A0A077YWI4_TRITR Loading...

C2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YWI4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 820 aa.

						>A0A077YWI4_TRITR|A0A077YWI4
MNVGDDLSALERLLYGDVEGDAELEAELRSLEVEATEDDGAAAEKTAGRSVAAADGNGAVPAAAAVVVVLAPNEQDDEADDSVDNDEQLVSELVSLIDDGNEAPVSNVTCSNGGMRISLSEVEERIQNYNEAAKEAEASENFGKLRRVQRGLAELRKIHQLLRTNCDATFEFVPPKVAVRSGGSSTAVDHCLKVSDLQPVTEDAPSPLAVASGTIVDAMQNADTVEQMSQEAVDTEAKQIVASSAKAELLADALLGENTPVSSKAAATGKEKNCSTVAVEEELCEEPAKMDCAGENISLSNEVAQNERREQRHALEGAADERPVVGMIGDAGRLSVCTKKKIECEERNKTTVNANDMVKDLEARMAVYKAAAEAAQVASNSSKVRRMERIVKQYQTVIGAINSGKAYHLSDLPVPPGFEPFSSSSSEVVESKPSSSQDVPQSMTPGQAYRYRERTSPGPKPSDFGISACCSASATKVYRDGKQLQMMTIRLDQYKQAVLKARDEGKLAEAKELLRSIVLIKRLIRAFNSGAAVDLSLLPKAPPTNGSYIVRSSPSAPQLPSAAAAAGEADKKPLVTTNRDDIYSSLLKDLITQIQICDLNIEFAKRTGDTSQCKFFENLRLTCKGDLIFVRRAQKLEDPPPKFRYESWSFPSLKSFPHISGTEMEVHVCRAVDVQLPTGYESKHADLFVLLEFPYPRDRPQVAKTSSVKGTTSPVFGHVHKFVINPASRVMLLMMKRHGVKFELYQKGSLFRSGKLLGSAELKLCELESECEIEETLTLVANKKVVTGKLIVKALIREPLLHKSANVFRQWLIIDQGGEQ
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	54.4	Low	237 Å²	237	82.3 Å²	82.3	100%	1.167	47%	0.472	S	S	*	.				0	124.7	0	-69.4	170.1	175.8	0	0	105.7	V3	M1-V3 PolarHBondContact O-N 3.16Å
2	N	40	Very low	55.7	Low	106 Å²	106	87.2 Å²	87.2	57%	0.567	48%	0.477	S	S	*	.			trans	-94	88.7	-160.4	-158.2	28.7	0	0	0	110.7	G4 D5	N2-G4 PolarHBondContact O-N 3.27Å; N2-G4 VanDerWaalsContact O-N 3.09Å; N2-D5 VanDerWaalsContact CB-OD2 3.29Å; N2-D5 WeakPolarHBondContact CB-OD2 3.34Å; N2-D5 PolarHBondContact ND2-OD1 3.48Å; N2-D5 PolarHBondContact ND2-OD2 3.47Å; N2-D5 PolarHBondContact O-N 3.42Å
3	V	46.3	Very low	56.8	Low	77 Å²	77	92.1 Å²	92.1	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-21.1	-170.5	-174.7	0	0	0	0	112.7	M1 L7	M1-V3 PolarHBondContact O-N 3.16Å; V3-L7 PolarHBondContact O-N 3.18Å
4	G	45.5	Very low	57	Low	33 Å²	33	91.9 Å²	91.9	34%	0.34	50%	0.498	S	S	.	.	H	α-helix	trans	-68.9	-31	172.8	0	0	0	0	0	114.2	N2 S8	N2-G4 PolarHBondContact O-N 3.27Å; N2-G4 VanDerWaalsContact O-N 3.09Å; G4-S8 WeakPolarHBondContact O-CB 3.33Å; G4-S8 PolarHBondContact O-N 2.99Å; G4-S8 PolarHBondContact O-OG 2.66Å
5	D	55.9	Low	57.4	Low	98 Å²	98	89.3 Å²	89.3	52%	0.524	48%	0.479	S	S	.	.	H	α-helix	trans	-72.2	-46.9	-179.6	-61.1	-17.7	0	0	0	110.1	N2 L7 S8 A9	N2-D5 VanDerWaalsContact CB-OD2 3.29Å; N2-D5 WeakPolarHBondContact CB-OD2 3.34Å; N2-D5 PolarHBondContact ND2-OD1 3.48Å; N2-D5 PolarHBondContact ND2-OD2 3.47Å; N2-D5 PolarHBondContact O-N 3.42Å; D5-L7 VanDerWaalsContact C-N 3.28Å; D5-L7 PolarHBondContact O-N 3.33Å; D5-S8 PolarHBondContact O-N 3.45Å; D5-A9 WeakPolarHBondContact O-CB 3.32Å; D5-A9 PolarHBondContact O-N 3.33Å
6	D	60.7	Low	57.8	Low	121 Å²	121	85.8 Å²	85.8	65%	0.647	47%	0.471	S	S	*	.	H	α-helix	trans	-57.5	-40.7	175.1	-69.9	-28.3	0	0	0	111.7	L10	D6-L10 WeakPolarHBondContact O-CB 3.41Å; D6-L10 PolarHBondContact O-N 2.96Å
7	L	59.6	Low	58.4	Low	28 Å²	28	85.3 Å²	85.3	15%	0.147	47%	0.468	C	S	.	.	H	α-helix	trans	-72.4	-36.2	179.7	-158.9	75.7	0	0	0	112.3	V3 D5 L10 E11 L587 K588 I591	V3-L7 PolarHBondContact O-N 3.18Å; D5-L7 VanDerWaalsContact C-N 3.28Å; D5-L7 PolarHBondContact O-N 3.33Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-E11 PolarHBondContact O-N 3.28Å; L7-L587 HydrophobicContact CD2-CB 4.05Å; L7-K588 HydrophobicContact CD1-CG 3.91Å; L7-K588 HydrophobicContact CD2-CG 4.17Å; L7-I591 HydrophobicContact CD1-CD1 4.42Å; L7-I591 HydrophobicContact CD2-CD1 4.24Å; L7-I591 HydrophobicContact CG-CD1 4.18Å
8	S	63.1	Low	58.6	Low	44 Å²	44	82 Å²	82	31%	0.308	45%	0.45	S	S	.	.	H	α-helix	trans	-71.9	-34.4	176.2	-54.7	0	0	0	0	111.9	G4 D5 R12	G4-S8 WeakPolarHBondContact O-CB 3.33Å; G4-S8 PolarHBondContact O-N 2.99Å; G4-S8 PolarHBondContact O-OG 2.66Å; D5-S8 PolarHBondContact O-N 3.45Å; S8-R12 WeakPolarHBondContact O-CG 3.39Å; S8-R12 PolarHBondContact O-N 3.02Å
9	A	67.5	Low	58.8	Low	63 Å²	63	83.1 Å²	83.1	52%	0.521	45%	0.452	S	S	.	.	H	α-helix	trans	-67.7	-42.7	171.9	0	0	0	0	0	111.4	D5 R12 L13	D5-A9 WeakPolarHBondContact O-CB 3.32Å; D5-A9 PolarHBondContact O-N 3.33Å; A9-R12 PolarHBondContact O-N 3.05Å; A9-L13 WeakPolarHBondContact O-CB 3.39Å; A9-L13 PolarHBondContact O-N 3.2Å
10	L	62.9	Low	58.9	Low	79 Å²	79	81.6 Å²	81.6	41%	0.414	46%	0.456	S	S	.	.	H	α-helix	trans	-60.8	-43.8	175	-173.8	72.3	0	0	0	111.7	D6 L7 L13 L14	D6-L10 WeakPolarHBondContact O-CB 3.41Å; D6-L10 PolarHBondContact O-N 2.96Å; L7-L10 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.38Å; L10-L14 HydrophobicContact CD1-CD1 3.73Å; L10-L14 HydrophobicContact CG-CD1 3.84Å; L10-L14 WeakPolarHBondContact O-CD1 3.31Å; L10-L14 PolarHBondContact O-N 3.3Å
11	E	61.1	Low	59.4	Low	19 Å²	19	80.6 Å²	80.6	9%	0.089	45%	0.45	C	S	.	.	H	α-helix	trans	-60.9	-51.9	174.9	175.8	174.2	-117.5	0	0	111.9	L7 L13 L14 Y15 V18 L627 R631	L7-E11 PolarHBondContact O-N 3.28Å; E11-L13 PolarHBondContact O-N 3.34Å; E11-L13 VanDerWaalsContact O-N 3.16Å; E11-L14 PolarHBondContact O-N 3.48Å; E11-Y15 HydrophobicContact CG-CD2 4.3Å; E11-Y15 PolarHBondContact O-N 3.34Å; E11-V18 HydrophobicContact CG-CG2 4.36Å; E11-L627 WeakPolarHBondContact OE1-CD2 3.36Å; E11-R631 IonicContact OE1-CZ 2.62Å; E11-R631 IonicContact OE1-NH1 2.76Å; E11-R631 PolarHBondContact OE1-NH1 3.18Å; E11-R631 IonicContact OE1-NH2 2.68Å; E11-R631 PolarHBondContact OE1-NH2 3.13Å; E11-R631 IonicContact OE2-CZ 3.18Å; E11-R631 IonicContact OE2-NE 2.67Å; E11-R631 IonicContact OE2-NH1 2.66Å; E11-R631 PolarHBondContact OE2-NH1 3.48Å; E11-R631 IonicContact OE2-NH2 2.67Å; E11-R631 PolarHBondContact OE2-NH2 2.77Å
12	R	70.5	Confident	61.3	Low	141 Å²	141	73 Å²	73	53%	0.532	43%	0.425	S	S	.	.	H	α-helix	trans	-58.9	-30.7	-179.5	-76.5	-179.8	172.4	123.9	3.3	113.1	S8 A9 G16 D17	S8-R12 WeakPolarHBondContact O-CG 3.39Å; S8-R12 PolarHBondContact O-N 3.02Å; A9-R12 PolarHBondContact O-N 3.05Å; R12-G16 WeakPolarHBondContact CA-O 3.44Å; R12-G16 WeakPolarHBondContact O-CA 3.3Å; R12-G16 PolarHBondContact O-N 3.03Å; R12-D17 IonicContact CZ-OD1 3.48Å; R12-D17 IonicContact NE-OD1 2.69Å; R12-D17 PolarHBondContact NE-OD1 3.23Å; R12-D17 IonicContact NH2-OD1 3.74Å; R12-D17 PolarHBondContact NH2-OD1 3.06Å; R12-D17 IonicContact NH2-OD2 3.7Å
13	L	70.3	Confident	63	Low	151 Å²	151	75.4 Å²	75.4	79%	0.791	43%	0.433	S	S	*	.	H	α-helix	trans	-72.1	-29.7	175.2	-167	74.2	0	0	0	113.6	A9 L10 E11	A9-L13 WeakPolarHBondContact O-CB 3.39Å; A9-L13 PolarHBondContact O-N 3.2Å; L10-L13 PolarHBondContact O-N 3.38Å; E11-L13 PolarHBondContact O-N 3.34Å; E11-L13 VanDerWaalsContact O-N 3.16Å
14	L	58.8	Low	64	Low	89 Å²	89	73.3 Å²	73.3	47%	0.466	42%	0.419	S	S	.	.	H	α-helix	trans	-103.9	-27.8	-173.9	-90.3	138.4	0	0	0	114.5	L10 E11	L10-L14 HydrophobicContact CD1-CD1 3.73Å; L10-L14 HydrophobicContact CG-CD1 3.84Å; L10-L14 WeakPolarHBondContact O-CD1 3.31Å; L10-L14 PolarHBondContact O-N 3.3Å; E11-L14 PolarHBondContact O-N 3.48Å
15	Y	62.9	Low	65.4	Low	53 Å²	53	76.3 Å²	76.3	21%	0.208	42%	0.424	C	S	.	.	H	α-helix	trans	-133	-1.4	-169.9	-65.2	-64.3	0	0	0	114.3	E11 I591 I594 Q595 D598	E11-Y15 HydrophobicContact CG-CD2 4.3Å; E11-Y15 PolarHBondContact O-N 3.34Å; Y15-I591 HydrophobicContact CE2-CG2 4.46Å; Y15-I594 HydrophobicContact CE1-CG2 3.85Å; Y15-I594 WeakPolarHBondContact OH-CG2 3.38Å; Y15-Q595 WeakPolarHBondContact OH-CG 3.47Å; Y15-D598 PolarHBondContact OH-OD2 2.77Å
16	G	64.7	Low	66.3	Low	34 Å²	34	74 Å²	74	35%	0.351	42%	0.419	S	S	.	.			trans	73.2	-171.1	-171.7	0	0	0	0	0	113	R12 V18	R12-G16 WeakPolarHBondContact CA-O 3.44Å; R12-G16 WeakPolarHBondContact O-CA 3.3Å; R12-G16 PolarHBondContact O-N 3.03Å; G16-V18 PolarHBondContact O-N 3.46Å
17	D	67	Low	67	Low	77 Å²	77	74 Å²	74	41%	0.412	42%	0.415	S	S	.	.			trans	-85.9	84.4	179.9	-162.2	33.6	0	0	0	110.6	R12 E19 G20 D21	R12-D17 IonicContact CZ-OD1 3.48Å; R12-D17 IonicContact NE-OD1 2.69Å; R12-D17 PolarHBondContact NE-OD1 3.23Å; R12-D17 IonicContact NH2-OD1 3.74Å; R12-D17 PolarHBondContact NH2-OD1 3.06Å; R12-D17 IonicContact NH2-OD2 3.7Å; D17-E19 PolarHBondContact O-N 3.29Å; D17-E19 VanDerWaalsContact O-N 3.08Å; D17-G20 CarbonylContact O-C 3.56Å; D17-G20 WeakPolarHBondContact O-CA 3.44Å; D17-G20 PolarHBondContact O-N 3.46Å; D17-D21 PolarHBondContact O-N 3.33Å; D17-D21 VanDerWaalsContact O-N 3.1Å
18	V	62.6	Low	67.4	Low	26 Å²	26	77.4 Å²	77.4	16%	0.158	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21	-171.3	-169.8	0	0	0	0	113.7	E11 G16 L24 I628	E11-V18 HydrophobicContact CG-CG2 4.36Å; G16-V18 PolarHBondContact O-N 3.46Å; V18-L24 HydrophobicContact CG1-CD2 4.27Å; V18-I628 HydrophobicContact CG1-CD1 4.37Å
19	E	61.9	Low	67.9	Low	103 Å²	103	82.6 Å²	82.6	48%	0.481	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.5	172.3	-66.7	-168.8	174.4	0	0	114	D17 K635	D17-E19 PolarHBondContact O-N 3.29Å; D17-E19 VanDerWaalsContact O-N 3.08Å; E19-K635 IonicContact OE1-NZ 3.54Å; E19-K635 PolarHBondContact OE1-NZ 3.17Å; E19-K635 IonicContact OE2-NZ 2.83Å; E19-K635 PolarHBondContact OE2-NZ 2.73Å
20	G	61.9	Low	68.3	Low	52 Å²	52	83.1 Å²	83.1	54%	0.536	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	6.4	-179	0	0	0	0	0	114.4	D17 A22	D17-G20 CarbonylContact O-C 3.56Å; D17-G20 WeakPolarHBondContact O-CA 3.44Å; D17-G20 PolarHBondContact O-N 3.46Å; G20-A22 PolarHBondContact O-N 3.29Å; G20-A22 VanDerWaalsContact O-N 3.11Å
21	D	69.9	Low	68.3	Low	61 Å²	61	85 Å²	85	33%	0.326	46%	0.455	S	S	.	.			trans	-74.7	96.7	178.7	-171.7	-20.3	0	0	0	110.8	D17 E23 L24 E25	D17-D21 PolarHBondContact O-N 3.33Å; D17-D21 VanDerWaalsContact O-N 3.1Å; D21-E23 PolarHBondContact O-N 2.94Å; D21-E23 WeakPolarHBondContact OD1-CB 3.43Å; D21-E23 PolarHBondContact OD1-N 3.46Å; D21-L24 HydrophobicContact CB-CB 3.86Å; D21-L24 VanDerWaalsContact CG-CB 3.49Å; D21-L24 PolarHBondContact O-N 3.41Å; D21-L24 PolarHBondContact OD1-N 3.16Å; D21-E25 PolarHBondContact O-N 2.9Å
22	A	75.4	Confident	68.5	Low	78 Å²	78	87.5 Å²	87.5	65%	0.645	47%	0.467	S	S	*	.	H	α-helix	trans	-69.2	-18.6	-179.5	0	0	0	0	0	113.7	G20 A26	G20-A22 PolarHBondContact O-N 3.29Å; G20-A22 VanDerWaalsContact O-N 3.11Å; A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.47Å
23	E	73.9	Confident	67.8	Low	156 Å²	156	84.3 Å²	84.3	73%	0.729	46%	0.463	S	S	*	.	H	α-helix	trans	-79.7	-44.7	175.4	-166.3	162.7	-152.6	0	0	109.3	D21 E25 A26 E27	D21-E23 PolarHBondContact O-N 2.94Å; D21-E23 WeakPolarHBondContact OD1-CB 3.43Å; D21-E23 PolarHBondContact OD1-N 3.46Å; E23-E25 PolarHBondContact O-N 3.37Å; E23-A26 WeakPolarHBondContact O-CB 3.34Å; E23-A26 PolarHBondContact O-N 3.19Å; E23-E27 PolarHBondContact O-N 3.49Å
24	L	68.7	Low	67.1	Low	34 Å²	34	84.5 Å²	84.5	18%	0.178	46%	0.459	C	S	.	.	H	α-helix	trans	-62.4	-38.5	172.3	-161.8	85.6	0	0	0	112.9	V18 D21 A26 L28	V18-L24 HydrophobicContact CG1-CD2 4.27Å; D21-L24 HydrophobicContact CB-CB 3.86Å; D21-L24 VanDerWaalsContact CG-CB 3.49Å; D21-L24 PolarHBondContact O-N 3.41Å; D21-L24 PolarHBondContact OD1-N 3.16Å; L24-A26 VanDerWaalsContact C-N 3.31Å; L24-L28 WeakPolarHBondContact O-CB 3.23Å; L24-L28 PolarHBondContact O-N 2.77Å; L24-L28 VanDerWaalsContact O-N 3.09Å
25	E	74.4	Confident	66.9	Low	96 Å²	96	84 Å²	84	45%	0.449	47%	0.468	S	S	.	.	H	α-helix	trans	-65.7	-32.4	171.4	-82.3	-153.4	-176.9	0	0	112.6	D21 E23 R29	D21-E25 PolarHBondContact O-N 2.9Å; E23-E25 PolarHBondContact O-N 3.37Å; E25-R29 VanDerWaalsContact O-CG 3.27Å; E25-R29 WeakPolarHBondContact O-CG 3.3Å; E25-R29 PolarHBondContact O-N 3.37Å; E25-R29 VanDerWaalsContact O-N 3.08Å; E25-R29 IonicContact OE2-CZ 3.66Å; E25-R29 IonicContact OE2-NE 3.1Å; E25-R29 IonicContact OE2-NH2 3.96Å; E25-R29 PolarHBondContact OE2-NH2 3.42Å
26	A	74.6	Confident	66.3	Low	49 Å²	49	86.5 Å²	86.5	41%	0.405	49%	0.489	S	S	.	.	H	α-helix	trans	-73.3	-40.4	177.8	0	0	0	0	0	112.1	A22 E23 L24 R29 S30	A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.47Å; E23-A26 WeakPolarHBondContact O-CB 3.34Å; E23-A26 PolarHBondContact O-N 3.19Å; L24-A26 VanDerWaalsContact C-N 3.31Å; A26-R29 PolarHBondContact O-N 2.86Å; A26-S30 WeakPolarHBondContact O-CB 3.32Å; A26-S30 PolarHBondContact O-N 2.9Å; A26-S30 PolarHBondContact O-OG 2.84Å
27	E	74.6	Confident	65.2	Low	122 Å²	122	92.8 Å²	92.8	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-59.6	-48	171.4	-71.6	-168.1	156.5	0	0	111	E23 R29 S30 L31	E23-E27 PolarHBondContact O-N 3.49Å; E27-R29 PolarHBondContact O-N 2.76Å; E27-S30 WeakPolarHBondContact O-CB 3.38Å; E27-S30 PolarHBondContact O-N 3.34Å; E27-L31 WeakPolarHBondContact O-CG 3.49Å; E27-L31 PolarHBondContact O-N 3.06Å
28	L	68.2	Low	64.1	Low	99 Å²	99	96.8 Å²	96.8	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-60.4	-42.7	178.8	-84.7	167.5	0	0	0	112.8	L24 L31 E32	L24-L28 WeakPolarHBondContact O-CB 3.23Å; L24-L28 PolarHBondContact O-N 2.77Å; L24-L28 VanDerWaalsContact O-N 3.09Å; L28-L31 PolarHBondContact O-N 3.32Å; L28-E32 PolarHBondContact O-N 3.41Å; L28-E32 VanDerWaalsContact O-N 3.07Å
29	R	73.8	Confident	63.2	Low	153 Å²	153	103.5 Å²	103.5	58%	0.577	57%	0.566	S	S	*	*	H	α-helix	trans	-68.9	-34.6	177	-69.9	176.5	-156.1	175.1	6.8	112.7	E25 A26 E27 L31 E32 V33	E25-R29 VanDerWaalsContact O-CG 3.27Å; E25-R29 WeakPolarHBondContact O-CG 3.3Å; E25-R29 PolarHBondContact O-N 3.37Å; E25-R29 VanDerWaalsContact O-N 3.08Å; E25-R29 IonicContact OE2-CZ 3.66Å; E25-R29 IonicContact OE2-NE 3.1Å; E25-R29 IonicContact OE2-NH2 3.96Å; E25-R29 PolarHBondContact OE2-NH2 3.42Å; A26-R29 PolarHBondContact O-N 2.86Å; E27-R29 PolarHBondContact O-N 2.76Å; R29-L31 VanDerWaalsContact C-N 3.33Å; R29-E32 PolarHBondContact O-N 3.09Å; R29-V33 WeakPolarHBondContact O-CG2 3.49Å; R29-V33 PolarHBondContact O-N 3.07Å; R29-V33 VanDerWaalsContact O-N 3.15Å
30	S	75.5	Confident	62	Low	74 Å²	74	102.6 Å²	102.6	52%	0.517	58%	0.584	S	S	.	*	H	α-helix	trans	-61.8	-44.4	175.5	-55.5	0	0	0	0	110.7	A26 E27 E32 V33 E34	A26-S30 WeakPolarHBondContact O-CB 3.32Å; A26-S30 PolarHBondContact O-N 2.9Å; A26-S30 PolarHBondContact O-OG 2.84Å; E27-S30 WeakPolarHBondContact O-CB 3.38Å; E27-S30 PolarHBondContact O-N 3.34Å; S30-E32 PolarHBondContact O-N 3.28Å; S30-V33 PolarHBondContact O-N 2.97Å; S30-E34 PolarHBondContact O-N 3.06Å
31	L	64.5	Low	60.7	Low	119 Å²	119	105 Å²	105	62%	0.623	60%	0.599	S	S	*	*	H	α-helix	trans	-68.7	-26.8	175.9	-67.6	170.3	0	0	0	113.9	E27 L28 R29	E27-L31 WeakPolarHBondContact O-CG 3.49Å; E27-L31 PolarHBondContact O-N 3.06Å; L28-L31 PolarHBondContact O-N 3.32Å; R29-L31 VanDerWaalsContact C-N 3.33Å
32	E	64.9	Low	59	Low	70 Å²	70	107.4 Å²	107.4	33%	0.327	63%	0.627	S	S	.	*	H	α-helix	trans	-73	-29.9	171.3	-75.9	-163.8	137.1	0	0	112.8	L28 R29 S30 A474 V477	L28-E32 PolarHBondContact O-N 3.41Å; L28-E32 VanDerWaalsContact O-N 3.07Å; R29-E32 PolarHBondContact O-N 3.09Å; S30-E32 PolarHBondContact O-N 3.28Å; E32-A474 WeakPolarHBondContact OE1-CA 3.48Å; E32-V477 HydrophobicContact CG-CG1 4.31Å
33	V	56.3	Low	57.2	Low	74 Å²	74	108.2 Å²	108.2	45%	0.448	63%	0.634	S	S	.	*	H	α-helix	trans	-72.7	-48.7	180	171.3	0	0	0	0	111.6	R29 S30 A35 T36 E37	R29-V33 WeakPolarHBondContact O-CG2 3.49Å; R29-V33 PolarHBondContact O-N 3.07Å; R29-V33 VanDerWaalsContact O-N 3.15Å; S30-V33 PolarHBondContact O-N 2.97Å; V33-A35 PolarHBondContact O-N 3.46Å; V33-A35 VanDerWaalsContact O-N 3.08Å; V33-T36 PolarHBondContact O-N 2.65Å; V33-T36 PolarHBondContact O-OG1 3.49Å; V33-E37 HydrophobicContact CG1-CG 4.38Å
34	E	55.4	Low	55.4	Low	155 Å²	155	108.4 Å²	108.4	72%	0.724	64%	0.635	S	S	*	*	H	α-helix	trans	-61.6	-20.7	179.9	-65.3	-164.8	152.3	0	0	113.2	S30 T36	S30-E34 PolarHBondContact O-N 3.06Å; E34-T36 PolarHBondContact O-N 2.95Å
35	A	53.4	Low	54	Low	78 Å²	78	117 Å²	117	65%	0.645	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	2.2	172.7	0	0	0	0	0	114.6	V33	V33-A35 PolarHBondContact O-N 3.46Å; V33-A35 VanDerWaalsContact O-N 3.08Å
36	T	50.4	Low	52.2	Low	107 Å²	107	117.5 Å²	117.5	66%	0.656	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.1	-7.6	-171.9	62	0	0	0	0	116.6	V33 E34	V33-T36 PolarHBondContact O-N 2.65Å; V33-T36 PolarHBondContact O-OG1 3.49Å; E34-T36 PolarHBondContact O-N 2.95Å
37	E	42.3	Very low	50.5	Low	166 Å²	166	120.4 Å²	120.4	78%	0.776	71%	0.705	S	S	*	*			trans	-103.4	58.8	-176.4	-61.9	-155.9	153.8	0	0	114.1	V33	V33-E37 HydrophobicContact CG1-CG 4.38Å
