R428-A450 CarbonylContact O-C 3.53Å; R428-E451 WeakPolarHBondContact O-CB 3.39Å; R428-E451 PolarHBondContact O-N 2.92Å
429	F	90.2	Very high	88.1	Confident	47 Å²	47	62.3 Å²	62.3	21%	0.206	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	82.3	178.7	-64.8	-78.6	0	0	0	110.5	L382 M425 R426 Q427 K431 N448 A449 A450	L382-F429 HydrophobicContact CD1-CB 3.56Å; L382-F429 HydrophobicContact CD1-CD2 3.9Å; L382-F429 HydrophobicContact CD1-CG 3.79Å; L382-F429 HydrophobicContact CD2-CB 3.84Å; L382-F429 HydrophobicContact CG-CB 4.38Å; M425-F429 PolarHBondContact O-N 2.78Å; M425-F429 VanDerWaalsContact O-N 3.14Å; R426-F429 CarbonylContact O-C 3.46Å; R426-F429 VanDerWaalsContact O-O 3.13Å; Q427-F429 VanDerWaalsContact C-N 3.27Å; Q427-F429 PolarHBondContact O-N 3.24Å; F429-K431 PolarHBondContact O-N 2.86Å; F429-N448 HydrophobicContact CB-CB 4.3Å; F429-N448 PolarHBondContact O-ND2 2.84Å; F429-A449 CarbonylContact C-O 3.54Å; F429-A449 WeakPolarHBondContact CA-O 3.34Å; F429-A450 HydrophobicContact CD1-CB 4.39Å; F429-A450 HydrophobicContact CE1-CB 4.33Å
430	K	89.5	Confident	87.6	Confident	108 Å²	108	65 Å²	65	47%	0.47	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	126.9	-175.9	-66.1	-175	-178	171.3	0	110.6	Q427 I432 N448 A449 E451	Q427-K430 WeakPolarHBondContact O-CG 3.39Å; K430-I432 PolarHBondContact O-N 3.21Å; K430-N448 CarbonylContact O-C 3.54Å; K430-N448 VanDerWaalsContact O-CA 3.28Å; K430-N448 WeakPolarHBondContact O-CA 3.42Å; K430-A449 PolarHBondContact N-O 3.04Å; K430-A449 PolarHBondContact O-N 2.85Å; K430-E451 IonicContact NZ-OE1 3.8Å; K430-E451 PolarHBondContact NZ-OE1 2.91Å
431	K	90.8	Very high	87.3	Confident	87 Å²	87	67 Å²	67	38%	0.378	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	121.1	175	-175.5	-172	-70.6	-174.9	0	109.3	F429 E434 T446	F429-K431 PolarHBondContact O-N 2.86Å; K431-E434 HydrophobicContact CD-CB 4.1Å; K431-E434 HydrophobicContact CD-CG 4.26Å; K431-E434 WeakPolarHBondContact CD-OE2 3.3Å; K431-E434 IonicContact NZ-OE2 3.23Å; K431-E434 PolarHBondContact NZ-OE2 3.42Å; K431-T446 HydrophobicContact CD-CG2 4.33Å
432	I	90.1	Very high	87.1	Confident	71 Å²	71	68.9 Å²	68.9	36%	0.364	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-44	178.8	-60.3	164.6	0	0	0	110.5	K430 V447 A449 F526	K430-I432 PolarHBondContact O-N 3.21Å; I432-V447 PolarHBondContact N-O 3.33Å; I432-A449 HydrophobicContact CD1-CB 3.49Å; I432-A449 VanDerWaalsContact CD1-CB 3.49Å; I432-A449 HydrophobicContact CG1-CB 4.28Å; I432-F526 HydrophobicContact CD1-CE2 4.44Å; I432-F526 HydrophobicContact CG2-CD2 3.76Å
433	C	90.6	Very high	87.1	Confident	13 Å²	13	69 Å²	69	9%	0.088	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.9	-176.6	-175.5	0	0	0	0	109.7	T446 V447 F526 G528	C433-T446 WeakPolarHBondContact O-CA 3.1Å; C433-V447 HydrophobicContact CB-CB 4.15Å; C433-V447 HydrophobicContact CB-CG2 4.14Å; C433-V447 PolarHBondContact N-O 2.95Å; C433-V447 PolarHBondContact O-N 3.43Å; C433-F526 HydrophobicContact CB-CB 3.57Å; C433-F526 HydrophobicContact CB-CG 4.48Å; C433-G528 PolarHBondContact SG-N 2.63Å; C433-G528 VanDerWaalsContact SG-N 3.43Å
434	E	90.8	Very high	87.3	Confident	70 Å²	70	66.8 Å²	66.8	33%	0.327	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.8	173	57.3	169.3	-140.5	0	0	112.7	R385 K431 V445 T446	R385-E434 IonicContact CZ-OE1 3.21Å; R385-E434 IonicContact NE-OE1 2.92Å; R385-E434 PolarHBondContact NE-OE1 3.3Å; R385-E434 IonicContact NE-OE2 3.79Å; R385-E434 IonicContact NH2-OE1 3.44Å; R385-E434 PolarHBondContact NH2-OE1 3.11Å; K431-E434 HydrophobicContact CD-CB 4.1Å; K431-E434 HydrophobicContact CD-CG 4.26Å; K431-E434 WeakPolarHBondContact CD-OE2 3.3Å; K431-E434 IonicContact NZ-OE2 3.23Å; K431-E434 PolarHBondContact NZ-OE2 3.42Å; E434-V445 CarbonylContact C-O 3.54Å; E434-V445 VanDerWaalsContact CA-O 3.28Å; E434-V445 WeakPolarHBondContact CA-O 3.38Å; E434-T446 HydrophobicContact CB-CG2 4.08Å
435	I	90.7	Very high	87.5	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.082	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.6	167	-56.1	177.4	0	0	0	106.4	A444 V445 V531 F533 L535	I435-A444 WeakPolarHBondContact O-CA 3.21Å; I435-V445 HydrophobicContact CB-CB 4Å; I435-V445 HydrophobicContact CB-CG2 4.3Å; I435-V445 HydrophobicContact CD1-CB 4.16Å; I435-V445 HydrophobicContact CD1-CG2 4.2Å; I435-V445 HydrophobicContact CG1-CB 4.21Å; I435-V445 PolarHBondContact N-O 2.94Å; I435-V445 PolarHBondContact O-N 2.96Å; I435-V531 HydrophobicContact CD1-CG1 4.23Å; I435-V531 HydrophobicContact CD1-CG2 3.62Å; I435-F533 HydrophobicContact CD1-CE2 4.12Å; I435-F533 HydrophobicContact CD1-CZ 3.82Å; I435-F533 HydrophobicContact CG1-CZ 4.26Å; I435-L535 HydrophobicContact CD1-CD2 4.32Å
436	P	85.9	Confident	87.6	Confident	59 Å²	59	64 Å²	64	38%	0.383	32%	0.317	S	S	.	.			trans	-52.4	153.1	174.2	10.7	-22.1	0	0	0	112.1	R385 N438	R385-P436 VanDerWaalsContact NH2-CB 3.26Å; P436-N438 PolarHBondContact O-N 3.49Å
437	F	85.1	Confident	87.7	Confident	111 Å²	111	61.4 Å²	61.4	49%	0.487	31%	0.308	S	S	.	.			trans	-58.7	128.6	162.7	-176	-91.9	0	0	0	109.8	K442 A444	F437-K442 VanDerWaalsContact CE2-C 3.44Å; F437-A444 HydrophobicContact CB-CB 4.13Å
438	N	75.6	Confident	87.8	Confident	71 Å²	71	55.7 Å²	55.7	38%	0.38	28%	0.281	S	S	.	.			trans	-125.7	135.9	173.3	-177.2	-15.4	0	0	0	108.5	P436 T440 N441 K442	P436-N438 PolarHBondContact O-N 3.49Å; N438-T440 PolarHBondContact O-N 3.18Å; N438-T440 PolarHBondContact OD1-N 2.96Å; N438-T440 VanDerWaalsContact OD1-N 3.09Å; N438-T440 PolarHBondContact OD1-OG1 3.35Å; N438-N441 HydrophobicContact CB-CB 4.43Å; N438-N441 PolarHBondContact O-N 2.98Å; N438-N441 VanDerWaalsContact O-N 3.14Å; N438-K442 PolarHBondContact O-N 2.87Å
439	S	71.6	Confident	87.8	Confident	93 Å²	93	49.7 Å²	49.7	65%	0.65	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.3	178.7	48.9	0	0	0	0	113.1	K442	S439-K442 WeakPolarHBondContact O-CG 3.4Å
440	T	75.7	Confident	87.5	Confident	110 Å²	110	48 Å²	48	68%	0.675	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-45	175.9	-50	0	0	0	0	111.8	N438	N438-T440 PolarHBondContact O-N 3.18Å; N438-T440 PolarHBondContact OD1-N 2.96Å; N438-T440 VanDerWaalsContact OD1-N 3.09Å; N438-T440 PolarHBondContact OD1-OG1 3.35Å
441	N	82.2	Confident	87.1	Confident	69 Å²	69	47.3 Å²	47.3	37%	0.369	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-30.6	-175.4	-70.5	-7.7	0	0	0	112.6	N438 F443	N438-N441 HydrophobicContact CB-CB 4.43Å; N438-N441 PolarHBondContact O-N 2.98Å; N438-N441 VanDerWaalsContact O-N 3.14Å; N441-F443 VanDerWaalsContact C-N 3.25Å; N441-F443 HydrophobicContact CB-CD1 4.09Å; N441-F443 HydrophobicContact CB-CE1 3.7Å; N441-F443 HydrophobicContact CB-CE2 4.46Å; N441-F443 HydrophobicContact CB-CZ 3.91Å; N441-F443 WeakPolarHBondContact O-CD1 3.43Å; N441-F443 WeakPolarHBondContact O-CE1 3.1Å; N441-F443 PolarHBondContact O-N 2.97Å
442	K	87.5	Confident	86.5	Confident	89 Å²	89	47 Å²	47	39%	0.387	26%	0.255	S	S	.	.			trans	60.2	22.9	-177.3	-55.6	-173.8	175.4	-172.2	0	115.7	F437 N438 S439 G464 A465 R468	F437-K442 VanDerWaalsContact CE2-C 3.44Å; N438-K442 PolarHBondContact O-N 2.87Å; S439-K442 WeakPolarHBondContact O-CG 3.4Å; K442-G464 VanDerWaalsContact O-CA 3.28Å; K442-G464 WeakPolarHBondContact O-CA 3.35Å; K442-A465 HydrophobicContact CB-CB 4.05Å; K442-A465 HydrophobicContact CD-CB 4.32Å; K442-A465 PolarHBondContact O-N 2.79Å; K442-R468 HydrophobicContact CB-CG 4.21Å; K442-R468 HydrophobicContact CD-CG 4.43Å
443	F	92.2	Very high	85.6	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.6	172.4	60.7	-99.4	0	0	0	111.1	N441 V445 M462 K463 I469 L535	N441-F443 VanDerWaalsContact C-N 3.25Å; N441-F443 HydrophobicContact CB-CD1 4.09Å; N441-F443 HydrophobicContact CB-CE1 3.7Å; N441-F443 HydrophobicContact CB-CE2 4.46Å; N441-F443 HydrophobicContact CB-CZ 3.91Å; N441-F443 WeakPolarHBondContact O-CD1 3.43Å; N441-F443 WeakPolarHBondContact O-CE1 3.1Å; N441-F443 PolarHBondContact O-N 2.97Å; F443-V445 HydrophobicContact CD2-CG2 3.61Å; F443-V445 HydrophobicContact CE2-CG2 3.79Å; F443-M462 HydrophobicContact CB-CG 4.26Å; F443-M462 HydrophobicContact CB-SD 4.42Å; F443-M462 HydrophobicContact CD2-CE 4.05Å; F443-M462 HydrophobicContact CD2-SD 4.37Å; F443-M462 HydrophobicContact CE2-CE 4.25Å; F443-M462 HydrophobicContact CG-SD 4.36Å; F443-K463 CarbonylContact C-O 3.45Å; F443-K463 VanDerWaalsContact CA-O 3.26Å; F443-K463 WeakPolarHBondContact CA-O 3.47Å; F443-K463 WeakPolarHBondContact CB-O 3.46Å; F443-I469 HydrophobicContact CB-CD1 4.22Å; F443-L535 HydrophobicContact CZ-CD1 4.47Å
444	A	92.7	Very high	85	Confident	11 Å²	11	54.9 Å²	54.9	9%	0.091	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.6	169.6	0	0	0	0	0	109.1	I435 F437 M462 K463	I435-A444 WeakPolarHBondContact O-CA 3.21Å; F437-A444 HydrophobicContact CB-CB 4.13Å; A444-M462 WeakPolarHBondContact O-CA 3.42Å; A444-M462 WeakPolarHBondContact O-CG 3.47Å; A444-K463 HydrophobicContact CB-CG 4.3Å; A444-K463 PolarHBondContact N-O 3.14Å; A444-K463 PolarHBondContact O-N 3.09Å; A444-K463 VanDerWaalsContact O-N 3.08Å
445	V	93.9	Very high	84.5	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.4	-177.6	-169.8	0	0	0	0	110	E434 I435 F443 I460 Y461 M462 F533 L535	E434-V445 CarbonylContact C-O 3.54Å; E434-V445 VanDerWaalsContact CA-O 3.28Å; E434-V445 WeakPolarHBondContact CA-O 3.38Å; I435-V445 HydrophobicContact CB-CB 4Å; I435-V445 HydrophobicContact CB-CG2 4.3Å; I435-V445 HydrophobicContact CD1-CB 4.16Å; I435-V445 HydrophobicContact CD1-CG2 4.2Å; I435-V445 HydrophobicContact CG1-CB 4.21Å; I435-V445 PolarHBondContact N-O 2.94Å; I435-V445 PolarHBondContact O-N 2.96Å; F443-V445 HydrophobicContact CD2-CG2 3.61Å; F443-V445 HydrophobicContact CE2-CG2 3.79Å; V445-I460 HydrophobicContact CG1-CG2 3.31Å; V445-Y461 CarbonylContact C-O 3.38Å; V445-Y461 WeakPolarHBondContact CA-O 3.45Å; V445-M462 HydrophobicContact CG2-CB 4.41Å; V445-M462 HydrophobicContact CG2-CE 3.48Å; V445-M462 VanDerWaalsContact CG2-CE 3.48Å; V445-M462 HydrophobicContact CG2-CG 4.12Å; V445-F533 HydrophobicContact CG1-CE2 4.21Å; V445-L535 HydrophobicContact CG2-CD2 4.2Å
446	T	94.1	Very high	83.9	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.6	168.2	59.7	0	0	0	0	109.8	K431 C433 E434 N448 I460 Y461	K431-T446 HydrophobicContact CD-CG2 4.33Å; C433-T446 WeakPolarHBondContact O-CA 3.1Å; E434-T446 HydrophobicContact CB-CG2 4.08Å; T446-N448 WeakPolarHBondContact CB-OD1 3.2Å; T446-N448 PolarHBondContact OG1-OD1 3.31Å; T446-N448 VanDerWaalsContact OG1-OD1 3.05Å; T446-I460 WeakPolarHBondContact O-CA 3.39Å; T446-Y461 PolarHBondContact N-O 3.03Å; T446-Y461 PolarHBondContact O-N 2.72Å
447	V	93.6	Very high	83.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.9	171.1	-173	0	0	0	0	107.4	I432 C433 C458 I460 L515 F526 F533	I432-V447 PolarHBondContact N-O 3.33Å; C433-V447 HydrophobicContact CB-CB 4.15Å; C433-V447 HydrophobicContact CB-CG2 4.14Å; C433-V447 PolarHBondContact N-O 2.95Å; C433-V447 PolarHBondContact O-N 3.43Å; V447-C458 HydrophobicContact CG1-CB 4.24Å; V447-I460 HydrophobicContact CG2-CG1 4.21Å; V447-L515 HydrophobicContact CG1-CD1 4.34Å; V447-F526 HydrophobicContact CG1-CD1 4.18Å; V447-F526 HydrophobicContact CG1-CD2 4.33Å; V447-F526 HydrophobicContact CG1-CE1 4.04Å; V447-F526 HydrophobicContact CG1-CE2 4.18Å; V447-F526 HydrophobicContact CG1-CG 4.32Å; V447-F526 HydrophobicContact CG1-CZ 4.03Å; V447-F526 HydrophobicContact CG2-CD1 4.4Å; V447-F533 HydrophobicContact CG2-CD2 4.47Å; V447-F533 HydrophobicContact CG2-CE1 4.26Å; V447-F533 HydrophobicContact CG2-CE2 4.14Å; V447-F533 HydrophobicContact CG2-CZ 4.01Å
448	N	92.4	Very high	84.1	Confident	5 Å²	5	50 Å²	50	3%	0.027	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.6	-176	-63.6	64.2	0	0	0	110.5	F429 K430 T446 C458 T459 Y461	F429-N448 HydrophobicContact CB-CB 4.3Å; F429-N448 PolarHBondContact O-ND2 2.84Å; K430-N448 CarbonylContact O-C 3.54Å; K430-N448 VanDerWaalsContact O-CA 3.28Å; K430-N448 WeakPolarHBondContact O-CA 3.42Å; T446-N448 WeakPolarHBondContact CB-OD1 3.2Å; T446-N448 PolarHBondContact OG1-OD1 3.31Å; T446-N448 VanDerWaalsContact OG1-OD1 3.05Å; N448-C458 WeakPolarHBondContact O-CA 3.27Å; N448-T459 PolarHBondContact N-O 3.16Å; N448-T459 PolarHBondContact O-N 2.77Å; N448-Y461 HydrophobicContact CB-CD2 4.15Å; N448-Y461 HydrophobicContact CB-CE2 3.89Å
449	A	89.3	Confident	84.9	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.5	169.2	0	0	0	0	0	110.6	F429 K430 I432 R522	F429-A449 CarbonylContact C-O 3.54Å; F429-A449 WeakPolarHBondContact CA-O 3.34Å; K430-A449 PolarHBondContact N-O 3.04Å; K430-A449 PolarHBondContact O-N 2.85Å; I432-A449 HydrophobicContact CD1-CB 3.49Å; I432-A449 VanDerWaalsContact CD1-CB 3.49Å; I432-A449 HydrophobicContact CG1-CB 4.28Å; A449-R522 HydrophobicContact CB-CG 4.48Å
450	A	84.2	Confident	86	Confident	11 Å²	11	43 Å²	43	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	147.9	173	0	0	0	0	0	111.1	R428 F429 D452 D455 R522	R428-A450 CarbonylContact O-C 3.53Å; F429-A450 HydrophobicContact CD1-CB 4.39Å; F429-A450 HydrophobicContact CE1-CB 4.33Å; A450-D452 VanDerWaalsContact C-N 3.27Å; A450-D452 PolarHBondContact O-N 2.89Å; A450-D455 HydrophobicContact CB-CB 4.06Å; A450-R522 VanDerWaalsContact O-CZ 3.3Å; A450-R522 PolarHBondContact O-NH1 3.44Å; A450-R522 PolarHBondContact O-NH2 2.61Å
451	E	79	Confident	87	Confident	93 Å²	93	37.9 Å²	37.9	44%	0.435	21%	0.21	S	C	.	.	S	Bend	trans	-66.6	-32.8	176.5	-176.1	163	-140.1	0	0	111.6	R428 K430 P453	R428-E451 WeakPolarHBondContact O-CB 3.39Å; R428-E451 PolarHBondContact O-N 2.92Å; K430-E451 IonicContact NZ-OE1 3.8Å; K430-E451 PolarHBondContact NZ-OE1 2.91Å; E451-P453 VanDerWaalsContact O-CD 3.3Å; E451-P453 WeakPolarHBondContact O-CD 3.22Å
452	D	79.4	Confident	87.6	Confident	82 Å²	82	34.6 Å²	34.6	44%	0.439	19%	0.192	S	C	.	.			trans	-54.7	118.5	176.6	-169.5	-12	0	0	0	110.3	A450 N454 D455 R522	A450-D452 VanDerWaalsContact C-N 3.27Å; A450-D452 PolarHBondContact O-N 2.89Å; D452-N454 PolarHBondContact O-N 2.79Å; D452-N454 WeakPolarHBondContact OD1-CB 3.38Å; D452-N454 PolarHBondContact OD1-N 3.26Å; D452-N454 PolarHBondContact OD1-ND2 3.28Å; D452-N454 VanDerWaalsContact OD1-ND2 3.16Å; D452-D455 HydrophobicContact CB-CB 4.32Å; D452-D455 PolarHBondContact O-N 2.58Å; D452-R522 PolarHBondContact O-NH1 3.25Å
453	P	71.2	Confident	88	Confident	110 Å²	110	31 Å²	31	71%	0.714	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.7	175.6	-22.9	33.9	0	0	0	113.2	E451 D455	E451-P453 VanDerWaalsContact O-CD 3.3Å; E451-P453 WeakPolarHBondContact O-CD 3.22Å; P453-D455 VanDerWaalsContact C-N 3.31Å
454	N	77	Confident	88.1	Confident	139 Å²	139	30.8 Å²	30.8	74%	0.743	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-11.9	-178.6	-58.4	-49.5	0	0	0	113.4	D452 P456	D452-N454 PolarHBondContact O-N 2.79Å; D452-N454 WeakPolarHBondContact OD1-CB 3.38Å; D452-N454 PolarHBondContact OD1-N 3.26Å; D452-N454 PolarHBondContact OD1-ND2 3.28Å; D452-N454 VanDerWaalsContact OD1-ND2 3.16Å; N454-P456 WeakPolarHBondContact O-CD 3.34Å
455	D	80.2	Confident	88.1	Confident	54 Å²	54	31.1 Å²	31.1	29%	0.289	18%	0.179	S	C	.	.			trans	-98.8	101.2	175.5	-171.9	-4.4	0	0	0	109.5	A450 D452 P453 T457	A450-D455 HydrophobicContact CB-CB 4.06Å; D452-D455 HydrophobicContact CB-CB 4.32Å; D452-D455 PolarHBondContact O-N 2.58Å; P453-D455 VanDerWaalsContact C-N 3.31Å; D455-T457 VanDerWaalsContact CG-OG1 3.28Å; D455-T457 PolarHBondContact O-N 3.02Å; D455-T457 VanDerWaalsContact OD1-CB 3.23Å; D455-T457 WeakPolarHBondContact OD1-CB 3.46Å; D455-T457 VanDerWaalsContact OD1-CG2 3.25Å; D455-T457 WeakPolarHBondContact OD1-CG2 3.35Å; D455-T457 PolarHBondContact OD1-N 3.21Å; D455-T457 PolarHBondContact OD1-OG1 3.04Å; D455-T457 PolarHBondContact OD2-OG1 3Å
456	P	79.1	Confident	88	Confident	57 Å²	57	31.2 Å²	31.2	37%	0.37	18%	0.18	S	C	.	.			trans	-78.7	-0.4	178.5	34.6	-37.2	0	0	0	112.5	N454 V517	N454-P456 WeakPolarHBondContact O-CD 3.34Å; P456-V517 HydrophobicContact CB-CG1 3.83Å; P456-V517 HydrophobicContact CB-CG2 4.48Å; P456-V517 HydrophobicContact CG-CG1 3.84Å; P456-V517 HydrophobicContact CG-CG2 4.05Å
457	T	85.4	Confident	87.9	Confident	40 Å²	40	34 Å²	34	25%	0.245	19%	0.193	C	C	.	.			trans	-74.2	134.8	-173.2	68.1	0	0	0	0	112.1	D455 T514 V517	D455-T457 VanDerWaalsContact CG-OG1 3.28Å; D455-T457 PolarHBondContact O-N 3.02Å; D455-T457 VanDerWaalsContact OD1-CB 3.23Å; D455-T457 WeakPolarHBondContact OD1-CB 3.46Å; D455-T457 VanDerWaalsContact OD1-CG2 3.25Å; D455-T457 WeakPolarHBondContact OD1-CG2 3.35Å; D455-T457 PolarHBondContact OD1-N 3.21Å; D455-T457 PolarHBondContact OD1-OG1 3.04Å; D455-T457 PolarHBondContact OD2-OG1 3Å; T457-T514 HydrophobicContact CG2-CG2 4.49Å; T457-V517 HydrophobicContact CG2-CG2 3.96Å
458	C	90	Very high	87.9	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.9	167.3	-66.1	0	0	0	0	108.3	V447 N448 L515 F526	V447-C458 HydrophobicContact CG1-CB 4.24Å; N448-C458 WeakPolarHBondContact O-CA 3.27Å; C458-L515 HydrophobicContact CB-CD1 4.01Å; C458-L515 WeakPolarHBondContact O-CB 3.38Å; C458-L515 PolarHBondContact O-N 3.1Å; C458-F526 HydrophobicContact CB-CZ 4.16Å
459	T	92.5	Very high	88	Confident	17 Å²	17	38.5 Å²	38.5	10%	0.104	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.6	177.6	-57.2	0	0	0	0	109.5	N448 Y461 D512	N448-T459 PolarHBondContact N-O 3.16Å; N448-T459 PolarHBondContact O-N 2.77Å; T459-Y461 HydrophobicContact CG2-CD1 4.02Å; T459-Y461 HydrophobicContact CG2-CE1 3.48Å; T459-Y461 VanDerWaalsContact CG2-CE1 3.48Å; T459-Y461 HydrophobicContact CG2-CE2 4.23Å; T459-D512 HydrophobicContact CG2-CB 4.28Å
460	I	94.5	Very high	88.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.8	171.1	-52.8	-177.4	0	0	0	107.8	V445 T446 V447 D512 Y513 L515 F533 P534 F538	V445-I460 HydrophobicContact CG1-CG2 3.31Å; T446-I460 WeakPolarHBondContact O-CA 3.39Å; V447-I460 HydrophobicContact CG2-CG1 4.21Å; I460-D512 CarbonylContact O-C 3.49Å; I460-D512 VanDerWaalsContact O-CA 3.25Å; I460-D512 WeakPolarHBondContact O-CA 3.47Å; I460-Y513 HydrophobicContact CD1-CD1 4.44Å; I460-Y513 PolarHBondContact N-O 2.81Å; I460-Y513 PolarHBondContact O-N 3.49Å; I460-L515 HydrophobicContact CD1-CD1 3.99Å; I460-L515 HydrophobicContact CD1-CD2 3.78Å; I460-L515 HydrophobicContact CD1-CG 3.99Å; I460-L515 HydrophobicContact CG1-CD1 3.8Å; I460-L515 HydrophobicContact CG1-CD2 4.31Å; I460-L515 HydrophobicContact CG1-CG 3.94Å; I460-F533 HydrophobicContact CD1-CB 4.34Å; I460-F533 HydrophobicContact CD1-CD2 3.69Å; I460-F533 HydrophobicContact CD1-CE2 4.44Å; I460-F533 HydrophobicContact CD1-CG 4.34Å; I460-P534 HydrophobicContact CD1-CG 4.45Å; I460-F538 HydrophobicContact CB-CE1 3.95Å; I460-F538 HydrophobicContact CG2-CE1 3.61Å; I460-F538 HydrophobicContact CG2-CZ 4.02Å
461	Y	95.8	Very high	88.5	Confident	3 Å²	3	44 Å²	44	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.9	171.6	-61.6	-57.8	0	0	0	109.1	R378 I379 L382 V445 T446 N448 T459 D512	R378-Y461 WeakPolarHBondContact CD-OH 3.36Å; I379-Y461 HydrophobicContact CB-CD1 4.44Å; I379-Y461 HydrophobicContact CG1-CD1 3.68Å; I379-Y461 HydrophobicContact CG1-CE1 4.14Å; L382-Y461 HydrophobicContact CB-CD2 4.02Å; L382-Y461 HydrophobicContact CB-CE2 4.29Å; L382-Y461 HydrophobicContact CD1-CD2 3.91Å; L382-Y461 HydrophobicContact CD1-CE2 3.3Å; L382-Y461 HydrophobicContact CG-CE2 4.44Å; V445-Y461 CarbonylContact C-O 3.38Å; V445-Y461 WeakPolarHBondContact CA-O 3.45Å; T446-Y461 PolarHBondContact N-O 3.03Å; T446-Y461 PolarHBondContact O-N 2.72Å; N448-Y461 HydrophobicContact CB-CD2 4.15Å; N448-Y461 HydrophobicContact CB-CE2 3.89Å; T459-Y461 HydrophobicContact CG2-CD1 4.02Å; T459-Y461 HydrophobicContact CG2-CE1 3.48Å; T459-Y461 VanDerWaalsContact CG2-CE1 3.48Å; T459-Y461 HydrophobicContact CG2-CE2 4.23Å; Y461-D512 HydrophobicContact CD1-CB 3.77Å; Y461-D512 HydrophobicContact CE1-CB 3.98Å
462	M	95.7	Very high	89.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137.1	-179.3	178.1	-173.3	-72.6	0	0	110.4	F443 A444 V445 I469 C511 L535 F538	F443-M462 HydrophobicContact CB-CG 4.26Å; F443-M462 HydrophobicContact CB-SD 4.42Å; F443-M462 HydrophobicContact CD2-CE 4.05Å; F443-M462 HydrophobicContact CD2-SD 4.37Å; F443-M462 HydrophobicContact CE2-CE 4.25Å; F443-M462 HydrophobicContact CG-SD 4.36Å; A444-M462 WeakPolarHBondContact O-CA 3.42Å; A444-M462 WeakPolarHBondContact O-CG 3.47Å; V445-M462 HydrophobicContact CG2-CB 4.41Å; V445-M462 HydrophobicContact CG2-CE 3.48Å; V445-M462 VanDerWaalsContact CG2-CE 3.48Å; V445-M462 HydrophobicContact CG2-CG 4.12Å; M462-I469 HydrophobicContact CG-CD1 3.6Å; M462-I469 HydrophobicContact SD-CD1 3.71Å; M462-C511 PolarHBondContact N-O 3.47Å; M462-C511 PolarHBondContact O-N 3.05Å; M462-L535 HydrophobicContact CE-CD2 3.95Å; M462-F538 HydrophobicContact CB-CE1 4.44Å; M462-F538 HydrophobicContact CE-CD2 4.37Å; M462-F538 HydrophobicContact CE-CE1 4.37Å; M462-F538 HydrophobicContact CE-CE2 3.45Å; M462-F538 VanDerWaalsContact CE-CE2 3.45Å; M462-F538 HydrophobicContact CE-CZ 3.49Å; M462-F538 VanDerWaalsContact CE-CZ 3.49Å; M462-F538 HydrophobicContact SD-CD2 4.43Å; M462-F538 HydrophobicContact SD-CE2 4.04Å; M462-F538 HydrophobicContact SD-CZ 4.35Å
463	K	95.8	Very high	90	Very high	13 Å²	13	39.5 Å²	39.5	6%	0.057	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.6	170.7	73.8	178.1	179.7	-168.3	0	110.7	C383 D408 L411 F443 A444 G509 F510	C383-K463 WeakPolarHBondContact O-CD 3.48Å; C383-K463 WeakPolarHBondContact O-CE 3.45Å; C383-K463 PolarHBondContact O-NZ 2.81Å; D408-K463 WeakPolarHBondContact OD1-CE 3.16Å; D408-K463 IonicContact OD1-NZ 2.95Å; D408-K463 PolarHBondContact OD1-NZ 3.44Å; D408-K463 IonicContact OD2-NZ 2.85Å; D408-K463 PolarHBondContact OD2-NZ 2.77Å; L411-K463 HydrophobicContact CD1-CD 4.35Å; F443-K463 CarbonylContact C-O 3.45Å; F443-K463 VanDerWaalsContact CA-O 3.26Å; F443-K463 WeakPolarHBondContact CA-O 3.47Å; F443-K463 WeakPolarHBondContact CB-O 3.46Å; A444-K463 HydrophobicContact CB-CG 4.3Å; A444-K463 PolarHBondContact N-O 3.14Å; A444-K463 PolarHBondContact O-N 3.09Å; A444-K463 VanDerWaalsContact O-N 3.08Å; K463-G509 VanDerWaalsContact CA-O 3.26Å; K463-G509 WeakPolarHBondContact CA-O 3.45Å; K463-F510 HydrophobicContact CB-CD1 3.81Å; K463-F510 HydrophobicContact CB-CE1 3.83Å; K463-F510 HydrophobicContact CD-CE1 4.27Å
464	G	93.9	Very high	91.1	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	-164.6	179.8	0	0	0	0	0	113.9	K442 L508 G509	K442-G464 VanDerWaalsContact O-CA 3.28Å; K442-G464 WeakPolarHBondContact O-CA 3.35Å; G464-L508 WeakPolarHBondContact O-CA 3.42Å; G464-G509 PolarHBondContact N-O 3.03Å; G464-G509 VanDerWaalsContact N-O 3.15Å; G464-G509 PolarHBondContact O-N 2.85Å
465	A	92.8	Very high	92	Very high	18 Å²	18	32.8 Å²	32.8	15%	0.149	17%	0.168	C	C	.	.			trans	-58.6	129.1	174.3	0	0	0	0	0	110.1	K442 E467 R468 I469	K442-A465 HydrophobicContact CB-CB 4.05Å; K442-A465 HydrophobicContact CD-CB 4.32Å; K442-A465 PolarHBondContact O-N 2.79Å; A465-E467 VanDerWaalsContact C-N 3.3Å; A465-E467 WeakPolarHBondContact CB-OE1 3.44Å; A465-E467 PolarHBondContact O-N 3.45Å; A465-R468 HydrophobicContact CB-CB 4.32Å; A465-R468 HydrophobicContact CB-CG 4.14Å; A465-R468 WeakPolarHBondContact O-CB 3.38Å; A465-R468 PolarHBondContact O-N 3.19Å; A465-I469 WeakPolarHBondContact O-CG1 3.19Å; A465-I469 PolarHBondContact O-N 2.87Å
466	P	93	Very high	92.7	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-48.8	-47.6	-171.8	-32.3	38.1	0	0	0	114.1	R468 I469 M470 F493 Y497 V507 L543	P466-R468 VanDerWaalsContact C-N 3.34Å; P466-R468 PolarHBondContact O-N 3.47Å; P466-I469 PolarHBondContact O-N 2.8Å; P466-M470 WeakPolarHBondContact O-CB 3.5Å; P466-M470 PolarHBondContact O-N 3.49Å; P466-F493 HydrophobicContact CB-CE2 4.29Å; P466-F493 HydrophobicContact CB-CZ 3.7Å; P466-F493 WeakPolarHBondContact O-CZ 3.33Å; P466-Y497 HydrophobicContact CB-CD2 4.01Å; P466-Y497 HydrophobicContact CB-CE2 4.07Å; P466-Y497 HydrophobicContact CG-CD2 3.95Å; P466-Y497 HydrophobicContact CG-CE2 3.77Å; P466-V507 VanDerWaalsContact CD-O 3.32Å; P466-V507 WeakPolarHBondContact CD-O 3.49Å; P466-V507 HydrophobicContact CG-CB 3.85Å; P466-V507 HydrophobicContact CG-CG1 3.72Å; P466-V507 WeakPolarHBondContact CG-O 3.44Å; P466-L543 HydrophobicContact CB-CD2 3.98Å; P466-L543 HydrophobicContact CG-CD2 4.25Å
467	E	91.5	Very high	93.4	Very high	64 Å²	64	28.2 Å²	28.2	30%	0.299	14%	0.141	S	C	.	.	H	α-helix	trans	-61.9	-40.7	-179.4	70.6	-73	178.6	0	0	112	A465 M470 E471	A465-E467 VanDerWaalsContact C-N 3.3Å; A465-E467 WeakPolarHBondContact CB-OE1 3.44Å; A465-E467 PolarHBondContact O-N 3.45Å; E467-M470 PolarHBondContact O-N 2.81Å; E467-E471 WeakPolarHBondContact O-CG 3.27Å; E467-E471 PolarHBondContact O-N 2.9Å
468	R	92.9	Very high	93.7	Very high	98 Å²	98	27 Å²	27	37%	0.37	13%	0.133	S	C	.	.	H	α-helix	trans	-70.5	-33.7	178.8	-66.3	-56.5	-162.1	-179.4	0.9	112.7	K442 A465 P466 E471 R472	K442-R468 HydrophobicContact CB-CG 4.21Å; K442-R468 HydrophobicContact CD-CG 4.43Å; A465-R468 HydrophobicContact CB-CB 4.32Å; A465-R468 HydrophobicContact CB-CG 4.14Å; A465-R468 WeakPolarHBondContact O-CB 3.38Å; A465-R468 PolarHBondContact O-N 3.19Å; P466-R468 VanDerWaalsContact C-N 3.34Å; P466-R468 PolarHBondContact O-N 3.47Å; R468-E471 IonicContact NH1-OE2 2.88Å; R468-E471 PolarHBondContact NH1-OE2 3.34Å; R468-R472 WeakPolarHBondContact O-CG 3.46Å
469	I	94.3	Very high	93.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.1	-44.8	175.7	-63.3	-59.1	0	0	0	109.8	F443 M462 A465 P466 E471 R472 C473 C511 F540	F443-I469 HydrophobicContact CB-CD1 4.22Å; M462-I469 HydrophobicContact CG-CD1 3.6Å; M462-I469 HydrophobicContact SD-CD1 3.71Å; A465-I469 WeakPolarHBondContact O-CG1 3.19Å; A465-I469 PolarHBondContact O-N 2.87Å; P466-I469 PolarHBondContact O-N 2.8Å; I469-E471 VanDerWaalsContact C-N 3.32Å; I469-E471 PolarHBondContact O-N 3.23Å; I469-R472 PolarHBondContact O-N 3.46Å; I469-C473 PolarHBondContact O-N 3.44Å; I469-C473 PolarHBondContact O-SG 3.39Å; I469-C511 HydrophobicContact CG2-CB 3.98Å; I469-F540 HydrophobicContact CG2-CD2 4.08Å; I469-F540 HydrophobicContact CG2-CE2 4.16Å
470	M	92.7	Very high	93.4	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.034	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-34.5	179.6	-172.1	54.4	78.3	0	0	113	P466 E467 R472 C473 L485 F493 F540	P466-M470 WeakPolarHBondContact O-CB 3.5Å; P466-M470 PolarHBondContact O-N 3.49Å; E467-M470 PolarHBondContact O-N 2.81Å; M470-R472 PolarHBondContact O-N 3.34Å; M470-C473 PolarHBondContact O-N 2.86Å; M470-L485 HydrophobicContact CE-CD1 4.49Å; M470-L485 HydrophobicContact SD-CD1 4.02Å; M470-L485 HydrophobicContact SD-CD2 3.48Å; M470-L485 WeakPolarHBondContact SD-CD2 3.47Å; M470-L485 HydrophobicContact SD-CG 4.36Å; M470-F493 HydrophobicContact CB-CE1 3.99Å; M470-F493 HydrophobicContact CB-CE2 4.34Å; M470-F493 HydrophobicContact CB-CZ 3.84Å; M470-F493 HydrophobicContact CE-CB 3.73Å; M470-F493 HydrophobicContact CE-CD1 3.82Å; M470-F493 HydrophobicContact CE-CD2 3.15Å; M470-F493 HydrophobicContact CE-CE1 4.2Å; M470-F493 HydrophobicContact CE-CE2 3.53Å; M470-F493 HydrophobicContact CE-CG 3.29Å; M470-F493 HydrophobicContact CE-CZ 4.06Å; M470-F493 HydrophobicContact CG-CD1 4.21Å; M470-F493 HydrophobicContact CG-CE1 4.08Å; M470-F493 HydrophobicContact CG-CZ 4.3Å; M470-F540 HydrophobicContact CE-CD1 4.37Å; M470-F540 HydrophobicContact CE-CD2 3.87Å; M470-F540 HydrophobicContact CE-CE1 4.39Å; M470-F540 HydrophobicContact CE-CE2 3.86Å; M470-F540 HydrophobicContact CE-CG 4.12Å; M470-F540 HydrophobicContact CE-CZ 4.13Å; M470-F540 HydrophobicContact SD-CD2 4.49Å
471	E	92.2	Very high	93.3	Very high	122 Å²	122	41 Å²	41	57%	0.57	21%	0.208	S	C	*	.	H	α-helix	trans	-61.3	-27.8	172.4	-77.7	173.9	173.9	0	0	113.4	E467 R468 I469	E467-E471 WeakPolarHBondContact O-CG 3.27Å; E467-E471 PolarHBondContact O-N 2.9Å; R468-E471 IonicContact NH1-OE2 2.88Å; R468-E471 PolarHBondContact NH1-OE2 3.34Å; I469-E471 VanDerWaalsContact C-N 3.32Å; I469-E471 PolarHBondContact O-N 3.23Å
472	R	93.6	Very high	93.2	Very high	76 Å²	76	45.7 Å²	45.7	29%	0.287	23%	0.23	S	C	.	.	H	α-helix	trans	-96.4	-7.9	-175.5	-66	177.6	-178.8	-78.1	-6.2	113.9	R468 I469 M470 L535 G537 F538	R468-R472 WeakPolarHBondContact O-CG 3.46Å; I469-R472 PolarHBondContact O-N 3.46Å; M470-R472 PolarHBondContact O-N 3.34Å; R472-L535 PolarHBondContact NH1-O 2.88Å; R472-G537 PolarHBondContact O-N 3Å; R472-F538 HydrophobicContact CB-CD2 4.14Å; R472-F538 PolarHBondContact O-N 3.11Å; R472-F538 VanDerWaalsContact O-N 3.16Å
473	C	95	Very high	93	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	144.1	-177.4	-63.7	0	0	0	0	112.4	I469 M470 C511 F538 F540	I469-C473 PolarHBondContact O-N 3.44Å; I469-C473 PolarHBondContact O-SG 3.39Å; M470-C473 PolarHBondContact O-N 2.86Å; C473-C511 VanDerWaalsContact SG-CB 3.5Å; C473-F538 CarbonylContact C-O 3.56Å; C473-F538 VanDerWaalsContact CA-O 3.23Å; C473-F538 WeakPolarHBondContact CA-O 3.48Å; C473-F540 HydrophobicContact CB-CB 3.88Å
474	T	94.6	Very high	92.9	Very high	83 Å²	83	53.4 Å²	53.4	51%	0.509	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-26.8	177.4	56.6	0	0	0	0	113.1	L485 G537 F538	T474-L485 WeakPolarHBondContact O-CB 3.45Å; T474-L485 PolarHBondContact O-N 2.97Å; T474-G537 PolarHBondContact OG1-O 3.1Å; T474-F538 PolarHBondContact N-O 3Å
475	T	95.8	Very high	92.8	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.16	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	164.2	174.9	57.1	0	0	0	0	110.2	E482 Q483 F538 R539 F540	T475-E482 VanDerWaalsContact CB-OE1 3.29Å; T475-E482 WeakPolarHBondContact CB-OE1 3.21Å; T475-E482 HydrophobicContact CG2-CG 4.09Å; T475-E482 WeakPolarHBondContact CG2-OE1 3.48Å; T475-E482 PolarHBondContact OG1-OE1 3.35Å; T475-Q483 CarbonylContact C-O 3.42Å; T475-Q483 WeakPolarHBondContact CA-O 3.48Å; T475-Q483 VanDerWaalsContact CB-O 3.31Å; T475-Q483 WeakPolarHBondContact CB-O 3.46Å; T475-F538 PolarHBondContact N-O 3.02Å; T475-R539 CarbonylContact O-C 3.37Å; T475-R539 WeakPolarHBondContact O-CA 3.37Å; T475-R539 WeakPolarHBondContact OG1-CA 3.43Å; T475-R539 WeakPolarHBondContact OG1-CB 3.46Å; T475-F540 PolarHBondContact O-N 3.28Å
476	I	95	Very high	92.8	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.8	175.5	-176.9	165.7	0	0	0	109.1	L478 E482 Q483 L485 F540	I476-L478 HydrophobicContact CD1-CD2 4.16Å; I476-L478 HydrophobicContact CG1-CD2 4.28Å; I476-L478 HydrophobicContact CG1-CG 4.29Å; I476-L478 HydrophobicContact CG2-CD1 4.25Å; I476-L478 HydrophobicContact CG2-CG 4.22Å; I476-E482 WeakPolarHBondContact O-CA 3.3Å; I476-Q483 HydrophobicContact CG2-CB 4.38Å; I476-Q483 PolarHBondContact N-O 3.32Å; I476-Q483 PolarHBondContact O-N 2.85Å; I476-L485 HydrophobicContact CB-CD1 4.01Å; I476-L485 HydrophobicContact CD1-CD1 4.46Å; I476-L485 HydrophobicContact CG2-CD1 4.29Å; I476-F540 CarbonylContact C-O 3.33Å; I476-F540 WeakPolarHBondContact CA-O 3.41Å; I476-F540 HydrophobicContact CB-CB 4.42Å; I476-F540 HydrophobicContact CD1-CD1 3.95Å; I476-F540 HydrophobicContact CG1-CB 4.41Å; I476-F540 HydrophobicContact CG1-CD1 4.09Å
477	L	94.4	Very high	92.7	Very high	11 Å²	11	64.1 Å²	64.1	6%	0.058	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.9	172.6	-168.8	68.8	0	0	0	109.7	T372 A375 G480 R539 F540 I541	T372-L477 HydrophobicContact CG2-CB 4.42Å; T372-L477 HydrophobicContact CG2-CD2 4.1Å; T372-L477 HydrophobicContact CG2-CG 4.28Å; A375-L477 HydrophobicContact CB-CD2 4.07Å; L477-G480 VanDerWaalsContact CD1-C 3.49Å; L477-R539 HydrophobicContact CB-CG 4.31Å; L477-F540 PolarHBondContact N-O 3.14Å; L477-I541 HydrophobicContact CB-CD1 3.6Å; L477-I541 HydrophobicContact CD2-CD1 3.74Å; L477-I541 HydrophobicContact CG-CD1 4.3Å
478	L	92.1	Very high	92.8	Very high	15 Å²	15	64.2 Å²	64.2	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.8	175.9	-66.3	176.1	0	0	0	109.9	D349 I476 G480 K481	D349-L478 WeakPolarHBondContact OD1-CA 3.41Å; I476-L478 HydrophobicContact CD1-CD2 4.16Å; I476-L478 HydrophobicContact CG1-CD2 4.28Å; I476-L478 HydrophobicContact CG1-CG 4.29Å; I476-L478 HydrophobicContact CG2-CD1 4.25Å; I476-L478 HydrophobicContact CG2-CG 4.22Å; L478-G480 PolarHBondContact O-N 3.07Å; L478-K481 PolarHBondContact N-O 3.08Å; L478-K481 PolarHBondContact O-N 3.29Å
479	N	89	Confident	92.7	Very high	119 Å²	119	60.6 Å²	60.6	64%	0.636	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	41.3	-176.4	-63.1	-64	0	0	0	112.4	D349 T372 K481	D349-N479 PolarHBondContact OD1-N 3.43Å; T372-N479 PolarHBondContact OG1-N 3.36Å; N479-K481 VanDerWaalsContact C-N 3.27Å; N479-K481 PolarHBondContact O-N 2.86Å
480	G	87.5	Confident	92.5	Very high	36 Å²	36	65.1 Å²	65.1	37%	0.371	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	1.8	-176.5	0	0	0	0	0	116	T372 L477 L478	T372-G480 PolarHBondContact OG1-N 2.8Å; L477-G480 VanDerWaalsContact CD1-C 3.49Å; L478-G480 PolarHBondContact O-N 3.07Å
481	K	92	Very high	92.5	Very high	155 Å²	155	68.9 Å²	68.9	67%	0.674	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.5	175.6	-65.9	-177.5	-179.9	178	0	111	L478 N479	L478-K481 PolarHBondContact N-O 3.08Å; L478-K481 PolarHBondContact O-N 3.29Å; N479-K481 VanDerWaalsContact C-N 3.27Å; N479-K481 PolarHBondContact O-N 2.86Å
482	E	92.5	Very high	92.5	Very high	103 Å²	103	64.3 Å²	64.3	48%	0.481	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127.9	176.5	-172.6	166.8	171.5	0	0	110.7	T475 I476 R539	T475-E482 VanDerWaalsContact CB-OE1 3.29Å; T475-E482 WeakPolarHBondContact CB-OE1 3.21Å; T475-E482 HydrophobicContact CG2-CG 4.09Å; T475-E482 WeakPolarHBondContact CG2-OE1 3.48Å; T475-E482 PolarHBondContact OG1-OE1 3.35Å; I476-E482 WeakPolarHBondContact O-CA 3.3Å; E482-R539 VanDerWaalsContact CD-CD 3.48Å; E482-R539 HydrophobicContact CG-CG 4.3Å; E482-R539 WeakPolarHBondContact OE2-CD 3.41Å; E482-R539 IonicContact OE2-CZ 3.71Å; E482-R539 IonicContact OE2-NH1 2.95Å; E482-R539 PolarHBondContact OE2-NH1 3.39Å
483	Q	92.9	Very high	92.5	Very high	80 Å²	80	60.9 Å²	60.9	37%	0.374	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150	178.8	-62.2	-173.2	20.8	0	0	110.3	T475 I476	T475-Q483 CarbonylContact C-O 3.42Å; T475-Q483 WeakPolarHBondContact CA-O 3.48Å; T475-Q483 VanDerWaalsContact CB-O 3.31Å; T475-Q483 WeakPolarHBondContact CB-O 3.46Å; I476-Q483 HydrophobicContact CG2-CB 4.38Å; I476-Q483 PolarHBondContact N-O 3.32Å; I476-Q483 PolarHBondContact O-N 2.85Å
484	P	93.8	Very high	92.3	Very high	94 Å²	94	64.4 Å²	64.4	61%	0.61	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	142.7	172.1	26.4	-33.3	0	0	0	111	T486 H489	P484-T486 PolarHBondContact O-N 3.35Å; P484-T486 VanDerWaalsContact O-N 3.16Å; P484-H489 PolarHBondContact O-ND1 3.06Å
485	L	91.9	Very high	92.2	Very high	25 Å²	25	67 Å²	67	13%	0.131	36%	0.355	C	S	.	.			trans	-73.2	106.6	-179.8	-168.8	79.3	0	0	0	110.2	M470 T474 I476 H489 R490	M470-L485 HydrophobicContact CE-CD1 4.49Å; M470-L485 HydrophobicContact SD-CD1 4.02Å; M470-L485 HydrophobicContact SD-CD2 3.48Å; M470-L485 WeakPolarHBondContact SD-CD2 3.47Å; M470-L485 HydrophobicContact SD-CG 4.36Å; T474-L485 WeakPolarHBondContact O-CB 3.45Å; T474-L485 PolarHBondContact O-N 2.97Å; I476-L485 HydrophobicContact CB-CD1 4.01Å; I476-L485 HydrophobicContact CD1-CD1 4.46Å; I476-L485 HydrophobicContact CG2-CD1 4.29Å; L485-H489 HydrophobicContact CD1-CB 3.98Å; L485-R490 HydrophobicContact CD2-CG 4.1Å; L485-R490 HydrophobicContact CG-CG 4.31Å
486	T	92.6	Very high	92	Very high	64 Å²	64	66 Å²	66	39%	0.393	35%	0.349	S	S	.	.			trans	-88.6	167.3	179.1	69.2	0	0	0	0	111.7	P484 A488 H489 R490	P484-T486 PolarHBondContact O-N 3.35Å; P484-T486 VanDerWaalsContact O-N 3.16Å; T486-A488 VanDerWaalsContact C-N 3.29Å; T486-A488 PolarHBondContact O-N 3.33Å; T486-H489 PolarHBondContact N-ND1 2.94Å; T486-H489 WeakPolarHBondContact O-CB 3.44Å; T486-H489 PolarHBondContact O-N 3.02Å; T486-H489 VanDerWaalsContact OG1-CG 3.31Å; T486-H489 PolarHBondContact OG1-N 2.8Å; T486-H489 PolarHBondContact OG1-ND1 3.04Å; T486-R490 PolarHBondContact O-N 2.96Å
487	K	91.3	Very high	91.9	Very high	161 Å²	161	69.8 Å²	69.8	70%	0.7	36%	0.363	S	S	*	.	H	α-helix	trans	-58.6	-40.7	173.2	-172.6	179.1	176.1	-176.5	0	112	H489 R490 D491	K487-H489 VanDerWaalsContact C-N 3.27Å; K487-H489 PolarHBondContact O-N 2.97Å; K487-R490 WeakPolarHBondContact O-CB 3.49Å; K487-R490 PolarHBondContact O-N 3.05Å; K487-D491 PolarHBondContact O-N 3.46Å
488	A	92.1	Very high	91.5	Very high	65 Å²	65	74.8 Å²	74.8	54%	0.537	39%	0.389	S	S	.	.	H	α-helix	trans	-60.3	-35.6	176.8	0	0	0	0	0	112.7	T486 A492	T486-A488 VanDerWaalsContact C-N 3.29Å; T486-A488 PolarHBondContact O-N 3.33Å; A488-A492 WeakPolarHBondContact O-CB 3.38Å; A488-A492 PolarHBondContact O-N 2.88Å; A488-A492 VanDerWaalsContact O-N 3.07Å
489	H	91.4	Very high	91.4	Very high	23 Å²	23	79 Å²	79	11%	0.106	41%	0.409	C	S	.	.	H	α-helix	trans	-67.7	-37.1	174.3	-58.6	158.6	0	0	0	112.1	P484 L485 T486 K487 F493	P484-H489 PolarHBondContact O-ND1 3.06Å; L485-H489 HydrophobicContact CD1-CB 3.98Å; T486-H489 PolarHBondContact N-ND1 2.94Å; T486-H489 WeakPolarHBondContact O-CB 3.44Å; T486-H489 PolarHBondContact O-N 3.02Å; T486-H489 VanDerWaalsContact OG1-CG 3.31Å; T486-H489 PolarHBondContact OG1-N 2.8Å; T486-H489 PolarHBondContact OG1-ND1 3.04Å; K487-H489 VanDerWaalsContact C-N 3.27Å; K487-H489 PolarHBondContact O-N 2.97Å; H489-F493 WeakPolarHBondContact O-CB 3.46Å; H489-F493 PolarHBondContact O-N 3.47Å
490	R	91.1	Very high	91.4	Very high	95 Å²	95	73.4 Å²	73.4	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-67.2	-44	175.3	-68	-177	-179.7	-92.5	-1	111.5	L485 T486 K487 A492 F493 D494	L485-R490 HydrophobicContact CD2-CG 4.1Å; L485-R490 HydrophobicContact CG-CG 4.31Å; T486-R490 PolarHBondContact O-N 2.96Å; K487-R490 WeakPolarHBondContact O-CB 3.49Å; K487-R490 PolarHBondContact O-N 3.05Å; R490-A492 VanDerWaalsContact C-N 3.33Å; R490-A492 PolarHBondContact O-N 3.03Å; R490-F493 WeakPolarHBondContact O-CB 3.46Å; R490-F493 PolarHBondContact O-N 3.38Å; R490-D494 PolarHBondContact O-N 3.48Å
491	D	92.1	Very high	91.2	Very high	85 Å²	85	73.2 Å²	73.2	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-41.6	177.9	-60.9	-21.6	0	0	0	111.2	K487 D494 Q495	K487-D491 PolarHBondContact O-N 3.46Å; D491-D494 PolarHBondContact O-N 2.82Å; D491-Q495 PolarHBondContact O-N 2.81Å
492	A	92.6	Very high	90.7	Very high	27 Å²	27	70.2 Å²	70.2	22%	0.223	37%	0.374	C	S	.	.	H	α-helix	trans	-65.5	-38	175.2	0	0	0	0	0	112.8	W347 A488 R490 A496	W347-A492 HydrophobicContact CZ2-CB 4.33Å; A488-A492 WeakPolarHBondContact O-CB 3.38Å; A488-A492 PolarHBondContact O-N 2.88Å; A488-A492 VanDerWaalsContact O-N 3.07Å; R490-A492 VanDerWaalsContact C-N 3.33Å; R490-A492 PolarHBondContact O-N 3.03Å; A492-A496 PolarHBondContact O-N 2.86Å; A492-A496 VanDerWaalsContact O-N 3.09Å
493	F	93.1	Very high	90.4	Very high	3 Å²	3	68.6 Å²	68.6	1%	0.013	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-46.1	173.6	164.7	-88.3	0	0	0	111.9	W347 P466 M470 H489 R490 Q495 A496 Y497 F540 L543	W347-F493 HydrophobicContact CH2-CB 4.02Å; W347-F493 HydrophobicContact CZ3-CB 4.24Å; W347-F493 HydrophobicContact CZ3-CD2 4.12Å; P466-F493 HydrophobicContact CB-CE2 4.29Å; P466-F493 HydrophobicContact CB-CZ 3.7Å; P466-F493 WeakPolarHBondContact O-CZ 3.33Å; M470-F493 HydrophobicContact CB-CE1 3.99Å; M470-F493 HydrophobicContact CB-CE2 4.34Å; M470-F493 HydrophobicContact CB-CZ 3.84Å; M470-F493 HydrophobicContact CE-CB 3.73Å; M470-F493 HydrophobicContact CE-CD1 3.82Å; M470-F493 HydrophobicContact CE-CD2 3.15Å; M470-F493 HydrophobicContact CE-CE1 4.2Å; M470-F493 HydrophobicContact CE-CE2 3.53Å; M470-F493 HydrophobicContact CE-CG 3.29Å; M470-F493 HydrophobicContact CE-CZ 4.06Å; M470-F493 HydrophobicContact CG-CD1 4.21Å; M470-F493 HydrophobicContact CG-CE1 4.08Å; M470-F493 HydrophobicContact CG-CZ 4.3Å; H489-F493 WeakPolarHBondContact O-CB 3.46Å; H489-F493 PolarHBondContact O-N 3.47Å; R490-F493 WeakPolarHBondContact O-CB 3.46Å; R490-F493 PolarHBondContact O-N 3.38Å; F493-Q495 VanDerWaalsContact C-N 3.28Å; F493-Q495 PolarHBondContact O-N 3.28Å; F493-A496 PolarHBondContact O-N 3.35Å; F493-Y497 VanDerWaalsContact O-CB 3.31Å; F493-Y497 WeakPolarHBondContact O-CB 3.17Å; F493-Y497 PolarHBondContact O-N 3.09Å; F493-F540 HydrophobicContact CD2-CE1 4.47Å; F493-F540 HydrophobicContact CD2-CE2 4.26Å; F493-F540 AromaticContact CD2-CZ 3.83Å; F493-F540 HydrophobicContact CD2-CZ 3.83Å; F493-F540 AromaticContact CE2-CE2 3.88Å; F493-F540 HydrophobicContact CE2-CE2 3.88Å; F493-F540 AromaticContact CE2-CZ 3.79Å; F493-F540 HydrophobicContact CE2-CZ 3.79Å; F493-L543 HydrophobicContact CD2-CD1 3.91Å; F493-L543 HydrophobicContact CD2-CD2 4.26Å; F493-L543 HydrophobicContact CD2-CG 4.22Å; F493-L543 HydrophobicContact CE2-CD1 3.88Å; F493-L543 HydrophobicContact CE2-CD2 3.53Å; F493-L543 HydrophobicContact CE2-CG 3.98Å; F493-L543 HydrophobicContact CZ-CD2 4.34Å
494	D	91.7	Very high	89.9	Confident	79 Å²	79	65.4 Å²	65.4	42%	0.422	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-38.3	-179.5	-72.5	-25.8	0	0	0	110.7	R490 D491 Y497 L498	R490-D494 PolarHBondContact O-N 3.48Å; D491-D494 PolarHBondContact O-N 2.82Å; D494-Y497 PolarHBondContact O-N 3.13Å; D494-L498 WeakPolarHBondContact O-CB 3.39Å; D494-L498 VanDerWaalsContact O-CG 3.29Å; D494-L498 WeakPolarHBondContact O-CG 3.25Å; D494-L498 PolarHBondContact O-N 3.45Å
495	Q	91.8	Very high	89.7	Confident	138 Å²	138	61.7 Å²	61.7	65%	0.645	33%	0.332	S	S	*	.	H	α-helix	trans	-62.6	-48.9	173.9	-173.8	175.3	3	0	0	112.2	D491 F493 Y497 L498 E499	D491-Q495 PolarHBondContact O-N 2.81Å; F493-Q495 VanDerWaalsContact C-N 3.28Å; F493-Q495 PolarHBondContact O-N 3.28Å; Q495-Y497 VanDerWaalsContact C-N 3.33Å; Q495-Y497 PolarHBondContact O-N 2.81Å; Q495-L498 PolarHBondContact O-N 2.76Å; Q495-E499 WeakPolarHBondContact O-CB 3.31Å; Q495-E499 PolarHBondContact O-N 3.28Å
496	A	92	Very high	89.5	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-38.5	178	0	0	0	0	0	112.1	W347 A492 F493 E499 F500	W347-A496 HydrophobicContact CD2-CB 4.14Å; W347-A496 HydrophobicContact CG-CB 3.94Å; A492-A496 PolarHBondContact O-N 2.86Å; A492-A496 VanDerWaalsContact O-N 3.09Å; F493-A496 PolarHBondContact O-N 3.35Å; A496-E499 PolarHBondContact O-N 3.17Å; A496-F500 HydrophobicContact CB-CE2 4.46Å; A496-F500 VanDerWaalsContact O-CD2 3.26Å; A496-F500 WeakPolarHBondContact O-CD2 3.3Å; A496-F500 VanDerWaalsContact O-CG 3.31Å; A496-F500 WeakPolarHBondContact O-CG 3.35Å; A496-F500 PolarHBondContact O-N 2.97Å
497	Y	91.5	Very high	89.6	Confident	84 Å²	84	63.7 Å²	63.7	33%	0.329	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-44	176.2	175.4	-128.1	0	0	0	112	P466 F493 D494 Q495 G501 V507	P466-Y497 HydrophobicContact CB-CD2 4.01Å; P466-Y497 HydrophobicContact CB-CE2 4.07Å; P466-Y497 HydrophobicContact CG-CD2 3.95Å; P466-Y497 HydrophobicContact CG-CE2 3.77Å; F493-Y497 VanDerWaalsContact O-CB 3.31Å; F493-Y497 WeakPolarHBondContact O-CB 3.17Å; F493-Y497 PolarHBondContact O-N 3.09Å; D494-Y497 PolarHBondContact O-N 3.13Å; Q495-Y497 VanDerWaalsContact C-N 3.33Å; Q495-Y497 PolarHBondContact O-N 2.81Å; Y497-G501 PolarHBondContact O-N 2.84Å; Y497-V507 HydrophobicContact CD2-CB 4.09Å; Y497-V507 HydrophobicContact CD2-CG1 4.19Å; Y497-V507 HydrophobicContact CD2-CG2 4.18Å; Y497-V507 HydrophobicContact CE2-CB 4.18Å; Y497-V507 HydrophobicContact CE2-CG2 4.39Å
498	L	87.6	Confident	89.8	Confident	116 Å²	116	56.8 Å²	56.8	61%	0.607	30%	0.303	S	S	*	.	H	α-helix	trans	-65.2	-42.2	175	-74.6	170.1	0	0	0	112	D494 Q495 G501 C502	D494-L498 WeakPolarHBondContact O-CB 3.39Å; D494-L498 VanDerWaalsContact O-CG 3.29Å; D494-L498 WeakPolarHBondContact O-CG 3.25Å; D494-L498 PolarHBondContact O-N 3.45Å; Q495-L498 PolarHBondContact O-N 2.76Å; L498-G501 PolarHBondContact O-N 2.85Å; L498-C502 PolarHBondContact O-N 3.35Å; L498-C502 PolarHBondContact O-SG 2.97Å; L498-C502 VanDerWaalsContact O-SG 3.38Å
499	E	88.4	Confident	89.9	Confident	103 Å²	103	53.7 Å²	53.7	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-58.5	-50.5	178.4	-174.5	177.4	-178.8	0	0	111.6	Q495 A496 G501 C502 L503	Q495-E499 WeakPolarHBondContact O-CB 3.31Å; Q495-E499 PolarHBondContact O-N 3.28Å; A496-E499 PolarHBondContact O-N 3.17Å; E499-G501 VanDerWaalsContact C-N 3.3Å; E499-G501 PolarHBondContact O-N 3.33Å; E499-C502 PolarHBondContact O-N 2.69Å; E499-L503 WeakPolarHBondContact O-CG 3.45Å; E499-L503 PolarHBondContact O-N 3.23Å; E499-L503 VanDerWaalsContact O-N 3.14Å
500	F	90.1	Very high	90.2	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-35.1	176	-59.5	-29.3	0	0	0	112.6	H345 W347 T352 A496 L503 G504 E505 V507 L543	H345-F500 HydrophobicContact CB-CD1 4.01Å; H345-F500 HydrophobicContact CB-CE1 3.45Å; H345-F500 VanDerWaalsContact CB-CE1 3.45Å; H345-F500 HydrophobicContact CB-CZ 3.79Å; H345-F500 AromaticContact CG-CE1 3.79Å; W347-F500 HydrophobicContact CB-CE2 3.78Å; W347-F500 HydrophobicContact CB-CZ 3.92Å; T352-F500 HydrophobicContact CG2-CE1 3.66Å; T352-F500 HydrophobicContact CG2-CZ 3.78Å; A496-F500 HydrophobicContact CB-CE2 4.46Å; A496-F500 VanDerWaalsContact O-CD2 3.26Å; A496-F500 WeakPolarHBondContact O-CD2 3.3Å; A496-F500 VanDerWaalsContact O-CG 3.31Å; A496-F500 WeakPolarHBondContact O-CG 3.35Å; A496-F500 PolarHBondContact O-N 2.97Å; F500-L503 PolarHBondContact O-N 2.75Å; F500-G504 PolarHBondContact O-N 3.5Å; F500-E505 PolarHBondContact O-N 3.33Å; F500-E505 VanDerWaalsContact O-N 3.15Å; F500-V507 HydrophobicContact CB-CG2 3.46Å; F500-V507 VanDerWaalsContact CB-CG2 3.46Å; F500-V507 HydrophobicContact CD2-CG1 4.17Å; F500-V507 HydrophobicContact CD2-CG2 4.18Å; F500-V507 HydrophobicContact CG-CG2 4.31Å; F500-L543 HydrophobicContact CE2-CB 4.4Å; F500-L543 HydrophobicContact CE2-CD1 4.4Å
501	G	83.6	Confident	90.5	Very high	32 Å²	32	48.1 Å²	48.1	33%	0.33	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-41.8	173.4	0	0	0	0	0	112.7	Y497 L498 E499 L503 G504 I577	Y497-G501 PolarHBondContact O-N 2.84Å; L498-G501 PolarHBondContact O-N 2.85Å; E499-G501 VanDerWaalsContact C-N 3.3Å; E499-G501 PolarHBondContact O-N 3.33Å; G501-L503 VanDerWaalsContact C-N 3.28Å; G501-L503 PolarHBondContact O-N 3.16Å; G501-G504 PolarHBondContact O-N 2.91Å; G501-I577 WeakPolarHBondContact O-CG2 3.44Å
502	C	81.6	Confident	90.7	Very high	92 Å²	92	44.2 Å²	44.2	62%	0.622	23%	0.234	S	C	*	.	H	α-helix	trans	-67.1	-27.6	175.9	-72.3	0	0	0	0	113	L498 E499 G504	L498-C502 PolarHBondContact O-N 3.35Å; L498-C502 PolarHBondContact O-SG 2.97Å; L498-C502 VanDerWaalsContact O-SG 3.38Å; E499-C502 PolarHBondContact O-N 2.69Å; C502-G504 PolarHBondContact O-N 3.4Å
503	L	85.2	Confident	90.8	Very high	69 Å²	69	46.2 Å²	46.2	36%	0.361	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	1.4	170.6	-64.6	174.1	0	0	0	112.9	E499 F500 G501 E505 A581	E499-L503 WeakPolarHBondContact O-CG 3.45Å; E499-L503 PolarHBondContact O-N 3.23Å; E499-L503 VanDerWaalsContact O-N 3.14Å; F500-L503 PolarHBondContact O-N 2.75Å; G501-L503 VanDerWaalsContact C-N 3.28Å; G501-L503 PolarHBondContact O-N 3.16Å; L503-E505 HydrophobicContact CB-CG 3.72Å; L503-E505 PolarHBondContact O-N 2.97Å; L503-A581 WeakPolarHBondContact O-CB 3.41Å
504	G	81.8	Confident	90.7	Very high	14 Å²	14	49.3 Å²	49.3	14%	0.144	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	21.2	178.8	0	0	0	0	0	113.3	F500 G501 C502 T578	F500-G504 PolarHBondContact O-N 3.5Å; G501-G504 PolarHBondContact O-N 2.91Å; C502-G504 PolarHBondContact O-N 3.4Å; G504-T578 PolarHBondContact O-OG1 3.41Å
505	E	89.8	Confident	90.7	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.075	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-93.8	143.9	-176.3	-48.9	-175.3	148.5	0	0	110.6	S344 H345 F500 L503 S545 M547	S344-E505 WeakPolarHBondContact CB-OE1 3.47Å; S344-E505 PolarHBondContact OG-OE1 3.13Å; H345-E505 IonicContact CE1-OE1 2.65Å; H345-E505 PolarHBondContact CE1-OE1 2.9Å; H345-E505 IonicContact CE1-OE2 3.94Å; H345-E505 IonicContact CG-OE2 3.07Å; H345-E505 VanDerWaalsContact ND1-CD 3.29Å; H345-E505 IonicContact ND1-OE1 3.2Å; H345-E505 PolarHBondContact ND1-OE1 2.83Å; H345-E505 IonicContact ND1-OE2 3.75Å; H345-E505 PolarHBondContact ND1-OE2 2.92Å; F500-E505 PolarHBondContact O-N 3.33Å; F500-E505 VanDerWaalsContact O-N 3.15Å; L503-E505 HydrophobicContact CB-CG 3.72Å; L503-E505 PolarHBondContact O-N 2.97Å; E505-S545 WeakPolarHBondContact OE2-CB 3.45Å; E505-S545 PolarHBondContact OE2-OG 3.5Å; E505-M547 HydrophobicContact CG-CB 4.12Å; E505-M547 HydrophobicContact CG-SD 4.42Å
506	R	88.8	Confident	90.6	Very high	118 Å²	118	41.6 Å²	41.6	45%	0.445	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.1	173.6	-177.7	177.3	179.8	172.9	-4.8	109.2	S407 S545 M546	S407-R506 VanDerWaalsContact OG-CZ 3.26Å; S407-R506 PolarHBondContact OG-NH1 3.36Å; R506-S545 CarbonylContact O-C 3.53Å; R506-S545 VanDerWaalsContact O-CA 3.29Å; R506-S545 WeakPolarHBondContact O-CA 3.41Å; R506-M546 HydrophobicContact CB-CG 3.96Å; R506-M546 HydrophobicContact CG-CG 4.49Å; R506-M546 PolarHBondContact N-O 3.38Å; R506-M546 WeakPolarHBondContact O-CG 3.38Å; R506-M546 PolarHBondContact O-N 2.85Å
507	V	93.4	Very high	90.4	Very high	13 Å²	13	43.9 Å²	43.9	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.6	-176	-167.5	0	0	0	0	111.2	P466 Y497 F500 L543	P466-V507 VanDerWaalsContact CD-O 3.32Å; P466-V507 WeakPolarHBondContact CD-O 3.49Å; P466-V507 HydrophobicContact CG-CB 3.85Å; P466-V507 HydrophobicContact CG-CG1 3.72Å; P466-V507 WeakPolarHBondContact CG-O 3.44Å; Y497-V507 HydrophobicContact CD2-CB 4.09Å; Y497-V507 HydrophobicContact CD2-CG1 4.19Å; Y497-V507 HydrophobicContact CD2-CG2 4.18Å; Y497-V507 HydrophobicContact CE2-CB 4.18Å; Y497-V507 HydrophobicContact CE2-CG2 4.39Å; F500-V507 HydrophobicContact CB-CG2 3.46Å; F500-V507 VanDerWaalsContact CB-CG2 3.46Å; F500-V507 HydrophobicContact CD2-CG1 4.17Å; F500-V507 HydrophobicContact CD2-CG2 4.18Å; F500-V507 HydrophobicContact CG-CG2 4.31Å; V507-L543 HydrophobicContact CG1-CB 4.04Å; V507-L543 HydrophobicContact CG1-CD1 4.12Å; V507-L543 HydrophobicContact CG1-CD2 4.06Å; V507-L543 HydrophobicContact CG1-CG 4.31Å
508	L	95.2	Very high	90.2	Very high	16 Å²	16	47.5 Å²	47.5	8%	0.084	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.5	171.8	-65.4	178.1	0	0	0	110.5	L411 G464 F510 L543 M544 M546	L411-L508 HydrophobicContact CD1-CD1 3.99Å; G464-L508 WeakPolarHBondContact O-CA 3.42Å; L508-F510 HydrophobicContact CB-CE2 3.85Å; L508-F510 HydrophobicContact CB-CZ 3.98Å; L508-F510 WeakPolarHBondContact O-CD2 3.43Å; L508-F510 VanDerWaalsContact O-CE2 3.32Å; L508-F510 WeakPolarHBondContact O-CE2 3.26Å; L508-L543 WeakPolarHBondContact O-CA 3.47Å; L508-M544 PolarHBondContact N-O 3.45Å; L508-M544 PolarHBondContact O-N 3.22Å; L508-M546 HydrophobicContact CD1-CE 3.59Å; L508-M546 HydrophobicContact CG-CE 4.22Å
509	G	96.1	Very high	90.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	147.6	172.1	0	0	0	0	0	112.4	K463 G464	K463-G509 VanDerWaalsContact CA-O 3.26Å; K463-G509 WeakPolarHBondContact CA-O 3.45Å; G464-G509 PolarHBondContact N-O 3.03Å; G464-G509 VanDerWaalsContact N-O 3.15Å; G464-G509 PolarHBondContact O-N 2.85Å
510	F	97.3	Very high	90.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.6	-177.7	-61.2	-91.9	0	0	0	111	L376 I379 A380 L411 K463 L508 I541 G542 M544	L376-F510 HydrophobicContact CD1-CB 3.61Å; L376-F510 HydrophobicContact CD1-CD2 3.83Å; L376-F510 HydrophobicContact CD1-CG 3.79Å; I379-F510 HydrophobicContact CB-CB 4.45Å; I379-F510 HydrophobicContact CB-CD1 4.25Å; I379-F510 HydrophobicContact CD1-CB 4.22Å; I379-F510 HydrophobicContact CG2-CB 4.09Å; I379-F510 HydrophobicContact CG2-CD1 3.71Å; I379-F510 HydrophobicContact CG2-CG 4.39Å; A380-F510 HydrophobicContact CB-CE1 4.11Å; L411-F510 HydrophobicContact CD1-CE1 4.09Å; L411-F510 HydrophobicContact CD1-CZ 3.86Å; L411-F510 HydrophobicContact CD2-CE1 4.47Å; L411-F510 HydrophobicContact CD2-CZ 3.75Å; L411-F510 HydrophobicContact CG-CZ 4.49Å; K463-F510 HydrophobicContact CB-CD1 3.81Å; K463-F510 HydrophobicContact CB-CE1 3.83Å; K463-F510 HydrophobicContact CD-CE1 4.27Å; L508-F510 HydrophobicContact CB-CE2 3.85Å; L508-F510 HydrophobicContact CB-CZ 3.98Å; L508-F510 WeakPolarHBondContact O-CD2 3.43Å; L508-F510 VanDerWaalsContact O-CE2 3.32Å; L508-F510 WeakPolarHBondContact O-CE2 3.26Å; F510-I541 PolarHBondContact O-N 3.25Å; F510-G542 PolarHBondContact N-O 2.84Å; F510-G542 PolarHBondContact O-N 3.42Å; F510-M544 HydrophobicContact CD2-CG 4.26Å; F510-M544 HydrophobicContact CE2-CB 3.69Å; F510-M544 HydrophobicContact CE2-CE 4.49Å; F510-M544 HydrophobicContact CE2-CG 3.66Å; F510-M544 HydrophobicContact CE2-SD 4.21Å; F510-M544 HydrophobicContact CZ-CB 4.3Å; F510-M544 HydrophobicContact CZ-CG 4.25Å; F510-M544 HydrophobicContact CZ-SD 4.22Å
511	C	96.8	Very high	89.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	157.1	175.8	66.3	0	0	0	0	112.3	M462 I469 C473 F538 R539	M462-C511 PolarHBondContact N-O 3.47Å; M462-C511 PolarHBondContact O-N 3.05Å; I469-C511 HydrophobicContact CG2-CB 3.98Å; C473-C511 VanDerWaalsContact SG-CB 3.5Å; C511-F538 HydrophobicContact CB-CB 3.9Å; C511-R539 VanDerWaalsContact CA-O 3.25Å; C511-R539 WeakPolarHBondContact CA-O 3.38Å; C511-R539 WeakPolarHBondContact CB-O 3.42Å
512	D	95.8	Very high	89.7	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	161.6	175.7	71.1	-2.2	0	0	0	112.4	I379 T459 I460 Y461 R539	I379-D512 HydrophobicContact CD1-CB 4.03Å; I379-D512 HydrophobicContact CG1-CB 4.46Å; T459-D512 HydrophobicContact CG2-CB 4.28Å; I460-D512 CarbonylContact O-C 3.49Å; I460-D512 VanDerWaalsContact O-CA 3.25Å; I460-D512 WeakPolarHBondContact O-CA 3.47Å; Y461-D512 HydrophobicContact CD1-CB 3.77Å; Y461-D512 HydrophobicContact CE1-CB 3.98Å; D512-R539 PolarHBondContact N-O 2.93Å; D512-R539 PolarHBondContact O-N 2.81Å; D512-R539 IonicContact OD1-CZ 3.82Å; D512-R539 IonicContact OD1-NE 3.94Å; D512-R539 PolarHBondContact OD1-NE 3.27Å; D512-R539 IonicContact OD1-NH2 2.84Å; D512-R539 PolarHBondContact OD1-NH2 3.13Å; D512-R539 VanDerWaalsContact OD1-NH2 3.11Å; D512-R539 IonicContact OD2-CZ 3.87Å; D512-R539 IonicContact OD2-NE 3.11Å; D512-R539 IonicContact OD2-NH2 3.38Å; D512-R539 PolarHBondContact OD2-NH2 2.94Å
513	Y	94.6	Very high	89.7	Confident	68 Å²	68	52.4 Å²	52.4	27%	0.267	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	117.1	172.9	-174.8	-106.2	0	0	0	110.4	I460 L515 P534 G537 F538	I460-Y513 HydrophobicContact CD1-CD1 4.44Å; I460-Y513 PolarHBondContact N-O 2.81Å; I460-Y513 PolarHBondContact O-N 3.49Å; Y513-L515 HydrophobicContact CD1-CD2 4Å; Y513-L515 HydrophobicContact CD1-CG 4.46Å; Y513-L515 HydrophobicContact CE1-CD2 3.92Å; Y513-P534 HydrophobicContact CD1-CG 4.07Å; Y513-P534 HydrophobicContact CE1-CG 3.66Å; Y513-G537 VanDerWaalsContact CD2-O 3.31Å; Y513-G537 WeakPolarHBondContact CD2-O 3.24Å; Y513-G537 WeakPolarHBondContact CE2-O 3.39Å; Y513-F538 HydrophobicContact CG-CD1 4.42Å
514	T	92.2	Very high	89.7	Confident	68 Å²	68	52.1 Å²	52.1	42%	0.417	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.5	175.3	-54.8	0	0	0	0	109.4	T457	T457-T514 HydrophobicContact CG2-CG2 4.49Å
515	L	91.7	Very high	90	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-73.5	138.2	-177.3	-71.1	164.3	0	0	0	111.3	V447 C458 I460 Y513 V517 Y520 F526 P534	V447-L515 HydrophobicContact CG1-CD1 4.34Å; C458-L515 HydrophobicContact CB-CD1 4.01Å; C458-L515 WeakPolarHBondContact O-CB 3.38Å; C458-L515 PolarHBondContact O-N 3.1Å; I460-L515 HydrophobicContact CD1-CD1 3.99Å; I460-L515 HydrophobicContact CD1-CD2 3.78Å; I460-L515 HydrophobicContact CD1-CG 3.99Å; I460-L515 HydrophobicContact CG1-CD1 3.8Å; I460-L515 HydrophobicContact CG1-CD2 4.31Å; I460-L515 HydrophobicContact CG1-CG 3.94Å; Y513-L515 HydrophobicContact CD1-CD2 4Å; Y513-L515 HydrophobicContact CD1-CG 4.46Å; Y513-L515 HydrophobicContact CE1-CD2 3.92Å; L515-V517 PolarHBondContact O-N 2.69Å; L515-Y520 HydrophobicContact CB-CD2 4.05Å; L515-Y520 HydrophobicContact CB-CG 4.28Å; L515-Y520 HydrophobicContact CD1-CG 4.32Å; L515-Y520 HydrophobicContact CD2-CD2 3.65Å; L515-Y520 HydrophobicContact CD2-CE2 3.86Å; L515-Y520 HydrophobicContact CD2-CG 4.08Å; L515-Y520 HydrophobicContact CG-CD2 4.33Å; L515-Y520 HydrophobicContact CG-CG 4.48Å; L515-F526 HydrophobicContact CD1-CE1 3.56Å; L515-F526 HydrophobicContact CD1-CZ 3.76Å; L515-P534 HydrophobicContact CD2-CG 3.73Å
516	P	90.2	Very high	89.9	Confident	52 Å²	52	56.5 Å²	56.5	34%	0.338	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-62.8	121.7	173.1	-20.9	31.7	0	0	0	111.1	D518 K519 Y520	P516-D518 PolarHBondContact O-N 3.09Å; P516-K519 PolarHBondContact O-N 3.17Å; P516-Y520 PolarHBondContact O-N 3.45Å
517	V	86.9	Confident	89.7	Confident	52 Å²	52	53.6 Å²	53.6	32%	0.315	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.6	-176.6	-179.6	0	0	0	0	112.1	P456 T457 L515 K519 Y520	P456-V517 HydrophobicContact CB-CG1 3.83Å; P456-V517 HydrophobicContact CB-CG2 4.48Å; P456-V517 HydrophobicContact CG-CG1 3.84Å; P456-V517 HydrophobicContact CG-CG2 4.05Å; T457-V517 HydrophobicContact CG2-CG2 3.96Å; L515-V517 PolarHBondContact O-N 2.69Å; V517-K519 VanDerWaalsContact C-N 3.27Å; V517-K519 PolarHBondContact O-N 2.98Å; V517-Y520 CarbonylContact O-C 3.6Å
518	D	87.8	Confident	89.1	Confident	161 Å²	161	54 Å²	54	86%	0.861	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.3	179.8	-55.5	-36.8	0	0	0	113.3	P516	P516-D518 PolarHBondContact O-N 3.09Å
519	K	88.1	Confident	88.4	Confident	152 Å²	152	59.1 Å²	59.1	66%	0.661	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-33.6	-178.4	-68.7	-173.7	179.9	-178.5	0	112.5	P516 V517	P516-K519 PolarHBondContact O-N 3.17Å; V517-K519 VanDerWaalsContact C-N 3.27Å; V517-K519 PolarHBondContact O-N 2.98Å
520	Y	88.7	Confident	87.8	Confident	42 Å²	42	65.4 Å²	65.4	17%	0.165	36%	0.356	C	S	.	.	S	Bend	trans	-129.8	74.5	-174.1	-57.5	-80.4	0	0	0	109.3	L515 P516 V517 Y524 F526 F533	L515-Y520 HydrophobicContact CB-CD2 4.05Å; L515-Y520 HydrophobicContact CB-CG 4.28Å; L515-Y520 HydrophobicContact CD1-CG 4.32Å; L515-Y520 HydrophobicContact CD2-CD2 3.65Å; L515-Y520 HydrophobicContact CD2-CE2 3.86Å; L515-Y520 HydrophobicContact CD2-CG 4.08Å; L515-Y520 HydrophobicContact CG-CD2 4.33Å; L515-Y520 HydrophobicContact CG-CG 4.48Å; P516-Y520 PolarHBondContact O-N 3.45Å; V517-Y520 CarbonylContact O-C 3.6Å; Y520-Y524 AromaticContact CD1-CD1 3.83Å; Y520-Y524 HydrophobicContact CD1-CD1 3.83Å; Y520-Y524 HydrophobicContact CD1-CD2 4.2Å; Y520-Y524 AromaticContact CD1-CE1 3.76Å; Y520-Y524 HydrophobicContact CD1-CE1 3.76Å; Y520-Y524 HydrophobicContact CD1-CE2 4.14Å; Y520-Y524 HydrophobicContact CD1-CG 4.06Å; Y520-Y524 AromaticContact CD1-CZ 3.93Å; Y520-Y524 HydrophobicContact CE1-CD1 4.48Å; Y520-Y524 AromaticContact CE1-CE1 3.95Å; Y520-Y524 HydrophobicContact CE1-CE1 3.95Å; Y520-Y524 HydrophobicContact CE1-CE2 4.37Å; Y520-Y524 AromaticContact CE1-CZ 3.89Å; Y520-F526 HydrophobicContact CD1-CE1 4.1Å; Y520-F533 HydrophobicContact CE1-CB 4.34Å
521	P	83.2	Confident	87.1	Confident	52 Å²	52	68.2 Å²	68.2	34%	0.338	37%	0.374	S	S	.	.			trans	-62.1	160.3	173	28	-35.4	0	0	0	110.1	S523 Y524	P521-S523 PolarHBondContact O-N 2.79Å; P521-Y524 WeakPolarHBondContact O-CB 3.44Å; P521-Y524 PolarHBondContact O-N 3.08Å
522	R	78.7	Confident	86.8	Confident	94 Å²	94	70.7 Å²	70.7	36%	0.355	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-24.9	180	-171.3	173.5	178.6	157.7	1.9	114.3	A449 A450 D452	A449-R522 HydrophobicContact CB-CG 4.48Å; A450-R522 VanDerWaalsContact O-CZ 3.3Å; A450-R522 PolarHBondContact O-NH1 3.44Å; A450-R522 PolarHBondContact O-NH2 2.61Å; D452-R522 PolarHBondContact O-NH1 3.25Å
523	S	81	Confident	86.5	Confident	107 Å²	107	71 Å²	71	75%	0.748	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	2.5	176.3	55	0	0	0	0	114.5	P521	P521-S523 PolarHBondContact O-N 2.79Å
524	Y	86.6	Confident	86.4	Confident	63 Å²	63	69.2 Å²	69.2	25%	0.247	39%	0.385	C	S	.	.			trans	-62.3	130.5	179.7	-173.3	-94.4	0	0	0	110.7	Y520 P521 F526 N532	Y520-Y524 AromaticContact CD1-CD1 3.83Å; Y520-Y524 HydrophobicContact CD1-CD1 3.83Å; Y520-Y524 HydrophobicContact CD1-CD2 4.2Å; Y520-Y524 AromaticContact CD1-CE1 3.76Å; Y520-Y524 HydrophobicContact CD1-CE1 3.76Å; Y520-Y524 HydrophobicContact CD1-CE2 4.14Å; Y520-Y524 HydrophobicContact CD1-CG 4.06Å; Y520-Y524 AromaticContact CD1-CZ 3.93Å; Y520-Y524 HydrophobicContact CE1-CD1 4.48Å; Y520-Y524 AromaticContact CE1-CE1 3.95Å; Y520-Y524 HydrophobicContact CE1-CE1 3.95Å; Y520-Y524 HydrophobicContact CE1-CE2 4.37Å; Y520-Y524 AromaticContact CE1-CZ 3.89Å; P521-Y524 WeakPolarHBondContact O-CB 3.44Å; P521-Y524 PolarHBondContact O-N 3.08Å; Y524-F526 VanDerWaalsContact C-N 3.33Å; Y524-F526 AromaticContact CD1-CD1 3.73Å; Y524-F526 HydrophobicContact CD1-CD1 3.73Å; Y524-F526 HydrophobicContact CD1-CD2 4.18Å; Y524-F526 AromaticContact CD1-CE1 3.72Å; Y524-F526 HydrophobicContact CD1-CE1 3.72Å; Y524-F526 HydrophobicContact CD1-CE2 4.18Å; Y524-F526 AromaticContact CD1-CG 3.97Å; Y524-F526 HydrophobicContact CD1-CG 3.97Å; Y524-F526 AromaticContact CD1-CZ 3.96Å; Y524-F526 HydrophobicContact CD1-CZ 3.96Å; Y524-F526 HydrophobicContact CE1-CD1 4.16Å; Y524-F526 HydrophobicContact CE1-CE1 4.31Å; Y524-F526 HydrophobicContact CG-CZ 4.46Å; Y524-F526 WeakPolarHBondContact O-CD2 3.27Å; Y524-F526 PolarHBondContact O-N 2.72Å; Y524-N532 PolarHBondContact OH-O 3.16Å
525	P	86.7	Confident	86.3	Confident	100 Å²	100	67.9 Å²	67.9	65%	0.649	38%	0.375	S	S	*	.			trans	-78.5	80	-177.3	32.3	-34.9	0	0	0	110.6	D527 N532	P525-D527 PolarHBondContact O-N 2.72Å; P525-N532 PolarHBondContact O-ND2 3.21Å
526	F	88.2	Confident	86.3	Confident	22 Å²	22	71.6 Å²	71.6	10%	0.096	40%	0.401	C	S	.	.			trans	-62.6	124.5	177.5	-65.4	-80.6	0	0	0	111.6	I432 C433 V447 C458 L515 Y520 Y524 F533	I432-F526 HydrophobicContact CD1-CE2 4.44Å; I432-F526 HydrophobicContact CG2-CD2 3.76Å; C433-F526 HydrophobicContact CB-CB 3.57Å; C433-F526 HydrophobicContact CB-CG 4.48Å; V447-F526 HydrophobicContact CG1-CD1 4.18Å; V447-F526 HydrophobicContact CG1-CD2 4.33Å; V447-F526 HydrophobicContact CG1-CE1 4.04Å; V447-F526 HydrophobicContact CG1-CE2 4.18Å; V447-F526 HydrophobicContact CG1-CG 4.32Å; V447-F526 HydrophobicContact CG1-CZ 4.03Å; V447-F526 HydrophobicContact CG2-CD1 4.4Å; C458-F526 HydrophobicContact CB-CZ 4.16Å; L515-F526 HydrophobicContact CD1-CE1 3.56Å; L515-F526 HydrophobicContact CD1-CZ 3.76Å; Y520-F526 HydrophobicContact CD1-CE1 4.1Å; Y524-F526 VanDerWaalsContact C-N 3.33Å; Y524-F526 AromaticContact CD1-CD1 3.73Å; Y524-F526 HydrophobicContact CD1-CD1 3.73Å; Y524-F526 HydrophobicContact CD1-CD2 4.18Å; Y524-F526 AromaticContact CD1-CE1 3.72Å; Y524-F526 HydrophobicContact CD1-CE1 3.72Å; Y524-F526 HydrophobicContact CD1-CE2 4.18Å; Y524-F526 AromaticContact CD1-CG 3.97Å; Y524-F526 HydrophobicContact CD1-CG 3.97Å; Y524-F526 AromaticContact CD1-CZ 3.96Å; Y524-F526 HydrophobicContact CD1-CZ 3.96Å; Y524-F526 HydrophobicContact CE1-CD1 4.16Å; Y524-F526 HydrophobicContact CE1-CE1 4.31Å; Y524-F526 HydrophobicContact CG-CZ 4.46Å; Y524-F526 WeakPolarHBondContact O-CD2 3.27Å; Y524-F526 PolarHBondContact O-N 2.72Å; F526-F533 HydrophobicContact CB-CD1 4.43Å; F526-F533 HydrophobicContact CB-CE1 4.46Å; F526-F533 HydrophobicContact CD1-CB 4.23Å; F526-F533 AromaticContact CD1-CD1 3.71Å; F526-F533 HydrophobicContact CD1-CD1 3.71Å; F526-F533 HydrophobicContact CD1-CE1 4.39Å; F526-F533 HydrophobicContact CD1-CG 4.21Å; F526-F533 HydrophobicContact CE1-CB 4.32Å
527	D	85.1	Confident	86.3	Confident	57 Å²	57	70.1 Å²	70.1	31%	0.305	40%	0.395	S	S	.	.			trans	-111.9	124.8	178.3	-170.1	-23.1	0	0	0	109.9	P525 T529 D530 V531 N532 F533	P525-D527 PolarHBondContact O-N 2.72Å; D527-T529 WeakPolarHBondContact OD1-CA 3.45Å; D527-T529 PolarHBondContact OD1-N 3.05Å; D527-T529 PolarHBondContact OD1-OG1 3.14Å; D527-D530 PolarHBondContact OD1-N 3.35Å; D527-D530 VanDerWaalsContact OD1-N 3.14Å; D527-V531 WeakPolarHBondContact O-CA 3.41Å; D527-N532 PolarHBondContact N-OD1 3.42Å; D527-F533 VanDerWaalsContact O-CE1 3.31Å; D527-F533 WeakPolarHBondContact O-CE1 3.48Å
528	G	80.7	Confident	86.7	Confident	22 Å²	22	67.7 Å²	67.7	23%	0.227	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-14.9	179.6	0	0	0	0	0	114	C433	C433-G528 PolarHBondContact SG-N 2.63Å; C433-G528 VanDerWaalsContact SG-N 3.43Å
529	T	80.4	Confident	87	Confident	123 Å²	123	62.4 Å²	62.4	76%	0.755	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-56.2	175.5	31.8	0	0	0	0	111.1	D527	D527-T529 WeakPolarHBondContact OD1-CA 3.45Å; D527-T529 PolarHBondContact OD1-N 3.05Å; D527-T529 PolarHBondContact OD1-OG1 3.14Å
530	D	82.7	Confident	87.4	Confident	132 Å²	132	55.1 Å²	55.1	71%	0.706	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	83.1	172.6	-76.4	-26	0	0	0	109	D527 N532	D527-D530 PolarHBondContact OD1-N 3.35Å; D527-D530 VanDerWaalsContact OD1-N 3.14Å; D530-N532 PolarHBondContact O-N 2.89Å
531	V	84.1	Confident	87.8	Confident	59 Å²	59	53.2 Å²	53.2	36%	0.358	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	110.4	-167.3	-173.6	0	0	0	0	112.4	I435 D527 F533 L535	I435-V531 HydrophobicContact CD1-CG1 4.23Å; I435-V531 HydrophobicContact CD1-CG2 3.62Å; D527-V531 WeakPolarHBondContact O-CA 3.41Å; V531-F533 HydrophobicContact CG1-CD1 4.17Å; V531-F533 HydrophobicContact CG1-CD2 3.92Å; V531-F533 HydrophobicContact CG1-CE1 4.02Å; V531-F533 HydrophobicContact CG1-CE2 3.75Å; V531-F533 HydrophobicContact CG1-CG 4.15Å; V531-F533 HydrophobicContact CG1-CZ 3.81Å; V531-L535 HydrophobicContact CB-CD1 4.38Å; V531-L535 HydrophobicContact CG1-CD1 3.86Å; V531-L535 HydrophobicContact CG1-CD2 4.19Å; V531-L535 HydrophobicContact CG1-CG 3.86Å; V531-L535 HydrophobicContact CG2-CD1 4.36Å
532	N	89.2	Confident	88.4	Confident	52 Å²	52	50.8 Å²	50.8	28%	0.278	29%	0.293	S	S	.	.			trans	-104.2	15.9	-175.7	66	-2.7	0	0	0	114.5	Y524 P525 D527 D530	Y524-N532 PolarHBondContact OH-O 3.16Å; P525-N532 PolarHBondContact O-ND2 3.21Å; D527-N532 PolarHBondContact N-OD1 3.42Å; D530-N532 PolarHBondContact O-N 2.89Å
533	F	90.4	Very high	89.2	Confident	10 Å²	10	46.3 Å²	46.3	4%	0.044	28%	0.276	C	S	.	.	S	Bend	trans	-132.2	158.3	179.8	51.9	-95.5	0	0	0	111.1	I435 V445 V447 I460 Y520 F526 D527 V531 L535	I435-F533 HydrophobicContact CD1-CE2 4.12Å; I435-F533 HydrophobicContact CD1-CZ 3.82Å; I435-F533 HydrophobicContact CG1-CZ 4.26Å; V445-F533 HydrophobicContact CG1-CE2 4.21Å; V447-F533 HydrophobicContact CG2-CD2 4.47Å; V447-F533 HydrophobicContact CG2-CE1 4.26Å; V447-F533 HydrophobicContact CG2-CE2 4.14Å; V447-F533 HydrophobicContact CG2-CZ 4.01Å; I460-F533 HydrophobicContact CD1-CB 4.34Å; I460-F533 HydrophobicContact CD1-CD2 3.69Å; I460-F533 HydrophobicContact CD1-CE2 4.44Å; I460-F533 HydrophobicContact CD1-CG 4.34Å; Y520-F533 HydrophobicContact CE1-CB 4.34Å; F526-F533 HydrophobicContact CB-CD1 4.43Å; F526-F533 HydrophobicContact CB-CE1 4.46Å; F526-F533 HydrophobicContact CD1-CB 4.23Å; F526-F533 AromaticContact CD1-CD1 3.71Å; F526-F533 HydrophobicContact CD1-CD1 3.71Å; F526-F533 HydrophobicContact CD1-CE1 4.39Å; F526-F533 HydrophobicContact CD1-CG 4.21Å; F526-F533 HydrophobicContact CE1-CB 4.32Å; D527-F533 VanDerWaalsContact O-CE1 3.31Å; D527-F533 WeakPolarHBondContact O-CE1 3.48Å; V531-F533 HydrophobicContact CG1-CD1 4.17Å; V531-F533 HydrophobicContact CG1-CD2 3.92Å; V531-F533 HydrophobicContact CG1-CE1 4.02Å; V531-F533 HydrophobicContact CG1-CE2 3.75Å; V531-F533 HydrophobicContact CG1-CG 4.15Å; V531-F533 HydrophobicContact CG1-CZ 3.81Å; F533-L535 HydrophobicContact CD2-CD2 4.31Å; F533-L535 HydrophobicContact CE2-CD2 3.94Å; F533-L535 PolarHBondContact O-N 3.43Å
534	P	91	Very high	89.9	Confident	31 Å²	31	41.2 Å²	41.2	20%	0.201	24%	0.241	C	C	.	.			trans	-64.3	134.6	-174.2	24.5	-34.6	0	0	0	112.8	I460 Y513 L515	I460-P534 HydrophobicContact CD1-CG 4.45Å; Y513-P534 HydrophobicContact CD1-CG 4.07Å; Y513-P534 HydrophobicContact CE1-CG 3.66Å; L515-P534 HydrophobicContact CD2-CG 3.73Å
535	L	90.5	Very high	90.3	Very high	40 Å²	40	38.2 Å²	38.2	21%	0.209	23%	0.229	C	C	.	.	S	Bend	trans	-112.7	24.2	172.3	-65.5	-178	0	0	0	112.6	I435 F443 V445 M462 R472 V531 F533	I435-L535 HydrophobicContact CD1-CD2 4.32Å; F443-L535 HydrophobicContact CZ-CD1 4.47Å; V445-L535 HydrophobicContact CG2-CD2 4.2Å; M462-L535 HydrophobicContact CE-CD2 3.95Å; R472-L535 PolarHBondContact NH1-O 2.88Å; V531-L535 HydrophobicContact CB-CD1 4.38Å; V531-L535 HydrophobicContact CG1-CD1 3.86Å; V531-L535 HydrophobicContact CG1-CD2 4.19Å; V531-L535 HydrophobicContact CG1-CG 3.86Å; V531-L535 HydrophobicContact CG2-CD1 4.36Å; F533-L535 HydrophobicContact CD2-CD2 4.31Å; F533-L535 HydrophobicContact CE2-CD2 3.94Å; F533-L535 PolarHBondContact O-N 3.43Å
536	S	91.4	Very high	90.5	Very high	81 Å²	81	33.4 Å²	33.4	57%	0.566	20%	0.198	S	C	*	.	S	Bend	trans	-151.1	158.1	176.9	58	0	0	0	0	110.1
537	G	91	Very high	90.6	Very high	21 Å²	21	33.6 Å²	33.6	22%	0.216	20%	0.2	C	C	.	.	S	Bend	trans	89.8	17.5	-178.8	0	0	0	0	0	113.2	R472 T474 Y513	R472-G537 PolarHBondContact O-N 3Å; T474-G537 PolarHBondContact OG1-O 3.1Å; Y513-G537 VanDerWaalsContact CD2-O 3.31Å; Y513-G537 WeakPolarHBondContact CD2-O 3.24Å; Y513-G537 WeakPolarHBondContact CE2-O 3.39Å
538	F	95	Very high	90.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	159.9	179.6	-67.8	-88.3	0	0	0	112.2	I460 M462 R472 C473 T474 T475 C511 Y513	I460-F538 HydrophobicContact CB-CE1 3.95Å; I460-F538 HydrophobicContact CG2-CE1 3.61Å; I460-F538 HydrophobicContact CG2-CZ 4.02Å; M462-F538 HydrophobicContact CB-CE1 4.44Å; M462-F538 HydrophobicContact CE-CD2 4.37Å; M462-F538 HydrophobicContact CE-CE1 4.37Å; M462-F538 HydrophobicContact CE-CE2 3.45Å; M462-F538 VanDerWaalsContact CE-CE2 3.45Å; M462-F538 HydrophobicContact CE-CZ 3.49Å; M462-F538 VanDerWaalsContact CE-CZ 3.49Å; M462-F538 HydrophobicContact SD-CD2 4.43Å; M462-F538 HydrophobicContact SD-CE2 4.04Å; M462-F538 HydrophobicContact SD-CZ 4.35Å; R472-F538 HydrophobicContact CB-CD2 4.14Å; R472-F538 PolarHBondContact O-N 3.11Å; R472-F538 VanDerWaalsContact O-N 3.16Å; C473-F538 CarbonylContact C-O 3.56Å; C473-F538 VanDerWaalsContact CA-O 3.23Å; C473-F538 WeakPolarHBondContact CA-O 3.48Å; T474-F538 PolarHBondContact N-O 3Å; T475-F538 PolarHBondContact N-O 3.02Å; C511-F538 HydrophobicContact CB-CB 3.9Å; Y513-F538 HydrophobicContact CG-CD1 4.42Å
539	R	95.1	Very high	91.2	Very high	50 Å²	50	30.8 Å²	30.8	19%	0.189	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118	166.8	178.6	176.1	63.7	-162.4	3.1	109.3	T475 L477 E482 C511 D512 I541	T475-R539 CarbonylContact O-C 3.37Å; T475-R539 WeakPolarHBondContact O-CA 3.37Å; T475-R539 WeakPolarHBondContact OG1-CA 3.43Å; T475-R539 WeakPolarHBondContact OG1-CB 3.46Å; L477-R539 HydrophobicContact CB-CG 4.31Å; E482-R539 VanDerWaalsContact CD-CD 3.48Å; E482-R539 HydrophobicContact CG-CG 4.3Å; E482-R539 WeakPolarHBondContact OE2-CD 3.41Å; E482-R539 IonicContact OE2-CZ 3.71Å; E482-R539 IonicContact OE2-NH1 2.95Å; E482-R539 PolarHBondContact OE2-NH1 3.39Å; C511-R539 VanDerWaalsContact CA-O 3.25Å; C511-R539 WeakPolarHBondContact CA-O 3.38Å; C511-R539 WeakPolarHBondContact CB-O 3.42Å; D512-R539 PolarHBondContact N-O 2.93Å; D512-R539 PolarHBondContact O-N 2.81Å; D512-R539 IonicContact OD1-CZ 3.82Å; D512-R539 IonicContact OD1-NE 3.94Å; D512-R539 PolarHBondContact OD1-NE 3.27Å; D512-R539 IonicContact OD1-NH2 2.84Å; D512-R539 PolarHBondContact OD1-NH2 3.13Å; D512-R539 VanDerWaalsContact OD1-NH2 3.11Å; D512-R539 IonicContact OD2-CZ 3.87Å; D512-R539 IonicContact OD2-NE 3.11Å; D512-R539 IonicContact OD2-NH2 3.38Å; D512-R539 PolarHBondContact OD2-NH2 2.94Å; R539-I541 HydrophobicContact CG-CD1 4.04Å
540	F	96.6	Very high	91.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.2	175	-172.9	-89.2	0	0	0	110.1	W347 I469 M470 C473 T475 I476 L477 F493 G542 L543	W347-F540 HydrophobicContact CE3-CE1 4.02Å; W347-F540 HydrophobicContact CE3-CZ 4.45Å; W347-F540 HydrophobicContact CZ3-CD1 4.42Å; W347-F540 AromaticContact CZ3-CE1 3.52Å; W347-F540 HydrophobicContact CZ3-CE1 3.52Å; W347-F540 HydrophobicContact CZ3-CZ 4.13Å; I469-F540 HydrophobicContact CG2-CD2 4.08Å; I469-F540 HydrophobicContact CG2-CE2 4.16Å; M470-F540 HydrophobicContact CE-CD1 4.37Å; M470-F540 HydrophobicContact CE-CD2 3.87Å; M470-F540 HydrophobicContact CE-CE1 4.39Å; M470-F540 HydrophobicContact CE-CE2 3.86Å; M470-F540 HydrophobicContact CE-CG 4.12Å; M470-F540 HydrophobicContact CE-CZ 4.13Å; M470-F540 HydrophobicContact SD-CD2 4.49Å; C473-F540 HydrophobicContact CB-CB 3.88Å; T475-F540 PolarHBondContact O-N 3.28Å; I476-F540 CarbonylContact C-O 3.33Å; I476-F540 WeakPolarHBondContact CA-O 3.41Å; I476-F540 HydrophobicContact CB-CB 4.42Å; I476-F540 HydrophobicContact CD1-CD1 3.95Å; I476-F540 HydrophobicContact CG1-CB 4.41Å; I476-F540 HydrophobicContact CG1-CD1 4.09Å; L477-F540 PolarHBondContact N-O 3.14Å; F493-F540 HydrophobicContact CD2-CE1 4.47Å; F493-F540 HydrophobicContact CD2-CE2 4.26Å; F493-F540 AromaticContact CD2-CZ 3.83Å; F493-F540 HydrophobicContact CD2-CZ 3.83Å; F493-F540 AromaticContact CE2-CE2 3.88Å; F493-F540 HydrophobicContact CE2-CE2 3.88Å; F493-F540 AromaticContact CE2-CZ 3.79Å; F493-F540 HydrophobicContact CE2-CZ 3.79Å; F540-G542 VanDerWaalsContact CE1-CA 3.45Å; F540-G542 WeakPolarHBondContact CZ-O 3.23Å; F540-L543 HydrophobicContact CE2-CD2 4.43Å; F540-L543 HydrophobicContact CZ-CD2 3.97Å; F540-L543 HydrophobicContact CZ-CG 4.07Å
541	I	96	Very high	91.9	Very high	2 Å²	2	21 Å²	21	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-48	180	-57.2	-54.3	0	0	0	111.6	T372 A375 L376 I379 L477 F510 R539	T372-I541 HydrophobicContact CG2-CG2 4.21Å; A375-I541 HydrophobicContact CB-CG2 4.21Å; L376-I541 HydrophobicContact CB-CG2 3.73Å; L376-I541 HydrophobicContact CD1-CB 4.49Å; L376-I541 HydrophobicContact CD1-CG2 4.07Å; L376-I541 HydrophobicContact CG-CG2 4.46Å; I379-I541 HydrophobicContact CD1-CB 3.94Å; I379-I541 HydrophobicContact CD1-CG1 3.45Å; I379-I541 VanDerWaalsContact CD1-CG1 3.45Å; I379-I541 HydrophobicContact CD1-CG2 4.43Å; L477-I541 HydrophobicContact CB-CD1 3.6Å; L477-I541 HydrophobicContact CD2-CD1 3.74Å; L477-I541 HydrophobicContact CG-CD1 4.3Å; F510-I541 PolarHBondContact O-N 3.25Å; R539-I541 HydrophobicContact CG-CD1 4.04Å
542	G	95.2	Very high	91.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.3	178.2	-174.9	0	0	0	0	0	114.5	W347 F510 F540	W347-G542 CarbonylContact O-C 3.59Å; W347-G542 WeakPolarHBondContact O-CA 3.47Å; F510-G542 PolarHBondContact N-O 2.84Å; F510-G542 PolarHBondContact O-N 3.42Å; F540-G542 VanDerWaalsContact CE1-CA 3.45Å; F540-G542 WeakPolarHBondContact CZ-O 3.23Å
543	L	96.1	Very high	91.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	152.3	169.1	-59.4	171.9	0	0	0	109.9	A346 W347 P466 F493 F500 V507 L508 F540	A346-L543 CarbonylContact C-O 3.5Å; A346-L543 WeakPolarHBondContact CA-O 3.23Å; W347-L543 HydrophobicContact CB-CB 4.05Å; W347-L543 HydrophobicContact CE3-CD1 4.19Å; W347-L543 HydrophobicContact CE3-CG 4.09Å; W347-L543 PolarHBondContact N-O 2.93Å; W347-L543 PolarHBondContact O-N 3.15Å; P466-L543 HydrophobicContact CB-CD2 3.98Å; P466-L543 HydrophobicContact CG-CD2 4.25Å; F493-L543 HydrophobicContact CD2-CD1 3.91Å; F493-L543 HydrophobicContact CD2-CD2 4.26Å; F493-L543 HydrophobicContact CD2-CG 4.22Å; F493-L543 HydrophobicContact CE2-CD1 3.88Å; F493-L543 HydrophobicContact CE2-CD2 3.53Å; F493-L543 HydrophobicContact CE2-CG 3.98Å; F493-L543 HydrophobicContact CZ-CD2 4.34Å; F500-L543 HydrophobicContact CE2-CB 4.4Å; F500-L543 HydrophobicContact CE2-CD1 4.4Å; V507-L543 HydrophobicContact CG1-CB 4.04Å; V507-L543 HydrophobicContact CG1-CD1 4.12Å; V507-L543 HydrophobicContact CG1-CD2 4.06Å; V507-L543 HydrophobicContact CG1-CG 4.31Å; L508-L543 WeakPolarHBondContact O-CA 3.47Å; F540-L543 HydrophobicContact CE2-CD2 4.43Å; F540-L543 HydrophobicContact CZ-CD2 3.97Å; F540-L543 HydrophobicContact CZ-CG 4.07Å
544	M	95.9	Very high	92	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.9	157.3	-60.2	-175.1	-162.6	0	0	109.2	V343 H345 A346 L376 M377 A380 L411 F414 L508 F510	V343-M544 HydrophobicContact CG1-CB 4.41Å; V343-M544 HydrophobicContact CG1-SD 4.38Å; H345-M544 CarbonylContact O-C 3.58Å; H345-M544 WeakPolarHBondContact O-CA 3.13Å; A346-M544 HydrophobicContact CB-CG 4.26Å; L376-M544 HydrophobicContact CD1-CE 3.96Å; L376-M544 HydrophobicContact CD2-CE 3.84Å; L376-M544 HydrophobicContact CD2-CG 4.34Å; L376-M544 HydrophobicContact CG-CE 3.44Å; L376-M544 VanDerWaalsContact CG-CE 3.44Å; M377-M544 HydrophobicContact CE-CE 3.15Å; M377-M544 HydrophobicContact CE-SD 4.3Å; M377-M544 HydrophobicContact SD-CE 4.39Å; A380-M544 HydrophobicContact CB-CE 3.6Å; A380-M544 HydrophobicContact CB-SD 4.29Å; L411-M544 HydrophobicContact CD2-CB 4.32Å; L411-M544 HydrophobicContact CD2-SD 3.42Å; L411-M544 WeakPolarHBondContact CD2-SD 3.15Å; F414-M544 HydrophobicContact CD1-SD 4.29Å; L508-M544 PolarHBondContact N-O 3.45Å; L508-M544 PolarHBondContact O-N 3.22Å; F510-M544 HydrophobicContact CD2-CG 4.26Å; F510-M544 HydrophobicContact CE2-CB 3.69Å; F510-M544 HydrophobicContact CE2-CE 4.49Å; F510-M544 HydrophobicContact CE2-CG 3.66Å; F510-M544 HydrophobicContact CE2-SD 4.21Å; F510-M544 HydrophobicContact CZ-CB 4.3Å; F510-M544 HydrophobicContact CZ-CG 4.25Å; F510-M544 HydrophobicContact CZ-SD 4.22Å
545	S	94.1	Very high	92	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	150.7	169.9	73.4	0	0	0	0	110.2	V343 S344 H345 E505 R506	V343-S545 WeakPolarHBondContact CA-O 3.36Å; S344-S545 PolarHBondContact N-O 3.25Å; H345-S545 WeakPolarHBondContact CA-OG 3.07Å; H345-S545 VanDerWaalsContact CB-OG 3.29Å; H345-S545 WeakPolarHBondContact CB-OG 3.47Å; H345-S545 PolarHBondContact N-OG 2.9Å; H345-S545 PolarHBondContact O-N 3.19Å; H345-S545 PolarHBondContact O-OG 2.87Å; E505-S545 WeakPolarHBondContact OE2-CB 3.45Å; E505-S545 PolarHBondContact OE2-OG 3.5Å; R506-S545 CarbonylContact O-C 3.53Å; R506-S545 VanDerWaalsContact O-CA 3.29Å; R506-S545 WeakPolarHBondContact O-CA 3.41Å
546	M	92.8	Very high	92.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.7	177.6	58.9	-170	70.8	0	0	110	M341 T342 S407 A410 L411 R506 L508	M341-M546 HydrophobicContact CG-CB 3.95Å; M341-M546 HydrophobicContact CG-CG 3.77Å; M341-M546 HydrophobicContact CG-SD 3.74Å; M341-M546 HydrophobicContact SD-CB 3.95Å; M341-M546 HydrophobicContact SD-CG 3.71Å; M341-M546 HydrophobicContact SD-SD 4.38Å; T342-M546 CarbonylContact O-C 3.57Å; T342-M546 VanDerWaalsContact O-CA 3.22Å; T342-M546 WeakPolarHBondContact O-CA 2.95Å; T342-M546 WeakPolarHBondContact O-CB 3.41Å; S407-M546 VanDerWaalsContact CA-SD 3.52Å; S407-M546 VanDerWaalsContact CB-SD 3.51Å; S407-M546 PolarHBondContact OG-SD 3.47Å; A410-M546 HydrophobicContact CB-SD 4.31Å; L411-M546 HydrophobicContact CD1-CE 4.33Å; L411-M546 HydrophobicContact CD2-CE 3.94Å; L411-M546 HydrophobicContact CG-CE 3.89Å; R506-M546 HydrophobicContact CB-CG 3.96Å; R506-M546 HydrophobicContact CG-CG 4.49Å; R506-M546 PolarHBondContact N-O 3.38Å; R506-M546 WeakPolarHBondContact O-CG 3.38Å; R506-M546 PolarHBondContact O-N 2.85Å; L508-M546 HydrophobicContact CD1-CE 3.59Å; L508-M546 HydrophobicContact CG-CE 4.22Å
547	M	90.1	Very high	92.3	Very high	26 Å²	26	19.5 Å²	19.5	13%	0.128	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	169.5	176.9	69.8	179.9	-61.1	0	0	109.9	M341 T342 E505 P549 V582	M341-M547 VanDerWaalsContact SD-C 3.5Å; T342-M547 PolarHBondContact N-O 2.91Å; T342-M547 PolarHBondContact O-N 3.16Å; E505-M547 HydrophobicContact CG-CB 4.12Å; E505-M547 HydrophobicContact CG-SD 4.42Å; M547-P549 VanDerWaalsContact O-CD 3.26Å; M547-P549 WeakPolarHBondContact O-CD 3.44Å; M547-V582 HydrophobicContact CE-CG2 4.18Å
548	D	88	Confident	92.5	Very high	20 Å²	20	18.5 Å²	18.5	11%	0.107	11%	0.111	C	C	.	.			trans	-86.9	102.1	163	-177.9	21.5	0	0	0	108.6	T337 Q338 N339 R340	T337-D548 VanDerWaalsContact CB-CG 3.46Å; T337-D548 WeakPolarHBondContact CB-OD2 3.22Å; T337-D548 WeakPolarHBondContact CG2-O 3.41Å; T337-D548 VanDerWaalsContact OG1-CG 3.32Å; T337-D548 PolarHBondContact OG1-OD2 2.9Å; Q338-D548 PolarHBondContact N-OD1 3.35Å; N339-D548 WeakPolarHBondContact CA-OD1 3.4Å; N339-D548 WeakPolarHBondContact CA-OD2 3.44Å; N339-D548 PolarHBondContact N-OD1 2.84Å; N339-D548 PolarHBondContact N-OD2 2.83Å; R340-D548 PolarHBondContact N-OD1 3.13Å
549	P	89.2	Confident	92.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-76.2	152.8	-169.1	32.4	-34.8	0	0	0	111.6	T337 Q338 R340 T357 M547	T337-P549 VanDerWaalsContact CA-O 3.31Å; T337-P549 WeakPolarHBondContact CA-O 3.16Å; T337-P549 WeakPolarHBondContact CB-O 3.37Å; Q338-P549 HydrophobicContact CG-CG 4.48Å; Q338-P549 PolarHBondContact N-O 3.21Å; R340-P549 WeakPolarHBondContact O-CD 3.3Å; T357-P549 HydrophobicContact CG2-CB 4.31Å; M547-P549 VanDerWaalsContact O-CD 3.26Å; M547-P549 WeakPolarHBondContact O-CD 3.44Å
550	P	90	Very high	92.4	Very high	22 Å²	22	23 Å²	23	14%	0.143	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-55.8	151.8	168.1	-23.8	33.6	0	0	0	112.6	L336 Q338 S585 V586	L336-P550 WeakPolarHBondContact O-CA 3.29Å; Q338-P550 PolarHBondContact NE2-O 3.26Å; P550-S585 VanDerWaalsContact CG-OG 3.22Å; P550-S585 WeakPolarHBondContact CG-OG 3.43Å; P550-V586 HydrophobicContact CB-CG1 3.73Å; P550-V586 HydrophobicContact CG-CG1 3.79Å
551	R	88.2	Confident	92.3	Very high	26 Å²	26	23 Å²	23	10%	0.098	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-68.2	144.6	167.3	-60.3	173.2	178.6	-91	13.3	109.6	G334 T335 L336 T337 Q338 E359 A553 V554 P555 D708	G334-R551 PolarHBondContact O-NH2 2.89Å; T335-R551 WeakPolarHBondContact O-CD 3.4Å; T335-R551 PolarHBondContact O-NE 2.94Å; L336-R551 PolarHBondContact O-N 3.19Å; T337-R551 PolarHBondContact O-NE 3.4Å; Q338-R551 HydrophobicContact CG-CB 4.5Å; Q338-R551 HydrophobicContact CG-CG 3.84Å; E359-R551 IonicContact OE1-NH1 3.36Å; R551-A553 PolarHBondContact O-N 3.37Å; R551-A553 VanDerWaalsContact O-N 3.12Å; R551-V554 HydrophobicContact CB-CB 4.48Å; R551-V554 HydrophobicContact CB-CG2 3.73Å; R551-V554 HydrophobicContact CG-CG2 4.46Å; R551-V554 WeakPolarHBondContact O-CB 3.36Å; R551-V554 PolarHBondContact O-N 3.47Å; R551-P555 WeakPolarHBondContact O-CD 3.28Å; R551-D708 IonicContact NH2-OD2 3.37Å; R551-D708 PolarHBondContact NH2-OD2 3.34Å
552	A	85.1	Confident	92.2	Very high	73 Å²	73	27.1 Å²	27.1	60%	0.603	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-33	-171.9	0	0	0	0	0	114.3
553	A	88.4	Confident	92.1	Very high	33 Å²	33	31 Å²	31	27%	0.273	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-14.4	-179.3	0	0	0	0	0	114.2	R551 A557 N709 A711	R551-A553 PolarHBondContact O-N 3.37Å; R551-A553 VanDerWaalsContact O-N 3.12Å; A553-A557 VanDerWaalsContact O-CB 3.31Å; A553-A557 WeakPolarHBondContact O-CB 2.84Å; A553-A557 PolarHBondContact O-N 2.89Å; A553-N709 WeakPolarHBondContact CB-OD1 3.49Å; A553-A711 HydrophobicContact CB-CB 4.19Å
554	V	92	Very high	92	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-46	-173.2	165.7	0	0	0	0	112.6	L336 R551 D556 A557 V558 V586 F710	L336-V554 HydrophobicContact CB-CG1 4.31Å; L336-V554 HydrophobicContact CD2-CG1 3.59Å; R551-V554 HydrophobicContact CB-CB 4.48Å; R551-V554 HydrophobicContact CB-CG2 3.73Å; R551-V554 HydrophobicContact CG-CG2 4.46Å; R551-V554 WeakPolarHBondContact O-CB 3.36Å; R551-V554 PolarHBondContact O-N 3.47Å; V554-D556 PolarHBondContact O-N 3.31Å; V554-A557 PolarHBondContact O-N 3.15Å; V554-V558 HydrophobicContact CG1-CG2 4.08Å; V554-V558 WeakPolarHBondContact O-CG2 3.38Å; V554-V558 PolarHBondContact O-N 2.97Å; V554-V586 HydrophobicContact CG1-CB 3.91Å; V554-V586 HydrophobicContact CG1-CG1 3.62Å; V554-F710 HydrophobicContact CG2-CB 3.54Å; V554-F710 HydrophobicContact CG2-CG 4.11Å
555	P	91.9	Very high	91.9	Very high	50 Å²	50	33.1 Å²	33.1	33%	0.325	21%	0.205	S	C	.	.	H	α-helix	trans	-58.2	-44.1	179.5	-26.3	35	0	0	0	113.8	R551 A559	R551-P555 WeakPolarHBondContact O-CD 3.28Å; P555-A559 WeakPolarHBondContact O-CB 3.49Å; P555-A559 PolarHBondContact O-N 3.2Å
556	D	93.2	Very high	92	Very high	87 Å²	87	33.3 Å²	33.3	47%	0.465	21%	0.206	S	C	.	.	H	α-helix	trans	-66.6	-40.8	176.2	178.3	60.1	0	0	0	111.6	V554 A559 K560	V554-D556 PolarHBondContact O-N 3.31Å; D556-A559 PolarHBondContact O-N 2.71Å; D556-K560 WeakPolarHBondContact O-CG 3.49Å; D556-K560 PolarHBondContact O-N 3.07Å; D556-K560 IonicContact OD1-NZ 3.4Å; D556-K560 VanDerWaalsContact OD2-CE 3.22Å; D556-K560 WeakPolarHBondContact OD2-CE 3.45Å; D556-K560 IonicContact OD2-NZ 3.94Å; D556-K560 PolarHBondContact OD2-NZ 2.79Å
557	A	94	Very high	92.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-42.8	179.3	0	0	0	0	0	112.5	A553 V554 K560 C561 F710 A711 V714	A553-A557 VanDerWaalsContact O-CB 3.31Å; A553-A557 WeakPolarHBondContact O-CB 2.84Å; A553-A557 PolarHBondContact O-N 2.89Å; V554-A557 PolarHBondContact O-N 3.15Å; A557-K560 PolarHBondContact O-N 2.82Å; A557-C561 PolarHBondContact O-N 3.4Å; A557-C561 PolarHBondContact O-SG 2.7Å; A557-C561 VanDerWaalsContact O-SG 3.38Å; A557-F710 HydrophobicContact CB-CD1 3.73Å; A557-F710 HydrophobicContact CB-CE1 4.44Å; A557-A711 HydrophobicContact CB-CB 4.3Å; A557-V714 HydrophobicContact CB-CG2 3.8Å
558	V	94.9	Very high	92.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-43.2	174	172.3	0	0	0	0	110.4	V554 K560 C561 R562 V568 V586 I588 F710	V554-V558 HydrophobicContact CG1-CG2 4.08Å; V554-V558 WeakPolarHBondContact O-CG2 3.38Å; V554-V558 PolarHBondContact O-N 2.97Å; V558-K560 VanDerWaalsContact C-N 3.33Å; V558-K560 PolarHBondContact O-N 2.79Å; V558-C561 PolarHBondContact O-N 3.45Å; V558-R562 WeakPolarHBondContact O-CG 3.23Å; V558-R562 PolarHBondContact O-N 3.14Å; V558-V568 HydrophobicContact CG1-CG2 4.38Å; V558-V586 WeakPolarHBondContact CB-O 3.35Å; V558-V586 WeakPolarHBondContact CG1-O 3.38Å; V558-I588 HydrophobicContact CG1-CG1 4.1Å; V558-F710 HydrophobicContact CG2-CE1 4.12Å
559	A	94	Very high	92.8	Very high	47 Å²	47	33.4 Å²	33.4	39%	0.388	21%	0.205	S	C	.	.	H	α-helix	trans	-61	-40	176.1	0	0	0	0	0	112.5	P555 D556 R562 S563	P555-A559 WeakPolarHBondContact O-CB 3.49Å; P555-A559 PolarHBondContact O-N 3.2Å; D556-A559 PolarHBondContact O-N 2.71Å; A559-R562 PolarHBondContact O-N 3.38Å; A559-S563 WeakPolarHBondContact O-CB 3.32Å; A559-S563 PolarHBondContact O-N 2.84Å; A559-S563 PolarHBondContact O-OG 3.29Å
560	K	94.2	Very high	93.1	Very high	97 Å²	97	33.4 Å²	33.4	42%	0.422	21%	0.205	S	C	.	.	H	α-helix	trans	-66.9	-43	174.9	-75.6	176.1	-179.3	159.1	0	112.5	D556 A557 V558 R562 S563 A564 V714	D556-K560 WeakPolarHBondContact O-CG 3.49Å; D556-K560 PolarHBondContact O-N 3.07Å; D556-K560 IonicContact OD1-NZ 3.4Å; D556-K560 VanDerWaalsContact OD2-CE 3.22Å; D556-K560 WeakPolarHBondContact OD2-CE 3.45Å; D556-K560 IonicContact OD2-NZ 3.94Å; D556-K560 PolarHBondContact OD2-NZ 2.79Å; A557-K560 PolarHBondContact O-N 2.82Å; V558-K560 VanDerWaalsContact C-N 3.33Å; V558-K560 PolarHBondContact O-N 2.79Å; K560-R562 VanDerWaalsContact C-N 3.32Å; K560-R562 PolarHBondContact O-N 2.87Å; K560-S563 WeakPolarHBondContact O-CB 3.31Å; K560-S563 PolarHBondContact O-N 2.83Å; K560-A564 WeakPolarHBondContact O-CB 3.47Å; K560-A564 PolarHBondContact O-N 2.91Å; K560-V714 HydrophobicContact CB-CG1 3.86Å; K560-V714 HydrophobicContact CB-CG2 4.16Å; K560-V714 HydrophobicContact CD-CG1 3.95Å
561	C	94.9	Very high	93.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-45.5	173.3	-72.2	0	0	0	0	111.4	I328 A557 V558 S563 A564 G565 I566 V568	I328-C561 HydrophobicContact CD1-CB 4.36Å; A557-C561 PolarHBondContact O-N 3.4Å; A557-C561 PolarHBondContact O-SG 2.7Å; A557-C561 VanDerWaalsContact O-SG 3.38Å; V558-C561 PolarHBondContact O-N 3.45Å; C561-S563 PolarHBondContact O-N 3.21Å; C561-A564 CarbonylContact O-C 3.29Å; C561-A564 WeakPolarHBondContact O-CB 3.36Å; C561-A564 PolarHBondContact O-N 3.03Å; C561-G565 PolarHBondContact O-N 2.63Å; C561-I566 HydrophobicContact CB-CB 4.31Å; C561-I566 VanDerWaalsContact O-CB 3.31Å; C561-I566 WeakPolarHBondContact O-CB 3.47Å; C561-I566 PolarHBondContact O-N 3.32Å; C561-V568 HydrophobicContact CB-CG2 4.12Å
562	R	93.8	Very high	93.5	Very high	89 Å²	89	31.5 Å²	31.5	34%	0.336	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-39.8	176.3	-70.4	-174.4	67.4	171.2	5.4	112.6	V558 A559 K560 A564 G565 V568 G587 S590 E642	V558-R562 WeakPolarHBondContact O-CG 3.23Å; V558-R562 PolarHBondContact O-N 3.14Å; A559-R562 PolarHBondContact O-N 3.38Å; K560-R562 VanDerWaalsContact C-N 3.32Å; K560-R562 PolarHBondContact O-N 2.87Å; R562-A564 PolarHBondContact O-N 2.79Å; R562-G565 PolarHBondContact O-N 3.3Å; R562-V568 HydrophobicContact CG-CG2 4.44Å; R562-G587 WeakPolarHBondContact CD-O 3.47Å; R562-G587 PolarHBondContact NH1-O 3.24Å; R562-S590 PolarHBondContact NH1-OG 2.89Å; R562-S590 PolarHBondContact NH2-OG 3.17Å; R562-E642 IonicContact CZ-OE1 2.71Å; R562-E642 IonicContact NH1-OE1 3.6Å; R562-E642 PolarHBondContact NH1-OE1 3.34Å; R562-E642 IonicContact NH2-OE1 3Å; R562-E642 PolarHBondContact NH2-OE1 3.14Å
563	S	93.1	Very high	93.5	Very high	82 Å²	82	28.8 Å²	28.8	57%	0.573	18%	0.175	S	C	*	.	H	α-helix	trans	-62.5	-32.5	174.9	-59.6	0	0	0	0	112.1	A559 K560 C561 G565	A559-S563 WeakPolarHBondContact O-CB 3.32Å; A559-S563 PolarHBondContact O-N 2.84Å; A559-S563 PolarHBondContact O-OG 3.29Å; K560-S563 WeakPolarHBondContact O-CB 3.31Å; K560-S563 PolarHBondContact O-N 2.83Å; C561-S563 PolarHBondContact O-N 3.21Å; S563-G565 PolarHBondContact O-N 2.67Å
564	A	94.1	Very high	93.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	6.2	173.4	0	0	0	0	0	114	K560 C561 R562 I566 R721 M787 R789 P791	K560-A564 WeakPolarHBondContact O-CB 3.47Å; K560-A564 PolarHBondContact O-N 2.91Å; C561-A564 CarbonylContact O-C 3.29Å; C561-A564 WeakPolarHBondContact O-CB 3.36Å; C561-A564 PolarHBondContact O-N 3.03Å; R562-A564 PolarHBondContact O-N 2.79Å; A564-I566 VanDerWaalsContact C-N 3.34Å; A564-I566 HydrophobicContact CB-CD1 4.47Å; A564-I566 HydrophobicContact CB-CG1 4.41Å; A564-R721 PolarHBondContact O-NH2 2.84Å; A564-M787 WeakPolarHBondContact CA-O 3.45Å; A564-M787 HydrophobicContact CB-CE 3.92Å; A564-M787 WeakPolarHBondContact CB-O 3.46Å; A564-M787 PolarHBondContact N-O 3.1Å; A564-R789 CarbonylContact C-O 3.55Å; A564-P791 WeakPolarHBondContact O-CD 3.39Å
565	G	94.2	Very high	92.8	Very high	43 Å²	43	32 Å²	32	44%	0.443	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	14.7	179.6	0	0	0	0	0	114.8	C561 R562 S563	C561-G565 PolarHBondContact O-N 2.63Å; R562-G565 PolarHBondContact O-N 3.3Å; S563-G565 PolarHBondContact O-N 2.67Å
566	I	95.9	Very high	92.5	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	18%	0.178	C	C	.	.			trans	-86.8	128.8	179.3	-55.8	177.2	0	0	0	109.5	T325 I328 C561 A564 V717 P791	T325-I566 HydrophobicContact CG2-CG2 4.37Å; I328-I566 HydrophobicContact CD1-CG2 3.75Å; I328-I566 HydrophobicContact CG1-CG2 3.73Å; C561-I566 HydrophobicContact CB-CB 4.31Å; C561-I566 VanDerWaalsContact O-CB 3.31Å; C561-I566 WeakPolarHBondContact O-CB 3.47Å; C561-I566 PolarHBondContact O-N 3.32Å; A564-I566 VanDerWaalsContact C-N 3.34Å; A564-I566 HydrophobicContact CB-CD1 4.47Å; A564-I566 HydrophobicContact CB-CG1 4.41Å; I566-V717 HydrophobicContact CD1-CG1 3.85Å; I566-V717 HydrophobicContact CD1-CG2 3.88Å; I566-P791 HydrophobicContact CG1-CG 4.01Å
567	K	95.3	Very high	92.2	Very high	40 Å²	40	30.8 Å²	30.8	17%	0.174	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	127.5	172.9	-177.1	176.2	179.7	169.9	0	109.7	S326 T327 I328 V569 I637 Y640 K641 I643	S326-K567 PolarHBondContact O-N 3.06Å; T327-K567 CarbonylContact C-O 3.58Å; T327-K567 VanDerWaalsContact CA-O 3.22Å; T327-K567 WeakPolarHBondContact CA-O 3.23Å; T327-K567 HydrophobicContact CG2-CB 4.43Å; I328-K567 PolarHBondContact N-O 3.29Å; K567-V569 HydrophobicContact CD-CG2 4.36Å; K567-V569 HydrophobicContact CG-CG2 4.15Å; K567-I637 PolarHBondContact NZ-O 3.07Å; K567-Y640 WeakPolarHBondContact CE-O 3.44Å; K567-Y640 PolarHBondContact NZ-O 2.93Å; K567-K641 WeakPolarHBondContact CE-O 2.92Å; K567-I643 VanDerWaalsContact NZ-CD1 3.32Å
568	V	95.9	Very high	91.8	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.5	176.4	-171.8	0	0	0	0	108.7	I328 V558 C561 R562 I588	I328-V568 WeakPolarHBondContact O-CA 3.14Å; V558-V568 HydrophobicContact CG1-CG2 4.38Å; C561-V568 HydrophobicContact CB-CG2 4.12Å; R562-V568 HydrophobicContact CG-CG2 4.44Å; V568-I588 HydrophobicContact CB-CG1 4.23Å; V568-I588 HydrophobicContact CG1-CD1 3.86Å; V568-I588 HydrophobicContact CG1-CG1 3.75Å
569	V	96.3	Very high	91.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.1	-178	178.8	0	0	0	0	108.2	T327 I328 C329 S330 K567 V571 I643 F645	T327-V569 HydrophobicContact CG2-CG2 4.01Å; I328-V569 PolarHBondContact O-N 3.29Å; C329-V569 CarbonylContact C-O 3.58Å; C329-V569 WeakPolarHBondContact CA-O 3.36Å; S330-V569 PolarHBondContact N-O 3.07Å; K567-V569 HydrophobicContact CD-CG2 4.36Å; K567-V569 HydrophobicContact CG-CG2 4.15Å; V569-V571 HydrophobicContact CG1-CG2 4.05Å; V569-I643 HydrophobicContact CG1-CB 4.14Å; V569-I643 HydrophobicContact CG1-CG2 4.25Å; V569-I643 HydrophobicContact CG2-CB 4.41Å; V569-F645 HydrophobicContact CG1-CD2 3.75Å; V569-F645 HydrophobicContact CG1-CE2 3.85Å
570	M	96.4	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.6	173.6	-177.4	-179.4	-77.7	0	0	109.6	S330 K332 L336 T572 A579 V582 A583 I588 I643 V644 F645	S330-M570 WeakPolarHBondContact O-CA 3.39Å; K332-M570 HydrophobicContact CB-CE 4.28Å; K332-M570 HydrophobicContact CB-CG 4.35Å; K332-M570 HydrophobicContact CB-SD 4.09Å; K332-M570 HydrophobicContact CG-CE 4.12Å; K332-M570 HydrophobicContact CG-SD 4.23Å; L336-M570 HydrophobicContact CD1-CE 3.7Å; M570-T572 HydrophobicContact CG-CG2 4.25Å; M570-T572 HydrophobicContact SD-CG2 4.24Å; M570-A579 HydrophobicContact SD-CB 4.11Å; M570-V582 HydrophobicContact CE-CB 4.22Å; M570-V582 HydrophobicContact CE-CG1 3.89Å; M570-A583 HydrophobicContact CE-CB 3.91Å; M570-A583 HydrophobicContact SD-CB 4.2Å; M570-I588 HydrophobicContact CB-CD1 4.03Å; M570-I588 HydrophobicContact CE-CD1 4.08Å; M570-I643 PolarHBondContact N-O 3.27Å; M570-I643 VanDerWaalsContact N-O 3.17Å; M570-V644 HydrophobicContact CB-CB 4.46Å; M570-V644 HydrophobicContact CB-CG1 4.2Å; M570-V644 HydrophobicContact CB-CG2 4.18Å; M570-V644 HydrophobicContact CG-CG1 4.34Å; M570-V644 HydrophobicContact SD-CG1 4.02Å; M570-F645 PolarHBondContact O-N 3.25Å
571	V	94.9	Very high	91.2	Very high	8 Å²	8	28.2 Å²	28.2	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	99.8	178.3	-173.5	0	0	0	0	109.5	C329 S330 V569 F645 T648 K653 I656	C329-V571 HydrophobicContact CB-CG2 4.17Å; S330-V571 PolarHBondContact O-N 3.4Å; V569-V571 HydrophobicContact CG1-CG2 4.05Å; V571-F645 HydrophobicContact CG1-CB 4.47Å; V571-F645 HydrophobicContact CG2-CD2 4.22Å; V571-T648 HydrophobicContact CG1-CG2 4.3Å; V571-K653 HydrophobicContact CG1-CB 4.07Å; V571-K653 HydrophobicContact CG1-CD 4.01Å; V571-K653 HydrophobicContact CG1-CG 3.68Å; V571-K653 PolarHBondContact O-NZ 3.01Å; V571-I656 HydrophobicContact CG1-CD1 3.68Å; V571-I656 HydrophobicContact CG2-CD1 4.36Å; V571-I656 HydrophobicContact CG2-CG2 4.11Å
572	T	91	Very high	91	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.163	C	C	.	.			trans	-135.7	151.2	-170	-169.2	0	0	0	0	113.9	D331 K332 M570 D574 A579 F645 A646 R647 T648	D331-T572 PolarHBondContact OD1-OG1 3.46Å; K332-T572 HydrophobicContact CB-CG2 4.19Å; M570-T572 HydrophobicContact CG-CG2 4.25Å; M570-T572 HydrophobicContact SD-CG2 4.24Å; T572-D574 HydrophobicContact CG2-CB 3.92Å; T572-D574 PolarHBondContact OG1-N 3.49Å; T572-A579 HydrophobicContact CG2-CB 3.68Å; T572-F645 PolarHBondContact N-O 2.98Å; T572-A646 CarbonylContact O-C 3.55Å; T572-A646 WeakPolarHBondContact O-CA 3.29Å; T572-R647 PolarHBondContact O-N 3.43Å; T572-T648 PolarHBondContact O-N 2.9Å; T572-T648 PolarHBondContact O-OG1 3.36Å; T572-T648 VanDerWaalsContact O-OG1 3.08Å
573	G	84.7	Confident	91	Very high	15 Å²	15	24 Å²	24	16%	0.155	15%	0.147	C	C	.	.	S	Bend	trans	-74.9	-11.9	170.7	0	0	0	0	0	113.9	R647	G573-R647 WeakPolarHBondContact O-CA 3.27Å
574	D	82.6	Confident	90.9	Very high	16 Å²	16	23.8 Å²	23.8	9%	0.086	14%	0.136	C	C	.	.	S	Bend	trans	-66.9	162.9	-175.6	-97.7	55.4	0	0	0	114.2	K332 T333 T572 R647	K332-D574 HydrophobicContact CD-CB 4.28Å; K332-D574 WeakPolarHBondContact CE-OD1 3.16Å; K332-D574 WeakPolarHBondContact CE-OD2 3.39Å; K332-D574 IonicContact NZ-OD1 3.14Å; K332-D574 PolarHBondContact NZ-OD1 3.14Å; K332-D574 IonicContact NZ-OD2 3.07Å; K332-D574 PolarHBondContact NZ-OD2 3.38Å; T333-D574 PolarHBondContact OG1-OD1 3.08Å; T572-D574 HydrophobicContact CG2-CB 3.92Å; T572-D574 PolarHBondContact OG1-N 3.49Å; D574-R647 PolarHBondContact O-N 3.19Å
575	H	82.7	Confident	90.7	Very high	85 Å²	85	26.5 Å²	26.5	39%	0.394	16%	0.155	S	C	.	.			trans	-61.2	141	174.7	-165	-93.7	0	0	0	112	I577 T578 A579	H575-I577 VanDerWaalsContact C-N 3.27Å; H575-I577 PolarHBondContact O-N 2.99Å; H575-I577 VanDerWaalsContact O-N 3.14Å; H575-T578 PolarHBondContact O-N 2.89Å; H575-T578 VanDerWaalsContact O-N 3.15Å; H575-A579 PolarHBondContact O-N 3.4Å