38	D	43.4	Very low	48.7	Very low	160 Å²	160	118.3 Å²	118.3	86%	0.856	72%	0.716	S	S	*	*			trans	-138.1	55.6	168.5	-160.2	9.7	0	0	0	112.6
39	D	43.7	Very low	47.3	Very low	168 Å²	168	124.6 Å²	124.6	90%	0.898	73%	0.733	S	S	*	*	S	Bend	trans	-154.2	103.7	166.6	-132.5	-23	0	0	0	109.6
40	G	36.9	Very low	45.6	Very low	83 Å²	83	122.1 Å²	122.1	86%	0.856	74%	0.739	S	S	*	*			trans	-90.5	139.6	-160.4	0	0	0	0	0	116.8
41	A	34	Very low	43.9	Very low	104 Å²	104	124.6 Å²	124.6	86%	0.86	75%	0.75	S	S	*	*			trans	-151.6	107.3	167.1	0	0	0	0	0	114.2
42	A	35.1	Very low	42.7	Very low	111 Å²	111	123.4 Å²	123.4	92%	0.917	76%	0.758	S	S	*	*			trans	-96.1	114.7	168.4	0	0	0	0	0	110.9
43	A	36.4	Very low	41.4	Very low	95 Å²	95	124.4 Å²	124.4	79%	0.785	78%	0.778	S	S	*	*			trans	-151.2	98.7	174.9	0	0	0	0	0	113.8
44	E	37.8	Very low	40.7	Very low	160 Å²	160	125.7 Å²	125.7	75%	0.748	80%	0.796	S	S	*	*			trans	-4.2	139.3	152	-168.9	-173.4	166.7	0	0	119.6	T46	E44-T46 HydrophobicContact CG-CG2 4.09Å; E44-T46 WeakPolarHBondContact OE1-CG2 3.37Å; E44-T46 PolarHBondContact OE1-OG1 3.24Å
45	K	38.4	Very low	40	Very low	214 Å²	214	126 Å²	126	93%	0.93	80%	0.803	S	S	*	*			trans	-142.3	124	154.1	-125.2	171.6	-171.8	169.6	0	112.5
46	T	37	Very low	39.5	Very low	106 Å²	106	125.5 Å²	125.5	65%	0.65	81%	0.806	S	S	*	*			trans	-117.9	160.6	-172.5	37.7	0	0	0	0	113.4	E44	E44-T46 HydrophobicContact CG-CG2 4.09Å; E44-T46 WeakPolarHBondContact OE1-CG2 3.37Å; E44-T46 PolarHBondContact OE1-OG1 3.24Å
47	A	37.8	Very low	39.1	Very low	111 Å²	111	128.6 Å²	128.6	92%	0.917	82%	0.818	S	S	*	*			trans	70	128.4	171.2	0	0	0	0	0	119.2
48	G	37.8	Very low	39	Very low	78 Å²	78	124.3 Å²	124.3	80%	0.804	82%	0.819	S	S	*	*			trans	-155.5	-20.3	-175.9	0	0	0	0	0	119.5
49	R	38.4	Very low	38.9	Very low	231 Å²	231	121 Å²	121	87%	0.872	81%	0.814	S	S	*	*			trans	69.4	104.2	159	-178.9	171.3	175.4	152.7	0.9	121.1
50	S	38.8	Very low	39.1	Very low	100 Å²	100	119.9 Å²	119.9	70%	0.699	81%	0.813	S	S	*	*			trans	70.4	162.7	141.7	73.6	0	0	0	0	119.5
51	V	39.7	Very low	39.6	Very low	126 Å²	126	121.7 Å²	121.7	76%	0.764	81%	0.81	S	S	*	*			cis	-148	136.2	16.1	-177.3	0	0	0	0	112
52	A	38.4	Very low	39.9	Very low	95 Å²	95	121.3 Å²	121.3	79%	0.785	81%	0.806	S	S	*	*			trans	52.7	171.5	154	0	0	0	0	0	122
53	A	38	Very low	40.1	Very low	90 Å²	90	120.8 Å²	120.8	74%	0.744	80%	0.802	S	S	*	*			cis	-174.6	163.2	-44.4	0	0	0	0	0	109.8
54	A	40.7	Very low	40.1	Very low	101 Å²	101	121.3 Å²	121.3	84%	0.835	81%	0.806	S	S	*	*			trans	66.6	151.2	165.2	0	0	0	0	0	117.7
55	D	41	Very low	39.8	Very low	161 Å²	161	118 Å²	118	86%	0.861	81%	0.806	S	S	*	*			cis	-168	173.8	-23.8	-158.5	-16.3	0	0	0	107.9
56	G	43.7	Very low	39.4	Very low	69 Å²	69	113.8 Å²	113.8	71%	0.711	80%	0.798	S	S	*	*			trans	118.5	107	157.5	0	0	0	0	0	118.9
57	N	41.9	Very low	39.2	Very low	171 Å²	171	115.1 Å²	115.1	91%	0.914	81%	0.806	S	S	*	*			trans	-72.2	153.4	-178	-62	-64.5	0	0	0	117.5
58	G	40.3	Very low	38.8	Very low	77 Å²	77	115.8 Å²	115.8	79%	0.794	80%	0.798	S	S	*	*			trans	127.5	150.1	141.3	0	0	0	0	0	117.6
59	A	41.5	Very low	38.5	Very low	91 Å²	91	117.2 Å²	117.2	75%	0.752	79%	0.791	S	S	*	*			cis	-165.7	130.7	-12.6	0	0	0	0	0	113.3
60	V	47.9	Very low	38.4	Very low	143 Å²	143	113.5 Å²	113.5	87%	0.867	79%	0.788	S	S	*	*			trans	60.5	159	159.5	-87.5	0	0	0	0	119.9
61	P	46.6	Very low	37.9	Very low	122 Å²	122	112.6 Å²	112.6	79%	0.792	79%	0.787	S	S	*	*			trans	-133.4	174.5	-130.5	44.9	-29.6	0	0	0	117.5
62	A	41	Very low	37.9	Very low	96 Å²	96	113 Å²	113	79%	0.793	79%	0.792	S	S	*	*			trans	-149.1	152.9	159.7	0	0	0	0	0	112
63	A	39.4	Very low	37.6	Very low	100 Å²	100	115.1 Å²	115.1	83%	0.826	79%	0.79	S	S	*	*			trans	43	94.4	165.2	0	0	0	0	0	118.4
64	A	35.3	Very low	37.6	Very low	105 Å²	105	119.1 Å²	119.1	87%	0.868	79%	0.793	S	S	*	*			trans	-78.8	119	164.5	0	0	0	0	0	111.1
65	A	32.4	Very low	37.5	Very low	90 Å²	90	121 Å²	121	74%	0.744	78%	0.784	S	S	*	*			trans	-135.8	61.9	169.7	0	0	0	0	0	109.9	V67	A65-V67 PolarHBondContact O-N 3.25Å
66	V	30.5	Very low	37.2	Very low	127 Å²	127	121.9 Å²	121.9	77%	0.77	79%	0.789	S	S	*	*			trans	-76.1	89.1	175.3	179.5	0	0	0	0	108.9	V68	V66-V68 VanDerWaalsContact C-N 3.26Å; V66-V68 HydrophobicContact CG1-CB 4.37Å; V66-V68 HydrophobicContact CG1-CG2 3.88Å; V66-V68 PolarHBondContact O-N 3.26Å
67	V	32.4	Very low	37.1	Very low	133 Å²	133	124 Å²	124	81%	0.806	78%	0.784	S	S	*	*			trans	-87.4	75.3	162.3	-174.3	0	0	0	0	108.2	A65	A65-V67 PolarHBondContact O-N 3.25Å
68	V	29.4	Very low	37.3	Very low	125 Å²	125	121.7 Å²	121.7	76%	0.758	77%	0.768	S	S	*	*			trans	-81.4	105.8	146.7	171.7	0	0	0	0	105.6	V66	V66-V68 VanDerWaalsContact C-N 3.26Å; V66-V68 HydrophobicContact CG1-CB 4.37Å; V66-V68 HydrophobicContact CG1-CG2 3.88Å; V66-V68 PolarHBondContact O-N 3.26Å
69	V	31.9	Very low	37.4	Very low	108 Å²	108	122.2 Å²	122.2	66%	0.655	77%	0.765	S	S	*	*			trans	-166.2	119	151.4	133.6	0	0	0	0	108.7
70	L	35.2	Very low	37.2	Very low	153 Å²	153	124.2 Å²	124.2	80%	0.801	76%	0.763	S	S	*	*			trans	39.9	114.4	146.6	-47.7	176.6	0	0	0	118.7
71	A	28.9	Very low	36.9	Very low	82 Å²	82	124.9 Å²	124.9	68%	0.678	76%	0.762	S	S	*	*			trans	-60.5	144.9	142.6	0	0	0	0	0	109.3	N73	A71-N73 PolarHBondContact O-N 3.16Å
72	P	39.1	Very low	36.7	Very low	135 Å²	135	122.6 Å²	122.6	88%	0.877	75%	0.748	S	S	*	*			trans	-76.2	71.1	173	33.2	-34.8	0	0	0	110.3
73	N	31.7	Very low	36.9	Very low	138 Å²	138	123.2 Å²	123.2	74%	0.738	74%	0.742	S	S	*	*			trans	-102	64.3	172.5	-162.1	96.1	0	0	0	109.8	A71	A71-N73 PolarHBondContact O-N 3.16Å
74	E	39.3	Very low	37.2	Very low	175 Å²	175	124.4 Å²	124.4	82%	0.818	74%	0.735	S	S	*	*			trans	-150.1	91	171	-83.4	-178.1	158.2	0	0	104.8
75	Q	37.7	Very low	38	Very low	139 Å²	139	126.4 Å²	126.4	65%	0.65	73%	0.731	S	S	*	*				72.7	80.6	65.5	-165.1	164.1	-2.6	0	0	112	D77	Q75-D77 VanDerWaalsContact CG-OD2 3.23Å; Q75-D77 WeakPolarHBondContact CG-OD2 3.43Å; Q75-D77 PolarHBondContact NE2-OD2 3.13Å; Q75-D77 PolarHBondContact O-N 2.94Å
76	D	35.2	Very low	39	Very low	180 Å²	180	124.6 Å²	124.6	96%	0.963	71%	0.708	S	S	*	*			trans	-79.8	62.4	175	-98.1	-33	0	0	0	111.5
77	D	40.9	Very low	40.4	Very low	114 Å²	114	123.3 Å²	123.3	61%	0.61	69%	0.694	S	S	*	*			trans	-86.5	120.1	164.6	-84.7	-56.2	0	0	0	110.8	Q75	Q75-D77 VanDerWaalsContact CG-OD2 3.23Å; Q75-D77 WeakPolarHBondContact CG-OD2 3.43Å; Q75-D77 PolarHBondContact NE2-OD2 3.13Å; Q75-D77 PolarHBondContact O-N 2.94Å
78	E	47.1	Very low	41.4	Very low	122 Å²	122	124 Å²	124	57%	0.57	69%	0.688	S	S	*	*			trans	-170.8	143.8	134.4	-85.6	-143	164	0	0	111	R389	E78-R389 IonicContact OE1-CZ 2.92Å; E78-R389 IonicContact OE1-NH1 2.99Å; E78-R389 PolarHBondContact OE1-NH1 2.97Å; E78-R389 IonicContact OE1-NH2 2.87Å; E78-R389 IonicContact OE2-CZ 3.2Å; E78-R389 IonicContact OE2-NH1 2.76Å; E78-R389 PolarHBondContact OE2-NH1 3.43Å; E78-R389 IonicContact OE2-NH2 2.86Å; E78-R389 PolarHBondContact OE2-NH2 3.25Å
79	A	42	Very low	42.6	Very low	88 Å²	88	122.7 Å²	122.7	73%	0.727	68%	0.677	S	S	*	*			trans	61.6	96.7	178.1	0	0	0	0	0	114.5
80	D	37.8	Very low	43.8	Very low	133 Å²	133	119.6 Å²	119.6	71%	0.711	66%	0.658	S	S	*	*			cis	47.5	82.9	31.5	-170.1	24.5	0	0	0	114.2	S82	D80-S82 WeakPolarHBondContact OD1-CB 3.39Å; D80-S82 PolarHBondContact OD1-N 3.19Å
81	D	40.5	Very low	44.9	Very low	158 Å²	158	115.6 Å²	115.6	85%	0.845	64%	0.643	S	S	*	*			trans	-116.5	77	142.1	-90.7	-51.8	0	0	0	106	V83	D81-V83 PolarHBondContact O-N 3.29Å; D81-V83 VanDerWaalsContact O-N 3.15Å
82	S	42.7	Very low	46.3	Very low	73 Å²	73	117 Å²	117	51%	0.51	64%	0.636	S	S	.	*			trans	-55.2	118.1	177.6	171.3	0	0	0	0	111.8	D80 D84	D80-S82 WeakPolarHBondContact OD1-CB 3.39Å; D80-S82 PolarHBondContact OD1-N 3.19Å; S82-D84 VanDerWaalsContact C-N 3.29Å; S82-D84 PolarHBondContact O-N 3.11Å; S82-D84 PolarHBondContact OG-N 3.1Å; S82-D84 PolarHBondContact OG-OD2 3.47Å
83	V	46.6	Very low	46.9	Very low	109 Å²	109	114.1 Å²	114.1	66%	0.661	61%	0.612	S	S	*	*			trans	-91.9	18.4	178	-67.5	0	0	0	0	112.9	D81	D81-V83 PolarHBondContact O-N 3.29Å; D81-V83 VanDerWaalsContact O-N 3.15Å
84	D	44.7	Very low	48.3	Very low	125 Å²	125	111.4 Å²	111.4	67%	0.668	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-85.5	-11.5	-173.4	-63.3	-69.7	0	0	0	113.8	S82 D86	S82-D84 VanDerWaalsContact C-N 3.29Å; S82-D84 PolarHBondContact O-N 3.11Å; S82-D84 PolarHBondContact OG-N 3.1Å; S82-D84 PolarHBondContact OG-OD2 3.47Å; D84-D86 PolarHBondContact O-N 2.94Å
85	N	51.5	Low	49.1	Very low	148 Å²	148	107.6 Å²	107.6	79%	0.791	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-76.8	12.8	-179.2	-123.9	-22.6	0	0	0	114.8	E87	N85-E87 PolarHBondContact O-N 2.86Å
86	D	53.6	Low	49.9	Very low	51 Å²	51	106.7 Å²	106.7	27%	0.273	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-61.3	-3.8	172.5	-96.5	-10.8	0	0	0	113.8	D84 Q88 L89 V90 K495	D84-D86 PolarHBondContact O-N 2.94Å; D86-Q88 VanDerWaalsContact C-N 3.25Å; D86-Q88 PolarHBondContact O-N 3.31Å; D86-L89 PolarHBondContact O-N 3.3Å; D86-L89 VanDerWaalsContact O-N 3.14Å; D86-V90 PolarHBondContact O-N 3.23Å; D86-K495 IonicContact OD2-NZ 3.32Å; D86-K495 PolarHBondContact OD2-NZ 3.08Å
87	E	60.1	Low	50.9	Low	101 Å²	101	102.4 Å²	102.4	47%	0.472	57%	0.568	S	S	.	*	H	α-helix	trans	-59.3	-33.4	-179.4	-72	-135.5	130.1	0	0	112.9	N85 V90 S91 R525	N85-E87 PolarHBondContact O-N 2.86Å; E87-V90 WeakPolarHBondContact O-CG2 3.5Å; E87-S91 WeakPolarHBondContact O-CB 3.44Å; E87-S91 PolarHBondContact O-N 3.49Å; E87-S91 PolarHBondContact O-OG 3.36Å; E87-R525 IonicContact OE1-NH2 2.66Å; E87-R525 PolarHBondContact OE1-NH2 3.36Å
88	Q	54	Low	51.1	Low	146 Å²	146	104 Å²	104	68%	0.682	58%	0.577	S	S	*	*	H	α-helix	trans	-70.6	-38.5	175.6	-166.8	165	-9.5	0	0	112	D86 S91 E92	D86-Q88 VanDerWaalsContact C-N 3.25Å; D86-Q88 PolarHBondContact O-N 3.31Å; Q88-S91 WeakPolarHBondContact O-CB 3.41Å; Q88-S91 PolarHBondContact O-N 2.96Å; Q88-E92 PolarHBondContact O-N 2.92Å
89	L	54	Low	50.7	Low	99 Å²	99	105.2 Å²	105.2	52%	0.518	59%	0.587	S	S	.	*	H	α-helix	trans	-67	-39.4	176.2	-93.9	168.4	0	0	0	113	D86 S91 L93	D86-L89 PolarHBondContact O-N 3.3Å; D86-L89 VanDerWaalsContact O-N 3.14Å; L89-S91 VanDerWaalsContact C-N 3.33Å; L89-L93 PolarHBondContact O-N 3.02Å; L89-L93 VanDerWaalsContact O-N 3.14Å
90	V	56.9	Low	50.5	Low	42 Å²	42	104.3 Å²	104.3	26%	0.255	59%	0.587	S	S	.	*	H	α-helix	trans	-73.4	-26.1	172.7	-64.4	0	0	0	0	112.5	D86 E87 V94	D86-V90 PolarHBondContact O-N 3.23Å; E87-V90 WeakPolarHBondContact O-CG2 3.5Å; V90-V94 WeakPolarHBondContact O-CB 3.46Å; V90-V94 VanDerWaalsContact O-CG2 3.23Å; V90-V94 WeakPolarHBondContact O-CG2 3.49Å; V90-V94 PolarHBondContact O-N 3.47Å
91	S	57.8	Low	50.4	Low	69 Å²	69	105.9 Å²	105.9	48%	0.483	60%	0.595	S	S	.	*	H	α-helix	trans	-67.2	-49.6	173.5	-61.8	0	0	0	0	111.4	E87 Q88 L89 L93 V94 S95	E87-S91 WeakPolarHBondContact O-CB 3.44Å; E87-S91 PolarHBondContact O-N 3.49Å; E87-S91 PolarHBondContact O-OG 3.36Å; Q88-S91 WeakPolarHBondContact O-CB 3.41Å; Q88-S91 PolarHBondContact O-N 2.96Å; L89-S91 VanDerWaalsContact C-N 3.33Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-L93 PolarHBondContact O-N 3.39Å; S91-V94 PolarHBondContact O-N 3Å; S91-V94 VanDerWaalsContact O-N 3.17Å; S91-S95 PolarHBondContact O-N 3.39Å; S91-S95 PolarHBondContact O-OG 3.25Å
92	E	60.2	Low	50.3	Low	113 Å²	113	106.8 Å²	106.8	53%	0.528	59%	0.594	S	S	.	*	H	α-helix	trans	-61.1	-39.2	175.3	-70.8	-173.6	166.1	0	0	112.3	Q88 S95 L96	Q88-E92 PolarHBondContact O-N 2.92Å; E92-S95 PolarHBondContact O-N 3.24Å; E92-L96 PolarHBondContact O-N 3.06Å
93	L	51.5	Low	50	Low	74 Å²	74	107.8 Å²	107.8	39%	0.387	61%	0.607	S	S	.	*	H	α-helix	trans	-70.5	-28.4	175.8	-101.7	69.2	0	0	0	113.8	L89 S91 L96 L514	L89-L93 PolarHBondContact O-N 3.02Å; L89-L93 VanDerWaalsContact O-N 3.14Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-L93 PolarHBondContact O-N 3.39Å; L93-L96 PolarHBondContact O-N 3.04Å; L93-L514 HydrophobicContact CD2-CD1 3.93Å; L93-L514 HydrophobicContact CD2-CD2 3.93Å
94	V	60.9	Low	49.6	Very low	80 Å²	80	108.3 Å²	108.3	49%	0.485	61%	0.613	S	S	.	*	H	α-helix	trans	-71.6	-37.7	172.3	163.3	0	0	0	0	110.8	V90 S91 L96 I97	V90-V94 WeakPolarHBondContact O-CB 3.46Å; V90-V94 VanDerWaalsContact O-CG2 3.23Å; V90-V94 WeakPolarHBondContact O-CG2 3.49Å; V90-V94 PolarHBondContact O-N 3.47Å; S91-V94 PolarHBondContact O-N 3Å; S91-V94 VanDerWaalsContact O-N 3.17Å; V94-L96 PolarHBondContact O-N 2.97Å; V94-I97 WeakPolarHBondContact O-CB 3.39Å; V94-I97 PolarHBondContact O-N 3.25Å; V94-I97 VanDerWaalsContact O-N 3.17Å
95	S	56.2	Low	49.1	Very low	96 Å²	96	109 Å²	109	67%	0.671	62%	0.621	S	S	*	*	H	α-helix	trans	-61.6	-20.4	172.6	-57.4	0	0	0	0	113.8	S91 E92 I97	S91-S95 PolarHBondContact O-N 3.39Å; S91-S95 PolarHBondContact O-OG 3.25Å; E92-S95 PolarHBondContact O-N 3.24Å; S95-I97 VanDerWaalsContact C-N 3.32Å
96	L	53.3	Low	48.4	Very low	119 Å²	119	107 Å²	107	62%	0.623	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	22.4	176.5	-72	164.8	0	0	0	113.9	E92 L93 V94	E92-L96 PolarHBondContact O-N 3.06Å; L93-L96 PolarHBondContact O-N 3.04Å; V94-L96 PolarHBondContact O-N 2.97Å
97	I	56.6	Low	47.5	Very low	91 Å²	91	111.8 Å²	111.8	47%	0.467	64%	0.644	S	S	.	*	S	Bend	trans	-113.3	-24.2	177.1	-63.4	176.4	0	0	0	112.6	V94 S95 D99	V94-I97 WeakPolarHBondContact O-CB 3.39Å; V94-I97 PolarHBondContact O-N 3.25Å; V94-I97 VanDerWaalsContact O-N 3.17Å; S95-I97 VanDerWaalsContact C-N 3.32Å; I97-D99 PolarHBondContact O-N 3.45Å
98	D	45.9	Very low	46.2	Very low	148 Å²	148	113.8 Å²	113.8	79%	0.791	66%	0.663	S	S	*	*			trans	-88.7	66.7	176.1	-83.3	-45.3	0	0	0	112.7	G100	D98-G100 VanDerWaalsContact C-N 3.26Å; D98-G100 PolarHBondContact O-N 3.42Å
99	D	37.4	Very low	45.1	Very low	146 Å²	146	113 Å²	113	78%	0.781	67%	0.668	S	S	*	*			trans	-68.8	77.4	168.1	-73.1	-55.6	0	0	0	110.2	I97 K511	I97-D99 PolarHBondContact O-N 3.45Å; D99-K511 IonicContact OD2-NZ 2.72Å
100	G	37.2	Very low	43.9	Very low	70 Å²	70	113.2 Å²	113.2	72%	0.722	68%	0.677	S	S	*	*			trans	-140.2	-12.9	-159.9	0	0	0	0	0	121.4	D98	D98-G100 VanDerWaalsContact C-N 3.26Å; D98-G100 PolarHBondContact O-N 3.42Å
101	N	37.3	Very low	43.2	Very low	166 Å²	166	116.8 Å²	116.8	89%	0.888	70%	0.704	S	S	*	*			trans	-160.8	157.8	173	-159.5	18.1	0	0	0	114.2
102	E	37.4	Very low	42.2	Very low	176 Å²	176	120.9 Å²	120.9	82%	0.822	72%	0.721	S	S	*	*			trans	-90.8	121.1	-179.8	-74.7	-174	98.3	0	0	114.5
103	A	35.8	Very low	41.9	Very low	94 Å²	94	119.1 Å²	119.1	78%	0.777	73%	0.733	S	S	*	*			trans	61.4	171.3	140.3	0	0	0	0	0	119.8
104	P	39	Very low	42.3	Very low	121 Å²	121	116.9 Å²	116.9	79%	0.786	73%	0.728	S	S	*	*			cis	-122.1	176.3	-9	39.6	-24.4	0	0	0	115.4
105	V	35.4	Very low	42.9	Very low	139 Å²	139	118.6 Å²	118.6	84%	0.842	73%	0.732	S	S	*	*			trans	-49.6	148.6	179.3	-71.8	0	0	0	0	117.8
106	S	36.7	Very low	44.1	Very low	107 Å²	107	122.5 Å²	122.5	75%	0.748	73%	0.732	S	S	*	*			trans	-167.6	150	131.2	40.8	0	0	0	0	114.7
107	N	33.1	Very low	45.7	Very low	150 Å²	150	117.4 Å²	117.4	80%	0.802	71%	0.705	S	S	*	*			trans	61.3	81.7	158.2	-60.5	-5.9	0	0	0	120.6
108	V	33.3	Very low	47.2	Very low	144 Å²	144	115.8 Å²	115.8	87%	0.873	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-94	128.4	140.6	176.6	0	0	0	0	107.9
109	T	31.3	Very low	49.3	Very low	128 Å²	128	111.7 Å²	111.7	79%	0.785	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-94.7	120.8	179.2	-58.2	0	0	0	0	111.2
110	C	29.4	Very low	51.8	Low	105 Å²	105	108.3 Å²	108.3	71%	0.709	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-74.4	126.9	-178.9	-54.8	0	0	0	0	112.9
111	S	40.8	Very low	54.4	Low	116 Å²	116	107.6 Å²	107.6	81%	0.811	65%	0.645	S	S	*	*			trans	-99.9	109	159.4	50.6	0	0	0	0	109.7	G113	S111-G113 PolarHBondContact O-N 3.33Å
112	N	37.4	Very low	57.1	Low	156 Å²	156	99.7 Å²	99.7	83%	0.834	60%	0.603	S	S	*	*			trans	-75.1	121.8	-173.2	-65.2	-49.1	0	0	0	112.1
113	G	54.5	Low	59.7	Low	76 Å²	76	95.2 Å²	95.2	78%	0.784	58%	0.582	S	S	*	*			trans	-171.1	-34	174.6	0	0	0	0	0	116.4	S111	S111-G113 PolarHBondContact O-N 3.33Å