576	P	87.2	Confident	90.6	Very high	27 Å²	27	24.5 Å²	24.5	18%	0.175	13%	0.134	C	C	.	.	H	α-helix	trans	-53.5	-37.3	-176.2	-30.8	36	0	0	0	115.6	K580 V619 A646	P576-K580 WeakPolarHBondContact O-CB 3.49Å; P576-K580 PolarHBondContact O-N 3.03Å; P576-V619 HydrophobicContact CB-CG1 4.11Å; P576-A646 HydrophobicContact CB-CB 4.1Å; P576-A646 HydrophobicContact CG-CB 3.92Å
577	I	86.5	Confident	90.5	Very high	84 Å²	84	25.6 Å²	25.6	43%	0.431	15%	0.146	S	C	.	.	H	α-helix	trans	-63.9	-49.9	-179.6	-58.4	174.1	0	0	0	110.4	G501 H575 K580 A581	G501-I577 WeakPolarHBondContact O-CG2 3.44Å; H575-I577 VanDerWaalsContact C-N 3.27Å; H575-I577 PolarHBondContact O-N 2.99Å; H575-I577 VanDerWaalsContact O-N 3.14Å; I577-K580 PolarHBondContact O-N 3.47Å; I577-A581 WeakPolarHBondContact O-CB 3.4Å; I577-A581 PolarHBondContact O-N 2.83Å
578	T	86	Confident	90.5	Very high	39 Å²	39	23.8 Å²	23.8	24%	0.239	14%	0.138	C	C	.	.	H	α-helix	trans	-65.1	-44.1	177.9	-53.3	0	0	0	0	111.2	G504 H575 K580 A581 V582	G504-T578 PolarHBondContact O-OG1 3.41Å; H575-T578 PolarHBondContact O-N 2.89Å; H575-T578 VanDerWaalsContact O-N 3.15Å; T578-K580 PolarHBondContact O-N 2.91Å; T578-A581 PolarHBondContact O-N 2.93Å; T578-V582 HydrophobicContact CG2-CG2 4.48Å; T578-V582 WeakPolarHBondContact O-CG2 3.44Å; T578-V582 PolarHBondContact O-N 3.46Å
579	A	89.7	Confident	90.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-46	176.7	0	0	0	0	0	111.8	M570 T572 H575 V582 A583 V644 A646	M570-A579 HydrophobicContact SD-CB 4.11Å; T572-A579 HydrophobicContact CG2-CB 3.68Å; H575-A579 PolarHBondContact O-N 3.4Å; A579-V582 PolarHBondContact O-N 3.17Å; A579-A583 WeakPolarHBondContact O-CB 3.39Å; A579-A583 PolarHBondContact O-N 2.82Å; A579-V644 HydrophobicContact CB-CG1 3.8Å; A579-A646 HydrophobicContact CB-CB 3.89Å
580	K	91.6	Very high	90.2	Very high	34 Å²	34	24.9 Å²	24.9	15%	0.148	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-44.3	176.8	179.8	177.4	178.1	166.4	0	112.3	P576 I577 T578 A583 K584 I589 T595 D598 V619	P576-K580 WeakPolarHBondContact O-CB 3.49Å; P576-K580 PolarHBondContact O-N 3.03Å; I577-K580 PolarHBondContact O-N 3.47Å; T578-K580 PolarHBondContact O-N 2.91Å; K580-A583 PolarHBondContact O-N 3.14Å; K580-K584 PolarHBondContact O-N 2.75Å; K580-I589 HydrophobicContact CG-CD1 4.4Å; K580-T595 PolarHBondContact NZ-OG1 3.3Å; K580-D598 WeakPolarHBondContact CE-OD1 3.07Å; K580-D598 VanDerWaalsContact CE-OD2 3.25Å; K580-D598 WeakPolarHBondContact CE-OD2 3.26Å; K580-D598 IonicContact NZ-OD1 3.83Å; K580-D598 PolarHBondContact NZ-OD1 3.43Å; K580-D598 IonicContact NZ-OD2 3.89Å; K580-D598 PolarHBondContact NZ-OD2 3.12Å; K580-V619 HydrophobicContact CB-CG2 4.18Å; K580-V619 HydrophobicContact CD-CG2 4.19Å; K580-V619 HydrophobicContact CG-CG2 4.2Å
581	A	88.6	Confident	89.6	Confident	17 Å²	17	29.5 Å²	29.5	14%	0.14	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-46.1	179.1	0	0	0	0	0	111.8	L503 I577 T578 A583 K584 S585	L503-A581 WeakPolarHBondContact O-CB 3.41Å; I577-A581 WeakPolarHBondContact O-CB 3.4Å; I577-A581 PolarHBondContact O-N 2.83Å; T578-A581 PolarHBondContact O-N 2.93Å; A581-A583 VanDerWaalsContact C-N 3.34Å; A581-A583 PolarHBondContact O-N 2.85Å; A581-K584 PolarHBondContact O-N 3.3Å; A581-S585 PolarHBondContact O-N 2.86Å
582	V	90.8	Very high	89.2	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-43.2	175	177.7	0	0	0	0	110.4	K332 T337 M547 M570 T578 A579 K584 S585 V586	K332-V582 HydrophobicContact CD-CB 4.34Å; K332-V582 HydrophobicContact CD-CG1 4.45Å; K332-V582 HydrophobicContact CD-CG2 4.17Å; K332-V582 HydrophobicContact CG-CB 4.25Å; K332-V582 HydrophobicContact CG-CG1 3.88Å; K332-V582 HydrophobicContact CG-CG2 4.48Å; T337-V582 HydrophobicContact CG2-CG1 3.85Å; T337-V582 HydrophobicContact CG2-CG2 4.43Å; M547-V582 HydrophobicContact CE-CG2 4.18Å; M570-V582 HydrophobicContact CE-CB 4.22Å; M570-V582 HydrophobicContact CE-CG1 3.89Å; T578-V582 HydrophobicContact CG2-CG2 4.48Å; T578-V582 WeakPolarHBondContact O-CG2 3.44Å; T578-V582 PolarHBondContact O-N 3.46Å; A579-V582 PolarHBondContact O-N 3.17Å; V582-K584 VanDerWaalsContact C-N 3.31Å; V582-K584 PolarHBondContact O-N 3.34Å; V582-S585 WeakPolarHBondContact CA-OG 3.42Å; V582-S585 PolarHBondContact O-N 3.32Å; V582-S585 PolarHBondContact O-OG 3.41Å; V582-V586 HydrophobicContact CG1-CG1 4.32Å; V582-V586 WeakPolarHBondContact O-CG2 3.5Å; V582-V586 PolarHBondContact O-N 3.23Å
583	A	93.4	Very high	89	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-37.8	178	0	0	0	0	0	113.1	M570 A579 K580 A581 G587 I588 I589 V644	M570-A583 HydrophobicContact CE-CB 3.91Å; M570-A583 HydrophobicContact SD-CB 4.2Å; A579-A583 WeakPolarHBondContact O-CB 3.39Å; A579-A583 PolarHBondContact O-N 2.82Å; K580-A583 PolarHBondContact O-N 3.14Å; A581-A583 VanDerWaalsContact C-N 3.34Å; A581-A583 PolarHBondContact O-N 2.85Å; A583-G587 PolarHBondContact O-N 2.88Å; A583-I588 HydrophobicContact CB-CB 4.19Å; A583-I588 HydrophobicContact CB-CG2 4.37Å; A583-I588 PolarHBondContact O-N 3.24Å; A583-I589 HydrophobicContact CB-CD1 4.08Å; A583-I589 HydrophobicContact CB-CG1 4.11Å; A583-I589 PolarHBondContact O-N 3.49Å; A583-I589 VanDerWaalsContact O-N 3.09Å; A583-V644 HydrophobicContact CB-CG2 3.46Å; A583-V644 VanDerWaalsContact CB-CG2 3.46Å
584	K	91.7	Very high	89.1	Confident	77 Å²	77	41.7 Å²	41.7	34%	0.335	24%	0.238	S	C	.	.	H	α-helix	trans	-66.8	-43	171.4	-73.7	-172.7	178.8	-174.2	0	111.4	K580 A581 V582 V586 G587 I589 D598	K580-K584 PolarHBondContact O-N 2.75Å; A581-K584 PolarHBondContact O-N 3.3Å; V582-K584 VanDerWaalsContact C-N 3.31Å; V582-K584 PolarHBondContact O-N 3.34Å; K584-V586 PolarHBondContact O-N 2.88Å; K584-G587 PolarHBondContact O-N 3.43Å; K584-I589 HydrophobicContact CG-CB 3.92Å; K584-I589 HydrophobicContact CG-CG2 3.86Å; K584-D598 IonicContact NZ-OD2 2.72Å; K584-D598 PolarHBondContact NZ-OD2 2.91Å; K584-D598 VanDerWaalsContact NZ-OD2 3.08Å
585	S	89	Confident	89.3	Confident	58 Å²	58	40.9 Å²	40.9	41%	0.406	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-34.5	-178.7	75.4	0	0	0	0	114.3	P550 A581 V582	P550-S585 VanDerWaalsContact CG-OG 3.22Å; P550-S585 WeakPolarHBondContact CG-OG 3.43Å; A581-S585 PolarHBondContact O-N 2.86Å; V582-S585 WeakPolarHBondContact CA-OG 3.42Å; V582-S585 PolarHBondContact O-N 3.32Å; V582-S585 PolarHBondContact O-OG 3.41Å
586	V	92.6	Very high	89.5	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-90	-7.5	179.2	-59.7	0	0	0	0	113.6	P550 V554 V558 V582 K584 I588	P550-V586 HydrophobicContact CB-CG1 3.73Å; P550-V586 HydrophobicContact CG-CG1 3.79Å; V554-V586 HydrophobicContact CG1-CB 3.91Å; V554-V586 HydrophobicContact CG1-CG1 3.62Å; V558-V586 WeakPolarHBondContact CB-O 3.35Å; V558-V586 WeakPolarHBondContact CG1-O 3.38Å; V582-V586 HydrophobicContact CG1-CG1 4.32Å; V582-V586 WeakPolarHBondContact O-CG2 3.5Å; V582-V586 PolarHBondContact O-N 3.23Å; K584-V586 PolarHBondContact O-N 2.88Å; V586-I588 HydrophobicContact CG2-CB 4.25Å; V586-I588 HydrophobicContact CG2-CD1 3.74Å; V586-I588 HydrophobicContact CG2-CG1 3.74Å
587	G	93.4	Very high	89.3	Confident	26 Å²	26	39.3 Å²	39.3	27%	0.268	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	20.2	-179.9	0	0	0	0	0	115.4	R562 A583 K584	R562-G587 WeakPolarHBondContact CD-O 3.47Å; R562-G587 PolarHBondContact NH1-O 3.24Å; A583-G587 PolarHBondContact O-N 2.88Å; K584-G587 PolarHBondContact O-N 3.43Å
588	I	94.9	Very high	89.3	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	21%	0.213	C	C	.	.	S	Bend	trans	-71.1	-48.3	167.9	-71.7	171.8	0	0	0	109.3	L336 V558 V568 M570 A583 V586 E642 V644	L336-I588 HydrophobicContact CD1-CD1 3.86Å; V558-I588 HydrophobicContact CG1-CG1 4.1Å; V568-I588 HydrophobicContact CB-CG1 4.23Å; V568-I588 HydrophobicContact CG1-CD1 3.86Å; V568-I588 HydrophobicContact CG1-CG1 3.75Å; M570-I588 HydrophobicContact CB-CD1 4.03Å; M570-I588 HydrophobicContact CE-CD1 4.08Å; A583-I588 HydrophobicContact CB-CB 4.19Å; A583-I588 HydrophobicContact CB-CG2 4.37Å; A583-I588 PolarHBondContact O-N 3.24Å; V586-I588 HydrophobicContact CG2-CB 4.25Å; V586-I588 HydrophobicContact CG2-CD1 3.74Å; V586-I588 HydrophobicContact CG2-CG1 3.74Å; I588-E642 WeakPolarHBondContact O-CB 3.36Å; I588-E642 VanDerWaalsContact O-CG 3.3Å; I588-E642 WeakPolarHBondContact O-CG 3.34Å; I588-V644 HydrophobicContact CG2-CG2 4.45Å
589	I	94.1	Very high	89.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-94.7	123.8	165.2	-63.6	175	0	0	0	107	K580 A583 K584 T595 A617 V619 E642 V644	K580-I589 HydrophobicContact CG-CD1 4.4Å; A583-I589 HydrophobicContact CB-CD1 4.08Å; A583-I589 HydrophobicContact CB-CG1 4.11Å; A583-I589 PolarHBondContact O-N 3.49Å; A583-I589 VanDerWaalsContact O-N 3.09Å; K584-I589 HydrophobicContact CG-CB 3.92Å; K584-I589 HydrophobicContact CG-CG2 3.86Å; I589-T595 HydrophobicContact CD1-CG2 4.39Å; I589-A617 HydrophobicContact CG1-CB 4.39Å; I589-A617 HydrophobicContact CG2-CB 4.15Å; I589-V619 HydrophobicContact CD1-CG2 4.37Å; I589-E642 WeakPolarHBondContact CA-OE2 3.44Å; I589-E642 HydrophobicContact CG1-CB 4.43Å; I589-V644 HydrophobicContact CD1-CG2 3.71Å; I589-V644 HydrophobicContact CG1-CG2 4.09Å
590	S	91.9	Very high	89.1	Confident	32 Å²	32	35.6 Å²	35.6	22%	0.224	21%	0.206	C	C	.	.			trans	-68.1	143.8	176.1	-56.3	0	0	0	0	109.9	R562 E592 N593 E642	R562-S590 PolarHBondContact NH1-OG 2.89Å; R562-S590 PolarHBondContact NH2-OG 3.17Å; S590-E592 PolarHBondContact O-N 2.87Å; S590-N593 PolarHBondContact O-N 3.21Å; S590-E642 WeakPolarHBondContact CB-OE1 3.4Å; S590-E642 PolarHBondContact N-OE1 3.16Å; S590-E642 PolarHBondContact N-OE2 3.02Å; S590-E642 PolarHBondContact OG-OE1 2.81Å
591	A	84.3	Confident	88.7	Confident	97 Å²	97	41.2 Å²	41.2	80%	0.802	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.1	-178.7	0	0	0	0	0	113.7
592	E	85.6	Confident	88.5	Confident	182 Å²	182	47.5 Å²	47.5	85%	0.85	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-17.7	-179.1	-57	177	-164.5	0	0	114.1	S590	S590-E592 PolarHBondContact O-N 2.87Å
593	N	88.5	Confident	88.3	Confident	28 Å²	28	51.9 Å²	51.9	15%	0.15	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-90.8	130.8	-174.7	-70.6	-30.7	0	0	0	110.9	S590 A617 E642	S590-N593 PolarHBondContact O-N 3.21Å; N593-A617 HydrophobicContact CB-CB 4.28Å; N593-E642 PolarHBondContact ND2-OE1 3.02Å; N593-E642 PolarHBondContact ND2-OE2 2.71Å
594	E	85.6	Confident	88	Confident	69 Å²	69	55.2 Å²	55.2	32%	0.322	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-93.4	145	174	-63.7	-175	129.5	0	0	110.3	D598 V599 R602	E594-D598 HydrophobicContact CB-CB 3.85Å; E594-D598 HydrophobicContact CG-CB 4.25Å; E594-V599 HydrophobicContact CB-CG2 3.77Å; E594-R602 WeakPolarHBondContact OE1-CD 3.47Å; E594-R602 IonicContact OE1-CZ 3.41Å; E594-R602 IonicContact OE1-NE 3.22Å; E594-R602 PolarHBondContact OE1-NE 3Å; E594-R602 IonicContact OE1-NH2 2.79Å; E594-R602 IonicContact OE2-CZ 2.87Å; E594-R602 IonicContact OE2-NE 3.82Å; E594-R602 PolarHBondContact OE2-NE 2.85Å; E594-R602 IonicContact OE2-NH2 3.39Å; E594-R602 PolarHBondContact OE2-NH2 2.94Å
595	T	87.8	Confident	87.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-85.9	163.1	166	74.5	0	0	0	0	110.2	K580 I589 E597 D598 V599 A617 V619	K580-T595 PolarHBondContact NZ-OG1 3.3Å; I589-T595 HydrophobicContact CD1-CG2 4.39Å; T595-E597 WeakPolarHBondContact CB-OE2 3.34Å; T595-E597 PolarHBondContact O-N 3.05Å; T595-E597 VanDerWaalsContact O-N 3.13Å; T595-E597 PolarHBondContact OG1-OE2 2.73Å; T595-D598 PolarHBondContact N-OD2 3.1Å; T595-D598 WeakPolarHBondContact O-CA 3.2Å; T595-D598 WeakPolarHBondContact O-CB 3.29Å; T595-D598 PolarHBondContact O-N 3.23Å; T595-D598 PolarHBondContact OG1-N 2.82Å; T595-V599 PolarHBondContact O-N 2.81Å; T595-A617 HydrophobicContact CG2-CB 4.17Å; T595-V619 HydrophobicContact CG2-CG2 4.03Å
596	P	85.4	Confident	87.7	Confident	15 Å²	15	54.6 Å²	54.6	10%	0.097	31%	0.31	C	S	.	.	H	α-helix	trans	-51.1	-36.4	173.7	-28.3	35.8	0	0	0	113.3	V599 A600 V607 V610 C615 A617	P596-V599 PolarHBondContact O-N 3.24Å; P596-A600 VanDerWaalsContact O-CB 3.3Å; P596-A600 WeakPolarHBondContact O-CB 3.48Å; P596-A600 PolarHBondContact O-N 2.8Å; P596-V607 HydrophobicContact CB-CG1 4.13Å; P596-V610 HydrophobicContact CB-CG1 4.29Å; P596-C615 HydrophobicContact CG-CB 4.12Å; P596-A617 WeakPolarHBondContact CD-O 3.47Å
597	E	84.6	Confident	87.2	Confident	64 Å²	64	57.4 Å²	57.4	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-69.6	-34.9	175.9	-53.4	77.6	-170.1	0	0	113.1	T595 M601 V607	T595-E597 WeakPolarHBondContact CB-OE2 3.34Å; T595-E597 PolarHBondContact O-N 3.05Å; T595-E597 VanDerWaalsContact O-N 3.13Å; T595-E597 PolarHBondContact OG1-OE2 2.73Å; E597-M601 VanDerWaalsContact O-CB 3.32Å; E597-M601 WeakPolarHBondContact O-CB 3.48Å; E597-M601 PolarHBondContact O-N 3.33Å; E597-V607 HydrophobicContact CG-CG1 4.44Å; E597-V607 HydrophobicContact CG-CG2 4.46Å
598	D	85.2	Confident	86.7	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.171	35%	0.352	C	S	.	.	H	α-helix	trans	-65.7	-44.1	174.6	-74.2	-27.8	0	0	0	110.3	K580 K584 E594 T595 M601 R602	K580-D598 WeakPolarHBondContact CE-OD1 3.07Å; K580-D598 VanDerWaalsContact CE-OD2 3.25Å; K580-D598 WeakPolarHBondContact CE-OD2 3.26Å; K580-D598 IonicContact NZ-OD1 3.83Å; K580-D598 PolarHBondContact NZ-OD1 3.43Å; K580-D598 IonicContact NZ-OD2 3.89Å; K580-D598 PolarHBondContact NZ-OD2 3.12Å; K584-D598 IonicContact NZ-OD2 2.72Å; K584-D598 PolarHBondContact NZ-OD2 2.91Å; K584-D598 VanDerWaalsContact NZ-OD2 3.08Å; E594-D598 HydrophobicContact CB-CB 3.85Å; E594-D598 HydrophobicContact CG-CB 4.25Å; T595-D598 PolarHBondContact N-OD2 3.1Å; T595-D598 WeakPolarHBondContact O-CA 3.2Å; T595-D598 WeakPolarHBondContact O-CB 3.29Å; T595-D598 PolarHBondContact O-N 3.23Å; T595-D598 PolarHBondContact OG1-N 2.82Å; D598-M601 PolarHBondContact O-N 3.11Å; D598-R602 WeakPolarHBondContact O-CB 3.45Å; D598-R602 PolarHBondContact O-N 3.24Å
599	V	85.2	Confident	86.2	Confident	8 Å²	8	70.5 Å²	70.5	5%	0.048	38%	0.382	C	S	.	.	H	α-helix	trans	-64.8	-44.7	178.1	178.6	0	0	0	0	110.9	E594 T595 P596 M601 R602 L603 V610	E594-V599 HydrophobicContact CB-CG2 3.77Å; T595-V599 PolarHBondContact O-N 2.81Å; P596-V599 PolarHBondContact O-N 3.24Å; V599-M601 PolarHBondContact O-N 2.88Å; V599-R602 PolarHBondContact O-N 2.94Å; V599-L603 HydrophobicContact CG1-CD1 3.67Å; V599-L603 HydrophobicContact CG1-CG 4.28Å; V599-L603 WeakPolarHBondContact O-CB 3.31Å; V599-L603 WeakPolarHBondContact O-CG 3.47Å; V599-L603 PolarHBondContact O-N 3.2Å; V599-V610 HydrophobicContact CB-CG1 3.96Å; V599-V610 HydrophobicContact CB-CG2 4.42Å; V599-V610 HydrophobicContact CG1-CG1 3.85Å; V599-V610 HydrophobicContact CG1-CG2 4.27Å
600	A	85.9	Confident	85.6	Confident	5 Å²	5	71.4 Å²	71.4	4%	0.041	39%	0.387	C	S	.	.	H	α-helix	trans	-57.8	-48.1	175.7	0	0	0	0	0	111.7	P596 R602 L603 G604 I605 V607 V610	P596-A600 VanDerWaalsContact O-CB 3.3Å; P596-A600 WeakPolarHBondContact O-CB 3.48Å; P596-A600 PolarHBondContact O-N 2.8Å; A600-R602 PolarHBondContact O-N 3.33Å; A600-L603 PolarHBondContact O-N 3.34Å; A600-G604 WeakPolarHBondContact O-CA 3.36Å; A600-G604 PolarHBondContact O-N 3.11Å; A600-I605 WeakPolarHBondContact CB-O 3.41Å; A600-I605 PolarHBondContact O-N 3.29Å; A600-I605 VanDerWaalsContact O-N 3.14Å; A600-V607 HydrophobicContact CB-CB 4.31Å; A600-V607 HydrophobicContact CB-CG2 3.74Å; A600-V610 HydrophobicContact CB-CG2 3.87Å
601	M	83.2	Confident	85	Confident	152 Å²	152	73.4 Å²	73.4	75%	0.749	40%	0.395	S	S	*	.	H	α-helix	trans	-63.9	-41.8	178.6	-173.1	-179.2	-64.8	0	0	112.1	E597 D598 V599	E597-M601 VanDerWaalsContact O-CB 3.32Å; E597-M601 WeakPolarHBondContact O-CB 3.48Å; E597-M601 PolarHBondContact O-N 3.33Å; D598-M601 PolarHBondContact O-N 3.11Å; V599-M601 PolarHBondContact O-N 2.88Å
602	R	85.7	Confident	84.5	Confident	148 Å²	148	69.7 Å²	69.7	56%	0.558	37%	0.367	S	S	*	.	H	α-helix	trans	-66.8	-39.9	178.7	179.1	170.7	60.9	80.4	-1.8	112.7	E594 D598 V599 A600	E594-R602 WeakPolarHBondContact OE1-CD 3.47Å; E594-R602 IonicContact OE1-CZ 3.41Å; E594-R602 IonicContact OE1-NE 3.22Å; E594-R602 PolarHBondContact OE1-NE 3Å; E594-R602 IonicContact OE1-NH2 2.79Å; E594-R602 IonicContact OE2-CZ 2.87Å; E594-R602 IonicContact OE2-NE 3.82Å; E594-R602 PolarHBondContact OE2-NE 2.85Å; E594-R602 IonicContact OE2-NH2 3.39Å; E594-R602 PolarHBondContact OE2-NH2 2.94Å; D598-R602 WeakPolarHBondContact O-CB 3.45Å; D598-R602 PolarHBondContact O-N 3.24Å; V599-R602 PolarHBondContact O-N 2.94Å; A600-R602 PolarHBondContact O-N 3.33Å
603	L	87.2	Confident	84.1	Confident	94 Å²	94	65.6 Å²	65.6	49%	0.492	36%	0.355	S	S	.	.	H	α-helix	trans	-87.4	-14.1	-178.6	-65.4	179	0	0	0	113.2	V599 A600 I605	V599-L603 HydrophobicContact CG1-CD1 3.67Å; V599-L603 HydrophobicContact CG1-CG 4.28Å; V599-L603 WeakPolarHBondContact O-CB 3.31Å; V599-L603 WeakPolarHBondContact O-CG 3.47Å; V599-L603 PolarHBondContact O-N 3.2Å; A600-L603 PolarHBondContact O-N 3.34Å; L603-I605 VanDerWaalsContact C-N 3.31Å; L603-I605 HydrophobicContact CB-CD1 4.16Å; L603-I605 HydrophobicContact CB-CG1 3.98Å; L603-I605 HydrophobicContact CB-CG2 4.28Å; L603-I605 HydrophobicContact CD1-CD1 3.91Å
604	G	85.4	Confident	83.6	Confident	70 Å²	70	71 Å²	71	72%	0.722	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	28.3	-175.3	0	0	0	0	0	113.5	A600	A600-G604 WeakPolarHBondContact O-CA 3.36Å; A600-G604 PolarHBondContact O-N 3.11Å
605	I	88.9	Confident	83.5	Confident	56 Å²	56	68 Å²	68	29%	0.287	37%	0.365	S	S	.	.			trans	-109.3	157.6	179.4	65.1	179.2	0	0	0	111	A600 L603 E609 V610	A600-I605 WeakPolarHBondContact CB-O 3.41Å; A600-I605 PolarHBondContact O-N 3.29Å; A600-I605 VanDerWaalsContact O-N 3.14Å; L603-I605 VanDerWaalsContact C-N 3.31Å; L603-I605 HydrophobicContact CB-CD1 4.16Å; L603-I605 HydrophobicContact CB-CG1 3.98Å; L603-I605 HydrophobicContact CB-CG2 4.28Å; L603-I605 HydrophobicContact CD1-CD1 3.91Å; I605-E609 HydrophobicContact CD1-CB 4.26Å; I605-V610 HydrophobicContact CD1-CG2 4.05Å; I605-V610 HydrophobicContact CG1-CG2 4.27Å
606	P	86.3	Confident	83.6	Confident	65 Å²	65	73.9 Å²	73.9	42%	0.422	39%	0.391	S	S	.	.			trans	-58.3	147.9	169.9	-20.7	32.9	0	0	0	111.9	E608 E609	P606-E608 VanDerWaalsContact CB-OE2 3.24Å; P606-E608 WeakPolarHBondContact CB-OE2 3.46Å; P606-E608 PolarHBondContact O-N 2.99Å; P606-E609 HydrophobicContact CB-CG 4.49Å; P606-E609 HydrophobicContact CG-CG 4.5Å; P606-E609 PolarHBondContact O-N 3.2Å; P606-E609 VanDerWaalsContact O-N 3.13Å
607	V	82.7	Confident	83.9	Confident	61 Å²	61	73.1 Å²	73.1	37%	0.37	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-62.5	-29.8	-177.6	-176.3	0	0	0	0	111.3	P596 E597 A600 E609 V610	P596-V607 HydrophobicContact CB-CG1 4.13Å; E597-V607 HydrophobicContact CG-CG1 4.44Å; E597-V607 HydrophobicContact CG-CG2 4.46Å; A600-V607 HydrophobicContact CB-CB 4.31Å; A600-V607 HydrophobicContact CB-CG2 3.74Å; V607-E609 VanDerWaalsContact C-N 3.25Å; V607-E609 PolarHBondContact O-N 2.86Å; V607-V610 WeakPolarHBondContact O-CB 3.4Å; V607-V610 PolarHBondContact O-N 3.35Å
608	E	82.9	Confident	84.4	Confident	167 Å²	167	70.4 Å²	70.4	78%	0.78	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-68.2	-22	179.7	-56.4	80.1	-172.2	0	0	113.4	P606 V610	P606-E608 VanDerWaalsContact CB-OE2 3.24Å; P606-E608 WeakPolarHBondContact CB-OE2 3.46Å; P606-E608 PolarHBondContact O-N 2.99Å; E608-V610 VanDerWaalsContact C-N 3.32Å
609	E	83.7	Confident	84.7	Confident	135 Å²	135	69.6 Å²	69.6	63%	0.631	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-86.3	-6.1	177.5	-65.4	-175.5	-169.5	0	0	112.6	I605 P606 V607 D611	I605-E609 HydrophobicContact CD1-CB 4.26Å; P606-E609 HydrophobicContact CB-CG 4.49Å; P606-E609 HydrophobicContact CG-CG 4.5Å; P606-E609 PolarHBondContact O-N 3.2Å; P606-E609 VanDerWaalsContact O-N 3.13Å; V607-E609 VanDerWaalsContact C-N 3.25Å; V607-E609 PolarHBondContact O-N 2.86Å; E609-D611 PolarHBondContact O-N 3.34Å
610	V	82.2	Confident	85.1	Confident	19 Å²	19	69.6 Å²	69.6	12%	0.115	37%	0.37	C	S	.	.	S	Bend	trans	-77.4	123.2	179.2	-178.4	0	0	0	0	110	P596 V599 A600 I605 V607 E608 G612	P596-V610 HydrophobicContact CB-CG1 4.29Å; V599-V610 HydrophobicContact CB-CG1 3.96Å; V599-V610 HydrophobicContact CB-CG2 4.42Å; V599-V610 HydrophobicContact CG1-CG1 3.85Å; V599-V610 HydrophobicContact CG1-CG2 4.27Å; A600-V610 HydrophobicContact CB-CG2 3.87Å; I605-V610 HydrophobicContact CD1-CG2 4.05Å; I605-V610 HydrophobicContact CG1-CG2 4.27Å; V607-V610 WeakPolarHBondContact O-CB 3.4Å; V607-V610 PolarHBondContact O-N 3.35Å; E608-V610 VanDerWaalsContact C-N 3.32Å; V610-G612 PolarHBondContact O-N 3.13Å
611	D	79.8	Confident	85.4	Confident	74 Å²	74	72.6 Å²	72.6	40%	0.396	38%	0.383	S	S	.	.			trans	-67.1	102	170.9	178.4	6.7	0	0	0	110.2	E609 T613 Q614	E609-D611 PolarHBondContact O-N 3.34Å; D611-T613 PolarHBondContact O-N 3.14Å; D611-T613 WeakPolarHBondContact OD1-CB 3.45Å; D611-T613 PolarHBondContact OD1-N 3.15Å; D611-T613 VanDerWaalsContact OD1-N 3.1Å; D611-T613 PolarHBondContact OD1-OG1 2.81Å; D611-T613 PolarHBondContact OD2-OG1 3.47Å; D611-T613 VanDerWaalsContact OD2-OG1 3.06Å; D611-Q614 HydrophobicContact CB-CG 4.2Å; D611-Q614 WeakPolarHBondContact O-CB 3.28Å; D611-Q614 PolarHBondContact O-N 2.94Å; D611-Q614 PolarHBondContact OD2-NE2 2.68Å
612	G	73.6	Confident	85.5	Confident	20 Å²	20	65.6 Å²	65.6	21%	0.206	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-56.8	-21.5	-178.8	0	0	0	0	0	114.2	V610 Q614 C615	V610-G612 PolarHBondContact O-N 3.13Å; G612-Q614 PolarHBondContact O-N 3.49Å; G612-C615 PolarHBondContact O-N 2.74Å; G612-C615 VanDerWaalsContact O-N 3.12Å
613	T	75.8	Confident	85.6	Confident	96 Å²	96	60.1 Å²	60.1	59%	0.589	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-69.2	-18.6	177.9	69.1	0	0	0	0	113.5	D611 C615	D611-T613 PolarHBondContact O-N 3.14Å; D611-T613 WeakPolarHBondContact OD1-CB 3.45Å; D611-T613 PolarHBondContact OD1-N 3.15Å; D611-T613 VanDerWaalsContact OD1-N 3.1Å; D611-T613 PolarHBondContact OD1-OG1 2.81Å; D611-T613 PolarHBondContact OD2-OG1 3.47Å; D611-T613 VanDerWaalsContact OD2-OG1 3.06Å; T613-C615 VanDerWaalsContact C-N 3.32Å
614	Q	78.5	Confident	85.6	Confident	140 Å²	140	60.2 Å²	60.2	65%	0.654	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-80.2	-18.3	175.4	-58.4	-176.4	19	0	0	112	D611 G612	D611-Q614 HydrophobicContact CB-CG 4.2Å; D611-Q614 WeakPolarHBondContact O-CB 3.28Å; D611-Q614 PolarHBondContact O-N 2.94Å; D611-Q614 PolarHBondContact OD2-NE2 2.68Å; G612-Q614 PolarHBondContact O-N 3.49Å
615	C	84.4	Confident	85.8	Confident	6 Å²	6	57 Å²	57	4%	0.041	30%	0.304	C	S	.	.			trans	-97.1	126.4	-176.1	-62.5	0	0	0	0	110.7	P596 G612 T613 Y640	P596-C615 HydrophobicContact CG-CB 4.12Å; G612-C615 PolarHBondContact O-N 2.74Å; G612-C615 VanDerWaalsContact O-N 3.12Å; T613-C615 VanDerWaalsContact C-N 3.32Å; C615-Y640 HydrophobicContact CB-CE1 4.14Å; C615-Y640 WeakPolarHBondContact O-CD1 3.25Å; C615-Y640 WeakPolarHBondContact O-CE1 3.5Å
616	K	88.8	Confident	85.6	Confident	124 Å²	124	61.5 Å²	61.5	54%	0.539	32%	0.317	S	S	.	.	S	Bend	trans	-90	-17.4	172.9	-67.5	177.8	-173.7	162.7	0	113	K641 E642	K616-K641 PolarHBondContact O-N 3.3Å; K616-K641 VanDerWaalsContact O-N 3.15Å; K616-E642 PolarHBondContact O-N 3.38Å
617	A	93	Very high	85.7	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.9	-177.2	0	0	0	0	0	111	I589 N593 T595 P596 E642	I589-A617 HydrophobicContact CG1-CB 4.39Å; I589-A617 HydrophobicContact CG2-CB 4.15Å; N593-A617 HydrophobicContact CB-CB 4.28Å; T595-A617 HydrophobicContact CG2-CB 4.17Å; P596-A617 WeakPolarHBondContact CD-O 3.47Å; A617-E642 CarbonylContact C-O 3.59Å; A617-E642 WeakPolarHBondContact CA-O 3.25Å; A617-E642 HydrophobicContact CB-CB 3.92Å
618	C	93.2	Very high	86.1	Confident	7 Å²	7	66.4 Å²	66.4	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.1	171.3	69.1	0	0	0	0	112	Y640 E642 V644	C618-Y640 HydrophobicContact CB-CD1 3.89Å; C618-Y640 HydrophobicContact CB-CD2 4Å; C618-Y640 HydrophobicContact CB-CE1 3.98Å; C618-Y640 HydrophobicContact CB-CE2 4.08Å; C618-Y640 HydrophobicContact CB-CG 3.89Å; C618-Y640 VanDerWaalsContact SG-CD2 3.56Å; C618-Y640 VanDerWaalsContact SG-CG 3.56Å; C618-E642 PolarHBondContact N-O 3.19Å; C618-V644 PolarHBondContact O-N 3.1Å
619	V	93.3	Very high	86.5	Confident	14 Å²	14	60.7 Å²	60.7	9%	0.085	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.9	172.1	177.9	0	0	0	0	107.4	P576 K580 I589 T595 V644	P576-V619 HydrophobicContact CB-CG1 4.11Å; K580-V619 HydrophobicContact CB-CG2 4.18Å; K580-V619 HydrophobicContact CD-CG2 4.19Å; K580-V619 HydrophobicContact CG-CG2 4.2Å; I589-V619 HydrophobicContact CD1-CG2 4.37Å; T595-V619 HydrophobicContact CG2-CG2 4.03Å; V619-V644 CarbonylContact C-O 3.59Å; V619-V644 VanDerWaalsContact CA-O 3.32Å; V619-V644 WeakPolarHBondContact CA-O 3.35Å; V619-V644 HydrophobicContact CG2-CB 4.16Å
620	V	93.4	Very high	86.8	Confident	8 Å²	8	59.5 Å²	59.5	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124	-177.5	-177.7	0	0	0	0	109.1	Q624 L625 M628 V636 V644 F645 A646	V620-Q624 HydrophobicContact CG1-CB 4.43Å; V620-L625 HydrophobicContact CG1-CB 4.34Å; V620-M628 HydrophobicContact CG1-CE 4.21Å; V620-M628 HydrophobicContact CG1-SD 4.22Å; V620-V636 HydrophobicContact CG2-CG1 4.2Å; V620-V644 PolarHBondContact N-O 3.35Å; V620-F645 HydrophobicContact CB-CD1 3.68Å; V620-F645 HydrophobicContact CB-CE1 3.87Å; V620-F645 HydrophobicContact CG1-CD1 4.04Å; V620-F645 HydrophobicContact CG1-CE1 4.1Å; V620-F645 HydrophobicContact CG2-CD1 4.32Å; V620-F645 HydrophobicContact CG2-CE1 4.05Å; V620-F645 WeakPolarHBondContact O-CA 3.38Å; V620-A646 PolarHBondContact O-N 2.99Å
621	H	91.2	Very high	87.3	Confident	69 Å²	69	65.1 Å²	65.1	32%	0.319	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	142.1	177.4	-175.4	-106.8	0	0	0	111	G623 Q624 L625 A646 R647	H621-G623 PolarHBondContact ND1-N 2.92Å; H621-G623 VanDerWaalsContact ND1-N 3.1Å; H621-G623 PolarHBondContact O-N 3.36Å; H621-G623 VanDerWaalsContact O-N 3.08Å; H621-Q624 HydrophobicContact CB-CG 4.33Å; H621-Q624 VanDerWaalsContact N-OE1 3.08Å; H621-Q624 WeakPolarHBondContact O-CA 3.11Å; H621-Q624 WeakPolarHBondContact O-CB 3.39Å; H621-Q624 PolarHBondContact O-N 3.43Å; H621-L625 PolarHBondContact O-N 2.6Å; H621-A646 CarbonylContact C-O 3.48Å; H621-R647 WeakPolarHBondContact NE2-CB 3.44Å
622	G	86.8	Confident	87.9	Confident	5 Å²	5	66.4 Å²	66.4	5%	0.052	33%	0.331	C	S	.	.	H	α-helix	trans	-56.3	-27.6	178.5	0	0	0	0	0	114.3	R626 A646 Q652	G622-R626 PolarHBondContact O-N 3.06Å; G622-A646 PolarHBondContact N-O 3.21Å; G622-Q652 PolarHBondContact O-NE2 2.65Å
623	G	86	Confident	88.9	Confident	33 Å²	33	65.6 Å²	65.6	34%	0.34	32%	0.322	S	S	.	.	H	α-helix	trans	-65.2	-42.8	170.7	0	0	0	0	0	113.3	H621 R626	H621-G623 PolarHBondContact ND1-N 2.92Å; H621-G623 VanDerWaalsContact ND1-N 3.1Å; H621-G623 PolarHBondContact O-N 3.36Å; H621-G623 VanDerWaalsContact O-N 3.08Å; G623-R626 WeakPolarHBondContact O-CB 3.37Å; G623-R626 PolarHBondContact O-N 2.84Å
624	Q	88.4	Confident	89.7	Confident	95 Å²	95	62.6 Å²	62.6	44%	0.444	30%	0.302	S	S	.	.	H	α-helix	trans	-68.5	-42.9	175.9	-65.1	167.2	-29	0	0	110.7	V620 H621 R626 E627 M628	V620-Q624 HydrophobicContact CG1-CB 4.43Å; H621-Q624 HydrophobicContact CB-CG 4.33Å; H621-Q624 VanDerWaalsContact N-OE1 3.08Å; H621-Q624 WeakPolarHBondContact O-CA 3.11Å; H621-Q624 WeakPolarHBondContact O-CB 3.39Å; H621-Q624 PolarHBondContact O-N 3.43Å; Q624-R626 PolarHBondContact O-N 2.83Å; Q624-R626 VanDerWaalsContact O-N 3.14Å; Q624-E627 PolarHBondContact O-N 3.35Å; Q624-M628 WeakPolarHBondContact O-CG 3.48Å; Q624-M628 PolarHBondContact O-N 2.78Å; Q624-M628 VanDerWaalsContact O-N 3.07Å
625	L	89.9	Confident	90.3	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-27.6	177.9	-173.4	63.7	0	0	0	112.7	V620 H621 E627 M628 L633 F645 T648 Q652 I656	V620-L625 HydrophobicContact CG1-CB 4.34Å; H621-L625 PolarHBondContact O-N 2.6Å; L625-E627 VanDerWaalsContact C-N 3.35Å; L625-M628 HydrophobicContact CD1-SD 4.28Å; L625-L633 HydrophobicContact CD1-CD1 3.55Å; L625-L633 HydrophobicContact CD1-CD2 3.95Å; L625-L633 HydrophobicContact CD1-CG 4.27Å; L625-F645 HydrophobicContact CD1-CD1 4.5Å; L625-F645 HydrophobicContact CD1-CE1 4.2Å; L625-F645 HydrophobicContact CD2-CD1 4.28Å; L625-T648 HydrophobicContact CD2-CG2 4.43Å; L625-Q652 HydrophobicContact CD2-CB 3.79Å; L625-Q652 HydrophobicContact CD2-CG 4.01Å; L625-I656 HydrophobicContact CD2-CD1 3.81Å; L625-I656 HydrophobicContact CD2-CG1 4.02Å
626	R	84.9	Confident	90.7	Very high	150 Å²	150	62.9 Å²	62.9	57%	0.566	30%	0.299	S	S	*	.	H	α-helix	trans	-70.2	-31.6	175.4	-174.4	-176.6	174	174.3	-0.9	112.5	M1 G622 G623 Q624	M1-R626 HydrophobicContact CE-CG 3.77Å; M1-R626 WeakPolarHBondContact CE-O 3.42Å; M1-R626 HydrophobicContact SD-CG 3.54Å; M1-R626 VanDerWaalsContact SD-CG 3.54Å; G622-R626 PolarHBondContact O-N 3.06Å; G623-R626 WeakPolarHBondContact O-CB 3.37Å; G623-R626 PolarHBondContact O-N 2.84Å; Q624-R626 PolarHBondContact O-N 2.83Å; Q624-R626 VanDerWaalsContact O-N 3.14Å
627	E	88.1	Confident	90.8	Very high	174 Å²	174	57.2 Å²	57.2	81%	0.813	28%	0.275	S	S	*	.	H	α-helix	trans	-89.6	-20.3	-178.6	-64.8	176.9	-179.8	0	0	112	Q624 L625	Q624-E627 PolarHBondContact O-N 3.35Å; L625-E627 VanDerWaalsContact C-N 3.35Å
628	M	89.8	Confident	90.7	Very high	55 Å²	55	60 Å²	60	27%	0.271	30%	0.304	S	S	.	.			trans	-65.2	136.3	177.3	-74.4	174.6	168.9	0	0	112.8	V620 Q624 L625 E632 V636	V620-M628 HydrophobicContact CG1-CE 4.21Å; V620-M628 HydrophobicContact CG1-SD 4.22Å; Q624-M628 WeakPolarHBondContact O-CG 3.48Å; Q624-M628 PolarHBondContact O-N 2.78Å; Q624-M628 VanDerWaalsContact O-N 3.07Å; L625-M628 HydrophobicContact CD1-SD 4.28Å; M628-E632 WeakPolarHBondContact CA-OE2 3.19Å; M628-E632 HydrophobicContact CB-CB 4.4Å; M628-E632 HydrophobicContact CG-CB 4.47Å; M628-V636 HydrophobicContact CE-CG2 4.35Å
629	S	92.1	Very high	90.4	Very high	47 Å²	47	63 Å²	63	33%	0.329	32%	0.317	S	S	.	.			trans	-69.4	165.7	163.3	62.8	0	0	0	0	111.6	E631 E632 L633	S629-E631 VanDerWaalsContact C-N 3.27Å; S629-E631 PolarHBondContact O-N 3.27Å; S629-E632 PolarHBondContact N-OE2 2.9Å; S629-E632 PolarHBondContact O-N 3.38Å; S629-E632 WeakPolarHBondContact OG-CB 3.28Å; S629-E632 WeakPolarHBondContact OG-CG 3.44Å; S629-E632 PolarHBondContact OG-N 3.17Å; S629-E632 PolarHBondContact OG-OE2 3.28Å; S629-L633 PolarHBondContact O-N 3.46Å
630	K	90.8	Very high	90.3	Very high	110 Å²	110	63.9 Å²	63.9	48%	0.478	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-37.1	178	-68.9	-171.3	178.1	-169.7	0	111.2	L633 D634	K630-L633 PolarHBondContact O-N 3.08Å; K630-D634 WeakPolarHBondContact O-CB 3.24Å; K630-D634 PolarHBondContact O-N 2.72Å
631	E	92.4	Very high	90.2	Very high	138 Å²	138	71 Å²	71	65%	0.645	35%	0.349	S	S	*	.	H	α-helix	trans	-68.3	-38.5	-179.4	-63.4	71	-157	0	0	111.9	S629 D634 Y635	S629-E631 VanDerWaalsContact C-N 3.27Å; S629-E631 PolarHBondContact O-N 3.27Å; E631-D634 PolarHBondContact O-N 3.4Å; E631-Y635 WeakPolarHBondContact O-CB 3.42Å; E631-Y635 PolarHBondContact O-N 3.24Å
632	E	92.2	Very high	90.4	Very high	101 Å²	101	68 Å²	68	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-66	-42.3	174.2	-74.7	164	156.2	0	0	111.6	M628 S629 Y635 V636	M628-E632 WeakPolarHBondContact CA-OE2 3.19Å; M628-E632 HydrophobicContact CB-CB 4.4Å; M628-E632 HydrophobicContact CG-CB 4.47Å; S629-E632 PolarHBondContact N-OE2 2.9Å; S629-E632 PolarHBondContact O-N 3.38Å; S629-E632 WeakPolarHBondContact OG-CB 3.28Å; S629-E632 WeakPolarHBondContact OG-CG 3.44Å; S629-E632 PolarHBondContact OG-N 3.17Å; S629-E632 PolarHBondContact OG-OE2 3.28Å; E632-Y635 WeakPolarHBondContact O-CB 3.44Å; E632-Y635 PolarHBondContact O-N 3.43Å; E632-V636 WeakPolarHBondContact O-CG2 3.4Å; E632-V636 PolarHBondContact O-N 2.77Å
633	L	93.3	Very high	90.8	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-42.7	175.1	-177.7	58.1	0	0	0	111.5	L625 S629 K630 Y635 V636 I637 F645 L655	L625-L633 HydrophobicContact CD1-CD1 3.55Å; L625-L633 HydrophobicContact CD1-CD2 3.95Å; L625-L633 HydrophobicContact CD1-CG 4.27Å; S629-L633 PolarHBondContact O-N 3.46Å; K630-L633 PolarHBondContact O-N 3.08Å; L633-Y635 VanDerWaalsContact C-N 3.27Å; L633-Y635 PolarHBondContact O-N 3.17Å; L633-V636 PolarHBondContact O-N 3.32Å; L633-I637 HydrophobicContact CD1-CD1 4.24Å; L633-I637 HydrophobicContact CD1-CG1 4.39Å; L633-I637 HydrophobicContact CG-CD1 4.26Å; L633-I637 WeakPolarHBondContact O-CG1 3.45Å; L633-I637 PolarHBondContact O-N 3.27Å; L633-F645 HydrophobicContact CD1-CE1 3.76Å; L633-F645 HydrophobicContact CD1-CZ 3.76Å; L633-L655 HydrophobicContact CD2-CD2 4.11Å; L633-L655 HydrophobicContact CD2-CG 3.87Å
634	D	93.1	Very high	91.3	Very high	33 Å²	33	66.2 Å²	66.2	18%	0.176	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-38	176.4	-68.4	-4.6	0	0	0	110.8	K630 E631 G638 S659 R662 N663	K630-D634 WeakPolarHBondContact O-CB 3.24Å; K630-D634 PolarHBondContact O-N 2.72Å; E631-D634 PolarHBondContact O-N 3.4Å; D634-G638 PolarHBondContact O-N 3.49Å; D634-S659 WeakPolarHBondContact OD1-CA 3.24Å; D634-S659 VanDerWaalsContact OD1-CB 3.27Å; D634-S659 WeakPolarHBondContact OD1-CB 3.33Å; D634-S659 PolarHBondContact OD1-OG 3.14Å; D634-R662 IonicContact OD1-CZ 2.63Å; D634-R662 IonicContact OD1-NE 3.9Å; D634-R662 PolarHBondContact OD1-NE 2.82Å; D634-R662 IonicContact OD1-NH2 2.67Å; D634-R662 PolarHBondContact OD1-NH2 3.05Å; D634-R662 IonicContact OD2-CZ 2.8Å; D634-R662 IonicContact OD2-NE 3.44Å; D634-R662 PolarHBondContact OD2-NE 3.28Å; D634-R662 IonicContact OD2-NH2 3.68Å; D634-N663 PolarHBondContact O-ND2 3.41Å
635	Y	91.5	Very high	91.6	Very high	139 Å²	139	61.7 Å²	61.7	55%	0.545	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-46.9	172.7	177.8	-95	0	0	0	112.3	E631 E632 L633 I637 G638 H639	E631-Y635 WeakPolarHBondContact O-CB 3.42Å; E631-Y635 PolarHBondContact O-N 3.24Å; E632-Y635 WeakPolarHBondContact O-CB 3.44Å; E632-Y635 PolarHBondContact O-N 3.43Å; L633-Y635 VanDerWaalsContact C-N 3.27Å; L633-Y635 PolarHBondContact O-N 3.17Å; Y635-I637 VanDerWaalsContact C-N 3.31Å; Y635-I637 PolarHBondContact O-N 3.46Å; Y635-G638 PolarHBondContact O-N 3.39Å; Y635-H639 HydrophobicContact CE1-CB 4.17Å; Y635-H639 AromaticContact CZ-ND1 3.98Å; Y635-H639 WeakPolarHBondContact O-CB 3.31Å; Y635-H639 PolarHBondContact O-N 3.31Å
636	V	91.9	Very high	91.7	Very high	14 Å²	14	61.6 Å²	61.6	9%	0.085	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-46	177.5	170	0	0	0	0	110.7	V620 M628 E632 L633 G638 Y640 I643	V620-V636 HydrophobicContact CG2-CG1 4.2Å; M628-V636 HydrophobicContact CE-CG2 4.35Å; E632-V636 WeakPolarHBondContact O-CG2 3.4Å; E632-V636 PolarHBondContact O-N 2.77Å; L633-V636 PolarHBondContact O-N 3.32Å; V636-G638 PolarHBondContact O-N 2.87Å; V636-Y640 HydrophobicContact CG1-CD2 4.1Å; V636-Y640 PolarHBondContact O-N 3.01Å; V636-Y640 VanDerWaalsContact O-N 3.14Å; V636-I643 HydrophobicContact CG1-CD1 4.49Å
637	I	92.9	Very high	91.8	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-67.9	-35	179.7	-65.9	-179.1	0	0	0	111.8	K567 L633 Y635 I643 F645 I656 S659 N663	K567-I637 PolarHBondContact NZ-O 3.07Å; L633-I637 HydrophobicContact CD1-CD1 4.24Å; L633-I637 HydrophobicContact CD1-CG1 4.39Å; L633-I637 HydrophobicContact CG-CD1 4.26Å; L633-I637 WeakPolarHBondContact O-CG1 3.45Å; L633-I637 PolarHBondContact O-N 3.27Å; Y635-I637 VanDerWaalsContact C-N 3.31Å; Y635-I637 PolarHBondContact O-N 3.46Å; I637-I643 HydrophobicContact CG1-CD1 4.47Å; I637-F645 HydrophobicContact CG1-CZ 4.31Å; I637-I656 HydrophobicContact CD1-CG2 4.48Å; I637-S659 VanDerWaalsContact CD1-CB 3.48Å; I637-S659 WeakPolarHBondContact CD1-OG 3.46Å; I637-N663 WeakPolarHBondContact CG2-ND2 3.48Å
638	G	89.1	Confident	91.9	Very high	59 Å²	59	51 Å²	51	61%	0.608	25%	0.249	S	C	*	.	H	α-helix	trans	-75.6	-34.7	177.4	0	0	0	0	0	114.2	D634 Y635 V636	D634-G638 PolarHBondContact O-N 3.49Å; Y635-G638 PolarHBondContact O-N 3.39Å; V636-G638 PolarHBondContact O-N 2.87Å
639	H	88.6	Confident	91.7	Very high	70 Å²	70	49.9 Å²	49.9	32%	0.324	25%	0.246	S	C	.	.	H	α-helix	trans	-84.4	-52.3	-173.3	-170.9	81.2	0	0	0	112.9	Y635	Y635-H639 HydrophobicContact CE1-CB 4.17Å; Y635-H639 AromaticContact CZ-ND1 3.98Å; Y635-H639 WeakPolarHBondContact O-CB 3.31Å; Y635-H639 PolarHBondContact O-N 3.31Å
640	Y	90.6	Very high	91.4	Very high	31 Å²	31	48.1 Å²	48.1	12%	0.122	23%	0.233	C	C	.	.			trans	-84.3	136.3	-174.6	-66.7	-78.1	0	0	0	111.5	K567 C615 C618 V636	K567-Y640 WeakPolarHBondContact CE-O 3.44Å; K567-Y640 PolarHBondContact NZ-O 2.93Å; C615-Y640 HydrophobicContact CB-CE1 4.14Å; C615-Y640 WeakPolarHBondContact O-CD1 3.25Å; C615-Y640 WeakPolarHBondContact O-CE1 3.5Å; C618-Y640 HydrophobicContact CB-CD1 3.89Å; C618-Y640 HydrophobicContact CB-CD2 4Å; C618-Y640 HydrophobicContact CB-CE1 3.98Å; C618-Y640 HydrophobicContact CB-CE2 4.08Å; C618-Y640 HydrophobicContact CB-CG 3.89Å; C618-Y640 VanDerWaalsContact SG-CD2 3.56Å; C618-Y640 VanDerWaalsContact SG-CG 3.56Å; V636-Y640 HydrophobicContact CG1-CD2 4.1Å; V636-Y640 PolarHBondContact O-N 3.01Å; V636-Y640 VanDerWaalsContact O-N 3.14Å
641	K	90.6	Very high	91.1	Very high	158 Å²	158	45.8 Å²	45.8	69%	0.687	22%	0.224	S	C	*	.	S	Bend	trans	-84.6	-34.9	178.1	-68.1	-171.3	179.9	-175.9	0	112.2	K567 K616	K567-K641 WeakPolarHBondContact CE-O 2.92Å; K616-K641 PolarHBondContact O-N 3.3Å; K616-K641 VanDerWaalsContact O-N 3.15Å
642	E	95	Very high	91	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.6	-177.4	-59.4	179.8	173.7	0	0	108.3	R562 I588 I589 S590 N593 K616 A617 C618	R562-E642 IonicContact CZ-OE1 2.71Å; R562-E642 IonicContact NH1-OE1 3.6Å; R562-E642 PolarHBondContact NH1-OE1 3.34Å; R562-E642 IonicContact NH2-OE1 3Å; R562-E642 PolarHBondContact NH2-OE1 3.14Å; I588-E642 WeakPolarHBondContact O-CB 3.36Å; I588-E642 VanDerWaalsContact O-CG 3.3Å; I588-E642 WeakPolarHBondContact O-CG 3.34Å; I589-E642 WeakPolarHBondContact CA-OE2 3.44Å; I589-E642 HydrophobicContact CG1-CB 4.43Å; S590-E642 WeakPolarHBondContact CB-OE1 3.4Å; S590-E642 PolarHBondContact N-OE1 3.16Å; S590-E642 PolarHBondContact N-OE2 3.02Å; S590-E642 PolarHBondContact OG-OE1 2.81Å; N593-E642 PolarHBondContact ND2-OE1 3.02Å; N593-E642 PolarHBondContact ND2-OE2 2.71Å; K616-E642 PolarHBondContact O-N 3.38Å; A617-E642 CarbonylContact C-O 3.59Å; A617-E642 WeakPolarHBondContact CA-O 3.25Å; A617-E642 HydrophobicContact CB-CB 3.92Å; C618-E642 PolarHBondContact N-O 3.19Å
643	I	95.4	Very high	91.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.9	-170.4	-54.2	179.7	0	0	0	109.8	K567 V569 M570 V636 I637 F645	K567-I643 VanDerWaalsContact NZ-CD1 3.32Å; V569-I643 HydrophobicContact CG1-CB 4.14Å; V569-I643 HydrophobicContact CG1-CG2 4.25Å; V569-I643 HydrophobicContact CG2-CB 4.41Å; M570-I643 PolarHBondContact N-O 3.27Å; M570-I643 VanDerWaalsContact N-O 3.17Å; V636-I643 HydrophobicContact CG1-CD1 4.49Å; I637-I643 HydrophobicContact CG1-CD1 4.47Å; I643-F645 HydrophobicContact CG2-CD2 3.79Å; I643-F645 HydrophobicContact CG2-CE1 4.44Å; I643-F645 HydrophobicContact CG2-CE2 3.36Å; I643-F645 HydrophobicContact CG2-CZ 3.72Å
644	V	96.2	Very high	91	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.5	171.5	178.1	0	0	0	0	108.8	M570 A579 A583 I588 I589 C618 V619 V620	M570-V644 HydrophobicContact CB-CB 4.46Å; M570-V644 HydrophobicContact CB-CG1 4.2Å; M570-V644 HydrophobicContact CB-CG2 4.18Å; M570-V644 HydrophobicContact CG-CG1 4.34Å; M570-V644 HydrophobicContact SD-CG1 4.02Å; A579-V644 HydrophobicContact CB-CG1 3.8Å; A583-V644 HydrophobicContact CB-CG2 3.46Å; A583-V644 VanDerWaalsContact CB-CG2 3.46Å; I588-V644 HydrophobicContact CG2-CG2 4.45Å; I589-V644 HydrophobicContact CD1-CG2 3.71Å; I589-V644 HydrophobicContact CG1-CG2 4.09Å; C618-V644 PolarHBondContact O-N 3.1Å; V619-V644 CarbonylContact C-O 3.59Å; V619-V644 VanDerWaalsContact CA-O 3.32Å; V619-V644 WeakPolarHBondContact CA-O 3.35Å; V619-V644 HydrophobicContact CG2-CB 4.16Å; V620-V644 PolarHBondContact N-O 3.35Å
645	F	95.7	Very high	91	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.3	167.6	-64.5	-82.9	0	0	0	108.7	V569 M570 V571 T572 V620 L625 L633 I637 I643 T648 I656	V569-F645 HydrophobicContact CG1-CD2 3.75Å; V569-F645 HydrophobicContact CG1-CE2 3.85Å; M570-F645 PolarHBondContact O-N 3.25Å; V571-F645 HydrophobicContact CG1-CB 4.47Å; V571-F645 HydrophobicContact CG2-CD2 4.22Å; T572-F645 PolarHBondContact N-O 2.98Å; V620-F645 HydrophobicContact CB-CD1 3.68Å; V620-F645 HydrophobicContact CB-CE1 3.87Å; V620-F645 HydrophobicContact CG1-CD1 4.04Å; V620-F645 HydrophobicContact CG1-CE1 4.1Å; V620-F645 HydrophobicContact CG2-CD1 4.32Å; V620-F645 HydrophobicContact CG2-CE1 4.05Å; V620-F645 WeakPolarHBondContact O-CA 3.38Å; L625-F645 HydrophobicContact CD1-CD1 4.5Å; L625-F645 HydrophobicContact CD1-CE1 4.2Å; L625-F645 HydrophobicContact CD2-CD1 4.28Å; L633-F645 HydrophobicContact CD1-CE1 3.76Å; L633-F645 HydrophobicContact CD1-CZ 3.76Å; I637-F645 HydrophobicContact CG1-CZ 4.31Å; I643-F645 HydrophobicContact CG2-CD2 3.79Å; I643-F645 HydrophobicContact CG2-CE1 4.44Å; I643-F645 HydrophobicContact CG2-CE2 3.36Å; I643-F645 HydrophobicContact CG2-CZ 3.72Å; F645-T648 HydrophobicContact CB-CG2 3.68Å; F645-I656 HydrophobicContact CB-CD1 3.73Å; F645-I656 HydrophobicContact CD1-CD1 3.84Å; F645-I656 HydrophobicContact CD1-CG1 4.26Å; F645-I656 HydrophobicContact CD2-CD1 3.77Å; F645-I656 HydrophobicContact CD2-CG1 4.21Å; F645-I656 HydrophobicContact CD2-CG2 3.96Å; F645-I656 HydrophobicContact CE1-CD1 4.39Å; F645-I656 HydrophobicContact CE1-CG1 4.31Å; F645-I656 HydrophobicContact CE2-CD1 4.3Å; F645-I656 HydrophobicContact CE2-CG1 4.23Å; F645-I656 HydrophobicContact CE2-CG2 3.72Å; F645-I656 HydrophobicContact CG-CD1 3.51Å; F645-I656 HydrophobicContact CG-CG1 4.22Å; F645-I656 HydrophobicContact CZ-CG1 4.29Å; F645-I656 HydrophobicContact CZ-CG2 4.36Å
646	A	91.8	Very high	91.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.5	-177	0	0	0	0	0	110.9	T572 P576 A579 V620 H621 G622 T648	T572-A646 CarbonylContact O-C 3.55Å; T572-A646 WeakPolarHBondContact O-CA 3.29Å; P576-A646 HydrophobicContact CB-CB 4.1Å; P576-A646 HydrophobicContact CG-CB 3.92Å; A579-A646 HydrophobicContact CB-CB 3.89Å; V620-A646 PolarHBondContact O-N 2.99Å; H621-A646 CarbonylContact C-O 3.48Å; G622-A646 PolarHBondContact N-O 3.21Å; A646-T648 PolarHBondContact O-N 2.83Å
647	R	87.8	Confident	91.3	Very high	92 Å²	92	30 Å²	30	35%	0.347	16%	0.155	S	C	.	.	S	Bend	trans	56.9	32.9	-177.4	-148.9	98.7	177.9	169.5	0.2	113.8	E193 T572 G573 D574 H621	E193-R647 IonicContact OE1-CZ 3.68Å; E193-R647 IonicContact OE1-NE 3.02Å; E193-R647 PolarHBondContact OE1-NE 3.46Å; E193-R647 IonicContact OE1-NH2 2.74Å; E193-R647 PolarHBondContact OE1-NH2 3.43Å; T572-R647 PolarHBondContact O-N 3.43Å; G573-R647 WeakPolarHBondContact O-CA 3.27Å; D574-R647 PolarHBondContact O-N 3.19Å; H621-R647 WeakPolarHBondContact NE2-CB 3.44Å
648	T	89.2	Confident	91.4	Very high	10 Å²	10	32.1 Å²	32.1	6%	0.061	17%	0.165	C	C	.	.			trans	-83.1	141.6	-175.1	61	0	0	0	0	113.2	V571 T572 L625 F645 A646 I656	V571-T648 HydrophobicContact CG1-CG2 4.3Å; T572-T648 PolarHBondContact O-N 2.9Å; T572-T648 PolarHBondContact O-OG1 3.36Å; T572-T648 VanDerWaalsContact O-OG1 3.08Å; L625-T648 HydrophobicContact CD2-CG2 4.43Å; F645-T648 HydrophobicContact CB-CG2 3.68Å; A646-T648 PolarHBondContact O-N 2.83Å; T648-I656 HydrophobicContact CG2-CD1 4.12Å
649	S	85.6	Confident	91.7	Very high	31 Å²	31	29.3 Å²	29.3	22%	0.217	14%	0.136	C	C	.	.			trans	-79.7	161.8	167.9	85.2	0	0	0	0	112.6	Q651 Q652 K653	S649-Q651 VanDerWaalsContact C-N 3.26Å; S649-Q651 PolarHBondContact O-N 3.15Å; S649-Q651 PolarHBondContact OG-N 3.42Å; S649-Q651 PolarHBondContact OG-OE1 2.8Å; S649-Q652 WeakPolarHBondContact O-CA 3.41Å; S649-Q652 WeakPolarHBondContact O-CB 3.35Å; S649-Q652 PolarHBondContact O-N 3.16Å; S649-Q652 PolarHBondContact OG-N 3.43Å; S649-K653 WeakPolarHBondContact O-CG 3.27Å; S649-K653 PolarHBondContact O-N 3.09Å
650	P	85	Confident	92	Very high	10 Å²	10	26 Å²	26	7%	0.065	12%	0.12	C	C	.	.	H	α-helix	trans	-51.2	-42	174.1	-26.7	32.7	0	0	0	113.8	I225 Q652 K653 L654 N675	I225-P650 HydrophobicContact CD1-CB 4.39Å; I225-P650 HydrophobicContact CD1-CG 3.99Å; P650-Q652 VanDerWaalsContact C-N 3.33Å; P650-Q652 PolarHBondContact O-N 3.22Å; P650-K653 WeakPolarHBondContact O-CB 3.23Å; P650-K653 PolarHBondContact O-N 3.47Å; P650-L654 PolarHBondContact O-N 3Å; P650-N675 HydrophobicContact CB-CB 4.37Å; P650-N675 WeakPolarHBondContact CB-O 3.41Å; P650-N675 HydrophobicContact CG-CB 3.79Å
651	Q	85.9	Confident	92.1	Very high	62 Å²	62	26.6 Å²	26.6	29%	0.29	13%	0.125	S	C	.	.	H	α-helix	trans	-70.1	-30.6	178	-59.2	83.7	-0.1	0	0	112.5	L228 S649 L654 L655	L228-Q651 HydrophobicContact CD1-CG 3.98Å; S649-Q651 VanDerWaalsContact C-N 3.26Å; S649-Q651 PolarHBondContact O-N 3.15Å; S649-Q651 PolarHBondContact OG-N 3.42Å; S649-Q651 PolarHBondContact OG-OE1 2.8Å; Q651-L654 WeakPolarHBondContact O-CB 3.45Å; Q651-L654 PolarHBondContact O-N 2.96Å; Q651-L655 PolarHBondContact O-N 3.31Å
652	Q	90.8	Very high	92.2	Very high	27 Å²	27	23.3 Å²	23.3	13%	0.126	11%	0.108	C	C	.	.	H	α-helix	trans	-71.1	-36.6	173.9	-74.3	176.3	-28.2	0	0	111.4	G622 L625 S649 P650 L654 L655 I656	G622-Q652 PolarHBondContact O-NE2 2.65Å; L625-Q652 HydrophobicContact CD2-CB 3.79Å; L625-Q652 HydrophobicContact CD2-CG 4.01Å; S649-Q652 WeakPolarHBondContact O-CA 3.41Å; S649-Q652 WeakPolarHBondContact O-CB 3.35Å; S649-Q652 PolarHBondContact O-N 3.16Å; S649-Q652 PolarHBondContact OG-N 3.43Å; P650-Q652 VanDerWaalsContact C-N 3.33Å; P650-Q652 PolarHBondContact O-N 3.22Å; Q652-L654 VanDerWaalsContact C-N 3.28Å; Q652-L654 PolarHBondContact O-N 3.25Å; Q652-L655 PolarHBondContact O-N 3.49Å; Q652-I656 WeakPolarHBondContact O-CD1 3.46Å; Q652-I656 VanDerWaalsContact O-CG1 3.26Å; Q652-I656 WeakPolarHBondContact O-CG1 3.48Å; Q652-I656 PolarHBondContact O-N 3.42Å
653	K	92.4	Very high	92	Very high	5 Å²	5	25.6 Å²	25.6	2%	0.022	12%	0.12	C	C	.	.	H	α-helix	trans	-56.3	-45.7	171.7	-55.7	-154.8	179.7	-168.9	0	110.7	D331 V571 S649 P650 I656 V657 N675 D676 A679	D331-K653 IonicContact OD1-NZ 3.37Å; D331-K653 PolarHBondContact OD1-NZ 3.35Å; D331-K653 IonicContact OD2-NZ 2.74Å; D331-K653 PolarHBondContact OD2-NZ 2.91Å; V571-K653 HydrophobicContact CG1-CB 4.07Å; V571-K653 HydrophobicContact CG1-CD 4.01Å; V571-K653 HydrophobicContact CG1-CG 3.68Å; V571-K653 PolarHBondContact O-NZ 3.01Å; S649-K653 WeakPolarHBondContact O-CG 3.27Å; S649-K653 PolarHBondContact O-N 3.09Å; P650-K653 WeakPolarHBondContact O-CB 3.23Å; P650-K653 PolarHBondContact O-N 3.47Å; K653-I656 PolarHBondContact O-N 3.44Å; K653-V657 WeakPolarHBondContact O-CG2 3.48Å; K653-V657 PolarHBondContact O-N 3.24Å; K653-V657 VanDerWaalsContact O-N 3.15Å; K653-N675 PolarHBondContact NZ-ND2 3.08Å; K653-D676 VanDerWaalsContact CD-OD1 3.31Å; K653-D676 WeakPolarHBondContact CD-OD1 3.21Å; K653-D676 WeakPolarHBondContact CE-OD1 3.37Å; K653-D676 IonicContact NZ-OD1 2.67Å; K653-D676 PolarHBondContact NZ-OD1 3.39Å; K653-A679 HydrophobicContact CB-CB 3.87Å
654	L	92.3	Very high	91.7	Very high	17 Å²	17	31.6 Å²	31.6	9%	0.089	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-49.9	173.8	175.7	65.9	0	0	0	112.4	L232 P650 Q651 Q652 I656 V657 E658 P678 Q682	L232-L654 HydrophobicContact CD1-CD1 3.83Å; L232-L654 HydrophobicContact CD1-CD2 4.07Å; L232-L654 HydrophobicContact CD2-CD1 4.36Å; L232-L654 HydrophobicContact CD2-CD2 4.35Å; P650-L654 PolarHBondContact O-N 3Å; Q651-L654 WeakPolarHBondContact O-CB 3.45Å; Q651-L654 PolarHBondContact O-N 2.96Å; Q652-L654 VanDerWaalsContact C-N 3.28Å; Q652-L654 PolarHBondContact O-N 3.25Å; L654-I656 VanDerWaalsContact C-N 3.27Å; L654-I656 PolarHBondContact O-N 2.87Å; L654-V657 WeakPolarHBondContact O-CB 3.46Å; L654-V657 PolarHBondContact O-N 3.24Å; L654-V657 VanDerWaalsContact O-N 3.1Å; L654-E658 HydrophobicContact CD1-CG 4.49Å; L654-E658 PolarHBondContact O-N 3.07Å; L654-P678 HydrophobicContact CB-CB 4.4Å; L654-Q682 HydrophobicContact CD1-CB 3.26Å; L654-Q682 HydrophobicContact CD1-CG 3.46Å; L654-Q682 VanDerWaalsContact CD1-CG 3.46Å
655	L	93	Very high	91.5	Very high	43 Å²	43	33.7 Å²	33.7	23%	0.225	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-37.7	-179.8	-176.4	68.5	0	0	0	112.7	L633 Q651 Q652 S659	L633-L655 HydrophobicContact CD2-CD2 4.11Å; L633-L655 HydrophobicContact CD2-CG 3.87Å; Q651-L655 PolarHBondContact O-N 3.31Å; Q652-L655 PolarHBondContact O-N 3.49Å; L655-S659 WeakPolarHBondContact O-CB 3.12Å; L655-S659 PolarHBondContact O-N 3.24Å
656	I	95.1	Very high	91.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-45.4	175.8	-67.3	159.7	0	0	0	110.4	V571 L625 I637 F645 T648 Q652 K653 L654 S659 C660	V571-I656 HydrophobicContact CG1-CD1 3.68Å; V571-I656 HydrophobicContact CG2-CD1 4.36Å; V571-I656 HydrophobicContact CG2-CG2 4.11Å; L625-I656 HydrophobicContact CD2-CD1 3.81Å; L625-I656 HydrophobicContact CD2-CG1 4.02Å; I637-I656 HydrophobicContact CD1-CG2 4.48Å; F645-I656 HydrophobicContact CB-CD1 3.73Å; F645-I656 HydrophobicContact CD1-CD1 3.84Å; F645-I656 HydrophobicContact CD1-CG1 4.26Å; F645-I656 HydrophobicContact CD2-CD1 3.77Å; F645-I656 HydrophobicContact CD2-CG1 4.21Å; F645-I656 HydrophobicContact CD2-CG2 3.96Å; F645-I656 HydrophobicContact CE1-CD1 4.39Å; F645-I656 HydrophobicContact CE1-CG1 4.31Å; F645-I656 HydrophobicContact CE2-CD1 4.3Å; F645-I656 HydrophobicContact CE2-CG1 4.23Å; F645-I656 HydrophobicContact CE2-CG2 3.72Å; F645-I656 HydrophobicContact CG-CD1 3.51Å; F645-I656 HydrophobicContact CG-CG1 4.22Å; F645-I656 HydrophobicContact CZ-CG1 4.29Å; F645-I656 HydrophobicContact CZ-CG2 4.36Å; T648-I656 HydrophobicContact CG2-CD1 4.12Å; Q652-I656 WeakPolarHBondContact O-CD1 3.46Å; Q652-I656 VanDerWaalsContact O-CG1 3.26Å; Q652-I656 WeakPolarHBondContact O-CG1 3.48Å; Q652-I656 PolarHBondContact O-N 3.42Å; K653-I656 PolarHBondContact O-N 3.44Å; L654-I656 VanDerWaalsContact C-N 3.27Å; L654-I656 PolarHBondContact O-N 2.87Å; I656-S659 PolarHBondContact O-N 3.25Å; I656-C660 PolarHBondContact O-N 3.14Å
657	V	95.2	Very high	91.7	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-46.9	177.3	173.9	0	0	0	0	110.9	K653 L654 S659 C660 Q661 V667 V669 A679 Q682 A683	K653-V657 WeakPolarHBondContact O-CG2 3.48Å; K653-V657 PolarHBondContact O-N 3.24Å; K653-V657 VanDerWaalsContact O-N 3.15Å; L654-V657 WeakPolarHBondContact O-CB 3.46Å; L654-V657 PolarHBondContact O-N 3.24Å; L654-V657 VanDerWaalsContact O-N 3.1Å; V657-S659 VanDerWaalsContact C-N 3.29Å; V657-S659 PolarHBondContact O-N 2.79Å; V657-C660 WeakPolarHBondContact O-CB 3.16Å; V657-C660 PolarHBondContact O-N 3.4Å; V657-Q661 WeakPolarHBondContact O-CG 3.35Å; V657-Q661 PolarHBondContact O-N 3.14Å; V657-V667 HydrophobicContact CG1-CG1 4.19Å; V657-V669 HydrophobicContact CG1-CG2 4.31Å; V657-V669 HydrophobicContact CG2-CG2 3.45Å; V657-V669 VanDerWaalsContact CG2-CG2 3.45Å; V657-A679 HydrophobicContact CG2-CB 4.05Å; V657-Q682 HydrophobicContact CG1-CB 4.36Å; V657-Q682 HydrophobicContact CG1-CG 4.07Å; V657-A683 HydrophobicContact CG1-CB 4.48Å
658	E	94	Very high	92.1	Very high	50 Å²	50	30.1 Å²	30.1	23%	0.234	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-39.4	176.3	-69.1	-179.9	174.8	0	0	112.2	L654 Q661 R662 Q682	L654-E658 HydrophobicContact CD1-CG 4.49Å; L654-E658 PolarHBondContact O-N 3.07Å; E658-Q661 PolarHBondContact O-N 3.46Å; E658-R662 WeakPolarHBondContact O-CG 3.48Å; E658-R662 PolarHBondContact O-N 2.96Å; E658-R662 IonicContact OE2-NH1 3.24Å; E658-Q682 HydrophobicContact CG-CG 4.12Å
659	S	94.9	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.8	-42.5	177.3	179.5	0	0	0	0	112.1	D634 I637 L655 I656 V657 Q661 R662 N663	D634-S659 WeakPolarHBondContact OD1-CA 3.24Å; D634-S659 VanDerWaalsContact OD1-CB 3.27Å; D634-S659 WeakPolarHBondContact OD1-CB 3.33Å; D634-S659 PolarHBondContact OD1-OG 3.14Å; I637-S659 VanDerWaalsContact CD1-CB 3.48Å; I637-S659 WeakPolarHBondContact CD1-OG 3.46Å; L655-S659 WeakPolarHBondContact O-CB 3.12Å; L655-S659 PolarHBondContact O-N 3.24Å; I656-S659 PolarHBondContact O-N 3.25Å; V657-S659 VanDerWaalsContact C-N 3.29Å; V657-S659 PolarHBondContact O-N 2.79Å; S659-Q661 VanDerWaalsContact C-N 3.32Å; S659-Q661 PolarHBondContact O-N 2.8Å; S659-R662 PolarHBondContact O-N 3.46Å; S659-N663 PolarHBondContact O-N 2.91Å
660	C	94.8	Very high	93	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59	-43.2	171.9	-73.2	0	0	0	0	111.8	I656 V657 N663 N665 V667	I656-C660 PolarHBondContact O-N 3.14Å; V657-C660 WeakPolarHBondContact O-CB 3.16Å; V657-C660 PolarHBondContact O-N 3.4Å; C660-N663 WeakPolarHBondContact O-CB 3.31Å; C660-N663 PolarHBondContact O-N 2.82Å; C660-N665 WeakPolarHBondContact O-CB 3.49Å; C660-N665 PolarHBondContact O-N 3.07Å; C660-V667 HydrophobicContact CB-CG1 4.4Å; C660-V667 HydrophobicContact CB-CG2 3.4Å; C660-V667 VanDerWaalsContact CB-CG2 3.4Å
661	Q	93.5	Very high	93.3	Very high	45 Å²	45	28.1 Å²	28.1	21%	0.21	13%	0.131	C	C	.	.	H	α-helix	trans	-66.6	-40.2	177.2	-71.8	174.3	-28.2	0	0	112.6	V657 E658 S659 N663 K664 V667 Q682 D684	V657-Q661 WeakPolarHBondContact O-CG 3.35Å; V657-Q661 PolarHBondContact O-N 3.14Å; E658-Q661 PolarHBondContact O-N 3.46Å; S659-Q661 VanDerWaalsContact C-N 3.32Å; S659-Q661 PolarHBondContact O-N 2.8Å; Q661-N663 PolarHBondContact O-N 2.85Å; Q661-K664 WeakPolarHBondContact O-CA 3.34Å; Q661-K664 PolarHBondContact O-N 3.22Å; Q661-V667 HydrophobicContact CG-CB 4.3Å; Q661-V667 HydrophobicContact CG-CG2 3.76Å; Q661-Q682 PolarHBondContact NE2-O 3.24Å; Q661-D684 PolarHBondContact NE2-OD2 3.35Å
662	R	93	Very high	93.4	Very high	88 Å²	88	25.5 Å²	25.5	33%	0.332	12%	0.12	S	C	.	.	H	α-helix	trans	-60.4	-35	173.4	-76.2	-167.5	-56.7	-86.4	3.4	112.3	D634 E658 S659 K664	D634-R662 IonicContact OD1-CZ 2.63Å; D634-R662 IonicContact OD1-NE 3.9Å; D634-R662 PolarHBondContact OD1-NE 2.82Å; D634-R662 IonicContact OD1-NH2 2.67Å; D634-R662 PolarHBondContact OD1-NH2 3.05Å; D634-R662 IonicContact OD2-CZ 2.8Å; D634-R662 IonicContact OD2-NE 3.44Å; D634-R662 PolarHBondContact OD2-NE 3.28Å; D634-R662 IonicContact OD2-NH2 3.68Å; E658-R662 WeakPolarHBondContact O-CG 3.48Å; E658-R662 PolarHBondContact O-N 2.96Å; E658-R662 IonicContact OE2-NH1 3.24Å; S659-R662 PolarHBondContact O-N 3.46Å; R662-K664 PolarHBondContact O-N 3.44Å; R662-K664 VanDerWaalsContact O-N 3.1Å
663	N	90.2	Very high	93	Very high	55 Å²	55	24.7 Å²	24.7	29%	0.294	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	10.1	170.8	-83.1	-32.4	0	0	0	114	D634 I637 S659 C660 Q661 N665	D634-N663 PolarHBondContact O-ND2 3.41Å; I637-N663 WeakPolarHBondContact CG2-ND2 3.48Å; S659-N663 PolarHBondContact O-N 2.91Å; C660-N663 WeakPolarHBondContact O-CB 3.31Å; C660-N663 PolarHBondContact O-N 2.82Å; Q661-N663 PolarHBondContact O-N 2.85Å; N663-N665 PolarHBondContact O-N 3Å
664	K	89.5	Confident	92.6	Very high	126 Å²	126	24.6 Å²	24.6	55%	0.548	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	18.4	175.2	-49.7	164.5	-178	-178.9	0	113.9	Q661 R662 R795	Q661-K664 WeakPolarHBondContact O-CA 3.34Å; Q661-K664 PolarHBondContact O-N 3.22Å; R662-K664 PolarHBondContact O-N 3.44Å; R662-K664 VanDerWaalsContact O-N 3.1Å; K664-R795 VanDerWaalsContact CD-CZ 3.4Å; K664-R795 VanDerWaalsContact CD-NH2 3.29Å; K664-R795 VanDerWaalsContact CE-CZ 3.45Å
665	N	92.4	Very high	92.2	Very high	44 Å²	44	24 Å²	24	24%	0.235	12%	0.115	C	C	.	.			trans	-81.4	139.8	172	-63.4	-41.5	0	0	0	109.4	S326 C660 N663 V667	S326-N665 VanDerWaalsContact OG-CA 3.24Å; S326-N665 WeakPolarHBondContact OG-CA 3.43Å; S326-N665 VanDerWaalsContact OG-CB 3.25Å; S326-N665 WeakPolarHBondContact OG-CB 3.4Å; C660-N665 WeakPolarHBondContact O-CB 3.49Å; C660-N665 PolarHBondContact O-N 3.07Å; N663-N665 PolarHBondContact O-N 3Å; N665-V667 HydrophobicContact CB-CG2 4.31Å
666	I	95.1	Very high	92	Very high	18 Å²	18	22 Å²	22	9%	0.092	11%	0.105	C	C	.	.			trans	-78.7	120	161.8	-54	-52.7	0	0	0	107.5	P238 T321 S324 S326 T327 D684	P238-I666 HydrophobicContact CG-CD1 3.96Å; P238-I666 HydrophobicContact CG-CG1 4.35Å; P238-I666 HydrophobicContact CG-CG2 4.07Å; T321-I666 HydrophobicContact CG2-CG2 3.95Å; S324-I666 WeakPolarHBondContact O-CB 3.14Å; S326-I666 PolarHBondContact N-O 2.99Å; S326-I666 PolarHBondContact OG-N 2.87Å; S326-I666 PolarHBondContact OG-O 3.08Å; S326-I666 VanDerWaalsContact OG-O 3.07Å; T327-I666 PolarHBondContact N-O 3.38Å; T327-I666 VanDerWaalsContact N-O 3.09Å; I666-D684 WeakPolarHBondContact CA-OD2 3.5Å; I666-D684 HydrophobicContact CG2-CB 3.84Å
667	V	96.2	Very high	91.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.3	-168.5	-172.4	0	0	0	0	110.7	T327 V657 C660 Q661 N665 V669 D684 I685	T327-V667 WeakPolarHBondContact O-CA 3.45Å; V657-V667 HydrophobicContact CG1-CG1 4.19Å; C660-V667 HydrophobicContact CB-CG1 4.4Å; C660-V667 HydrophobicContact CB-CG2 3.4Å; C660-V667 VanDerWaalsContact CB-CG2 3.4Å; Q661-V667 HydrophobicContact CG-CB 4.3Å; Q661-V667 HydrophobicContact CG-CG2 3.76Å; N665-V667 HydrophobicContact CB-CG2 4.31Å; V667-V669 HydrophobicContact CG1-CG2 4.31Å; V667-D684 PolarHBondContact N-OD2 3.2Å; V667-D684 PolarHBondContact O-N 3.31Å; V667-I685 PolarHBondContact O-N 3.34Å
668	A	96.8	Very high	91.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.5	165.2	0	0	0	0	0	109.8	T325 T327 I328 C329 I685 I687	T325-A668 HydrophobicContact CG2-CB 3.61Å; T327-A668 PolarHBondContact O-N 3.49Å; I328-A668 CarbonylContact C-O 3.58Å; I328-A668 WeakPolarHBondContact CA-O 3.11Å; I328-A668 HydrophobicContact CG1-CB 4.19Å; C329-A668 PolarHBondContact N-O 3Å; A668-I685 VanDerWaalsContact CA-O 3.29Å; A668-I685 WeakPolarHBondContact CA-O 3.27Å; A668-I685 HydrophobicContact CB-CG2 3.46Å; A668-I685 VanDerWaalsContact CB-CG2 3.46Å; A668-I687 HydrophobicContact CB-CD1 4.39Å
669	V	96.9	Very high	91.3	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.042	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.7	174	175.9	0	0	0	0	109.3	C329 V657 V667 A679 L680 A683 I685 I687	C329-V669 HydrophobicContact CB-CG2 4.08Å; C329-V669 CarbonylContact O-C 3.54Å; C329-V669 VanDerWaalsContact O-CA 3.27Å; C329-V669 WeakPolarHBondContact O-CA 3.46Å; V657-V669 HydrophobicContact CG1-CG2 4.31Å; V657-V669 HydrophobicContact CG2-CG2 3.45Å; V657-V669 VanDerWaalsContact CG2-CG2 3.45Å; V667-V669 HydrophobicContact CG1-CG2 4.31Å; V669-A679 HydrophobicContact CG1-CB 4.11Å; V669-L680 HydrophobicContact CB-CD2 4.16Å; V669-L680 HydrophobicContact CG1-CD2 3.87Å; V669-L680 HydrophobicContact CG1-CG 4.16Å; V669-L680 WeakPolarHBondContact O-CD2 3.34Å; V669-A683 HydrophobicContact CB-CB 3.87Å; V669-A683 HydrophobicContact CG2-CB 3.54Å; V669-I685 PolarHBondContact N-O 3.2Å; V669-I687 PolarHBondContact O-N 3.33Å
670	T	95.3	Very high	91.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.8	173.8	65.6	0	0	0	0	109.9	I328 C329 S330 D331 T335 I687 F710 I713	I328-T670 HydrophobicContact CG2-CG2 4.19Å; C329-T670 PolarHBondContact O-N 2.87Å; S330-T670 WeakPolarHBondContact CA-OG1 3.49Å; S330-T670 VanDerWaalsContact CB-OG1 3.25Å; S330-T670 WeakPolarHBondContact CB-OG1 3.42Å; S330-T670 PolarHBondContact OG-OG1 2.83Å; D331-T670 PolarHBondContact N-O 3.32Å; T335-T670 WeakPolarHBondContact CG2-OG1 3.27Å; T670-I687 VanDerWaalsContact CA-O 3.3Å; T670-I687 WeakPolarHBondContact CA-O 3.45Å; T670-I687 HydrophobicContact CG2-CB 3.99Å; T670-I687 HydrophobicContact CG2-CD1 4.05Å; T670-I687 HydrophobicContact CG2-CG2 4.3Å; T670-F710 HydrophobicContact CG2-CE2 4.14Å; T670-I713 HydrophobicContact CG2-CD1 3.4Å; T670-I713 VanDerWaalsContact CG2-CD1 3.4Å
671	G	91.2	Very high	90.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	166.3	-179.9	0	0	0	0	0	113.3	D676 I687 A688 M689	G671-D676 WeakPolarHBondContact CA-OD2 3.48Å; G671-I687 PolarHBondContact N-O 3.11Å; G671-I687 VanDerWaalsContact N-O 3.08Å; G671-A688 WeakPolarHBondContact O-CA 3.38Å; G671-M689 PolarHBondContact O-N 3.1Å
672	D	88	Confident	90.8	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.043	10%	0.099	C	C	.	.			trans	-124.5	-36.3	178.6	72.3	-39.2	0	0	0	111.3	G334 D676 M689 G693 S694 S697	G334-D672 WeakPolarHBondContact CA-OD2 3.47Å; D672-D676 PolarHBondContact N-OD2 3.04Å; D672-D676 VanDerWaalsContact N-OD2 3.16Å; D672-M689 HydrophobicContact CB-CB 4.03Å; D672-M689 HydrophobicContact CB-CG 3.82Å; D672-G693 CarbonylContact O-C 3.53Å; D672-G693 VanDerWaalsContact O-CA 3.32Å; D672-G693 WeakPolarHBondContact O-CA 3.23Å; D672-S694 PolarHBondContact O-N 3.19Å; D672-S694 PolarHBondContact O-OG 3.29Å; D672-S697 WeakPolarHBondContact O-CB 3.17Å; D672-S697 PolarHBondContact O-OG 2.97Å
673	G	82.5	Confident	90.9	Very high	10 Å²	10	17 Å²	17	10%	0.103	9%	0.087	C	C	.	.	S	Bend	trans	-79.6	167.8	-175.8	0	0	0	0	0	114.7	N675 D676 S697	G673-N675 VanDerWaalsContact C-N 3.3Å; G673-N675 VanDerWaalsContact CA-OD1 3.22Å; G673-N675 WeakPolarHBondContact CA-OD1 3.32Å; G673-D676 PolarHBondContact N-OD2 3.27Å; G673-D676 PolarHBondContact O-N 3.46Å; G673-S697 WeakPolarHBondContact O-CB 3.38Å
674	V	83.7	Confident	91	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.018	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-74.5	-26.5	178.7	-174.2	0	0	0	0	111.8	F116 M119 S172 M222 D676 S677 S694 V696	F116-V674 HydrophobicContact CE1-CG1 4.45Å; M119-V674 HydrophobicContact SD-CG2 4.45Å; S172-V674 WeakPolarHBondContact O-CB 3.16Å; M222-V674 HydrophobicContact CE-CB 4.32Å; M222-V674 HydrophobicContact CE-CG1 3.15Å; M222-V674 HydrophobicContact SD-CG1 4.01Å; V674-D676 PolarHBondContact O-N 2.82Å; V674-S677 WeakPolarHBondContact O-CB 3.4Å; V674-S677 PolarHBondContact O-N 3.36Å; V674-S677 VanDerWaalsContact O-N 3.09Å; V674-S677 PolarHBondContact O-OG 2.9Å; V674-S694 WeakPolarHBondContact CG2-OG 3.31Å; V674-V696 HydrophobicContact CG1-CB 3.93Å; V674-V696 HydrophobicContact CG1-CG1 3.81Å; V674-V696 HydrophobicContact CG1-CG2 4.06Å; V674-V696 HydrophobicContact CG2-CB 4.15Å; V674-V696 HydrophobicContact CG2-CG2 4.2Å
675	N	84.1	Confident	91.2	Very high	3 Å²	3	9.8 Å²	9.8	2%	0.016	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-56.5	-24.1	168.9	59	-31.4	0	0	0	113.8	S172 P650 K653 G673	S172-N675 PolarHBondContact O-N 2.93Å; P650-N675 HydrophobicContact CB-CB 4.37Å; P650-N675 WeakPolarHBondContact CB-O 3.41Å; P650-N675 HydrophobicContact CG-CB 3.79Å; K653-N675 PolarHBondContact NZ-ND2 3.08Å; G673-N675 VanDerWaalsContact C-N 3.3Å; G673-N675 VanDerWaalsContact CA-OD1 3.22Å; G673-N675 WeakPolarHBondContact CA-OD1 3.32Å
676	D	89.8	Confident	91.3	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.011	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-83.8	-15.8	178	-62.4	-40.4	0	0	0	113.3	K653 G671 D672 G673 V674 P678 A679 L680	K653-D676 VanDerWaalsContact CD-OD1 3.31Å; K653-D676 WeakPolarHBondContact CD-OD1 3.21Å; K653-D676 WeakPolarHBondContact CE-OD1 3.37Å; K653-D676 IonicContact NZ-OD1 2.67Å; K653-D676 PolarHBondContact NZ-OD1 3.39Å; G671-D676 WeakPolarHBondContact CA-OD2 3.48Å; D672-D676 PolarHBondContact N-OD2 3.04Å; D672-D676 VanDerWaalsContact N-OD2 3.16Å; G673-D676 PolarHBondContact N-OD2 3.27Å; G673-D676 PolarHBondContact O-N 3.46Å; V674-D676 PolarHBondContact O-N 2.82Å; D676-P678 VanDerWaalsContact C-CD 3.47Å; D676-A679 PolarHBondContact O-N 2.62Å; D676-L680 HydrophobicContact CB-CD1 3.86Å; D676-L680 HydrophobicContact CB-CG 4.14Å; D676-L680 WeakPolarHBondContact O-CB 3.22Å; D676-L680 WeakPolarHBondContact O-CG 3.37Å; D676-L680 PolarHBondContact O-N 2.79Å
677	S	87.3	Confident	91.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-55.6	-40.1	-172.2	61.3	0	0	0	0	115	V674 K681	V674-S677 WeakPolarHBondContact O-CB 3.4Å; V674-S677 PolarHBondContact O-N 3.36Å; V674-S677 VanDerWaalsContact O-N 3.09Å; V674-S677 PolarHBondContact O-OG 2.9Å; S677-K681 WeakPolarHBondContact O-CB 3.27Å; S677-K681 PolarHBondContact O-N 3.4Å; S677-K681 VanDerWaalsContact O-N 3.1Å
678	P	88.8	Confident	91.2	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.013	4%	0.038	C	C	.	.	H	α-helix	trans	-68.5	-38.9	176.3	-17.8	33.9	0	0	0	112.1	I225 A229 L232 L654 D676 K681 Q682	I225-P678 HydrophobicContact CG2-CG 4.03Å; A229-P678 HydrophobicContact CB-CG 4.45Å; L232-P678 HydrophobicContact CD1-CB 4.13Å; L654-P678 HydrophobicContact CB-CB 4.4Å; D676-P678 VanDerWaalsContact C-CD 3.47Å; P678-K681 PolarHBondContact O-N 3.01Å; P678-Q682 WeakPolarHBondContact O-CB 3.12Å; P678-Q682 PolarHBondContact O-N 3.21Å; P678-Q682 VanDerWaalsContact O-N 3.09Å
679	A	92.9	Very high	90.9	Very high	2 Å²	2	6.9 Å²	6.9	2%	0.017	4%	0.038	C	C	.	.	H	α-helix	trans	-69.6	-40.5	178.9	0	0	0	0	0	111.7	K653 V657 V669 D676 K681 Q682 A683	K653-A679 HydrophobicContact CB-CB 3.87Å; V657-A679 HydrophobicContact CG2-CB 4.05Å; V669-A679 HydrophobicContact CG1-CB 4.11Å; D676-A679 PolarHBondContact O-N 2.62Å; A679-K681 VanDerWaalsContact C-N 3.33Å; A679-K681 PolarHBondContact O-N 3.11Å; A679-Q682 PolarHBondContact O-N 2.7Å; A679-A683 WeakPolarHBondContact O-CB 3.3Å; A679-A683 PolarHBondContact O-N 3.34Å
680	L	92.6	Very high	90.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.3	-41.8	174.7	-75.3	168.5	0	0	0	111.7	V669 D676 G686 I687 A700 A701	V669-L680 HydrophobicContact CB-CD2 4.16Å; V669-L680 HydrophobicContact CG1-CD2 3.87Å; V669-L680 HydrophobicContact CG1-CG 4.16Å; V669-L680 WeakPolarHBondContact O-CD2 3.34Å; D676-L680 HydrophobicContact CB-CD1 3.86Å; D676-L680 HydrophobicContact CB-CG 4.14Å; D676-L680 WeakPolarHBondContact O-CB 3.22Å; D676-L680 WeakPolarHBondContact O-CG 3.37Å; D676-L680 PolarHBondContact O-N 2.79Å; L680-G686 WeakPolarHBondContact O-CA 3.41Å; L680-I687 WeakPolarHBondContact CD2-O 3.33Å; L680-A700 HydrophobicContact CB-CB 4.23Å; L680-A701 HydrophobicContact CD2-CB 4.45Å
681	K	88.7	Confident	89.9	Confident	29 Å²	29	13.2 Å²	13.2	13%	0.126	8%	0.075	C	C	.	.	H	α-helix	trans	-72.9	-36.8	-179.4	-172.1	64.3	172.7	164.4	0	113.3	I112 A229 L232 S234 S677 P678 A679	I112-K681 HydrophobicContact CD1-CD 4.15Å; A229-K681 WeakPolarHBondContact O-CG 3.49Å; L232-K681 HydrophobicContact CB-CG 4.14Å; S234-K681 WeakPolarHBondContact OG-CE 3.39Å; S234-K681 PolarHBondContact OG-NZ 2.67Å; S677-K681 WeakPolarHBondContact O-CB 3.27Å; S677-K681 PolarHBondContact O-N 3.4Å; S677-K681 VanDerWaalsContact O-N 3.1Å; P678-K681 PolarHBondContact O-N 3.01Å; A679-K681 VanDerWaalsContact C-N 3.33Å; A679-K681 PolarHBondContact O-N 3.11Å
682	Q	92.3	Very high	89.5	Confident	39 Å²	39	15.2 Å²	15.2	18%	0.182	9%	0.091	C	C	.	.	H	α-helix	trans	-75.4	-26.3	178.6	-179.2	59.9	33.6	0	0	113.1	L232 L654 V657 E658 Q661 P678 A679	L232-Q682 HydrophobicContact CD1-CB 4.43Å; L654-Q682 HydrophobicContact CD1-CB 3.26Å; L654-Q682 HydrophobicContact CD1-CG 3.46Å; L654-Q682 VanDerWaalsContact CD1-CG 3.46Å; V657-Q682 HydrophobicContact CG1-CB 4.36Å; V657-Q682 HydrophobicContact CG1-CG 4.07Å; E658-Q682 HydrophobicContact CG-CG 4.12Å; Q661-Q682 PolarHBondContact NE2-O 3.24Å; P678-Q682 WeakPolarHBondContact O-CB 3.12Å; P678-Q682 PolarHBondContact O-N 3.21Å; P678-Q682 VanDerWaalsContact O-N 3.09Å; A679-Q682 PolarHBondContact O-N 2.7Å
683	A	94.1	Very high	89.2	Confident	9 Å²	9	15.1 Å²	15.1	7%	0.074	9%	0.092	C	C	.	.	S	Bend	trans	-56.4	154.4	179.1	0	0	0	0	0	111.9	V657 V669 A679 I685	V657-A683 HydrophobicContact CG1-CB 4.48Å; V669-A683 HydrophobicContact CB-CB 3.87Å; V669-A683 HydrophobicContact CG2-CB 3.54Å; A679-A683 WeakPolarHBondContact O-CB 3.3Å; A679-A683 PolarHBondContact O-N 3.34Å; A683-I685 WeakPolarHBondContact CB-O 3.38Å; A683-I685 PolarHBondContact O-N 3.31Å
684	D	93.9	Very high	89.1	Confident	29 Å²	29	16.1 Å²	16.1	16%	0.155	10%	0.098	C	C	.	.	S	Bend	trans	-65	-28.9	168.8	-59.4	-83.6	0	0	0	110.5	T321 Q661 I666 V667	T321-D684 HydrophobicContact CG2-CB 3.79Å; T321-D684 WeakPolarHBondContact CG2-O 3.33Å; Q661-D684 PolarHBondContact NE2-OD2 3.35Å; I666-D684 WeakPolarHBondContact CA-OD2 3.5Å; I666-D684 HydrophobicContact CG2-CB 3.84Å; V667-D684 PolarHBondContact N-OD2 3.2Å; V667-D684 PolarHBondContact O-N 3.31Å
685	I	93.8	Very high	88.9	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	119.8	168.4	-175.7	176.1	0	0	0	111.6	A318 T321 L322 V667 A668 V669 A683 I687 D702 M703	A318-I685 HydrophobicContact CB-CD1 3.91Å; A318-I685 HydrophobicContact CB-CG1 4.13Å; A318-I685 VanDerWaalsContact O-CD1 3.26Å; A318-I685 WeakPolarHBondContact O-CD1 3.14Å; T321-I685 HydrophobicContact CG2-CB 3.87Å; T321-I685 HydrophobicContact CG2-CG2 3.94Å; L322-I685 HydrophobicContact CB-CD1 3.83Å; L322-I685 HydrophobicContact CD1-CD1 4.41Å; L322-I685 HydrophobicContact CG-CD1 4.5Å; V667-I685 PolarHBondContact O-N 3.34Å; A668-I685 VanDerWaalsContact CA-O 3.29Å; A668-I685 WeakPolarHBondContact CA-O 3.27Å; A668-I685 HydrophobicContact CB-CG2 3.46Å; A668-I685 VanDerWaalsContact CB-CG2 3.46Å; V669-I685 PolarHBondContact N-O 3.2Å; A683-I685 WeakPolarHBondContact CB-O 3.38Å; A683-I685 PolarHBondContact O-N 3.31Å; I685-I687 HydrophobicContact CD1-CG1 4.48Å; I685-I687 HydrophobicContact CG1-CG1 4.32Å; I685-D702 WeakPolarHBondContact CA-OD2 3.4Å; I685-D702 HydrophobicContact CG1-CB 4.28Å; I685-M703 HydrophobicContact CD1-CB 4.49Å; I685-M703 HydrophobicContact CD1-CE 3.75Å; I685-M703 HydrophobicContact CD1-SD 4.31Å
686	G	93.9	Very high	88.7	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.9	169.7	0	0	0	0	0	112.2	L680 A701 D702 M703	L680-G686 WeakPolarHBondContact O-CA 3.41Å; G686-A701 WeakPolarHBondContact O-CB 3.06Å; G686-D702 PolarHBondContact N-OD2 3.31Å; G686-D702 PolarHBondContact O-N 3.44Å; G686-M703 PolarHBondContact O-N 3.5Å
687	I	95.1	Very high	88.5	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	117.5	-179.9	-57.1	169.3	0	0	0	109.3	L322 A668 V669 T670 G671 L680 I685 M703 L705 I713	L322-I687 HydrophobicContact CD1-CD1 4.02Å; A668-I687 HydrophobicContact CB-CD1 4.39Å; V669-I687 PolarHBondContact O-N 3.33Å; T670-I687 VanDerWaalsContact CA-O 3.3Å; T670-I687 WeakPolarHBondContact CA-O 3.45Å; T670-I687 HydrophobicContact CG2-CB 3.99Å; T670-I687 HydrophobicContact CG2-CD1 4.05Å; T670-I687 HydrophobicContact CG2-CG2 4.3Å; G671-I687 PolarHBondContact N-O 3.11Å; G671-I687 VanDerWaalsContact N-O 3.08Å; L680-I687 WeakPolarHBondContact CD2-O 3.33Å; I685-I687 HydrophobicContact CD1-CG1 4.48Å; I685-I687 HydrophobicContact CG1-CG1 4.32Å; I687-M703 WeakPolarHBondContact CA-O 3.36Å; I687-M703 HydrophobicContact CG1-CB 4.27Å; I687-M703 HydrophobicContact CG1-SD 4.33Å; I687-L705 HydrophobicContact CG2-CD1 3.84Å; I687-L705 HydrophobicContact CG2-CD2 3.94Å; I687-L705 HydrophobicContact CG2-CG 3.65Å; I687-I713 HydrophobicContact CD1-CD1 4.34Å; I687-I713 HydrophobicContact CD1-CG1 4.24Å; I687-I713 HydrophobicContact CD1-CG2 4.42Å
688	A	92.7	Very high	88.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	149.5	177.9	0	0	0	0	0	112.9	G671 K698 A701 M703 I704 L705	G671-A688 WeakPolarHBondContact O-CA 3.38Å; A688-K698 HydrophobicContact CB-CB 4.48Å; A688-K698 HydrophobicContact CB-CG 4.12Å; A688-A701 HydrophobicContact CB-CB 3.56Å; A688-M703 PolarHBondContact N-O 3.01Å; A688-I704 WeakPolarHBondContact O-CA 3.26Å; A688-L705 PolarHBondContact O-N 3.41Å
689	M	91.5	Very high	88.1	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.1	170.7	-54.8	-54.6	-82.9	0	0	110.3	T335 G671 D672 A692 G693 K698 L705 D708	T335-M689 HydrophobicContact CG2-SD 4.34Å; G671-M689 PolarHBondContact O-N 3.1Å; D672-M689 HydrophobicContact CB-CB 4.03Å; D672-M689 HydrophobicContact CB-CG 3.82Å; M689-A692 HydrophobicContact CB-CB 4.29Å; M689-G693 WeakPolarHBondContact O-CA 3.21Å; M689-G693 PolarHBondContact O-N 3.22Å; M689-K698 WeakPolarHBondContact O-CE 3.39Å; M689-L705 HydrophobicContact SD-CD1 4.16Å; M689-D708 WeakPolarHBondContact CB-OD1 3.34Å; M689-D708 VanDerWaalsContact CE-C 3.46Å; M689-D708 VanDerWaalsContact CE-CA 3.47Å; M689-D708 HydrophobicContact CE-CB 3.65Å; M689-D708 WeakPolarHBondContact CE-O 3.39Å
690	G	86.8	Confident	87.7	Confident	17 Å²	17	25.3 Å²	25.3	18%	0.175	14%	0.143	C	C	.	.	S	Bend	trans	-77.7	-32.3	-174.5	0	0	0	0	0	114.2	K698 L705 D708	G690-K698 VanDerWaalsContact C-CE 3.48Å; G690-K698 WeakPolarHBondContact O-CE 3.26Å; G690-K698 PolarHBondContact O-NZ 3.43Å; G690-L705 VanDerWaalsContact CA-O 3.22Å; G690-L705 WeakPolarHBondContact CA-O 3.32Å; G690-L705 PolarHBondContact N-O 2.94Å; G690-D708 PolarHBondContact N-OD1 3.18Å
691	I	85.3	Confident	87.5	Confident	125 Å²	125	25.3 Å²	25.3	64%	0.641	14%	0.143	S	C	*	.	S	Bend	trans	-102.8	-57	-177.5	-51.6	170.3	0	0	0	109.8	G693 D708	I691-G693 VanDerWaalsContact C-N 3.33Å; I691-D708 WeakPolarHBondContact CB-OD2 3.14Å; I691-D708 PolarHBondContact N-OD1 3.35Å
692	A	81.2	Confident	87.6	Confident	42 Å²	42	24.8 Å²	24.8	35%	0.347	14%	0.142	S	C	.	.	S	Bend	trans	-71.7	-26.7	179.6	0	0	0	0	0	113.2	M689 D708	M689-A692 HydrophobicContact CB-CB 4.29Å; A692-D708 WeakPolarHBondContact CB-OD2 3.48Å; A692-D708 PolarHBondContact N-OD2 2.75Å
693	G	81.5	Confident	87.5	Confident	6 Å²	6	22.9 Å²	22.9	6%	0.062	13%	0.133	C	C	.	.	S	Bend	trans	-67.4	137.9	-175.3	0	0	0	0	0	113.4	D672 M689 I691 K698	D672-G693 CarbonylContact O-C 3.53Å; D672-G693 VanDerWaalsContact O-CA 3.32Å; D672-G693 WeakPolarHBondContact O-CA 3.23Å; M689-G693 WeakPolarHBondContact O-CA 3.21Å; M689-G693 PolarHBondContact O-N 3.22Å; I691-G693 VanDerWaalsContact C-N 3.33Å; G693-K698 WeakPolarHBondContact O-CE 3.43Å; G693-K698 PolarHBondContact O-NZ 3.42Å
694	S	82.1	Confident	87.3	Confident	31 Å²	31	23.5 Å²	23.5	22%	0.217	13%	0.134	C	C	.	.			trans	-60.1	154.3	168	68.2	0	0	0	0	111.6	D672 V674 V696 S697 K698	D672-S694 PolarHBondContact O-N 3.19Å; D672-S694 PolarHBondContact O-OG 3.29Å; V674-S694 WeakPolarHBondContact CG2-OG 3.31Å; S694-V696 PolarHBondContact O-N 3.4Å; S694-S697 PolarHBondContact N-OG 3.38Å; S694-S697 PolarHBondContact O-N 2.83Å; S694-S697 PolarHBondContact O-OG 2.98Å; S694-S697 WeakPolarHBondContact OG-CB 3.19Å; S694-S697 PolarHBondContact OG-N 3.12Å; S694-S697 VanDerWaalsContact OG-N 3.14Å; S694-S697 PolarHBondContact OG-OG 3.04Å; S694-S697 VanDerWaalsContact OG-OG 3.13Å; S694-K698 WeakPolarHBondContact O-CG 3.14Å; S694-K698 PolarHBondContact O-N 3.02Å; S694-K698 VanDerWaalsContact O-N 3.15Å
695	D	79.1	Confident	87.3	Confident	103 Å²	103	22.1 Å²	22.1	55%	0.551	13%	0.127	S	C	*	.	H	α-helix	trans	-61.2	-30.9	177.2	-66.1	-37.1	0	0	0	111.7	Q699	D695-Q699 WeakPolarHBondContact O-CG 3.29Å; D695-Q699 PolarHBondContact O-N 3.14Å
696	V	80.7	Confident	87.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.3	-48.1	176.2	-178.9	0	0	0	0	112.2	F116 M119 V674 S694 K698 Q699 A700	F116-V696 HydrophobicContact CD1-CG1 4.46Å; F116-V696 HydrophobicContact CD1-CG2 4.04Å; F116-V696 HydrophobicContact CD2-CG1 4.3Å; F116-V696 HydrophobicContact CD2-CG2 4.44Å; F116-V696 HydrophobicContact CE1-CB 4.48Å; F116-V696 HydrophobicContact CE1-CG1 3.66Å; F116-V696 HydrophobicContact CE1-CG2 3.94Å; F116-V696 HydrophobicContact CE2-CG1 3.47Å; F116-V696 VanDerWaalsContact CE2-CG1 3.47Å; F116-V696 HydrophobicContact CE2-CG2 4.36Å; F116-V696 HydrophobicContact CG-CG2 4.31Å; F116-V696 HydrophobicContact CZ-CB 4.26Å; F116-V696 HydrophobicContact CZ-CG1 3.1Å; F116-V696 HydrophobicContact CZ-CG2 4.13Å; M119-V696 HydrophobicContact CE-CG2 3.14Å; M119-V696 HydrophobicContact SD-CG2 3.64Å; V674-V696 HydrophobicContact CG1-CB 3.93Å; V674-V696 HydrophobicContact CG1-CG1 3.81Å; V674-V696 HydrophobicContact CG1-CG2 4.06Å; V674-V696 HydrophobicContact CG2-CB 4.15Å; V674-V696 HydrophobicContact CG2-CG2 4.2Å; S694-V696 PolarHBondContact O-N 3.4Å; V696-K698 VanDerWaalsContact C-N 3.29Å; V696-K698 PolarHBondContact O-N 3.03Å; V696-Q699 PolarHBondContact O-N 3.35Å; V696-Q699 VanDerWaalsContact O-N 3.15Å; V696-A700 WeakPolarHBondContact O-CB 3.46Å; V696-A700 PolarHBondContact O-N 2.92Å
697	S	85.5	Confident	86.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-41	-179.9	61.6	0	0	0	0	110.8	D672 G673 S694 Q699 A700 A701	D672-S697 WeakPolarHBondContact O-CB 3.17Å; D672-S697 PolarHBondContact O-OG 2.97Å; G673-S697 WeakPolarHBondContact O-CB 3.38Å; S694-S697 PolarHBondContact N-OG 3.38Å; S694-S697 PolarHBondContact O-N 2.83Å; S694-S697 PolarHBondContact O-OG 2.98Å; S694-S697 WeakPolarHBondContact OG-CB 3.19Å; S694-S697 PolarHBondContact OG-N 3.12Å; S694-S697 VanDerWaalsContact OG-N 3.14Å; S694-S697 PolarHBondContact OG-OG 3.04Å; S694-S697 VanDerWaalsContact OG-OG 3.13Å; S697-Q699 VanDerWaalsContact C-N 3.32Å; S697-Q699 PolarHBondContact O-N 3.23Å; S697-A700 PolarHBondContact O-N 3.33Å; S697-A701 VanDerWaalsContact O-CB 3.27Å; S697-A701 WeakPolarHBondContact O-CB 3.46Å; S697-A701 PolarHBondContact O-N 3.04Å
698	K	84.8	Confident	86.4	Confident	37 Å²	37	28.8 Å²	28.8	16%	0.161	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-37.5	173.4	-70	164.6	177.2	161.5	0	113.4	K314 A688 M689 G690 G693 S694 V696 I704	K314-K698 PolarHBondContact NZ-O 3.43Å; K314-K698 VanDerWaalsContact NZ-O 3.17Å; A688-K698 HydrophobicContact CB-CB 4.48Å; A688-K698 HydrophobicContact CB-CG 4.12Å; M689-K698 WeakPolarHBondContact O-CE 3.39Å; G690-K698 VanDerWaalsContact C-CE 3.48Å; G690-K698 WeakPolarHBondContact O-CE 3.26Å; G690-K698 PolarHBondContact O-NZ 3.43Å; G693-K698 WeakPolarHBondContact O-CE 3.43Å; G693-K698 PolarHBondContact O-NZ 3.42Å; S694-K698 WeakPolarHBondContact O-CG 3.14Å; S694-K698 PolarHBondContact O-N 3.02Å; S694-K698 VanDerWaalsContact O-N 3.15Å; V696-K698 VanDerWaalsContact C-N 3.29Å; V696-K698 PolarHBondContact O-N 3.03Å; K698-I704 HydrophobicContact CB-CD1 4.1Å; K698-I704 HydrophobicContact CG-CD1 4.43Å
699	Q	81.8	Confident	86.1	Confident	61 Å²	61	31.3 Å²	31.3	29%	0.285	18%	0.176	S	C	.	.	H	α-helix	trans	-76.1	-37.7	176	-71.8	-49	-33.4	0	0	112.8	I112 K314 D695 V696 S697 A701	I112-Q699 HydrophobicContact CB-CB 4.35Å; I112-Q699 HydrophobicContact CG1-CB 4.26Å; I112-Q699 WeakPolarHBondContact CG1-O 3.38Å; I112-Q699 HydrophobicContact CG2-CB 4.24Å; K314-Q699 PolarHBondContact NZ-O 3.38Å; D695-Q699 WeakPolarHBondContact O-CG 3.29Å; D695-Q699 PolarHBondContact O-N 3.14Å; V696-Q699 PolarHBondContact O-N 3.35Å; V696-Q699 VanDerWaalsContact O-N 3.15Å; S697-Q699 VanDerWaalsContact C-N 3.32Å; S697-Q699 PolarHBondContact O-N 3.23Å; Q699-A701 VanDerWaalsContact C-N 3.31Å; Q699-A701 PolarHBondContact O-N 2.89Å
700	A	84.7	Confident	85.8	Confident	3 Å²	3	31.3 Å²	31.3	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-28.9	177.4	0	0	0	0	0	113	L680 V696 S697	L680-A700 HydrophobicContact CB-CB 4.23Å; V696-A700 WeakPolarHBondContact O-CB 3.46Å; V696-A700 PolarHBondContact O-N 2.92Å; S697-A700 PolarHBondContact O-N 3.33Å
701	A	88.9	Confident	86	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.			trans	-76.2	155	179.9	0	0	0	0	0	113.9	K314 L680 G686 A688 S697 Q699	K314-A701 WeakPolarHBondContact CD-O 3.4Å; K314-A701 PolarHBondContact NZ-O 3.43Å; L680-A701 HydrophobicContact CD2-CB 4.45Å; G686-A701 WeakPolarHBondContact O-CB 3.06Å; A688-A701 HydrophobicContact CB-CB 3.56Å; S697-A701 VanDerWaalsContact O-CB 3.27Å; S697-A701 WeakPolarHBondContact O-CB 3.46Å; S697-A701 PolarHBondContact O-N 3.04Å; Q699-A701 VanDerWaalsContact C-N 3.31Å; Q699-A701 PolarHBondContact O-N 2.89Å
702	D	89.2	Confident	86.2	Confident	18 Å²	18	26.1 Å²	26.1	10%	0.096	15%	0.15	C	C	.	.	S	Bend	trans	-89.8	-20.3	173.2	-52.8	-67.4	0	0	0	112.6	K314 H315 A318 I685 G686	K314-D702 WeakPolarHBondContact CB-O 3.3Å; K314-D702 PolarHBondContact N-O 2.97Å; H315-D702 IonicContact CD2-OD1 3.08Å; H315-D702 PolarHBondContact CD2-OD1 3.23Å; H315-D702 IonicContact NE2-OD1 2.72Å; A318-D702 HydrophobicContact CB-CB 3.86Å; I685-D702 WeakPolarHBondContact CA-OD2 3.4Å; I685-D702 HydrophobicContact CG1-CB 4.28Å; G686-D702 PolarHBondContact N-OD2 3.31Å; G686-D702 PolarHBondContact O-N 3.44Å
703	M	90.6	Very high	86.8	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.9	-175.9	-173.9	179.4	-74.7	0	0	110.6	M306 C311 L312 V313 L322 I685 G686 I687 A688	M306-M703 HydrophobicContact CE-CE 3.53Å; M306-M703 HydrophobicContact CE-SD 4.11Å; C311-M703 PolarHBondContact SG-SD 3.43Å; L312-M703 CarbonylContact O-C 3.49Å; L312-M703 WeakPolarHBondContact O-CA 3.43Å; V313-M703 HydrophobicContact CG2-CE 3.86Å; V313-M703 HydrophobicContact CG2-CG 4.48Å; L322-M703 HydrophobicContact CD2-CE 3.8Å; L322-M703 HydrophobicContact CD2-SD 3.74Å; I685-M703 HydrophobicContact CD1-CB 4.49Å; I685-M703 HydrophobicContact CD1-CE 3.75Å; I685-M703 HydrophobicContact CD1-SD 4.31Å; G686-M703 PolarHBondContact O-N 3.5Å; I687-M703 WeakPolarHBondContact CA-O 3.36Å; I687-M703 HydrophobicContact CG1-CB 4.27Å; I687-M703 HydrophobicContact CG1-SD 4.33Å; A688-M703 PolarHBondContact N-O 3.01Å
704	I	91.2	Very high	87.4	Confident	21 Å²	21	24.5 Å²	24.5	11%	0.108	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.9	-178.9	-55.4	175.8	0	0	0	109.4	L312 K314 A688 K698 L706	L312-I704 HydrophobicContact CB-CB 4.38Å; L312-I704 PolarHBondContact N-O 3.06Å; L312-I704 PolarHBondContact O-N 2.78Å; K314-I704 HydrophobicContact CD-CD1 4.11Å; K314-I704 HydrophobicContact CD-CG1 4.42Å; A688-I704 WeakPolarHBondContact O-CA 3.26Å; K698-I704 HydrophobicContact CB-CD1 4.1Å; K698-I704 HydrophobicContact CG-CD1 4.43Å; I704-L706 HydrophobicContact CG2-CD2 4.19Å; I704-L706 PolarHBondContact O-N 2.86Å
705	L	92.8	Very high	87.8	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	97.9	174.2	-52.2	-175	0	0	0	109.3	I687 A688 M689 G690 D707 D708 I713	I687-L705 HydrophobicContact CG2-CD1 3.84Å; I687-L705 HydrophobicContact CG2-CD2 3.94Å; I687-L705 HydrophobicContact CG2-CG 3.65Å; A688-L705 PolarHBondContact O-N 3.41Å; M689-L705 HydrophobicContact SD-CD1 4.16Å; G690-L705 VanDerWaalsContact CA-O 3.22Å; G690-L705 WeakPolarHBondContact CA-O 3.32Å; G690-L705 PolarHBondContact N-O 2.94Å; L705-D707 PolarHBondContact O-N 2.88Å; L705-D707 VanDerWaalsContact O-N 3.14Å; L705-D708 PolarHBondContact O-N 3.44Å; L705-I713 HydrophobicContact CD1-CD1 4.2Å; L705-I713 HydrophobicContact CD1-CG1 3.88Å
706	L	89	Confident	88.5	Confident	79 Å²	79	19.8 Å²	19.8	41%	0.414	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.5	-172.8	-60.2	178.7	0	0	0	113.4	N310 L312 I704	N310-L706 HydrophobicContact CB-CB 4.17Å; N310-L706 WeakPolarHBondContact O-CB 3.31Å; N310-L706 PolarHBondContact O-N 3.25Å; L312-L706 HydrophobicContact CB-CD1 4.21Å; L312-L706 HydrophobicContact CB-CD2 4.08Å; L312-L706 HydrophobicContact CB-CG 4.08Å; L312-L706 HydrophobicContact CD2-CD2 4.27Å; I704-L706 HydrophobicContact CG2-CD2 4.19Å; I704-L706 PolarHBondContact O-N 2.86Å
707	D	87.8	Confident	89.2	Confident	52 Å²	52	19.8 Å²	19.8	28%	0.278	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	6.1	-178.2	62	-3.1	0	0	0	114.2	N310 L705 N709 S712	N310-D707 HydrophobicContact CB-CB 3.92Å; N310-D707 WeakPolarHBondContact CB-OD2 3.38Å; N310-D707 PolarHBondContact ND2-OD2 3.15Å; L705-D707 PolarHBondContact O-N 2.88Å; L705-D707 VanDerWaalsContact O-N 3.14Å; D707-N709 PolarHBondContact O-N 2.94Å; D707-N709 VanDerWaalsContact O-N 3.1Å; D707-N709 WeakPolarHBondContact OD1-CB 3.23Å; D707-N709 PolarHBondContact OD1-N 3.01Å; D707-N709 VanDerWaalsContact OD1-N 3.16Å; D707-S712 PolarHBondContact OD1-OG 3.45Å
708	D	87.1	Confident	89.6	Confident	9 Å²	9	23.6 Å²	23.6	5%	0.048	13%	0.126	C	C	.	.			trans	53.9	23.9	-174.8	-78.5	12.8	0	0	0	114.1	R551 M689 G690 I691 A692 L705	R551-D708 IonicContact NH2-OD2 3.37Å; R551-D708 PolarHBondContact NH2-OD2 3.34Å; M689-D708 WeakPolarHBondContact CB-OD1 3.34Å; M689-D708 VanDerWaalsContact CE-C 3.46Å; M689-D708 VanDerWaalsContact CE-CA 3.47Å; M689-D708 HydrophobicContact CE-CB 3.65Å; M689-D708 WeakPolarHBondContact CE-O 3.39Å; G690-D708 PolarHBondContact N-OD1 3.18Å; I691-D708 WeakPolarHBondContact CB-OD2 3.14Å; I691-D708 PolarHBondContact N-OD1 3.35Å; A692-D708 WeakPolarHBondContact CB-OD2 3.48Å; A692-D708 PolarHBondContact N-OD2 2.75Å; L705-D708 PolarHBondContact O-N 3.44Å
709	N	85.8	Confident	90	Very high	53 Å²	53	22.6 Å²	22.6	28%	0.283	12%	0.122	S	C	.	.			trans	-98.1	114.1	-177.2	-170.5	-3.9	0	0	0	111.3	A553 D707 A711 S712	A553-N709 WeakPolarHBondContact CB-OD1 3.49Å; D707-N709 PolarHBondContact O-N 2.94Å; D707-N709 VanDerWaalsContact O-N 3.1Å; D707-N709 WeakPolarHBondContact OD1-CB 3.23Å; D707-N709 PolarHBondContact OD1-N 3.01Å; D707-N709 VanDerWaalsContact OD1-N 3.16Å; N709-A711 PolarHBondContact O-N 3.48Å; N709-A711 VanDerWaalsContact O-N 3.13Å; N709-A711 VanDerWaalsContact OD1-CB 3.3Å; N709-A711 WeakPolarHBondContact OD1-CB 3.36Å; N709-A711 PolarHBondContact OD1-N 3.11Å; N709-S712 WeakPolarHBondContact O-CB 3.36Å; N709-S712 PolarHBondContact O-N 3.2Å; N709-S712 PolarHBondContact O-OG 3.18Å
710	F	86.6	Confident	90.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.2	175.8	-162	-88.3	0	0	0	113.1	I328 T335 L336 V554 A557 V558 T670 S712 I713	I328-F710 HydrophobicContact CG2-CZ 4.44Å; T335-F710 HydrophobicContact CG2-CD2 4.48Å; L336-F710 HydrophobicContact CD2-CD2 4Å; L336-F710 HydrophobicContact CD2-CE2 3.76Å; L336-F710 HydrophobicContact CD2-CZ 4.11Å; V554-F710 HydrophobicContact CG2-CB 3.54Å; V554-F710 HydrophobicContact CG2-CG 4.11Å; A557-F710 HydrophobicContact CB-CD1 3.73Å; A557-F710 HydrophobicContact CB-CE1 4.44Å; V558-F710 HydrophobicContact CG2-CE1 4.12Å; T670-F710 HydrophobicContact CG2-CE2 4.14Å; F710-S712 PolarHBondContact O-N 3.47Å; F710-I713 HydrophobicContact CD1-CD1 4.23Å; F710-I713 HydrophobicContact CD2-CD1 3.58Å; F710-I713 HydrophobicContact CE1-CD1 4.15Å; F710-I713 HydrophobicContact CE2-CD1 3.49Å; F710-I713 VanDerWaalsContact CE2-CD1 3.49Å; F710-I713 HydrophobicContact CG-CD1 3.96Å; F710-I713 HydrophobicContact CZ-CD1 3.79Å; F710-I713 VanDerWaalsContact O-CB 3.29Å; F710-I713 WeakPolarHBondContact O-CB 3.48Å; F710-I713 WeakPolarHBondContact O-CG1 3.33Å; F710-I713 PolarHBondContact O-N 3.42Å
711	A	89.5	Confident	91.1	Very high	26 Å²	26	19.9 Å²	19.9	22%	0.215	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-22	175.2	0	0	0	0	0	113.5	A553 A557 N709 I713 V714 T715	A553-A711 HydrophobicContact CB-CB 4.19Å; A557-A711 HydrophobicContact CB-CB 4.3Å; N709-A711 PolarHBondContact O-N 3.48Å; N709-A711 VanDerWaalsContact O-N 3.13Å; N709-A711 VanDerWaalsContact OD1-CB 3.3Å; N709-A711 WeakPolarHBondContact OD1-CB 3.36Å; N709-A711 PolarHBondContact OD1-N 3.11Å; A711-I713 PolarHBondContact O-N 3.32Å; A711-V714 WeakPolarHBondContact O-CB 3.5Å; A711-V714 PolarHBondContact O-N 2.81Å; A711-V714 VanDerWaalsContact O-N 3.15Å; A711-T715 PolarHBondContact O-N 3.11Å; A711-T715 PolarHBondContact O-OG1 3.28Å
712	S	91.1	Very high	91.4	Very high	8 Å²	8	20.8 Å²	20.8	6%	0.056	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-25.4	174.1	-60.2	0	0	0	0	112	D707 N709 F710 T715 G716	D707-S712 PolarHBondContact OD1-OG 3.45Å; N709-S712 WeakPolarHBondContact O-CB 3.36Å; N709-S712 PolarHBondContact O-N 3.2Å; N709-S712 PolarHBondContact O-OG 3.18Å; F710-S712 PolarHBondContact O-N 3.47Å; S712-T715 WeakPolarHBondContact O-CB 3.4Å; S712-T715 PolarHBondContact O-N 3.42Å; S712-G716 PolarHBondContact O-N 3.07Å
713	I	92.3	Very high	91.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-44.2	172.9	-59.6	175.5	0	0	0	110.5	L322 I328 T670 I687 L705 F710 A711 T715 G716 V717	L322-I713 HydrophobicContact CD1-CG2 4.21Å; I328-I713 HydrophobicContact CD1-CG2 4.14Å; T670-I713 HydrophobicContact CG2-CD1 3.4Å; T670-I713 VanDerWaalsContact CG2-CD1 3.4Å; I687-I713 HydrophobicContact CD1-CD1 4.34Å; I687-I713 HydrophobicContact CD1-CG1 4.24Å; I687-I713 HydrophobicContact CD1-CG2 4.42Å; L705-I713 HydrophobicContact CD1-CD1 4.2Å; L705-I713 HydrophobicContact CD1-CG1 3.88Å; F710-I713 HydrophobicContact CD1-CD1 4.23Å; F710-I713 HydrophobicContact CD2-CD1 3.58Å; F710-I713 HydrophobicContact CE1-CD1 4.15Å; F710-I713 HydrophobicContact CE2-CD1 3.49Å; F710-I713 VanDerWaalsContact CE2-CD1 3.49Å; F710-I713 HydrophobicContact CG-CD1 3.96Å; F710-I713 HydrophobicContact CZ-CD1 3.79Å; F710-I713 VanDerWaalsContact O-CB 3.29Å; F710-I713 WeakPolarHBondContact O-CB 3.48Å; F710-I713 WeakPolarHBondContact O-CG1 3.33Å; F710-I713 PolarHBondContact O-N 3.42Å; A711-I713 PolarHBondContact O-N 3.32Å; I713-T715 VanDerWaalsContact C-N 3.28Å; I713-T715 PolarHBondContact O-N 2.92Å; I713-G716 CarbonylContact O-C 3.07Å; I713-G716 WeakPolarHBondContact O-CA 3.36Å; I713-G716 PolarHBondContact O-N 3.4Å; I713-V717 HydrophobicContact CG2-CG2 4.48Å; I713-V717 WeakPolarHBondContact O-CG2 3.35Å; I713-V717 PolarHBondContact O-N 2.96Å
714	V	94.1	Very high	91.8	Very high	13 Å²	13	20.5 Å²	20.5	8%	0.079	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-43.9	177.7	-177.8	0	0	0	0	110.5	A557 K560 A711 G716 V717 E718 M787	A557-V714 HydrophobicContact CB-CG2 3.8Å; K560-V714 HydrophobicContact CB-CG1 3.86Å; K560-V714 HydrophobicContact CB-CG2 4.16Å; K560-V714 HydrophobicContact CD-CG1 3.95Å; A711-V714 WeakPolarHBondContact O-CB 3.5Å; A711-V714 PolarHBondContact O-N 2.81Å; A711-V714 VanDerWaalsContact O-N 3.15Å; V714-G716 VanDerWaalsContact C-N 3.3Å; V714-G716 PolarHBondContact O-N 3.4Å; V714-V717 PolarHBondContact O-N 3.21Å; V714-E718 PolarHBondContact O-N 2.63Å; V714-M787 HydrophobicContact CG1-CE 3.62Å
715	T	92	Very high	92	Very high	36 Å²	36	20.4 Å²	20.4	22%	0.221	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-41.9	174.1	-59.2	0	0	0	0	111.3	K309 A711 S712 I713 E718 E719	K309-T715 HydrophobicContact CB-CG2 4.39Å; K309-T715 HydrophobicContact CD-CG2 3.31Å; K309-T715 HydrophobicContact CG-CG2 4.48Å; A711-T715 PolarHBondContact O-N 3.11Å; A711-T715 PolarHBondContact O-OG1 3.28Å; S712-T715 WeakPolarHBondContact O-CB 3.4Å; S712-T715 PolarHBondContact O-N 3.42Å; I713-T715 VanDerWaalsContact C-N 3.28Å; I713-T715 PolarHBondContact O-N 2.92Å; T715-E718 WeakPolarHBondContact O-CB 3.34Å; T715-E718 PolarHBondContact O-N 3.36Å; T715-E719 WeakPolarHBondContact O-CG 3.26Å; T715-E719 PolarHBondContact O-N 3.27Å
716	G	92.5	Very high	92.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.5	-36.2	177.4	0	0	0	0	0	113.6	M306 L322 S712 I713 V714 E718 G720	M306-G716 VanDerWaalsContact CE-CA 3.49Å; L322-G716 VanDerWaalsContact CD2-C 3.48Å; S712-G716 PolarHBondContact O-N 3.07Å; I713-G716 CarbonylContact O-C 3.07Å; I713-G716 WeakPolarHBondContact O-CA 3.36Å; I713-G716 PolarHBondContact O-N 3.4Å; V714-G716 VanDerWaalsContact C-N 3.3Å; V714-G716 PolarHBondContact O-N 3.4Å; G716-E718 VanDerWaalsContact C-N 3.33Å; G716-G720 PolarHBondContact O-N 3.07Å
717	V	94.9	Very high	92.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.7	-42.9	172.2	172.9	0	0	0	0	110.3	L322 I566 I713 V714 R721 M787	L322-V717 HydrophobicContact CD1-CG2 4.02Å; L322-V717 HydrophobicContact CG-CG2 3.95Å; I566-V717 HydrophobicContact CD1-CG1 3.85Å; I566-V717 HydrophobicContact CD1-CG2 3.88Å; I713-V717 HydrophobicContact CG2-CG2 4.48Å; I713-V717 WeakPolarHBondContact O-CG2 3.35Å; I713-V717 PolarHBondContact O-N 2.96Å; V714-V717 PolarHBondContact O-N 3.21Å; V717-R721 VanDerWaalsContact O-CB 3.3Å; V717-R721 WeakPolarHBondContact O-CB 3.46Å; V717-R721 VanDerWaalsContact O-CG 3.25Å; V717-R721 WeakPolarHBondContact O-CG 3.48Å; V717-R721 PolarHBondContact O-N 2.92Å; V717-M787 HydrophobicContact CB-CE 4.49Å; V717-M787 HydrophobicContact CG1-CE 4.19Å; V717-M787 HydrophobicContact CG1-SD 4.05Å
718	E	94.7	Very high	92.6	Very high	79 Å²	79	14.7 Å²	14.7	37%	0.369	8%	0.08	S	C	.	.	H	α-helix	trans	-61.9	-52.4	177.3	-171.9	-178.9	-177	0	0	111.6	V714 T715 G716 G720 R721 L722 I786 M787	V714-E718 PolarHBondContact O-N 2.63Å; T715-E718 WeakPolarHBondContact O-CB 3.34Å; T715-E718 PolarHBondContact O-N 3.36Å; G716-E718 VanDerWaalsContact C-N 3.33Å; E718-G720 VanDerWaalsContact C-N 3.34Å; E718-G720 PolarHBondContact O-N 3.4Å; E718-R721 PolarHBondContact O-N 2.81Å; E718-L722 WeakPolarHBondContact O-CB 3.24Å; E718-L722 PolarHBondContact O-N 3.25Å; E718-I786 HydrophobicContact CG-CD1 3.69Å; E718-I786 HydrophobicContact CG-CG1 4.1Å; E718-I786 WeakPolarHBondContact O-CD1 3.4Å; E718-M787 HydrophobicContact CB-CG 4.31Å; E718-M787 HydrophobicContact CB-SD 3.89Å; E718-M787 HydrophobicContact CG-CG 4.28Å; E718-M787 HydrophobicContact CG-SD 4.43Å
719	E	93.7	Very high	93	Very high	17 Å²	17	14.3 Å²	14.3	8%	0.079	8%	0.078	C	C	.	.	H	α-helix	trans	-63.7	-38.3	178.5	-65	-74.1	169.6	0	0	111.9	T302 R305 M306 K309 T715 L722 I723	T302-E719 HydrophobicContact CG2-CB 4.15Å; R305-E719 IonicContact CZ-OE2 3.17Å; R305-E719 IonicContact NE-OE2 2.78Å; M306-E719 HydrophobicContact CG-CB 4.11Å; M306-E719 HydrophobicContact CG-CG 4.15Å; M306-E719 HydrophobicContact SD-CB 4.23Å; K309-E719 IonicContact NZ-OE1 3.64Å; K309-E719 PolarHBondContact NZ-OE1 3.37Å; T715-E719 WeakPolarHBondContact O-CG 3.26Å; T715-E719 PolarHBondContact O-N 3.27Å; E719-L722 PolarHBondContact O-N 3.22Å; E719-I723 WeakPolarHBondContact O-CG2 3.16Å; E719-I723 PolarHBondContact O-N 2.7Å
720	G	93.9	Very high	93.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.5	-42.3	176	0	0	0	0	0	112.9	V319 G716 E718 I723 F724	V319-G720 WeakPolarHBondContact O-CA 3.44Å; G716-G720 PolarHBondContact O-N 3.07Å; E718-G720 VanDerWaalsContact C-N 3.34Å; E718-G720 PolarHBondContact O-N 3.4Å; G720-I723 VanDerWaalsContact O-CG2 3.23Å; G720-I723 WeakPolarHBondContact O-CG2 3.45Å; G720-F724 PolarHBondContact O-N 3.49Å
721	R	94.9	Very high	93.7	Very high	6 Å²	6	11.9 Å²	11.9	2%	0.023	7%	0.065	C	C	.	.	H	α-helix	trans	-66.8	-39.4	174.8	-80.5	176.9	-176.3	-159.6	2.1	111.8	G323 A564 V717 E718 D725 I786 R789	G323-R721 VanDerWaalsContact O-CG 3.29Å; G323-R721 WeakPolarHBondContact O-CG 3.4Å; G323-R721 PolarHBondContact O-NE 2.95Å; A564-R721 PolarHBondContact O-NH2 2.84Å; V717-R721 VanDerWaalsContact O-CB 3.3Å; V717-R721 WeakPolarHBondContact O-CB 3.46Å; V717-R721 VanDerWaalsContact O-CG 3.25Å; V717-R721 WeakPolarHBondContact O-CG 3.48Å; V717-R721 PolarHBondContact O-N 2.92Å; E718-R721 PolarHBondContact O-N 2.81Å; R721-D725 PolarHBondContact O-N 3.34Å; R721-I786 HydrophobicContact CB-CB 4.44Å; R721-I786 HydrophobicContact CB-CD1 4.07Å; R721-I786 WeakPolarHBondContact CD-O 3.18Å; R721-I786 PolarHBondContact NH1-O 3.26Å; R721-R789 PolarHBondContact NH1-O 3.48Å; R721-R789 PolarHBondContact O-NH2 2.94Å; R721-R789 VanDerWaalsContact O-NH2 3.11Å
722	L	95.3	Very high	93.9	Very high	19 Å²	19	10.7 Å²	10.7	10%	0.099	6%	0.055	C	C	.	.	H	α-helix	trans	-65.8	-47.5	177.9	-180	61.5	0	0	0	111.4	E718 E719 F724 D725 N726 I786	E718-L722 WeakPolarHBondContact O-CB 3.24Å; E718-L722 PolarHBondContact O-N 3.25Å; E719-L722 PolarHBondContact O-N 3.22Å; L722-F724 VanDerWaalsContact C-N 3.31Å; L722-F724 PolarHBondContact O-N 2.83Å; L722-D725 PolarHBondContact O-N 2.83Å; L722-N726 WeakPolarHBondContact O-CB 3.23Å; L722-N726 PolarHBondContact O-N 3.33Å; L722-I786 HydrophobicContact CB-CD1 4.03Å
723	I	94.8	Very high	94.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.3	-35.5	-179	-168.8	53.9	0	0	0	111.8	C298 L299 T302 V319 E320 E719 G720 D725 N726 L727 A778	C298-I723 HydrophobicContact CB-CD1 4.14Å; L299-I723 HydrophobicContact CD2-CG1 4.08Å; T302-I723 HydrophobicContact CG2-CB 4.16Å; T302-I723 HydrophobicContact CG2-CG2 4.47Å; T302-I723 WeakPolarHBondContact OG1-CD1 3.47Å; V319-I723 HydrophobicContact CG1-CG2 4.08Å; E320-I723 HydrophobicContact CB-CG2 4.37Å; E719-I723 WeakPolarHBondContact O-CG2 3.16Å; E719-I723 PolarHBondContact O-N 2.7Å; G720-I723 VanDerWaalsContact O-CG2 3.23Å; G720-I723 WeakPolarHBondContact O-CG2 3.45Å; I723-D725 PolarHBondContact O-N 3.13Å; I723-N726 PolarHBondContact O-N 2.96Å; I723-L727 HydrophobicContact CD1-CG 4.14Å; I723-L727 HydrophobicContact CG1-CD1 4.17Å; I723-L727 HydrophobicContact CG1-CG 4.13Å; I723-L727 WeakPolarHBondContact O-CB 3.31Å; I723-L727 VanDerWaalsContact O-CG 3.24Å; I723-L727 WeakPolarHBondContact O-CG 3.37Å; I723-L727 PolarHBondContact O-N 3.04Å; I723-A778 HydrophobicContact CD1-CB 4.4Å
724	F	94.2	Very high	94.2	Very high	12 Å²	12	10.5 Å²	10.5	5%	0.053	5%	0.053	C	C	.	.	H	α-helix	trans	-59.8	-46.7	174.7	-175.1	-96.8	0	0	0	112	E320 G720 L722 L727 K728 R792 L799	E320-F724 HydrophobicContact CG-CB 4.26Å; E320-F724 HydrophobicContact CG-CD2 4.03Å; E320-F724 VanDerWaalsContact OE1-CD2 3.25Å; E320-F724 WeakPolarHBondContact OE1-CD2 3.28Å; G720-F724 PolarHBondContact O-N 3.49Å; L722-F724 VanDerWaalsContact C-N 3.31Å; L722-F724 PolarHBondContact O-N 2.83Å; F724-L727 PolarHBondContact O-N 3.45Å; F724-K728 HydrophobicContact CE1-CD 4.34Å; F724-K728 PolarHBondContact O-N 2.95Å; F724-K728 VanDerWaalsContact O-N 3.17Å; F724-R792 VanDerWaalsContact CE2-CZ 3.42Å; F724-L799 HydrophobicContact CD2-CD1 3.97Å; F724-L799 HydrophobicContact CE2-CB 4.04Å; F724-L799 HydrophobicContact CE2-CD1 3.73Å; F724-L799 HydrophobicContact CE2-CG 4.49Å; F724-L799 HydrophobicContact CZ-CB 4.27Å; F724-L799 HydrophobicContact CZ-CD1 4.17Å
725	D	94.1	Very high	94.1	Very high	20 Å²	20	9.9 Å²	9.9	11%	0.107	5%	0.05	C	C	.	.	H	α-helix	trans	-66.7	-37.4	177.4	-72.1	-36.5	0	0	0	112.2	R721 L722 I723 K728 K729 R789 R895	R721-D725 PolarHBondContact O-N 3.34Å; L722-D725 PolarHBondContact O-N 2.83Å; I723-D725 PolarHBondContact O-N 3.13Å; D725-K728 WeakPolarHBondContact O-CB 3.24Å; D725-K728 PolarHBondContact O-N 3.4Å; D725-K729 WeakPolarHBondContact O-CG 3.46Å; D725-K729 PolarHBondContact O-N 2.85Å; D725-R789 IonicContact OD1-NH1 2.84Å; D725-R789 IonicContact OD1-NH2 3.82Å; D725-R789 IonicContact OD2-CZ 2.61Å; D725-R789 IonicContact OD2-NH1 3.54Å; D725-R789 PolarHBondContact OD2-NH1 3.38Å; D725-R789 IonicContact OD2-NH2 2.67Å; D725-R789 PolarHBondContact OD2-NH2 3.04Å; D725-R895 IonicContact OD1-CZ 3.05Å; D725-R895 IonicContact OD1-NH1 3.97Å; D725-R895 PolarHBondContact OD1-NH1 3.39Å