114	G	58.5	Low	62.5	Low	27 Å²	27	94.7 Å²	94.7	28%	0.278	56%	0.563	S	S	.	*	S	Bend	trans	-72.8	154	-176.7	0	0	0	0	0	114.9	F170	G114-F170 CarbonylContact C-O 3.43Å; G114-F170 WeakPolarHBondContact CA-O 3.4Å
115	M	74.7	Confident	65.1	Low	116 Å²	116	90.1 Å²	90.1	57%	0.571	53%	0.531	S	S	*	.	B	Isolated β-bridge	trans	-71.2	134.7	174.7	-177.3	170.1	-76.7	0	0	110.7	F170 V173	M115-F170 PolarHBondContact N-O 3.07Å; M115-F170 PolarHBondContact O-N 3.09Å; M115-V173 HydrophobicContact CB-CG2 4.42Å; M115-V173 HydrophobicContact CG-CG2 4.48Å; M115-V173 HydrophobicContact SD-CG2 4.36Å
116	R	80.5	Confident	68	Low	177 Å²	177	84.6 Å²	84.6	67%	0.668	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-90.7	140	168.7	-69.5	-177.9	175.6	-170.2	-5.2	109.9	T169	R116-T169 HydrophobicContact CG-CG2 3.87Å
117	I	86.6	Confident	70.7	Confident	13 Å²	13	84 Å²	84	7%	0.067	48%	0.481	C	S	.	.			trans	-144.5	141.3	175.3	-175.9	167.9	0	0	0	109.1	E121 V122 I158 L162 F170 V173	I117-E121 HydrophobicContact CD1-CB 4.11Å; I117-E121 HydrophobicContact CD1-CG 4.2Å; I117-E121 HydrophobicContact CG1-CB 3.84Å; I117-E121 HydrophobicContact CG1-CG 4.32Å; I117-V122 HydrophobicContact CD1-CG2 3.76Å; I117-V122 HydrophobicContact CG1-CG2 3.91Å; I117-V122 HydrophobicContact CG2-CG2 3.9Å; I117-I158 HydrophobicContact CG2-CG2 4.16Å; I117-L162 HydrophobicContact CG2-CD1 4.3Å; I117-L162 WeakPolarHBondContact O-CD1 3.32Å; I117-F170 HydrophobicContact CG2-CD2 4.01Å; I117-F170 HydrophobicContact CG2-CE2 4.17Å; I117-V173 HydrophobicContact CD1-CG1 3.76Å; I117-V173 HydrophobicContact CG2-CG1 4.39Å; I117-V173 HydrophobicContact CG2-CG2 4.34Å
118	S	89.6	Confident	73.6	Confident	57 Å²	57	78.4 Å²	78.4	40%	0.399	45%	0.452	S	S	.	.			trans	-79.1	151.9	178.5	68.8	0	0	0	0	111.7	S120 E121 V122	S118-S120 PolarHBondContact O-N 3.39Å; S118-S120 PolarHBondContact OG-OG 2.88Å; S118-E121 PolarHBondContact O-N 2.95Å; S118-E121 PolarHBondContact OG-N 3.36Å; S118-V122 PolarHBondContact O-N 3.4Å; S118-V122 VanDerWaalsContact O-N 3.1Å
119	L	89.4	Confident	76.6	Confident	61 Å²	61	72.2 Å²	72.2	32%	0.319	41%	0.413	S	S	.	.	H	α-helix	trans	-55	-38.5	175.5	-177.6	149.9	0	0	0	111.8	V122 E123 L162 R163	L119-V122 PolarHBondContact O-N 3.06Å; L119-E123 HydrophobicContact CD2-CG 4.33Å; L119-E123 WeakPolarHBondContact CD2-OE1 3.26Å; L119-E123 WeakPolarHBondContact O-CG 3.24Å; L119-E123 PolarHBondContact O-N 3.1Å; L119-L162 HydrophobicContact CB-CB 4.34Å; L119-L162 HydrophobicContact CB-CD1 4.38Å; L119-L162 HydrophobicContact CD1-CB 4.34Å; L119-R163 HydrophobicContact CD1-CG 3.68Å
120	S	90.7	Very high	79.7	Confident	76 Å²	76	68.3 Å²	68.3	53%	0.531	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-36.9	175.2	50.8	0	0	0	0	114.1	S118 E123 E124	S118-S120 PolarHBondContact O-N 3.39Å; S118-S120 PolarHBondContact OG-OG 2.88Å; S120-E123 PolarHBondContact O-N 2.87Å; S120-E124 PolarHBondContact O-N 2.96Å
121	E	91.5	Very high	82.7	Confident	55 Å²	55	66.5 Å²	66.5	26%	0.257	37%	0.368	S	S	.	.	H	α-helix	trans	-75.2	-29	177.7	-159.6	-162.2	148.7	0	0	111.4	I117 S118 R125 K176	I117-E121 HydrophobicContact CD1-CB 4.11Å; I117-E121 HydrophobicContact CD1-CG 4.2Å; I117-E121 HydrophobicContact CG1-CB 3.84Å; I117-E121 HydrophobicContact CG1-CG 4.32Å; S118-E121 PolarHBondContact O-N 2.95Å; S118-E121 PolarHBondContact OG-N 3.36Å; E121-R125 WeakPolarHBondContact O-CB 3.5Å; E121-R125 VanDerWaalsContact O-CG 3.23Å; E121-R125 WeakPolarHBondContact O-CG 3.43Å; E121-R125 PolarHBondContact O-N 2.69Å; E121-R125 IonicContact OE1-CZ 2.68Å; E121-R125 VanDerWaalsContact OE1-CZ 3.27Å; E121-R125 IonicContact OE1-NE 3.46Å; E121-R125 PolarHBondContact OE1-NE 2.87Å; E121-R125 IonicContact OE1-NH2 2.7Å; E121-R125 PolarHBondContact OE1-NH2 2.84Å; E121-K176 WeakPolarHBondContact OE1-CE 3.28Å; E121-K176 IonicContact OE1-NZ 3.88Å
122	V	92.7	Very high	85.2	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-69.1	-40.2	170.8	-178.7	0	0	0	0	111	I117 S118 L119 R125 I126 L155 I158 H159 L162	I117-V122 HydrophobicContact CD1-CG2 3.76Å; I117-V122 HydrophobicContact CG1-CG2 3.91Å; I117-V122 HydrophobicContact CG2-CG2 3.9Å; S118-V122 PolarHBondContact O-N 3.4Å; S118-V122 VanDerWaalsContact O-N 3.1Å; L119-V122 PolarHBondContact O-N 3.06Å; V122-R125 PolarHBondContact O-N 2.83Å; V122-I126 HydrophobicContact CG1-CD1 4.07Å; V122-I126 HydrophobicContact CG1-CG1 4.48Å; V122-I126 VanDerWaalsContact O-CG1 3.32Å; V122-I126 WeakPolarHBondContact O-CG1 3.48Å; V122-I126 PolarHBondContact O-N 2.89Å; V122-L155 HydrophobicContact CG1-CD2 4.33Å; V122-L155 VanDerWaalsContact CG1-O 3.29Å; V122-L155 WeakPolarHBondContact CG1-O 3.48Å; V122-I158 HydrophobicContact CG1-CG2 4.36Å; V122-I158 HydrophobicContact CG2-CG2 3.75Å; V122-H159 HydrophobicContact CG1-CB 3.76Å; V122-L162 HydrophobicContact CG2-CD1 3.74Å
123	E	93.5	Very high	88	Confident	82 Å²	82	54 Å²	54	38%	0.383	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-43.5	175	-73.3	177	161.3	0	0	112.1	L119 S120 R125 I126 Q127 H159 R163	L119-E123 HydrophobicContact CD2-CG 4.33Å; L119-E123 WeakPolarHBondContact CD2-OE1 3.26Å; L119-E123 WeakPolarHBondContact O-CG 3.24Å; L119-E123 PolarHBondContact O-N 3.1Å; S120-E123 PolarHBondContact O-N 2.87Å; E123-R125 PolarHBondContact O-N 3.32Å; E123-I126 PolarHBondContact O-N 3.35Å; E123-Q127 PolarHBondContact O-N 3.42Å; E123-Q127 VanDerWaalsContact O-N 3.1Å; E123-H159 WeakPolarHBondContact CG-NE2 3.39Å; E123-H159 IonicContact OE1-CD2 2.71Å; E123-H159 IonicContact OE1-CE1 3.97Å; E123-H159 PolarHBondContact OE1-CE1 3.34Å; E123-H159 IonicContact OE1-NE2 3.96Å; E123-H159 PolarHBondContact OE1-NE2 2.9Å; E123-R163 IonicContact OE1-NH2 2.66Å
124	E	93.8	Very high	89.8	Confident	82 Å²	82	57 Å²	57	38%	0.383	29%	0.285	S	S	.	.	H	α-helix	trans	-57.5	-47.1	170.8	-171.7	-148.8	134.1	0	0	111.7	S120 I126 Q127 N128 K176	S120-E124 PolarHBondContact O-N 2.96Å; E124-I126 PolarHBondContact O-N 3.08Å; E124-Q127 PolarHBondContact O-N 3.43Å; E124-N128 VanDerWaalsContact O-CG 3.31Å; E124-N128 PolarHBondContact O-N 3.19Å; E124-N128 PolarHBondContact O-OD1 2.68Å; E124-K176 WeakPolarHBondContact OE1-CE 3.37Å; E124-K176 IonicContact OE1-NZ 2.6Å; E124-K176 PolarHBondContact OE1-NZ 3.43Å; E124-K176 IonicContact OE2-NZ 3.44Å; E124-K176 PolarHBondContact OE2-NZ 2.88Å
125	R	94.2	Very high	91.4	Very high	26 Å²	26	58.5 Å²	58.5	10%	0.098	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-42.6	176.7	-76.6	174.7	-168.9	-145.3	15.5	111.6	E121 V122 E123 Q127 N128 Y129 L155 P174 K176	E121-R125 WeakPolarHBondContact O-CB 3.5Å; E121-R125 VanDerWaalsContact O-CG 3.23Å; E121-R125 WeakPolarHBondContact O-CG 3.43Å; E121-R125 PolarHBondContact O-N 2.69Å; E121-R125 IonicContact OE1-CZ 2.68Å; E121-R125 VanDerWaalsContact OE1-CZ 3.27Å; E121-R125 IonicContact OE1-NE 3.46Å; E121-R125 PolarHBondContact OE1-NE 2.87Å; E121-R125 IonicContact OE1-NH2 2.7Å; E121-R125 PolarHBondContact OE1-NH2 2.84Å; V122-R125 PolarHBondContact O-N 2.83Å; E123-R125 PolarHBondContact O-N 3.32Å; R125-Q127 VanDerWaalsContact C-N 3.32Å; R125-Q127 PolarHBondContact O-N 3.42Å; R125-N128 PolarHBondContact O-N 2.89Å; R125-Y129 VanDerWaalsContact O-CD2 3.24Å; R125-Y129 WeakPolarHBondContact O-CD2 3.36Å; R125-Y129 PolarHBondContact O-N 3.02Å; R125-L155 HydrophobicContact CB-CD1 3.79Å; R125-L155 HydrophobicContact CB-CD2 3.72Å; R125-L155 HydrophobicContact CB-CG 4.41Å; R125-L155 HydrophobicContact CG-CD2 4.41Å; R125-P174 PolarHBondContact NH1-O 2.94Å; R125-K176 HydrophobicContact CG-CG 3.85Å
126	I	94.8	Very high	92.2	Very high	23 Å²	23	53 Å²	53	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-42.6	177.3	-72.7	167.8	0	0	0	110.9	V122 E123 E124 Y129 N130 L152 L155 R156 H159	V122-I126 HydrophobicContact CG1-CD1 4.07Å; V122-I126 HydrophobicContact CG1-CG1 4.48Å; V122-I126 VanDerWaalsContact O-CG1 3.32Å; V122-I126 WeakPolarHBondContact O-CG1 3.48Å; V122-I126 PolarHBondContact O-N 2.89Å; E123-I126 PolarHBondContact O-N 3.35Å; E124-I126 PolarHBondContact O-N 3.08Å; I126-Y129 PolarHBondContact O-N 3.25Å; I126-N130 PolarHBondContact O-N 2.95Å; I126-N130 PolarHBondContact O-ND2 3.03Å; I126-L152 HydrophobicContact CG2-CD2 4.5Å; I126-L155 HydrophobicContact CD1-CB 4.44Å; I126-L155 HydrophobicContact CG1-CB 3.76Å; I126-R156 HydrophobicContact CD1-CG 4.19Å; I126-H159 HydrophobicContact CD1-CB 3.96Å
127	Q	94.6	Very high	92.8	Very high	94 Å²	94	49.5 Å²	49.5	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-50	177.3	-175.4	61.6	14.5	0	0	111.9	E123 E124 R125 Y129 N130 E131	E123-Q127 PolarHBondContact O-N 3.42Å; E123-Q127 VanDerWaalsContact O-N 3.1Å; E124-Q127 PolarHBondContact O-N 3.43Å; R125-Q127 VanDerWaalsContact C-N 3.32Å; R125-Q127 PolarHBondContact O-N 3.42Å; Q127-Y129 PolarHBondContact O-N 3.06Å; Q127-N130 WeakPolarHBondContact O-CB 3.5Å; Q127-N130 PolarHBondContact O-N 2.98Å; Q127-E131 PolarHBondContact NE2-OE1 2.87Å; Q127-E131 PolarHBondContact O-N 2.87Å
128	N	94.1	Very high	93.1	Very high	33 Å²	33	53.1 Å²	53.1	18%	0.176	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-36.7	179.6	-64.3	-8.6	0	0	0	112.1	E124 R125 A132 V179	E124-N128 VanDerWaalsContact O-CG 3.31Å; E124-N128 PolarHBondContact O-N 3.19Å; E124-N128 PolarHBondContact O-OD1 2.68Å; R125-N128 PolarHBondContact O-N 2.89Å; N128-A132 WeakPolarHBondContact O-CB 3.45Å; N128-A132 PolarHBondContact O-N 3.43Å; N128-V179 HydrophobicContact CB-CG2 4.01Å; N128-V179 VanDerWaalsContact O-CG2 3.3Å; N128-V179 WeakPolarHBondContact O-CG2 3.49Å
129	Y	96.6	Very high	93	Very high	14 Å²	14	54.2 Å²	54.2	6%	0.055	29%	0.288	C	S	.	.	H	α-helix	trans	-73.9	-35.3	175	-87.3	-108.6	0	0	0	113.3	R125 I126 Q127 E131 A132 A133 V148 L152 L155 P174 P175 V177	R125-Y129 VanDerWaalsContact O-CD2 3.24Å; R125-Y129 WeakPolarHBondContact O-CD2 3.36Å; R125-Y129 PolarHBondContact O-N 3.02Å; I126-Y129 PolarHBondContact O-N 3.25Å; Q127-Y129 PolarHBondContact O-N 3.06Å; Y129-E131 VanDerWaalsContact C-N 3.27Å; Y129-E131 PolarHBondContact O-N 3.17Å; Y129-A132 PolarHBondContact O-N 2.93Å; Y129-A133 WeakPolarHBondContact O-CB 3.45Å; Y129-A133 PolarHBondContact O-N 3.39Å; Y129-V148 HydrophobicContact CD1-CB 4.49Å; Y129-V148 HydrophobicContact CD1-CG1 3.81Å; Y129-V148 WeakPolarHBondContact CD1-O 3.44Å; Y129-V148 HydrophobicContact CG-CG1 4.41Å; Y129-V148 WeakPolarHBondContact O-CG1 3.43Å; Y129-L152 HydrophobicContact CD1-CG 4.45Å; Y129-L152 HydrophobicContact CG-CD2 4.45Å; Y129-L155 HydrophobicContact CD1-CD1 4.41Å; Y129-L155 HydrophobicContact CD2-CD1 3.54Å; Y129-L155 HydrophobicContact CE2-CD1 3.7Å; Y129-L155 HydrophobicContact CG-CD1 3.91Å; Y129-P174 WeakPolarHBondContact OH-CB 3.23Å; Y129-P175 WeakPolarHBondContact CE2-O 3.28Å; Y129-P175 PolarHBondContact OH-O 3.5Å; Y129-V177 HydrophobicContact CD1-CG2 4.33Å; Y129-V177 HydrophobicContact CD2-CB 4.3Å; Y129-V177 HydrophobicContact CD2-CG2 3.94Å; Y129-V177 HydrophobicContact CE1-CG2 3.91Å; Y129-V177 HydrophobicContact CE2-CB 4.21Å; Y129-V177 HydrophobicContact CE2-CG2 3.53Å; Y129-V177 HydrophobicContact CG-CG2 4.34Å; Y129-V177 VanDerWaalsContact CZ-CG2 3.5Å
130	N	95	Very high	93	Very high	45 Å²	45	58.7 Å²	58.7	24%	0.241	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-37.1	174.1	-70.6	-35	0	0	0	111	I126 Q127 K134 L152 R156	I126-N130 PolarHBondContact O-N 2.95Å; I126-N130 PolarHBondContact O-ND2 3.03Å; Q127-N130 WeakPolarHBondContact O-CB 3.5Å; Q127-N130 PolarHBondContact O-N 2.98Å; N130-K134 PolarHBondContact O-N 3.39Å; N130-L152 WeakPolarHBondContact OD1-CD2 3.5Å; N130-R156 PolarHBondContact OD1-NH2 2.87Å
131	E	94	Very high	92.8	Very high	68 Å²	68	59 Å²	59	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-71.8	-44.2	176	-71.2	169.9	-172.1	0	0	111.5	Q127 Y129 A133 K134 E135 V179	Q127-E131 PolarHBondContact NE2-OE1 2.87Å; Q127-E131 PolarHBondContact O-N 2.87Å; Y129-E131 VanDerWaalsContact C-N 3.27Å; Y129-E131 PolarHBondContact O-N 3.17Å; E131-A133 PolarHBondContact O-N 3.31Å; E131-K134 PolarHBondContact O-N 2.94Å; E131-E135 PolarHBondContact O-N 3.15Å; E131-V179 HydrophobicContact CB-CG1 4.08Å; E131-V179 HydrophobicContact CB-CG2 3.91Å
132	A	93.7	Very high	92.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-23.3	173.8	0	0	0	0	0	114.1	N128 Y129 A136 V148 V177	N128-A132 WeakPolarHBondContact O-CB 3.45Å; N128-A132 PolarHBondContact O-N 3.43Å; Y129-A132 PolarHBondContact O-N 2.93Å; A132-A136 WeakPolarHBondContact O-CB 3.43Å; A132-A136 PolarHBondContact O-N 3.04Å; A132-A136 VanDerWaalsContact O-N 3.15Å; A132-V148 HydrophobicContact CB-CG1 4.19Å; A132-V148 HydrophobicContact CB-CG2 4.2Å; A132-V177 HydrophobicContact CB-CB 4.44Å; A132-V177 HydrophobicContact CB-CG1 3.64Å
133	A	94.1	Very high	92.5	Very high	9 Å²	9	63.9 Å²	63.9	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-72.7	-48	173	0	0	0	0	0	110.8	Y129 E131 E135 A136 E137 L145 V148 L152	Y129-A133 WeakPolarHBondContact O-CB 3.45Å; Y129-A133 PolarHBondContact O-N 3.39Å; E131-A133 PolarHBondContact O-N 3.31Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 3.32Å; A133-A136 WeakPolarHBondContact O-CA 3.49Å; A133-A136 WeakPolarHBondContact O-CB 3.32Å; A133-A136 PolarHBondContact O-N 3.44Å; A133-E137 PolarHBondContact O-N 2.76Å; A133-L145 HydrophobicContact CB-CD1 4.22Å; A133-V148 HydrophobicContact CB-CG1 3.86Å; A133-L152 HydrophobicContact CB-CD1 4.38Å
134	K	94	Very high	92.3	Very high	138 Å²	138	62.9 Å²	62.9	60%	0.6	33%	0.326	S	S	*	.	H	α-helix	trans	-58.6	-41.7	173.6	-66.8	172.4	-177.6	177.4	0	111.9	N130 E131 A136 E137 A138	N130-K134 PolarHBondContact O-N 3.39Å; E131-K134 PolarHBondContact O-N 2.94Å; K134-A136 VanDerWaalsContact C-N 3.29Å; K134-A136 PolarHBondContact O-N 2.78Å; K134-E137 PolarHBondContact O-N 3.15Å; K134-A138 VanDerWaalsContact O-CB 3.24Å; K134-A138 WeakPolarHBondContact O-CB 3.34Å; K134-A138 PolarHBondContact O-N 3.23Å
135	E	91.8	Very high	92.3	Very high	59 Å²	59	59.9 Å²	59.9	28%	0.276	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-39.8	171.7	-73.4	-174	167	0	0	112.2	E131 A133 S139 K144	E131-E135 PolarHBondContact O-N 3.15Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 3.32Å; E135-S139 VanDerWaalsContact O-CB 3.26Å; E135-S139 WeakPolarHBondContact O-CB 3.37Å; E135-S139 PolarHBondContact O-N 3.27Å; E135-S139 PolarHBondContact O-OG 3.22Å; E135-K144 IonicContact OE2-NZ 3.08Å; E135-K144 PolarHBondContact OE2-NZ 3.24Å
136	A	91.8	Very high	92.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-73.7	-36.8	-177.3	0	0	0	0	0	112.5	A132 A133 K134 E140 N141 K144 L145	A132-A136 WeakPolarHBondContact O-CB 3.43Å; A132-A136 PolarHBondContact O-N 3.04Å; A132-A136 VanDerWaalsContact O-N 3.15Å; A133-A136 WeakPolarHBondContact O-CA 3.49Å; A133-A136 WeakPolarHBondContact O-CB 3.32Å; A133-A136 PolarHBondContact O-N 3.44Å; K134-A136 VanDerWaalsContact C-N 3.29Å; K134-A136 PolarHBondContact O-N 2.78Å; A136-E140 PolarHBondContact O-N 3.46Å; A136-N141 PolarHBondContact O-N 3.28Å; A136-K144 HydrophobicContact CB-CB 3.94Å; A136-K144 HydrophobicContact CB-CD 3.75Å; A136-K144 HydrophobicContact CB-CG 3.73Å; A136-L145 HydrophobicContact CB-CB 3.89Å; A136-L145 HydrophobicContact CB-CD1 4.25Å
137	E	92.2	Very high	92.1	Very high	105 Å²	105	73.5 Å²	73.5	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-51	170.6	-73.4	161.6	-173	0	0	110.6	A133 K134 S139 E140 L145	A133-E137 PolarHBondContact O-N 2.76Å; K134-E137 PolarHBondContact O-N 3.15Å; E137-S139 PolarHBondContact O-N 3.35Å; E137-E140 PolarHBondContact O-N 3.07Å; E137-L145 HydrophobicContact CG-CD1 3.78Å; E137-L145 HydrophobicContact CG-CD2 3.6Å; E137-L145 HydrophobicContact CG-CG 4.31Å
138	A	92.1	Very high	92.1	Very high	89 Å²	89	69.5 Å²	69.5	74%	0.736	34%	0.344	S	S	*	.	H	α-helix	trans	-67.4	-14.6	178.7	0	0	0	0	0	114.6	K134	K134-A138 VanDerWaalsContact O-CB 3.24Å; K134-A138 WeakPolarHBondContact O-CB 3.34Å; K134-A138 PolarHBondContact O-N 3.23Å
139	S	89.1	Confident	92.1	Very high	79 Å²	79	72.2 Å²	72.2	55%	0.552	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	10.6	173.5	-49.1	0	0	0	0	113	E135 E137 N141	E135-S139 VanDerWaalsContact O-CB 3.26Å; E135-S139 WeakPolarHBondContact O-CB 3.37Å; E135-S139 PolarHBondContact O-N 3.27Å; E135-S139 PolarHBondContact O-OG 3.22Å; E137-S139 PolarHBondContact O-N 3.35Å; S139-N141 PolarHBondContact O-N 3.28Å