726	N	95.3	Very high	94.2	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-72.3	-32.9	178	-70.9	-6.5	0	0	0	112.6	L722 I723 K728 K729 S730 A778 E780	L722-N726 WeakPolarHBondContact O-CB 3.23Å; L722-N726 PolarHBondContact O-N 3.33Å; I723-N726 PolarHBondContact O-N 2.96Å; N726-K728 VanDerWaalsContact C-N 3.34Å; N726-K729 WeakPolarHBondContact O-CB 3.44Å; N726-K729 PolarHBondContact O-N 3.13Å; N726-S730 WeakPolarHBondContact O-CB 3.04Å; N726-S730 PolarHBondContact O-N 3.44Å; N726-A778 PolarHBondContact ND2-O 3.29Å; N726-E780 PolarHBondContact ND2-O 3.39Å
727	L	94.1	Very high	94.3	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-64.6	-38.8	171.8	-76	174.8	0	0	0	111	I239 V295 C298 L299 I723 F724 K729 S730 I731 L799	I239-L727 HydrophobicContact CD1-CD1 4.09Å; V295-L727 HydrophobicContact CB-CD2 4.33Å; V295-L727 HydrophobicContact CG1-CD2 4.07Å; V295-L727 HydrophobicContact CG2-CD2 4.15Å; C298-L727 HydrophobicContact CB-CD2 3.81Å; L299-L727 HydrophobicContact CD2-CD1 4.25Å; I723-L727 HydrophobicContact CD1-CG 4.14Å; I723-L727 HydrophobicContact CG1-CD1 4.17Å; I723-L727 HydrophobicContact CG1-CG 4.13Å; I723-L727 WeakPolarHBondContact O-CB 3.31Å; I723-L727 VanDerWaalsContact O-CG 3.24Å; I723-L727 WeakPolarHBondContact O-CG 3.37Å; I723-L727 PolarHBondContact O-N 3.04Å; F724-L727 PolarHBondContact O-N 3.45Å; L727-K729 VanDerWaalsContact C-N 3.31Å; L727-K729 PolarHBondContact O-N 3.4Å; L727-S730 PolarHBondContact O-N 2.78Å; L727-I731 WeakPolarHBondContact O-CB 3.44Å; L727-I731 WeakPolarHBondContact O-CD1 3.26Å; L727-I731 WeakPolarHBondContact O-CG1 3.47Å; L727-I731 PolarHBondContact O-N 3.35Å; L727-L799 HydrophobicContact CB-CD1 3.99Å
728	K	94.4	Very high	94.1	Very high	9 Å²	9	8.2 Å²	8.2	4%	0.039	4%	0.039	C	C	.	.	H	α-helix	trans	-57.8	-43.3	171.4	-70.8	-167.1	163.9	-165	0	112.5	F724 D725 N726 A732 K798 L799 L804 Y979	F724-K728 HydrophobicContact CE1-CD 4.34Å; F724-K728 PolarHBondContact O-N 2.95Å; F724-K728 VanDerWaalsContact O-N 3.17Å; D725-K728 WeakPolarHBondContact O-CB 3.24Å; D725-K728 PolarHBondContact O-N 3.4Å; N726-K728 VanDerWaalsContact C-N 3.34Å; K728-A732 VanDerWaalsContact O-CB 3.26Å; K728-A732 WeakPolarHBondContact O-CB 3.37Å; K728-A732 PolarHBondContact O-N 3.21Å; K728-K798 WeakPolarHBondContact CE-O 3.16Å; K728-K798 PolarHBondContact NZ-O 3.36Å; K728-L799 VanDerWaalsContact CE-O 3.28Å; K728-L799 WeakPolarHBondContact CE-O 3.39Å; K728-L799 HydrophobicContact CG-CD1 3.87Å; K728-L799 WeakPolarHBondContact CG-O 3.5Å; K728-L804 HydrophobicContact CB-CD1 4.5Å; K728-Y979 PolarHBondContact NZ-OXT 3.2Å
729	K	94.7	Very high	94.1	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.009	3%	0.029	C	C	.	.	H	α-helix	trans	-63.6	-48.2	177.7	-64.2	173.9	-174.9	-177.4	0	111.2	D725 N726 L727 A732 Y733 L777 E783 S892 K893 R895	D725-K729 WeakPolarHBondContact O-CG 3.46Å; D725-K729 PolarHBondContact O-N 2.85Å; N726-K729 WeakPolarHBondContact O-CB 3.44Å; N726-K729 PolarHBondContact O-N 3.13Å; L727-K729 VanDerWaalsContact C-N 3.31Å; L727-K729 PolarHBondContact O-N 3.4Å; K729-A732 PolarHBondContact O-N 2.95Å; K729-Y733 PolarHBondContact O-N 2.79Å; K729-L777 HydrophobicContact CB-CD1 4.49Å; K729-E783 VanDerWaalsContact CE-OE1 3.23Å; K729-E783 WeakPolarHBondContact CE-OE1 3.32Å; K729-E783 IonicContact NZ-OE1 3.15Å; K729-E783 PolarHBondContact NZ-OE1 3.12Å; K729-S892 VanDerWaalsContact CB-O 3.29Å; K729-S892 WeakPolarHBondContact CB-O 3.39Å; K729-S892 WeakPolarHBondContact CD-O 3.26Å; K729-S892 WeakPolarHBondContact CG-O 3.47Å; K729-K893 WeakPolarHBondContact CD-O 3.4Å; K729-K893 VanDerWaalsContact CE-O 3.3Å; K729-K893 WeakPolarHBondContact CE-O 3.5Å; K729-K893 PolarHBondContact NZ-O 3.33Å; K729-R895 HydrophobicContact CG-CG 4.24Å
730	S	94.9	Very high	94.2	Very high	1 Å²	1	5 Å²	5	1%	0.007	3%	0.025	C	C	.	.	H	α-helix	trans	-60.9	-45.8	178.7	-171.8	0	0	0	0	112	T294 N726 L727 Y733 T734 A774	T294-S730 VanDerWaalsContact CG2-OG 3.29Å; T294-S730 WeakPolarHBondContact CG2-OG 3.38Å; N726-S730 WeakPolarHBondContact O-CB 3.04Å; N726-S730 PolarHBondContact O-N 3.44Å; L727-S730 PolarHBondContact O-N 2.78Å; S730-Y733 PolarHBondContact O-N 3.49Å; S730-T734 PolarHBondContact O-N 3.45Å; S730-T734 VanDerWaalsContact O-N 3.12Å; S730-T734 PolarHBondContact O-OG1 2.95Å; S730-A774 PolarHBondContact OG-O 3.1Å
731	I	93	Very high	94.1	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.025	C	C	.	.	H	α-helix	trans	-65.6	-43.1	176.6	-67.8	161.7	0	0	0	111.3	F246 L291 L727 Y733 T734 L735 L799 V800	F246-I731 HydrophobicContact CE2-CG2 4.46Å; L291-I731 HydrophobicContact CD1-CB 4.41Å; L291-I731 HydrophobicContact CD1-CG1 3.79Å; L291-I731 HydrophobicContact CD2-CG1 4.31Å; L291-I731 HydrophobicContact CD2-CG2 4.38Å; L727-I731 WeakPolarHBondContact O-CB 3.44Å; L727-I731 WeakPolarHBondContact O-CD1 3.26Å; L727-I731 WeakPolarHBondContact O-CG1 3.47Å; L727-I731 PolarHBondContact O-N 3.35Å; I731-Y733 VanDerWaalsContact C-N 3.31Å; I731-Y733 PolarHBondContact O-N 2.7Å; I731-T734 PolarHBondContact O-N 3.19Å; I731-L735 HydrophobicContact CG2-CD1 3.52Å; I731-L735 HydrophobicContact CG2-CG 3.94Å; I731-L735 VanDerWaalsContact O-CB 3.26Å; I731-L735 WeakPolarHBondContact O-CB 3.49Å; I731-L735 VanDerWaalsContact O-CG 3.24Å; I731-L735 WeakPolarHBondContact O-CG 3.13Å; I731-L735 PolarHBondContact O-N 2.87Å; I731-L799 HydrophobicContact CD1-CD1 4.22Å; I731-L799 HydrophobicContact CD1-CD2 3.49Å; I731-L799 VanDerWaalsContact CD1-CD2 3.49Å; I731-L799 HydrophobicContact CD1-CG 3.72Å; I731-V800 HydrophobicContact CD1-CG2 4.31Å; I731-V800 HydrophobicContact CG2-CG2 3.71Å
732	A	94	Very high	93.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.5	-41.2	177.9	0	0	0	0	0	112.1	K728 K729 T736 L804 Y979	K728-A732 VanDerWaalsContact O-CB 3.26Å; K728-A732 WeakPolarHBondContact O-CB 3.37Å; K728-A732 PolarHBondContact O-N 3.21Å; K729-A732 PolarHBondContact O-N 2.95Å; A732-T736 WeakPolarHBondContact O-CB 3.41Å; A732-T736 PolarHBondContact O-N 3.03Å; A732-T736 VanDerWaalsContact O-N 3.12Å; A732-T736 PolarHBondContact O-OG1 3.06Å; A732-L804 HydrophobicContact CB-CD1 4.31Å; A732-L804 HydrophobicContact CB-CD2 4.12Å; A732-L804 HydrophobicContact CB-CG 4.13Å; A732-Y979 HydrophobicContact CB-CE2 3.9Å
733	Y	95.1	Very high	93.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-59.8	-54.1	174.9	170.8	-95.8	0	0	0	111.8	K729 S730 I731 L735 T736 D770 P773 A774 L777 Q885 D888 L889	K729-Y733 PolarHBondContact O-N 2.79Å; S730-Y733 PolarHBondContact O-N 3.49Å; I731-Y733 VanDerWaalsContact C-N 3.31Å; I731-Y733 PolarHBondContact O-N 2.7Å; Y733-L735 VanDerWaalsContact C-N 3.33Å; Y733-L735 PolarHBondContact O-N 3.38Å; Y733-T736 PolarHBondContact O-N 3.38Å; Y733-D770 HydrophobicContact CE1-CB 3.95Å; Y733-D770 PolarHBondContact OH-OD1 3.12Å; Y733-P773 HydrophobicContact CE1-CB 3.82Å; Y733-P773 HydrophobicContact CE2-CB 4.39Å; Y733-P773 WeakPolarHBondContact OH-CB 3.4Å; Y733-A774 HydrophobicContact CD1-CB 3.8Å; Y733-A774 HydrophobicContact CE1-CB 4.09Å; Y733-L777 HydrophobicContact CG-CD1 4.17Å; Y733-Q885 HydrophobicContact CE2-CB 4.19Å; Y733-Q885 HydrophobicContact CE2-CG 4.47Å; Y733-D888 WeakPolarHBondContact CA-OD2 3.35Å; Y733-D888 HydrophobicContact CD2-CB 4.26Å; Y733-D888 VanDerWaalsContact CD2-OD2 3.26Å; Y733-D888 WeakPolarHBondContact CD2-OD2 3.48Å; Y733-D888 HydrophobicContact CE2-CB 4.42Å; Y733-L889 HydrophobicContact CD2-CB 4.13Å; Y733-L889 HydrophobicContact CD2-CD1 4.21Å; Y733-L889 HydrophobicContact CE2-CB 3.78Å; Y733-L889 HydrophobicContact CE2-CD1 4.18Å
734	T	93.1	Very high	93.7	Very high	4 Å²	4	4.7 Å²	4.7	3%	0.025	3%	0.025	C	C	.	.	H	α-helix	trans	-65.4	-35	-179	-54.6	0	0	0	0	112.7	P288 L291 S730 I731 T736 S737 N738	P288-T734 HydrophobicContact CB-CG2 4.05Å; L291-T734 HydrophobicContact CB-CG2 4.26Å; L291-T734 HydrophobicContact CD1-CG2 4.29Å; S730-T734 PolarHBondContact O-N 3.45Å; S730-T734 VanDerWaalsContact O-N 3.12Å; S730-T734 PolarHBondContact O-OG1 2.95Å; I731-T734 PolarHBondContact O-N 3.19Å; T734-T736 VanDerWaalsContact C-N 3.29Å; T734-T736 PolarHBondContact O-N 3.41Å; T734-S737 PolarHBondContact O-OG 3.46Å; T734-N738 PolarHBondContact O-OD1 3.38Å
735	L	92.4	Very high	93.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-71.8	-25	177.9	-75	-177.6	0	0	0	112.7	F246 I250 P288 I731 Y733 S737 N738 L804 A808 Y809	F246-L735 HydrophobicContact CE2-CD1 3.97Å; F246-L735 HydrophobicContact CE2-CD2 4.05Å; F246-L735 HydrophobicContact CE2-CG 4.48Å; F246-L735 HydrophobicContact CZ-CD2 4.2Å; I250-L735 HydrophobicContact CD1-CD2 3.96Å; P288-L735 HydrophobicContact CG-CD2 4.38Å; I731-L735 HydrophobicContact CG2-CD1 3.52Å; I731-L735 HydrophobicContact CG2-CG 3.94Å; I731-L735 VanDerWaalsContact O-CB 3.26Å; I731-L735 WeakPolarHBondContact O-CB 3.49Å; I731-L735 VanDerWaalsContact O-CG 3.24Å; I731-L735 WeakPolarHBondContact O-CG 3.13Å; I731-L735 PolarHBondContact O-N 2.87Å; Y733-L735 VanDerWaalsContact C-N 3.33Å; Y733-L735 PolarHBondContact O-N 3.38Å; L735-S737 VanDerWaalsContact C-N 3.34Å; L735-S737 PolarHBondContact O-N 3.38Å; L735-N738 PolarHBondContact O-N 3.24Å; L735-L804 HydrophobicContact CD1-CD2 3.78Å; L735-A808 HydrophobicContact CB-CB 4.31Å; L735-Y809 HydrophobicContact CB-CD1 4.32Å; L735-Y809 HydrophobicContact CB-CE1 3.75Å; L735-Y809 HydrophobicContact CD2-CE1 4.02Å; L735-Y809 HydrophobicContact CG-CE1 4.34Å; L735-Y809 VanDerWaalsContact O-CD1 3.31Å; L735-Y809 WeakPolarHBondContact O-CD1 3.34Å; L735-Y809 WeakPolarHBondContact O-CE1 3.41Å
736	T	94.5	Very high	93.2	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-68.6	-35.3	-177.4	-63.2	0	0	0	0	111.8	A732 Y733 T734 N738 P740 A808 I812 G813 Q816	A732-T736 WeakPolarHBondContact O-CB 3.41Å; A732-T736 PolarHBondContact O-N 3.03Å; A732-T736 VanDerWaalsContact O-N 3.12Å; A732-T736 PolarHBondContact O-OG1 3.06Å; Y733-T736 PolarHBondContact O-N 3.38Å; T734-T736 VanDerWaalsContact C-N 3.29Å; T734-T736 PolarHBondContact O-N 3.41Å; T736-N738 VanDerWaalsContact C-N 3.33Å; T736-N738 PolarHBondContact O-N 2.89Å; T736-P740 WeakPolarHBondContact O-CD 3.39Å; T736-A808 WeakPolarHBondContact OG1-CB 3.11Å; T736-I812 HydrophobicContact CG2-CB 3.64Å; T736-I812 HydrophobicContact CG2-CG2 3.42Å; T736-I812 VanDerWaalsContact CG2-CG2 3.42Å; T736-G813 WeakPolarHBondContact O-CA 3.43Å; T736-Q816 HydrophobicContact CG2-CG 4.32Å; T736-Q816 PolarHBondContact O-OE1 3.13Å
737	S	93.8	Very high	92.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-71.7	-18	177.1	37.7	0	0	0	0	114.5	T734 L735 I739 P740 E741 D770 Q885	T734-S737 PolarHBondContact O-OG 3.46Å; L735-S737 VanDerWaalsContact C-N 3.34Å; L735-S737 PolarHBondContact O-N 3.38Å; S737-I739 VanDerWaalsContact C-N 3.28Å; S737-I739 PolarHBondContact O-N 3.1Å; S737-P740 WeakPolarHBondContact O-CD 3.39Å; S737-P740 WeakPolarHBondContact O-CG 3.2Å; S737-E741 VanDerWaalsContact O-CG 3.24Å; S737-E741 WeakPolarHBondContact O-CG 3.39Å; S737-E741 PolarHBondContact O-N 3.46Å; S737-D770 WeakPolarHBondContact CB-OD2 3.29Å; S737-D770 PolarHBondContact OG-OD2 3.03Å; S737-Q885 PolarHBondContact OG-NE2 3.33Å
738	N	91.8	Very high	92.7	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-61.4	-33.8	177.1	-69.6	17.1	0	0	0	112.8	N286 T734 L735 T736 E741 I742 Y809	N286-N738 PolarHBondContact O-ND2 3.29Å; T734-N738 PolarHBondContact O-OD1 3.38Å; L735-N738 PolarHBondContact O-N 3.24Å; T736-N738 VanDerWaalsContact C-N 3.33Å; T736-N738 PolarHBondContact O-N 2.89Å; N738-E741 PolarHBondContact O-N 3.13Å; N738-I742 HydrophobicContact CB-CD1 4.24Å; N738-I742 WeakPolarHBondContact O-CB 3.45Å; N738-I742 VanDerWaalsContact O-CD1 3.32Å; N738-I742 WeakPolarHBondContact O-CD1 3.01Å; N738-I742 WeakPolarHBondContact O-CG1 3.4Å; N738-I742 PolarHBondContact O-N 3.15Å; N738-Y809 HydrophobicContact CB-CE1 4.19Å; N738-Y809 PolarHBondContact ND2-OH 2.82Å
739	I	94	Very high	92.2	Very high	28 Å²	28	8.8 Å²	8.8	14%	0.144	5%	0.045	C	C	.	.	H	α-helix	trans	-68.2	-49	-178.7	-61.6	-60.4	0	0	0	113.6	S737 E741 I742 S743 Y809 G813 A817	S737-I739 VanDerWaalsContact C-N 3.28Å; S737-I739 PolarHBondContact O-N 3.1Å; I739-E741 PolarHBondContact O-N 3.23Å; I739-I742 PolarHBondContact O-N 3.21Å; I739-S743 VanDerWaalsContact O-CB 3.27Å; I739-S743 WeakPolarHBondContact O-CB 3.42Å; I739-S743 PolarHBondContact O-N 3Å; I739-S743 PolarHBondContact O-OG 3.47Å; I739-Y809 HydrophobicContact CD1-CD1 4.35Å; I739-Y809 HydrophobicContact CD1-CD2 3.85Å; I739-Y809 HydrophobicContact CD1-CE2 4.44Å; I739-Y809 HydrophobicContact CD1-CG 3.78Å; I739-Y809 HydrophobicContact CG1-CD1 4.2Å; I739-Y809 HydrophobicContact CG1-CG 3.99Å; I739-G813 WeakPolarHBondContact CG2-O 3.28Å; I739-A817 HydrophobicContact CG2-CB 4.11Å
740	P	95.2	Very high	91.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.6	-14	171.5	24	-33.4	0	0	0	113.5	T736 S737 P744 Q816 A817 F877 I881	T736-P740 WeakPolarHBondContact O-CD 3.39Å; S737-P740 WeakPolarHBondContact O-CD 3.39Å; S737-P740 WeakPolarHBondContact O-CG 3.2Å; P740-P744 WeakPolarHBondContact O-CD 3.18Å; P740-P744 WeakPolarHBondContact O-CG 3.46Å; P740-Q816 HydrophobicContact CB-CB 4.23Å; P740-Q816 HydrophobicContact CG-CB 3.78Å; P740-A817 HydrophobicContact CB-CB 4.31Å; P740-F877 HydrophobicContact CB-CE1 4.21Å; P740-F877 WeakPolarHBondContact O-CE1 3.3Å; P740-I881 HydrophobicContact CB-CD1 3.99Å; P740-I881 HydrophobicContact CB-CG1 3.94Å; P740-I881 HydrophobicContact CG-CD1 4.33Å; P740-I881 HydrophobicContact CG-CG1 4.23Å
741	E	92.7	Very high	91.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-91.4	-37.9	176.1	-66.9	171.2	-177.3	0	0	113.8	S737 N738 I739 P744 L757 I762 I765 I881	S737-E741 VanDerWaalsContact O-CG 3.24Å; S737-E741 WeakPolarHBondContact O-CG 3.39Å; S737-E741 PolarHBondContact O-N 3.46Å; N738-E741 PolarHBondContact O-N 3.13Å; I739-E741 PolarHBondContact O-N 3.23Å; E741-P744 WeakPolarHBondContact O-CD 3.3Å; E741-L757 HydrophobicContact CB-CD2 4.41Å; E741-L757 HydrophobicContact CG-CD2 4.11Å; E741-I762 HydrophobicContact CB-CD1 4.05Å; E741-I762 HydrophobicContact CB-CG1 4.06Å; E741-I762 HydrophobicContact CG-CG1 4.07Å; E741-I762 HydrophobicContact CG-CG2 4.45Å; E741-I765 HydrophobicContact CG-CD1 4.32Å; E741-I765 VanDerWaalsContact OE1-CG2 3.27Å; E741-I765 WeakPolarHBondContact OE1-CG2 3.24Å; E741-I881 HydrophobicContact CG-CD1 4.26Å
742	I	91.3	Very high	91.4	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-72.8	-45.7	176.1	-65.5	159.1	0	0	0	110.6	A285 N286 N738 I739 F745 L746	A285-I742 HydrophobicContact CB-CG1 3.81Å; A285-I742 VanDerWaalsContact O-CG1 3.26Å; A285-I742 WeakPolarHBondContact O-CG1 3.28Å; N286-I742 HydrophobicContact CB-CD1 4.36Å; N286-I742 WeakPolarHBondContact ND2-CD1 3.38Å; N286-I742 WeakPolarHBondContact OD1-CD1 3.43Å; N738-I742 HydrophobicContact CB-CD1 4.24Å; N738-I742 WeakPolarHBondContact O-CB 3.45Å; N738-I742 VanDerWaalsContact O-CD1 3.32Å; N738-I742 WeakPolarHBondContact O-CD1 3.01Å; N738-I742 WeakPolarHBondContact O-CG1 3.4Å; N738-I742 PolarHBondContact O-N 3.15Å; I739-I742 PolarHBondContact O-N 3.21Å; I742-F745 PolarHBondContact O-N 3.32Å; I742-L746 HydrophobicContact CG2-CD1 3.91Å; I742-L746 HydrophobicContact CG2-CD2 4.27Å; I742-L746 HydrophobicContact CG2-CG 3.91Å; I742-L746 PolarHBondContact O-N 2.88Å
743	S	92.9	Very high	91.3	Very high	14 Å²	14	17.7 Å²	17.7	10%	0.098	9%	0.092	C	C	.	.	H	α-helix	trans	-59.3	-34.4	-172	58.2	0	0	0	0	115	I739 F745 L746 M747 A817 F821	I739-S743 VanDerWaalsContact O-CB 3.27Å; I739-S743 WeakPolarHBondContact O-CB 3.42Å; I739-S743 PolarHBondContact O-N 3Å; I739-S743 PolarHBondContact O-OG 3.47Å; S743-F745 PolarHBondContact O-N 2.94Å; S743-L746 PolarHBondContact O-N 3.27Å; S743-M747 WeakPolarHBondContact O-CG 3.4Å; S743-M747 PolarHBondContact O-N 2.99Å; S743-A817 WeakPolarHBondContact OG-CB 3.32Å; S743-F821 WeakPolarHBondContact OG-CE2 3.12Å
744	P	92.4	Very high	91.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-53.7	-44.9	169.5	-32.2	38.1	0	0	0	114.2	P740 E741 F748 P756 L757 F877	P740-P744 WeakPolarHBondContact O-CD 3.18Å; P740-P744 WeakPolarHBondContact O-CG 3.46Å; E741-P744 WeakPolarHBondContact O-CD 3.3Å; P744-F748 WeakPolarHBondContact O-CB 3.33Å; P744-F748 PolarHBondContact O-N 3.18Å; P744-P756 HydrophobicContact CB-CB 4.03Å; P744-P756 HydrophobicContact CB-CG 4.1Å; P744-P756 HydrophobicContact CG-CB 4.46Å; P744-L757 HydrophobicContact CB-CB 3.77Å; P744-L757 HydrophobicContact CG-CB 3.67Å; P744-L757 HydrophobicContact CG-CD2 4.3Å; P744-F877 HydrophobicContact CG-CE1 3.96Å; P744-F877 HydrophobicContact CG-CE2 4.05Å; P744-F877 HydrophobicContact CG-CZ 3.61Å
745	F	88.3	Confident	91.1	Very high	13 Å²	13	18.7 Å²	18.7	6%	0.057	10%	0.097	C	C	.	.	H	α-helix	trans	-68.3	-38.7	177.5	-76.2	-89.4	0	0	0	111.3	I282 I742 S743 M749 L755 I762	I282-F745 HydrophobicContact CG1-CB 4.38Å; I742-F745 PolarHBondContact O-N 3.32Å; S743-F745 PolarHBondContact O-N 2.94Å; F745-M749 VanDerWaalsContact O-CE 3.26Å; F745-M749 WeakPolarHBondContact O-CE 3.24Å; F745-M749 WeakPolarHBondContact O-CG 3.11Å; F745-M749 PolarHBondContact O-N 3.32Å; F745-M749 VanDerWaalsContact O-N 3.14Å; F745-L755 HydrophobicContact CD1-CD1 4.28Å; F745-L755 HydrophobicContact CE1-CD1 4.24Å; F745-L755 HydrophobicContact CZ-CD1 4.47Å; F745-I762 HydrophobicContact CD2-CD1 4.36Å; F745-I762 HydrophobicContact CE2-CD1 3.63Å
746	L	88.7	Confident	91.2	Very high	31 Å²	31	18.7 Å²	18.7	16%	0.162	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-47.8	176.6	-57	-169.2	0	0	0	111.6	F261 I282 I742 S743 M749 L750	F261-L746 HydrophobicContact CD1-CD2 3.91Å; F261-L746 HydrophobicContact CD2-CD2 3.6Å; F261-L746 HydrophobicContact CE1-CB 4.45Å; F261-L746 HydrophobicContact CE1-CD2 3.71Å; F261-L746 HydrophobicContact CE2-CD1 4.08Å; F261-L746 HydrophobicContact CE2-CD2 3.4Å; F261-L746 HydrophobicContact CE2-CG 4.32Å; F261-L746 HydrophobicContact CG-CD2 3.87Å; F261-L746 HydrophobicContact CZ-CB 4.39Å; F261-L746 HydrophobicContact CZ-CD1 3.96Å; F261-L746 HydrophobicContact CZ-CD2 3.46Å; F261-L746 VanDerWaalsContact CZ-CD2 3.46Å; F261-L746 HydrophobicContact CZ-CG 4.12Å; I282-L746 HydrophobicContact CD1-CD2 4.4Å; I742-L746 HydrophobicContact CG2-CD1 3.91Å; I742-L746 HydrophobicContact CG2-CD2 4.27Å; I742-L746 HydrophobicContact CG2-CG 3.91Å; I742-L746 PolarHBondContact O-N 2.88Å; S743-L746 PolarHBondContact O-N 3.27Å; L746-M749 HydrophobicContact CD2-CE 3.85Å; L746-M749 PolarHBondContact O-N 3.24Å; L746-L750 WeakPolarHBondContact O-CB 3.24Å; L746-L750 WeakPolarHBondContact O-CG 3.43Å; L746-L750 PolarHBondContact O-N 2.81Å
747	M	90.4	Very high	91.1	Very high	69 Å²	69	18.7 Å²	18.7	34%	0.34	10%	0.097	S	C	.	.	H	α-helix	trans	-69.1	-36.4	179.4	-65.9	-57	171.1	0	0	112.2	S743 M749 L751 I753 F821	S743-M747 WeakPolarHBondContact O-CG 3.4Å; S743-M747 PolarHBondContact O-N 2.99Å; M747-M749 VanDerWaalsContact C-N 3.27Å; M747-M749 PolarHBondContact O-N 3.41Å; M747-L751 HydrophobicContact CB-CD1 4.4Å; M747-L751 WeakPolarHBondContact O-CB 3.48Å; M747-L751 PolarHBondContact O-N 3.14Å; M747-L751 HydrophobicContact SD-CD1 3.68Å; M747-L751 HydrophobicContact SD-CG 4.11Å; M747-I753 HydrophobicContact CB-CD1 3.9Å; M747-F821 HydrophobicContact CB-CE1 3.75Å; M747-F821 HydrophobicContact CB-CZ 3.67Å; M747-F821 HydrophobicContact CG-CE1 3.71Å; M747-F821 HydrophobicContact CG-CE2 3.98Å; M747-F821 HydrophobicContact CG-CZ 3.28Å
748	F	88.7	Confident	90.7	Very high	12 Å²	12	19 Å²	19	5%	0.053	10%	0.1	C	C	.	.	H	α-helix	trans	-54.6	-43.1	171.9	174.2	-95.4	0	0	0	111.9	F278 P744 N752 I753 L755 R842	F278-F748 HydrophobicContact CD1-CE1 4.24Å; F278-F748 HydrophobicContact CE1-CD1 4.07Å; F278-F748 AromaticContact CE1-CE1 3.37Å; F278-F748 HydrophobicContact CE1-CE1 3.37Å; F278-F748 HydrophobicContact CE1-CZ 4.31Å; F278-F748 HydrophobicContact CZ-CD1 4.46Å; F278-F748 AromaticContact CZ-CE1 3.62Å; F278-F748 HydrophobicContact CZ-CE1 3.62Å; P744-F748 WeakPolarHBondContact O-CB 3.33Å; P744-F748 PolarHBondContact O-N 3.18Å; F748-N752 WeakPolarHBondContact O-CA 3.46Å; F748-N752 PolarHBondContact O-N 2.86Å; F748-I753 WeakPolarHBondContact CD2-O 3.19Å; F748-L755 HydrophobicContact CB-CD1 3.95Å; F748-L755 HydrophobicContact CD2-CB 3.76Å; F748-L755 HydrophobicContact CD2-CD1 3.96Å; F748-L755 HydrophobicContact CD2-CG 4.48Å; F748-L755 HydrophobicContact CE2-CB 3.95Å; F748-L755 HydrophobicContact CG-CD1 3.9Å; F748-R842 HydrophobicContact CD2-CG 4.31Å; F748-R842 HydrophobicContact CE2-CG 3.58Å; F748-R842 VanDerWaalsContact CZ-CD 3.43Å; F748-R842 HydrophobicContact CZ-CG 3.79Å
749	M	84.5	Confident	90.3	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-77.6	-48.2	178.5	-67.8	-178.9	-70.9	0	0	113.1	F261 M268 Y270 F278 I282 F745 L746 M747 N752	F261-M749 HydrophobicContact CB-CE 3.84Å; F261-M749 HydrophobicContact CB-SD 4.26Å; F261-M749 HydrophobicContact CD1-CE 3.49Å; F261-M749 VanDerWaalsContact CD1-CE 3.49Å; F261-M749 HydrophobicContact CD1-SD 4.35Å; F261-M749 HydrophobicContact CE1-CE 4.29Å; F261-M749 HydrophobicContact CG-CE 3.8Å; M268-M749 WeakPolarHBondContact CE-O 3.44Å; Y270-M749 PolarHBondContact OH-O 2.96Å; F278-M749 HydrophobicContact CB-SD 3.73Å; F278-M749 HydrophobicContact CD2-CG 4.17Å; F278-M749 HydrophobicContact CD2-SD 4.03Å; F278-M749 HydrophobicContact CG-CG 4.22Å; F278-M749 HydrophobicContact CG-SD 3.94Å; I282-M749 HydrophobicContact CD1-CE 3.47Å; I282-M749 VanDerWaalsContact CD1-CE 3.47Å; I282-M749 HydrophobicContact CD1-SD 4.27Å; I282-M749 HydrophobicContact CG1-CE 4.21Å; F745-M749 VanDerWaalsContact O-CE 3.26Å; F745-M749 WeakPolarHBondContact O-CE 3.24Å; F745-M749 WeakPolarHBondContact O-CG 3.11Å; F745-M749 PolarHBondContact O-N 3.32Å; F745-M749 VanDerWaalsContact O-N 3.14Å; L746-M749 HydrophobicContact CD2-CE 3.85Å; L746-M749 PolarHBondContact O-N 3.24Å; M747-M749 VanDerWaalsContact C-N 3.27Å; M747-M749 PolarHBondContact O-N 3.41Å; M749-N752 PolarHBondContact O-OD1 3.31Å
750	L	87.3	Confident	89.8	Confident	81 Å²	81	20.9 Å²	20.9	42%	0.424	11%	0.113	S	C	.	.	H	α-helix	trans	-74.5	-39.7	-171.9	-68.6	176	0	0	0	112.8	F261 I264 L746	F261-L750 HydrophobicContact CE1-CD1 3.99Å; F261-L750 HydrophobicContact CE1-CD2 4.08Å; F261-L750 HydrophobicContact CE1-CG 4.01Å; F261-L750 HydrophobicContact CZ-CD1 4.42Å; I264-L750 HydrophobicContact CG2-CD2 4.39Å; L746-L750 WeakPolarHBondContact O-CB 3.24Å; L746-L750 WeakPolarHBondContact O-CG 3.43Å; L746-L750 PolarHBondContact O-N 2.81Å
751	L	89.3	Confident	89.6	Confident	70 Å²	70	21 Å²	21	37%	0.366	11%	0.114	S	C	.	.	S	Bend	trans	-100.4	-4.1	-176.5	-58	-179	0	0	0	113	M747 I753 L839 G840	M747-L751 HydrophobicContact CB-CD1 4.4Å; M747-L751 WeakPolarHBondContact O-CB 3.48Å; M747-L751 PolarHBondContact O-N 3.14Å; M747-L751 HydrophobicContact SD-CD1 3.68Å; M747-L751 HydrophobicContact SD-CG 4.11Å; L751-I753 HydrophobicContact CB-CG2 3.82Å; L751-I753 PolarHBondContact O-N 3.2Å; L751-L839 HydrophobicContact CB-CD2 3.94Å; L751-L839 HydrophobicContact CD1-CD2 4.34Å; L751-L839 HydrophobicContact CD2-CD2 4.24Å; L751-L839 HydrophobicContact CG-CD2 4.41Å; L751-G840 PolarHBondContact O-N 3.05Å; L751-G840 VanDerWaalsContact O-N 3.11Å
752	N	89	Confident	89.4	Confident	38 Å²	38	21 Å²	21	20%	0.203	11%	0.114	C	C	.	.			trans	50	42.9	-175.5	-75.3	-30.5	0	0	0	112.3	Y270 F748 M749 G840 L841 R842	Y270-N752 PolarHBondContact OH-OD1 3.2Å; F748-N752 WeakPolarHBondContact O-CA 3.46Å; F748-N752 PolarHBondContact O-N 2.86Å; M749-N752 PolarHBondContact O-OD1 3.31Å; N752-G840 CarbonylContact O-C 3.31Å; N752-G840 WeakPolarHBondContact O-CA 3.36Å; N752-G840 PolarHBondContact O-N 3.47Å; N752-L841 PolarHBondContact O-N 2.95Å; N752-L841 VanDerWaalsContact O-N 3.08Å; N752-R842 HydrophobicContact CB-CB 4.28Å; N752-R842 WeakPolarHBondContact O-CB 3.32Å; N752-R842 PolarHBondContact O-N 3.16Å
753	I	92.7	Very high	89.1	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-91.8	159.1	175.6	61.8	173.5	0	0	0	110.6	M747 F748 L751 P756 F821 Y824 L838 L839	M747-I753 HydrophobicContact CB-CD1 3.9Å; F748-I753 WeakPolarHBondContact CD2-O 3.19Å; L751-I753 HydrophobicContact CB-CG2 3.82Å; L751-I753 PolarHBondContact O-N 3.2Å; I753-P756 HydrophobicContact CD1-CG 4.03Å; I753-F821 HydrophobicContact CD1-CE1 4.38Å; I753-Y824 HydrophobicContact CD1-CE1 4.2Å; I753-L838 HydrophobicContact CG2-CB 4.1Å; I753-L838 WeakPolarHBondContact CG2-O 3.45Å; I753-L839 HydrophobicContact CG2-CD2 4.29Å
754	P	92.6	Very high	89	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-56.4	144	168.5	-24.7	34.1	0	0	0	112.1	P756 Y824 M828 L838 L841 W845	P754-P756 WeakPolarHBondContact O-CD 3.33Å; P754-Y824 WeakPolarHBondContact CD-OH 3.45Å; P754-Y824 PolarHBondContact O-OH 3.37Å; P754-M828 HydrophobicContact CB-CE 3.94Å; P754-M828 HydrophobicContact CG-CE 4.24Å; P754-L838 HydrophobicContact CG-CD2 4.34Å; P754-L841 HydrophobicContact CG-CD2 4.14Å; P754-W845 HydrophobicContact CB-CD2 3.94Å; P754-W845 HydrophobicContact CB-CG 4.09Å; P754-W845 HydrophobicContact CB-CZ2 4.19Å; P754-W845 HydrophobicContact CG-CB 4.38Å; P754-W845 HydrophobicContact CG-CD2 3.54Å; P754-W845 HydrophobicContact CG-CE3 3.74Å; P754-W845 HydrophobicContact CG-CG 3.83Å; P754-W845 HydrophobicContact CG-CH2 4.42Å; P754-W845 HydrophobicContact CG-CZ2 4.28Å; P754-W845 HydrophobicContact CG-CZ3 4.17Å
755	L	91.1	Very high	89	Confident	25 Å²	25	21.7 Å²	21.7	13%	0.131	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-58.7	120.5	-173.4	-173.1	64.3	0	0	0	110.9	F745 F748 L757 H874	F745-L755 HydrophobicContact CD1-CD1 4.28Å; F745-L755 HydrophobicContact CE1-CD1 4.24Å; F745-L755 HydrophobicContact CZ-CD1 4.47Å; F748-L755 HydrophobicContact CB-CD1 3.95Å; F748-L755 HydrophobicContact CD2-CB 3.76Å; F748-L755 HydrophobicContact CD2-CD1 3.96Å; F748-L755 HydrophobicContact CD2-CG 4.48Å; F748-L755 HydrophobicContact CE2-CB 3.95Å; F748-L755 HydrophobicContact CG-CD1 3.9Å; L755-L757 WeakPolarHBondContact CD2-O 3.26Å; L755-L757 VanDerWaalsContact CG-O 3.28Å; L755-L757 WeakPolarHBondContact CG-O 3.31Å; L755-H874 PolarHBondContact O-CD2 3.42Å; L755-H874 VanDerWaalsContact O-CD2 3.24Å; L755-H874 PolarHBondContact O-NE2 3.16Å
756	P	93.3	Very high	89	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-76	-33.6	-178.6	-19.1	31.9	0	0	0	114	P744 I753 P754 F821 Y824 H874 F877	P744-P756 HydrophobicContact CB-CB 4.03Å; P744-P756 HydrophobicContact CB-CG 4.1Å; P744-P756 HydrophobicContact CG-CB 4.46Å; I753-P756 HydrophobicContact CD1-CG 4.03Å; P754-P756 WeakPolarHBondContact O-CD 3.33Å; P756-F821 HydrophobicContact CB-CE1 4.33Å; P756-F821 HydrophobicContact CG-CE1 3.79Å; P756-Y824 HydrophobicContact CB-CD2 3.67Å; P756-Y824 HydrophobicContact CB-CE2 3.92Å; P756-Y824 HydrophobicContact CB-CG 4.13Å; P756-Y824 HydrophobicContact CG-CD2 4.22Å; P756-Y824 HydrophobicContact CG-CE2 4.04Å; P756-H874 WeakPolarHBondContact O-CA 3.17Å; P756-H874 PolarHBondContact O-CD2 3.31Å; P756-F877 HydrophobicContact CB-CD2 3.76Å; P756-F877 HydrophobicContact CB-CE2 3.88Å
757	L	92.3	Very high	88.9	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-140.6	134.1	-177.3	-170.9	71.6	0	0	0	110	E741 P744 L755 T761 I762 F877 F878 I881	E741-L757 HydrophobicContact CB-CD2 4.41Å; E741-L757 HydrophobicContact CG-CD2 4.11Å; P744-L757 HydrophobicContact CB-CB 3.77Å; P744-L757 HydrophobicContact CG-CB 3.67Å; P744-L757 HydrophobicContact CG-CD2 4.3Å; L755-L757 WeakPolarHBondContact CD2-O 3.26Å; L755-L757 VanDerWaalsContact CG-O 3.28Å; L755-L757 WeakPolarHBondContact CG-O 3.31Å; L757-T761 WeakPolarHBondContact CD1-OG1 3.47Å; L757-T761 WeakPolarHBondContact CG-OG1 3.05Å; L757-I762 HydrophobicContact CD2-CD1 4.25Å; L757-I762 HydrophobicContact CD2-CG1 3.64Å; L757-I762 HydrophobicContact CG-CG1 4.15Å; L757-F877 HydrophobicContact CB-CD1 4.19Å; L757-F877 HydrophobicContact CB-CG 4.28Å; L757-F877 HydrophobicContact CD1-CB 4.02Å; L757-F877 HydrophobicContact CD1-CD1 3.98Å; L757-F877 HydrophobicContact CD1-CG 4.27Å; L757-F877 HydrophobicContact CD2-CD1 4.19Å; L757-F877 HydrophobicContact CD2-CE1 4.42Å; L757-F877 HydrophobicContact CG-CD1 4.35Å; L757-F878 HydrophobicContact CD1-CB 4.33Å; L757-I881 HydrophobicContact CD2-CD1 3.98Å
758	G	86	Confident	89	Confident	7 Å²	7	20.3 Å²	20.3	7%	0.072	12%	0.117	C	C	.	.			trans	-92.6	160.9	-179.1	0	0	0	0	0	113.6	V760 T761 I762	G758-V760 VanDerWaalsContact C-N 3.3Å; G758-V760 PolarHBondContact O-N 3.49Å; G758-T761 PolarHBondContact N-OG1 2.83Å; G758-T761 PolarHBondContact O-N 3.16Å; G758-T761 PolarHBondContact O-OG1 3.16Å; G758-I762 WeakPolarHBondContact O-CG1 3.39Å; G758-I762 PolarHBondContact O-N 2.95Å; G758-I762 VanDerWaalsContact O-N 3.11Å
759	T	83	Confident	89.2	Confident	30 Å²	30	19.7 Å²	19.7	18%	0.184	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-34.4	176.7	-43.3	0	0	0	0	113.1	L87 V284 T761 I762 L763	L87-T759 HydrophobicContact CD1-CG2 3.74Å; L87-T759 HydrophobicContact CD2-CG2 3.85Å; L87-T759 HydrophobicContact CG-CG2 4.46Å; V284-T759 HydrophobicContact CG1-CG2 3.96Å; T759-T761 VanDerWaalsContact C-N 3.33Å; T759-I762 PolarHBondContact O-N 3.38Å; T759-L763 PolarHBondContact O-N 3.37Å; T759-L763 VanDerWaalsContact O-N 3.16Å
760	V	84.9	Confident	89.6	Confident	38 Å²	38	19.8 Å²	19.8	23%	0.23	12%	0.115	C	C	.	.	H	α-helix	trans	-67.6	-37.1	177.3	178.8	0	0	0	0	111.1	L83 G758 L763 C764 L933	L83-V760 HydrophobicContact CD1-CG2 4.21Å; G758-V760 VanDerWaalsContact C-N 3.3Å; G758-V760 PolarHBondContact O-N 3.49Å; V760-L763 PolarHBondContact O-N 3.44Å; V760-C764 PolarHBondContact O-N 2.73Å; V760-C764 VanDerWaalsContact O-N 3.16Å; V760-C764 PolarHBondContact O-SG 2.84Å; V760-C764 VanDerWaalsContact O-SG 3.34Å; V760-L933 HydrophobicContact CG1-CB 4.21Å; V760-L933 HydrophobicContact CG1-CD2 3.76Å
761	T	90.1	Very high	89.8	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.012	11%	0.108	C	C	.	.	H	α-helix	trans	-71	-32.1	177.7	49.5	0	0	0	0	111.9	L757 G758 T759 C764 I765 H874 M935	L757-T761 WeakPolarHBondContact CD1-OG1 3.47Å; L757-T761 WeakPolarHBondContact CG-OG1 3.05Å; G758-T761 PolarHBondContact N-OG1 2.83Å; G758-T761 PolarHBondContact O-N 3.16Å; G758-T761 PolarHBondContact O-OG1 3.16Å; T759-T761 VanDerWaalsContact C-N 3.33Å; T761-C764 WeakPolarHBondContact O-CB 3.45Å; T761-C764 PolarHBondContact O-N 3.34Å; T761-I765 WeakPolarHBondContact O-CG1 3.09Å; T761-I765 PolarHBondContact O-N 2.73Å; T761-H874 HydrophobicContact CG2-CB 4Å; T761-M935 HydrophobicContact CG2-CE 3.68Å; T761-M935 HydrophobicContact CG2-CG 4.35Å
762	I	88.9	Confident	90	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-51.6	170.7	-68.9	173.3	0	0	0	110.4	A285 E741 F745 L757 G758 T759 C764 I765 D766	A285-I762 HydrophobicContact CB-CD1 4.04Å; E741-I762 HydrophobicContact CB-CD1 4.05Å; E741-I762 HydrophobicContact CB-CG1 4.06Å; E741-I762 HydrophobicContact CG-CG1 4.07Å; E741-I762 HydrophobicContact CG-CG2 4.45Å; F745-I762 HydrophobicContact CD2-CD1 4.36Å; F745-I762 HydrophobicContact CE2-CD1 3.63Å; L757-I762 HydrophobicContact CD2-CD1 4.25Å; L757-I762 HydrophobicContact CD2-CG1 3.64Å; L757-I762 HydrophobicContact CG-CG1 4.15Å; G758-I762 WeakPolarHBondContact O-CG1 3.39Å; G758-I762 PolarHBondContact O-N 2.95Å; G758-I762 VanDerWaalsContact O-N 3.11Å; T759-I762 PolarHBondContact O-N 3.38Å; I762-C764 PolarHBondContact O-N 3.23Å; I762-C764 VanDerWaalsContact O-N 3.11Å; I762-I765 WeakPolarHBondContact O-CA 3.43Å; I762-I765 WeakPolarHBondContact O-CB 3.36Å; I762-I765 PolarHBondContact O-N 3.07Å; I762-D766 VanDerWaalsContact CG2-OD2 3.29Å; I762-D766 WeakPolarHBondContact CG2-OD2 3.11Å; I762-D766 PolarHBondContact O-N 3.23Å; I762-D766 VanDerWaalsContact O-N 3.07Å
763	L	85.7	Confident	90.2	Very high	18 Å²	18	18.6 Å²	18.6	9%	0.094	10%	0.1	C	C	.	.	H	α-helix	trans	-59.3	-29.5	177.3	-67.5	175.1	0	0	0	113.4	L87 V90 L91 T759 V760 I765 L767	L87-L763 HydrophobicContact CD1-CD1 3.64Å; V90-L763 HydrophobicContact CG1-CD1 3.98Å; L91-L763 HydrophobicContact CD2-CD2 4.18Å; T759-L763 PolarHBondContact O-N 3.37Å; T759-L763 VanDerWaalsContact O-N 3.16Å; V760-L763 PolarHBondContact O-N 3.44Å; L763-I765 VanDerWaalsContact C-N 3.28Å; L763-L767 HydrophobicContact CD2-CD1 4.22Å; L763-L767 WeakPolarHBondContact O-CB 3.4Å; L763-L767 PolarHBondContact O-N 3.36Å; L763-L767 VanDerWaalsContact O-N 3.15Å
764	C	90.7	Very high	90.3	Very high	17 Å²	17	18.5 Å²	18.5	12%	0.115	10%	0.1	C	C	.	.	H	α-helix	trans	-69.5	-25.2	173	-69.5	0	0	0	0	113.2	V760 T761 I762 G768 T769 F878 L923 M935	V760-C764 PolarHBondContact O-N 2.73Å; V760-C764 VanDerWaalsContact O-N 3.16Å; V760-C764 PolarHBondContact O-SG 2.84Å; V760-C764 VanDerWaalsContact O-SG 3.34Å; T761-C764 WeakPolarHBondContact O-CB 3.45Å; T761-C764 PolarHBondContact O-N 3.34Å; I762-C764 PolarHBondContact O-N 3.23Å; I762-C764 VanDerWaalsContact O-N 3.11Å; C764-G768 VanDerWaalsContact O-CA 3.22Å; C764-G768 WeakPolarHBondContact O-CA 3.43Å; C764-G768 PolarHBondContact O-N 3.46Å; C764-T769 PolarHBondContact O-N 3.38Å; C764-F878 HydrophobicContact CB-CE2 4.13Å; C764-L923 HydrophobicContact CB-CD1 4.24Å; C764-M935 HydrophobicContact CB-CE 3.75Å
765	I	92.1	Very high	90.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	I	π-helix	trans	-77	-63	174.5	-60.4	164.7	0	0	0	108.8	E741 T761 I762 L763 L767 G768 T769 D770 F878 I881	E741-I765 HydrophobicContact CG-CD1 4.32Å; E741-I765 VanDerWaalsContact OE1-CG2 3.27Å; E741-I765 WeakPolarHBondContact OE1-CG2 3.24Å; T761-I765 WeakPolarHBondContact O-CG1 3.09Å; T761-I765 PolarHBondContact O-N 2.73Å; I762-I765 WeakPolarHBondContact O-CA 3.43Å; I762-I765 WeakPolarHBondContact O-CB 3.36Å; I762-I765 PolarHBondContact O-N 3.07Å; L763-I765 VanDerWaalsContact C-N 3.28Å; I765-L767 PolarHBondContact O-N 2.9Å; I765-G768 PolarHBondContact O-N 3.22Å; I765-T769 WeakPolarHBondContact CA-OG1 3.36Å; I765-T769 PolarHBondContact O-N 3.27Å; I765-D770 HydrophobicContact CG2-CB 4.45Å; I765-D770 WeakPolarHBondContact CG2-OD2 3.35Å; I765-D770 PolarHBondContact O-N 2.87Å; I765-F878 HydrophobicContact CD1-CD2 3.95Å; I765-F878 HydrophobicContact CG1-CD2 3.45Å; I765-F878 VanDerWaalsContact CG1-CD2 3.45Å; I765-F878 HydrophobicContact CG1-CE2 3.67Å; I765-I881 HydrophobicContact CD1-CB 4.25Å; I765-I881 HydrophobicContact CD1-CD1 3.47Å; I765-I881 VanDerWaalsContact CD1-CD1 3.47Å; I765-I881 HydrophobicContact CD1-CG1 4.45Å; I765-I881 HydrophobicContact CD1-CG2 4.13Å; I765-I881 HydrophobicContact CG2-CG2 4.31Å
766	D	88.4	Confident	90.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	10%	0.1	C	C	.	.	I	π-helix	trans	-61	-41.8	-172.2	-70.4	-54	0	0	0	114.3	I762	I762-D766 VanDerWaalsContact CG2-OD2 3.29Å; I762-D766 WeakPolarHBondContact CG2-OD2 3.11Å; I762-D766 PolarHBondContact O-N 3.23Å; I762-D766 VanDerWaalsContact O-N 3.07Å
767	L	86.8	Confident	90.7	Very high	59 Å²	59	18.6 Å²	18.6	31%	0.309	10%	0.1	S	C	.	.	I	π-helix	trans	-101.7	-4.2	-176.1	-59.1	173.1	0	0	0	113	V94 E289 L763 I765	V94-L767 HydrophobicContact CG1-CD1 4.31Å; V94-L767 HydrophobicContact CG1-CD2 4.41Å; V94-L767 HydrophobicContact CG2-CD1 3.48Å; V94-L767 VanDerWaalsContact CG2-CD1 3.48Å; E289-L767 HydrophobicContact CB-CD2 3.98Å; E289-L767 HydrophobicContact CB-CG 4.45Å; L763-L767 HydrophobicContact CD2-CD1 4.22Å; L763-L767 WeakPolarHBondContact O-CB 3.4Å; L763-L767 PolarHBondContact O-N 3.36Å; L763-L767 VanDerWaalsContact O-N 3.15Å; I765-L767 PolarHBondContact O-N 2.9Å
768	G	90.9	Very high	90.7	Very high	21 Å²	21	18.6 Å²	18.6	22%	0.216	10%	0.101	C	C	.	.	I	π-helix	trans	-120.7	-86.4	-173.7	0	0	0	0	0	112	C764 I765	C764-G768 VanDerWaalsContact O-CA 3.22Å; C764-G768 WeakPolarHBondContact O-CA 3.43Å; C764-G768 PolarHBondContact O-N 3.46Å; I765-G768 PolarHBondContact O-N 3.22Å
769	T	93.7	Very high	91.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-67	-42	-170.1	52.7	0	0	0	0	112.7	C764 I765 P773 F878 V882 E916 L919	C764-T769 PolarHBondContact O-N 3.38Å; I765-T769 WeakPolarHBondContact CA-OG1 3.36Å; I765-T769 PolarHBondContact O-N 3.27Å; T769-P773 WeakPolarHBondContact O-CD 3.5Å; T769-P773 WeakPolarHBondContact O-CG 3.39Å; T769-F878 HydrophobicContact CG2-CE2 4Å; T769-F878 HydrophobicContact CG2-CZ 3.68Å; T769-V882 HydrophobicContact CG2-CG2 4.09Å; T769-E916 HydrophobicContact CG2-CG 4.31Å; T769-L919 HydrophobicContact CG2-CD2 4.02Å; T769-L919 HydrophobicContact CG2-CG 4.28Å
770	D	93	Very high	91.6	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-21.3	-173.1	-83.5	-5.4	0	0	0	114.2	Y733 S737 I765 W772 P773 A774 Q885	Y733-D770 HydrophobicContact CE1-CB 3.95Å; Y733-D770 PolarHBondContact OH-OD1 3.12Å; S737-D770 WeakPolarHBondContact CB-OD2 3.29Å; S737-D770 PolarHBondContact OG-OD2 3.03Å; I765-D770 HydrophobicContact CG2-CB 4.45Å; I765-D770 WeakPolarHBondContact CG2-OD2 3.35Å; I765-D770 PolarHBondContact O-N 2.87Å; D770-W772 PolarHBondContact O-N 3.2Å; D770-P773 WeakPolarHBondContact O-CD 3.27Å; D770-A774 WeakPolarHBondContact O-CB 3.22Å; D770-A774 PolarHBondContact O-N 2.71Å; D770-Q885 PolarHBondContact OD1-NE2 3.4Å; D770-Q885 PolarHBondContact OD2-NE2 2.96Å
771	L	90.7	Very high	92	Very high	53 Å²	53	26.7 Å²	26.7	28%	0.277	13%	0.129	S	C	.	.	H	α-helix	trans	-59.5	-47.4	-174.3	-175.8	64.3	0	0	0	112.3	T294 I775	T294-L771 WeakPolarHBondContact OG1-CD1 3.46Å; L771-I775 HydrophobicContact CD1-CD1 4.03Å; L771-I775 HydrophobicContact CG-CD1 3.93Å; L771-I775 WeakPolarHBondContact O-CB 3.37Å; L771-I775 WeakPolarHBondContact O-CD1 3.45Å; L771-I775 WeakPolarHBondContact O-CG1 3.42Å; L771-I775 PolarHBondContact O-N 3.2Å
772	W	93.4	Very high	92.1	Very high	111 Å²	111	28.7 Å²	28.7	42%	0.42	14%	0.143	S	C	.	.	H	α-helix	trans	-72.2	-48.2	-177.2	-168.6	-71.8	0	0	0	113.2	D770 A774 I775 S776 F911 G912 F915	D770-W772 PolarHBondContact O-N 3.2Å; W772-A774 VanDerWaalsContact C-N 3.31Å; W772-A774 PolarHBondContact O-N 2.86Å; W772-I775 PolarHBondContact O-N 3.4Å; W772-S776 WeakPolarHBondContact O-CB 3.29Å; W772-S776 PolarHBondContact O-N 3.48Å; W772-F911 AromaticContact CE2-CD1 3.81Å; W772-F911 AromaticContact CE2-CE1 3.89Å; W772-F911 HydrophobicContact CH2-CE1 4.49Å; W772-F911 AromaticContact CZ2-CD1 3.85Å; W772-F911 HydrophobicContact CZ2-CD1 3.85Å; W772-F911 AromaticContact CZ2-CE1 3.76Å; W772-F911 HydrophobicContact CZ2-CE1 3.76Å; W772-F911 AromaticContact NE1-CD1 3.55Å; W772-G912 VanDerWaalsContact CD1-CA 3.42Å; W772-F915 HydrophobicContact CB-CD1 3.82Å; W772-F915 HydrophobicContact CB-CE1 4.06Å; W772-F915 HydrophobicContact CG-CD1 4.14Å
773	P	94.6	Very high	92.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-50.7	-46.8	169	-30.3	38	0	0	0	113.2	Y733 T769 D770 I775 S776 L777 L889 E916	Y733-P773 HydrophobicContact CE1-CB 3.82Å; Y733-P773 HydrophobicContact CE2-CB 4.39Å; Y733-P773 WeakPolarHBondContact OH-CB 3.4Å; T769-P773 WeakPolarHBondContact O-CD 3.5Å; T769-P773 WeakPolarHBondContact O-CG 3.39Å; D770-P773 WeakPolarHBondContact O-CD 3.27Å; P773-I775 PolarHBondContact O-N 2.82Å; P773-S776 WeakPolarHBondContact O-CB 3.48Å; P773-S776 PolarHBondContact O-N 3.46Å; P773-S776 VanDerWaalsContact O-N 3.11Å; P773-S776 PolarHBondContact O-OG 2.78Å; P773-L777 PolarHBondContact O-N 3.02Å; P773-L889 HydrophobicContact CB-CD1 3.85Å; P773-L889 HydrophobicContact CB-CD2 3.86Å; P773-L889 HydrophobicContact CB-CG 4.4Å; P773-E916 HydrophobicContact CG-CB 4.2Å; P773-E916 HydrophobicContact CG-CG 4.3Å
774	A	94.6	Very high	92.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-40.2	-179.6	0	0	0	0	0	112.4	T294 S730 Y733 D770 W772 S776	T294-A774 HydrophobicContact CG2-CB 3.73Å; S730-A774 PolarHBondContact OG-O 3.1Å; Y733-A774 HydrophobicContact CD1-CB 3.8Å; Y733-A774 HydrophobicContact CE1-CB 4.09Å; D770-A774 WeakPolarHBondContact O-CB 3.22Å; D770-A774 PolarHBondContact O-N 2.71Å; W772-A774 VanDerWaalsContact C-N 3.31Å; W772-A774 PolarHBondContact O-N 2.86Å; A774-S776 VanDerWaalsContact C-N 3.34Å
775	I	94.1	Very high	92.3	Very high	26 Å²	26	35.2 Å²	35.2	13%	0.133	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-36.8	174.2	-68.8	163.7	0	0	0	111.2	T294 V297 L301 L771 W772 P773 L777 A778	T294-I775 HydrophobicContact CG2-CG1 4.04Å; V297-I775 HydrophobicContact CB-CD1 4.23Å; V297-I775 HydrophobicContact CB-CG1 4.28Å; V297-I775 HydrophobicContact CG1-CD1 3.97Å; V297-I775 HydrophobicContact CG1-CG1 4.1Å; V297-I775 HydrophobicContact CG1-CG2 3.78Å; V297-I775 HydrophobicContact CG2-CD1 4.45Å; L301-I775 HydrophobicContact CD1-CG2 3.86Å; L771-I775 HydrophobicContact CD1-CD1 4.03Å; L771-I775 HydrophobicContact CG-CD1 3.93Å; L771-I775 WeakPolarHBondContact O-CB 3.37Å; L771-I775 WeakPolarHBondContact O-CD1 3.45Å; L771-I775 WeakPolarHBondContact O-CG1 3.42Å; L771-I775 PolarHBondContact O-N 3.2Å; W772-I775 PolarHBondContact O-N 3.4Å; P773-I775 PolarHBondContact O-N 2.82Å; I775-L777 PolarHBondContact O-N 3.39Å; I775-A778 VanDerWaalsContact O-CB 3.27Å; I775-A778 WeakPolarHBondContact O-CB 3.22Å; I775-A778 PolarHBondContact O-N 3.35Å
776	S	95.4	Very high	92.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-26.5	-177.8	81.9	0	0	0	0	113.4	W772 P773 A774 A778 Y779 N906 L909	W772-S776 WeakPolarHBondContact O-CB 3.29Å; W772-S776 PolarHBondContact O-N 3.48Å; P773-S776 WeakPolarHBondContact O-CB 3.48Å; P773-S776 PolarHBondContact O-N 3.46Å; P773-S776 VanDerWaalsContact O-N 3.11Å; P773-S776 PolarHBondContact O-OG 2.78Å; A774-S776 VanDerWaalsContact C-N 3.34Å; S776-A778 PolarHBondContact O-N 3.23Å; S776-Y779 WeakPolarHBondContact O-CB 3.39Å; S776-Y779 PolarHBondContact O-N 3.44Å; S776-Y779 VanDerWaalsContact O-N 3.15Å; S776-N906 PolarHBondContact O-ND2 2.96Å; S776-L909 WeakPolarHBondContact OG-CA 3.48Å
777	L	94.9	Very high	92.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-66	-19.3	175.4	-70.5	167.1	0	0	0	112.7	K729 Y733 P773 I775 Y779 E780 L889 L909	K729-L777 HydrophobicContact CB-CD1 4.49Å; Y733-L777 HydrophobicContact CG-CD1 4.17Å; P773-L777 PolarHBondContact O-N 3.02Å; I775-L777 PolarHBondContact O-N 3.39Å; L777-Y779 PolarHBondContact O-N 3.36Å; L777-E780 HydrophobicContact CD2-CG 4.3Å; L777-E780 WeakPolarHBondContact O-CB 3.36Å; L777-E780 WeakPolarHBondContact O-CG 3.37Å; L777-E780 PolarHBondContact O-N 2.87Å; L777-L889 HydrophobicContact CD1-CD1 3.92Å; L777-L889 HydrophobicContact CD2-CD1 4.04Å; L777-L889 HydrophobicContact CG-CD1 3.82Å; L777-L909 HydrophobicContact CD2-CD1 4.04Å
778	A	92.9	Very high	92.7	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-68.5	-21.6	173.6	0	0	0	0	0	113.9	C298 R305 I723 N726 I775 S776 E780	C298-A778 HydrophobicContact CB-CB 3.84Å; R305-A778 PolarHBondContact NH2-O 3.4Å; I723-A778 HydrophobicContact CD1-CB 4.4Å; N726-A778 PolarHBondContact ND2-O 3.29Å; I775-A778 VanDerWaalsContact O-CB 3.27Å; I775-A778 WeakPolarHBondContact O-CB 3.22Å; I775-A778 PolarHBondContact O-N 3.35Å; S776-A778 PolarHBondContact O-N 3.23Å; A778-E780 VanDerWaalsContact C-N 3.28Å
779	Y	93.9	Very high	92.7	Very high	95 Å²	95	44.2 Å²	44.2	37%	0.373	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-84.2	-0.4	176.7	-74.8	-88.2	0	0	0	113.4	L301 S776 L777 T908	L301-Y779 HydrophobicContact CD1-CD2 4.37Å; L301-Y779 HydrophobicContact CD1-CE2 3.52Å; L301-Y779 WeakPolarHBondContact CD2-OH 3.27Å; S776-Y779 WeakPolarHBondContact O-CB 3.39Å; S776-Y779 PolarHBondContact O-N 3.44Å; S776-Y779 VanDerWaalsContact O-N 3.15Å; L777-Y779 PolarHBondContact O-N 3.36Å; Y779-T908 WeakPolarHBondContact CB-OG1 3.29Å; Y779-T908 HydrophobicContact CD1-CG2 4.37Å; Y779-T908 HydrophobicContact CD2-CG2 4.07Å; Y779-T908 WeakPolarHBondContact CD2-OG1 2.86Å; Y779-T908 HydrophobicContact CE1-CG2 4.45Å; Y779-T908 HydrophobicContact CE2-CG2 4.15Å; Y779-T908 HydrophobicContact CG-CG2 4.17Å
780	E	94.5	Very high	92.6	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.014	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.7	140.9	176.7	-75.1	-58.2	135.7	0	0	112.6	N726 L777 A778 K893 N906	N726-E780 PolarHBondContact ND2-O 3.39Å; L777-E780 HydrophobicContact CD2-CG 4.3Å; L777-E780 WeakPolarHBondContact O-CB 3.36Å; L777-E780 WeakPolarHBondContact O-CG 3.37Å; L777-E780 PolarHBondContact O-N 2.87Å; A778-E780 VanDerWaalsContact C-N 3.28Å; E780-K893 VanDerWaalsContact CD-CG 3.46Å; E780-K893 HydrophobicContact CG-CG 4.3Å; E780-K893 IonicContact OE1-NZ 2.72Å; E780-K893 PolarHBondContact OE1-NZ 3.35Å; E780-K893 WeakPolarHBondContact OE2-CG 3.27Å; E780-K893 IonicContact OE2-NZ 3.26Å; E780-K893 PolarHBondContact OE2-NZ 3.39Å; E780-N906 WeakPolarHBondContact OE1-CB 3.46Å; E780-N906 PolarHBondContact OE1-ND2 3.29Å
781	E	93.2	Very high	92.7	Very high	146 Å²	146	49.7 Å²	49.7	68%	0.682	25%	0.25	S	S	*	.	P	Polyproline II helix	trans	-82	165.6	173.9	-64.1	-176.9	171.6	0	0	110.7
782	S	92.7	Very high	92.7	Very high	45 Å²	45	48.8 Å²	48.8	32%	0.315	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-65.1	143.7	178.5	56.4	0	0	0	0	111.6	G784 Q902	S782-G784 VanDerWaalsContact C-N 3.27Å; S782-G784 WeakPolarHBondContact CB-O 3.41Å; S782-G784 PolarHBondContact OG-O 3.24Å; S782-Q902 PolarHBondContact O-NE2 3.45Å; S782-Q902 VanDerWaalsContact O-NE2 3.16Å
783	E	90.3	Very high	92.5	Very high	41 Å²	41	46.6 Å²	46.6	19%	0.192	24%	0.24	C	C	.	.	S	Bend	trans	-81.1	-9.7	175.2	-70.9	-179.8	-123.5	0	0	112.4	K729 T894 R895 R896 N897	K729-E783 VanDerWaalsContact CE-OE1 3.23Å; K729-E783 WeakPolarHBondContact CE-OE1 3.32Å; K729-E783 IonicContact NZ-OE1 3.15Å; K729-E783 PolarHBondContact NZ-OE1 3.12Å; E783-T894 HydrophobicContact CG-CG2 4.34Å; E783-T894 WeakPolarHBondContact OE1-CA 3.21Å; E783-R895 VanDerWaalsContact CD-N 3.33Å; E783-R895 PolarHBondContact OE1-N 2.97Å; E783-R895 PolarHBondContact OE2-N 3.47Å; E783-R895 VanDerWaalsContact OE2-N 3.13Å; E783-R896 PolarHBondContact OE2-N 3.34Å; E783-N897 HydrophobicContact CG-CB 4.43Å; E783-N897 PolarHBondContact O-ND2 2.79Å; E783-N897 PolarHBondContact OE2-N 2.91Å
784	G	88.2	Confident	91.9	Very high	43 Å²	43	48.1 Å²	48.1	44%	0.443	25%	0.25	S	S	.	.	S	Bend	trans	-171.2	-173.3	-179.6	0	0	0	0	0	111.3	S782 I786	S782-G784 VanDerWaalsContact C-N 3.27Å; S782-G784 WeakPolarHBondContact CB-O 3.41Å; S782-G784 PolarHBondContact OG-O 3.24Å; G784-I786 PolarHBondContact O-N 3.45Å
785	D	90.7	Very high	91.4	Very high	88 Å²	88	55.1 Å²	55.1	47%	0.471	28%	0.277	S	S	.	.			trans	-75.4	88.1	-178.5	-168.6	-16.7	0	0	0	111.3	M787 K788	D785-M787 PolarHBondContact O-N 3.05Å; D785-M787 VanDerWaalsContact O-N 3.16Å; D785-M787 PolarHBondContact OD1-N 3.4Å; D785-K788 HydrophobicContact CB-CD 4.19Å; D785-K788 HydrophobicContact CB-CG 4.37Å; D785-K788 PolarHBondContact O-N 2.96Å; D785-K788 VanDerWaalsContact O-N 3.15Å; D785-K788 VanDerWaalsContact OD2-CD 3.26Å; D785-K788 WeakPolarHBondContact OD2-CD 3.02Å; D785-K788 WeakPolarHBondContact OD2-CE 3.49Å; D785-K788 WeakPolarHBondContact OD2-CG 3.1Å; D785-K788 IonicContact OD2-NZ 3.08Å; D785-K788 PolarHBondContact OD2-NZ 2.9Å
786	I	92.1	Very high	91	Very high	10 Å²	10	63.5 Å²	63.5	5%	0.051	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-9.7	-179.6	56.9	172.3	0	0	0	113.5	E718 R721 L722 G784 R789	E718-I786 HydrophobicContact CG-CD1 3.69Å; E718-I786 HydrophobicContact CG-CG1 4.1Å; E718-I786 WeakPolarHBondContact O-CD1 3.4Å; R721-I786 HydrophobicContact CB-CB 4.44Å; R721-I786 HydrophobicContact CB-CD1 4.07Å; R721-I786 WeakPolarHBondContact CD-O 3.18Å; R721-I786 PolarHBondContact NH1-O 3.26Å; L722-I786 HydrophobicContact CB-CD1 4.03Å; G784-I786 PolarHBondContact O-N 3.45Å; I786-R789 VanDerWaalsContact O-CG 3.31Å; I786-R789 WeakPolarHBondContact O-CG 3.4Å
787	M	92.3	Very high	90.7	Very high	26 Å²	26	67 Å²	67	13%	0.128	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.2	175.7	-67.4	-56.8	-67.6	0	0	113.2	A564 V714 V717 E718 D785	A564-M787 WeakPolarHBondContact CA-O 3.45Å; A564-M787 HydrophobicContact CB-CE 3.92Å; A564-M787 WeakPolarHBondContact CB-O 3.46Å; A564-M787 PolarHBondContact N-O 3.1Å; V714-M787 HydrophobicContact CG1-CE 3.62Å; V717-M787 HydrophobicContact CB-CE 4.49Å; V717-M787 HydrophobicContact CG1-CE 4.19Å; V717-M787 HydrophobicContact CG1-SD 4.05Å; E718-M787 HydrophobicContact CB-CG 4.31Å; E718-M787 HydrophobicContact CB-SD 3.89Å; E718-M787 HydrophobicContact CG-CG 4.28Å; E718-M787 HydrophobicContact CG-SD 4.43Å; D785-M787 PolarHBondContact O-N 3.05Å; D785-M787 VanDerWaalsContact O-N 3.16Å; D785-M787 PolarHBondContact OD1-N 3.4Å