140	E	89.5	Confident	92	Very high	156 Å²	156	80.7 Å²	80.7	73%	0.729	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	20.3	-175.4	-58	-170.4	156.3	0	0	114.7	A136 E137 F142	A136-E140 PolarHBondContact O-N 3.46Å; E137-E140 PolarHBondContact O-N 3.07Å; E140-F142 WeakPolarHBondContact O-CD2 3.43Å; E140-F142 WeakPolarHBondContact O-CE2 3.47Å; E140-F142 PolarHBondContact O-N 3.48Å
141	N	86.7	Confident	92	Very high	81 Å²	81	78.9 Å²	78.9	43%	0.433	38%	0.38	S	S	.	.			trans	-91.7	74.2	-170.6	-160.5	-59.7	0	0	0	110	A136 S139 G143 K144 L145	A136-N141 PolarHBondContact O-N 3.28Å; S139-N141 PolarHBondContact O-N 3.28Å; N141-G143 PolarHBondContact O-N 3.16Å; N141-K144 HydrophobicContact CB-CB 4.07Å; N141-K144 WeakPolarHBondContact O-CA 3.37Å; N141-K144 PolarHBondContact O-N 2.9Å; N141-K144 WeakPolarHBondContact OD1-CB 3.45Å; N141-K144 PolarHBondContact OD1-N 2.87Å; N141-L145 PolarHBondContact O-N 2.81Å
142	F	88.5	Confident	92	Very high	131 Å²	131	76.1 Å²	76.1	58%	0.575	37%	0.368	S	S	*	.	H	α-helix	trans	-52.1	-27	178.5	-57.2	-76.8	0	0	0	113.3	E140 R146	E140-F142 WeakPolarHBondContact O-CD2 3.43Å; E140-F142 WeakPolarHBondContact O-CE2 3.47Å; E140-F142 PolarHBondContact O-N 3.48Å; F142-R146 WeakPolarHBondContact O-CG 3.48Å; F142-R146 PolarHBondContact O-N 3.25Å
143	G	89	Confident	92	Very high	28 Å²	28	79 Å²	79	29%	0.289	39%	0.391	S	S	.	.	H	α-helix	trans	-68.3	-45.9	172.4	0	0	0	0	0	113.9	N141 R147	N141-G143 PolarHBondContact O-N 3.16Å; G143-R147 WeakPolarHBondContact O-CG 3.49Å; G143-R147 PolarHBondContact O-N 3.44Å
144	K	89.6	Confident	92	Very high	61 Å²	61	81.2 Å²	81.2	27%	0.265	40%	0.4	S	S	.	.	H	α-helix	trans	-63.4	-46.1	170.1	-177.3	-176.3	169	-175.6	0	109.9	E135 A136 N141 R146 R147 V148	E135-K144 IonicContact OE2-NZ 3.08Å; E135-K144 PolarHBondContact OE2-NZ 3.24Å; A136-K144 HydrophobicContact CB-CB 3.94Å; A136-K144 HydrophobicContact CB-CD 3.75Å; A136-K144 HydrophobicContact CB-CG 3.73Å; N141-K144 HydrophobicContact CB-CB 4.07Å; N141-K144 WeakPolarHBondContact O-CA 3.37Å; N141-K144 PolarHBondContact O-N 2.9Å; N141-K144 WeakPolarHBondContact OD1-CB 3.45Å; N141-K144 PolarHBondContact OD1-N 2.87Å; K144-R146 PolarHBondContact O-N 2.78Å; K144-R147 WeakPolarHBondContact O-CB 3.42Å; K144-R147 PolarHBondContact O-N 3.16Å; K144-R147 VanDerWaalsContact O-N 3.1Å; K144-V148 HydrophobicContact CG-CG2 4.2Å; K144-V148 WeakPolarHBondContact O-CG2 3.46Å; K144-V148 PolarHBondContact O-N 3.22Å
145	L	93.2	Very high	92.1	Very high	18 Å²	18	74.7 Å²	74.7	9%	0.094	37%	0.371	C	S	.	.	H	α-helix	trans	-57.5	-51	-176.7	-176.4	55.7	0	0	0	112.2	A133 A136 E137 N141 R147 V148 Q149	A133-L145 HydrophobicContact CB-CD1 4.22Å; A136-L145 HydrophobicContact CB-CB 3.89Å; A136-L145 HydrophobicContact CB-CD1 4.25Å; E137-L145 HydrophobicContact CG-CD1 3.78Å; E137-L145 HydrophobicContact CG-CD2 3.6Å; E137-L145 HydrophobicContact CG-CG 4.31Å; N141-L145 PolarHBondContact O-N 2.81Å; L145-R147 VanDerWaalsContact C-N 3.28Å; L145-R147 PolarHBondContact O-N 2.88Å; L145-V148 PolarHBondContact O-N 3.41Å; L145-V148 VanDerWaalsContact O-N 3.17Å; L145-Q149 HydrophobicContact CD1-CG 4.03Å; L145-Q149 HydrophobicContact CG-CG 4.37Å; L145-Q149 WeakPolarHBondContact O-CB 3.44Å; L145-Q149 WeakPolarHBondContact O-CG 3.34Å; L145-Q149 PolarHBondContact O-N 2.63Å
146	R	92.9	Very high	92.2	Very high	152 Å²	152	78 Å²	78	57%	0.574	38%	0.381	S	S	*	.	H	α-helix	trans	-61.4	-31.8	177.3	-72.5	-171.5	-66.5	-107.9	6.5	113.4	F142 K144 R150	F142-R146 WeakPolarHBondContact O-CG 3.48Å; F142-R146 PolarHBondContact O-N 3.25Å; K144-R146 PolarHBondContact O-N 2.78Å; R146-R150 VanDerWaalsContact O-CG 3.29Å; R146-R150 WeakPolarHBondContact O-CG 3.48Å; R146-R150 PolarHBondContact O-N 2.89Å
147	R	92.1	Very high	92.2	Very high	184 Å²	184	83.2 Å²	83.2	69%	0.694	40%	0.404	S	S	*	.	H	α-helix	trans	-70.3	-44.3	174.2	-68.2	172.5	-172.3	138.5	-0.7	111.6	G143 K144 L145 R150 G151	G143-R147 WeakPolarHBondContact O-CG 3.49Å; G143-R147 PolarHBondContact O-N 3.44Å; K144-R147 WeakPolarHBondContact O-CB 3.42Å; K144-R147 PolarHBondContact O-N 3.16Å; K144-R147 VanDerWaalsContact O-N 3.1Å; L145-R147 VanDerWaalsContact C-N 3.28Å; L145-R147 PolarHBondContact O-N 2.88Å; R147-R150 PolarHBondContact O-N 3.23Å; R147-G151 PolarHBondContact O-N 3.15Å
148	V	94.5	Very high	92.2	Very high	10 Å²	10	78.2 Å²	78.2	6%	0.061	38%	0.381	C	S	.	.	H	α-helix	trans	-66.3	-43.3	178.6	176.9	0	0	0	0	111.1	Y129 A132 A133 K144 L145 R150 G151 L152	Y129-V148 HydrophobicContact CD1-CB 4.49Å; Y129-V148 HydrophobicContact CD1-CG1 3.81Å; Y129-V148 WeakPolarHBondContact CD1-O 3.44Å; Y129-V148 HydrophobicContact CG-CG1 4.41Å; Y129-V148 WeakPolarHBondContact O-CG1 3.43Å; A132-V148 HydrophobicContact CB-CG1 4.19Å; A132-V148 HydrophobicContact CB-CG2 4.2Å; A133-V148 HydrophobicContact CB-CG1 3.86Å; K144-V148 HydrophobicContact CG-CG2 4.2Å; K144-V148 WeakPolarHBondContact O-CG2 3.46Å; K144-V148 PolarHBondContact O-N 3.22Å; L145-V148 PolarHBondContact O-N 3.41Å; L145-V148 VanDerWaalsContact O-N 3.17Å; V148-R150 VanDerWaalsContact C-N 3.34Å; V148-R150 PolarHBondContact O-N 3.48Å; V148-G151 PolarHBondContact O-N 2.71Å; V148-G151 VanDerWaalsContact O-N 3.12Å; V148-L152 HydrophobicContact CG1-CD1 4.49Å; V148-L152 PolarHBondContact O-N 3.01Å
149	Q	94.5	Very high	92.2	Very high	90 Å²	90	75.2 Å²	75.2	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-39	177.1	-73.7	171.2	-18.1	0	0	112.8	L145 L152 A153	L145-Q149 HydrophobicContact CD1-CG 4.03Å; L145-Q149 HydrophobicContact CG-CG 4.37Å; L145-Q149 WeakPolarHBondContact O-CB 3.44Å; L145-Q149 WeakPolarHBondContact O-CG 3.34Å; L145-Q149 PolarHBondContact O-N 2.63Å; Q149-L152 PolarHBondContact O-N 3.25Å; Q149-A153 PolarHBondContact O-N 2.99Å
150	R	94.2	Very high	92.2	Very high	191 Å²	191	76.8 Å²	76.8	72%	0.721	35%	0.35	S	S	*	.	H	α-helix	trans	-61.7	-43.2	172.2	-73.7	171.3	-178	-175.4	-1.1	112.2	R146 R147 V148 A153 E154	R146-R150 VanDerWaalsContact O-CG 3.29Å; R146-R150 WeakPolarHBondContact O-CG 3.48Å; R146-R150 PolarHBondContact O-N 2.89Å; R147-R150 PolarHBondContact O-N 3.23Å; V148-R150 VanDerWaalsContact C-N 3.34Å; V148-R150 PolarHBondContact O-N 3.48Å; R150-A153 PolarHBondContact O-N 3.47Å; R150-E154 PolarHBondContact O-N 2.92Å
151	G	94.8	Very high	92.2	Very high	8 Å²	8	73.1 Å²	73.1	8%	0.082	34%	0.335	C	S	.	.	H	α-helix	trans	-65.4	-36.9	175.4	0	0	0	0	0	113.5	R147 V148 E154 L155	R147-G151 PolarHBondContact O-N 3.15Å; V148-G151 PolarHBondContact O-N 2.71Å; V148-G151 VanDerWaalsContact O-N 3.12Å; G151-E154 PolarHBondContact O-N 3.13Å; G151-L155 WeakPolarHBondContact O-CB 3.47Å; G151-L155 VanDerWaalsContact O-CG 3.26Å; G151-L155 WeakPolarHBondContact O-CG 3.38Å; G151-L155 PolarHBondContact O-N 3.4Å
152	L	94.1	Very high	92.3	Very high	10 Å²	10	69.7 Å²	69.7	5%	0.052	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-41.2	172.4	-78.9	172.4	0	0	0	112.6	I126 Y129 N130 A133 V148 Q149 R156	I126-L152 HydrophobicContact CG2-CD2 4.5Å; Y129-L152 HydrophobicContact CD1-CG 4.45Å; Y129-L152 HydrophobicContact CG-CD2 4.45Å; N130-L152 WeakPolarHBondContact OD1-CD2 3.5Å; A133-L152 HydrophobicContact CB-CD1 4.38Å; V148-L152 HydrophobicContact CG1-CD1 4.49Å; V148-L152 PolarHBondContact O-N 3.01Å; Q149-L152 PolarHBondContact O-N 3.25Å; L152-R156 WeakPolarHBondContact O-CB 3.44Å; L152-R156 WeakPolarHBondContact O-CD 3.27Å; L152-R156 WeakPolarHBondContact O-CG 3.23Å; L152-R156 PolarHBondContact O-N 3.16Å
153	A	94.2	Very high	92.3	Very high	59 Å²	59	70.5 Å²	70.5	49%	0.488	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-50	178.2	0	0	0	0	0	111.3	Q149 R150 R156 K157	Q149-A153 PolarHBondContact O-N 2.99Å; R150-A153 PolarHBondContact O-N 3.47Å; A153-R156 PolarHBondContact O-N 3.42Å; A153-K157 PolarHBondContact O-N 3.44Å
154	E	93.8	Very high	92.2	Very high	57 Å²	57	74.2 Å²	74.2	27%	0.266	33%	0.333	S	S	.	.	H	α-helix	trans	-69.2	-37.8	-178.9	-163.8	61.9	-149.9	0	0	112.1	R150 G151 R156 K157 I158 P174	R150-E154 PolarHBondContact O-N 2.92Å; G151-E154 PolarHBondContact O-N 3.13Å; E154-R156 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 3.01Å; E154-K157 VanDerWaalsContact CD-NZ 3.3Å; E154-K157 WeakPolarHBondContact O-CB 3.46Å; E154-K157 PolarHBondContact O-N 3.25Å; E154-K157 WeakPolarHBondContact OE1-CE 3.41Å; E154-K157 IonicContact OE1-NZ 2.78Å; E154-K157 PolarHBondContact OE1-NZ 3.16Å; E154-K157 IonicContact OE2-NZ 2.63Å; E154-K157 PolarHBondContact OE2-NZ 2.98Å; E154-K157 VanDerWaalsContact OE2-NZ 3.08Å; E154-I158 HydrophobicContact CG-CD1 4.32Å; E154-I158 VanDerWaalsContact O-CG1 3.28Å; E154-I158 WeakPolarHBondContact O-CG1 3.46Å; E154-I158 PolarHBondContact O-N 2.99Å; E154-P174 HydrophobicContact CB-CG 3.88Å; E154-P174 HydrophobicContact CG-CG 4.19Å
155	L	94.7	Very high	91.9	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-38.4	173.3	-74.1	168	0	0	0	112.6	V122 R125 I126 Y129 G151 I158 H159 P174	V122-L155 HydrophobicContact CG1-CD2 4.33Å; V122-L155 VanDerWaalsContact CG1-O 3.29Å; V122-L155 WeakPolarHBondContact CG1-O 3.48Å; R125-L155 HydrophobicContact CB-CD1 3.79Å; R125-L155 HydrophobicContact CB-CD2 3.72Å; R125-L155 HydrophobicContact CB-CG 4.41Å; R125-L155 HydrophobicContact CG-CD2 4.41Å; I126-L155 HydrophobicContact CD1-CB 4.44Å; I126-L155 HydrophobicContact CG1-CB 3.76Å; Y129-L155 HydrophobicContact CD1-CD1 4.41Å; Y129-L155 HydrophobicContact CD2-CD1 3.54Å; Y129-L155 HydrophobicContact CE2-CD1 3.7Å; Y129-L155 HydrophobicContact CG-CD1 3.91Å; G151-L155 WeakPolarHBondContact O-CB 3.47Å; G151-L155 VanDerWaalsContact O-CG 3.26Å; G151-L155 WeakPolarHBondContact O-CG 3.38Å; G151-L155 PolarHBondContact O-N 3.4Å; L155-I158 PolarHBondContact O-N 3.3Å; L155-H159 WeakPolarHBondContact O-CB 3.23Å; L155-H159 PolarHBondContact O-N 3.26Å; L155-P174 HydrophobicContact CD1-CB 4.37Å; L155-P174 HydrophobicContact CD2-CB 4.32Å; L155-P174 HydrophobicContact CD2-CG 4.32Å; L155-P174 HydrophobicContact CG-CB 4.06Å; L155-P174 HydrophobicContact CG-CG 3.99Å
156	R	94.1	Very high	91.2	Very high	128 Å²	128	79.5 Å²	79.5	48%	0.483	37%	0.371	S	S	.	.	H	α-helix	trans	-68.2	-36.1	175.7	-72	167	-172.4	161.9	3.6	112.1	I126 N130 L152 A153 E154 H159 Q160	I126-R156 HydrophobicContact CD1-CG 4.19Å; N130-R156 PolarHBondContact OD1-NH2 2.87Å; L152-R156 WeakPolarHBondContact O-CB 3.44Å; L152-R156 WeakPolarHBondContact O-CD 3.27Å; L152-R156 WeakPolarHBondContact O-CG 3.23Å; L152-R156 PolarHBondContact O-N 3.16Å; A153-R156 PolarHBondContact O-N 3.42Å; E154-R156 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 3.01Å; R156-H159 PolarHBondContact O-N 2.94Å; R156-Q160 PolarHBondContact O-N 3.14Å
157	K	92.1	Very high	90.4	Very high	111 Å²	111	77.4 Å²	77.4	48%	0.483	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-45.8	172.3	175.9	178.3	159.5	-142.4	0	111.7	A153 E154 H159 Q160 L161	A153-K157 PolarHBondContact O-N 3.44Å; E154-K157 VanDerWaalsContact CD-NZ 3.3Å; E154-K157 WeakPolarHBondContact O-CB 3.46Å; E154-K157 PolarHBondContact O-N 3.25Å; E154-K157 WeakPolarHBondContact OE1-CE 3.41Å; E154-K157 IonicContact OE1-NZ 2.78Å; E154-K157 PolarHBondContact OE1-NZ 3.16Å; E154-K157 IonicContact OE2-NZ 2.63Å; E154-K157 PolarHBondContact OE2-NZ 2.98Å; E154-K157 VanDerWaalsContact OE2-NZ 3.08Å; K157-H159 PolarHBondContact O-N 2.91Å; K157-Q160 PolarHBondContact O-N 3.17Å; K157-L161 HydrophobicContact CG-CD1 4.31Å; K157-L161 WeakPolarHBondContact O-CG 3.3Å; K157-L161 PolarHBondContact O-N 3.32Å
158	I	92.4	Very high	89.9	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-42.1	174.2	-65.5	169	0	0	0	111	I117 V122 E154 L155 Q160 L161 L162 F170 V173	I117-I158 HydrophobicContact CG2-CG2 4.16Å; V122-I158 HydrophobicContact CG1-CG2 4.36Å; V122-I158 HydrophobicContact CG2-CG2 3.75Å; E154-I158 HydrophobicContact CG-CD1 4.32Å; E154-I158 VanDerWaalsContact O-CG1 3.28Å; E154-I158 WeakPolarHBondContact O-CG1 3.46Å; E154-I158 PolarHBondContact O-N 2.99Å; L155-I158 PolarHBondContact O-N 3.3Å; I158-Q160 PolarHBondContact O-N 2.89Å; I158-L161 PolarHBondContact O-N 3.15Å; I158-L162 HydrophobicContact CG2-CD1 4.15Å; I158-L162 WeakPolarHBondContact O-CG 3.15Å; I158-L162 PolarHBondContact O-N 3.37Å; I158-F170 HydrophobicContact CB-CD1 4.49Å; I158-F170 HydrophobicContact CB-CE1 4.26Å; I158-F170 HydrophobicContact CG1-CD1 3.87Å; I158-F170 HydrophobicContact CG1-CE1 4.09Å; I158-F170 HydrophobicContact CG1-CG 4.32Å; I158-F170 HydrophobicContact CG2-CD1 4.22Å; I158-F170 HydrophobicContact CG2-CD2 4.1Å; I158-F170 HydrophobicContact CG2-CE1 3.94Å; I158-F170 HydrophobicContact CG2-CE2 3.83Å; I158-F170 HydrophobicContact CG2-CG 4.3Å; I158-F170 HydrophobicContact CG2-CZ 3.75Å; I158-V173 HydrophobicContact CD1-CB 4.33Å; I158-V173 HydrophobicContact CD1-CG1 4.03Å; I158-V173 HydrophobicContact CD1-CG2 4.26Å
159	H	91.9	Very high	89.4	Confident	25 Å²	25	72.6 Å²	72.6	12%	0.116	37%	0.365	C	S	.	.	H	α-helix	trans	-61.2	-42.9	177.1	-173.7	-130.5	0	0	0	112.8	V122 E123 I126 L155 R156 K157 L162 R163	V122-H159 HydrophobicContact CG1-CB 3.76Å; E123-H159 WeakPolarHBondContact CG-NE2 3.39Å; E123-H159 IonicContact OE1-CD2 2.71Å; E123-H159 IonicContact OE1-CE1 3.97Å; E123-H159 PolarHBondContact OE1-CE1 3.34Å; E123-H159 IonicContact OE1-NE2 3.96Å; E123-H159 PolarHBondContact OE1-NE2 2.9Å; I126-H159 HydrophobicContact CD1-CB 3.96Å; L155-H159 WeakPolarHBondContact O-CB 3.23Å; L155-H159 PolarHBondContact O-N 3.26Å; R156-H159 PolarHBondContact O-N 2.94Å; K157-H159 PolarHBondContact O-N 2.91Å; H159-L162 PolarHBondContact O-N 2.7Å; H159-R163 PolarHBondContact CE1-NH2 3.3Å; H159-R163 WeakPolarHBondContact O-CG 3.46Å; H159-R163 PolarHBondContact O-N 3.4Å
160	Q	90.3	Very high	89	Confident	113 Å²	113	69.3 Å²	69.3	53%	0.528	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-40.5	176.2	-173.9	61.3	20.8	0	0	111.8	R156 K157 I158 R163 T164	R156-Q160 PolarHBondContact O-N 3.14Å; K157-Q160 PolarHBondContact O-N 3.17Å; I158-Q160 PolarHBondContact O-N 2.89Å; Q160-R163 PolarHBondContact O-N 3.03Å; Q160-T164 PolarHBondContact O-N 2.63Å; Q160-T164 PolarHBondContact O-OG1 3.08Å
161	L	88.7	Confident	88.5	Confident	78 Å²	78	69.9 Å²	69.9	41%	0.408	36%	0.36	S	S	.	.	H	α-helix	trans	-65.3	-42.6	176.6	-72.6	167.1	0	0	0	112.1	K157 I158 R163 T164 N165 F170	K157-L161 HydrophobicContact CG-CD1 4.31Å; K157-L161 WeakPolarHBondContact O-CG 3.3Å; K157-L161 PolarHBondContact O-N 3.32Å; I158-L161 PolarHBondContact O-N 3.15Å; L161-R163 PolarHBondContact O-N 3.04Å; L161-T164 PolarHBondContact O-N 3.04Å; L161-T164 VanDerWaalsContact O-N 3.1Å; L161-T164 PolarHBondContact O-OG1 2.72Å; L161-N165 PolarHBondContact O-N 2.68Å; L161-F170 HydrophobicContact CB-CE1 3.94Å; L161-F170 HydrophobicContact CB-CZ 4.16Å; L161-F170 HydrophobicContact CD1-CE1 3.86Å
162	L	89.6	Confident	88.1	Confident	10 Å²	10	76 Å²	76	5%	0.052	38%	0.384	C	S	.	.	H	α-helix	trans	-65.7	-22.5	175.6	-75.5	174.8	0	0	0	114	I117 L119 V122 I158 H159 N165 A168 F170	I117-L162 HydrophobicContact CG2-CD1 4.3Å; I117-L162 WeakPolarHBondContact O-CD1 3.32Å; L119-L162 HydrophobicContact CB-CB 4.34Å; L119-L162 HydrophobicContact CB-CD1 4.38Å; L119-L162 HydrophobicContact CD1-CB 4.34Å; V122-L162 HydrophobicContact CG2-CD1 3.74Å; I158-L162 HydrophobicContact CG2-CD1 4.15Å; I158-L162 WeakPolarHBondContact O-CG 3.15Å; I158-L162 PolarHBondContact O-N 3.37Å; H159-L162 PolarHBondContact O-N 2.7Å; L162-N165 WeakPolarHBondContact CA-O 3.4Å; L162-A168 HydrophobicContact CD2-CB 4.47Å; L162-F170 HydrophobicContact CD1-CE2 4.41Å; L162-F170 HydrophobicContact CD2-CE2 3.9Å; L162-F170 HydrophobicContact CD2-CZ 4.09Å; L162-F170 HydrophobicContact CG-CE2 4Å; L162-F170 HydrophobicContact CG-CZ 3.91Å
163	R	87.6	Confident	87.9	Confident	147 Å²	147	76.2 Å²	76.2	56%	0.555	39%	0.386	S	S	*	.	H	α-helix	trans	-76.3	-24.5	172.4	-77.9	178.4	169.3	178.8	-3.1	113.4	L119 E123 H159 Q160 L161	L119-R163 HydrophobicContact CD1-CG 3.68Å; E123-R163 IonicContact OE1-NH2 2.66Å; H159-R163 PolarHBondContact CE1-NH2 3.3Å; H159-R163 WeakPolarHBondContact O-CG 3.46Å; H159-R163 PolarHBondContact O-N 3.4Å; Q160-R163 PolarHBondContact O-N 3.03Å; L161-R163 PolarHBondContact O-N 3.04Å