788	K	91.2	Very high	90.4	Very high	157 Å²	157	69.4 Å²	69.4	68%	0.683	34%	0.336	S	S	*	.	S	Bend	trans	-96.5	-15.3	172.6	-74.4	-178.8	178.3	129.6	0	114.5	D785	D785-K788 HydrophobicContact CB-CD 4.19Å; D785-K788 HydrophobicContact CB-CG 4.37Å; D785-K788 PolarHBondContact O-N 2.96Å; D785-K788 VanDerWaalsContact O-N 3.15Å; D785-K788 VanDerWaalsContact OD2-CD 3.26Å; D785-K788 WeakPolarHBondContact OD2-CD 3.02Å; D785-K788 WeakPolarHBondContact OD2-CE 3.49Å; D785-K788 WeakPolarHBondContact OD2-CG 3.1Å; D785-K788 IonicContact OD2-NZ 3.08Å; D785-K788 PolarHBondContact OD2-NZ 2.9Å
789	R	90	Very high	90.3	Very high	80 Å²	80	69.4 Å²	69.4	30%	0.302	34%	0.336	S	S	.	.	S	Bend	trans	-79.2	149	176.3	65.6	178.4	-175.9	-167.5	1.3	110.7	A564 R721 D725 I786	A564-R789 CarbonylContact C-O 3.55Å; R721-R789 PolarHBondContact NH1-O 3.48Å; R721-R789 PolarHBondContact O-NH2 2.94Å; R721-R789 VanDerWaalsContact O-NH2 3.11Å; D725-R789 IonicContact OD1-NH1 2.84Å; D725-R789 IonicContact OD1-NH2 3.82Å; D725-R789 IonicContact OD2-CZ 2.61Å; D725-R789 IonicContact OD2-NH1 3.54Å; D725-R789 PolarHBondContact OD2-NH1 3.38Å; D725-R789 IonicContact OD2-NH2 2.67Å; D725-R789 PolarHBondContact OD2-NH2 3.04Å; I786-R789 VanDerWaalsContact O-CG 3.31Å; I786-R789 WeakPolarHBondContact O-CG 3.4Å
790	P	92.4	Very high	90.2	Very high	93 Å²	93	64.9 Å²	64.9	60%	0.604	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-64.7	163.1	169.6	29.1	-35.1	0	0	0	111.2
791	P	93.9	Very high	89.9	Confident	24 Å²	24	66 Å²	66	16%	0.156	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-57.5	149.3	170	-19.5	33.2	0	0	0	110.8	T325 A564 I566	T325-P791 WeakPolarHBondContact O-CB 3.34Å; T325-P791 WeakPolarHBondContact O-CG 3.21Å; A564-P791 WeakPolarHBondContact O-CD 3.39Å; I566-P791 HydrophobicContact CG1-CG 4.01Å
792	R	92.1	Very high	89.7	Confident	35 Å²	35	67.4 Å²	67.4	13%	0.132	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-66.5	145.3	179.1	72.7	172.8	178.8	108.3	-1.6	111.1	E242 E320 S324 F724 S794 D797	E242-R792 IonicContact OE1-NH1 3.81Å; E320-R792 IonicContact OE1-CZ 3.63Å; E320-R792 IonicContact OE1-NE 2.75Å; E320-R792 PolarHBondContact OE1-NE 3.23Å; E320-R792 IonicContact OE1-NH2 3.73Å; E320-R792 PolarHBondContact OE1-NH2 3.31Å; E320-R792 IonicContact OE2-NH2 2.86Å; S324-R792 PolarHBondContact OG-NE 3.22Å; S324-R792 PolarHBondContact OG-NH2 3.06Å; F724-R792 VanDerWaalsContact CE2-CZ 3.42Å; R792-S794 PolarHBondContact O-N 3.48Å; R792-D797 HydrophobicContact CB-CB 3.99Å; R792-D797 PolarHBondContact NH1-O 3.24Å
793	D	88.8	Confident	89.6	Confident	65 Å²	65	70.1 Å²	70.1	35%	0.348	33%	0.334	S	S	.	.			trans	-82.2	108.7	168.3	179.7	-11.4	0	0	0	108.5	R795 R796 D797	D793-R795 PolarHBondContact O-N 3.05Å; D793-R795 WeakPolarHBondContact OD1-CB 3.2Å; D793-R795 PolarHBondContact OD1-N 2.88Å; D793-R796 HydrophobicContact CB-CB 4.3Å; D793-R796 PolarHBondContact O-N 3.36Å; D793-R796 WeakPolarHBondContact OD2-CD 3.46Å; D793-R796 IonicContact OD2-NE 3.38Å; D793-D797 PolarHBondContact N-OD2 3.13Å; D793-D797 WeakPolarHBondContact O-CB 3.43Å; D793-D797 PolarHBondContact O-N 3.15Å
794	S	82.6	Confident	89.8	Confident	31 Å²	31	68.1 Å²	68.1	22%	0.217	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-15	-177.5	62.3	0	0	0	0	114.4	R792 K798	R792-S794 PolarHBondContact O-N 3.48Å; S794-K798 WeakPolarHBondContact O-CE 3.46Å; S794-K798 PolarHBondContact O-NZ 3.13Å
795	R	82.6	Confident	89.9	Confident	147 Å²	147	67.7 Å²	67.7	56%	0.555	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-35.4	176.8	-62	178.8	178.8	-142.4	-10.6	113	K664 D793	K664-R795 VanDerWaalsContact CD-CZ 3.4Å; K664-R795 VanDerWaalsContact CD-NH2 3.29Å; K664-R795 VanDerWaalsContact CE-CZ 3.45Å; D793-R795 PolarHBondContact O-N 3.05Å; D793-R795 WeakPolarHBondContact OD1-CB 3.2Å; D793-R795 PolarHBondContact OD1-N 2.88Å
796	R	86.3	Confident	89.9	Confident	202 Å²	202	65.8 Å²	65.8	76%	0.762	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-43.2	-174.3	-64.7	-179.8	176.7	-177.8	0.8	111.9	D793 K798	D793-R796 HydrophobicContact CB-CB 4.3Å; D793-R796 PolarHBondContact O-N 3.36Å; D793-R796 WeakPolarHBondContact OD2-CD 3.46Å; D793-R796 IonicContact OD2-NE 3.38Å; R796-K798 VanDerWaalsContact C-N 3.33Å; R796-K798 PolarHBondContact O-N 3Å; R796-K798 VanDerWaalsContact O-N 3.14Å
797	D	88.2	Confident	89.9	Confident	75 Å²	75	65.3 Å²	65.3	40%	0.401	30%	0.303	S	S	.	.	S	Bend	trans	-92.4	69.7	-175.2	-58.8	-40.8	0	0	0	110.2	R792 D793	R792-D797 HydrophobicContact CB-CB 3.99Å; R792-D797 PolarHBondContact NH1-O 3.24Å; D793-D797 PolarHBondContact N-OD2 3.13Å; D793-D797 WeakPolarHBondContact O-CB 3.43Å; D793-D797 PolarHBondContact O-N 3.15Å
798	K	89.8	Confident	90	Very high	51 Å²	51	64 Å²	64	22%	0.222	30%	0.297	C	S	.	.			trans	-69.5	151.7	176.1	-62.6	-56.5	-168.4	-177.3	0	112.2	E242 K728 S794 R796	E242-K798 WeakPolarHBondContact OE1-CD 3.26Å; E242-K798 IonicContact OE1-NZ 3.72Å; E242-K798 PolarHBondContact OE1-NZ 3.07Å; E242-K798 VanDerWaalsContact OE2-CA 3.26Å; E242-K798 WeakPolarHBondContact OE2-CA 3.32Å; E242-K798 VanDerWaalsContact OE2-CD 3.23Å; E242-K798 WeakPolarHBondContact OE2-CD 3.37Å; K728-K798 WeakPolarHBondContact CE-O 3.16Å; K728-K798 PolarHBondContact NZ-O 3.36Å; S794-K798 WeakPolarHBondContact O-CE 3.46Å; S794-K798 PolarHBondContact O-NZ 3.13Å; R796-K798 VanDerWaalsContact C-N 3.33Å; R796-K798 PolarHBondContact O-N 3Å; R796-K798 VanDerWaalsContact O-N 3.14Å
799	L	91.1	Very high	90	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-63.3	-49.3	174.2	-176	68.1	0	0	0	109.8	I239 E242 F724 L727 K728 I731	I239-L799 HydrophobicContact CD1-CD2 3.94Å; E242-L799 HydrophobicContact CB-CB 3.83Å; E242-L799 HydrophobicContact CB-CD2 4.29Å; E242-L799 HydrophobicContact CG-CB 4.16Å; E242-L799 PolarHBondContact OE2-N 3.35Å; F724-L799 HydrophobicContact CD2-CD1 3.97Å; F724-L799 HydrophobicContact CE2-CB 4.04Å; F724-L799 HydrophobicContact CE2-CD1 3.73Å; F724-L799 HydrophobicContact CE2-CG 4.49Å; F724-L799 HydrophobicContact CZ-CB 4.27Å; F724-L799 HydrophobicContact CZ-CD1 4.17Å; L727-L799 HydrophobicContact CB-CD1 3.99Å; K728-L799 VanDerWaalsContact CE-O 3.28Å; K728-L799 WeakPolarHBondContact CE-O 3.39Å; K728-L799 HydrophobicContact CG-CD1 3.87Å; K728-L799 WeakPolarHBondContact CG-O 3.5Å; I731-L799 HydrophobicContact CD1-CD1 4.22Å; I731-L799 HydrophobicContact CD1-CD2 3.49Å; I731-L799 VanDerWaalsContact CD1-CD2 3.49Å; I731-L799 HydrophobicContact CD1-CG 3.72Å
800	V	90.6	Very high	90	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	28%	0.277	C	S	.	.	S	Bend	trans	-113.8	111.9	171.5	-178.1	0	0	0	0	108.3	F246 L249 I731 L804 I805	F246-V800 HydrophobicContact CB-CB 4.43Å; F246-V800 HydrophobicContact CB-CG2 4.21Å; F246-V800 HydrophobicContact CD2-CB 3.97Å; F246-V800 HydrophobicContact CD2-CG1 4.08Å; F246-V800 HydrophobicContact CD2-CG2 3.53Å; F246-V800 HydrophobicContact CE2-CG2 4.21Å; F246-V800 HydrophobicContact CG-CG2 4.05Å; L249-V800 HydrophobicContact CD2-CG1 4.43Å; I731-V800 HydrophobicContact CD1-CG2 4.31Å; I731-V800 HydrophobicContact CG2-CG2 3.71Å; V800-L804 HydrophobicContact CG1-CD2 4.36Å; V800-I805 HydrophobicContact CG1-CD1 4.06Å; V800-I805 HydrophobicContact CG1-CG1 3.95Å
801	N	89.4	Confident	90.1	Very high	26 Å²	26	54.2 Å²	54.2	14%	0.139	26%	0.261	C	S	.	.			trans	-110.3	168.1	176.9	58.2	21.7	0	0	0	110.1	R803 L804 I805 Y979	N801-R803 PolarHBondContact O-N 3Å; N801-R803 VanDerWaalsContact O-N 3.14Å; N801-R803 WeakPolarHBondContact OD1-CB 3.49Å; N801-R803 PolarHBondContact OD1-N 3.32Å; N801-L804 WeakPolarHBondContact O-CB 3.18Å; N801-L804 PolarHBondContact O-N 3.22Å; N801-L804 VanDerWaalsContact O-N 3.07Å; N801-L804 WeakPolarHBondContact OD1-CB 3.35Å; N801-L804 PolarHBondContact OD1-N 3.08Å; N801-I805 PolarHBondContact O-N 3.15Å; N801-Y979 PolarHBondContact ND2-OXT 3.01Å; N801-Y979 VanDerWaalsContact ND2-OXT 3.12Å
802	E	88.5	Confident	90.2	Very high	175 Å²	175	53.1 Å²	53.1	82%	0.818	25%	0.253	S	S	*	.	H	α-helix	trans	-57	-30.1	177.9	-64.2	176.5	176.4	0	0	112.3	I805 S806	E802-I805 PolarHBondContact O-N 2.88Å; E802-S806 VanDerWaalsContact O-CB 3.27Å; E802-S806 WeakPolarHBondContact O-CB 3.27Å; E802-S806 PolarHBondContact O-N 3.06Å
803	R	91.4	Very high	90.4	Very high	102 Å²	102	51.4 Å²	51.4	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-66.1	-43.1	176.8	-56.3	175.6	-174.4	162.7	3.6	112	N801 I805 S806 F807 R975 Y978	N801-R803 PolarHBondContact O-N 3Å; N801-R803 VanDerWaalsContact O-N 3.14Å; N801-R803 WeakPolarHBondContact OD1-CB 3.49Å; N801-R803 PolarHBondContact OD1-N 3.32Å; R803-I805 VanDerWaalsContact C-N 3.34Å; R803-S806 PolarHBondContact O-N 3.32Å; R803-F807 VanDerWaalsContact O-CB 3.27Å; R803-F807 WeakPolarHBondContact O-CB 2.93Å; R803-F807 PolarHBondContact O-N 2.9Å; R803-R975 VanDerWaalsContact CD-O 3.29Å; R803-R975 WeakPolarHBondContact CD-O 3.35Å; R803-R975 PolarHBondContact NE-O 3.49Å; R803-Y978 WeakPolarHBondContact CD-O 3.46Å; R803-Y978 PolarHBondContact NH1-O 2.86Å
804	L	92.6	Very high	90.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-46.5	177.1	-165.9	154.4	0	0	0	109.7	K728 A732 L735 V800 N801 F807 A808 Y979	K728-L804 HydrophobicContact CB-CD1 4.5Å; A732-L804 HydrophobicContact CB-CD1 4.31Å; A732-L804 HydrophobicContact CB-CD2 4.12Å; A732-L804 HydrophobicContact CB-CG 4.13Å; L735-L804 HydrophobicContact CD1-CD2 3.78Å; V800-L804 HydrophobicContact CG1-CD2 4.36Å; N801-L804 WeakPolarHBondContact O-CB 3.18Å; N801-L804 PolarHBondContact O-N 3.22Å; N801-L804 VanDerWaalsContact O-N 3.07Å; N801-L804 WeakPolarHBondContact OD1-CB 3.35Å; N801-L804 PolarHBondContact OD1-N 3.08Å; L804-F807 PolarHBondContact O-N 3.22Å; L804-A808 HydrophobicContact CD2-CB 4.41Å; L804-A808 WeakPolarHBondContact O-CB 3.19Å; L804-A808 PolarHBondContact O-N 3.28Å; L804-Y979 HydrophobicContact CB-CG 4.34Å; L804-Y979 HydrophobicContact CD1-CD2 3.97Å; L804-Y979 HydrophobicContact CG-CD2 4.1Å; L804-Y979 HydrophobicContact CG-CG 4.28Å
805	I	91.2	Very high	91.3	Very high	34 Å²	34	53.9 Å²	53.9	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-44.9	177.9	-63.9	177.4	0	0	0	110.9	L249 V800 N801 E802 R803 F807 A808 Y809 G810	L249-I805 HydrophobicContact CD2-CD1 3.32Å; L249-I805 HydrophobicContact CG-CD1 3.96Å; V800-I805 HydrophobicContact CG1-CD1 4.06Å; V800-I805 HydrophobicContact CG1-CG1 3.95Å; N801-I805 PolarHBondContact O-N 3.15Å; E802-I805 PolarHBondContact O-N 2.88Å; R803-I805 VanDerWaalsContact C-N 3.34Å; I805-F807 VanDerWaalsContact C-N 3.28Å; I805-F807 PolarHBondContact O-N 3.34Å; I805-A808 PolarHBondContact O-N 2.9Å; I805-Y809 HydrophobicContact CG2-CD2 4.08Å; I805-Y809 HydrophobicContact CG2-CG 4.11Å; I805-Y809 WeakPolarHBondContact O-CA 3.2Å; I805-Y809 VanDerWaalsContact O-CB 3.28Å; I805-Y809 WeakPolarHBondContact O-CB 3.34Å; I805-Y809 PolarHBondContact O-N 3.42Å; I805-G810 PolarHBondContact O-N 3.32Å
806	S	91.3	Very high	92	Very high	47 Å²	47	46.9 Å²	46.9	33%	0.329	23%	0.228	S	C	.	.	I	π-helix	trans	-58.2	-43.2	177.3	-175.3	0	0	0	0	111.6	E802 R803 G810 M811	E802-S806 VanDerWaalsContact O-CB 3.27Å; E802-S806 WeakPolarHBondContact O-CB 3.27Å; E802-S806 PolarHBondContact O-N 3.06Å; R803-S806 PolarHBondContact O-N 3.32Å; S806-G810 CarbonylContact O-C 3.59Å; S806-G810 WeakPolarHBondContact O-CA 3.42Å; S806-G810 PolarHBondContact O-N 3.38Å; S806-M811 PolarHBondContact O-N 3.4Å
807	F	92.4	Very high	92.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-67.9	-54.5	177.1	178.3	-101	0	0	0	112.3	R803 L804 I805 M811 I812 I891 D957 Y979	R803-F807 VanDerWaalsContact O-CB 3.27Å; R803-F807 WeakPolarHBondContact O-CB 2.93Å; R803-F807 PolarHBondContact O-N 2.9Å; L804-F807 PolarHBondContact O-N 3.22Å; I805-F807 VanDerWaalsContact C-N 3.28Å; I805-F807 PolarHBondContact O-N 3.34Å; F807-M811 HydrophobicContact CD2-SD 4.43Å; F807-M811 WeakPolarHBondContact O-CB 2.99Å; F807-M811 PolarHBondContact O-N 2.84Å; F807-I812 HydrophobicContact CD1-CG1 4.43Å; F807-I812 HydrophobicContact CD2-CG1 4.49Å; F807-I812 HydrophobicContact CE1-CG1 3.94Å; F807-I812 HydrophobicContact CE2-CD1 4.09Å; F807-I812 HydrophobicContact CE2-CG1 4Å; F807-I812 HydrophobicContact CZ-CD1 4.03Å; F807-I812 HydrophobicContact CZ-CG1 3.7Å; F807-I812 PolarHBondContact O-N 3.38Å; F807-I891 HydrophobicContact CZ-CD1 4.34Å; F807-D957 WeakPolarHBondContact CE2-OD1 3.1Å; F807-D957 VanDerWaalsContact CZ-OD1 3.28Å; F807-D957 WeakPolarHBondContact CZ-OD1 3.42Å; F807-Y979 HydrophobicContact CB-CD1 4.36Å; F807-Y979 AromaticContact CD1-CD1 3.92Å; F807-Y979 HydrophobicContact CD1-CD1 3.92Å; F807-Y979 AromaticContact CD1-CE1 3.48Å; F807-Y979 HydrophobicContact CD1-CE1 3.48Å; F807-Y979 VanDerWaalsContact CD1-CE1 3.48Å; F807-Y979 HydrophobicContact CE1-CD1 4.48Å; F807-Y979 AromaticContact CE1-CE1 3.61Å; F807-Y979 HydrophobicContact CE1-CE1 3.61Å; F807-Y979 HydrophobicContact CG-CD1 4.14Å; F807-Y979 HydrophobicContact CG-CE1 4.04Å; F807-Y979 HydrophobicContact CZ-CE1 4.26Å
808	A	93	Very high	92.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	I	π-helix	trans	-68.2	-59.1	-176.5	0	0	0	0	0	111.7	L735 T736 L804 I805 G813	L735-A808 HydrophobicContact CB-CB 4.31Å; T736-A808 WeakPolarHBondContact OG1-CB 3.11Å; L804-A808 HydrophobicContact CD2-CB 4.41Å; L804-A808 WeakPolarHBondContact O-CB 3.19Å; L804-A808 PolarHBondContact O-N 3.28Å; I805-A808 PolarHBondContact O-N 2.9Å; A808-G813 WeakPolarHBondContact O-CA 3.42Å; A808-G813 PolarHBondContact O-N 2.88Å
809	Y	91.2	Very high	93.2	Very high	26 Å²	26	34 Å²	34	10%	0.102	18%	0.181	C	C	.	.	I	π-helix	trans	-76.2	-44.4	-177.1	-75.8	20.6	0	0	0	112.1	L735 N738 I739 I805	L735-Y809 HydrophobicContact CB-CD1 4.32Å; L735-Y809 HydrophobicContact CB-CE1 3.75Å; L735-Y809 HydrophobicContact CD2-CE1 4.02Å; L735-Y809 HydrophobicContact CG-CE1 4.34Å; L735-Y809 VanDerWaalsContact O-CD1 3.31Å; L735-Y809 WeakPolarHBondContact O-CD1 3.34Å; L735-Y809 WeakPolarHBondContact O-CE1 3.41Å; N738-Y809 HydrophobicContact CB-CE1 4.19Å; N738-Y809 PolarHBondContact ND2-OH 2.82Å; I739-Y809 HydrophobicContact CD1-CD1 4.35Å; I739-Y809 HydrophobicContact CD1-CD2 3.85Å; I739-Y809 HydrophobicContact CD1-CE2 4.44Å; I739-Y809 HydrophobicContact CD1-CG 3.78Å; I739-Y809 HydrophobicContact CG1-CD1 4.2Å; I739-Y809 HydrophobicContact CG1-CG 3.99Å; I805-Y809 HydrophobicContact CG2-CD2 4.08Å; I805-Y809 HydrophobicContact CG2-CG 4.11Å; I805-Y809 WeakPolarHBondContact O-CA 3.2Å; I805-Y809 VanDerWaalsContact O-CB 3.28Å; I805-Y809 WeakPolarHBondContact O-CB 3.34Å; I805-Y809 PolarHBondContact O-N 3.42Å
810	G	90.9	Very high	93.4	Very high	46 Å²	46	34 Å²	34	47%	0.474	18%	0.181	S	C	.	.	I	π-helix	trans	-80.5	-31.7	-169.7	0	0	0	0	0	114.6	I805 S806	I805-G810 PolarHBondContact O-N 3.32Å; S806-G810 CarbonylContact O-C 3.59Å; S806-G810 WeakPolarHBondContact O-CA 3.42Å; S806-G810 PolarHBondContact O-N 3.38Å
811	M	94.1	Very high	93.7	Very high	52 Å²	52	35 Å²	35	26%	0.256	19%	0.186	S	C	.	.	I	π-helix	trans	-110.4	-67.8	-175	-54.6	-177.3	-173.1	0	0	111.9	S806 F807 M815 F956 T977	S806-M811 PolarHBondContact O-N 3.4Å; F807-M811 HydrophobicContact CD2-SD 4.43Å; F807-M811 WeakPolarHBondContact O-CB 2.99Å; F807-M811 PolarHBondContact O-N 2.84Å; M811-M815 WeakPolarHBondContact O-CG 3.38Å; M811-M815 PolarHBondContact O-N 3.37Å; M811-F956 HydrophobicContact CB-CE1 4.28Å; M811-F956 HydrophobicContact SD-CE1 4.24Å; M811-F956 HydrophobicContact SD-CZ 4.06Å; M811-T977 HydrophobicContact CE-CG2 4.09Å
812	I	95.8	Very high	94	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-71.6	-46.8	-171.4	-51.6	-57.6	0	0	0	110.6	T736 F807 M814 M815 Q816 I891 I953 F956	T736-I812 HydrophobicContact CG2-CB 3.64Å; T736-I812 HydrophobicContact CG2-CG2 3.42Å; T736-I812 VanDerWaalsContact CG2-CG2 3.42Å; F807-I812 HydrophobicContact CD1-CG1 4.43Å; F807-I812 HydrophobicContact CD2-CG1 4.49Å; F807-I812 HydrophobicContact CE1-CG1 3.94Å; F807-I812 HydrophobicContact CE2-CD1 4.09Å; F807-I812 HydrophobicContact CE2-CG1 4Å; F807-I812 HydrophobicContact CZ-CD1 4.03Å; F807-I812 HydrophobicContact CZ-CG1 3.7Å; F807-I812 PolarHBondContact O-N 3.38Å; I812-M814 PolarHBondContact O-N 2.9Å; I812-M815 WeakPolarHBondContact O-CA 3.33Å; I812-M815 WeakPolarHBondContact O-CB 3.29Å; I812-M815 PolarHBondContact O-N 2.69Å; I812-Q816 HydrophobicContact CG2-CG 4.43Å; I812-Q816 WeakPolarHBondContact O-CG 3.44Å; I812-Q816 PolarHBondContact O-N 2.95Å; I812-I891 HydrophobicContact CD1-CD1 3.94Å; I812-I891 HydrophobicContact CG1-CD1 4.13Å; I812-I891 HydrophobicContact CG2-CD1 4.27Å; I812-I953 HydrophobicContact CD1-CG2 4.45Å; I812-I953 HydrophobicContact CG2-CD1 4.29Å; I812-I953 HydrophobicContact CG2-CG1 4.35Å; I812-I953 HydrophobicContact CG2-CG2 3.93Å; I812-F956 HydrophobicContact CD1-CD1 3.87Å; I812-F956 HydrophobicContact CD1-CE1 4.11Å
813	G	95.6	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-33.4	179.3	0	0	0	0	0	112.9	T736 I739 A808 Q816 A817	T736-G813 WeakPolarHBondContact O-CA 3.43Å; I739-G813 WeakPolarHBondContact CG2-O 3.28Å; A808-G813 WeakPolarHBondContact O-CA 3.42Å; A808-G813 PolarHBondContact O-N 2.88Å; G813-Q816 PolarHBondContact O-N 3.49Å; G813-A817 WeakPolarHBondContact O-CB 3.23Å; G813-A817 PolarHBondContact O-N 3.39Å
814	M	95.9	Very high	94.6	Very high	109 Å²	109	25.2 Å²	25.2	54%	0.537	14%	0.142	S	C	.	.	H	α-helix	trans	-68.3	-37	174	-168.3	64	72.9	0	0	112.5	I812 S818	I812-M814 PolarHBondContact O-N 2.9Å; M814-S818 WeakPolarHBondContact O-CB 3.5Å; M814-S818 PolarHBondContact O-N 3.49Å; M814-S818 PolarHBondContact O-OG 2.79Å
815	M	96.3	Very high	94.7	Very high	38 Å²	38	28.4 Å²	28.4	19%	0.187	16%	0.156	C	C	.	.	H	α-helix	trans	-67	-39.7	173	-63.2	-175.6	-163.7	0	0	111.2	M811 I812 S818 A819 L952 I953 F956	M811-M815 WeakPolarHBondContact O-CG 3.38Å; M811-M815 PolarHBondContact O-N 3.37Å; I812-M815 WeakPolarHBondContact O-CA 3.33Å; I812-M815 WeakPolarHBondContact O-CB 3.29Å; I812-M815 PolarHBondContact O-N 2.69Å; M815-S818 WeakPolarHBondContact O-CB 3.43Å; M815-S818 PolarHBondContact O-N 2.73Å; M815-A819 PolarHBondContact O-N 3.22Å; M815-L952 HydrophobicContact SD-CD2 4.32Å; M815-L952 HydrophobicContact SD-CG 4.29Å; M815-I953 HydrophobicContact CB-CD1 4.1Å; M815-I953 HydrophobicContact CB-CG1 3.84Å; M815-I953 HydrophobicContact SD-CG1 3.92Å; M815-F956 HydrophobicContact CE-CB 4.35Å; M815-F956 HydrophobicContact CE-CD1 3.88Å; M815-F956 HydrophobicContact CE-CD2 4.02Å; M815-F956 HydrophobicContact CE-CE1 4.15Å; M815-F956 HydrophobicContact CE-CE2 4.27Å; M815-F956 HydrophobicContact CE-CG 3.81Å; M815-F956 HydrophobicContact CE-CZ 4.33Å
816	Q	96.9	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-45.6	175.3	-63.1	-165.8	-11	0	0	112	T736 P740 I812 G813 S818 A819 G820 V884 I953	T736-Q816 HydrophobicContact CG2-CG 4.32Å; T736-Q816 PolarHBondContact O-OE1 3.13Å; P740-Q816 HydrophobicContact CB-CB 4.23Å; P740-Q816 HydrophobicContact CG-CB 3.78Å; I812-Q816 HydrophobicContact CG2-CG 4.43Å; I812-Q816 WeakPolarHBondContact O-CG 3.44Å; I812-Q816 PolarHBondContact O-N 2.95Å; G813-Q816 PolarHBondContact O-N 3.49Å; Q816-S818 VanDerWaalsContact C-N 3.3Å; Q816-S818 PolarHBondContact O-N 3.38Å; Q816-A819 WeakPolarHBondContact O-CB 3.4Å; Q816-A819 PolarHBondContact O-N 3.14Å; Q816-A819 VanDerWaalsContact O-N 3.13Å; Q816-G820 PolarHBondContact O-N 3.22Å; Q816-V884 HydrophobicContact CB-CB 4.5Å; Q816-V884 HydrophobicContact CB-CG2 3.72Å; Q816-V884 HydrophobicContact CG-CB 3.97Å; Q816-V884 HydrophobicContact CG-CG2 3.5Å; Q816-V884 VanDerWaalsContact CG-CG2 3.5Å; Q816-I953 HydrophobicContact CG-CD1 3.89Å
817	A	96.3	Very high	95.1	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.033	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-44.1	174.8	0	0	0	0	0	111.5	I739 P740 S743 G813 A819 G820 F821	I739-A817 HydrophobicContact CG2-CB 4.11Å; P740-A817 HydrophobicContact CB-CB 4.31Å; S743-A817 WeakPolarHBondContact OG-CB 3.32Å; G813-A817 WeakPolarHBondContact O-CB 3.23Å; G813-A817 PolarHBondContact O-N 3.39Å; A817-A819 VanDerWaalsContact C-N 3.29Å; A817-A819 PolarHBondContact O-N 3.1Å; A817-G820 PolarHBondContact O-N 3.47Å; A817-F821 WeakPolarHBondContact O-CD2 3.32Å; A817-F821 PolarHBondContact O-N 2.98Å
818	S	96.4	Very high	95.2	Very high	53 Å²	53	26.6 Å²	26.6	37%	0.371	15%	0.145	S	C	.	.	H	α-helix	trans	-59.3	-39.5	176.4	-58.3	0	0	0	0	112.2	M814 M815 Q816 F822	M814-S818 WeakPolarHBondContact O-CB 3.5Å; M814-S818 PolarHBondContact O-N 3.49Å; M814-S818 PolarHBondContact O-OG 2.79Å; M815-S818 WeakPolarHBondContact O-CB 3.43Å; M815-S818 PolarHBondContact O-N 2.73Å; Q816-S818 VanDerWaalsContact C-N 3.3Å; Q816-S818 PolarHBondContact O-N 3.38Å; S818-F822 VanDerWaalsContact O-CB 3.29Å; S818-F822 WeakPolarHBondContact O-CB 3.29Å; S818-F822 PolarHBondContact O-N 3.15Å
819	A	96.6	Very high	95.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-46	176	0	0	0	0	0	112.2	M815 Q816 A817 F822 T823 V884 A946 F949	M815-A819 PolarHBondContact O-N 3.22Å; Q816-A819 WeakPolarHBondContact O-CB 3.4Å; Q816-A819 PolarHBondContact O-N 3.14Å; Q816-A819 VanDerWaalsContact O-N 3.13Å; A817-A819 VanDerWaalsContact C-N 3.29Å; A817-A819 PolarHBondContact O-N 3.1Å; A819-F822 PolarHBondContact O-N 3.05Å; A819-T823 PolarHBondContact O-N 3.16Å; A819-T823 PolarHBondContact O-OG1 3.49Å; A819-V884 HydrophobicContact CB-CG1 3.67Å; A819-A946 HydrophobicContact CB-CB 4.35Å; A819-F949 HydrophobicContact CB-CB 3.54Å; A819-F949 HydrophobicContact CB-CD1 4.09Å; A819-F949 HydrophobicContact CB-CD2 3.73Å; A819-F949 HydrophobicContact CB-CE2 4.45Å; A819-F949 HydrophobicContact CB-CG 3.52Å
820	G	96	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-46.4	177.6	0	0	0	0	0	112.6	Q816 A817 F822 T823 Y824 F877	Q816-G820 PolarHBondContact O-N 3.22Å; A817-G820 PolarHBondContact O-N 3.47Å; G820-F822 VanDerWaalsContact C-N 3.34Å; G820-F822 PolarHBondContact O-N 3.18Å; G820-T823 PolarHBondContact O-N 2.9Å; G820-Y824 PolarHBondContact O-N 2.76Å; G820-F877 VanDerWaalsContact C-CD2 3.48Å; G820-F877 VanDerWaalsContact O-CD2 3.28Å; G820-F877 WeakPolarHBondContact O-CD2 3.43Å; G820-F877 WeakPolarHBondContact O-CE2 3.48Å
821	F	96.1	Very high	95.5	Very high	24 Å²	24	29.5 Å²	29.5	11%	0.105	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-37.9	175.6	-80.4	-68	0	0	0	112.7	S743 M747 I753 P756 A817 Y824 F825 F877	S743-F821 WeakPolarHBondContact OG-CE2 3.12Å; M747-F821 HydrophobicContact CB-CE1 3.75Å; M747-F821 HydrophobicContact CB-CZ 3.67Å; M747-F821 HydrophobicContact CG-CE1 3.71Å; M747-F821 HydrophobicContact CG-CE2 3.98Å; M747-F821 HydrophobicContact CG-CZ 3.28Å; I753-F821 HydrophobicContact CD1-CE1 4.38Å; P756-F821 HydrophobicContact CB-CE1 4.33Å; P756-F821 HydrophobicContact CG-CE1 3.79Å; A817-F821 WeakPolarHBondContact O-CD2 3.32Å; A817-F821 PolarHBondContact O-N 2.98Å; F821-Y824 WeakPolarHBondContact O-CB 3.29Å; F821-Y824 PolarHBondContact O-N 3.42Å; F821-F825 HydrophobicContact CB-CD2 4.39Å; F821-F825 HydrophobicContact CB-CE2 4.05Å; F821-F825 HydrophobicContact CD1-CE2 4.43Å; F821-F825 WeakPolarHBondContact O-CD2 3.39Å; F821-F825 WeakPolarHBondContact O-CG 3.37Å; F821-F825 PolarHBondContact O-N 2.87Å; F821-F877 HydrophobicContact CD1-CE2 4.31Å; F821-F877 HydrophobicContact CD2-CE2 4.49Å; F821-F877 HydrophobicContact CG-CE2 4.28Å
822	F	96.4	Very high	95.4	Very high	96 Å²	96	27 Å²	27	42%	0.421	14%	0.142	S	C	.	.	H	α-helix	trans	-59.6	-48.3	175.4	-178.6	-107.2	0	0	0	111.2	S818 A819 G820 Y824 F825 V826 P945 F949	S818-F822 VanDerWaalsContact O-CB 3.29Å; S818-F822 WeakPolarHBondContact O-CB 3.29Å; S818-F822 PolarHBondContact O-N 3.15Å; A819-F822 PolarHBondContact O-N 3.05Å; G820-F822 VanDerWaalsContact C-N 3.34Å; G820-F822 PolarHBondContact O-N 3.18Å; F822-Y824 VanDerWaalsContact C-N 3.34Å; F822-Y824 PolarHBondContact O-N 3.49Å; F822-F825 PolarHBondContact O-N 3.23Å; F822-V826 HydrophobicContact CD1-CG2 4.35Å; F822-V826 HydrophobicContact CE1-CG2 4.03Å; F822-V826 HydrophobicContact CE2-CG2 4.28Å; F822-V826 HydrophobicContact CZ-CG2 3.98Å; F822-V826 VanDerWaalsContact O-CG2 3.29Å; F822-V826 WeakPolarHBondContact O-CG2 3.39Å; F822-V826 PolarHBondContact O-N 2.93Å; F822-P945 HydrophobicContact CD1-CB 3.87Å; F822-P945 WeakPolarHBondContact CD1-O 3.32Å; F822-P945 HydrophobicContact CE1-CB 3.87Å; F822-F949 HydrophobicContact CB-CE2 3.88Å; F822-F949 HydrophobicContact CB-CZ 4.05Å; F822-F949 AromaticContact CD1-CE2 3.82Å; F822-F949 HydrophobicContact CD1-CE2 3.82Å; F822-F949 AromaticContact CG-CE2 3.88Å; F822-F949 HydrophobicContact CG-CE2 3.88Å; F822-F949 HydrophobicContact CG-CZ 4.25Å
823	T	95.9	Very high	95.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.4	-42.7	175.1	-55.8	0	0	0	0	112	A819 G820 F825 V826 I827 A876 S880 P945	A819-T823 PolarHBondContact O-N 3.16Å; A819-T823 PolarHBondContact O-OG1 3.49Å; G820-T823 PolarHBondContact O-N 2.9Å; T823-F825 PolarHBondContact O-N 2.75Å; T823-V826 PolarHBondContact O-N 2.99Å; T823-I827 HydrophobicContact CG2-CD1 3.9Å; T823-I827 HydrophobicContact CG2-CG1 4.48Å; T823-I827 WeakPolarHBondContact O-CG1 3.43Å; T823-I827 PolarHBondContact O-N 2.91Å; T823-A876 HydrophobicContact CG2-CB 3.9Å; T823-S880 WeakPolarHBondContact CB-OG 3.3Å; T823-S880 WeakPolarHBondContact CG2-OG 3.38Å; T823-S880 PolarHBondContact OG1-OG 3.05Å; T823-P945 HydrophobicContact CG2-CB 4.46Å; T823-P945 HydrophobicContact CG2-CG 4.43Å
824	Y	95.9	Very high	95.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.8	-48.6	175.6	168.6	-92.7	0	0	0	112.1	I753 P754 P756 G820 F821 F822 I827 M828 L838 C873	I753-Y824 HydrophobicContact CD1-CE1 4.2Å; P754-Y824 WeakPolarHBondContact CD-OH 3.45Å; P754-Y824 PolarHBondContact O-OH 3.37Å; P756-Y824 HydrophobicContact CB-CD2 3.67Å; P756-Y824 HydrophobicContact CB-CE2 3.92Å; P756-Y824 HydrophobicContact CB-CG 4.13Å; P756-Y824 HydrophobicContact CG-CD2 4.22Å; P756-Y824 HydrophobicContact CG-CE2 4.04Å; G820-Y824 PolarHBondContact O-N 2.76Å; F821-Y824 WeakPolarHBondContact O-CB 3.29Å; F821-Y824 PolarHBondContact O-N 3.42Å; F822-Y824 VanDerWaalsContact C-N 3.34Å; F822-Y824 PolarHBondContact O-N 3.49Å; Y824-I827 PolarHBondContact O-N 3.25Å; Y824-M828 HydrophobicContact CD2-CE 4.4Å; Y824-M828 HydrophobicContact CD2-CG 4.41Å; Y824-M828 HydrophobicContact CE1-CG 4.19Å; Y824-M828 HydrophobicContact CE2-CE 3.52Å; Y824-M828 HydrophobicContact CE2-CG 4.11Å; Y824-M828 WeakPolarHBondContact O-CB 3.35Å; Y824-M828 WeakPolarHBondContact O-CG 3.42Å; Y824-M828 PolarHBondContact O-N 2.92Å; Y824-L838 HydrophobicContact CE1-CD1 3.87Å; Y824-C873 HydrophobicContact CD2-CB 3.96Å; Y824-C873 HydrophobicContact CE2-CB 4.34Å
825	F	95.3	Very high	94.9	Very high	67 Å²	67	28.3 Å²	28.3	29%	0.294	15%	0.153	S	C	.	.	H	α-helix	trans	-67.2	-36.8	179.2	-68.7	-53.7	0	0	0	112.8	F821 F822 T823 G829 P835 L838	F821-F825 HydrophobicContact CB-CD2 4.39Å; F821-F825 HydrophobicContact CB-CE2 4.05Å; F821-F825 HydrophobicContact CD1-CE2 4.43Å; F821-F825 WeakPolarHBondContact O-CD2 3.39Å; F821-F825 WeakPolarHBondContact O-CG 3.37Å; F821-F825 PolarHBondContact O-N 2.87Å; F822-F825 PolarHBondContact O-N 3.23Å; T823-F825 PolarHBondContact O-N 2.75Å; F825-G829 PolarHBondContact O-N 2.97Å; F825-P835 HydrophobicContact CB-CG 4.41Å; F825-P835 HydrophobicContact CD1-CB 4.21Å; F825-P835 HydrophobicContact CD1-CG 4.26Å; F825-L838 HydrophobicContact CD1-CD1 3.72Å; F825-L838 HydrophobicContact CE1-CD1 3.88Å
826	V	95.1	Very high	94.6	Very high	44 Å²	44	35 Å²	35	27%	0.267	18%	0.183	S	C	.	.	H	α-helix	trans	-60.5	-46.8	174.6	168.4	0	0	0	0	110.6	F822 T823 G829 D830 P945	F822-V826 HydrophobicContact CD1-CG2 4.35Å; F822-V826 HydrophobicContact CE1-CG2 4.03Å; F822-V826 HydrophobicContact CE2-CG2 4.28Å; F822-V826 HydrophobicContact CZ-CG2 3.98Å; F822-V826 VanDerWaalsContact O-CG2 3.29Å; F822-V826 WeakPolarHBondContact O-CG2 3.39Å; F822-V826 PolarHBondContact O-N 2.93Å; T823-V826 PolarHBondContact O-N 2.99Å; V826-G829 PolarHBondContact O-N 3.34Å; V826-D830 WeakPolarHBondContact O-CB 3.4Å; V826-D830 PolarHBondContact O-N 3.35Å; V826-P945 HydrophobicContact CG1-CG 4.38Å
827	I	95.3	Very high	94.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.6	-41.9	-178.1	-66.8	175.1	0	0	0	111.7	T823 Y824 G829 D830 N831 L869 A876 W942	T823-I827 HydrophobicContact CG2-CD1 3.9Å; T823-I827 HydrophobicContact CG2-CG1 4.48Å; T823-I827 WeakPolarHBondContact O-CG1 3.43Å; T823-I827 PolarHBondContact O-N 2.91Å; Y824-I827 PolarHBondContact O-N 3.25Å; I827-G829 VanDerWaalsContact C-N 3.34Å; I827-D830 PolarHBondContact O-N 3.07Å; I827-N831 PolarHBondContact O-N 2.85Å; I827-N831 PolarHBondContact O-ND2 3.47Å; I827-L869 HydrophobicContact CG2-CD1 4.09Å; I827-A876 HydrophobicContact CD1-CB 3Å; I827-A876 HydrophobicContact CG1-CB 4.5Å; I827-W942 HydrophobicContact CD1-CB 4.08Å; I827-W942 HydrophobicContact CD1-CD2 3.88Å; I827-W942 HydrophobicContact CD1-CE3 4.11Å; I827-W942 HydrophobicContact CD1-CG 3.91Å; I827-W942 HydrophobicContact CG1-CB 4.41Å; I827-W942 HydrophobicContact CG1-CD2 3.77Å; I827-W942 HydrophobicContact CG1-CE3 4.37Å; I827-W942 HydrophobicContact CG1-CG 3.8Å; I827-W942 HydrophobicContact CG1-CZ2 4.34Å; I827-W942 HydrophobicContact CG2-CH2 4.07Å; I827-W942 HydrophobicContact CG2-CZ2 3.99Å; I827-W942 HydrophobicContact CG2-CZ3 4.45Å
828	M	94.9	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-45.7	174.8	-74.6	-64.9	-168.9	0	0	110.8	P754 Y824 N831 G832 F833 L838 W845 L869	P754-M828 HydrophobicContact CB-CE 3.94Å; P754-M828 HydrophobicContact CG-CE 4.24Å; Y824-M828 HydrophobicContact CD2-CE 4.4Å; Y824-M828 HydrophobicContact CD2-CG 4.41Å; Y824-M828 HydrophobicContact CE1-CG 4.19Å; Y824-M828 HydrophobicContact CE2-CE 3.52Å; Y824-M828 HydrophobicContact CE2-CG 4.11Å; Y824-M828 WeakPolarHBondContact O-CB 3.35Å; Y824-M828 WeakPolarHBondContact O-CG 3.42Å; Y824-M828 PolarHBondContact O-N 2.92Å; M828-N831 CarbonylContact O-C 3.57Å; M828-N831 PolarHBondContact O-N 3.27Å; M828-G832 PolarHBondContact O-N 2.97Å; M828-G832 VanDerWaalsContact O-N 3.16Å; M828-F833 CarbonylContact C-O 3.51Å; M828-F833 HydrophobicContact CB-CB 4.17Å; M828-F833 WeakPolarHBondContact CB-O 3.25Å; M828-F833 CarbonylContact O-C 3.53Å; M828-F833 WeakPolarHBondContact O-CA 3.25Å; M828-F833 PolarHBondContact O-N 3.37Å; M828-F833 HydrophobicContact SD-CB 4.35Å; M828-L838 HydrophobicContact CB-CD1 3.91Å; M828-L838 HydrophobicContact CB-CD2 4.29Å; M828-L838 HydrophobicContact CG-CD1 4.09Å; M828-L838 HydrophobicContact CG-CD2 4.15Å; M828-L838 HydrophobicContact SD-CD2 4.19Å; M828-W845 HydrophobicContact CE-CH2 4.06Å; M828-W845 HydrophobicContact CE-CZ2 4.13Å; M828-W845 HydrophobicContact SD-CH2 4.13Å; M828-L869 HydrophobicContact SD-CD2 4.17Å; M828-L869 HydrophobicContact SD-CG 4.32Å
829	G	94	Very high	93.8	Very high	10 Å²	10	40.6 Å²	40.6	10%	0.103	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-44.5	177.1	0	0	0	0	0	113.5	F825 V826 I827 N831 G832 F833	F825-G829 PolarHBondContact O-N 2.97Å; V826-G829 PolarHBondContact O-N 3.34Å; I827-G829 VanDerWaalsContact C-N 3.34Å; G829-N831 PolarHBondContact O-N 3.11Å; G829-G832 PolarHBondContact O-N 2.92Å; G829-G832 VanDerWaalsContact O-N 3.09Å; G829-F833 PolarHBondContact N-O 3.15Å
830	D	92.5	Very high	93.4	Very high	87 Å²	87	42.4 Å²	42.4	47%	0.465	22%	0.222	S	C	.	.	H	α-helix	trans	-58.9	-30.3	175.8	-87.2	-0	0	0	0	112.7	V826 I827 W942	V826-D830 WeakPolarHBondContact O-CB 3.4Å; V826-D830 PolarHBondContact O-N 3.35Å; I827-D830 PolarHBondContact O-N 3.07Å; D830-W942 PolarHBondContact OD2-NE1 2.8Å
831	N	93.3	Very high	93.2	Very high	36 Å²	36	42.4 Å²	42.4	19%	0.193	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	12.7	179.7	-66.8	-86.1	0	0	0	113.2	I827 M828 G829 W861 L869	I827-N831 PolarHBondContact O-N 2.85Å; I827-N831 PolarHBondContact O-ND2 3.47Å; M828-N831 CarbonylContact O-C 3.57Å; M828-N831 PolarHBondContact O-N 3.27Å; G829-N831 PolarHBondContact O-N 3.11Å; N831-W861 HydrophobicContact CB-CH2 4.28Å; N831-W861 HydrophobicContact CB-CZ2 4.43Å; N831-W861 WeakPolarHBondContact O-CZ2 3.33Å; N831-L869 HydrophobicContact CB-CD1 3.8Å; N831-L869 HydrophobicContact CB-CD2 3.67Å; N831-L869 HydrophobicContact CB-CG 4.42Å; N831-L869 WeakPolarHBondContact ND2-CD1 3.24Å
832	G	92.3	Very high	92.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	-1.6	170.8	0	0	0	0	0	117	M828 G829 M834 D855 S856 Y857	M828-G832 PolarHBondContact O-N 2.97Å; M828-G832 VanDerWaalsContact O-N 3.16Å; G829-G832 PolarHBondContact O-N 2.92Å; G829-G832 VanDerWaalsContact O-N 3.09Å; G832-M834 PolarHBondContact O-N 2.88Å; G832-D855 WeakPolarHBondContact O-CB 3.29Å; G832-S856 WeakPolarHBondContact O-CA 3.38Å; G832-S856 WeakPolarHBondContact O-CB 3.26Å; G832-S856 PolarHBondContact O-N 2.87Å; G832-S856 PolarHBondContact O-OG 3.44Å; G832-Y857 VanDerWaalsContact CA-CE2 3.42Å
833	F	94.3	Very high	92.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.			trans	-99.5	87.4	174.1	-64.7	-85	0	0	0	110.1	M828 G829 R837 L838 L841 W845 L853 D855 W861 L869	M828-F833 CarbonylContact C-O 3.51Å; M828-F833 HydrophobicContact CB-CB 4.17Å; M828-F833 WeakPolarHBondContact CB-O 3.25Å; M828-F833 CarbonylContact O-C 3.53Å; M828-F833 WeakPolarHBondContact O-CA 3.25Å; M828-F833 PolarHBondContact O-N 3.37Å; M828-F833 HydrophobicContact SD-CB 4.35Å; G829-F833 PolarHBondContact N-O 3.15Å; F833-R837 HydrophobicContact CD1-CG 4.39Å; F833-L838 HydrophobicContact CB-CD2 3.75Å; F833-L838 HydrophobicContact CB-CG 4.46Å; F833-L841 HydrophobicContact CD1-CD2 3.72Å; F833-L841 HydrophobicContact CE1-CD2 4.04Å; F833-W845 AromaticContact CD1-CZ3 3.98Å; F833-W845 HydrophobicContact CD1-CZ3 3.98Å; F833-W845 HydrophobicContact CD2-CH2 4.31Å; F833-W845 HydrophobicContact CD2-CZ3 4.1Å; F833-W845 HydrophobicContact CE1-CE3 4.39Å; F833-W845 AromaticContact CE1-CZ3 3.72Å; F833-W845 HydrophobicContact CE1-CZ3 3.72Å; F833-W845 HydrophobicContact CE2-CH2 4.14Å; F833-W845 AromaticContact CE2-CZ3 3.85Å; F833-W845 HydrophobicContact CE2-CZ3 3.85Å; F833-W845 HydrophobicContact CG-CZ3 4.17Å; F833-W845 HydrophobicContact CZ-CH2 4.36Å; F833-W845 AromaticContact CZ-CZ3 3.65Å; F833-W845 HydrophobicContact CZ-CZ3 3.65Å; F833-L853 HydrophobicContact CE1-CD2 4.3Å; F833-D855 HydrophobicContact CD1-CB 4.15Å; F833-D855 HydrophobicContact CD2-CB 4.33Å; F833-D855 HydrophobicContact CE1-CB 3.79Å; F833-D855 HydrophobicContact CE2-CB 3.99Å; F833-D855 HydrophobicContact CG-CB 4.41Å; F833-D855 HydrophobicContact CZ-CB 3.7Å; F833-W861 AromaticContact CE2-CD1 4Å; F833-W861 AromaticContact CE2-CD2 3.97Å; F833-W861 HydrophobicContact CE2-CD2 3.97Å; F833-W861 AromaticContact CE2-CE2 3.81Å; F833-W861 HydrophobicContact CE2-CG 4.12Å; F833-W861 HydrophobicContact CE2-CZ2 4.32Å; F833-W861 AromaticContact CE2-NE1 3.8Å; F833-W861 HydrophobicContact CZ-CB 4.47Å; F833-W861 AromaticContact CZ-CD1 3.76Å; F833-W861 HydrophobicContact CZ-CD2 4.28Å; F833-W861 AromaticContact CZ-CG 3.94Å; F833-W861 HydrophobicContact CZ-CG 3.94Å; F833-L869 HydrophobicContact CD2-CD2 3.9Å; F833-L869 HydrophobicContact CE2-CD2 4.02Å
834	M	93	Very high	92.1	Very high	71 Å²	71	46.5 Å²	46.5	35%	0.35	25%	0.245	S	C	.	.			trans	-61	150	173.9	-69.7	-66.3	167.8	0	0	110.7	G832 E836 R837 L838 S856 Y857	G832-M834 PolarHBondContact O-N 2.88Å; M834-E836 PolarHBondContact O-N 3.32Å; M834-R837 PolarHBondContact O-N 3.48Å; M834-L838 PolarHBondContact O-N 2.74Å; M834-S856 PolarHBondContact N-OG 3.25Å; M834-Y857 HydrophobicContact CE-CE1 4.35Å; M834-Y857 HydrophobicContact CE-CE2 4.46Å; M834-Y857 WeakPolarHBondContact CE-OH 3.31Å
835	P	89.8	Confident	91.9	Very high	64 Å²	64	46.5 Å²	46.5	42%	0.416	25%	0.245	S	C	.	.	H	α-helix	trans	-51.5	-35.4	-176	-30.1	36	0	0	0	114.7	F825 R837 L838	F825-P835 HydrophobicContact CB-CG 4.41Å; F825-P835 HydrophobicContact CD1-CB 4.21Å; F825-P835 HydrophobicContact CD1-CG 4.26Å; P835-R837 VanDerWaalsContact C-N 3.34Å; P835-R837 PolarHBondContact O-N 3.43Å; P835-L838 PolarHBondContact O-N 3.01Å
836	E	89.8	Confident	91.5	Very high	178 Å²	178	45.4 Å²	45.4	83%	0.832	24%	0.242	S	C	*	.	H	α-helix	trans	-64.5	-34.8	177.8	-62.4	178.8	-177.3	0	0	113.1	M834 L838	M834-E836 PolarHBondContact O-N 3.32Å; E836-L838 VanDerWaalsContact C-N 3.32Å
837	R	91.5	Very high	91.2	Very high	69 Å²	69	45.4 Å²	45.4	26%	0.26	24%	0.244	S	C	.	.	H	α-helix	trans	-76.4	-19.9	178.8	179.2	56.2	-178.8	128.2	-2.4	112.6	F833 M834 P835 L841 E844 T854 S856	F833-R837 HydrophobicContact CD1-CG 4.39Å; M834-R837 PolarHBondContact O-N 3.48Å; P835-R837 VanDerWaalsContact C-N 3.34Å; P835-R837 PolarHBondContact O-N 3.43Å; R837-L841 VanDerWaalsContact NH1-CD1 3.32Å; R837-E844 IonicContact CZ-OE2 3.75Å; R837-E844 IonicContact NH1-OE2 3.73Å; R837-E844 IonicContact NH2-OE2 2.85Å; R837-E844 PolarHBondContact NH2-OE2 3.48Å; R837-T854 PolarHBondContact NE-O 2.97Å; R837-T854 PolarHBondContact NH2-O 3.29Å; R837-S856 WeakPolarHBondContact CB-OG 2.99Å
838	L	91.4	Very high	90.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-72.7	-30.4	-177.2	-65.5	174.1	0	0	0	112.7	I753 P754 Y824 F825 M828 F833 M834 P835 E836 G840 L841	I753-L838 HydrophobicContact CG2-CB 4.1Å; I753-L838 WeakPolarHBondContact CG2-O 3.45Å; P754-L838 HydrophobicContact CG-CD2 4.34Å; Y824-L838 HydrophobicContact CE1-CD1 3.87Å; F825-L838 HydrophobicContact CD1-CD1 3.72Å; F825-L838 HydrophobicContact CE1-CD1 3.88Å; M828-L838 HydrophobicContact CB-CD1 3.91Å; M828-L838 HydrophobicContact CB-CD2 4.29Å; M828-L838 HydrophobicContact CG-CD1 4.09Å; M828-L838 HydrophobicContact CG-CD2 4.15Å; M828-L838 HydrophobicContact SD-CD2 4.19Å; F833-L838 HydrophobicContact CB-CD2 3.75Å; F833-L838 HydrophobicContact CB-CG 4.46Å; M834-L838 PolarHBondContact O-N 2.74Å; P835-L838 PolarHBondContact O-N 3.01Å; E836-L838 VanDerWaalsContact C-N 3.32Å; L838-G840 PolarHBondContact O-N 2.71Å; L838-L841 HydrophobicContact CD2-CD2 3.94Å; L838-L841 WeakPolarHBondContact O-CB 3.21Å; L838-L841 PolarHBondContact O-N 2.83Å; L838-L841 VanDerWaalsContact O-N 3.09Å
839	L	91.2	Very high	90.4	Very high	106 Å²	106	55.6 Å²	55.6	56%	0.555	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	121.8	-178.4	-63.8	178.1	0	0	0	110.8	L751 I753 L841	L751-L839 HydrophobicContact CB-CD2 3.94Å; L751-L839 HydrophobicContact CD1-CD2 4.34Å; L751-L839 HydrophobicContact CD2-CD2 4.24Å; L751-L839 HydrophobicContact CG-CD2 4.41Å; I753-L839 HydrophobicContact CG2-CD2 4.29Å; L839-L841 PolarHBondContact O-N 3.41Å
840	G	88.1	Confident	90.3	Very high	39 Å²	39	56.9 Å²	56.9	40%	0.402	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	1.8	-177.1	0	0	0	0	0	115.5	L751 N752 L838 R842	L751-G840 PolarHBondContact O-N 3.05Å; L751-G840 VanDerWaalsContact O-N 3.11Å; N752-G840 CarbonylContact O-C 3.31Å; N752-G840 WeakPolarHBondContact O-CA 3.36Å; N752-G840 PolarHBondContact O-N 3.47Å; L838-G840 PolarHBondContact O-N 2.71Å; G840-R842 VanDerWaalsContact C-N 3.29Å; G840-R842 PolarHBondContact O-N 3.28Å
841	L	91.8	Very high	90.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.2	-174.1	-170.9	64	0	0	0	113.8	N752 P754 F833 R837 L838 L839 D843 E844 W845 L853	N752-L841 PolarHBondContact O-N 2.95Å; N752-L841 VanDerWaalsContact O-N 3.08Å; P754-L841 HydrophobicContact CG-CD2 4.14Å; F833-L841 HydrophobicContact CD1-CD2 3.72Å; F833-L841 HydrophobicContact CE1-CD2 4.04Å; R837-L841 VanDerWaalsContact NH1-CD1 3.32Å; L838-L841 HydrophobicContact CD2-CD2 3.94Å; L838-L841 WeakPolarHBondContact O-CB 3.21Å; L838-L841 PolarHBondContact O-N 2.83Å; L838-L841 VanDerWaalsContact O-N 3.09Å; L839-L841 PolarHBondContact O-N 3.41Å; L841-D843 VanDerWaalsContact C-N 3.34Å; L841-D843 PolarHBondContact O-N 2.95Å; L841-E844 PolarHBondContact O-N 3.3Å; L841-W845 HydrophobicContact CD2-CE3 3.58Å; L841-W845 HydrophobicContact CD2-CZ3 3.9Å; L841-W845 HydrophobicContact CG-CB 4.47Å; L841-W845 HydrophobicContact CG-CE3 4.04Å; L841-W845 VanDerWaalsContact O-CB 3.31Å; L841-W845 WeakPolarHBondContact O-CB 3.3Å; L841-W845 PolarHBondContact O-N 3.3Å; L841-L853 HydrophobicContact CD1-CD1 4.02Å; L841-L853 HydrophobicContact CD1-CD2 4.14Å
842	R	88.8	Confident	90.2	Very high	28 Å²	28	59.3 Å²	59.3	11%	0.106	32%	0.32	C	S	.	.	H	α-helix	trans	-53.4	-42.6	-170	-176.1	-164	82.8	101.5	5.4	114.4	F748 N752 G840 E844 W845 D846	F748-R842 HydrophobicContact CD2-CG 4.31Å; F748-R842 HydrophobicContact CE2-CG 3.58Å; F748-R842 VanDerWaalsContact CZ-CD 3.43Å; F748-R842 HydrophobicContact CZ-CG 3.79Å; N752-R842 HydrophobicContact CB-CB 4.28Å; N752-R842 WeakPolarHBondContact O-CB 3.32Å; N752-R842 PolarHBondContact O-N 3.16Å; G840-R842 VanDerWaalsContact C-N 3.29Å; G840-R842 PolarHBondContact O-N 3.28Å; R842-E844 PolarHBondContact O-N 3.16Å; R842-W845 WeakPolarHBondContact O-CB 3.29Å; R842-W845 PolarHBondContact O-N 3.37Å; R842-D846 WeakPolarHBondContact O-CB 3.47Å; R842-D846 PolarHBondContact O-N 3.31Å
843	D	85.9	Confident	90.2	Very high	95 Å²	95	59.5 Å²	59.5	51%	0.508	32%	0.321	S	S	.	.	H	α-helix	trans	-65.9	-40.7	-176.3	-67.2	-19.6	0	0	0	111.4	L841 S847	L841-D843 VanDerWaalsContact C-N 3.34Å; L841-D843 PolarHBondContact O-N 2.95Å; D843-S847 WeakPolarHBondContact O-CB 3.33Å; D843-S847 PolarHBondContact O-N 2.97Å
844	E	90.7	Very high	90.1	Very high	83 Å²	83	62.7 Å²	62.7	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-69.4	-38.8	172.4	-65.1	174.9	-164	0	0	111.2	R837 L841 R842 S847 L853 R866	R837-E844 IonicContact CZ-OE2 3.75Å; R837-E844 IonicContact NH1-OE2 3.73Å; R837-E844 IonicContact NH2-OE2 2.85Å; R837-E844 PolarHBondContact NH2-OE2 3.48Å; L841-E844 PolarHBondContact O-N 3.3Å; R842-E844 PolarHBondContact O-N 3.16Å; E844-S847 PolarHBondContact O-N 3.05Å; E844-L853 HydrophobicContact CB-CD1 3.79Å; E844-L853 WeakPolarHBondContact OE2-CD1 3.27Å; E844-R866 PolarHBondContact O-NH1 3.45Å; E844-R866 PolarHBondContact O-NH2 3.2Å
845	W	91.8	Very high	90.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.8	-41.5	-178.4	-168.3	-84.8	0	0	0	113.1	P754 M828 F833 L841 R842 L853 R866 L869 E870	P754-W845 HydrophobicContact CB-CD2 3.94Å; P754-W845 HydrophobicContact CB-CG 4.09Å; P754-W845 HydrophobicContact CB-CZ2 4.19Å; P754-W845 HydrophobicContact CG-CB 4.38Å; P754-W845 HydrophobicContact CG-CD2 3.54Å; P754-W845 HydrophobicContact CG-CE3 3.74Å; P754-W845 HydrophobicContact CG-CG 3.83Å; P754-W845 HydrophobicContact CG-CH2 4.42Å; P754-W845 HydrophobicContact CG-CZ2 4.28Å; P754-W845 HydrophobicContact CG-CZ3 4.17Å; M828-W845 HydrophobicContact CE-CH2 4.06Å; M828-W845 HydrophobicContact CE-CZ2 4.13Å; M828-W845 HydrophobicContact SD-CH2 4.13Å; F833-W845 AromaticContact CD1-CZ3 3.98Å; F833-W845 HydrophobicContact CD1-CZ3 3.98Å; F833-W845 HydrophobicContact CD2-CH2 4.31Å; F833-W845 HydrophobicContact CD2-CZ3 4.1Å; F833-W845 HydrophobicContact CE1-CE3 4.39Å; F833-W845 AromaticContact CE1-CZ3 3.72Å; F833-W845 HydrophobicContact CE1-CZ3 3.72Å; F833-W845 HydrophobicContact CE2-CH2 4.14Å; F833-W845 AromaticContact CE2-CZ3 3.85Å; F833-W845 HydrophobicContact CE2-CZ3 3.85Å; F833-W845 HydrophobicContact CG-CZ3 4.17Å; F833-W845 HydrophobicContact CZ-CH2 4.36Å; F833-W845 AromaticContact CZ-CZ3 3.65Å; F833-W845 HydrophobicContact CZ-CZ3 3.65Å; L841-W845 HydrophobicContact CD2-CE3 3.58Å; L841-W845 HydrophobicContact CD2-CZ3 3.9Å; L841-W845 HydrophobicContact CG-CB 4.47Å; L841-W845 HydrophobicContact CG-CE3 4.04Å; L841-W845 VanDerWaalsContact O-CB 3.31Å; L841-W845 WeakPolarHBondContact O-CB 3.3Å; L841-W845 PolarHBondContact O-N 3.3Å; R842-W845 WeakPolarHBondContact O-CB 3.29Å; R842-W845 PolarHBondContact O-N 3.37Å; W845-L853 HydrophobicContact CE3-CD2 3.74Å; W845-L853 HydrophobicContact CZ3-CD2 4.38Å; W845-R866 HydrophobicContact CD2-CB 4.36Å; W845-R866 HydrophobicContact CD2-CG 4.44Å; W845-R866 HydrophobicContact CE3-CB 4.42Å; W845-R866 HydrophobicContact CH2-CB 3.94Å; W845-R866 HydrophobicContact CZ2-CB 3.83Å; W845-R866 WeakPolarHBondContact CZ2-O 2.9Å; W845-R866 HydrophobicContact CZ3-CB 4.23Å; W845-R866 PolarHBondContact O-NE 3.42Å; W845-R866 PolarHBondContact O-NH2 3.45Å; W845-L869 HydrophobicContact CH2-CD2 4.13Å; W845-E870 VanDerWaalsContact CD1-OE2 3.26Å; W845-E870 HydrophobicContact CZ2-CB 4.14Å; W845-E870 PolarHBondContact NE1-OE2 3.4Å
846	D	86.7	Confident	90.2	Very high	44 Å²	44	59.1 Å²	59.1	24%	0.235	32%	0.323	C	S	.	.	H	α-helix	trans	-85.4	-16.3	-179.8	-78	-19.6	0	0	0	113.3	R842 R848 K867	R842-D846 WeakPolarHBondContact O-CB 3.47Å; R842-D846 PolarHBondContact O-N 3.31Å; D846-R848 PolarHBondContact O-N 2.95Å; D846-K867 IonicContact OD1-NZ 3.82Å; D846-K867 PolarHBondContact OD1-NZ 3.48Å
847	S	87.7	Confident	90.4	Very high	44 Å²	44	57.4 Å²	57.4	31%	0.308	31%	0.31	S	S	.	.			trans	-73.2	107	-179.1	179.7	0	0	0	0	112.9	D843 E844 A849 V850 R866	D843-S847 WeakPolarHBondContact O-CB 3.33Å; D843-S847 PolarHBondContact O-N 2.97Å; E844-S847 PolarHBondContact O-N 3.05Å; S847-A849 PolarHBondContact O-N 2.82Å; S847-A849 PolarHBondContact OG-N 2.91Å; S847-V850 PolarHBondContact O-N 3.19Å; S847-R866 PolarHBondContact O-NH2 3.42Å
848	R	85.9	Confident	90.3	Very high	125 Å²	125	56.8 Å²	56.8	47%	0.472	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.4	174.8	-66.3	-176.8	-175.8	-174.8	4.8	114.7	T79 D846 V850 N851 Y863	T79-R848 VanDerWaalsContact OG1-CZ 3.28Å; T79-R848 PolarHBondContact OG1-NH1 3.47Å; T79-R848 PolarHBondContact OG1-NH2 3.43Å; D846-R848 PolarHBondContact O-N 2.95Å; R848-V850 VanDerWaalsContact C-N 3.34Å; R848-N851 PolarHBondContact O-ND2 3.01Å; R848-Y863 HydrophobicContact CB-CD2 4.4Å; R848-Y863 HydrophobicContact CG-CD1 4.35Å; R848-Y863 HydrophobicContact CG-CD2 3.91Å; R848-Y863 HydrophobicContact CG-CE1 4.07Å; R848-Y863 HydrophobicContact CG-CE2 3.6Å; R848-Y863 HydrophobicContact CG-CG 4.29Å
849	A	88.7	Confident	90.4	Very high	89 Å²	89	62 Å²	62	74%	0.736	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-29.3	176	0	0	0	0	0	111.9	S847	S847-A849 PolarHBondContact O-N 2.82Å; S847-A849 PolarHBondContact OG-N 2.91Å
850	V	89.9	Confident	90.5	Very high	36 Å²	36	63.6 Å²	63.6	22%	0.218	35%	0.354	C	S	.	.			trans	-85.6	113.2	179	-176.8	0	0	0	0	109	S847 R848 L853 R866	S847-V850 PolarHBondContact O-N 3.19Å; R848-V850 VanDerWaalsContact C-N 3.34Å; V850-L853 HydrophobicContact CG1-CB 3.99Å; V850-R866 PolarHBondContact O-NH1 2.88Å; V850-R866 VanDerWaalsContact O-NH1 3.15Å; V850-R866 PolarHBondContact O-NH2 2.93Å; V850-R866 VanDerWaalsContact O-NH2 3.12Å
851	N	91.9	Very high	90.9	Very high	82 Å²	82	63.7 Å²	63.7	44%	0.439	34%	0.343	S	S	.	.			trans	-120.3	8.8	178.2	-75.3	-71.8	0	0	0	113.3	R848 W861 T862 Y863	R848-N851 PolarHBondContact O-ND2 3.01Å; N851-W861 CarbonylContact C-O 3.54Å; N851-W861 VanDerWaalsContact C-O 3.31Å; N851-W861 CarbonylContact O-C 3.53Å; N851-T862 VanDerWaalsContact O-CA 3.3Å; N851-T862 WeakPolarHBondContact O-CA 3.25Å; N851-Y863 WeakPolarHBondContact OD1-CB 3.29Å; N851-Y863 PolarHBondContact OD1-N 3.2Å
852	D	91.9	Very high	91	Very high	93 Å²	93	66.6 Å²	66.6	50%	0.497	36%	0.36	S	S	.	.			trans	-135.2	31.7	-172.3	55.6	-26.2	0	0	0	110.8	T854 Q860	D852-T854 PolarHBondContact O-N 2.69Å; D852-Q860 HydrophobicContact CB-CG 4.43Å
853	L	92.3	Very high	91.2	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.021	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	120.3	-177.8	180	61.8	0	0	0	110.3	F833 L841 E844 W845 V850 Q860 W861	F833-L853 HydrophobicContact CE1-CD2 4.3Å; L841-L853 HydrophobicContact CD1-CD1 4.02Å; L841-L853 HydrophobicContact CD1-CD2 4.14Å; E844-L853 HydrophobicContact CB-CD1 3.79Å; E844-L853 WeakPolarHBondContact OE2-CD1 3.27Å; W845-L853 HydrophobicContact CE3-CD2 3.74Å; W845-L853 HydrophobicContact CZ3-CD2 4.38Å; V850-L853 HydrophobicContact CG1-CB 3.99Å; L853-Q860 WeakPolarHBondContact O-CA 3.32Å; L853-W861 PolarHBondContact N-O 3.17Å; L853-W861 PolarHBondContact O-N 3.46Å
854	T	92.3	Very high	91.4	Very high	67 Å²	67	66.3 Å²	66.3	41%	0.411	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.4	-179.6	49.8	0	0	0	0	111.7	R837 D852 Q859 Q860	R837-T854 PolarHBondContact NE-O 2.97Å; R837-T854 PolarHBondContact NH2-O 3.29Å; D852-T854 PolarHBondContact O-N 2.69Å; T854-Q859 VanDerWaalsContact CA-O 3.31Å; T854-Q859 WeakPolarHBondContact CA-O 3.26Å; T854-Q860 HydrophobicContact CG2-CG 4.18Å