164	T	86.2	Confident	87.7	Confident	106 Å²	106	73.6 Å²	73.6	65%	0.65	36%	0.364	S	S	*	.	H	α-helix	trans	-97.1	-29.7	176.3	47.8	0	0	0	0	113.3	Q160 L161	Q160-T164 PolarHBondContact O-N 2.63Å; Q160-T164 PolarHBondContact O-OG1 3.08Å; L161-T164 PolarHBondContact O-N 3.04Å; L161-T164 VanDerWaalsContact O-N 3.1Å; L161-T164 PolarHBondContact O-OG1 2.72Å
165	N	83.1	Confident	87.5	Confident	89 Å²	89	74.9 Å²	74.9	48%	0.476	38%	0.378	S	S	.	.			trans	-145	106	178.7	-178.7	-12.3	0	0	0	109.8	L161 L162 D167 A168	L161-N165 PolarHBondContact O-N 2.68Å; L162-N165 WeakPolarHBondContact CA-O 3.4Å; N165-D167 VanDerWaalsContact C-N 3.28Å; N165-D167 PolarHBondContact O-N 3.22Å; N165-D167 PolarHBondContact OD1-N 2.99Å; N165-D167 VanDerWaalsContact OD1-N 3.13Å; N165-A168 HydrophobicContact CB-CB 4.4Å; N165-A168 WeakPolarHBondContact O-CB 3.37Å; N165-A168 PolarHBondContact O-N 3.42Å; N165-A168 PolarHBondContact OD1-N 3.45Å
166	C	78.7	Confident	87.2	Confident	101 Å²	101	79.4 Å²	79.4	68%	0.682	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-17.9	-175	53.8	0	0	0	0	114.8
167	D	78	Confident	86.9	Confident	108 Å²	108	75.2 Å²	75.2	58%	0.578	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	10.3	-179.1	-77.5	-57.3	0	0	0	113.3	N165	N165-D167 VanDerWaalsContact C-N 3.28Å; N165-D167 PolarHBondContact O-N 3.22Å; N165-D167 PolarHBondContact OD1-N 2.99Å; N165-D167 VanDerWaalsContact OD1-N 3.13Å
168	A	80.4	Confident	86.3	Confident	21 Å²	21	74.4 Å²	74.4	17%	0.174	40%	0.4	C	S	.	.			trans	-58.3	137.4	179.1	0	0	0	0	0	112.9	L162 N165 F170	L162-A168 HydrophobicContact CD2-CB 4.47Å; N165-A168 HydrophobicContact CB-CB 4.4Å; N165-A168 WeakPolarHBondContact O-CB 3.37Å; N165-A168 PolarHBondContact O-N 3.42Å; N165-A168 PolarHBondContact OD1-N 3.45Å; A168-F170 HydrophobicContact CB-CE1 4.34Å; A168-F170 HydrophobicContact CB-CE2 4.05Å; A168-F170 HydrophobicContact CB-CZ 3.65Å; A168-F170 VanDerWaalsContact O-CE2 3.29Å; A168-F170 WeakPolarHBondContact O-CE2 3.39Å
169	T	83.7	Confident	85.2	Confident	73 Å²	73	76.3 Å²	76.3	45%	0.448	41%	0.411	S	S	.	.			trans	-111.1	136.7	177	56.2	0	0	0	0	110.7	R116	R116-T169 HydrophobicContact CG-CG2 3.87Å
170	F	87.1	Confident	83.7	Confident	21 Å²	21	85.9 Å²	85.9	9%	0.092	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-116.9	136.1	-172.5	-53.8	-84.8	0	0	0	111.2	G114 M115 I117 I158 L161 L162 A168 V173	G114-F170 CarbonylContact C-O 3.43Å; G114-F170 WeakPolarHBondContact CA-O 3.4Å; M115-F170 PolarHBondContact N-O 3.07Å; M115-F170 PolarHBondContact O-N 3.09Å; I117-F170 HydrophobicContact CG2-CD2 4.01Å; I117-F170 HydrophobicContact CG2-CE2 4.17Å; I158-F170 HydrophobicContact CB-CD1 4.49Å; I158-F170 HydrophobicContact CB-CE1 4.26Å; I158-F170 HydrophobicContact CG1-CD1 3.87Å; I158-F170 HydrophobicContact CG1-CE1 4.09Å; I158-F170 HydrophobicContact CG1-CG 4.32Å; I158-F170 HydrophobicContact CG2-CD1 4.22Å; I158-F170 HydrophobicContact CG2-CD2 4.1Å; I158-F170 HydrophobicContact CG2-CE1 3.94Å; I158-F170 HydrophobicContact CG2-CE2 3.83Å; I158-F170 HydrophobicContact CG2-CG 4.3Å; I158-F170 HydrophobicContact CG2-CZ 3.75Å; L161-F170 HydrophobicContact CB-CE1 3.94Å; L161-F170 HydrophobicContact CB-CZ 4.16Å; L161-F170 HydrophobicContact CD1-CE1 3.86Å; L162-F170 HydrophobicContact CD1-CE2 4.41Å; L162-F170 HydrophobicContact CD2-CE2 3.9Å; L162-F170 HydrophobicContact CD2-CZ 4.09Å; L162-F170 HydrophobicContact CG-CE2 4Å; L162-F170 HydrophobicContact CG-CZ 3.91Å; A168-F170 HydrophobicContact CB-CE1 4.34Å; A168-F170 HydrophobicContact CB-CE2 4.05Å; A168-F170 HydrophobicContact CB-CZ 3.65Å; A168-F170 VanDerWaalsContact O-CE2 3.29Å; A168-F170 WeakPolarHBondContact O-CE2 3.39Å; F170-V173 HydrophobicContact CB-CG2 3.82Å
171	E	82.4	Confident	81.7	Confident	203 Å²	203	85.7 Å²	85.7	95%	0.949	46%	0.458	S	S	*	.	S	Bend	trans	-70.1	-35	176.8	-61.9	-166.6	135.4	0	0	112.4
172	F	87.8	Confident	79.2	Confident	135 Å²	135	86.2 Å²	86.2	59%	0.592	48%	0.482	S	S	*	.			trans	-133.4	135.6	178	-179.8	-102.4	0	0	0	110.4	P174	F172-P174 HydrophobicContact CE1-CG 3.94Å
173	V	89	Confident	76.6	Confident	15 Å²	15	88.9 Å²	88.9	9%	0.091	51%	0.512	C	S	.	.			trans	-133.3	119.3	174.1	-172.5	0	0	0	0	108.1	M115 I117 I158 F170	M115-V173 HydrophobicContact CB-CG2 4.42Å; M115-V173 HydrophobicContact CG-CG2 4.48Å; M115-V173 HydrophobicContact SD-CG2 4.36Å; I117-V173 HydrophobicContact CD1-CG1 3.76Å; I117-V173 HydrophobicContact CG2-CG1 4.39Å; I117-V173 HydrophobicContact CG2-CG2 4.34Å; I158-V173 HydrophobicContact CD1-CB 4.33Å; I158-V173 HydrophobicContact CD1-CG1 4.03Å; I158-V173 HydrophobicContact CD1-CG2 4.26Å; F170-V173 HydrophobicContact CB-CG2 3.82Å
174	P	90.2	Very high	73.9	Confident	4 Å²	4	88.1 Å²	88.1	3%	0.026	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-54.3	130.9	-178.1	-28.5	35.5	0	0	0	112.5	R125 Y129 E154 L155 F172	R125-P174 PolarHBondContact NH1-O 2.94Å; Y129-P174 WeakPolarHBondContact OH-CB 3.23Å; E154-P174 HydrophobicContact CB-CG 3.88Å; E154-P174 HydrophobicContact CG-CG 4.19Å; L155-P174 HydrophobicContact CD1-CB 4.37Å; L155-P174 HydrophobicContact CD2-CB 4.32Å; L155-P174 HydrophobicContact CD2-CG 4.32Å; L155-P174 HydrophobicContact CG-CB 4.06Å; L155-P174 HydrophobicContact CG-CG 3.99Å; F172-P174 HydrophobicContact CE1-CG 3.94Å
175	P	89.6	Confident	71.5	Confident	85 Å²	85	88.5 Å²	88.5	55%	0.552	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-65.9	151.1	-173.3	27.8	-35.9	0	0	0	111.5	Y129 V177	Y129-P175 WeakPolarHBondContact CE2-O 3.28Å; Y129-P175 PolarHBondContact OH-O 3.5Å; P175-V177 PolarHBondContact O-N 3.45Å
176	K	88.6	Confident	69.2	Low	95 Å²	95	90.6 Å²	90.6	41%	0.413	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-58	123.3	174.9	-64.1	-161.2	171.8	-168.1	0	110.1	E121 E124 R125	E121-K176 WeakPolarHBondContact OE1-CE 3.28Å; E121-K176 IonicContact OE1-NZ 3.88Å; E124-K176 WeakPolarHBondContact OE1-CE 3.37Å; E124-K176 IonicContact OE1-NZ 2.6Å; E124-K176 PolarHBondContact OE1-NZ 3.43Å; E124-K176 IonicContact OE2-NZ 3.44Å; E124-K176 PolarHBondContact OE2-NZ 2.88Å; R125-K176 HydrophobicContact CG-CG 3.85Å
177	V	88.2	Confident	67.1	Low	39 Å²	39	90.5 Å²	90.5	24%	0.236	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-83.2	130.7	170.8	174.9	0	0	0	0	108.7	Y129 A132 P175 V179	Y129-V177 HydrophobicContact CD1-CG2 4.33Å; Y129-V177 HydrophobicContact CD2-CB 4.3Å; Y129-V177 HydrophobicContact CD2-CG2 3.94Å; Y129-V177 HydrophobicContact CE1-CG2 3.91Å; Y129-V177 HydrophobicContact CE2-CB 4.21Å; Y129-V177 HydrophobicContact CE2-CG2 3.53Å; Y129-V177 HydrophobicContact CG-CG2 4.34Å; Y129-V177 VanDerWaalsContact CZ-CG2 3.5Å; A132-V177 HydrophobicContact CB-CB 4.44Å; A132-V177 HydrophobicContact CB-CG1 3.64Å; P175-V177 PolarHBondContact O-N 3.45Å; V177-V179 PolarHBondContact O-N 2.96Å
178	A	78.2	Confident	65.2	Low	95 Å²	95	91.6 Å²	91.6	79%	0.785	57%	0.569	S	S	*	*			trans	-79.6	101.7	175.9	0	0	0	0	0	110.3
179	V	70.7	Confident	63.1	Low	39 Å²	39	96.8 Å²	96.8	24%	0.236	59%	0.594	C	S	.	*			trans	-75.8	145.1	167.2	-172.8	0	0	0	0	109.1	N128 E131 V177 S181	N128-V179 HydrophobicContact CB-CG2 4.01Å; N128-V179 VanDerWaalsContact O-CG2 3.3Å; N128-V179 WeakPolarHBondContact O-CG2 3.49Å; E131-V179 HydrophobicContact CB-CG1 4.08Å; E131-V179 HydrophobicContact CB-CG2 3.91Å; V177-V179 PolarHBondContact O-N 2.96Å; V179-S181 PolarHBondContact O-N 3.46Å
180	R	60.6	Low	61	Low	227 Å²	227	101 Å²	101	86%	0.857	61%	0.608	S	S	*	*			trans	-76.4	70	177.8	-58.4	-178.2	87.5	-174	7.2	111.4	G182	R180-G182 PolarHBondContact O-N 3.47Å
181	S	47.5	Very low	58.6	Low	109 Å²	109	104.8 Å²	104.8	76%	0.762	64%	0.636	S	S	*	*			trans	-60.5	117.6	175	-173.8	0	0	0	0	110.8	V179 G183	V179-S181 PolarHBondContact O-N 3.46Å; S181-G183 VanDerWaalsContact C-N 3.32Å; S181-G183 PolarHBondContact O-N 2.99Å
182	G	35.9	Very low	56.5	Low	89 Å²	89	103 Å²	103	92%	0.918	63%	0.632	S	S	*	*			trans	-76.1	77.3	179.9	0	0	0	0	0	112.1	R180	R180-G182 PolarHBondContact O-N 3.47Å
183	G	35.8	Very low	54.1	Low	66 Å²	66	105.5 Å²	105.5	68%	0.68	64%	0.643	S	S	*	*			trans	-133.5	120.6	-179.3	0	0	0	0	0	112.7	S181	S181-G183 VanDerWaalsContact C-N 3.32Å; S181-G183 PolarHBondContact O-N 2.99Å
184	S	30.4	Very low	51.8	Low	130 Å²	130	111.5 Å²	111.5	91%	0.909	68%	0.679	S	S	*	*			trans	-80.7	120.8	177.9	175.1	0	0	0	0	111.8
185	S	36.8	Very low	49.5	Very low	115 Å²	115	115.6 Å²	115.6	80%	0.804	71%	0.708	S	S	*	*			trans	-154.9	150.5	154.1	-162.3	0	0	0	0	112.2
186	T	34.1	Very low	47.2	Very low	133 Å²	133	117.9 Å²	117.9	82%	0.816	72%	0.716	S	S	*	*			trans	-79.3	137.5	-162.4	51.1	0	0	0	0	115.9
187	A	35	Very low	45	Very low	99 Å²	99	120.1 Å²	120.1	82%	0.818	73%	0.731	S	S	*	*			trans	-161.2	148.9	137.1	0	0	0	0	0	112.1
188	V	37.5	Very low	42.6	Very low	130 Å²	130	126.2 Å²	126.2	79%	0.788	76%	0.757	S	S	*	*			trans	-49.5	158.3	175.3	-76.7	0	0	0	0	115.6
189	D	36.8	Very low	40.9	Very low	131 Å²	131	127.3 Å²	127.3	70%	0.701	76%	0.756	S	S	*	*			cis	-153.3	165.6	19.7	-136.9	-35.5	0	0	0	116.4
190	H	39.2	Very low	39.4	Very low	161 Å²	161	131.7 Å²	131.7	75%	0.745	78%	0.783	S	S	*	*			trans	53.5	95.4	157.6	-92.2	63	0	0	0	123.2
191	C	35.4	Very low	38.4	Very low	101 Å²	101	127.1 Å²	127.1	68%	0.682	78%	0.78	S	S	*	*				67.2	107.5	113.7	-155.1	0	0	0	0	120.8
192	L	39.9	Very low	37.9	Very low	166 Å²	166	130.7 Å²	130.7	87%	0.869	79%	0.785	S	S	*	*				-157.8	157	95	-98.7	169.7	0	0	0	110.9
193	K	36.9	Very low	38.2	Very low	186 Å²	186	134.5 Å²	134.5	81%	0.809	78%	0.784	S	S	*	*			trans	-120.7	153.5	-174.5	-79.2	-176.7	174.4	-179.3	0	111.4
194	V	41.3	Very low	38.4	Very low	142 Å²	142	135.4 Å²	135.4	86%	0.861	79%	0.786	S	S	*	*				-169.3	152.7	103.9	149.6	0	0	0	0	108.9
195	S	41.6	Very low	39	Very low	89 Å²	89	135.1 Å²	135.1	62%	0.622	78%	0.781	S	S	*	*			trans	-111.6	163.3	-168.6	-56.1	0	0	0	0	111.7
196	D	40.9	Very low	39.2	Very low	134 Å²	134	134.8 Å²	134.8	72%	0.717	78%	0.778	S	S	*	*				179.3	126.8	100	-87.7	-25.5	0	0	0	115.1
197	L	41.2	Very low	39.8	Very low	141 Å²	141	133.5 Å²	133.5	74%	0.738	77%	0.772	S	S	*	*				45.7	146.9	126.3	-51.5	173.3	0	0	0	122.4
198	Q	39.2	Very low	40	Very low	167 Å²	167	136.9 Å²	136.9	78%	0.78	78%	0.776	S	S	*	*			cis	-170.8	145.4	-27.3	-157.6	171.1	0.3	0	0	109.1
199	P	41.4	Very low	40	Very low	118 Å²	118	134.9 Å²	134.9	77%	0.766	77%	0.773	S	S	*	*			trans	-109.7	148.4	-176.7	38.5	-32.6	0	0	0	116.2
200	V	39.5	Very low	40.1	Very low	131 Å²	131	135.6 Å²	135.6	79%	0.794	78%	0.781	S	S	*	*			trans	-160	138.7	-179.4	167.5	0	0	0	0	107.7
201	T	39.6	Very low	40	Very low	132 Å²	132	132.7 Å²	132.7	81%	0.81	79%	0.785	S	S	*	*			cis	-155.5	-179.4	-16.4	28	0	0	0	0	108.5
202	E	37	Very low	40.1	Very low	183 Å²	183	133.9 Å²	133.9	86%	0.855	80%	0.795	S	S	*	*			trans	-83.2	160.5	179.5	-58.8	160.7	107	0	0	114.4
203	D	42	Very low	40.1	Very low	170 Å²	170	129.8 Å²	129.8	91%	0.909	79%	0.792	S	S	*	*				-170.9	164.9	122.1	-121.3	-38.2	0	0	0	113.6
204	A	39.9	Very low	40.3	Very low	85 Å²	85	126.7 Å²	126.7	70%	0.702	79%	0.789	S	S	*	*			trans	-132.7	-174.1	-176.2	0	0	0	0	0	111.3
205	P	44.4	Very low	40.2	Very low	124 Å²	124	128.1 Å²	128.1	81%	0.805	79%	0.79	S	S	*	*			cis	-139.8	-165.7	5.2	44.1	-23.1	0	0	0	116.9
206	S	40.3	Very low	40	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	79%	0.789	S	S	*	*			trans	-65.5	-171.9	-179.2	-30.7	0	0	0	0	116.3
207	P	46.4	Very low	39.9	Very low	106 Å²	106	130 Å²	130	69%	0.688	80%	0.796	S	S	*	*			cis	-141.8	-173	-0.6	37.2	-14.3	0	0	0	117.5
208	L	38.8	Very low	39.8	Very low	170 Å²	170	128 Å²	128	89%	0.89	80%	0.801	S	S	*	*			trans	74.4	146.7	164.4	-54.8	179.5	0	0	0	116.9
209	A	37.8	Very low	39.7	Very low	88 Å²	88	127.5 Å²	127.5	73%	0.727	80%	0.8	S	S	*	*			cis	-152.4	155.3	-1.4	0	0	0	0	0	113.7
210	V	38.5	Very low	39.6	Very low	145 Å²	145	130.2 Å²	130.2	88%	0.879	80%	0.803	S	S	*	*			trans	27.9	116	148.1	-173.6	0	0	0	0	121
211	A	37.4	Very low	39.9	Very low	101 Å²	101	131.2 Å²	131.2	84%	0.835	80%	0.804	S	S	*	*			trans	-160.2	156.8	135.9	0	0	0	0	0	110.9
212	S	38.8	Very low	40.2	Very low	126 Å²	126	128.5 Å²	128.5	88%	0.881	79%	0.794	S	S	*	*			trans	-98.4	152.6	-175.1	-55	0	0	0	0	113.6
213	G	39.6	Very low	40.5	Very low	79 Å²	79	124.8 Å²	124.8	81%	0.814	78%	0.78	S	S	*	*			trans	-173.1	80	174.8	0	0	0	0	0	113.8
214	T	41.5	Very low	40.8	Very low	121 Å²	121	121.4 Å²	121.4	74%	0.742	77%	0.766	S	S	*	*			trans	-78.1	144.2	-179.4	-33.1	0	0	0	0	112.6	V216	T214-V216 HydrophobicContact CG2-CG2 4.27Å
215	I	39.1	Very low	41.3	Very low	172 Å²	172	122.5 Å²	122.5	88%	0.882	76%	0.764	S	S	*	*			trans	-153.9	153.4	142.8	-103.2	151.5	0	0	0	107.9
216	V	37.5	Very low	41.6	Very low	97 Å²	97	123.7 Å²	123.7	59%	0.588	76%	0.758	S	S	*	*			trans	-125	139.5	-168.3	179.4	0	0	0	0	108.9	T214	T214-V216 HydrophobicContact CG2-CG2 4.27Å
217	D	37.8	Very low	42	Very low	165 Å²	165	125.5 Å²	125.5	88%	0.882	76%	0.755	S	S	*	*			trans	179.5	104.7	138.3	-95.6	-27.3	0	0	0	112.1
218	A	38.5	Very low	42.3	Very low	100 Å²	100	127.5 Å²	127.5	83%	0.826	76%	0.757	S	S	*	*			trans	-165.2	30	165.1	0	0	0	0	0	112.5
219	M	36.8	Very low	43.3	Very low	156 Å²	156	122.5 Å²	122.5	77%	0.768	74%	0.736	S	S	*	*			trans	-112.7	88.5	-179.2	-80.8	-177.3	63.3	0	0	111.5
220	Q	40.9	Very low	43.9	Very low	176 Å²	176	124.1 Å²	124.1	82%	0.822	73%	0.729	S	S	*	*			trans	-159	129.2	164.6	-100.3	145.7	34.9	0	0	107.4
221	N	44.8	Very low	44.6	Very low	152 Å²	152	124.4 Å²	124.4	81%	0.813	72%	0.721	S	S	*	*	S	Bend	trans	117	-3.3	176.5	-61.9	-23.1	0	0	0	117.4
222	A	45.7	Very low	45.3	Very low	74 Å²	74	122.2 Å²	122.2	61%	0.612	70%	0.703	S	S	*	*	S	Bend	trans	-86.8	-46.1	177.4	0	0	0	0	0	113.3	T224 V225	A222-T224 VanDerWaalsContact C-N 3.25Å; A222-T224 PolarHBondContact O-N 2.93Å; A222-T224 VanDerWaalsContact O-N 3.11Å; A222-V225 PolarHBondContact O-N 3.36Å
223	D	44	Very low	46.2	Very low	105 Å²	105	120.4 Å²	120.4	56%	0.561	69%	0.686	S	S	*	*	H	α-helix	trans	-68.1	-17.9	-163.2	-49.8	-80.1	0	0	0	115
224	T	48.8	Very low	46.9	Very low	100 Å²	100	120.9 Å²	120.9	61%	0.613	67%	0.67	S	S	*	*	H	α-helix	trans	-78.7	-19.2	-178.5	-36	0	0	0	0	113.1	A222	A222-T224 VanDerWaalsContact C-N 3.25Å; A222-T224 PolarHBondContact O-N 2.93Å; A222-T224 VanDerWaalsContact O-N 3.11Å
225	V	50.7	Low	47.8	Very low	107 Å²	107	119.3 Å²	119.3	65%	0.648	66%	0.66	S	S	*	*	H	α-helix	trans	-87.2	-40.1	-176.3	-176.5	0	0	0	0	111.7	A222 Q227 M228 S229	A222-V225 PolarHBondContact O-N 3.36Å; V225-Q227 VanDerWaalsContact C-N 3.33Å; V225-Q227 PolarHBondContact O-N 3.03Å; V225-M228 PolarHBondContact O-N 3.17Å; V225-S229 PolarHBondContact O-N 3.38Å; V225-S229 PolarHBondContact O-OG 3.36Å
226	E	50.8	Low	48.6	Very low	149 Å²	149	117.5 Å²	117.5	70%	0.696	65%	0.648	S	S	*	*	H	α-helix	trans	-63	-37.5	177.5	-74.1	-161.9	144.1	0	0	112.5	M228 S229 Q230	E226-M228 VanDerWaalsContact C-N 3.34Å; E226-M228 PolarHBondContact O-N 3.44Å; E226-S229 WeakPolarHBondContact CA-OG 3.36Å; E226-S229 PolarHBondContact O-N 2.82Å; E226-S229 PolarHBondContact O-OG 3.06Å; E226-Q230 PolarHBondContact O-N 2.87Å; E226-Q230 VanDerWaalsContact O-N 3.09Å
227	Q	48.8	Very low	49.3	Very low	146 Å²	146	115.2 Å²	115.2	68%	0.682	64%	0.639	S	S	*	*	H	α-helix	trans	-62.7	-38.1	-179.8	-70	-169.9	-18.7	0	0	112.8	V225 Q230	V225-Q227 VanDerWaalsContact C-N 3.33Å; V225-Q227 PolarHBondContact O-N 3.03Å; Q227-Q230 PolarHBondContact O-N 3.15Å
228	M	51.6	Low	50.5	Low	148 Å²	148	113.7 Å²	113.7	73%	0.729	63%	0.625	S	S	*	*	H	α-helix	trans	-72.5	-31.2	177.6	-67.8	-170.5	69.5	0	0	113.1	V225 E226	V225-M228 PolarHBondContact O-N 3.17Å; E226-M228 VanDerWaalsContact C-N 3.34Å; E226-M228 PolarHBondContact O-N 3.44Å
229	S	58.9	Low	51.4	Low	66 Å²	66	116.1 Å²	116.1	46%	0.462	62%	0.619	S	S	.	*	H	α-helix	trans	-71.3	-31.6	173	41.6	0	0	0	0	113.1	V225 E226 V233	V225-S229 PolarHBondContact O-N 3.38Å; V225-S229 PolarHBondContact O-OG 3.36Å; E226-S229 WeakPolarHBondContact CA-OG 3.36Å; E226-S229 PolarHBondContact O-N 2.82Å; E226-S229 PolarHBondContact O-OG 3.06Å; S229-V233 PolarHBondContact O-N 3.38Å
230	Q	50.8	Low	52.2	Low	121 Å²	121	113.8 Å²	113.8	57%	0.565	61%	0.609	S	S	*	*	H	α-helix	trans	-72.3	-41.1	-175.6	-154	67.8	51.1	0	0	112.6	E226 Q227 A232 V233 D234	E226-Q230 PolarHBondContact O-N 2.87Å; E226-Q230 VanDerWaalsContact O-N 3.09Å; Q227-Q230 PolarHBondContact O-N 3.15Å; Q230-A232 VanDerWaalsContact C-N 3.32Å; Q230-A232 PolarHBondContact O-N 3.4Å; Q230-V233 PolarHBondContact O-N 3.47Å; Q230-D234 PolarHBondContact O-N 2.92Å; Q230-D234 VanDerWaalsContact O-N 3.14Å
231	E	53.7	Low	52.9	Low	152 Å²	152	110.2 Å²	110.2	71%	0.71	60%	0.599	S	S	*	*	H	α-helix	trans	-67.2	-28.7	177.8	-73.1	-163.8	123.6	0	0	113.7	T235	E231-T235 PolarHBondContact O-N 3.35Å; E231-T235 VanDerWaalsContact O-N 3.09Å; E231-T235 PolarHBondContact O-OG1 2.9Å
232	A	53.2	Low	53.4	Low	55 Å²	55	106 Å²	106	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-66.1	-46.4	175.6	0	0	0	0	0	111.8	Q230 D234 T235 E236	Q230-A232 VanDerWaalsContact C-N 3.32Å; Q230-A232 PolarHBondContact O-N 3.4Å; A232-D234 VanDerWaalsContact C-N 3.33Å; A232-D234 PolarHBondContact O-N 2.96Å; A232-T235 WeakPolarHBondContact CA-OG1 3.31Å; A232-T235 PolarHBondContact O-N 3.14Å; A232-T235 PolarHBondContact O-OG1 3.42Å; A232-E236 PolarHBondContact O-N 3.16Å; A232-E236 VanDerWaalsContact O-N 3.12Å
233	V	55.9	Low	53.7	Low	87 Å²	87	106 Å²	106	53%	0.527	58%	0.581	S	S	.	*	H	α-helix	trans	-65.4	-39.3	177	-179.7	0	0	0	0	110.8	S229 Q230 T235 E236 A237	S229-V233 PolarHBondContact O-N 3.38Å; Q230-V233 PolarHBondContact O-N 3.47Å; V233-T235 VanDerWaalsContact C-N 3.26Å; V233-T235 PolarHBondContact O-N 3.3Å; V233-E236 PolarHBondContact O-N 3.36Å; V233-A237 VanDerWaalsContact O-CB 3.3Å; V233-A237 WeakPolarHBondContact O-CB 3.45Å; V233-A237 PolarHBondContact O-N 3.01Å
234	D	55.2	Low	54.1	Low	89 Å²	89	104.4 Å²	104.4	48%	0.476	58%	0.577	S	S	.	*	H	α-helix	trans	-70	-14.7	177.3	-101.6	20.8	0	0	0	114.6	Q230 A232 K238	Q230-D234 PolarHBondContact O-N 2.92Å; Q230-D234 VanDerWaalsContact O-N 3.14Å; A232-D234 VanDerWaalsContact C-N 3.33Å; A232-D234 PolarHBondContact O-N 2.96Å; D234-K238 WeakPolarHBondContact O-CD 3.44Å; D234-K238 VanDerWaalsContact O-CG 3.32Å; D234-K238 WeakPolarHBondContact O-CG 3.48Å; D234-K238 PolarHBondContact O-NZ 2.95Å
235	T	60.7	Low	54.3	Low	88 Å²	88	102 Å²	102	54%	0.54	57%	0.568	S	S	.	*	H	α-helix	trans	-91.2	-43.9	171.9	31	0	0	0	0	111.6	E231 A232 V233 A237 K238 Q239	E231-T235 PolarHBondContact O-N 3.35Å; E231-T235 VanDerWaalsContact O-N 3.09Å; E231-T235 PolarHBondContact O-OG1 2.9Å; A232-T235 WeakPolarHBondContact CA-OG1 3.31Å; A232-T235 PolarHBondContact O-N 3.14Å; A232-T235 PolarHBondContact O-OG1 3.42Å; V233-T235 VanDerWaalsContact C-N 3.26Å; V233-T235 PolarHBondContact O-N 3.3Å; T235-A237 PolarHBondContact O-N 3.02Å; T235-K238 PolarHBondContact O-N 2.99Å; T235-Q239 PolarHBondContact O-N 3.23Å; T235-Q239 VanDerWaalsContact O-N 3.16Å
236	E	55.4	Low	54.7	Low	134 Å²	134	104.4 Å²	104.4	63%	0.626	57%	0.57	S	S	*	*	H	α-helix	trans	-62.1	-41.9	176.3	-168.1	167.4	-149.7	0	0	112	A232 V233 K238 Q239 I240	A232-E236 PolarHBondContact O-N 3.16Å; A232-E236 VanDerWaalsContact O-N 3.12Å; V233-E236 PolarHBondContact O-N 3.36Å; E236-K238 VanDerWaalsContact C-N 3.3Å; E236-K238 PolarHBondContact O-N 2.85Å; E236-Q239 PolarHBondContact O-N 3.4Å; E236-Q239 VanDerWaalsContact O-N 3.09Å; E236-I240 HydrophobicContact CG-CD1 4.37Å; E236-I240 WeakPolarHBondContact O-CG1 3.39Å; E236-I240 PolarHBondContact O-N 3.02Å; E236-I240 VanDerWaalsContact O-N 3.08Å
237	A	52	Low	54.5	Low	50 Å²	50	100.3 Å²	100.3	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-59	-37.2	174.7	0	0	0	0	0	113.3	V233 T235 V241	V233-A237 VanDerWaalsContact O-CB 3.3Å; V233-A237 WeakPolarHBondContact O-CB 3.45Å; V233-A237 PolarHBondContact O-N 3.01Å; T235-A237 PolarHBondContact O-N 3.02Å; A237-V241 WeakPolarHBondContact O-CG2 3.34Å; A237-V241 PolarHBondContact O-N 3.4Å
238	K	62.6	Low	54.6	Low	133 Å²	133	99.7 Å²	99.7	58%	0.578	56%	0.558	S	S	*	*	H	α-helix	trans	-69.8	-34.6	176.1	-70.9	177.4	-172	103.4	0	111.9	D234 T235 E236 A242	D234-K238 WeakPolarHBondContact O-CD 3.44Å; D234-K238 VanDerWaalsContact O-CG 3.32Å; D234-K238 WeakPolarHBondContact O-CG 3.48Å; D234-K238 PolarHBondContact O-NZ 2.95Å; T235-K238 PolarHBondContact O-N 2.99Å; E236-K238 VanDerWaalsContact C-N 3.3Å; E236-K238 PolarHBondContact O-N 2.85Å; K238-A242 WeakPolarHBondContact O-CB 3.37Å; K238-A242 PolarHBondContact O-N 3.19Å
239	Q	57.1	Low	54.6	Low	150 Å²	150	99 Å²	99	70%	0.701	56%	0.557	S	S	*	*	H	α-helix	trans	-70.6	-35.9	179	-168.1	161.2	-14.2	0	0	112.2	T235 E236 A242 S243	T235-Q239 PolarHBondContact O-N 3.23Å; T235-Q239 VanDerWaalsContact O-N 3.16Å; E236-Q239 PolarHBondContact O-N 3.4Å; E236-Q239 VanDerWaalsContact O-N 3.09Å; Q239-A242 PolarHBondContact O-N 3.22Å; Q239-S243 PolarHBondContact O-N 2.92Å; Q239-S243 PolarHBondContact O-OG 2.95Å
240	I	54.4	Low	54.1	Low	107 Å²	107	101.5 Å²	101.5	55%	0.549	56%	0.564	S	S	.	*	H	α-helix	trans	-67.4	-41.5	174.3	-64.7	166.8	0	0	0	111.6	E236 A242 S243 S244	E236-I240 HydrophobicContact CG-CD1 4.37Å; E236-I240 WeakPolarHBondContact O-CG1 3.39Å; E236-I240 PolarHBondContact O-N 3.02Å; E236-I240 VanDerWaalsContact O-N 3.08Å; I240-A242 VanDerWaalsContact C-N 3.32Å; I240-A242 PolarHBondContact O-N 3.17Å; I240-S243 PolarHBondContact O-N 3.18Å; I240-S243 PolarHBondContact O-OG 3.18Å; I240-S244 PolarHBondContact O-N 3.36Å
241	V	56.6	Low	53.8	Low	102 Å²	102	98.7 Å²	98.7	62%	0.618	56%	0.562	S	S	*	*	H	α-helix	trans	-64.4	-38.3	174.5	173.3	0	0	0	0	111.3	A237 S244 A245	A237-V241 WeakPolarHBondContact O-CG2 3.34Å; A237-V241 PolarHBondContact O-N 3.4Å; V241-S244 PolarHBondContact O-N 3.41Å; V241-A245 PolarHBondContact O-N 3.35Å; V241-A245 VanDerWaalsContact O-N 3.13Å
242	A	54	Low	53.7	Low	64 Å²	64	98.1 Å²	98.1	53%	0.529	56%	0.564	S	S	.	*	H	α-helix	trans	-67.9	-31.8	177.7	0	0	0	0	0	113.7	K238 Q239 I240	K238-A242 WeakPolarHBondContact O-CB 3.37Å; K238-A242 PolarHBondContact O-N 3.19Å; Q239-A242 PolarHBondContact O-N 3.22Å; I240-A242 VanDerWaalsContact C-N 3.32Å; I240-A242 PolarHBondContact O-N 3.17Å
243	S	53.2	Low	53.5	Low	74 Å²	74	99 Å²	99	52%	0.517	57%	0.571	S	S	.	*	H	α-helix	trans	-75.3	-38.3	172.6	55.7	0	0	0	0	112.3	Q239 I240 K246 A247	Q239-S243 PolarHBondContact O-N 2.92Å; Q239-S243 PolarHBondContact O-OG 2.95Å; I240-S243 PolarHBondContact O-N 3.18Å; I240-S243 PolarHBondContact O-OG 3.18Å; S243-K246 PolarHBondContact O-N 2.6Å; S243-A247 PolarHBondContact O-N 3.17Å
244	S	52.1	Low	53.1	Low	70 Å²	70	101.7 Å²	101.7	49%	0.49	58%	0.582	S	S	.	*	H	α-helix	trans	-58.4	-51.3	175.8	-170	0	0	0	0	112.4	I240 V241 K246 A247 E248	I240-S244 PolarHBondContact O-N 3.36Å; V241-S244 PolarHBondContact O-N 3.41Å; S244-K246 PolarHBondContact O-N 3.14Å; S244-K246 VanDerWaalsContact O-N 3.12Å; S244-A247 WeakPolarHBondContact O-CB 3.46Å; S244-A247 PolarHBondContact O-N 2.88Å; S244-E248 PolarHBondContact O-N 3.01Å
245	A	53.3	Low	52.5	Low	51 Å²	51	105.2 Å²	105.2	42%	0.421	60%	0.6	S	S	.	*	H	α-helix	trans	-62.4	-22.1	179.3	0	0	0	0	0	113.2	V241 L249	V241-A245 PolarHBondContact O-N 3.35Å; V241-A245 VanDerWaalsContact O-N 3.13Å; A245-L249 PolarHBondContact O-N 3.17Å
246	K	57.6	Low	51.3	Low	157 Å²	157	103.8 Å²	103.8	68%	0.683	60%	0.603	S	S	*	*	H	α-helix	trans	-84.3	-16.4	176.9	-152.2	173.9	-173.5	-179.5	0	113.1	S243 S244	S243-K246 PolarHBondContact O-N 2.6Å; S244-K246 PolarHBondContact O-N 3.14Å; S244-K246 VanDerWaalsContact O-N 3.12Å
247	A	46.7	Very low	50.6	Low	62 Å²	62	106 Å²	106	51%	0.512	61%	0.613	S	S	.	*	H	α-helix	trans	-82.8	-43.6	171.3	0	0	0	0	0	111.6	S243 S244 L249 L250 A251	S243-A247 PolarHBondContact O-N 3.17Å; S244-A247 WeakPolarHBondContact O-CB 3.46Å; S244-A247 PolarHBondContact O-N 2.88Å; A247-L249 PolarHBondContact O-N 3.01Å; A247-L250 PolarHBondContact O-N 2.95Å; A247-A251 PolarHBondContact O-N 3.02Å
248	E	51.3	Low	49.9	Very low	134 Å²	134	109.4 Å²	109.4	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-59.8	-43.7	176.6	-68.8	-177.4	122.4	0	0	111.7	S244 L250 A251 D252	S244-E248 PolarHBondContact O-N 3.01Å; E248-L250 PolarHBondContact O-N 2.85Å; E248-L250 VanDerWaalsContact O-N 3.13Å; E248-A251 PolarHBondContact O-N 3.36Å; E248-D252 PolarHBondContact O-N 3.21Å
249	L	50.8	Low	48.7	Very low	132 Å²	132	109 Å²	109	69%	0.691	63%	0.633	S	S	*	*	H	α-helix	trans	-64.9	-12.6	175.3	-87.3	168.4	0	0	0	115.2	A245 A247	A245-L249 PolarHBondContact O-N 3.17Å; A247-L249 PolarHBondContact O-N 3.01Å
250	L	49.7	Very low	47.8	Very low	119 Å²	119	107.8 Å²	107.8	62%	0.623	64%	0.638	S	S	*	*	H	α-helix	trans	-94.5	-18.9	171.5	-81.6	169.4	0	0	0	113	A247 E248	A247-L250 PolarHBondContact O-N 2.95Å; E248-L250 PolarHBondContact O-N 2.85Å; E248-L250 VanDerWaalsContact O-N 3.13Å
251	A	44.2	Very low	47	Very low	62 Å²	62	109.4 Å²	109.4	51%	0.512	65%	0.653	S	S	.	*	H	α-helix	trans	-76.6	-48.2	175.8	0	0	0	0	0	111.6	A247 E248 A253 L254	A247-A251 PolarHBondContact O-N 3.02Å; E248-A251 PolarHBondContact O-N 3.36Å; A251-A253 PolarHBondContact O-N 3.11Å; A251-L254 PolarHBondContact O-N 3.44Å
252	D	50.7	Low	46.1	Very low	140 Å²	140	110 Å²	110	75%	0.749	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-63.4	-22.7	178.7	-80	-22.8	0	0	0	113.1	E248 L254	E248-D252 PolarHBondContact O-N 3.21Å; D252-L254 VanDerWaalsContact C-N 3.27Å; D252-L254 PolarHBondContact O-N 2.99Å
253	A	49.6	Very low	45.5	Very low	74 Å²	74	111.3 Å²	111.3	61%	0.612	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-74	-9.8	-179.9	0	0	0	0	0	114.6	A251	A251-A253 PolarHBondContact O-N 3.11Å
254	L	48.6	Very low	44.7	Very low	144 Å²	144	117.5 Å²	117.5	75%	0.754	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-106.2	4.7	-173	-68	175.2	0	0	0	114.8	A251 D252	A251-L254 PolarHBondContact O-N 3.44Å; D252-L254 VanDerWaalsContact C-N 3.27Å; D252-L254 PolarHBondContact O-N 2.99Å
255	L	42.1	Very low	44	Very low	163 Å²	163	118.3 Å²	118.3	85%	0.853	70%	0.695	S	S	*	*	S	Bend	trans	-120.6	54.6	178.7	-66.9	176.7	0	0	0	112.3
256	G	35.2	Very low	43.2	Very low	58 Å²	58	120.9 Å²	120.9	60%	0.598	72%	0.716	S	S	*	*			trans	-126.6	134.3	178.5	0	0	0	0	0	113.8
257	E	40	Very low	42.4	Very low	180 Å²	180	117.3 Å²	117.3	84%	0.841	72%	0.716	S	S	*	*			trans	66	146.9	175.8	-34.8	-161.6	141.3	0	0	116.3
258	N	38.2	Very low	42	Very low	121 Å²	121	121.3 Å²	121.3	65%	0.647	73%	0.734	S	S	*	*			cis	-158.2	154.4	32	-123.3	-52.3	0	0	0	115.5
259	T	37.3	Very low	41.6	Very low	126 Å²	126	118.6 Å²	118.6	77%	0.773	74%	0.742	S	S	*	*			trans	67.7	130.3	156.2	61	0	0	0	0	123.5
260	P	38.1	Very low	41.3	Very low	124 Å²	124	120.5 Å²	120.5	81%	0.805	75%	0.745	S	S	*	*			trans	-124.4	161.1	170.9	41.5	-30.7	0	0	0	115.9
261	V	38.2	Very low	40.9	Very low	141 Å²	141	121 Å²	121	86%	0.855	74%	0.744	S	S	*	*			trans	-147.8	130.5	169.8	-179.4	0	0	0	0	113.3
262	S	37.2	Very low	40.9	Very low	115 Å²	115	125.6 Å²	125.6	80%	0.804	75%	0.753	S	S	*	*			trans	22.2	149.8	151.5	-106.3	0	0	0	0	122.9
263	S	41.3	Very low	40.5	Very low	91 Å²	91	126.5 Å²	126.5	64%	0.636	76%	0.757	S	S	*	*			cis	-169.4	160.2	12.8	65.9	0	0	0	0	113.7
264	K	36.9	Very low	39.8	Very low	204 Å²	204	128.6 Å²	128.6	89%	0.887	77%	0.767	S	S	*	*			trans	48.5	145.2	143.8	-75.4	-179	176.8	174	0	121.3
265	A	37.3	Very low	39.3	Very low	86 Å²	86	126.6 Å²	126.6	71%	0.711	77%	0.765	S	S	*	*			cis	-169.1	162.8	-4.5	0	0	0	0	0	113.1
266	A	36.5	Very low	38.8	Very low	105 Å²	105	125.1 Å²	125.1	87%	0.868	76%	0.762	S	S	*	*			trans	68.8	152.2	158.7	0	0	0	0	0	118.4
267	A	41	Very low	38.8	Very low	83 Å²	83	128.7 Å²	128.7	69%	0.686	77%	0.772	S	S	*	*			cis	-145.4	139.3	6.7	0	0	0	0	0	115
268	T	38.5	Very low	38.3	Very low	145 Å²	145	124 Å²	124	89%	0.89	76%	0.764	S	S	*	*			trans	25.6	127.6	147.3	56	0	0	0	0	122.6
269	G	42.5	Very low	38.2	Very low	77 Å²	77	123.9 Å²	123.9	79%	0.794	77%	0.768	S	S	*	*			trans	-160.2	20.5	177.7	0	0	0	0	0	122.3
270	K	44.2	Very low	38.2	Very low	173 Å²	173	126.5 Å²	126.5	75%	0.752	77%	0.771	S	S	*	*			trans	62.3	121.2	165.4	-90	-166.7	178.1	-126.4	0	120.3
271	E	41.5	Very low	38	Very low	129 Å²	129	129 Å²	129	60%	0.603	77%	0.772	S	S	*	*				70.9	127.1	109.1	-81.8	-179.5	-125.9	0	0	116.2
272	K	44.4	Very low	37.9	Very low	159 Å²	159	131.9 Å²	131.9	69%	0.691	78%	0.776	S	S	*	*			cis	-153.7	164.9	15.3	-52.6	-178.1	174.9	172.7	0	112.5
273	N	41.7	Very low	37.8	Very low	158 Å²	158	131.6 Å²	131.6	85%	0.845	77%	0.765	S	S	*	*			trans	32.9	153.5	136.8	-65.6	24.6	0	0	0	121.3
274	C	34.5	Very low	37.4	Very low	119 Å²	119	134 Å²	134	80%	0.804	78%	0.78	S	S	*	*			cis	-176.9	160.3	-16	-155.9	0	0	0	0	103.5
275	S	39.3	Very low	37.3	Very low	102 Å²	102	131.3 Å²	131.3	71%	0.713	77%	0.771	S	S	*	*			cis	-162.6	155	28.1	51.1	0	0	0	0	111.6
276	T	30.7	Very low	37.4	Very low	131 Å²	131	135.3 Å²	135.3	80%	0.804	78%	0.775	S	S	*	*			trans	-73.6	145.1	174.3	-49.1	0	0	0	0	113.4
277	V	36.1	Very low	37.7	Very low	133 Å²	133	134.8 Å²	134.8	81%	0.806	76%	0.763	S	S	*	*			trans	-136.7	135.2	150	-176.7	0	0	0	0	107.2
278	A	29	Very low	37.5	Very low	81 Å²	81	134.8 Å²	134.8	67%	0.669	76%	0.762	S	S	*	*			trans	-102.8	-142.5	176.6	0	0	0	0	0	110
279	V	35.9	Very low	37.4	Very low	120 Å²	120	136.5 Å²	136.5	73%	0.727	76%	0.757	S	S	*	*			trans	79.8	122.5	-174.8	-173.9	0	0	0	0	111.3
280	E	37.6	Very low	37.1	Very low	181 Å²	181	140.1 Å²	140.1	85%	0.846	76%	0.755	S	S	*	*			cis	-145.7	157.1	3.5	-132.7	147.2	-152.1	0	0	110.8
281	E	34.2	Very low	36.8	Very low	177 Å²	177	138 Å²	138	83%	0.827	75%	0.753	S	S	*	*			trans	-95.1	147.3	168.1	-64	169.4	120.3	0	0	109.2
282	E	35.5	Very low	36.3	Very low	201 Å²	201	137.3 Å²	137.3	94%	0.939	76%	0.761	S	S	*	*			trans	-132.2	139	150.8	-166.7	167.8	-148.9	0	0	109.2
283	L	36.2	Very low	35.8	Very low	109 Å²	109	134.9 Å²	134.9	57%	0.571	77%	0.77	S	S	*	*			trans	-127.6	135.7	-157	-155.2	78.3	0	0	0	109.5	E285	L283-E285 VanDerWaalsContact CD2-CD 3.46Å; L283-E285 HydrophobicContact CD2-CG 3.65Å; L283-E285 HydrophobicContact CG-CG 3.92Å
284	C	32.2	Very low	35.4	Very low	140 Å²	140	131 Å²	131	95%	0.946	77%	0.767	S	S	*	*			trans	-135.2	96.4	168.5	-89.1	0	0	0	0	109.1
285	E	35.6	Very low	35.4	Very low	148 Å²	148	134.1 Å²	134.1	69%	0.692	77%	0.77	S	S	*	*			trans	-91	156.7	-173.8	-77.9	178.8	124.9	0	0	114.1	L283	L283-E285 VanDerWaalsContact CD2-CD 3.46Å; L283-E285 HydrophobicContact CD2-CG 3.65Å; L283-E285 HydrophobicContact CG-CG 3.92Å
286	E	39.3	Very low	35.1	Very low	170 Å²	170	137.3 Å²	137.3	79%	0.794	78%	0.779	S	S	*	*			trans	68.3	164.4	139	-81.4	-134.1	119.8	0	0	120.9
287	P	42	Very low	35.4	Very low	95 Å²	95	138 Å²	138	62%	0.617	78%	0.776	S	S	*	*			cis	-142.6	171.2	-48.7	39.6	-23	0	0	0	116.4
288	A	36.8	Very low	35.2	Very low	82 Å²	82	136 Å²	136	68%	0.678	77%	0.768	S	S	*	*			trans	-1.5	141.7	152.2	0	0	0	0	0	122
289	K	37.3	Very low	35.6	Very low	181 Å²	181	140.2 Å²	140.2	79%	0.787	78%	0.778	S	S	*	*				173.9	141.5	109.9	-94.7	159.3	-169.9	169.2	0	114.2
290	M	36.3	Very low	35.5	Very low	153 Å²	153	138.4 Å²	138.4	75%	0.754	77%	0.771	S	S	*	*			trans	62.9	149.1	145	-62.6	164.3	76.4	0	0	118
291	D	37	Very low	35.3	Very low	130 Å²	130	135.5 Å²	135.5	70%	0.695	76%	0.762	S	S	*	*			cis	-154.3	178.2	-11.4	-115.7	-23.9	0	0	0	112.2
292	C	30.5	Very low	35.5	Very low	114 Å²	114	135 Å²	135	77%	0.77	76%	0.759	S	S	*	*			trans	-41.8	158.7	-174.6	-53.7	0	0	0	0	120.8
293	A	35.4	Very low	35.8	Very low	108 Å²	108	132 Å²	132	89%	0.893	75%	0.754	S	S	*	*			trans	73.2	149.4	161.5	0	0	0	0	0	117.9
294	G	31.9	Very low	36.2	Very low	75 Å²	75	129.8 Å²	129.8	77%	0.773	75%	0.752	S	S	*	*			cis	145.4	80.7	-8.8	0	0	0	0	0	114.1
295	E	35.4	Very low	36.6	Very low	185 Å²	185	129.2 Å²	129.2	86%	0.864	74%	0.735	S	S	*	*			trans	-131	142.6	173.9	-88.8	-173.9	124.3	0	0	112.6
296	N	32.8	Very low	37	Very low	169 Å²	169	127.5 Å²	127.5	90%	0.904	73%	0.731	S	S	*	*			trans	-89.3	121.4	172.4	-75.1	-91.4	0	0	0	109.3
297	I	35.9	Very low	37.5	Very low	147 Å²	147	126.7 Å²	126.7	75%	0.754	73%	0.727	S	S	*	*			trans	-129.7	118.9	161.7	-57.2	-178.7	0	0	0	108.6