855	D	93.1	Very high	91.5	Very high	8 Å²	8	65 Å²	65	4%	0.043	37%	0.366	C	S	.	.			trans	-82.8	-176.9	171.3	75.2	12.4	0	0	0	111.8	G832 F833 Y857 G858 Q859 W861	G832-D855 WeakPolarHBondContact O-CB 3.29Å; F833-D855 HydrophobicContact CD1-CB 4.15Å; F833-D855 HydrophobicContact CD2-CB 4.33Å; F833-D855 HydrophobicContact CE1-CB 3.79Å; F833-D855 HydrophobicContact CE2-CB 3.99Å; F833-D855 HydrophobicContact CG-CB 4.41Å; F833-D855 HydrophobicContact CZ-CB 3.7Å; D855-Y857 PolarHBondContact O-N 2.94Å; D855-Y857 VanDerWaalsContact OD1-C 3.28Å; D855-Y857 WeakPolarHBondContact OD1-CA 3.42Å; D855-Y857 PolarHBondContact OD1-N 2.88Å; D855-G858 PolarHBondContact O-N 3.01Å; D855-G858 PolarHBondContact OD1-N 3.32Å; D855-Q859 PolarHBondContact N-O 2.85Å; D855-Q859 PolarHBondContact OD1-N 3.4Å; D855-Q859 WeakPolarHBondContact OD2-CB 3.21Å; D855-W861 PolarHBondContact OD2-NE1 3.5Å
856	S	93.5	Very high	91.6	Very high	52 Å²	52	65 Å²	65	36%	0.364	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.8	-178.4	-44.6	0	0	0	0	113	G832 M834 R837	G832-S856 WeakPolarHBondContact O-CA 3.38Å; G832-S856 WeakPolarHBondContact O-CB 3.26Å; G832-S856 PolarHBondContact O-N 2.87Å; G832-S856 PolarHBondContact O-OG 3.44Å; M834-S856 PolarHBondContact N-OG 3.25Å; R837-S856 WeakPolarHBondContact CB-OG 2.99Å
857	Y	92.7	Very high	91.9	Very high	142 Å²	142	63.7 Å²	63.7	56%	0.557	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	0.5	174.7	-62.7	-57.2	0	0	0	112.5	G832 M834 D855	G832-Y857 VanDerWaalsContact CA-CE2 3.42Å; M834-Y857 HydrophobicContact CE-CE1 4.35Å; M834-Y857 HydrophobicContact CE-CE2 4.46Å; M834-Y857 WeakPolarHBondContact CE-OH 3.31Å; D855-Y857 PolarHBondContact O-N 2.94Å; D855-Y857 VanDerWaalsContact OD1-C 3.28Å; D855-Y857 WeakPolarHBondContact OD1-CA 3.42Å; D855-Y857 PolarHBondContact OD1-N 2.88Å
858	G	90.5	Very high	92.1	Very high	56 Å²	56	64.3 Å²	64.3	58%	0.577	36%	0.36	S	S	*	.	S	Bend	trans	82.2	11.9	-179.6	0	0	0	0	0	115	D855	D855-G858 PolarHBondContact O-N 3.01Å; D855-G858 PolarHBondContact OD1-N 3.32Å
859	Q	93.3	Very high	92.5	Very high	109 Å²	109	58.8 Å²	58.8	51%	0.509	34%	0.34	S	S	.	.			trans	-80.9	147	175.3	-49.6	176	51.6	0	0	110.4	T854 D855	T854-Q859 VanDerWaalsContact CA-O 3.31Å; T854-Q859 WeakPolarHBondContact CA-O 3.26Å; D855-Q859 PolarHBondContact N-O 2.85Å; D855-Q859 PolarHBondContact OD1-N 3.4Å; D855-Q859 WeakPolarHBondContact OD2-CB 3.21Å
860	Q	93.7	Very high	92.8	Very high	140 Å²	140	55 Å²	55	65%	0.654	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.8	179.7	-70.3	-179.2	-16.5	0	0	111.3	D852 L853 T854	D852-Q860 HydrophobicContact CB-CG 4.43Å; L853-Q860 WeakPolarHBondContact O-CA 3.32Å; T854-Q860 HydrophobicContact CG2-CG 4.18Å
861	W	95.1	Very high	92.9	Very high	41 Å²	41	54.9 Å²	54.9	16%	0.155	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.7	-177.5	-72.1	75.2	0	0	0	112	N831 F833 N851 L853 D855 R866 L869	N831-W861 HydrophobicContact CB-CH2 4.28Å; N831-W861 HydrophobicContact CB-CZ2 4.43Å; N831-W861 WeakPolarHBondContact O-CZ2 3.33Å; F833-W861 AromaticContact CE2-CD1 4Å; F833-W861 AromaticContact CE2-CD2 3.97Å; F833-W861 HydrophobicContact CE2-CD2 3.97Å; F833-W861 AromaticContact CE2-CE2 3.81Å; F833-W861 HydrophobicContact CE2-CG 4.12Å; F833-W861 HydrophobicContact CE2-CZ2 4.32Å; F833-W861 AromaticContact CE2-NE1 3.8Å; F833-W861 HydrophobicContact CZ-CB 4.47Å; F833-W861 AromaticContact CZ-CD1 3.76Å; F833-W861 HydrophobicContact CZ-CD2 4.28Å; F833-W861 AromaticContact CZ-CG 3.94Å; F833-W861 HydrophobicContact CZ-CG 3.94Å; N851-W861 CarbonylContact C-O 3.54Å; N851-W861 VanDerWaalsContact C-O 3.31Å; N851-W861 CarbonylContact O-C 3.53Å; L853-W861 PolarHBondContact N-O 3.17Å; L853-W861 PolarHBondContact O-N 3.46Å; D855-W861 PolarHBondContact OD2-NE1 3.5Å; W861-R866 HydrophobicContact CB-CB 4.49Å; W861-L869 HydrophobicContact CH2-CD2 4.1Å; W861-L869 HydrophobicContact CZ3-CB 4.32Å; W861-L869 HydrophobicContact CZ3-CD2 4.14Å
862	T	94.9	Very high	93.1	Very high	60 Å²	60	51.6 Å²	51.6	37%	0.368	29%	0.286	S	S	.	.			trans	-72	157.4	171.7	66.9	0	0	0	0	111.6	N851 A864 S865 R866	N851-T862 VanDerWaalsContact O-CA 3.3Å; N851-T862 WeakPolarHBondContact O-CA 3.25Å; T862-A864 PolarHBondContact O-N 2.87Å; T862-S865 PolarHBondContact O-N 2.89Å; T862-S865 VanDerWaalsContact O-N 3.11Å; T862-S865 PolarHBondContact OG1-N 3.19Å; T862-S865 PolarHBondContact OG1-OG 3.14Å; T862-R866 WeakPolarHBondContact O-CG 3.46Å; T862-R866 PolarHBondContact O-N 3.28Å
863	Y	91.7	Very high	93.2	Very high	54 Å²	54	47.2 Å²	47.2	21%	0.212	26%	0.262	C	S	.	.	H	α-helix	trans	-54.7	-40	177	175.8	-91.7	0	0	0	112.2	R848 N851 R866 K867	R848-Y863 HydrophobicContact CB-CD2 4.4Å; R848-Y863 HydrophobicContact CG-CD1 4.35Å; R848-Y863 HydrophobicContact CG-CD2 3.91Å; R848-Y863 HydrophobicContact CG-CE1 4.07Å; R848-Y863 HydrophobicContact CG-CE2 3.6Å; R848-Y863 HydrophobicContact CG-CG 4.29Å; N851-Y863 WeakPolarHBondContact OD1-CB 3.29Å; N851-Y863 PolarHBondContact OD1-N 3.2Å; Y863-R866 WeakPolarHBondContact O-CG 3.43Å; Y863-K867 HydrophobicContact CD1-CG 4.28Å; Y863-K867 HydrophobicContact CD2-CG 4.42Å; Y863-K867 HydrophobicContact CE1-CG 3.84Å; Y863-K867 HydrophobicContact CE2-CD 4.45Å; Y863-K867 HydrophobicContact CE2-CG 4.01Å; Y863-K867 WeakPolarHBondContact O-CB 3.16Å; Y863-K867 VanDerWaalsContact O-CG 3.25Å; Y863-K867 WeakPolarHBondContact O-CG 3.49Å; Y863-K867 PolarHBondContact O-N 3.3Å; Y863-K867 VanDerWaalsContact O-N 3.13Å
864	A	90.7	Very high	93.3	Very high	64 Å²	64	47.6 Å²	47.6	53%	0.529	26%	0.264	S	S	.	.	H	α-helix	trans	-65.5	-46.4	178	0	0	0	0	0	111.9	T862 K867 V868	T862-A864 PolarHBondContact O-N 2.87Å; A864-K867 PolarHBondContact O-N 3.03Å; A864-V868 WeakPolarHBondContact O-CG2 3.47Å; A864-V868 PolarHBondContact O-N 2.95Å
865	S	93.1	Very high	93.5	Very high	54 Å²	54	44.4 Å²	44.4	38%	0.378	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-42.2	-176.2	-51.7	0	0	0	0	112	T862 V868 L869	T862-S865 PolarHBondContact O-N 2.89Å; T862-S865 VanDerWaalsContact O-N 3.11Å; T862-S865 PolarHBondContact OG1-N 3.19Å; T862-S865 PolarHBondContact OG1-OG 3.14Å; S865-V868 WeakPolarHBondContact O-CB 3.36Å; S865-V868 PolarHBondContact O-N 3.17Å; S865-L869 PolarHBondContact O-N 3.41Å; S865-L869 VanDerWaalsContact O-N 3.11Å
866	R	93.9	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.6	-33.5	176.7	70.5	-172	-178.9	-159.5	1.6	112.8	E844 W845 S847 V850 W861 T862 Y863 L869 E870	E844-R866 PolarHBondContact O-NH1 3.45Å; E844-R866 PolarHBondContact O-NH2 3.2Å; W845-R866 HydrophobicContact CD2-CB 4.36Å; W845-R866 HydrophobicContact CD2-CG 4.44Å; W845-R866 HydrophobicContact CE3-CB 4.42Å; W845-R866 HydrophobicContact CH2-CB 3.94Å; W845-R866 HydrophobicContact CZ2-CB 3.83Å; W845-R866 WeakPolarHBondContact CZ2-O 2.9Å; W845-R866 HydrophobicContact CZ3-CB 4.23Å; W845-R866 PolarHBondContact O-NE 3.42Å; W845-R866 PolarHBondContact O-NH2 3.45Å; S847-R866 PolarHBondContact O-NH2 3.42Å; V850-R866 PolarHBondContact O-NH1 2.88Å; V850-R866 VanDerWaalsContact O-NH1 3.15Å; V850-R866 PolarHBondContact O-NH2 2.93Å; V850-R866 VanDerWaalsContact O-NH2 3.12Å; W861-R866 HydrophobicContact CB-CB 4.49Å; T862-R866 WeakPolarHBondContact O-CG 3.46Å; T862-R866 PolarHBondContact O-N 3.28Å; Y863-R866 WeakPolarHBondContact O-CG 3.43Å; R866-L869 WeakPolarHBondContact O-CB 3.36Å; R866-L869 PolarHBondContact O-N 3.06Å; R866-E870 PolarHBondContact O-N 3.01Å
867	K	92.5	Very high	93.7	Very high	17 Å²	17	41.5 Å²	41.5	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-69.1	-33.8	174	-73.6	-66	175.6	-169.4	0	112.6	D846 Y863 A864 L869 E870 Y871	D846-K867 IonicContact OD1-NZ 3.82Å; D846-K867 PolarHBondContact OD1-NZ 3.48Å; Y863-K867 HydrophobicContact CD1-CG 4.28Å; Y863-K867 HydrophobicContact CD2-CG 4.42Å; Y863-K867 HydrophobicContact CE1-CG 3.84Å; Y863-K867 HydrophobicContact CE2-CD 4.45Å; Y863-K867 HydrophobicContact CE2-CG 4.01Å; Y863-K867 WeakPolarHBondContact O-CB 3.16Å; Y863-K867 VanDerWaalsContact O-CG 3.25Å; Y863-K867 WeakPolarHBondContact O-CG 3.49Å; Y863-K867 PolarHBondContact O-N 3.3Å; Y863-K867 VanDerWaalsContact O-N 3.13Å; A864-K867 PolarHBondContact O-N 3.03Å; K867-L869 VanDerWaalsContact C-N 3.34Å; K867-E870 VanDerWaalsContact CD-OE2 3.3Å; K867-E870 WeakPolarHBondContact CD-OE2 3.22Å; K867-E870 WeakPolarHBondContact CE-OE2 3.19Å; K867-E870 VanDerWaalsContact NZ-CD 3.27Å; K867-E870 IonicContact NZ-OE1 2.67Å; K867-E870 PolarHBondContact NZ-OE1 3.37Å; K867-E870 VanDerWaalsContact NZ-OE1 3.09Å; K867-E870 IonicContact NZ-OE2 3.09Å; K867-E870 PolarHBondContact NZ-OE2 3.31Å; K867-E870 PolarHBondContact O-N 3.49Å; K867-Y871 HydrophobicContact CB-CE2 4.18Å; K867-Y871 WeakPolarHBondContact O-CD2 3.5Å; K867-Y871 PolarHBondContact O-N 3.45Å
868	V	93.1	Very high	93.9	Very high	58 Å²	58	34.8 Å²	34.8	35%	0.352	20%	0.198	S	C	.	.	H	α-helix	trans	-59.6	-48.2	168.6	170.3	0	0	0	0	109.9	A864 S865 E870 Y871 T872 Y936	A864-V868 WeakPolarHBondContact O-CG2 3.47Å; A864-V868 PolarHBondContact O-N 2.95Å; S865-V868 WeakPolarHBondContact O-CB 3.36Å; S865-V868 PolarHBondContact O-N 3.17Å; V868-E870 PolarHBondContact O-N 3.42Å; V868-Y871 PolarHBondContact O-N 3.3Å; V868-T872 PolarHBondContact O-N 2.9Å; V868-T872 PolarHBondContact O-OG1 3.47Å; V868-Y936 HydrophobicContact CB-CE1 4.32Å; V868-Y936 HydrophobicContact CG1-CD1 3.86Å; V868-Y936 HydrophobicContact CG1-CE1 3.74Å; V868-Y936 HydrophobicContact CG2-CE1 3.98Å
869	L	94.2	Very high	94.1	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-60.8	-41.8	177.3	179.7	58.8	0	0	0	112.9	I827 M828 N831 F833 W845 W861 S865 R866 K867 T872 C873	I827-L869 HydrophobicContact CG2-CD1 4.09Å; M828-L869 HydrophobicContact SD-CD2 4.17Å; M828-L869 HydrophobicContact SD-CG 4.32Å; N831-L869 HydrophobicContact CB-CD1 3.8Å; N831-L869 HydrophobicContact CB-CD2 3.67Å; N831-L869 HydrophobicContact CB-CG 4.42Å; N831-L869 WeakPolarHBondContact ND2-CD1 3.24Å; F833-L869 HydrophobicContact CD2-CD2 3.9Å; F833-L869 HydrophobicContact CE2-CD2 4.02Å; W845-L869 HydrophobicContact CH2-CD2 4.13Å; W861-L869 HydrophobicContact CH2-CD2 4.1Å; W861-L869 HydrophobicContact CZ3-CB 4.32Å; W861-L869 HydrophobicContact CZ3-CD2 4.14Å; S865-L869 PolarHBondContact O-N 3.41Å; S865-L869 VanDerWaalsContact O-N 3.11Å; R866-L869 WeakPolarHBondContact O-CB 3.36Å; R866-L869 PolarHBondContact O-N 3.06Å; K867-L869 VanDerWaalsContact C-N 3.34Å; L869-T872 WeakPolarHBondContact O-CB 3.23Å; L869-T872 PolarHBondContact O-N 2.98Å; L869-C873 PolarHBondContact O-N 3.04Å; L869-C873 PolarHBondContact O-SG 2.7Å
870	E	94	Very high	94.2	Very high	11 Å²	11	27 Å²	27	5%	0.051	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-47.2	174.2	177.8	-179	135.4	0	0	111.9	W845 R866 K867 V868 T872 C873 H874	W845-E870 VanDerWaalsContact CD1-OE2 3.26Å; W845-E870 HydrophobicContact CZ2-CB 4.14Å; W845-E870 PolarHBondContact NE1-OE2 3.4Å; R866-E870 PolarHBondContact O-N 3.01Å; K867-E870 VanDerWaalsContact CD-OE2 3.3Å; K867-E870 WeakPolarHBondContact CD-OE2 3.22Å; K867-E870 WeakPolarHBondContact CE-OE2 3.19Å; K867-E870 VanDerWaalsContact NZ-CD 3.27Å; K867-E870 IonicContact NZ-OE1 2.67Å; K867-E870 PolarHBondContact NZ-OE1 3.37Å; K867-E870 VanDerWaalsContact NZ-OE1 3.09Å; K867-E870 IonicContact NZ-OE2 3.09Å; K867-E870 PolarHBondContact NZ-OE2 3.31Å; K867-E870 PolarHBondContact O-N 3.49Å; V868-E870 PolarHBondContact O-N 3.42Å; E870-T872 VanDerWaalsContact C-N 3.33Å; E870-T872 PolarHBondContact O-N 2.99Å; E870-C873 CarbonylContact O-C 3.49Å; E870-C873 WeakPolarHBondContact O-CA 3.48Å; E870-C873 VanDerWaalsContact O-CB 3.3Å; E870-C873 WeakPolarHBondContact O-CB 3.28Å; E870-C873 PolarHBondContact O-N 3.37Å; E870-H874 PolarHBondContact O-CD2 3.16Å; E870-H874 VanDerWaalsContact O-CD2 3.24Å; E870-H874 PolarHBondContact O-N 3.18Å
871	Y	93.5	Very high	94.3	Very high	33 Å²	33	20.3 Å²	20.3	13%	0.129	12%	0.116	C	C	.	.	H	α-helix	trans	-69.3	-31.2	178.2	-60.8	-36.8	0	0	0	112.9	K867 V868 C873 H874 T875 R934 Y936	K867-Y871 HydrophobicContact CB-CE2 4.18Å; K867-Y871 WeakPolarHBondContact O-CD2 3.5Å; K867-Y871 PolarHBondContact O-N 3.45Å; V868-Y871 PolarHBondContact O-N 3.3Å; Y871-C873 VanDerWaalsContact C-N 3.32Å; Y871-H874 AromaticContact CD1-CE1 3.91Å; Y871-H874 AromaticContact CD1-ND1 3.75Å; Y871-H874 PolarHBondContact O-N 3.33Å; Y871-T875 PolarHBondContact O-N 3.44Å; Y871-T875 PolarHBondContact O-OG1 2.9Å; Y871-R934 HydrophobicContact CD1-CB 4.16Å; Y871-R934 HydrophobicContact CD2-CB 4.38Å; Y871-R934 HydrophobicContact CE1-CB 4.5Å; Y871-R934 HydrophobicContact CG-CB 4.11Å; Y871-R934 PolarHBondContact OH-NH1 3.04Å; Y871-Y936 VanDerWaalsContact CB-CE2 3.47Å; Y871-Y936 HydrophobicContact CD2-CD2 4.38Å; Y871-Y936 AromaticContact CD2-CE2 3.58Å; Y871-Y936 HydrophobicContact CD2-CE2 3.58Å; Y871-Y936 HydrophobicContact CG-CD2 4.33Å; Y871-Y936 AromaticContact CG-CE2 3.95Å; Y871-Y936 HydrophobicContact CG-CE2 3.95Å
872	T	94.8	Very high	94.4	Very high	13 Å²	13	18.4 Å²	18.4	8%	0.08	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-41.7	167	-58.9	0	0	0	0	110.9	V868 L869 E870 T875 A876 L938 W942	V868-T872 PolarHBondContact O-N 2.9Å; V868-T872 PolarHBondContact O-OG1 3.47Å; L869-T872 WeakPolarHBondContact O-CB 3.23Å; L869-T872 PolarHBondContact O-N 2.98Å; E870-T872 VanDerWaalsContact C-N 3.33Å; E870-T872 PolarHBondContact O-N 2.99Å; T872-T875 PolarHBondContact O-N 2.92Å; T872-A876 WeakPolarHBondContact O-CB 3.31Å; T872-A876 PolarHBondContact O-N 2.99Å; T872-L938 HydrophobicContact CG2-CD2 3.88Å; T872-W942 HydrophobicContact CG2-CE3 4.15Å; T872-W942 HydrophobicContact CG2-CH2 4.06Å; T872-W942 HydrophobicContact CG2-CZ3 3.39Å
873	C	95.4	Very high	94.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.2	-42.4	174.8	-65.7	0	0	0	0	112	Y824 L869 E870 Y871 T875 A876 F877	Y824-C873 HydrophobicContact CD2-CB 3.96Å; Y824-C873 HydrophobicContact CE2-CB 4.34Å; L869-C873 PolarHBondContact O-N 3.04Å; L869-C873 PolarHBondContact O-SG 2.7Å; E870-C873 CarbonylContact O-C 3.49Å; E870-C873 WeakPolarHBondContact O-CA 3.48Å; E870-C873 VanDerWaalsContact O-CB 3.3Å; E870-C873 WeakPolarHBondContact O-CB 3.28Å; E870-C873 PolarHBondContact O-N 3.37Å; Y871-C873 VanDerWaalsContact C-N 3.32Å; C873-T875 VanDerWaalsContact C-N 3.27Å; C873-T875 PolarHBondContact O-N 3.11Å; C873-A876 PolarHBondContact O-N 3.39Å; C873-F877 WeakPolarHBondContact O-CB 3.46Å; C873-F877 PolarHBondContact O-N 2.9Å
874	H	94.3	Very high	94.7	Very high	12 Å²	12	13.1 Å²	13.1	6%	0.056	8%	0.082	C	C	.	.	H	α-helix	trans	-56.3	-44	173.6	-64.6	-179.5	0	0	0	111.5	L755 P756 T761 E870 Y871 F878	L755-H874 PolarHBondContact O-CD2 3.42Å; L755-H874 VanDerWaalsContact O-CD2 3.24Å; L755-H874 PolarHBondContact O-NE2 3.16Å; P756-H874 WeakPolarHBondContact O-CA 3.17Å; P756-H874 PolarHBondContact O-CD2 3.31Å; T761-H874 HydrophobicContact CG2-CB 4Å; E870-H874 PolarHBondContact O-CD2 3.16Å; E870-H874 VanDerWaalsContact O-CD2 3.24Å; E870-H874 PolarHBondContact O-N 3.18Å; Y871-H874 AromaticContact CD1-CE1 3.91Å; Y871-H874 AromaticContact CD1-ND1 3.75Å; Y871-H874 PolarHBondContact O-N 3.33Å; H874-F878 VanDerWaalsContact O-CB 3.29Å; H874-F878 WeakPolarHBondContact O-CB 3.36Å; H874-F878 PolarHBondContact O-N 3.25Å
875	T	95.1	Very high	94.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.8	-38.8	-179.3	-47.2	0	0	0	0	111.4	Y871 T872 C873 F878 V879 A924 M935 Y936 L938	Y871-T875 PolarHBondContact O-N 3.44Å; Y871-T875 PolarHBondContact O-OG1 2.9Å; T872-T875 PolarHBondContact O-N 2.92Å; C873-T875 VanDerWaalsContact C-N 3.27Å; C873-T875 PolarHBondContact O-N 3.11Å; T875-F878 WeakPolarHBondContact O-CB 3.44Å; T875-V879 WeakPolarHBondContact O-CG2 3.3Å; T875-V879 PolarHBondContact O-N 3.43Å; T875-A924 HydrophobicContact CG2-CB 3.9Å; T875-M935 HydrophobicContact CG2-CB 4.19Å; T875-M935 HydrophobicContact CG2-CG 4.46Å; T875-M935 VanDerWaalsContact OG1-CA 3.3Å; T875-M935 WeakPolarHBondContact OG1-CA 3.49Å; T875-Y936 WeakPolarHBondContact CG2-O 3.38Å; T875-Y936 PolarHBondContact OG1-N 3.12Å; T875-L938 HydrophobicContact CG2-CD1 4.21Å; T875-L938 HydrophobicContact CG2-CD2 4.28Å; T875-L938 HydrophobicContact CG2-CG 4.12Å
876	A	95.7	Very high	95	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-73.3	-35.8	178	0	0	0	0	0	113.5	T823 I827 T872 C873 V879 S880 L938	T823-A876 HydrophobicContact CG2-CB 3.9Å; I827-A876 HydrophobicContact CD1-CB 3Å; I827-A876 HydrophobicContact CG1-CB 4.5Å; T872-A876 WeakPolarHBondContact O-CB 3.31Å; T872-A876 PolarHBondContact O-N 2.99Å; C873-A876 PolarHBondContact O-N 3.39Å; A876-V879 PolarHBondContact O-N 2.89Å; A876-S880 WeakPolarHBondContact O-CB 3.37Å; A876-S880 PolarHBondContact O-N 3.36Å; A876-S880 PolarHBondContact O-OG 3.27Å; A876-L938 HydrophobicContact CB-CD1 4.13Å; A876-L938 HydrophobicContact CB-CD2 3.82Å
877	F	96	Very high	95.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.9	-45.3	172.4	-159	-64.2	0	0	0	109.8	P740 P744 P756 L757 G820 F821 C873 V879 S880 I881	P740-F877 HydrophobicContact CB-CE1 4.21Å; P740-F877 WeakPolarHBondContact O-CE1 3.3Å; P744-F877 HydrophobicContact CG-CE1 3.96Å; P744-F877 HydrophobicContact CG-CE2 4.05Å; P744-F877 HydrophobicContact CG-CZ 3.61Å; P756-F877 HydrophobicContact CB-CD2 3.76Å; P756-F877 HydrophobicContact CB-CE2 3.88Å; L757-F877 HydrophobicContact CB-CD1 4.19Å; L757-F877 HydrophobicContact CB-CG 4.28Å; L757-F877 HydrophobicContact CD1-CB 4.02Å; L757-F877 HydrophobicContact CD1-CD1 3.98Å; L757-F877 HydrophobicContact CD1-CG 4.27Å; L757-F877 HydrophobicContact CD2-CD1 4.19Å; L757-F877 HydrophobicContact CD2-CE1 4.42Å; L757-F877 HydrophobicContact CG-CD1 4.35Å; G820-F877 VanDerWaalsContact C-CD2 3.48Å; G820-F877 VanDerWaalsContact O-CD2 3.28Å; G820-F877 WeakPolarHBondContact O-CD2 3.43Å; G820-F877 WeakPolarHBondContact O-CE2 3.48Å; F821-F877 HydrophobicContact CD1-CE2 4.31Å; F821-F877 HydrophobicContact CD2-CE2 4.49Å; F821-F877 HydrophobicContact CG-CE2 4.28Å; C873-F877 WeakPolarHBondContact O-CB 3.46Å; C873-F877 PolarHBondContact O-N 2.9Å; F877-V879 PolarHBondContact O-N 2.95Å; F877-S880 WeakPolarHBondContact O-CA 3.44Å; F877-S880 VanDerWaalsContact O-CB 3.29Å; F877-S880 WeakPolarHBondContact O-CB 3.5Å; F877-S880 PolarHBondContact O-N 3.21Å; F877-S880 VanDerWaalsContact O-N 3.08Å; F877-I881 HydrophobicContact CD1-CD1 3.82Å; F877-I881 HydrophobicContact CD1-CG1 4.11Å; F877-I881 HydrophobicContact CE1-CD1 3.88Å; F877-I881 HydrophobicContact CE1-CG1 4.16Å; F877-I881 PolarHBondContact O-N 2.89Å
878	F	95.4	Very high	95.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-53.9	-50.7	171.4	163	-98.6	0	0	0	112.4	L757 C764 I765 T769 H874 T875 S880 I881 V882 A920 L923 M935	L757-F878 HydrophobicContact CD1-CB 4.33Å; C764-F878 HydrophobicContact CB-CE2 4.13Å; I765-F878 HydrophobicContact CD1-CD2 3.95Å; I765-F878 HydrophobicContact CG1-CD2 3.45Å; I765-F878 VanDerWaalsContact CG1-CD2 3.45Å; I765-F878 HydrophobicContact CG1-CE2 3.67Å; T769-F878 HydrophobicContact CG2-CE2 4Å; T769-F878 HydrophobicContact CG2-CZ 3.68Å; H874-F878 VanDerWaalsContact O-CB 3.29Å; H874-F878 WeakPolarHBondContact O-CB 3.36Å; H874-F878 PolarHBondContact O-N 3.25Å; T875-F878 WeakPolarHBondContact O-CB 3.44Å; F878-S880 PolarHBondContact O-N 3.34Å; F878-I881 WeakPolarHBondContact O-CB 3.42Å; F878-I881 PolarHBondContact O-N 3.38Å; F878-I881 VanDerWaalsContact O-N 3.15Å; F878-V882 HydrophobicContact CE1-CG2 4.47Å; F878-V882 HydrophobicContact CE2-CG2 4.32Å; F878-V882 HydrophobicContact CZ-CG2 4.14Å; F878-V882 PolarHBondContact O-N 3.34Å; F878-V882 VanDerWaalsContact O-N 3.13Å; F878-A920 HydrophobicContact CE1-CB 3.95Å; F878-A920 HydrophobicContact CZ-CB 4.27Å; F878-L923 HydrophobicContact CE1-CB 4.47Å; F878-L923 HydrophobicContact CE1-CD1 4.38Å; F878-L923 HydrophobicContact CZ-CD1 3.82Å; F878-M935 HydrophobicContact CD1-CE 4.11Å; F878-M935 HydrophobicContact CD2-CE 4.17Å; F878-M935 HydrophobicContact CE1-CE 4.25Å; F878-M935 HydrophobicContact CE2-CE 4.33Å; F878-M935 HydrophobicContact CG-CE 4.08Å; F878-M935 HydrophobicContact CZ-CE 4.37Å
879	V	95.4	Very high	95.4	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.1	-34.1	176.3	165.5	0	0	0	0	111.9	T875 A876 F877 I881 V882 I883 L938 W943	T875-V879 WeakPolarHBondContact O-CG2 3.3Å; T875-V879 PolarHBondContact O-N 3.43Å; A876-V879 PolarHBondContact O-N 2.89Å; F877-V879 PolarHBondContact O-N 2.95Å; V879-I881 VanDerWaalsContact C-N 3.34Å; V879-V882 PolarHBondContact O-N 2.94Å; V879-I883 HydrophobicContact CG1-CD1 3.96Å; V879-I883 WeakPolarHBondContact O-CG1 3.32Å; V879-I883 PolarHBondContact O-N 3.46Å; V879-L938 HydrophobicContact CB-CD1 4.05Å; V879-L938 HydrophobicContact CG1-CD1 4.47Å; V879-L938 HydrophobicContact CG2-CD1 3.68Å; V879-W943 HydrophobicContact CG1-CD2 3.43Å; V879-W943 VanDerWaalsContact CG1-CD2 3.43Å; V879-W943 HydrophobicContact CG1-CE3 3.45Å; V879-W943 VanDerWaalsContact CG1-CE3 3.45Å; V879-W943 HydrophobicContact CG1-CG 3.98Å; V879-W943 HydrophobicContact CG1-CH2 3.94Å; V879-W943 HydrophobicContact CG1-CZ2 3.93Å; V879-W943 HydrophobicContact CG1-CZ3 3.71Å; V879-W943 HydrophobicContact CG2-CH2 3.99Å; V879-W943 HydrophobicContact CG2-CZ2 3.73Å
880	S	96.4	Very high	95.4	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.014	4%	0.037	C	C	.	.	H	α-helix	trans	-64.4	-40.3	176.3	-58.7	0	0	0	0	111.7	T823 A876 F877 F878 I883 V884	T823-S880 WeakPolarHBondContact CB-OG 3.3Å; T823-S880 WeakPolarHBondContact CG2-OG 3.38Å; T823-S880 PolarHBondContact OG1-OG 3.05Å; A876-S880 WeakPolarHBondContact O-CB 3.37Å; A876-S880 PolarHBondContact O-N 3.36Å; A876-S880 PolarHBondContact O-OG 3.27Å; F877-S880 WeakPolarHBondContact O-CA 3.44Å; F877-S880 VanDerWaalsContact O-CB 3.29Å; F877-S880 WeakPolarHBondContact O-CB 3.5Å; F877-S880 PolarHBondContact O-N 3.21Å; F877-S880 VanDerWaalsContact O-N 3.08Å; F878-S880 PolarHBondContact O-N 3.34Å; S880-I883 PolarHBondContact O-N 2.79Å; S880-V884 WeakPolarHBondContact O-CG2 3.32Å; S880-V884 PolarHBondContact O-N 2.95Å; S880-V884 VanDerWaalsContact O-N 3.16Å
881	I	95.9	Very high	95.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.7	-49.3	174.2	-65.5	170.9	0	0	0	109.8	P740 E741 L757 I765 F877 F878 V879 I883 V884 Q885	P740-I881 HydrophobicContact CB-CD1 3.99Å; P740-I881 HydrophobicContact CB-CG1 3.94Å; P740-I881 HydrophobicContact CG-CD1 4.33Å; P740-I881 HydrophobicContact CG-CG1 4.23Å; E741-I881 HydrophobicContact CG-CD1 4.26Å; L757-I881 HydrophobicContact CD2-CD1 3.98Å; I765-I881 HydrophobicContact CD1-CB 4.25Å; I765-I881 HydrophobicContact CD1-CD1 3.47Å; I765-I881 VanDerWaalsContact CD1-CD1 3.47Å; I765-I881 HydrophobicContact CD1-CG1 4.45Å; I765-I881 HydrophobicContact CD1-CG2 4.13Å; I765-I881 HydrophobicContact CG2-CG2 4.31Å; F877-I881 HydrophobicContact CD1-CD1 3.82Å; F877-I881 HydrophobicContact CD1-CG1 4.11Å; F877-I881 HydrophobicContact CE1-CD1 3.88Å; F877-I881 HydrophobicContact CE1-CG1 4.16Å; F877-I881 PolarHBondContact O-N 2.89Å; F878-I881 WeakPolarHBondContact O-CB 3.42Å; F878-I881 PolarHBondContact O-N 3.38Å; F878-I881 VanDerWaalsContact O-N 3.15Å; V879-I881 VanDerWaalsContact C-N 3.34Å; I881-I883 VanDerWaalsContact C-N 3.29Å; I881-I883 PolarHBondContact O-N 3.17Å; I881-V884 WeakPolarHBondContact O-CG2 3.39Å; I881-V884 PolarHBondContact O-N 3Å; I881-V884 VanDerWaalsContact O-N 3.16Å; I881-Q885 HydrophobicContact CG2-CG 3.97Å; I881-Q885 WeakPolarHBondContact O-CB 3.3Å; I881-Q885 VanDerWaalsContact O-CG 3.28Å; I881-Q885 WeakPolarHBondContact O-CG 3.44Å; I881-Q885 PolarHBondContact O-N 3.49Å
882	V	95.8	Very high	95.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-54.5	-43.1	177	170	0	0	0	0	112.2	T769 F878 V879 V884 Q885 W886 E916 A920	T769-V882 HydrophobicContact CG2-CG2 4.09Å; F878-V882 HydrophobicContact CE1-CG2 4.47Å; F878-V882 HydrophobicContact CE2-CG2 4.32Å; F878-V882 HydrophobicContact CZ-CG2 4.14Å; F878-V882 PolarHBondContact O-N 3.34Å; F878-V882 VanDerWaalsContact O-N 3.13Å; V879-V882 PolarHBondContact O-N 2.94Å; V882-V884 PolarHBondContact O-N 2.84Å; V882-Q885 PolarHBondContact O-N 3.46Å; V882-W886 HydrophobicContact CG1-CZ2 4.44Å; V882-W886 PolarHBondContact O-N 3.44Å; V882-W886 VanDerWaalsContact O-N 3.16Å; V882-W886 PolarHBondContact O-NE1 2.9Å; V882-E916 HydrophobicContact CG1-CG 4.02Å; V882-A920 HydrophobicContact CG1-CB 4.09Å; V882-A920 HydrophobicContact CG2-CB 4.11Å
883	I	96	Very high	95.5	Very high	4 Å²	4	5.9 Å²	5.9	2%	0.021	3%	0.027	C	C	.	.	H	α-helix	trans	-68.6	-36.8	-178.8	-69.2	171.2	0	0	0	112.8	V879 S880 I881 W886 W943 A946 S950	V879-I883 HydrophobicContact CG1-CD1 3.96Å; V879-I883 WeakPolarHBondContact O-CG1 3.32Å; V879-I883 PolarHBondContact O-N 3.46Å; S880-I883 PolarHBondContact O-N 2.79Å; I881-I883 VanDerWaalsContact C-N 3.29Å; I881-I883 PolarHBondContact O-N 3.17Å; I883-W886 HydrophobicContact CG1-CH2 3.99Å; I883-W886 HydrophobicContact CG1-CZ2 4.21Å; I883-W886 HydrophobicContact CG1-CZ3 4.17Å; I883-W886 HydrophobicContact CG2-CE3 4.39Å; I883-W886 HydrophobicContact CG2-CZ3 4.42Å; I883-W943 HydrophobicContact CD1-CB 4.42Å; I883-W943 HydrophobicContact CD1-CE3 4.06Å; I883-W943 WeakPolarHBondContact CD1-O 3.16Å; I883-A946 HydrophobicContact CB-CB 4.16Å; I883-A946 HydrophobicContact CD1-CB 4.48Å; I883-A946 HydrophobicContact CG2-CB 4.06Å; I883-S950 WeakPolarHBondContact O-CB 3.46Å; I883-S950 PolarHBondContact O-OG 3.11Å
884	V	97	Very high	95.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-77.8	-27.6	175.5	-62.1	0	0	0	0	111.8	Q816 A819 S880 I881 V882 W886 A887 D888 A946 F949 I953	Q816-V884 HydrophobicContact CB-CB 4.5Å; Q816-V884 HydrophobicContact CB-CG2 3.72Å; Q816-V884 HydrophobicContact CG-CB 3.97Å; Q816-V884 HydrophobicContact CG-CG2 3.5Å; Q816-V884 VanDerWaalsContact CG-CG2 3.5Å; A819-V884 HydrophobicContact CB-CG1 3.67Å; S880-V884 WeakPolarHBondContact O-CG2 3.32Å; S880-V884 PolarHBondContact O-N 2.95Å; S880-V884 VanDerWaalsContact O-N 3.16Å; I881-V884 WeakPolarHBondContact O-CG2 3.39Å; I881-V884 PolarHBondContact O-N 3Å; I881-V884 VanDerWaalsContact O-N 3.16Å; V882-V884 PolarHBondContact O-N 2.84Å; V884-W886 VanDerWaalsContact C-N 3.27Å; V884-W886 PolarHBondContact O-N 2.93Å; V884-A887 PolarHBondContact O-N 3.29Å; V884-D888 PolarHBondContact O-N 3.3Å; V884-A946 HydrophobicContact CG1-CB 4.47Å; V884-F949 HydrophobicContact CG1-CB 4.21Å; V884-I953 HydrophobicContact CB-CD1 3.99Å; V884-I953 HydrophobicContact CG1-CD1 4.31Å
885	Q	95.9	Very high	95.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-65.5	-27.5	172	-75	-64.8	66.9	0	0	112.6	Y733 S737 D770 I881 V882 A887 D888 L889	Y733-Q885 HydrophobicContact CE2-CB 4.19Å; Y733-Q885 HydrophobicContact CE2-CG 4.47Å; S737-Q885 PolarHBondContact OG-NE2 3.33Å; D770-Q885 PolarHBondContact OD1-NE2 3.4Å; D770-Q885 PolarHBondContact OD2-NE2 2.96Å; I881-Q885 HydrophobicContact CG2-CG 3.97Å; I881-Q885 WeakPolarHBondContact O-CB 3.3Å; I881-Q885 VanDerWaalsContact O-CG 3.28Å; I881-Q885 WeakPolarHBondContact O-CG 3.44Å; I881-Q885 PolarHBondContact O-N 3.49Å; V882-Q885 PolarHBondContact O-N 3.46Å; Q885-A887 VanDerWaalsContact C-N 3.34Å; Q885-A887 PolarHBondContact O-N 2.96Å; Q885-D888 PolarHBondContact O-N 3.3Å; Q885-D888 VanDerWaalsContact OE1-CB 3.27Å; Q885-D888 PolarHBondContact OE1-OD2 2.81Å; Q885-L889 WeakPolarHBondContact O-CB 3.28Å; Q885-L889 PolarHBondContact O-N 3.35Å
886	W	95.2	Very high	95.2	Very high	59 Å²	59	9.3 Å²	9.3	22%	0.223	4%	0.039	C	C	.	.	H	α-helix	trans	-57.8	-46.5	169.5	-60.2	-12.8	0	0	0	112.3	V882 I883 V884 I890 I913 T917	V882-W886 HydrophobicContact CG1-CZ2 4.44Å; V882-W886 PolarHBondContact O-N 3.44Å; V882-W886 VanDerWaalsContact O-N 3.16Å; V882-W886 PolarHBondContact O-NE1 2.9Å; I883-W886 HydrophobicContact CG1-CH2 3.99Å; I883-W886 HydrophobicContact CG1-CZ2 4.21Å; I883-W886 HydrophobicContact CG1-CZ3 4.17Å; I883-W886 HydrophobicContact CG2-CE3 4.39Å; I883-W886 HydrophobicContact CG2-CZ3 4.42Å; V884-W886 VanDerWaalsContact C-N 3.27Å; V884-W886 PolarHBondContact O-N 2.93Å; W886-I890 WeakPolarHBondContact O-CD1 3.36Å; W886-I890 VanDerWaalsContact O-CG1 3.23Å; W886-I890 WeakPolarHBondContact O-CG1 3.46Å; W886-I890 PolarHBondContact O-N 3.28Å; W886-I913 HydrophobicContact CG-CG2 4.15Å; W886-T917 VanDerWaalsContact CE2-OG1 3.3Å; W886-T917 HydrophobicContact CH2-CG2 4.4Å; W886-T917 HydrophobicContact CZ2-CG2 3.77Å; W886-T917 WeakPolarHBondContact CZ2-OG1 3.45Å; W886-T917 PolarHBondContact NE1-OG1 3.42Å
887	A	95.7	Very high	95.1	Very high	4 Å²	4	10.8 Å²	10.8	3%	0.033	5%	0.047	C	C	.	.	H	α-helix	trans	-69.1	-40.7	176.1	0	0	0	0	0	110.8	V884 Q885 L889 I890 I891 S950 I953	V884-A887 PolarHBondContact O-N 3.29Å; Q885-A887 VanDerWaalsContact C-N 3.34Å; Q885-A887 PolarHBondContact O-N 2.96Å; A887-L889 PolarHBondContact O-N 3.06Å; A887-I890 PolarHBondContact O-N 2.7Å; A887-I891 WeakPolarHBondContact O-CG1 3.42Å; A887-I891 WeakPolarHBondContact O-CG2 3.34Å; A887-I891 PolarHBondContact O-N 2.65Å; A887-S950 WeakPolarHBondContact CB-O 3.41Å; A887-S950 VanDerWaalsContact CB-OG 3.23Å; A887-S950 WeakPolarHBondContact CB-OG 3.38Å; A887-I953 HydrophobicContact CB-CB 4.2Å; A887-I953 HydrophobicContact CB-CG2 3.98Å
888	D	96.4	Very high	95	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.8	-42.6	179.6	-166.1	49.3	0	0	0	112.7	Y733 V884 Q885 I890 I891 S892	Y733-D888 WeakPolarHBondContact CA-OD2 3.35Å; Y733-D888 HydrophobicContact CD2-CB 4.26Å; Y733-D888 VanDerWaalsContact CD2-OD2 3.26Å; Y733-D888 WeakPolarHBondContact CD2-OD2 3.48Å; Y733-D888 HydrophobicContact CE2-CB 4.42Å; V884-D888 PolarHBondContact O-N 3.3Å; Q885-D888 PolarHBondContact O-N 3.3Å; Q885-D888 VanDerWaalsContact OE1-CB 3.27Å; Q885-D888 PolarHBondContact OE1-OD2 2.81Å; D888-I890 VanDerWaalsContact C-N 3.34Å; D888-I890 PolarHBondContact O-N 3.48Å; D888-I891 WeakPolarHBondContact O-CG1 3.32Å; D888-I891 PolarHBondContact O-N 3.33Å; D888-S892 WeakPolarHBondContact O-CB 3.35Å; D888-S892 PolarHBondContact O-N 3.11Å; D888-S892 PolarHBondContact O-OG 3.25Å
889	L	95.6	Very high	94.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.3	-43.3	175.3	-175.7	64.3	0	0	0	111.8	Y733 P773 L777 Q885 A887 K893 L909 I913	Y733-L889 HydrophobicContact CD2-CB 4.13Å; Y733-L889 HydrophobicContact CD2-CD1 4.21Å; Y733-L889 HydrophobicContact CE2-CB 3.78Å; Y733-L889 HydrophobicContact CE2-CD1 4.18Å; P773-L889 HydrophobicContact CB-CD1 3.85Å; P773-L889 HydrophobicContact CB-CD2 3.86Å; P773-L889 HydrophobicContact CB-CG 4.4Å; L777-L889 HydrophobicContact CD1-CD1 3.92Å; L777-L889 HydrophobicContact CD2-CD1 4.04Å; L777-L889 HydrophobicContact CG-CD1 3.82Å; Q885-L889 WeakPolarHBondContact O-CB 3.28Å; Q885-L889 PolarHBondContact O-N 3.35Å; A887-L889 PolarHBondContact O-N 3.06Å; L889-K893 PolarHBondContact O-N 2.9Å; L889-K893 VanDerWaalsContact O-N 3.16Å; L889-L909 HydrophobicContact CD1-CD1 4.29Å; L889-L909 HydrophobicContact CD1-CG 4.26Å; L889-L909 HydrophobicContact CD2-CD2 3.89Å; L889-L909 HydrophobicContact CD2-CG 3.82Å; L889-L909 HydrophobicContact CG-CD1 4.16Å; L889-L909 HydrophobicContact CG-CD2 4.11Å; L889-L909 HydrophobicContact CG-CG 3.9Å; L889-I913 HydrophobicContact CD2-CD1 4.16Å; L889-I913 HydrophobicContact CD2-CG1 3.51Å
890	I	95	Very high	94.5	Very high	35 Å²	35	19.9 Å²	19.9	18%	0.179	10%	0.095	C	C	.	.	H	α-helix	trans	-67.3	-38.9	-179.9	-68	167.8	0	0	0	111.1	W886 A887 D888 K893 L899 M904 I913 F954	W886-I890 WeakPolarHBondContact O-CD1 3.36Å; W886-I890 VanDerWaalsContact O-CG1 3.23Å; W886-I890 WeakPolarHBondContact O-CG1 3.46Å; W886-I890 PolarHBondContact O-N 3.28Å; A887-I890 PolarHBondContact O-N 2.7Å; D888-I890 VanDerWaalsContact C-N 3.34Å; D888-I890 PolarHBondContact O-N 3.48Å; I890-K893 VanDerWaalsContact O-CB 3.27Å; I890-K893 WeakPolarHBondContact O-CB 3.4Å; I890-L899 HydrophobicContact CG2-CD1 4.18Å; I890-L899 HydrophobicContact CG2-CD2 3.55Å; I890-L899 HydrophobicContact CG2-CG 4.49Å; I890-M904 HydrophobicContact CG1-CE 4.23Å; I890-I913 HydrophobicContact CD1-CD1 4.36Å; I890-I913 HydrophobicContact CG1-CD1 4.24Å; I890-F954 HydrophobicContact CG2-CD2 4.02Å; I890-F954 HydrophobicContact CG2-CE2 3.83Å
891	I	94.5	Very high	94.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-75.3	-39.2	177.3	66.6	169.8	0	0	0	111.2	F807 I812 A887 D888 K893 T894 I953 F954 D957 R961	F807-I891 HydrophobicContact CZ-CD1 4.34Å; I812-I891 HydrophobicContact CD1-CD1 3.94Å; I812-I891 HydrophobicContact CG1-CD1 4.13Å; I812-I891 HydrophobicContact CG2-CD1 4.27Å; A887-I891 WeakPolarHBondContact O-CG1 3.42Å; A887-I891 WeakPolarHBondContact O-CG2 3.34Å; A887-I891 PolarHBondContact O-N 2.65Å; D888-I891 WeakPolarHBondContact O-CG1 3.32Å; D888-I891 PolarHBondContact O-N 3.33Å; I891-K893 PolarHBondContact O-N 3.43Å; I891-K893 VanDerWaalsContact O-N 3.14Å; I891-T894 PolarHBondContact O-N 3.14Å; I891-T894 VanDerWaalsContact O-O 3.09Å; I891-I953 HydrophobicContact CD1-CG2 3.6Å; I891-I953 HydrophobicContact CG1-CG2 4.48Å; I891-F954 HydrophobicContact CG2-CD2 4.28Å; I891-D957 HydrophobicContact CB-CB 3.81Å; I891-D957 HydrophobicContact CD1-CB 3.87Å; I891-D957 HydrophobicContact CG1-CB 4.43Å; I891-D957 HydrophobicContact CG2-CB 3.69Å; I891-R961 PolarHBondContact O-NH1 3.23Å
892	S	94.2	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-18.1	178.9	-72.1	0	0	0	0	112.9	K729 D888 T894	K729-S892 VanDerWaalsContact CB-O 3.29Å; K729-S892 WeakPolarHBondContact CB-O 3.39Å; K729-S892 WeakPolarHBondContact CD-O 3.26Å; K729-S892 WeakPolarHBondContact CG-O 3.47Å; D888-S892 WeakPolarHBondContact O-CB 3.35Å; D888-S892 PolarHBondContact O-N 3.11Å; D888-S892 PolarHBondContact O-OG 3.25Å; S892-T894 VanDerWaalsContact C-N 3.28Å; S892-T894 PolarHBondContact O-N 3.26Å
893	K	94.5	Very high	93.6	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.026	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-38.9	171.8	-172.8	172.3	165.4	56.8	0	113.9	K729 E780 L889 I890 I891 L899 G903 M904 L909	K729-K893 WeakPolarHBondContact CD-O 3.4Å; K729-K893 VanDerWaalsContact CE-O 3.3Å; K729-K893 WeakPolarHBondContact CE-O 3.5Å; K729-K893 PolarHBondContact NZ-O 3.33Å; E780-K893 VanDerWaalsContact CD-CG 3.46Å; E780-K893 HydrophobicContact CG-CG 4.3Å; E780-K893 IonicContact OE1-NZ 2.72Å; E780-K893 PolarHBondContact OE1-NZ 3.35Å; E780-K893 WeakPolarHBondContact OE2-CG 3.27Å; E780-K893 IonicContact OE2-NZ 3.26Å; E780-K893 PolarHBondContact OE2-NZ 3.39Å; L889-K893 PolarHBondContact O-N 2.9Å; L889-K893 VanDerWaalsContact O-N 3.16Å; I890-K893 VanDerWaalsContact O-CB 3.27Å; I890-K893 WeakPolarHBondContact O-CB 3.4Å; I891-K893 PolarHBondContact O-N 3.43Å; I891-K893 VanDerWaalsContact O-N 3.14Å; K893-L899 HydrophobicContact CD-CD1 3.97Å; K893-G903 WeakPolarHBondContact CE-O 3.28Å; K893-M904 HydrophobicContact CD-SD 3.98Å; K893-L909 HydrophobicContact CB-CD1 4.42Å; K893-L909 HydrophobicContact CD-CD1 4.17Å; K893-L909 HydrophobicContact CG-CD1 4.32Å
894	T	94.3	Very high	93.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.			trans	-133.9	132.6	-179	57.8	0	0	0	0	112.8	E783 I891 S892 N897 Q902 R961	E783-T894 HydrophobicContact CG-CG2 4.34Å; E783-T894 WeakPolarHBondContact OE1-CA 3.21Å; I891-T894 PolarHBondContact O-N 3.14Å; I891-T894 VanDerWaalsContact O-O 3.09Å; S892-T894 VanDerWaalsContact C-N 3.28Å; S892-T894 PolarHBondContact O-N 3.26Å; T894-N897 WeakPolarHBondContact CB-O 3.18Å; T894-N897 HydrophobicContact CG2-CB 4.29Å; T894-N897 PolarHBondContact OG1-O 3.23Å; T894-Q902 HydrophobicContact CG2-CB 3.64Å; T894-Q902 HydrophobicContact CG2-CG 3.65Å; T894-R961 WeakPolarHBondContact O-CD 3.37Å; T894-R961 PolarHBondContact O-NH1 3.3Å; T894-R961 PolarHBondContact OG1-NH1 3.42Å
895	R	93	Very high	93	Very high	16 Å²	16	36 Å²	36	6%	0.06	20%	0.198	C	C	.	.	S	Bend	trans	-85.5	-34	179.4	-73	164.9	58.3	-150	0.1	112.6	D725 K729 E783 Y978 Y979	D725-R895 IonicContact OD1-CZ 3.05Å; D725-R895 IonicContact OD1-NH1 3.97Å; D725-R895 PolarHBondContact OD1-NH1 3.39Å; K729-R895 HydrophobicContact CG-CG 4.24Å; E783-R895 VanDerWaalsContact CD-N 3.33Å; E783-R895 PolarHBondContact OE1-N 2.97Å; E783-R895 PolarHBondContact OE2-N 3.47Å; E783-R895 VanDerWaalsContact OE2-N 3.13Å; R895-Y978 HydrophobicContact CB-CE2 3.96Å; R895-Y979 HydrophobicContact CG-CD2 4.22Å; R895-Y979 HydrophobicContact CG-CE2 3.62Å; R895-Y979 PolarHBondContact NE-O 2.96Å; R895-Y979 PolarHBondContact NH2-O 3.08Å; R895-Y979 PolarHBondContact NH2-OXT 2.85Å
896	R	91.8	Very high	92.8	Very high	68 Å²	68	36.8 Å²	36.8	26%	0.257	20%	0.202	S	C	.	.	S	Bend	trans	-126.9	-43	-176.8	-172.1	178.4	-177.7	97.1	4	113	E783 R965 E974 Y978	E783-R896 PolarHBondContact OE2-N 3.34Å; R896-R965 HydrophobicContact CG-CG 4.31Å; R896-R965 PolarHBondContact O-NH1 3.43Å; R896-E974 IonicContact NH1-OE1 2.83Å; R896-E974 PolarHBondContact NH1-OE1 3.15Å; R896-Y978 HydrophobicContact CB-CE2 3.95Å
897	N	92.9	Very high	92.6	Very high	32 Å²	32	43.1 Å²	43.1	17%	0.171	23%	0.226	C	C	.	.	S	Bend	trans	-69.3	151.8	-176.4	-76	-3	0	0	0	111.9	E783 T894 Q902 R961 R965	E783-N897 HydrophobicContact CG-CB 4.43Å; E783-N897 PolarHBondContact O-ND2 2.79Å; E783-N897 PolarHBondContact OE2-N 2.91Å; T894-N897 WeakPolarHBondContact CB-O 3.18Å; T894-N897 HydrophobicContact CG2-CB 4.29Å; T894-N897 PolarHBondContact OG1-O 3.23Å; N897-Q902 PolarHBondContact ND2-OE1 2.89Å; N897-R961 WeakPolarHBondContact O-CD 3.37Å; N897-R961 PolarHBondContact O-NE 3.01Å; N897-R965 VanDerWaalsContact C-NH1 3.34Å
898	S	93.3	Very high	92.5	Very high	8 Å²	8	44.4 Å²	44.4	6%	0.056	23%	0.234	C	C	.	.			trans	-69	148.7	169.7	-174.9	0	0	0	0	109.5	I900 Q901 Q902 E958	S898-I900 PolarHBondContact O-N 3.44Å; S898-I900 PolarHBondContact OG-N 3.44Å; S898-Q901 PolarHBondContact O-N 2.81Å; S898-Q902 PolarHBondContact O-N 3.28Å; S898-E958 WeakPolarHBondContact CA-OE1 3.5Å; S898-E958 WeakPolarHBondContact CB-OE1 3.17Å; S898-E958 PolarHBondContact OG-OE1 3.09Å
899	L	90.7	Very high	92.4	Very high	27 Å²	27	44.4 Å²	44.4	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-57.3	-32.9	169.3	-172.1	68.5	0	0	0	111.9	I890 K893 Q901 G903 M904 F954 E958	I890-L899 HydrophobicContact CG2-CD1 4.18Å; I890-L899 HydrophobicContact CG2-CD2 3.55Å; I890-L899 HydrophobicContact CG2-CG 4.49Å; K893-L899 HydrophobicContact CD-CD1 3.97Å; L899-Q901 VanDerWaalsContact C-N 3.3Å; L899-Q901 PolarHBondContact O-N 3.04Å; L899-G903 WeakPolarHBondContact O-CA 3.04Å; L899-G903 PolarHBondContact O-N 3.28Å; L899-M904 HydrophobicContact CD1-CG 4.14Å; L899-M904 HydrophobicContact CD1-SD 3.82Å; L899-M904 HydrophobicContact CD2-CG 4.44Å; L899-M904 HydrophobicContact CG-CG 4.46Å; L899-F954 HydrophobicContact CD2-CE2 3.77Å; L899-F954 HydrophobicContact CD2-CZ 4.15Å; L899-E958 PolarHBondContact N-OE2 2.83Å
900	I	90.4	Very high	92.4	Very high	156 Å²	156	47 Å²	47	80%	0.8	25%	0.248	S	C	*	.	H	α-helix	trans	-67.4	-33.7	178.2	-57.7	173.3	0	0	0	111.2	S898	S898-I900 PolarHBondContact O-N 3.44Å; S898-I900 PolarHBondContact OG-N 3.44Å
901	Q	89.8	Confident	92.3	Very high	127 Å²	127	49.2 Å²	49.2	59%	0.593	26%	0.256	S	S	*	.	H	α-helix	trans	-77.7	-40.2	179.8	-70.9	173.7	-32.4	0	0	111.8	S898 L899	S898-Q901 PolarHBondContact O-N 2.81Å; L899-Q901 VanDerWaalsContact C-N 3.3Å; L899-Q901 PolarHBondContact O-N 3.04Å
902	Q	89.5	Confident	92.3	Very high	44 Å²	44	49.1 Å²	49.1	21%	0.206	26%	0.256	C	S	.	.	H	α-helix	trans	-81.9	-31.6	-179	-160.6	73.1	17.1	0	0	112.7	S782 T894 N897 S898	S782-Q902 PolarHBondContact O-NE2 3.45Å; S782-Q902 VanDerWaalsContact O-NE2 3.16Å; T894-Q902 HydrophobicContact CG2-CB 3.64Å; T894-Q902 HydrophobicContact CG2-CG 3.65Å; N897-Q902 PolarHBondContact ND2-OE1 2.89Å; S898-Q902 PolarHBondContact O-N 3.28Å
903	G	91	Very high	92.3	Very high	29 Å²	29	50.6 Å²	50.6	30%	0.299	26%	0.263	S	S	.	.			trans	72.5	172.5	-174.2	0	0	0	0	0	114.1	K893 L899	K893-G903 WeakPolarHBondContact CE-O 3.28Å; L899-G903 WeakPolarHBondContact O-CA 3.04Å; L899-G903 PolarHBondContact O-N 3.28Å
904	M	90.6	Very high	92.3	Very high	69 Å²	69	54.3 Å²	54.3	34%	0.34	29%	0.287	S	S	.	.	S	Bend	trans	-104.5	41.4	179.8	-76	-72.9	-79	0	0	112.3	I890 K893 L899 N906 L909 N910	I890-M904 HydrophobicContact CG1-CE 4.23Å; K893-M904 HydrophobicContact CD-SD 3.98Å; L899-M904 HydrophobicContact CD1-CG 4.14Å; L899-M904 HydrophobicContact CD1-SD 3.82Å; L899-M904 HydrophobicContact CD2-CG 4.44Å; L899-M904 HydrophobicContact CG-CG 4.46Å; M904-N906 VanDerWaalsContact C-N 3.31Å; M904-N906 PolarHBondContact O-N 2.8Å; M904-L909 HydrophobicContact CE-CD2 4.14Å; M904-N910 WeakPolarHBondContact CE-OD1 3.45Å; M904-N910 PolarHBondContact O-ND2 3.24Å
905	G	88.9	Confident	92.3	Very high	75 Å²	75	57.8 Å²	57.8	77%	0.773	30%	0.302	S	S	*	.			trans	-73	-14.6	-176	0	0	0	0	0	115.6	W907	G905-W907 PolarHBondContact O-N 3.06Å
906	N	91.8	Very high	92.3	Very high	16 Å²	16	57 Å²	57	9%	0.086	30%	0.299	C	S	.	.			trans	-75.1	95.1	179.9	-176.6	-6.2	0	0	0	110.7	S776 E780 M904 T908 L909 N910	S776-N906 PolarHBondContact O-ND2 2.96Å; E780-N906 WeakPolarHBondContact OE1-CB 3.46Å; E780-N906 PolarHBondContact OE1-ND2 3.29Å; M904-N906 VanDerWaalsContact C-N 3.31Å; M904-N906 PolarHBondContact O-N 2.8Å; N906-T908 VanDerWaalsContact C-N 3.27Å; N906-T908 PolarHBondContact O-N 3.48Å; N906-T908 PolarHBondContact OD1-N 3.42Å; N906-T908 VanDerWaalsContact OD1-N 3.09Å; N906-T908 PolarHBondContact OD1-OG1 3.48Å; N906-L909 HydrophobicContact CB-CB 4Å; N906-L909 PolarHBondContact O-N 2.89Å; N906-L909 PolarHBondContact OD1-N 3.24Å; N906-N910 PolarHBondContact O-N 3.02Å; N906-N910 VanDerWaalsContact O-N 3.16Å; N906-N910 PolarHBondContact O-ND2 3.28Å
907	W	91.9	Very high	92.4	Very high	192 Å²	192	55 Å²	55	73%	0.727	29%	0.294	S	S	*	.	H	α-helix	trans	-64.6	-29.9	-179.6	-171.5	80.3	0	0	0	113.1	G905 L909 N910 F911	G905-W907 PolarHBondContact O-N 3.06Å; W907-L909 VanDerWaalsContact C-N 3.32Å; W907-L909 PolarHBondContact O-N 2.93Å; W907-N910 PolarHBondContact O-N 2.82Å; W907-F911 HydrophobicContact CH2-CD2 4.49Å; W907-F911 WeakPolarHBondContact O-CB 3.39Å; W907-F911 PolarHBondContact O-N 2.91Å
908	T	93.5	Very high	92.5	Very high	32 Å²	32	57.7 Å²	57.7	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-34.4	177.4	65.9	0	0	0	0	112.2	Y779 N906 G912	Y779-T908 WeakPolarHBondContact CB-OG1 3.29Å; Y779-T908 HydrophobicContact CD1-CG2 4.37Å; Y779-T908 HydrophobicContact CD2-CG2 4.07Å; Y779-T908 WeakPolarHBondContact CD2-OG1 2.86Å; Y779-T908 HydrophobicContact CE1-CG2 4.45Å; Y779-T908 HydrophobicContact CE2-CG2 4.15Å; Y779-T908 HydrophobicContact CG-CG2 4.17Å; N906-T908 VanDerWaalsContact C-N 3.27Å; N906-T908 PolarHBondContact O-N 3.48Å; N906-T908 PolarHBondContact OD1-N 3.42Å; N906-T908 VanDerWaalsContact OD1-N 3.09Å; N906-T908 PolarHBondContact OD1-OG1 3.48Å; T908-G912 PolarHBondContact O-N 2.88Å
909	L	94.4	Very high	92.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.6	-46.9	174.3	-176.4	159.3	0	0	0	111	S776 L777 L889 K893 M904 N906 W907 F911 G912 I913	S776-L909 WeakPolarHBondContact OG-CA 3.48Å; L777-L909 HydrophobicContact CD2-CD1 4.04Å; L889-L909 HydrophobicContact CD1-CD1 4.29Å; L889-L909 HydrophobicContact CD1-CG 4.26Å; L889-L909 HydrophobicContact CD2-CD2 3.89Å; L889-L909 HydrophobicContact CD2-CG 3.82Å; L889-L909 HydrophobicContact CG-CD1 4.16Å; L889-L909 HydrophobicContact CG-CD2 4.11Å; L889-L909 HydrophobicContact CG-CG 3.9Å; K893-L909 HydrophobicContact CB-CD1 4.42Å; K893-L909 HydrophobicContact CD-CD1 4.17Å; K893-L909 HydrophobicContact CG-CD1 4.32Å; M904-L909 HydrophobicContact CE-CD2 4.14Å; N906-L909 HydrophobicContact CB-CB 4Å; N906-L909 PolarHBondContact O-N 2.89Å; N906-L909 PolarHBondContact OD1-N 3.24Å; W907-L909 VanDerWaalsContact C-N 3.32Å; W907-L909 PolarHBondContact O-N 2.93Å; L909-F911 VanDerWaalsContact C-N 3.28Å; L909-F911 PolarHBondContact O-N 3.5Å; L909-G912 WeakPolarHBondContact O-CA 3.05Å; L909-G912 PolarHBondContact O-N 3.06Å; L909-I913 HydrophobicContact CD2-CD1 3.99Å; L909-I913 HydrophobicContact CD2-CG1 4.47Å; L909-I913 PolarHBondContact O-N 3.43Å; L909-I913 VanDerWaalsContact O-N 3.07Å
910	N	94	Very high	92.7	Very high	54 Å²	54	57.8 Å²	57.8	29%	0.289	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-40.9	176.5	-65	-25.9	0	0	0	111.7	M904 N906 W907 G912 V914	M904-N910 WeakPolarHBondContact CE-OD1 3.45Å; M904-N910 PolarHBondContact O-ND2 3.24Å; N906-N910 PolarHBondContact O-N 3.02Å; N906-N910 VanDerWaalsContact O-N 3.16Å; N906-N910 PolarHBondContact O-ND2 3.28Å; W907-N910 PolarHBondContact O-N 2.82Å; N910-G912 VanDerWaalsContact C-N 3.31Å; N910-V914 PolarHBondContact O-N 3.16Å
911	F	94.3	Very high	92.9	Very high	81 Å²	81	54.5 Å²	54.5	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-36.3	172.5	179.6	-99.8	0	0	0	111.8	W772 W907 L909 V914 F915	W772-F911 AromaticContact CE2-CD1 3.81Å; W772-F911 AromaticContact CE2-CE1 3.89Å; W772-F911 HydrophobicContact CH2-CE1 4.49Å; W772-F911 AromaticContact CZ2-CD1 3.85Å; W772-F911 HydrophobicContact CZ2-CD1 3.85Å; W772-F911 AromaticContact CZ2-CE1 3.76Å; W772-F911 HydrophobicContact CZ2-CE1 3.76Å; W772-F911 AromaticContact NE1-CD1 3.55Å; W907-F911 HydrophobicContact CH2-CD2 4.49Å; W907-F911 WeakPolarHBondContact O-CB 3.39Å; W907-F911 PolarHBondContact O-N 2.91Å; L909-F911 VanDerWaalsContact C-N 3.28Å; L909-F911 PolarHBondContact O-N 3.5Å; F911-V914 PolarHBondContact O-N 3.21Å; F911-F915 HydrophobicContact CE1-CB 4.21Å; F911-F915 WeakPolarHBondContact O-CB 3.31Å; F911-F915 PolarHBondContact O-N 3.19Å
912	G	93.1	Very high	93.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.1	-47.9	174.8	0	0	0	0	0	113.2	W772 T908 L909 N910 V914 F915 E916	W772-G912 VanDerWaalsContact CD1-CA 3.42Å; T908-G912 PolarHBondContact O-N 2.88Å; L909-G912 WeakPolarHBondContact O-CA 3.05Å; L909-G912 PolarHBondContact O-N 3.06Å; N910-G912 VanDerWaalsContact C-N 3.31Å; G912-V914 VanDerWaalsContact C-N 3.3Å; G912-V914 PolarHBondContact O-N 2.85Å; G912-F915 PolarHBondContact O-N 3.44Å; G912-E916 VanDerWaalsContact O-CB 3.24Å; G912-E916 WeakPolarHBondContact O-CB 3.38Å; G912-E916 PolarHBondContact O-N 3.03Å
913	I	93.8	Very high	93.2	Very high	30 Å²	30	52.7 Å²	52.7	15%	0.154	28%	0.282	C	S	.	.	H	α-helix	trans	-57.8	-44.4	176.1	-61.2	173.7	0	0	0	111.1	W886 L889 I890 L909 T917	W886-I913 HydrophobicContact CG-CG2 4.15Å; L889-I913 HydrophobicContact CD2-CD1 4.16Å; L889-I913 HydrophobicContact CD2-CG1 3.51Å; I890-I913 HydrophobicContact CD1-CD1 4.36Å; I890-I913 HydrophobicContact CG1-CD1 4.24Å; L909-I913 HydrophobicContact CD2-CD1 3.99Å; L909-I913 HydrophobicContact CD2-CG1 4.47Å; L909-I913 PolarHBondContact O-N 3.43Å; L909-I913 VanDerWaalsContact O-N 3.07Å; I913-T917 WeakPolarHBondContact O-CB 3.45Å; I913-T917 PolarHBondContact O-N 3.47Å; I913-T917 PolarHBondContact O-OG1 3.29Å
914	V	95	Very high	93.3	Very high	85 Å²	85	51.5 Å²	51.5	52%	0.515	27%	0.269	S	S	.	.	H	α-helix	trans	-66.5	-45.5	178.9	176	0	0	0	0	110.9	N910 F911 G912 T917 V918	N910-V914 PolarHBondContact O-N 3.16Å; F911-V914 PolarHBondContact O-N 3.21Å; G912-V914 VanDerWaalsContact C-N 3.3Å; G912-V914 PolarHBondContact O-N 2.85Å; V914-T917 PolarHBondContact O-N 3.09Å; V914-V918 HydrophobicContact CG1-CG2 4.3Å; V914-V918 WeakPolarHBondContact O-CB 3.46Å; V914-V918 VanDerWaalsContact O-CG2 3.24Å; V914-V918 WeakPolarHBondContact O-CG2 3.32Å; V914-V918 PolarHBondContact O-N 3.24Å
915	F	93.7	Very high	93.4	Very high	73 Å²	73	52.3 Å²	52.3	32%	0.32	27%	0.269	S	S	.	.	H	α-helix	trans	-61.2	-47.5	178.9	173.9	-96.4	0	0	0	111.5	W772 F911 G912 T917 V918 L919	W772-F915 HydrophobicContact CB-CD1 3.82Å; W772-F915 HydrophobicContact CB-CE1 4.06Å; W772-F915 HydrophobicContact CG-CD1 4.14Å; F911-F915 HydrophobicContact CE1-CB 4.21Å; F911-F915 WeakPolarHBondContact O-CB 3.31Å; F911-F915 PolarHBondContact O-N 3.19Å; G912-F915 PolarHBondContact O-N 3.44Å; F915-T917 VanDerWaalsContact C-N 3.33Å; F915-T917 PolarHBondContact O-N 3.24Å; F915-V918 PolarHBondContact O-N 3.32Å; F915-L919 HydrophobicContact CE1-CD2 4.12Å; F915-L919 HydrophobicContact CZ-CD2 4.33Å; F915-L919 VanDerWaalsContact O-CB 3.32Å; F915-L919 WeakPolarHBondContact O-CB 3.48Å; F915-L919 PolarHBondContact O-N 2.87Å
916	E	94.8	Very high	93.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56	-48.6	176.8	-169.1	-165.1	167.7	0	0	111	T769 P773 V882 G912 L919 A920	T769-E916 HydrophobicContact CG2-CG 4.31Å; P773-E916 HydrophobicContact CG-CB 4.2Å; P773-E916 HydrophobicContact CG-CG 4.3Å; V882-E916 HydrophobicContact CG1-CG 4.02Å; G912-E916 VanDerWaalsContact O-CB 3.24Å; G912-E916 WeakPolarHBondContact O-CB 3.38Å; G912-E916 PolarHBondContact O-N 3.03Å; E916-L919 PolarHBondContact O-N 3.24Å; E916-A920 WeakPolarHBondContact O-CB 3.19Å; E916-A920 PolarHBondContact O-N 3.45Å