298	S	33.7	Very low	38	Very low	91 Å²	91	131.7 Å²	131.7	64%	0.636	73%	0.733	S	S	*	*			trans	-80.1	127.4	175.2	177	0	0	0	0	110.4	S300	S298-S300 PolarHBondContact OG-N 3.39Å; S298-S300 PolarHBondContact OG-OG 2.98Å
299	L	35.5	Very low	38.8	Very low	168 Å²	168	136.9 Å²	136.9	88%	0.88	74%	0.735	S	S	*	*			trans	-112.7	59	161.6	-72.5	176.1	0	0	0	110.2
300	S	35.3	Very low	39.5	Very low	82 Å²	82	136.3 Å²	136.3	57%	0.573	74%	0.736	S	S	*	*			trans	-82	149.9	153.5	-61.3	0	0	0	0	109.8	S298	S298-S300 PolarHBondContact OG-N 3.39Å; S298-S300 PolarHBondContact OG-OG 2.98Å
301	N	32.5	Very low	40.2	Very low	121 Å²	121	137.7 Å²	137.7	65%	0.647	74%	0.74	S	S	*	*			trans	80.9	83.9	177.1	-44	-71.4	0	0	0	117
302	E	39.5	Very low	40.9	Very low	167 Å²	167	142.1 Å²	142.1	78%	0.78	75%	0.747	S	S	*	*	S	Bend	trans	-138.8	-39.9	150.2	-121.9	174	144.7	0	0	113.3	A304 Q305	E302-A304 VanDerWaalsContact C-N 3.32Å; E302-A304 PolarHBondContact O-N 3.15Å; E302-Q305 PolarHBondContact O-N 2.81Å
303	V	41.2	Very low	41.7	Very low	137 Å²	137	145.2 Å²	145.2	83%	0.83	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-64.4	-33.4	177.5	-175.2	0	0	0	0	112.8	Q305	V303-Q305 PolarHBondContact O-N 2.94Å; V303-Q305 VanDerWaalsContact O-N 3.16Å
304	A	45	Very low	42.1	Very low	63 Å²	63	144.5 Å²	144.5	52%	0.521	74%	0.744	S	S	.	*	G	3₁₀ helix	trans	-77.9	8.8	-176.6	0	0	0	0	0	115.6	E302	E302-A304 VanDerWaalsContact C-N 3.32Å; E302-A304 PolarHBondContact O-N 3.15Å
305	Q	39.9	Very low	42.5	Very low	127 Å²	127	149.1 Å²	149.1	59%	0.593	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-106.7	-21.1	-177.9	-66.6	-162.1	5.3	0	0	115.4	E302 V303	E302-Q305 PolarHBondContact O-N 2.81Å; V303-Q305 PolarHBondContact O-N 2.94Å; V303-Q305 VanDerWaalsContact O-N 3.16Å
306	N	45	Very low	42.7	Very low	112 Å²	112	150.1 Å²	150.1	60%	0.599	76%	0.755	S	S	*	*	S	Bend	trans	-75.4	-44.6	-177	-83.6	-15.8	0	0	0	113.4	R308 R309	N306-R308 PolarHBondContact O-N 2.6Å; N306-R309 VanDerWaalsContact O-CB 3.23Å; N306-R309 WeakPolarHBondContact O-CB 3.45Å; N306-R309 PolarHBondContact O-N 3.44Å
307	E	49.5	Very low	43	Very low	154 Å²	154	145.6 Å²	145.6	72%	0.72	75%	0.748	S	S	*	*	H	α-helix	trans	-62.3	-28.2	-178.9	-61.1	-177	129.7	0	0	113.2	R309	E307-R309 PolarHBondContact O-N 3.43Å
308	R	51.1	Low	43.1	Very low	199 Å²	199	143.2 Å²	143.2	75%	0.751	75%	0.751	S	S	*	*	H	α-helix	trans	-77.2	-5.3	175.2	-68.7	-175.7	176.5	-178.3	1.1	113.9	N306	N306-R308 PolarHBondContact O-N 2.6Å
309	R	53.4	Low	43.3	Very low	191 Å²	191	143.7 Å²	143.7	72%	0.721	76%	0.76	S	S	*	*	H	α-helix	trans	-92.8	-33.6	-178.2	-148.3	169.2	-171.6	160	1.5	112.3	N306 E307	N306-R309 VanDerWaalsContact O-CB 3.23Å; N306-R309 WeakPolarHBondContact O-CB 3.45Å; N306-R309 PolarHBondContact O-N 3.44Å; E307-R309 PolarHBondContact O-N 3.43Å
310	E	52.5	Low	43.7	Very low	169 Å²	169	143.6 Å²	143.6	79%	0.79	76%	0.76	S	S	*	*	H	α-helix	trans	-75.1	-38.9	177	-61.8	-169.2	130	0	0	112.4	R312	E310-R312 PolarHBondContact O-N 3.49Å
311	Q	52	Low	44.1	Very low	182 Å²	182	146.2 Å²	146.2	85%	0.85	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	5.1	179.6	-63	-172.9	2.9	0	0	114.9
312	R	50	Low	44.6	Very low	224 Å²	224	150.9 Å²	150.9	85%	0.845	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	2.4	-177.1	-93.3	-174.6	167.6	-168.8	-4.4	115.6	E310	E310-R312 PolarHBondContact O-N 3.49Å
313	H	47.9	Very low	44.7	Very low	179 Å²	179	148.8 Å²	148.8	83%	0.829	77%	0.773	S	S	*	*	S	Bend	trans	-112.4	16.4	-171	-127.1	-66.4	0	0	0	116
314	A	43.3	Very low	44.7	Very low	92 Å²	92	149.3 Å²	149.3	76%	0.76	78%	0.776	S	S	*	*	S	Bend	trans	-133.4	35.9	-170.4	0	0	0	0	0	114.9
315	L	41.5	Very low	44.3	Very low	173 Å²	173	153.2 Å²	153.2	91%	0.906	79%	0.793	S	S	*	*			trans	-160.7	71.7	175.4	-123.8	165.8	0	0	0	114.5
316	E	40.2	Very low	44.1	Very low	205 Å²	205	150.2 Å²	150.2	96%	0.958	80%	0.796	S	S	*	*			trans	-152	134.9	163.1	-156.6	165.4	-157.9	0	0	111.1
317	G	37.9	Very low	43.9	Very low	74 Å²	74	153 Å²	153	76%	0.763	81%	0.808	S	S	*	*			trans	159.8	98.9	-175.4	0	0	0	0	0	113.7
318	A	38.5	Very low	43.5	Very low	98 Å²	98	153.1 Å²	153.1	81%	0.81	81%	0.812	S	S	*	*			trans	-43.9	140.3	-179.2	0	0	0	0	0	115
319	A	38.6	Very low	42.9	Very low	101 Å²	101	147.1 Å²	147.1	84%	0.835	81%	0.812	S	S	*	*			cis	78.2	112.2	42.4	0	0	0	0	0	115
320	D	43.6	Very low	42.3	Very low	166 Å²	166	146.1 Å²	146.1	89%	0.888	82%	0.821	S	S	*	*			trans	-153.8	163.4	152.7	-152.5	-13.5	0	0	0	109.7
321	E	42.2	Very low	41.7	Very low	137 Å²	137	142.6 Å²	142.6	64%	0.64	82%	0.821	S	S	*	*			trans	-113.5	156.3	-163.2	-58.6	-175.4	134	0	0	115.9
322	R	44.1	Very low	41.2	Very low	219 Å²	219	137.6 Å²	137.6	83%	0.826	82%	0.818	S	S	*	*				148.8	143.7	112.8	-71.9	-154.4	171.9	-170.4	-6.8	115.9
323	P	40.8	Very low	40.8	Very low	122 Å²	122	137.9 Å²	137.9	79%	0.792	82%	0.819	S	S	*	*			trans	-112.4	165.3	177.8	41.5	-34.1	0	0	0	115.1
324	V	41.9	Very low	40.4	Very low	148 Å²	148	136.1 Å²	136.1	90%	0.897	82%	0.815	S	S	*	*			trans	-143.3	157	166.5	-175.6	0	0	0	0	110.6
325	V	35.6	Very low	40.5	Very low	146 Å²	146	137.7 Å²	137.7	89%	0.885	82%	0.821	S	S	*	*			trans	-126.2	148.3	-168.8	170	0	0	0	0	112.9
326	G	37.5	Very low	40.4	Very low	64 Å²	64	134.7 Å²	134.7	66%	0.66	81%	0.809	S	S	*	*			trans	127.2	160.1	161.9	0	0	0	0	0	115.6
327	M	40.6	Very low	40.4	Very low	170 Å²	170	131.1 Å²	131.1	84%	0.837	81%	0.806	S	S	*	*			cis	-163.4	139	-7	-103.2	168.1	73	0	0	111.3
328	I	41.1	Very low	40.5	Very low	156 Å²	156	132.2 Å²	132.2	80%	0.8	80%	0.797	S	S	*	*			trans	46.4	129.8	139	-50.8	176	0	0	0	122.3
329	G	37.9	Very low	40.9	Very low	74 Å²	74	136.9 Å²	136.9	76%	0.763	80%	0.799	S	S	*	*			trans	98.1	156.4	147.4	0	0	0	0	0	117.2
330	D	40.4	Very low	41.1	Very low	170 Å²	170	142 Å²	142	91%	0.909	80%	0.803	S	S	*	*			cis	-155	179.2	-11	-169.7	17.1	0	0	0	109.8
331	A	41.2	Very low	40.9	Very low	95 Å²	95	143.3 Å²	143.3	79%	0.785	80%	0.8	S	S	*	*			trans	-107.7	160.8	-157.1	0	0	0	0	0	118.6
332	G	40.5	Very low	40.9	Very low	77 Å²	77	143.6 Å²	143.6	79%	0.794	81%	0.805	S	S	*	*			trans	153	156.5	161.7	0	0	0	0	0	114.2
333	R	40.7	Very low	40.7	Very low	229 Å²	229	141 Å²	141	86%	0.864	80%	0.802	S	S	*	*			cis	-163.2	135.9	-12.9	164.4	177.3	-86.7	-127.7	0.4	110.2
334	L	40.5	Very low	40.4	Very low	143 Å²	143	139.9 Å²	139.9	75%	0.749	80%	0.796	S	S	*	*			trans	20.6	129.8	155.1	-60.8	166.3	0	0	0	121.2
335	S	45.8	Very low	40.6	Very low	125 Å²	125	141.7 Å²	141.7	87%	0.874	80%	0.795	S	S	*	*			trans	-146.8	157.3	131.5	-167.5	0	0	0	0	110.5
336	V	38.4	Very low	41	Very low	109 Å²	109	143.5 Å²	143.5	66%	0.661	79%	0.794	S	S	*	*			trans	-138.6	140.1	-164.8	172.4	0	0	0	0	111.7	T338	V336-T338 HydrophobicContact CG1-CG2 3.78Å
337	C	40.1	Very low	41.4	Very low	131 Å²	131	148 Å²	148	89%	0.885	79%	0.791	S	S	*	*			trans	-144.8	162.9	149.2	-153.5	0	0	0	0	110.8
338	T	40.4	Very low	41.6	Very low	96 Å²	96	146.1 Å²	146.1	59%	0.589	78%	0.784	S	S	*	*			trans	-140.8	167.7	-156.3	60.6	0	0	0	0	115.3	V336	V336-T338 HydrophobicContact CG1-CG2 3.78Å
339	K	46.3	Very low	41.8	Very low	196 Å²	196	146.7 Å²	146.7	85%	0.852	78%	0.781	S	S	*	*			trans	81.2	131.4	173.7	-52.1	162.4	-174.2	173.6	0	112.9
340	K	44.4	Very low	42.3	Very low	210 Å²	210	148.2 Å²	148.2	91%	0.913	78%	0.776	S	S	*	*			cis	-134.9	157	43.4	-101.5	176.6	173.2	177.9	0	115.7
341	K	39.2	Very low	42.9	Very low	192 Å²	192	143.4 Å²	143.4	84%	0.835	75%	0.752	S	S	*	*			trans	-78	153.1	161.8	-157.5	177.3	176.9	-177.2	0	107.2
342	I	42.1	Very low	43.4	Very low	144 Å²	144	142.7 Å²	142.7	74%	0.738	74%	0.738	S	S	*	*				-152.3	-174.5	51.4	-64.2	150.2	0	0	0	108.7
343	E	38.8	Very low	45	Very low	163 Å²	163	143.9 Å²	143.9	76%	0.762	73%	0.726	S	S	*	*			trans	78.6	68.4	169.8	-53.3	-172.7	170	0	0	117.8	R347	E343-R347 PolarHBondContact O-NH2 3.38Å
344	C	34.7	Very low	46.8	Very low	99 Å²	99	134.8 Å²	134.8	67%	0.669	70%	0.7	S	S	*	*			trans	-138	88.4	163.5	-79.3	0	0	0	0	110.6	R347	C344-R347 VanDerWaalsContact SG-CZ 3.53Å; C344-R347 PolarHBondContact SG-NH2 3.32Å
345	E	45.8	Very low	48.9	Very low	187 Å²	187	132.8 Å²	132.8	87%	0.874	69%	0.69	S	S	*	*	S	Bend	trans	-141.8	-39.4	170	-152.1	145.2	-161.6	0	0	112.9	R347	E345-R347 VanDerWaalsContact C-N 3.33Å; E345-R347 PolarHBondContact O-N 2.94Å
346	E	44.6	Very low	50.9	Low	183 Å²	183	130.7 Å²	130.7	86%	0.855	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-23.4	171.7	-68.8	-175.4	113.9	0	0	114	N348 K349	E346-N348 PolarHBondContact O-N 2.99Å; E346-K349 PolarHBondContact O-N 2.96Å
347	R	45.9	Very low	53.2	Low	159 Å²	159	128.2 Å²	128.2	60%	0.6	65%	0.651	S	S	*	*	H	α-helix	trans	-62.9	-15.9	-169.2	-127.5	-177.8	-68.1	-171.1	-1.1	114.8	E343 C344 E345 T351	E343-R347 PolarHBondContact O-NH2 3.38Å; C344-R347 VanDerWaalsContact SG-CZ 3.53Å; C344-R347 PolarHBondContact SG-NH2 3.32Å; E345-R347 VanDerWaalsContact C-N 3.33Å; E345-R347 PolarHBondContact O-N 2.94Å; R347-T351 PolarHBondContact O-OG1 3.44Å
348	N	44.3	Very low	55.7	Low	131 Å²	131	122.6 Å²	122.6	70%	0.701	61%	0.613	S	S	*	*	H	α-helix	trans	-82.2	-10.8	179.9	-82.1	-3.3	0	0	0	114.7	E346 T351	E346-N348 PolarHBondContact O-N 2.99Å; N348-T351 PolarHBondContact O-OG1 3.39Å
349	K	45.1	Very low	58.2	Low	168 Å²	168	123.6 Å²	123.6	73%	0.73	61%	0.609	S	S	*	*	H	α-helix	trans	-85.5	-42.1	178.3	-163.7	173.9	-178.9	-177.1	0	112.2	E346 T351 V352	E346-K349 PolarHBondContact O-N 2.96Å; K349-T351 VanDerWaalsContact C-N 3.35Å; K349-T351 PolarHBondContact O-N 3.48Å; K349-V352 PolarHBondContact O-N 2.97Å
350	T	49.7	Very low	60.3	Low	106 Å²	106	117.2 Å²	117.2	65%	0.65	58%	0.584	S	S	*	*	H	α-helix	trans	-67.3	-34.4	-179.7	-41.4	0	0	0	0	112.6	V352 A354	T350-V352 PolarHBondContact O-N 3.43Å; T350-A354 PolarHBondContact O-N 3.15Å
351	T	53.4	Low	62.6	Low	68 Å²	68	107.3 Å²	107.3	42%	0.417	54%	0.541	S	S	.	.	H	α-helix	trans	-68.3	-30.9	-179.7	47.1	0	0	0	0	113.4	R347 N348 K349 N355	R347-T351 PolarHBondContact O-OG1 3.44Å; N348-T351 PolarHBondContact O-OG1 3.39Å; K349-T351 VanDerWaalsContact C-N 3.35Å; K349-T351 PolarHBondContact O-N 3.48Å; T351-N355 PolarHBondContact O-N 3.5Å; T351-N355 PolarHBondContact O-ND2 2.87Å
352	V	51.7	Low	65.2	Low	80 Å²	80	102.8 Å²	102.8	49%	0.485	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-53.8	175.1	177	0	0	0	0	109.9	K349 T350 A354 N355 D356	K349-V352 PolarHBondContact O-N 2.97Å; T350-V352 PolarHBondContact O-N 3.43Å; V352-A354 VanDerWaalsContact C-N 3.32Å; V352-A354 PolarHBondContact O-N 2.88Å; V352-N355 PolarHBondContact O-N 3.24Å; V352-N355 VanDerWaalsContact O-N 3.13Å; V352-D356 PolarHBondContact O-N 2.71Å
353	N	73.1	Confident	67.7	Low	102 Å²	102	98 Å²	98	55%	0.545	51%	0.506	S	S	.	.	H	α-helix	trans	-54.5	-45.6	179	-67.7	17.5	0	0	0	112.2	N355 D356 M357	N353-N355 PolarHBondContact O-N 3.4Å; N353-D356 PolarHBondContact O-N 3.13Å; N353-M357 VanDerWaalsContact O-CG 3.32Å; N353-M357 WeakPolarHBondContact O-CG 3.49Å; N353-M357 PolarHBondContact O-N 3.16Å
354	A	78.2	Confident	70.3	Confident	39 Å²	39	90.9 Å²	90.9	32%	0.322	47%	0.472	S	S	.	.	H	α-helix	trans	-62.2	-42.1	179.5	0	0	0	0	0	112.7	T350 V352 V358	T350-A354 PolarHBondContact O-N 3.15Å; V352-A354 VanDerWaalsContact C-N 3.32Å; V352-A354 PolarHBondContact O-N 2.88Å; A354-V358 WeakPolarHBondContact O-CG2 3.47Å; A354-V358 PolarHBondContact O-N 3.31Å; A354-V358 VanDerWaalsContact O-N 3.07Å
355	N	85	Confident	73.1	Confident	101 Å²	101	86.9 Å²	86.9	54%	0.54	44%	0.443	S	S	.	.	H	α-helix	trans	-67.1	-37.2	177.7	-82.2	-84	0	0	0	112.4	T351 V352 N353 V358 K359	T351-N355 PolarHBondContact O-N 3.5Å; T351-N355 PolarHBondContact O-ND2 2.87Å; V352-N355 PolarHBondContact O-N 3.24Å; V352-N355 VanDerWaalsContact O-N 3.13Å; N353-N355 PolarHBondContact O-N 3.4Å; N355-V358 PolarHBondContact O-N 3.45Å; N355-K359 WeakPolarHBondContact O-CG 3.29Å; N355-K359 PolarHBondContact O-N 3.3Å
356	D	87.6	Confident	75.5	Confident	81 Å²	81	80.5 Å²	80.5	43%	0.433	42%	0.423	S	S	.	.	H	α-helix	trans	-75.1	-33.5	179.2	-67.8	-28.4	0	0	0	112.2	V352 N353 K359 D360	V352-D356 PolarHBondContact O-N 2.71Å; N353-D356 PolarHBondContact O-N 3.13Å; D356-K359 PolarHBondContact O-N 3.32Å; D356-K359 IonicContact OD1-NZ 2.66Å; D356-K359 PolarHBondContact OD1-NZ 2.87Å; D356-D360 PolarHBondContact O-N 3.26Å; D356-D360 VanDerWaalsContact O-N 3.16Å
357	M	87.3	Confident	77.9	Confident	56 Å²	56	74.5 Å²	74.5	28%	0.276	40%	0.398	S	S	.	.	H	α-helix	trans	-64.1	-39.8	169.5	-71.6	178.5	71.6	0	0	112.6	N353 D360 L361 Y407 L409	N353-M357 VanDerWaalsContact O-CG 3.32Å; N353-M357 WeakPolarHBondContact O-CG 3.49Å; N353-M357 PolarHBondContact O-N 3.16Å; M357-D360 PolarHBondContact O-N 3.14Å; M357-L361 WeakPolarHBondContact O-CG 3.45Å; M357-L361 PolarHBondContact O-N 3.31Å; M357-L361 VanDerWaalsContact O-N 3.09Å; M357-Y407 HydrophobicContact CE-CE2 4.15Å; M357-Y407 VanDerWaalsContact CE-OH 3.3Å; M357-Y407 WeakPolarHBondContact CE-OH 3.46Å; M357-L409 HydrophobicContact CE-CD1 4.04Å
358	V	92.2	Very high	80.3	Confident	14 Å²	14	68 Å²	68	9%	0.085	37%	0.374	C	S	.	.	H	α-helix	trans	-62.5	-42.4	175	169.1	0	0	0	0	111.1	A354 N355 D360 L361 E362 I398 I401	A354-V358 WeakPolarHBondContact O-CG2 3.47Å; A354-V358 PolarHBondContact O-N 3.31Å; A354-V358 VanDerWaalsContact O-N 3.07Å; N355-V358 PolarHBondContact O-N 3.45Å; V358-D360 PolarHBondContact O-N 2.84Å; V358-L361 PolarHBondContact O-N 3.01Å; V358-E362 HydrophobicContact CG1-CG 4.24Å; V358-E362 WeakPolarHBondContact O-CB 3.36Å; V358-E362 WeakPolarHBondContact O-CG 3.29Å; V358-E362 PolarHBondContact O-N 3.02Å; V358-I398 HydrophobicContact CG1-CG2 4.21Å; V358-I401 HydrophobicContact CG2-CB 4.41Å; V358-I401 HydrophobicContact CG2-CG2 3.72Å
359	K	92.5	Very high	82.8	Confident	117 Å²	117	65.8 Å²	65.8	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-42.2	176.9	-68	166.8	-160.9	162.9	0	113	N355 D356 E362 A363	N355-K359 WeakPolarHBondContact O-CG 3.29Å; N355-K359 PolarHBondContact O-N 3.3Å; D356-K359 PolarHBondContact O-N 3.32Å; D356-K359 IonicContact OD1-NZ 2.66Å; D356-K359 PolarHBondContact OD1-NZ 2.87Å; K359-E362 PolarHBondContact O-N 3.36Å; K359-A363 WeakPolarHBondContact O-CB 3.5Å; K359-A363 PolarHBondContact O-N 3Å
360	D	91	Very high	85.2	Confident	61 Å²	61	60.4 Å²	60.4	33%	0.326	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-43.5	177.6	-179	54	0	0	0	111.4	D356 M357 V358 E362 A363 R364	D356-D360 PolarHBondContact O-N 3.26Å; D356-D360 VanDerWaalsContact O-N 3.16Å; M357-D360 PolarHBondContact O-N 3.14Å; V358-D360 PolarHBondContact O-N 2.84Å; D360-E362 PolarHBondContact O-N 3.13Å; D360-A363 PolarHBondContact O-N 3.23Å; D360-R364 VanDerWaalsContact CG-NE 3.33Å; D360-R364 VanDerWaalsContact O-CG 3.31Å; D360-R364 WeakPolarHBondContact O-CG 3.41Å; D360-R364 PolarHBondContact O-N 3.27Å; D360-R364 IonicContact OD1-CZ 2.82Å; D360-R364 IonicContact OD1-NE 3.7Å; D360-R364 PolarHBondContact OD1-NE 2.9Å; D360-R364 IonicContact OD1-NH2 3.99Å; D360-R364 PolarHBondContact OD1-NH2 3.47Å; D360-R364 IonicContact OD2-CZ 3.83Å; D360-R364 IonicContact OD2-NE 3.33Å; D360-R364 PolarHBondContact OD2-NE 3.03Å; D360-R364 IonicContact OD2-NH2 3.46Å; D360-R364 PolarHBondContact OD2-NH2 3.36Å
361	L	92.7	Very high	87.4	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-36.5	174.5	-69.4	170.7	0	0	0	112.9	M357 V358 M365 Y394 V397 I398 I401 L409 L412 F421	M357-L361 WeakPolarHBondContact O-CG 3.45Å; M357-L361 PolarHBondContact O-N 3.31Å; M357-L361 VanDerWaalsContact O-N 3.09Å; V358-L361 PolarHBondContact O-N 3.01Å; L361-M365 VanDerWaalsContact O-CB 3.23Å; L361-M365 WeakPolarHBondContact O-CB 3.35Å; L361-M365 PolarHBondContact O-N 3.34Å; L361-Y394 HydrophobicContact CB-CD1 4.41Å; L361-Y394 HydrophobicContact CD2-CD1 4Å; L361-Y394 HydrophobicContact CD2-CE1 3.79Å; L361-Y394 WeakPolarHBondContact O-CD1 3.35Å; L361-V397 HydrophobicContact CD1-CG1 3.91Å; L361-I398 HydrophobicContact CB-CD1 3.97Å; L361-I398 HydrophobicContact CB-CG1 3.73Å; L361-I398 HydrophobicContact CD1-CG1 4.17Å; L361-I401 HydrophobicContact CD1-CD1 3.3Å; L361-L409 HydrophobicContact CD1-CD2 4.43Å; L361-L409 HydrophobicContact CD2-CD2 4.21Å; L361-L412 HydrophobicContact CD2-CD1 3.59Å; L361-F421 HydrophobicContact CD2-CE1 3.85Å; L361-F421 HydrophobicContact CD2-CZ 4.05Å