917	T	93.8	Very high	93.5	Very high	24 Å²	24	55.7 Å²	55.7	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-48.7	177.8	-55.5	0	0	0	0	111.5	W886 I913 V914 F915 L919 A920 F921	W886-T917 VanDerWaalsContact CE2-OG1 3.3Å; W886-T917 HydrophobicContact CH2-CG2 4.4Å; W886-T917 HydrophobicContact CZ2-CG2 3.77Å; W886-T917 WeakPolarHBondContact CZ2-OG1 3.45Å; W886-T917 PolarHBondContact NE1-OG1 3.42Å; I913-T917 WeakPolarHBondContact O-CB 3.45Å; I913-T917 PolarHBondContact O-N 3.47Å; I913-T917 PolarHBondContact O-OG1 3.29Å; V914-T917 PolarHBondContact O-N 3.09Å; F915-T917 VanDerWaalsContact C-N 3.33Å; F915-T917 PolarHBondContact O-N 3.24Å; T917-L919 VanDerWaalsContact C-N 3.31Å; T917-L919 PolarHBondContact O-N 2.99Å; T917-A920 PolarHBondContact O-N 3.19Å; T917-F921 HydrophobicContact CG2-CD2 3.72Å; T917-F921 HydrophobicContact CG2-CE2 3.6Å; T917-F921 WeakPolarHBondContact O-CD2 3.48Å; T917-F921 PolarHBondContact O-N 2.89Å
918	V	95.3	Very high	93.3	Very high	89 Å²	89	48.5 Å²	48.5	54%	0.539	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-39.6	179.3	169.5	0	0	0	0	111.1	V914 F915 F921 F922	V914-V918 HydrophobicContact CG1-CG2 4.3Å; V914-V918 WeakPolarHBondContact O-CB 3.46Å; V914-V918 VanDerWaalsContact O-CG2 3.24Å; V914-V918 WeakPolarHBondContact O-CG2 3.32Å; V914-V918 PolarHBondContact O-N 3.24Å; F915-V918 PolarHBondContact O-N 3.32Å; V918-F921 PolarHBondContact O-N 2.94Å; V918-F922 WeakPolarHBondContact O-CB 3.45Å; V918-F922 PolarHBondContact O-N 3.31Å
919	L	94.5	Very high	93	Very high	38 Å²	38	48.5 Å²	48.5	20%	0.199	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-43.6	175.8	-177.3	60.3	0	0	0	110.8	T769 F915 E916 T917 F921 F922 L923	T769-L919 HydrophobicContact CG2-CD2 4.02Å; T769-L919 HydrophobicContact CG2-CG 4.28Å; F915-L919 HydrophobicContact CE1-CD2 4.12Å; F915-L919 HydrophobicContact CZ-CD2 4.33Å; F915-L919 VanDerWaalsContact O-CB 3.32Å; F915-L919 WeakPolarHBondContact O-CB 3.48Å; F915-L919 PolarHBondContact O-N 2.87Å; E916-L919 PolarHBondContact O-N 3.24Å; T917-L919 VanDerWaalsContact C-N 3.31Å; T917-L919 PolarHBondContact O-N 2.99Å; L919-F921 VanDerWaalsContact C-N 3.35Å; L919-F921 PolarHBondContact O-N 3.28Å; L919-F922 PolarHBondContact O-N 3.4Å; L919-L923 HydrophobicContact CD1-CD1 4.31Å; L919-L923 HydrophobicContact CD1-CG 4.17Å; L919-L923 HydrophobicContact CG-CD1 4.06Å; L919-L923 HydrophobicContact CG-CG 4.34Å; L919-L923 WeakPolarHBondContact O-CB 3.46Å; L919-L923 VanDerWaalsContact O-CG 3.25Å; L919-L923 WeakPolarHBondContact O-CG 3.18Å; L919-L923 PolarHBondContact O-N 2.84Å
920	A	93.5	Very high	92.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-41.3	175	0	0	0	0	0	112.2	F878 V882 E916 T917 L923 A924 W943	F878-A920 HydrophobicContact CE1-CB 3.95Å; F878-A920 HydrophobicContact CZ-CB 4.27Å; V882-A920 HydrophobicContact CG1-CB 4.09Å; V882-A920 HydrophobicContact CG2-CB 4.11Å; E916-A920 WeakPolarHBondContact O-CB 3.19Å; E916-A920 PolarHBondContact O-N 3.45Å; T917-A920 PolarHBondContact O-N 3.19Å; A920-L923 PolarHBondContact O-N 3.29Å; A920-A924 VanDerWaalsContact O-CB 3.31Å; A920-A924 WeakPolarHBondContact O-CB 3.29Å; A920-A924 PolarHBondContact O-N 3.39Å; A920-W943 HydrophobicContact CB-CH2 4.05Å
921	F	93.6	Very high	92	Very high	86 Å²	86	56.8 Å²	56.8	38%	0.377	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-46.1	171.7	-87.6	-75.7	0	0	0	111.7	T917 V918 L919 L923 A924 Y925 W943	T917-F921 HydrophobicContact CG2-CD2 3.72Å; T917-F921 HydrophobicContact CG2-CE2 3.6Å; T917-F921 WeakPolarHBondContact O-CD2 3.48Å; T917-F921 PolarHBondContact O-N 2.89Å; V918-F921 PolarHBondContact O-N 2.94Å; L919-F921 VanDerWaalsContact C-N 3.35Å; L919-F921 PolarHBondContact O-N 3.28Å; F921-L923 VanDerWaalsContact C-N 3.34Å; F921-L923 PolarHBondContact O-N 3.46Å; F921-A924 PolarHBondContact O-N 3.15Å; F921-Y925 HydrophobicContact CB-CD2 4.49Å; F921-Y925 AromaticContact CD1-CD2 3.71Å; F921-Y925 HydrophobicContact CD1-CD2 3.71Å; F921-Y925 AromaticContact CD1-CE2 3.47Å; F921-Y925 HydrophobicContact CD1-CE2 3.47Å; F921-Y925 VanDerWaalsContact CD1-CE2 3.47Å; F921-Y925 HydrophobicContact CE1-CD2 4.49Å; F921-Y925 AromaticContact CE1-CE2 3.83Å; F921-Y925 HydrophobicContact CE1-CE2 3.83Å; F921-Y925 WeakPolarHBondContact O-CB 3.15Å; F921-Y925 VanDerWaalsContact O-CD2 3.25Å; F921-Y925 WeakPolarHBondContact O-CD2 3.11Å; F921-Y925 PolarHBondContact O-N 3.09Å; F921-W943 HydrophobicContact CD1-CH2 4.2Å; F921-W943 AromaticContact CD1-CZ2 3.93Å; F921-W943 HydrophobicContact CD1-CZ2 3.93Å; F921-W943 AromaticContact CD2-CH2 3.77Å; F921-W943 HydrophobicContact CD2-CH2 3.77Å; F921-W943 HydrophobicContact CD2-CZ2 4.33Å; F921-W943 HydrophobicContact CD2-CZ3 4.24Å; F921-W943 HydrophobicContact CE1-CH2 4.14Å; F921-W943 AromaticContact CE1-CZ2 3.83Å; F921-W943 HydrophobicContact CE1-CZ2 3.83Å; F921-W943 HydrophobicContact CE2-CE3 4.35Å; F921-W943 AromaticContact CE2-CH2 3.69Å; F921-W943 HydrophobicContact CE2-CH2 3.69Å; F921-W943 HydrophobicContact CE2-CZ2 4.24Å; F921-W943 AromaticContact CE2-CZ3 3.76Å; F921-W943 HydrophobicContact CE2-CZ3 3.76Å; F921-W943 AromaticContact CG-CH2 4Å; F921-W943 HydrophobicContact CG-CH2 4Å; F921-W943 HydrophobicContact CG-CZ2 4.16Å; F921-W943 HydrophobicContact CZ-CD2 4.28Å; F921-W943 HydrophobicContact CZ-CE3 4.16Å; F921-W943 AromaticContact CZ-CH2 3.87Å; F921-W943 HydrophobicContact CZ-CH2 3.87Å; F921-W943 AromaticContact CZ-CZ2 3.98Å; F921-W943 HydrophobicContact CZ-CZ2 3.98Å; F921-W943 AromaticContact CZ-CZ3 3.97Å; F921-W943 HydrophobicContact CZ-CZ3 3.97Å
922	F	93.9	Very high	91.3	Very high	116 Å²	116	55.8 Å²	55.8	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-46.1	177.7	177.9	-99.5	0	0	0	111.2	V918 L919 A924 C926 L929	V918-F922 WeakPolarHBondContact O-CB 3.45Å; V918-F922 PolarHBondContact O-N 3.31Å; L919-F922 PolarHBondContact O-N 3.4Å; F922-A924 PolarHBondContact O-N 3.45Å; F922-C926 HydrophobicContact CD2-CB 4.04Å; F922-C926 HydrophobicContact CE1-CB 4.47Å; F922-C926 HydrophobicContact CE2-CB 3.86Å; F922-C926 HydrophobicContact CG-CB 4.42Å; F922-C926 HydrophobicContact CZ-CB 4.09Å; F922-C926 WeakPolarHBondContact O-CB 3.32Å; F922-C926 PolarHBondContact O-N 3.15Å; F922-L929 HydrophobicContact CD1-CD1 4.43Å; F922-L929 HydrophobicContact CE1-CD1 4.25Å
923	L	92.9	Very high	90.8	Very high	17 Å²	17	58.1 Å²	58.1	9%	0.089	32%	0.323	C	S	.	.	H	α-helix	trans	-65	-38.3	-179.6	-73.6	179.9	0	0	0	113	C764 F878 L919 A920 F921 L929 L933 M935	C764-L923 HydrophobicContact CB-CD1 4.24Å; F878-L923 HydrophobicContact CE1-CB 4.47Å; F878-L923 HydrophobicContact CE1-CD1 4.38Å; F878-L923 HydrophobicContact CZ-CD1 3.82Å; L919-L923 HydrophobicContact CD1-CD1 4.31Å; L919-L923 HydrophobicContact CD1-CG 4.17Å; L919-L923 HydrophobicContact CG-CD1 4.06Å; L919-L923 HydrophobicContact CG-CG 4.34Å; L919-L923 WeakPolarHBondContact O-CB 3.46Å; L919-L923 VanDerWaalsContact O-CG 3.25Å; L919-L923 WeakPolarHBondContact O-CG 3.18Å; L919-L923 PolarHBondContact O-N 2.84Å; A920-L923 PolarHBondContact O-N 3.29Å; F921-L923 VanDerWaalsContact C-N 3.34Å; F921-L923 PolarHBondContact O-N 3.46Å; L923-L929 HydrophobicContact CD2-CD1 3.96Å; L923-L933 HydrophobicContact CD2-CD1 3.71Å; L923-M935 HydrophobicContact CB-SD 3.68Å; L923-M935 HydrophobicContact CD1-SD 4.46Å; L923-M935 HydrophobicContact CD2-SD 4.46Å; L923-M935 HydrophobicContact CG-SD 4.42Å; L923-M935 WeakPolarHBondContact O-CB 3.44Å
924	A	91.8	Very high	90.5	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.033	33%	0.33	C	S	.	.	H	α-helix	trans	-78.5	-31.1	-179.9	0	0	0	0	0	114	T875 A920 F921 F922 S937	T875-A924 HydrophobicContact CG2-CB 3.9Å; A920-A924 VanDerWaalsContact O-CB 3.31Å; A920-A924 WeakPolarHBondContact O-CB 3.29Å; A920-A924 PolarHBondContact O-N 3.39Å; F921-A924 PolarHBondContact O-N 3.15Å; F922-A924 PolarHBondContact O-N 3.45Å; A924-S937 VanDerWaalsContact O-CA 3.32Å; A924-S937 WeakPolarHBondContact O-CA 3.38Å; A924-S937 PolarHBondContact O-N 3.04Å
925	Y	93.4	Very high	90.2	Very high	86 Å²	86	56.5 Å²	56.5	34%	0.337	31%	0.306	S	S	.	.	H	α-helix	trans	-117.5	-9.6	-169.1	-61.5	-75.3	0	0	0	115.2	F921 P927 L938 W943	F921-Y925 HydrophobicContact CB-CD2 4.49Å; F921-Y925 AromaticContact CD1-CD2 3.71Å; F921-Y925 HydrophobicContact CD1-CD2 3.71Å; F921-Y925 AromaticContact CD1-CE2 3.47Å; F921-Y925 HydrophobicContact CD1-CE2 3.47Å; F921-Y925 VanDerWaalsContact CD1-CE2 3.47Å; F921-Y925 HydrophobicContact CE1-CD2 4.49Å; F921-Y925 AromaticContact CE1-CE2 3.83Å; F921-Y925 HydrophobicContact CE1-CE2 3.83Å; F921-Y925 WeakPolarHBondContact O-CB 3.15Å; F921-Y925 VanDerWaalsContact O-CD2 3.25Å; F921-Y925 WeakPolarHBondContact O-CD2 3.11Å; F921-Y925 PolarHBondContact O-N 3.09Å; Y925-P927 WeakPolarHBondContact O-CD 3.49Å; Y925-L938 WeakPolarHBondContact CE1-O 3.46Å; Y925-L938 PolarHBondContact OH-O 3.47Å; Y925-W943 HydrophobicContact CE2-CZ2 4.05Å; Y925-W943 AromaticContact CE2-NE1 3.97Å; Y925-W943 AromaticContact CZ-NE1 3.91Å; Y925-W943 PolarHBondContact OH-NE1 3.35Å
926	C	93.1	Very high	90.1	Very high	40 Å²	40	55.8 Å²	55.8	27%	0.27	30%	0.302	S	S	.	.	S	Bend	trans	-69.6	123.6	179	-176.5	0	0	0	0	111.2	F922 G928 L929	F922-C926 HydrophobicContact CD2-CB 4.04Å; F922-C926 HydrophobicContact CE1-CB 4.47Å; F922-C926 HydrophobicContact CE2-CB 3.86Å; F922-C926 HydrophobicContact CG-CB 4.42Å; F922-C926 HydrophobicContact CZ-CB 4.09Å; F922-C926 WeakPolarHBondContact O-CB 3.32Å; F922-C926 PolarHBondContact O-N 3.15Å; C926-G928 PolarHBondContact O-N 3.14Å; C926-L929 HydrophobicContact CB-CD1 3.69Å; C926-L929 HydrophobicContact CB-CG 4.03Å; C926-L929 PolarHBondContact O-N 3.06Å
927	P	88.8	Confident	90	Very high	123 Å²	123	59.7 Å²	59.7	80%	0.799	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	133.6	177.9	-23.8	33.4	0	0	0	112.2	Y925	Y925-P927 WeakPolarHBondContact O-CD 3.49Å
928	G	87.4	Confident	89.9	Confident	40 Å²	40	59 Å²	59	41%	0.412	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-19	178.7	0	0	0	0	0	114.7	C926 D930 K931 G932	C926-G928 PolarHBondContact O-N 3.14Å; G928-D930 VanDerWaalsContact C-OD1 3.23Å; G928-D930 WeakPolarHBondContact CA-OD1 3.31Å; G928-D930 PolarHBondContact N-OD1 2.94Å; G928-D930 VanDerWaalsContact N-OD1 3.09Å; G928-D930 PolarHBondContact O-N 3.49Å; G928-K931 PolarHBondContact O-N 3.35Å; G928-K931 VanDerWaalsContact O-N 3.15Å; G928-G932 PolarHBondContact O-N 3.29Å
929	L	88	Confident	89.7	Confident	33 Å²	33	58.9 Å²	58.9	17%	0.173	32%	0.317	C	S	.	.	H	α-helix	trans	-70.4	-20.5	174	-64.8	-173.5	0	0	0	112.7	F922 L923 C926 K931 G932 L933 R934 M935	F922-L929 HydrophobicContact CD1-CD1 4.43Å; F922-L929 HydrophobicContact CE1-CD1 4.25Å; L923-L929 HydrophobicContact CD2-CD1 3.96Å; C926-L929 HydrophobicContact CB-CD1 3.69Å; C926-L929 HydrophobicContact CB-CG 4.03Å; C926-L929 PolarHBondContact O-N 3.06Å; L929-K931 PolarHBondContact O-N 2.98Å; L929-G932 PolarHBondContact O-N 3.41Å; L929-L933 HydrophobicContact CD2-CD1 4.03Å; L929-L933 HydrophobicContact CD2-CG 4.38Å; L929-L933 CarbonylContact O-C 3.58Å; L929-L933 WeakPolarHBondContact O-CA 3.5Å; L929-L933 PolarHBondContact O-N 3.34Å; L929-R934 PolarHBondContact O-N 3.49Å; L929-M935 PolarHBondContact O-N 2.72Å
930	D	85.8	Confident	89.5	Confident	52 Å²	52	62.3 Å²	62.3	28%	0.278	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-29.5	169	64.7	-53.7	0	0	0	112.5	G928 R934 M935 Y936	G928-D930 VanDerWaalsContact C-OD1 3.23Å; G928-D930 WeakPolarHBondContact CA-OD1 3.31Å; G928-D930 PolarHBondContact N-OD1 2.94Å; G928-D930 VanDerWaalsContact N-OD1 3.09Å; G928-D930 PolarHBondContact O-N 3.49Å; D930-R934 WeakPolarHBondContact O-CA 3.17Å; D930-M935 WeakPolarHBondContact CA-O 3.17Å; D930-M935 PolarHBondContact N-O 3.1Å; D930-Y936 HydrophobicContact CB-CD1 4.44Å; D930-Y936 HydrophobicContact CB-CE1 4.31Å; D930-Y936 HydrophobicContact CB-CE2 4.43Å
931	K	81.8	Confident	89.4	Confident	175 Å²	175	69.4 Å²	69.4	76%	0.761	36%	0.362	S	S	*	.	H	α-helix	trans	-92.2	-40.6	176.3	-65.5	178.8	-176.2	173.1	0	112.8	G928 L929	G928-K931 PolarHBondContact O-N 3.35Å; G928-K931 VanDerWaalsContact O-N 3.15Å; L929-K931 PolarHBondContact O-N 2.98Å
932	G	79	Confident	89.4	Confident	60 Å²	60	65.9 Å²	65.9	62%	0.619	35%	0.346	S	S	*	.	H	α-helix	trans	-76	-60.9	-176.9	0	0	0	0	0	112.9	G928 L929	G928-G932 PolarHBondContact O-N 3.29Å; L929-G932 PolarHBondContact O-N 3.41Å
933	L	83.8	Confident	89.4	Confident	50 Å²	50	61 Å²	61	26%	0.262	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-8.5	-176.2	-61.6	176.7	0	0	0	113.2	V760 L923 L929 M935	V760-L933 HydrophobicContact CG1-CB 4.21Å; V760-L933 HydrophobicContact CG1-CD2 3.76Å; L923-L933 HydrophobicContact CD2-CD1 3.71Å; L929-L933 HydrophobicContact CD2-CD1 4.03Å; L929-L933 HydrophobicContact CD2-CG 4.38Å; L929-L933 CarbonylContact O-C 3.58Å; L929-L933 WeakPolarHBondContact O-CA 3.5Å; L929-L933 PolarHBondContact O-N 3.34Å; L933-M935 VanDerWaalsContact C-N 3.28Å; L933-M935 HydrophobicContact CB-CG 4.2Å; L933-M935 HydrophobicContact CB-SD 4.46Å; L933-M935 HydrophobicContact CD1-SD 4.5Å
934	R	85.9	Confident	89.5	Confident	77 Å²	77	65.9 Å²	65.9	29%	0.291	35%	0.345	S	S	.	.			trans	60.4	36.9	-172.7	-54.6	-179.7	178.3	179.1	2.2	112.7	Y871 L929 D930	Y871-R934 HydrophobicContact CD1-CB 4.16Å; Y871-R934 HydrophobicContact CD2-CB 4.38Å; Y871-R934 HydrophobicContact CE1-CB 4.5Å; Y871-R934 HydrophobicContact CG-CB 4.11Å; Y871-R934 PolarHBondContact OH-NH1 3.04Å; L929-R934 PolarHBondContact O-N 3.49Å; D930-R934 WeakPolarHBondContact O-CA 3.17Å
935	M	89	Confident	89.6	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.02	35%	0.349	C	S	.	.			trans	-98	121.4	173.4	-70.9	-177.2	164.7	0	0	109.9	T761 C764 T875 F878 L923 L929 D930 L933	T761-M935 HydrophobicContact CG2-CE 3.68Å; T761-M935 HydrophobicContact CG2-CG 4.35Å; C764-M935 HydrophobicContact CB-CE 3.75Å; T875-M935 HydrophobicContact CG2-CB 4.19Å; T875-M935 HydrophobicContact CG2-CG 4.46Å; T875-M935 VanDerWaalsContact OG1-CA 3.3Å; T875-M935 WeakPolarHBondContact OG1-CA 3.49Å; F878-M935 HydrophobicContact CD1-CE 4.11Å; F878-M935 HydrophobicContact CD2-CE 4.17Å; F878-M935 HydrophobicContact CE1-CE 4.25Å; F878-M935 HydrophobicContact CE2-CE 4.33Å; F878-M935 HydrophobicContact CG-CE 4.08Å; F878-M935 HydrophobicContact CZ-CE 4.37Å; L923-M935 HydrophobicContact CB-SD 3.68Å; L923-M935 HydrophobicContact CD1-SD 4.46Å; L923-M935 HydrophobicContact CD2-SD 4.46Å; L923-M935 HydrophobicContact CG-SD 4.42Å; L923-M935 WeakPolarHBondContact O-CB 3.44Å; L929-M935 PolarHBondContact O-N 2.72Å; D930-M935 WeakPolarHBondContact CA-O 3.17Å; D930-M935 PolarHBondContact N-O 3.1Å; L933-M935 VanDerWaalsContact C-N 3.28Å; L933-M935 HydrophobicContact CB-CG 4.2Å; L933-M935 HydrophobicContact CB-SD 4.46Å; L933-M935 HydrophobicContact CD1-SD 4.5Å
936	Y	91.6	Very high	89.6	Confident	57 Å²	57	62.4 Å²	62.4	22%	0.224	33%	0.333	C	S	.	.			trans	-106.3	148.5	-176.5	-78.6	-102.3	0	0	0	110.5	V868 Y871 T875 D930 L938	V868-Y936 HydrophobicContact CB-CE1 4.32Å; V868-Y936 HydrophobicContact CG1-CD1 3.86Å; V868-Y936 HydrophobicContact CG1-CE1 3.74Å; V868-Y936 HydrophobicContact CG2-CE1 3.98Å; Y871-Y936 VanDerWaalsContact CB-CE2 3.47Å; Y871-Y936 HydrophobicContact CD2-CD2 4.38Å; Y871-Y936 AromaticContact CD2-CE2 3.58Å; Y871-Y936 HydrophobicContact CD2-CE2 3.58Å; Y871-Y936 HydrophobicContact CG-CD2 4.33Å; Y871-Y936 AromaticContact CG-CE2 3.95Å; Y871-Y936 HydrophobicContact CG-CE2 3.95Å; T875-Y936 WeakPolarHBondContact CG2-O 3.38Å; T875-Y936 PolarHBondContact OG1-N 3.12Å; D930-Y936 HydrophobicContact CB-CD1 4.44Å; D930-Y936 HydrophobicContact CB-CE1 4.31Å; D930-Y936 HydrophobicContact CB-CE2 4.43Å; Y936-L938 PolarHBondContact O-N 3.38Å
937	S	92.8	Very high	89.7	Confident	82 Å²	82	64 Å²	64	57%	0.573	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-60.5	138.9	179.9	55.2	0	0	0	0	111.9	A924	A924-S937 VanDerWaalsContact O-CA 3.32Å; A924-S937 WeakPolarHBondContact O-CA 3.38Å; A924-S937 PolarHBondContact O-N 3.04Å
938	L	92.3	Very high	90.1	Very high	11 Å²	11	61.9 Å²	61.9	6%	0.058	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-98.9	150.1	179.5	-59.7	-178.6	0	0	0	110.6	T872 T875 A876 V879 Y925 Y936 W942	T872-L938 HydrophobicContact CG2-CD2 3.88Å; T875-L938 HydrophobicContact CG2-CD1 4.21Å; T875-L938 HydrophobicContact CG2-CD2 4.28Å; T875-L938 HydrophobicContact CG2-CG 4.12Å; A876-L938 HydrophobicContact CB-CD1 4.13Å; A876-L938 HydrophobicContact CB-CD2 3.82Å; V879-L938 HydrophobicContact CB-CD1 4.05Å; V879-L938 HydrophobicContact CG1-CD1 4.47Å; V879-L938 HydrophobicContact CG2-CD1 3.68Å; Y925-L938 WeakPolarHBondContact CE1-O 3.46Å; Y925-L938 PolarHBondContact OH-O 3.47Å; Y936-L938 PolarHBondContact O-N 3.38Å; L938-W942 HydrophobicContact CB-CE3 4.27Å; L938-W942 HydrophobicContact CD2-CE3 4.04Å
939	K	91.9	Very high	90.5	Very high	85 Å²	85	62.2 Å²	62.2	37%	0.37	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-69.3	143.7	162.4	-75.1	149.4	160.5	-176	0	108.8	W941 W942	K939-W941 HydrophobicContact CB-CD2 3.8Å; K939-W941 HydrophobicContact CB-CE3 4.05Å; K939-W941 HydrophobicContact CB-CG 4.47Å; K939-W941 HydrophobicContact CB-CH2 3.96Å; K939-W941 HydrophobicContact CB-CZ2 3.72Å; K939-W941 HydrophobicContact CB-CZ3 4.11Å; K939-W941 HydrophobicContact CD-CH2 3.86Å; K939-W941 HydrophobicContact CD-CZ2 3.27Å; K939-W941 HydrophobicContact CG-CH2 3.72Å; K939-W941 HydrophobicContact CG-CZ2 3.59Å; K939-W941 HydrophobicContact CG-CZ3 4.28Å; K939-W941 PolarHBondContact O-N 2.75Å; K939-W941 VanDerWaalsContact O-N 3.16Å; K939-W942 HydrophobicContact CB-CD2 3.84Å; K939-W942 HydrophobicContact CB-CE3 3.92Å; K939-W942 HydrophobicContact CB-CG 4.21Å; K939-W942 HydrophobicContact CB-CZ3 4.37Å; K939-W942 HydrophobicContact CD-CD2 4.11Å; K939-W942 HydrophobicContact CD-CE3 4.17Å; K939-W942 HydrophobicContact CD-CH2 3.58Å; K939-W942 HydrophobicContact CD-CZ2 3.47Å; K939-W942 VanDerWaalsContact CD-CZ2 3.47Å; K939-W942 HydrophobicContact CD-CZ3 3.9Å; K939-W942 HydrophobicContact CG-CD2 4.49Å; K939-W942 HydrophobicContact CG-CE3 4.35Å; K939-W942 HydrophobicContact CG-CH2 4.47Å; K939-W942 HydrophobicContact CG-CZ3 4.31Å; K939-W942 VanDerWaalsContact N-CE3 3.34Å; K939-W942 WeakPolarHBondContact O-CB 3.31Å; K939-W942 PolarHBondContact O-N 2.86Å
940	L	89.5	Confident	90.9	Very high	110 Å²	110	61.2 Å²	61.2	58%	0.576	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-55.9	-37.4	-176.5	-177	63.6	0	0	0	112.6	W942 W943 F944	L940-W942 PolarHBondContact O-N 3.47Å; L940-W943 PolarHBondContact O-N 2.95Å; L940-F944 HydrophobicContact CG-CE2 4.43Å
941	W	91.5	Very high	91.3	Very high	150 Å²	150	63.1 Å²	63.1	57%	0.568	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-70.8	-16.8	-179.7	58.1	89.1	0	0	0	114.2	K939 W943 F944 P945	K939-W941 HydrophobicContact CB-CD2 3.8Å; K939-W941 HydrophobicContact CB-CE3 4.05Å; K939-W941 HydrophobicContact CB-CG 4.47Å; K939-W941 HydrophobicContact CB-CH2 3.96Å; K939-W941 HydrophobicContact CB-CZ2 3.72Å; K939-W941 HydrophobicContact CB-CZ3 4.11Å; K939-W941 HydrophobicContact CD-CH2 3.86Å; K939-W941 HydrophobicContact CD-CZ2 3.27Å; K939-W941 HydrophobicContact CG-CH2 3.72Å; K939-W941 HydrophobicContact CG-CZ2 3.59Å; K939-W941 HydrophobicContact CG-CZ3 4.28Å; K939-W941 PolarHBondContact O-N 2.75Å; K939-W941 VanDerWaalsContact O-N 3.16Å; W941-W943 PolarHBondContact O-N 2.81Å; W941-F944 PolarHBondContact O-N 3.37Å; W941-P945 WeakPolarHBondContact O-CD 3.27Å
942	W	93.4	Very high	92	Very high	11 Å²	11	59 Å²	59	4%	0.042	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-76.6	-4.5	175.3	-65.3	-23	0	0	0	113.6	I827 D830 T872 L938 K939 L940 P945	I827-W942 HydrophobicContact CD1-CB 4.08Å; I827-W942 HydrophobicContact CD1-CD2 3.88Å; I827-W942 HydrophobicContact CD1-CE3 4.11Å; I827-W942 HydrophobicContact CD1-CG 3.91Å; I827-W942 HydrophobicContact CG1-CB 4.41Å; I827-W942 HydrophobicContact CG1-CD2 3.77Å; I827-W942 HydrophobicContact CG1-CE3 4.37Å; I827-W942 HydrophobicContact CG1-CG 3.8Å; I827-W942 HydrophobicContact CG1-CZ2 4.34Å; I827-W942 HydrophobicContact CG2-CH2 4.07Å; I827-W942 HydrophobicContact CG2-CZ2 3.99Å; I827-W942 HydrophobicContact CG2-CZ3 4.45Å; D830-W942 PolarHBondContact OD2-NE1 2.8Å; T872-W942 HydrophobicContact CG2-CE3 4.15Å; T872-W942 HydrophobicContact CG2-CH2 4.06Å; T872-W942 HydrophobicContact CG2-CZ3 3.39Å; L938-W942 HydrophobicContact CB-CE3 4.27Å; L938-W942 HydrophobicContact CD2-CE3 4.04Å; K939-W942 HydrophobicContact CB-CD2 3.84Å; K939-W942 HydrophobicContact CB-CE3 3.92Å; K939-W942 HydrophobicContact CB-CG 4.21Å; K939-W942 HydrophobicContact CB-CZ3 4.37Å; K939-W942 HydrophobicContact CD-CD2 4.11Å; K939-W942 HydrophobicContact CD-CE3 4.17Å; K939-W942 HydrophobicContact CD-CH2 3.58Å; K939-W942 HydrophobicContact CD-CZ2 3.47Å; K939-W942 VanDerWaalsContact CD-CZ2 3.47Å; K939-W942 HydrophobicContact CD-CZ3 3.9Å; K939-W942 HydrophobicContact CG-CD2 4.49Å; K939-W942 HydrophobicContact CG-CE3 4.35Å; K939-W942 HydrophobicContact CG-CH2 4.47Å; K939-W942 HydrophobicContact CG-CZ3 4.31Å; K939-W942 VanDerWaalsContact N-CE3 3.34Å; K939-W942 WeakPolarHBondContact O-CB 3.31Å; K939-W942 PolarHBondContact O-N 2.86Å; L940-W942 PolarHBondContact O-N 3.47Å; W942-P945 VanDerWaalsContact C-CD 3.45Å; W942-P945 VanDerWaalsContact O-CD 3.29Å; W942-P945 WeakPolarHBondContact O-CD 3.31Å
943	W	93.1	Very high	92.8	Very high	13 Å²	13	56.2 Å²	56.2	5%	0.049	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-77.7	-34.9	169.2	-78.7	66.4	0	0	0	112.1	V879 I883 A920 F921 Y925 L940 W941	V879-W943 HydrophobicContact CG1-CD2 3.43Å; V879-W943 VanDerWaalsContact CG1-CD2 3.43Å; V879-W943 HydrophobicContact CG1-CE3 3.45Å; V879-W943 VanDerWaalsContact CG1-CE3 3.45Å; V879-W943 HydrophobicContact CG1-CG 3.98Å; V879-W943 HydrophobicContact CG1-CH2 3.94Å; V879-W943 HydrophobicContact CG1-CZ2 3.93Å; V879-W943 HydrophobicContact CG1-CZ3 3.71Å; V879-W943 HydrophobicContact CG2-CH2 3.99Å; V879-W943 HydrophobicContact CG2-CZ2 3.73Å; I883-W943 HydrophobicContact CD1-CB 4.42Å; I883-W943 HydrophobicContact CD1-CE3 4.06Å; I883-W943 WeakPolarHBondContact CD1-O 3.16Å; A920-W943 HydrophobicContact CB-CH2 4.05Å; F921-W943 HydrophobicContact CD1-CH2 4.2Å; F921-W943 AromaticContact CD1-CZ2 3.93Å; F921-W943 HydrophobicContact CD1-CZ2 3.93Å; F921-W943 AromaticContact CD2-CH2 3.77Å; F921-W943 HydrophobicContact CD2-CH2 3.77Å; F921-W943 HydrophobicContact CD2-CZ2 4.33Å; F921-W943 HydrophobicContact CD2-CZ3 4.24Å; F921-W943 HydrophobicContact CE1-CH2 4.14Å; F921-W943 AromaticContact CE1-CZ2 3.83Å; F921-W943 HydrophobicContact CE1-CZ2 3.83Å; F921-W943 HydrophobicContact CE2-CE3 4.35Å; F921-W943 AromaticContact CE2-CH2 3.69Å; F921-W943 HydrophobicContact CE2-CH2 3.69Å; F921-W943 HydrophobicContact CE2-CZ2 4.24Å; F921-W943 AromaticContact CE2-CZ3 3.76Å; F921-W943 HydrophobicContact CE2-CZ3 3.76Å; F921-W943 AromaticContact CG-CH2 4Å; F921-W943 HydrophobicContact CG-CH2 4Å; F921-W943 HydrophobicContact CG-CZ2 4.16Å; F921-W943 HydrophobicContact CZ-CD2 4.28Å; F921-W943 HydrophobicContact CZ-CE3 4.16Å; F921-W943 AromaticContact CZ-CH2 3.87Å; F921-W943 HydrophobicContact CZ-CH2 3.87Å; F921-W943 AromaticContact CZ-CZ2 3.98Å; F921-W943 HydrophobicContact CZ-CZ2 3.98Å; F921-W943 AromaticContact CZ-CZ3 3.97Å; F921-W943 HydrophobicContact CZ-CZ3 3.97Å; Y925-W943 HydrophobicContact CE2-CZ2 4.05Å; Y925-W943 AromaticContact CE2-NE1 3.97Å; Y925-W943 AromaticContact CZ-NE1 3.91Å; Y925-W943 PolarHBondContact OH-NE1 3.35Å; L940-W943 PolarHBondContact O-N 2.95Å; W941-W943 PolarHBondContact O-N 2.81Å
944	F	94.6	Very high	93.4	Very high	121 Å²	121	57.3 Å²	57.3	53%	0.531	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-76.5	-19.2	-172.5	-57.9	-71.4	0	0	0	118	L940 W941 A946 L947	L940-F944 HydrophobicContact CG-CE2 4.43Å; W941-F944 PolarHBondContact O-N 3.37Å; F944-A946 PolarHBondContact O-N 3.36Å; F944-A946 VanDerWaalsContact O-N 3.15Å; F944-L947 VanDerWaalsContact O-CB 3.3Å; F944-L947 WeakPolarHBondContact O-CB 3.46Å; F944-L947 PolarHBondContact O-N 2.95Å
945	P	94.1	Very high	93.8	Very high	17 Å²	17	58 Å²	58	11%	0.11	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-60	-28.1	-176.1	-25.2	35.2	0	0	0	114.4	F822 T823 V826 W941 W942 P948	F822-P945 HydrophobicContact CD1-CB 3.87Å; F822-P945 WeakPolarHBondContact CD1-O 3.32Å; F822-P945 HydrophobicContact CE1-CB 3.87Å; T823-P945 HydrophobicContact CG2-CB 4.46Å; T823-P945 HydrophobicContact CG2-CG 4.43Å; V826-P945 HydrophobicContact CG1-CG 4.38Å; W941-P945 WeakPolarHBondContact O-CD 3.27Å; W942-P945 VanDerWaalsContact C-CD 3.45Å; W942-P945 VanDerWaalsContact O-CD 3.29Å; W942-P945 WeakPolarHBondContact O-CD 3.31Å; P945-P948 WeakPolarHBondContact O-CD 3.03Å
946	A	94.7	Very high	94.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-82.3	-17.7	178.3	0	0	0	0	0	114	A819 I883 V884 F944 F949 S950	A819-A946 HydrophobicContact CB-CB 4.35Å; I883-A946 HydrophobicContact CB-CB 4.16Å; I883-A946 HydrophobicContact CD1-CB 4.48Å; I883-A946 HydrophobicContact CG2-CB 4.06Å; V884-A946 HydrophobicContact CG1-CB 4.47Å; F944-A946 PolarHBondContact O-N 3.36Å; F944-A946 VanDerWaalsContact O-N 3.15Å; A946-F949 WeakPolarHBondContact O-CB 3.39Å; A946-F949 PolarHBondContact O-N 2.89Å; A946-F949 VanDerWaalsContact O-N 3.14Å; A946-S950 PolarHBondContact O-N 2.93Å
947	L	95.2	Very high	94.3	Very high	73 Å²	73	58.5 Å²	58.5	38%	0.382	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-41.6	-175	-166.9	103.3	0	0	0	113.9	F944 F949 S950 I951	F944-L947 VanDerWaalsContact O-CB 3.3Å; F944-L947 WeakPolarHBondContact O-CB 3.46Å; F944-L947 PolarHBondContact O-N 2.95Å; L947-F949 VanDerWaalsContact C-N 3.26Å; L947-F949 PolarHBondContact O-N 3.23Å; L947-S950 WeakPolarHBondContact O-CB 3.14Å; L947-S950 PolarHBondContact O-N 3.2Å; L947-I951 HydrophobicContact CD2-CD1 4.27Å; L947-I951 PolarHBondContact O-N 2.82Å; L947-I951 VanDerWaalsContact O-N 3.11Å
948	P	96.1	Very high	94.4	Very high	79 Å²	79	56.2 Å²	56.2	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-60.8	-34.3	177.1	-24	35.6	0	0	0	113.3	P945 I951 L952	P945-P948 WeakPolarHBondContact O-CD 3.03Å; P948-I951 PolarHBondContact O-N 3.36Å; P948-L952 WeakPolarHBondContact O-CB 3.3Å; P948-L952 PolarHBondContact O-N 2.67Å
949	F	96.6	Very high	94.5	Very high	46 Å²	46	58.7 Å²	58.7	20%	0.202	29%	0.29	C	S	.	.	H	α-helix	trans	-71.6	-37.5	177.2	-66.7	-93.2	0	0	0	111.6	A819 F822 V884 A946 L947 I951 L952 I953	A819-F949 HydrophobicContact CB-CB 3.54Å; A819-F949 HydrophobicContact CB-CD1 4.09Å; A819-F949 HydrophobicContact CB-CD2 3.73Å; A819-F949 HydrophobicContact CB-CE2 4.45Å; A819-F949 HydrophobicContact CB-CG 3.52Å; F822-F949 HydrophobicContact CB-CE2 3.88Å; F822-F949 HydrophobicContact CB-CZ 4.05Å; F822-F949 AromaticContact CD1-CE2 3.82Å; F822-F949 HydrophobicContact CD1-CE2 3.82Å; F822-F949 AromaticContact CG-CE2 3.88Å; F822-F949 HydrophobicContact CG-CE2 3.88Å; F822-F949 HydrophobicContact CG-CZ 4.25Å; V884-F949 HydrophobicContact CG1-CB 4.21Å; A946-F949 WeakPolarHBondContact O-CB 3.39Å; A946-F949 PolarHBondContact O-N 2.89Å; A946-F949 VanDerWaalsContact O-N 3.14Å; L947-F949 VanDerWaalsContact C-N 3.26Å; L947-F949 PolarHBondContact O-N 3.23Å; F949-I951 VanDerWaalsContact C-N 3.34Å; F949-I951 PolarHBondContact O-N 3.08Å; F949-L952 WeakPolarHBondContact O-CB 3.43Å; F949-L952 PolarHBondContact O-N 3.31Å; F949-I953 VanDerWaalsContact O-CG1 3.31Å; F949-I953 WeakPolarHBondContact O-CG1 3.29Å; F949-I953 PolarHBondContact O-N 2.67Å
950	S	95.5	Very high	94.5	Very high	13 Å²	13	55.4 Å²	55.4	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-44.7	172.7	-169.7	0	0	0	0	111.4	I883 A887 A946 L947 L952 I953 F954	I883-S950 WeakPolarHBondContact O-CB 3.46Å; I883-S950 PolarHBondContact O-OG 3.11Å; A887-S950 WeakPolarHBondContact CB-O 3.41Å; A887-S950 VanDerWaalsContact CB-OG 3.23Å; A887-S950 WeakPolarHBondContact CB-OG 3.38Å; A946-S950 PolarHBondContact O-N 2.93Å; L947-S950 WeakPolarHBondContact O-CB 3.14Å; L947-S950 PolarHBondContact O-N 3.2Å; S950-L952 PolarHBondContact O-N 2.63Å; S950-I953 PolarHBondContact O-N 3.43Å; S950-F954 PolarHBondContact O-N 3.33Å; S950-F954 VanDerWaalsContact O-N 3.14Å
951	I	95.9	Very high	94.7	Very high	92 Å²	92	50.2 Å²	50.2	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-64	-40.8	174.3	-63.7	169	0	0	0	111.5	L947 P948 F949 F954 I955	L947-I951 HydrophobicContact CD2-CD1 4.27Å; L947-I951 PolarHBondContact O-N 2.82Å; L947-I951 VanDerWaalsContact O-N 3.11Å; P948-I951 PolarHBondContact O-N 3.36Å; F949-I951 VanDerWaalsContact C-N 3.34Å; F949-I951 PolarHBondContact O-N 3.08Å; I951-F954 PolarHBondContact O-N 3.29Å; I951-I955 HydrophobicContact CG2-CD1 3.72Å; I951-I955 HydrophobicContact CG2-CG1 4.37Å; I951-I955 WeakPolarHBondContact O-CG1 3.42Å; I951-I955 PolarHBondContact O-N 3.45Å
952	L	96.1	Very high	94.8	Very high	89 Å²	89	44.4 Å²	44.4	47%	0.466	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-46.6	177.9	178.7	64.8	0	0	0	111.8	M815 P948 F949 S950 F954 I955 F956	M815-L952 HydrophobicContact SD-CD2 4.32Å; M815-L952 HydrophobicContact SD-CG 4.29Å; P948-L952 WeakPolarHBondContact O-CB 3.3Å; P948-L952 PolarHBondContact O-N 2.67Å; F949-L952 WeakPolarHBondContact O-CB 3.43Å; F949-L952 PolarHBondContact O-N 3.31Å; S950-L952 PolarHBondContact O-N 2.63Å; L952-F954 VanDerWaalsContact C-N 3.31Å; L952-F954 PolarHBondContact O-N 3.09Å; L952-I955 PolarHBondContact O-N 2.91Å; L952-F956 VanDerWaalsContact O-CB 3.24Å; L952-F956 WeakPolarHBondContact O-CB 3.22Å; L952-F956 PolarHBondContact O-N 3.11Å
953	I	96.2	Very high	94.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56	-48.1	176.7	-73.6	167.1	0	0	0	110	I812 M815 Q816 V884 A887 I891 F949 S950 F956 D957	I812-I953 HydrophobicContact CD1-CG2 4.45Å; I812-I953 HydrophobicContact CG2-CD1 4.29Å; I812-I953 HydrophobicContact CG2-CG1 4.35Å; I812-I953 HydrophobicContact CG2-CG2 3.93Å; M815-I953 HydrophobicContact CB-CD1 4.1Å; M815-I953 HydrophobicContact CB-CG1 3.84Å; M815-I953 HydrophobicContact SD-CG1 3.92Å; Q816-I953 HydrophobicContact CG-CD1 3.89Å; V884-I953 HydrophobicContact CB-CD1 3.99Å; V884-I953 HydrophobicContact CG1-CD1 4.31Å; A887-I953 HydrophobicContact CB-CB 4.2Å; A887-I953 HydrophobicContact CB-CG2 3.98Å; I891-I953 HydrophobicContact CD1-CG2 3.6Å; I891-I953 HydrophobicContact CG1-CG2 4.48Å; F949-I953 VanDerWaalsContact O-CG1 3.31Å; F949-I953 WeakPolarHBondContact O-CG1 3.29Å; F949-I953 PolarHBondContact O-N 2.67Å; S950-I953 PolarHBondContact O-N 3.43Å; I953-F956 PolarHBondContact O-N 3.05Å; I953-D957 PolarHBondContact O-N 2.97Å
954	F	95.1	Very high	94.6	Very high	73 Å²	73	46.5 Å²	46.5	32%	0.32	25%	0.247	S	C	.	.	H	α-helix	trans	-59.6	-49.5	178.3	178.2	-97.5	0	0	0	112.9	I890 I891 L899 S950 I951 L952 F956 E958	I890-F954 HydrophobicContact CG2-CD2 4.02Å; I890-F954 HydrophobicContact CG2-CE2 3.83Å; I891-F954 HydrophobicContact CG2-CD2 4.28Å; L899-F954 HydrophobicContact CD2-CE2 3.77Å; L899-F954 HydrophobicContact CD2-CZ 4.15Å; S950-F954 PolarHBondContact O-N 3.33Å; S950-F954 VanDerWaalsContact O-N 3.14Å; I951-F954 PolarHBondContact O-N 3.29Å; L952-F954 VanDerWaalsContact C-N 3.31Å; L952-F954 PolarHBondContact O-N 3.09Å; F954-F956 VanDerWaalsContact C-N 3.34Å; F954-F956 PolarHBondContact O-N 2.86Å; F954-E958 WeakPolarHBondContact O-CB 3.45Å; F954-E958 PolarHBondContact O-N 2.87Å
955	I	95.7	Very high	94.4	Very high	91 Å²	91	44.1 Å²	44.1	47%	0.467	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-40.4	-179.5	-67.7	171	0	0	0	110.9	I951 L952 S959	I951-I955 HydrophobicContact CG2-CD1 3.72Å; I951-I955 HydrophobicContact CG2-CG1 4.37Å; I951-I955 WeakPolarHBondContact O-CG1 3.42Å; I951-I955 PolarHBondContact O-N 3.45Å; L952-I955 PolarHBondContact O-N 2.91Å; I955-S959 VanDerWaalsContact O-CB 3.24Å; I955-S959 WeakPolarHBondContact O-CB 3.22Å; I955-S959 PolarHBondContact O-N 3.2Å; I955-S959 PolarHBondContact O-OG 3.13Å
956	F	95.4	Very high	94.2	Very high	73 Å²	73	54 Å²	54	32%	0.32	27%	0.269	S	S	.	.	H	α-helix	trans	-60.9	-51.7	180	175.4	-101	0	0	0	111.3	M811 I812 M815 L952 I953 F954 S959 R960	M811-F956 HydrophobicContact CB-CE1 4.28Å; M811-F956 HydrophobicContact SD-CE1 4.24Å; M811-F956 HydrophobicContact SD-CZ 4.06Å; I812-F956 HydrophobicContact CD1-CD1 3.87Å; I812-F956 HydrophobicContact CD1-CE1 4.11Å; M815-F956 HydrophobicContact CE-CB 4.35Å; M815-F956 HydrophobicContact CE-CD1 3.88Å; M815-F956 HydrophobicContact CE-CD2 4.02Å; M815-F956 HydrophobicContact CE-CE1 4.15Å; M815-F956 HydrophobicContact CE-CE2 4.27Å; M815-F956 HydrophobicContact CE-CG 3.81Å; M815-F956 HydrophobicContact CE-CZ 4.33Å; L952-F956 VanDerWaalsContact O-CB 3.24Å; L952-F956 WeakPolarHBondContact O-CB 3.22Å; L952-F956 PolarHBondContact O-N 3.11Å; I953-F956 PolarHBondContact O-N 3.05Å; F954-F956 VanDerWaalsContact C-N 3.34Å; F954-F956 PolarHBondContact O-N 2.86Å; F956-S959 PolarHBondContact O-N 3.36Å; F956-R960 WeakPolarHBondContact O-CB 3.47Å; F956-R960 PolarHBondContact O-N 3.31Å
957	D	94.6	Very high	93.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.6	-39.7	-178.5	-171.4	65.7	0	0	0	112.5	F807 I891 I953 S959 R960 R961	F807-D957 WeakPolarHBondContact CE2-OD1 3.1Å; F807-D957 VanDerWaalsContact CZ-OD1 3.28Å; F807-D957 WeakPolarHBondContact CZ-OD1 3.42Å; I891-D957 HydrophobicContact CB-CB 3.81Å; I891-D957 HydrophobicContact CD1-CB 3.87Å; I891-D957 HydrophobicContact CG1-CB 4.43Å; I891-D957 HydrophobicContact CG2-CB 3.69Å; I953-D957 PolarHBondContact O-N 2.97Å; D957-S959 VanDerWaalsContact C-N 3.27Å; D957-S959 PolarHBondContact O-N 2.77Å; D957-R960 WeakPolarHBondContact O-CB 3.26Å; D957-R960 PolarHBondContact O-N 3.23Å; D957-R960 VanDerWaalsContact O-N 3.16Å; D957-R960 IonicContact OD1-CZ 3.47Å; D957-R960 IonicContact OD1-NE 3.02Å; D957-R960 PolarHBondContact OD1-NE 2.92Å; D957-R960 IonicContact OD1-NH2 3.11Å; D957-R960 PolarHBondContact OD1-NH2 2.93Å; D957-R960 IonicContact OD2-NH2 3.74Å; D957-R961 WeakPolarHBondContact O-CG 3.33Å; D957-R961 PolarHBondContact O-N 3.11Å; D957-R961 WeakPolarHBondContact OD2-CD 3.21Å; D957-R961 IonicContact OD2-CZ 2.79Å; D957-R961 IonicContact OD2-NE 3.42Å; D957-R961 PolarHBondContact OD2-NE 3.41Å; D957-R961 VanDerWaalsContact OD2-NE 3.14Å; D957-R961 IonicContact OD2-NH1 3.57Å; D957-R961 PolarHBondContact OD2-NH1 3.47Å; D957-R961 VanDerWaalsContact OD2-NH1 3.07Å; D957-R961 IonicContact OD2-NH2 2.7Å
958	E	94.7	Very high	93.3	Very high	33 Å²	33	60.6 Å²	60.6	15%	0.154	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-37.7	176	-172	56.6	-141.6	0	0	111.6	S898 L899 F954 R961 A962 R965	S898-E958 WeakPolarHBondContact CA-OE1 3.5Å; S898-E958 WeakPolarHBondContact CB-OE1 3.17Å; S898-E958 PolarHBondContact OG-OE1 3.09Å; L899-E958 PolarHBondContact N-OE2 2.83Å; F954-E958 WeakPolarHBondContact O-CB 3.45Å; F954-E958 PolarHBondContact O-N 2.87Å; E958-R961 PolarHBondContact O-N 3.35Å; E958-R961 IonicContact OE2-CZ 3.2Å; E958-R961 IonicContact OE2-NE 3.67Å; E958-R961 PolarHBondContact OE2-NE 3.28Å; E958-R961 IonicContact OE2-NH2 3.93Å; E958-R961 PolarHBondContact OE2-NH2 3.26Å; E958-A962 WeakPolarHBondContact O-CB 3.49Å; E958-A962 PolarHBondContact O-N 2.82Å; E958-R965 IonicContact OE1-NH2 3.36Å; E958-R965 PolarHBondContact OE1-NH2 3.49Å
959	S	93.7	Very high	92.5	Very high	64 Å²	64	62.4 Å²	62.4	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-64.5	-44.3	173.2	-59.5	0	0	0	0	111.6	I955 F956 D957 R961 A962 V963	I955-S959 VanDerWaalsContact O-CB 3.24Å; I955-S959 WeakPolarHBondContact O-CB 3.22Å; I955-S959 PolarHBondContact O-N 3.2Å; I955-S959 PolarHBondContact O-OG 3.13Å; F956-S959 PolarHBondContact O-N 3.36Å; D957-S959 VanDerWaalsContact C-N 3.27Å; D957-S959 PolarHBondContact O-N 2.77Å; S959-R961 PolarHBondContact O-N 2.99Å; S959-A962 WeakPolarHBondContact O-CB 3.4Å; S959-A962 PolarHBondContact O-N 3.17Å; S959-V963 WeakPolarHBondContact O-CG2 3.47Å; S959-V963 PolarHBondContact O-N 3.36Å
960	R	93.6	Very high	91.9	Very high	16 Å²	16	61.8 Å²	61.8	6%	0.06	32%	0.318	C	S	.	.	H	α-helix	trans	-57.8	-49.1	175	-177.7	-165.9	70.3	90.9	0.7	111.2	F956 D957 A962 V963 L964 V973 T977	F956-R960 WeakPolarHBondContact O-CB 3.47Å; F956-R960 PolarHBondContact O-N 3.31Å; D957-R960 WeakPolarHBondContact O-CB 3.26Å; D957-R960 PolarHBondContact O-N 3.23Å; D957-R960 VanDerWaalsContact O-N 3.16Å; D957-R960 IonicContact OD1-CZ 3.47Å; D957-R960 IonicContact OD1-NE 3.02Å; D957-R960 PolarHBondContact OD1-NE 2.92Å; D957-R960 IonicContact OD1-NH2 3.11Å; D957-R960 PolarHBondContact OD1-NH2 2.93Å; D957-R960 IonicContact OD2-NH2 3.74Å; R960-A962 VanDerWaalsContact C-N 3.34Å; R960-A962 PolarHBondContact O-N 2.63Å; R960-V963 PolarHBondContact O-N 2.85Å; R960-L964 HydrophobicContact CG-CD1 4.49Å; R960-L964 WeakPolarHBondContact O-CG 3.22Å; R960-L964 PolarHBondContact O-N 3.15Å; R960-V973 HydrophobicContact CG-CG1 4.19Å; R960-T977 PolarHBondContact NH1-O 3.02Å; R960-T977 PolarHBondContact NH1-OG1 2.82Å
961	R	92.9	Very high	91.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-36.9	177.7	-64.9	-174	-62.1	-145.1	-4	112	I891 T894 N897 D957 E958 S959 V963 L964 R965	I891-R961 PolarHBondContact O-NH1 3.23Å; T894-R961 WeakPolarHBondContact O-CD 3.37Å; T894-R961 PolarHBondContact O-NH1 3.3Å; T894-R961 PolarHBondContact OG1-NH1 3.42Å; N897-R961 WeakPolarHBondContact O-CD 3.37Å; N897-R961 PolarHBondContact O-NE 3.01Å; D957-R961 WeakPolarHBondContact O-CG 3.33Å; D957-R961 PolarHBondContact O-N 3.11Å; D957-R961 WeakPolarHBondContact OD2-CD 3.21Å; D957-R961 IonicContact OD2-CZ 2.79Å; D957-R961 IonicContact OD2-NE 3.42Å; D957-R961 PolarHBondContact OD2-NE 3.41Å; D957-R961 VanDerWaalsContact OD2-NE 3.14Å; D957-R961 IonicContact OD2-NH1 3.57Å; D957-R961 PolarHBondContact OD2-NH1 3.47Å; D957-R961 VanDerWaalsContact OD2-NH1 3.07Å; D957-R961 IonicContact OD2-NH2 2.7Å; E958-R961 PolarHBondContact O-N 3.35Å; E958-R961 IonicContact OE2-CZ 3.2Å; E958-R961 IonicContact OE2-NE 3.67Å; E958-R961 PolarHBondContact OE2-NE 3.28Å; E958-R961 IonicContact OE2-NH2 3.93Å; E958-R961 PolarHBondContact OE2-NH2 3.26Å; S959-R961 PolarHBondContact O-N 2.99Å; R961-V963 VanDerWaalsContact C-N 3.34Å; R961-V963 PolarHBondContact O-N 3.47Å; R961-L964 PolarHBondContact O-N 2.91Å; R961-R965 VanDerWaalsContact CB-NH1 3.3Å; R961-R965 WeakPolarHBondContact O-CG 2.98Å; R961-R965 PolarHBondContact O-N 3.03Å; R961-R965 PolarHBondContact O-NH1 2.86Å
962	A	92.7	Very high	91.2	Very high	28 Å²	28	65.5 Å²	65.5	23%	0.231	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-40.4	173.4	0	0	0	0	0	112.3	E958 S959 R960 R966	E958-A962 WeakPolarHBondContact O-CB 3.49Å; E958-A962 PolarHBondContact O-N 2.82Å; S959-A962 WeakPolarHBondContact O-CB 3.4Å; S959-A962 PolarHBondContact O-N 3.17Å; R960-A962 VanDerWaalsContact C-N 3.34Å; R960-A962 PolarHBondContact O-N 2.63Å; A962-R966 WeakPolarHBondContact O-CG 3.47Å; A962-R966 PolarHBondContact O-N 2.94Å
963	V	92.4	Very high	90.8	Very high	68 Å²	68	63.1 Å²	63.1	41%	0.412	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-42.1	173.9	176	0	0	0	0	111	S959 R960 R961 R965 R966 S967 V973	S959-V963 WeakPolarHBondContact O-CG2 3.47Å; S959-V963 PolarHBondContact O-N 3.36Å; R960-V963 PolarHBondContact O-N 2.85Å; R961-V963 VanDerWaalsContact C-N 3.34Å; R961-V963 PolarHBondContact O-N 3.47Å; V963-R965 PolarHBondContact O-N 3.02Å; V963-R966 PolarHBondContact O-N 2.66Å; V963-S967 VanDerWaalsContact O-CB 3.27Å; V963-S967 WeakPolarHBondContact O-CB 3.06Å; V963-S967 PolarHBondContact O-N 2.79Å; V963-S967 PolarHBondContact O-OG 3.19Å; V963-V973 HydrophobicContact CG1-CB 4.38Å; V963-V973 HydrophobicContact CG1-CG1 4.44Å; V963-V973 HydrophobicContact CG1-CG2 3.83Å
964	L	91	Very high	90.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-44.2	176.4	-77.5	173.2	0	0	0	112.8	R960 R961 R966 V973 E974	R960-L964 HydrophobicContact CG-CD1 4.49Å; R960-L964 WeakPolarHBondContact O-CG 3.22Å; R960-L964 PolarHBondContact O-N 3.15Å; R961-L964 PolarHBondContact O-N 2.91Å; L964-R966 VanDerWaalsContact C-N 3.33Å; L964-R966 PolarHBondContact O-N 3.12Å; L964-V973 HydrophobicContact CD2-CB 4.07Å; L964-V973 HydrophobicContact CD2-CG1 3.7Å; L964-V973 HydrophobicContact CG-CG1 3.86Å; L964-E974 HydrophobicContact CD2-CB 3.75Å; L964-E974 HydrophobicContact CD2-CG 4.39Å
965	R	90.3	Very high	89.9	Confident	72 Å²	72	68.7 Å²	68.7	27%	0.272	34%	0.341	S	S	.	.	H	α-helix	trans	-68.4	-31	179.3	-69.6	-173.4	-59.2	-89.2	4.9	113	R896 N897 E958 R961 V963	R896-R965 HydrophobicContact CG-CG 4.31Å; R896-R965 PolarHBondContact O-NH1 3.43Å; N897-R965 VanDerWaalsContact C-NH1 3.34Å; E958-R965 IonicContact OE1-NH2 3.36Å; E958-R965 PolarHBondContact OE1-NH2 3.49Å; R961-R965 VanDerWaalsContact CB-NH1 3.3Å; R961-R965 WeakPolarHBondContact O-CG 2.98Å; R961-R965 PolarHBondContact O-N 3.03Å; R961-R965 PolarHBondContact O-NH1 2.86Å; V963-R965 PolarHBondContact O-N 3.02Å
966	R	90.4	Very high	89.6	Confident	224 Å²	224	68.5 Å²	68.5	85%	0.845	34%	0.339	S	S	*	.	H	α-helix	trans	-85.8	-25.3	179.9	-71	179	180	-174.6	1.8	113.4	A962 V963 L964	A962-R966 WeakPolarHBondContact O-CG 3.47Å; A962-R966 PolarHBondContact O-N 2.94Å; V963-R966 PolarHBondContact O-N 2.66Å; L964-R966 VanDerWaalsContact C-N 3.33Å; L964-R966 PolarHBondContact O-N 3.12Å
967	S	86.9	Confident	89.3	Confident	35 Å²	35	65.6 Å²	65.6	25%	0.245	33%	0.327	C	S	.	.	S	Bend	trans	-76.5	151.1	-177.6	-61	0	0	0	0	111.5	V963 S971	V963-S967 VanDerWaalsContact O-CB 3.27Å; V963-S967 WeakPolarHBondContact O-CB 3.06Å; V963-S967 PolarHBondContact O-N 2.79Å; V963-S967 PolarHBondContact O-OG 3.19Å; S967-S971 VanDerWaalsContact CB-OG 3.31Å; S967-S971 WeakPolarHBondContact CB-OG 3.35Å
968	K	83.3	Confident	89.1	Confident	177 Å²	177	68.6 Å²	68.6	77%	0.77	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-64	148.7	173.7	-67.7	-175.8	-179.7	-179.2	0	110.3	G970 S971	K968-G970 PolarHBondContact O-N 3.35Å; K968-S971 WeakPolarHBondContact O-CB 3.49Å; K968-S971 PolarHBondContact O-N 2.97Å
969	P	80.1	Confident	88.8	Confident	117 Å²	117	67.2 Å²	67.2	76%	0.76	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	129.8	170.6	-26.3	34.3	0	0	0	111.2	E974	P969-E974 VanDerWaalsContact CA-OE2 3.3Å; P969-E974 WeakPolarHBondContact CA-OE2 3.31Å
970	G	82.5	Confident	88.5	Confident	33 Å²	33	67.4 Å²	67.4	34%	0.34	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	13.4	-176.7	0	0	0	0	0	115.2	K968 E974 R975	K968-G970 PolarHBondContact O-N 3.35Å; G970-E974 PolarHBondContact N-OE2 3.32Å; G970-R975 PolarHBondContact O-NE 3.06Å
971	S	87.9	Confident	88.3	Confident	24 Å²	24	70.1 Å²	70.1	17%	0.168	34%	0.34	C	S	.	.			trans	-60	160.3	172.5	67.1	0	0	0	0	113.2	S967 K968 V973 E974 R975	S967-S971 VanDerWaalsContact CB-OG 3.31Å; S967-S971 WeakPolarHBondContact CB-OG 3.35Å; K968-S971 WeakPolarHBondContact O-CB 3.49Å; K968-S971 PolarHBondContact O-N 2.97Å; S971-V973 VanDerWaalsContact C-N 3.3Å; S971-V973 PolarHBondContact O-N 3.06Å; S971-E974 PolarHBondContact O-N 2.78Å; S971-E974 VanDerWaalsContact O-N 3.16Å; S971-E974 PolarHBondContact OG-N 3.2Å; S971-R975 WeakPolarHBondContact O-CG 3.3Å; S971-R975 PolarHBondContact O-N 2.97Å
972	F	88.6	Confident	88	Confident	159 Å²	159	74 Å²	74	70%	0.697	36%	0.359	S	S	*	.	H	α-helix	trans	-54.7	-45.8	177.3	178.4	-100.2	0	0	0	112	E974 R975 E976	F972-E974 VanDerWaalsContact C-N 3.3Å; F972-E974 PolarHBondContact O-N 2.84Å; F972-R975 PolarHBondContact O-N 3.2Å; F972-E976 HydrophobicContact CD1-CG 4.39Å; F972-E976 HydrophobicContact CD2-CG 4.01Å; F972-E976 HydrophobicContact CE1-CG 4.04Å; F972-E976 HydrophobicContact CE2-CG 3.62Å; F972-E976 HydrophobicContact CG-CG 4.39Å; F972-E976 HydrophobicContact CZ-CG 3.64Å; F972-E976 WeakPolarHBondContact O-CG 3.45Å; F972-E976 PolarHBondContact O-N 3.2Å
973	V	87.9	Confident	87.8	Confident	38 Å²	38	76.7 Å²	76.7	23%	0.23	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-37.6	-179.8	-173.3	0	0	0	0	111.7	R960 V963 L964 S971 T977	R960-V973 HydrophobicContact CG-CG1 4.19Å; V963-V973 HydrophobicContact CG1-CB 4.38Å; V963-V973 HydrophobicContact CG1-CG1 4.44Å; V963-V973 HydrophobicContact CG1-CG2 3.83Å; L964-V973 HydrophobicContact CD2-CB 4.07Å; L964-V973 HydrophobicContact CD2-CG1 3.7Å; L964-V973 HydrophobicContact CG-CG1 3.86Å; S971-V973 VanDerWaalsContact C-N 3.3Å; S971-V973 PolarHBondContact O-N 3.06Å; V973-T977 HydrophobicContact CG1-CG2 4.45Å; V973-T977 WeakPolarHBondContact O-CB 3.25Å; V973-T977 PolarHBondContact O-N 3.11Å; V973-T977 PolarHBondContact O-OG1 3.22Å
974	E	87.5	Confident	87.5	Confident	33 Å²	33	77.3 Å²	77.3	15%	0.154	36%	0.364	C	S	.	.	H	α-helix	trans	-71	-38.8	176.5	-172.1	170.4	-142.8	0	0	112.1	R896 L964 P969 G970 S971 F972 E976 Y978	R896-E974 IonicContact NH1-OE1 2.83Å; R896-E974 PolarHBondContact NH1-OE1 3.15Å; L964-E974 HydrophobicContact CD2-CB 3.75Å; L964-E974 HydrophobicContact CD2-CG 4.39Å; P969-E974 VanDerWaalsContact CA-OE2 3.3Å; P969-E974 WeakPolarHBondContact CA-OE2 3.31Å; G970-E974 PolarHBondContact N-OE2 3.32Å; S971-E974 PolarHBondContact O-N 2.78Å; S971-E974 VanDerWaalsContact O-N 3.16Å; S971-E974 PolarHBondContact OG-N 3.2Å; F972-E974 VanDerWaalsContact C-N 3.3Å; F972-E974 PolarHBondContact O-N 2.84Å; E974-E976 PolarHBondContact O-N 3.31Å; E974-Y978 HydrophobicContact CG-CD1 4.19Å; E974-Y978 HydrophobicContact CG-CG 4.39Å; E974-Y978 VanDerWaalsContact O-CB 3.3Å; E974-Y978 WeakPolarHBondContact O-CB 2.77Å; E974-Y978 PolarHBondContact O-N 3.12Å
975	R	86.9	Confident	87.2	Confident	158 Å²	158	82.4 Å²	82.4	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-68.3	-33.2	177.9	-69.6	-179.6	-171.8	-161.9	-2.1	113.3	R803 G970 S971 F972	R803-R975 VanDerWaalsContact CD-O 3.29Å; R803-R975 WeakPolarHBondContact CD-O 3.35Å; R803-R975 PolarHBondContact NE-O 3.49Å; G970-R975 PolarHBondContact O-NE 3.06Å; S971-R975 WeakPolarHBondContact O-CG 3.3Å; S971-R975 PolarHBondContact O-N 2.97Å; F972-R975 PolarHBondContact O-N 3.2Å
976	E	88.5	Confident	87	Confident	87 Å²	87	83.1 Å²	83.1	41%	0.407	40%	0.396	S	S	.	.	H	α-helix	trans	-94.5	-37.4	-176.1	-63.5	-56.5	139.4	0	0	112.9	F972 E974	F972-E976 HydrophobicContact CD1-CG 4.39Å; F972-E976 HydrophobicContact CD2-CG 4.01Å; F972-E976 HydrophobicContact CE1-CG 4.04Å; F972-E976 HydrophobicContact CE2-CG 3.62Å; F972-E976 HydrophobicContact CG-CG 4.39Å; F972-E976 HydrophobicContact CZ-CG 3.64Å; F972-E976 WeakPolarHBondContact O-CG 3.45Å; F972-E976 PolarHBondContact O-N 3.2Å; E974-E976 PolarHBondContact O-N 3.31Å
977	T	88.1	Confident	86.7	Confident	12 Å²	12	72.3 Å²	72.3	7%	0.074	36%	0.362	C	S	.	.	H	α-helix	trans	-117.1	-12	-166.9	77.5	0	0	0	0	115.5	M811 R960 V973 Y979	M811-T977 HydrophobicContact CE-CG2 4.09Å; R960-T977 PolarHBondContact NH1-O 3.02Å; R960-T977 PolarHBondContact NH1-OG1 2.82Å; V973-T977 HydrophobicContact CG1-CG2 4.45Å; V973-T977 WeakPolarHBondContact O-CB 3.25Å; V973-T977 PolarHBondContact O-N 3.11Å; V973-T977 PolarHBondContact O-OG1 3.22Å; T977-Y979 PolarHBondContact O-N 2.86Å
978	Y	90.4	Very high	86.7	Confident	62 Å²	62	75.4 Å²	75.4	24%	0.243	37%	0.372	C	S	.	.			trans	-86.6	92.5	177.4	-174.6	-119	0	0	0	109.7	R803 R895 R896 E974	R803-Y978 WeakPolarHBondContact CD-O 3.46Å; R803-Y978 PolarHBondContact NH1-O 2.86Å; R895-Y978 HydrophobicContact CB-CE2 3.96Å; R896-Y978 HydrophobicContact CB-CE2 3.95Å; E974-Y978 HydrophobicContact CG-CD1 4.19Å; E974-Y978 HydrophobicContact CG-CG 4.39Å; E974-Y978 VanDerWaalsContact O-CB 3.3Å; E974-Y978 WeakPolarHBondContact O-CB 2.77Å; E974-Y978 PolarHBondContact O-N 3.12Å
979	Y	89.3	Confident	87	Confident	5 Å²	5	66.2 Å²	66.2	2%	0.02	34%	0.335	C	S	.	.			trans	-77.2	0	178.5	57.3	-88.3	0	0	0	112.4	K728 A732 N801 L804 F807 R895 T977	K728-Y979 PolarHBondContact NZ-OXT 3.2Å; A732-Y979 HydrophobicContact CB-CE2 3.9Å; N801-Y979 PolarHBondContact ND2-OXT 3.01Å; N801-Y979 VanDerWaalsContact ND2-OXT 3.12Å; L804-Y979 HydrophobicContact CB-CG 4.34Å; L804-Y979 HydrophobicContact CD1-CD2 3.97Å; L804-Y979 HydrophobicContact CG-CD2 4.1Å; L804-Y979 HydrophobicContact CG-CG 4.28Å; F807-Y979 HydrophobicContact CB-CD1 4.36Å; F807-Y979 AromaticContact CD1-CD1 3.92Å; F807-Y979 HydrophobicContact CD1-CD1 3.92Å; F807-Y979 AromaticContact CD1-CE1 3.48Å; F807-Y979 HydrophobicContact CD1-CE1 3.48Å; F807-Y979 VanDerWaalsContact CD1-CE1 3.48Å; F807-Y979 HydrophobicContact CE1-CD1 4.48Å; F807-Y979 AromaticContact CE1-CE1 3.61Å; F807-Y979 HydrophobicContact CE1-CE1 3.61Å; F807-Y979 HydrophobicContact CG-CD1 4.14Å; F807-Y979 HydrophobicContact CG-CE1 4.04Å; F807-Y979 HydrophobicContact CZ-CE1 4.26Å; R895-Y979 HydrophobicContact CG-CD2 4.22Å; R895-Y979 HydrophobicContact CG-CE2 3.62Å; R895-Y979 PolarHBondContact NE-O 2.96Å; R895-Y979 PolarHBondContact NH2-O 3.08Å; R895-Y979 PolarHBondContact NH2-OXT 2.85Å; T977-Y979 PolarHBondContact O-N 2.86Å

Retrieved 979 of 979 residues in 2945.9 ms (Link to these results)

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