362	E	94.3	Very high	89.4	Confident	96 Å²	96	54 Å²	54	45%	0.449	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-39.8	173.6	-75.9	-177.6	158.1	0	0	112.1	V358 K359 D360 M365 A366 I398	V358-E362 HydrophobicContact CG1-CG 4.24Å; V358-E362 WeakPolarHBondContact O-CB 3.36Å; V358-E362 WeakPolarHBondContact O-CG 3.29Å; V358-E362 PolarHBondContact O-N 3.02Å; K359-E362 PolarHBondContact O-N 3.36Å; D360-E362 PolarHBondContact O-N 3.13Å; E362-M365 HydrophobicContact CB-CE 4.43Å; E362-M365 HydrophobicContact CG-CE 4.04Å; E362-M365 PolarHBondContact O-N 3.22Å; E362-A366 PolarHBondContact O-N 3.01Å; E362-I398 HydrophobicContact CG-CD1 3.96Å
363	A	93.6	Very high	91.5	Very high	45 Å²	45	56 Å²	56	37%	0.372	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-44.9	174.8	0	0	0	0	0	111.9	K359 D360 A366 F418	K359-A363 WeakPolarHBondContact O-CB 3.5Å; K359-A363 PolarHBondContact O-N 3Å; D360-A363 PolarHBondContact O-N 3.23Å; A363-A366 WeakPolarHBondContact O-CB 3.44Å; A363-A366 PolarHBondContact O-N 3.14Å; A363-F418 HydrophobicContact CB-CE1 4.07Å; A363-F418 HydrophobicContact CB-CZ 4.43Å
364	R	93.2	Very high	92.5	Very high	13 Å²	13	54 Å²	54	5%	0.049	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-44.3	173.8	-68.2	171.7	-163.7	-108	-4.5	111.8	D360 A366 V367 Y368 Y394 P415 F418 E419 F421	D360-R364 VanDerWaalsContact CG-NE 3.33Å; D360-R364 VanDerWaalsContact O-CG 3.31Å; D360-R364 WeakPolarHBondContact O-CG 3.41Å; D360-R364 PolarHBondContact O-N 3.27Å; D360-R364 IonicContact OD1-CZ 2.82Å; D360-R364 IonicContact OD1-NE 3.7Å; D360-R364 PolarHBondContact OD1-NE 2.9Å; D360-R364 IonicContact OD1-NH2 3.99Å; D360-R364 PolarHBondContact OD1-NH2 3.47Å; D360-R364 IonicContact OD2-CZ 3.83Å; D360-R364 IonicContact OD2-NE 3.33Å; D360-R364 PolarHBondContact OD2-NE 3.03Å; D360-R364 IonicContact OD2-NH2 3.46Å; D360-R364 PolarHBondContact OD2-NH2 3.36Å; R364-A366 VanDerWaalsContact C-N 3.27Å; R364-A366 PolarHBondContact O-N 3.48Å; R364-V367 PolarHBondContact O-N 3.24Å; R364-Y368 WeakPolarHBondContact O-CD2 3.46Å; R364-Y394 HydrophobicContact CB-CD1 4.29Å; R364-Y394 HydrophobicContact CB-CE1 3.43Å; R364-Y394 VanDerWaalsContact CB-CE1 3.43Å; R364-Y394 HydrophobicContact CG-CE1 4.35Å; R364-P415 HydrophobicContact CB-CG 3.78Å; R364-P415 HydrophobicContact CG-CG 3.97Å; R364-F418 HydrophobicContact CG-CB 4.49Å; R364-F418 HydrophobicContact CG-CD1 3.41Å; R364-F418 VanDerWaalsContact CG-CD1 3.41Å; R364-F418 HydrophobicContact CG-CE1 3.73Å; R364-F418 HydrophobicContact CG-CG 4Å; R364-E419 PolarHBondContact NH1-O 2.71Å; R364-E419 PolarHBondContact NH2-O 3.32Å; R364-F421 VanDerWaalsContact CD-CZ 3.49Å; R364-F421 VanDerWaalsContact CZ-CE1 3.44Å
365	M	94.2	Very high	93.3	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.069	30%	0.298	C	S	.	.	H	α-helix	trans	-59.9	-35.7	175.9	176.8	-179	43.6	0	0	112.3	L361 E362 V367 Y368 K369 V391 Y394 Q395 I398	L361-M365 VanDerWaalsContact O-CB 3.23Å; L361-M365 WeakPolarHBondContact O-CB 3.35Å; L361-M365 PolarHBondContact O-N 3.34Å; E362-M365 HydrophobicContact CB-CE 4.43Å; E362-M365 HydrophobicContact CG-CE 4.04Å; E362-M365 PolarHBondContact O-N 3.22Å; M365-V367 VanDerWaalsContact C-N 3.29Å; M365-V367 PolarHBondContact O-N 3.27Å; M365-Y368 PolarHBondContact O-N 2.86Å; M365-K369 HydrophobicContact CG-CD 4.32Å; M365-K369 HydrophobicContact CG-CG 4.42Å; M365-K369 PolarHBondContact O-N 3.2Å; M365-V391 HydrophobicContact CG-CG1 4.17Å; M365-V391 HydrophobicContact SD-CG1 4.22Å; M365-Y394 HydrophobicContact CB-CD1 4.23Å; M365-Y394 HydrophobicContact CB-CG 4.23Å; M365-Q395 HydrophobicContact SD-CG 3.74Å; M365-I398 HydrophobicContact CE-CD1 3.73Å; M365-I398 HydrophobicContact SD-CD1 4.41Å
366	A	95.2	Very high	93.8	Very high	54 Å²	54	54 Å²	54	45%	0.446	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-35.7	179.4	0	0	0	0	0	112.6	E362 A363 R364 K369 A370	E362-A366 PolarHBondContact O-N 3.01Å; A363-A366 WeakPolarHBondContact O-CB 3.44Å; A363-A366 PolarHBondContact O-N 3.14Å; R364-A366 VanDerWaalsContact C-N 3.27Å; R364-A366 PolarHBondContact O-N 3.48Å; A366-K369 PolarHBondContact O-N 3.19Å; A366-A370 PolarHBondContact O-N 3.1Å
367	V	96	Very high	94.2	Very high	56 Å²	56	56.3 Å²	56.3	34%	0.339	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-46.2	175.3	-173.4	0	0	0	0	111	R364 M365 K369 A370 A371 P415 F418	R364-V367 PolarHBondContact O-N 3.24Å; M365-V367 VanDerWaalsContact C-N 3.29Å; M365-V367 PolarHBondContact O-N 3.27Å; V367-K369 PolarHBondContact O-N 2.66Å; V367-A370 PolarHBondContact O-N 3.3Å; V367-A371 WeakPolarHBondContact O-CB 3.12Å; V367-A371 PolarHBondContact O-N 2.81Å; V367-P415 HydrophobicContact CB-CB 4.03Å; V367-P415 HydrophobicContact CB-CG 4.38Å; V367-P415 HydrophobicContact CG1-CB 3.97Å; V367-P415 HydrophobicContact CG2-CB 4.13Å; V367-P415 HydrophobicContact CG2-CG 4.38Å; V367-F418 HydrophobicContact CG2-CE2 3.61Å; V367-F418 HydrophobicContact CG2-CZ 4Å
368	Y	96.6	Very high	94.5	Very high	22 Å²	22	57.1 Å²	57.1	9%	0.086	34%	0.335	C	S	.	.	H	α-helix	trans	-69.4	-31	179.2	-67.1	-65.8	0	0	0	113.1	R364 M365 A371 A372 M387 I390 Y394 P413 V414 P415	R364-Y368 WeakPolarHBondContact O-CD2 3.46Å; M365-Y368 PolarHBondContact O-N 2.86Å; Y368-A371 PolarHBondContact O-N 3.08Å; Y368-A372 PolarHBondContact O-N 2.74Å; Y368-M387 HydrophobicContact CD1-SD 3.94Å; Y368-I390 HydrophobicContact CD1-CB 4.4Å; Y368-I390 HydrophobicContact CD1-CD1 4.14Å; Y368-I390 HydrophobicContact CD1-CG2 3.83Å; Y368-I390 HydrophobicContact CD2-CG2 3.57Å; Y368-I390 HydrophobicContact CE1-CD1 4.01Å; Y368-I390 HydrophobicContact CE1-CG2 4.02Å; Y368-I390 HydrophobicContact CE2-CG2 3.75Å; Y368-I390 HydrophobicContact CG-CB 4.4Å; Y368-I390 HydrophobicContact CG-CG2 3.61Å; Y368-Y394 HydrophobicContact CD2-CD2 4.24Å; Y368-Y394 AromaticContact CD2-CE2 3.88Å; Y368-Y394 HydrophobicContact CD2-CE2 3.88Å; Y368-Y394 HydrophobicContact CE2-CD2 4.42Å; Y368-Y394 AromaticContact CE2-CE2 3.62Å; Y368-Y394 HydrophobicContact CE2-CE2 3.62Å; Y368-P413 HydrophobicContact CE2-CG 4.5Å; Y368-P413 PolarHBondContact OH-O 2.85Å; Y368-P413 VanDerWaalsContact OH-O 3.06Å; Y368-V414 VanDerWaalsContact OH-C 3.28Å; Y368-V414 PolarHBondContact OH-O 3.18Å; Y368-P415 HydrophobicContact CD2-CG 4.4Å; Y368-P415 HydrophobicContact CE2-CB 4.22Å; Y368-P415 HydrophobicContact CE2-CG 3.68Å
369	K	96.5	Very high	94.5	Very high	85 Å²	85	61.4 Å²	61.4	37%	0.37	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-51	170.2	-72.8	177.4	177.5	174.7	0	111.7	M365 A366 V367 A371 A372 E373 V391	M365-K369 HydrophobicContact CG-CD 4.32Å; M365-K369 HydrophobicContact CG-CG 4.42Å; M365-K369 PolarHBondContact O-N 3.2Å; A366-K369 PolarHBondContact O-N 3.19Å; V367-K369 PolarHBondContact O-N 2.66Å; K369-A371 PolarHBondContact O-N 2.71Å; K369-A372 WeakPolarHBondContact O-CB 3.37Å; K369-A372 PolarHBondContact O-N 2.81Å; K369-E373 PolarHBondContact O-N 3.08Å; K369-V391 HydrophobicContact CG-CG1 4.07Å; K369-V391 HydrophobicContact CG-CG2 3.85Å
370	A	96	Very high	94.4	Very high	55 Å²	55	59.6 Å²	59.6	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-35.6	176.3	0	0	0	0	0	112.2	A366 V367 A374	A366-A370 PolarHBondContact O-N 3.1Å; V367-A370 PolarHBondContact O-N 3.3Å; A370-A374 VanDerWaalsContact O-CB 3.28Å; A370-A374 WeakPolarHBondContact O-CB 3.41Å; A370-A374 PolarHBondContact O-N 2.71Å
371	A	94.7	Very high	94.5	Very high	28 Å²	28	60 Å²	60	23%	0.231	37%	0.369	C	S	.	.	H	α-helix	trans	-68.5	-32.3	173.9	0	0	0	0	0	113.5	V367 Y368 K369 A375 M387	V367-A371 WeakPolarHBondContact O-CB 3.12Å; V367-A371 PolarHBondContact O-N 2.81Å; Y368-A371 PolarHBondContact O-N 3.08Å; K369-A371 PolarHBondContact O-N 2.71Å; A371-A375 VanDerWaalsContact O-CB 3.24Å; A371-A375 WeakPolarHBondContact O-CB 3.48Å; A371-A375 PolarHBondContact O-N 3.44Å; A371-M387 HydrophobicContact CB-CG 4.03Å; A371-M387 HydrophobicContact CB-SD 3.78Å
372	A	95.1	Very high	94.4	Very high	12 Å²	12	63 Å²	63	10%	0.099	39%	0.39	C	S	.	.	H	α-helix	trans	-69.9	-46.9	172.6	0	0	0	0	0	111.3	Y368 K369 A374 A375 Q376 M387	Y368-A372 PolarHBondContact O-N 2.74Å; K369-A372 WeakPolarHBondContact O-CB 3.37Å; K369-A372 PolarHBondContact O-N 2.81Å; A372-A374 PolarHBondContact O-N 3.04Å; A372-A375 WeakPolarHBondContact O-CB 3.31Å; A372-A375 PolarHBondContact O-N 3.24Å; A372-Q376 WeakPolarHBondContact O-CB 3.22Å; A372-Q376 PolarHBondContact O-N 3.4Å; A372-M387 HydrophobicContact CB-CB 3.73Å
373	E	96	Very high	94.4	Very high	121 Å²	121	63.4 Å²	63.4	57%	0.565	39%	0.39	S	S	*	.	H	α-helix	trans	-60.1	-46.2	176.6	-69.9	168.2	-159.7	0	0	111.4	K369 A375 Q376 V377	K369-E373 PolarHBondContact O-N 3.08Å; E373-A375 VanDerWaalsContact C-N 3.33Å; E373-A375 PolarHBondContact O-N 3.46Å; E373-Q376 WeakPolarHBondContact O-CB 3.42Å; E373-Q376 PolarHBondContact O-N 3.08Å; E373-Q376 VanDerWaalsContact O-N 3.16Å; E373-V377 WeakPolarHBondContact O-CG2 3.36Å; E373-V377 PolarHBondContact O-N 3.39Å
374	A	95.1	Very high	94.5	Very high	62 Å²	62	62.1 Å²	62.1	51%	0.512	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-37	174.7	0	0	0	0	0	112.7	A370 A372 Q376 A378	A370-A374 VanDerWaalsContact O-CB 3.28Å; A370-A374 WeakPolarHBondContact O-CB 3.41Å; A370-A374 PolarHBondContact O-N 2.71Å; A372-A374 PolarHBondContact O-N 3.04Å; A374-Q376 VanDerWaalsContact C-N 3.34Å; A374-A378 WeakPolarHBondContact O-CB 3.42Å; A374-A378 PolarHBondContact O-N 3.1Å
375	A	94.7	Very high	94.6	Very high	4 Å²	4	69 Å²	69	3%	0.033	40%	0.404	C	S	.	.	H	α-helix	trans	-68.4	-32.5	174.2	0	0	0	0	0	112.8	A371 A372 E373 A378 S379 N380 K383 V384	A371-A375 VanDerWaalsContact O-CB 3.24Å; A371-A375 WeakPolarHBondContact O-CB 3.48Å; A371-A375 PolarHBondContact O-N 3.44Å; A372-A375 WeakPolarHBondContact O-CB 3.31Å; A372-A375 PolarHBondContact O-N 3.24Å; E373-A375 VanDerWaalsContact C-N 3.33Å; E373-A375 PolarHBondContact O-N 3.46Å; A375-A378 CarbonylContact O-C 3.59Å; A375-A378 PolarHBondContact O-N 2.75Å; A375-S379 PolarHBondContact O-N 3.48Å; A375-S379 VanDerWaalsContact O-N 3.14Å; A375-N380 PolarHBondContact O-N 2.99Å; A375-K383 HydrophobicContact CB-CB 3.9Å; A375-K383 HydrophobicContact CB-CD 3.9Å; A375-K383 HydrophobicContact CB-CG 3.7Å; A375-V384 HydrophobicContact CB-CG2 3.75Å
376	Q	95.2	Very high	94.6	Very high	135 Å²	135	75 Å²	75	63%	0.631	43%	0.425	S	S	*	.	H	α-helix	trans	-70	-43.8	176.5	-169	178	14.5	0	0	111.1	A372 E373 A374 A378 S379 V384	A372-Q376 WeakPolarHBondContact O-CB 3.22Å; A372-Q376 PolarHBondContact O-N 3.4Å; E373-Q376 WeakPolarHBondContact O-CB 3.42Å; E373-Q376 PolarHBondContact O-N 3.08Å; E373-Q376 VanDerWaalsContact O-N 3.16Å; A374-Q376 VanDerWaalsContact C-N 3.34Å; Q376-A378 VanDerWaalsContact C-N 3.29Å; Q376-A378 PolarHBondContact O-N 3.11Å; Q376-S379 PolarHBondContact O-N 3.2Å; Q376-V384 HydrophobicContact CB-CG2 3.87Å
377	V	95.9	Very high	94.7	Very high	130 Å²	130	73.5 Å²	73.5	79%	0.788	41%	0.41	S	S	*	.	H	α-helix	trans	-60.9	-39.2	171.3	174.6	0	0	0	0	111.1	E373 S379	E373-V377 WeakPolarHBondContact O-CG2 3.36Å; E373-V377 PolarHBondContact O-N 3.39Å; V377-S379 PolarHBondContact O-N 3.45Å
378	A	94.1	Very high	94.7	Very high	72 Å²	72	74.9 Å²	74.9	60%	0.595	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	6.3	173.8	0	0	0	0	0	114.6	A374 A375 Q376 N380	A374-A378 WeakPolarHBondContact O-CB 3.42Å; A374-A378 PolarHBondContact O-N 3.1Å; A375-A378 CarbonylContact O-C 3.59Å; A375-A378 PolarHBondContact O-N 2.75Å; Q376-A378 VanDerWaalsContact C-N 3.29Å; Q376-A378 PolarHBondContact O-N 3.11Å; A378-N380 PolarHBondContact O-N 3.29Å
379	S	91	Very high	94.7	Very high	105 Å²	105	79.8 Å²	79.8	73%	0.734	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	13.5	-178.5	-58.1	0	0	0	0	116.2	A375 Q376 V377 S381	A375-S379 PolarHBondContact O-N 3.48Å; A375-S379 VanDerWaalsContact O-N 3.14Å; Q376-S379 PolarHBondContact O-N 3.2Å; V377-S379 PolarHBondContact O-N 3.45Å; S379-S381 PolarHBondContact O-N 3.41Å
380	N	92.1	Very high	94.6	Very high	78 Å²	78	76.8 Å²	76.8	42%	0.417	42%	0.419	S	S	.	.			trans	-83.4	83.6	-178.2	-171.7	-33.7	0	0	0	110.6	A375 A378 S382 K383 V384	A375-N380 PolarHBondContact O-N 2.99Å; A378-N380 PolarHBondContact O-N 3.29Å; N380-S382 PolarHBondContact O-N 3.37Å; N380-S382 VanDerWaalsContact O-N 3.16Å; N380-S382 PolarHBondContact OD1-N 3.04Å; N380-K383 HydrophobicContact CB-CB 4.11Å; N380-K383 PolarHBondContact O-N 3.14Å; N380-K383 VanDerWaalsContact O-N 3.17Å; N380-K383 WeakPolarHBondContact OD1-CB 3.5Å; N380-K383 PolarHBondContact OD1-N 3.36Å; N380-V384 WeakPolarHBondContact O-CG2 3.22Å; N380-V384 PolarHBondContact O-N 3.5Å
381	S	91.3	Very high	94.6	Very high	69 Å²	69	74.9 Å²	74.9	48%	0.483	40%	0.401	S	S	.	.	H	α-helix	trans	-61	-23	-176.9	76.6	0	0	0	0	114.4	S379 R385	S379-S381 PolarHBondContact O-N 3.41Å; S381-R385 WeakPolarHBondContact O-CG 3.44Å; S381-R385 PolarHBondContact O-N 2.88Å; S381-R385 PolarHBondContact O-NE 2.88Å; S381-R385 PolarHBondContact OG-NH2 3.35Å
382	S	91.3	Very high	94.7	Very high	66 Å²	66	79.2 Å²	79.2	46%	0.462	42%	0.415	S	S	.	.	H	α-helix	trans	-73.3	-50	174.5	-175.5	0	0	0	0	110.4	N380 V384 R385 R386	N380-S382 PolarHBondContact O-N 3.37Å; N380-S382 VanDerWaalsContact O-N 3.16Å; N380-S382 PolarHBondContact OD1-N 3.04Å; S382-V384 VanDerWaalsContact C-N 3.35Å; S382-V384 PolarHBondContact O-N 2.95Å; S382-R385 PolarHBondContact O-N 3.38Å; S382-R385 VanDerWaalsContact O-N 3.15Å; S382-R386 PolarHBondContact O-N 2.67Å
383	K	94.4	Very high	94.7	Very high	105 Å²	105	82.2 Å²	82.2	46%	0.457	43%	0.427	S	S	.	.	H	α-helix	trans	-61.9	-39.1	176.6	-172.8	174.2	179	172.9	0	112.3	A375 N380 R386 M387	A375-K383 HydrophobicContact CB-CB 3.9Å; A375-K383 HydrophobicContact CB-CD 3.9Å; A375-K383 HydrophobicContact CB-CG 3.7Å; N380-K383 HydrophobicContact CB-CB 4.11Å; N380-K383 PolarHBondContact O-N 3.14Å; N380-K383 VanDerWaalsContact O-N 3.17Å; N380-K383 WeakPolarHBondContact OD1-CB 3.5Å; N380-K383 PolarHBondContact OD1-N 3.36Å; K383-R386 PolarHBondContact O-N 2.88Å; K383-M387 HydrophobicContact CG-CG 4.24Å; K383-M387 WeakPolarHBondContact O-CB 3.28Å; K383-M387 VanDerWaalsContact O-CG 3.26Å; K383-M387 WeakPolarHBondContact O-CG 3.38Å; K383-M387 PolarHBondContact O-N 3.43Å
384	V	96	Very high	94.6	Very high	18 Å²	18	76.5 Å²	76.5	11%	0.109	40%	0.4	C	S	.	.	H	α-helix	trans	-55.2	-53.8	171.5	174.3	0	0	0	0	110.5	A375 Q376 N380 S382 R386 M387 E388	A375-V384 HydrophobicContact CB-CG2 3.75Å; Q376-V384 HydrophobicContact CB-CG2 3.87Å; N380-V384 WeakPolarHBondContact O-CG2 3.22Å; N380-V384 PolarHBondContact O-N 3.5Å; S382-V384 VanDerWaalsContact C-N 3.35Å; S382-V384 PolarHBondContact O-N 2.95Å; V384-R386 VanDerWaalsContact C-N 3.35Å; V384-R386 PolarHBondContact O-N 2.98Å; V384-M387 PolarHBondContact O-N 3.4Å; V384-E388 HydrophobicContact CG1-CG 4.36Å; V384-E388 WeakPolarHBondContact O-CB 3.41Å; V384-E388 WeakPolarHBondContact O-CG 3.49Å; V384-E388 PolarHBondContact O-N 3.47Å
385	R	95.7	Very high	94.7	Very high	157 Å²	157	78.3 Å²	78.3	59%	0.592	40%	0.398	S	S	*	.	H	α-helix	trans	-59.9	-40.3	179.1	-76.5	176.8	-82.5	172.6	-6.9	112.8	S381 S382 R389	S381-R385 WeakPolarHBondContact O-CG 3.44Å; S381-R385 PolarHBondContact O-N 2.88Å; S381-R385 PolarHBondContact O-NE 2.88Å; S381-R385 PolarHBondContact OG-NH2 3.35Å; S382-R385 PolarHBondContact O-N 3.38Å; S382-R385 VanDerWaalsContact O-N 3.15Å; R385-R389 WeakPolarHBondContact O-CB 3.44Å; R385-R389 PolarHBondContact O-N 2.93Å
386	R	94.7	Very high	94.6	Very high	140 Å²	140	82.9 Å²	82.9	53%	0.528	43%	0.425	S	S	.	.	H	α-helix	trans	-64.5	-46.2	176.3	-167.7	-179	-77.8	177.7	-2.9	111.6	S382 K383 V384 R389 I390	S382-R386 PolarHBondContact O-N 2.67Å; K383-R386 PolarHBondContact O-N 2.88Å; V384-R386 VanDerWaalsContact C-N 3.35Å; V384-R386 PolarHBondContact O-N 2.98Å; R386-R389 WeakPolarHBondContact O-CB 3.42Å; R386-R389 PolarHBondContact O-N 2.64Å; R386-I390 WeakPolarHBondContact O-CG1 3.49Å; R386-I390 PolarHBondContact O-N 3.02Å
387	M	96	Very high	94.5	Very high	24 Å²	24	77.1 Å²	77.1	12%	0.118	40%	0.4	C	S	.	.	H	α-helix	trans	-68.1	-39.8	178.1	-62.9	-59.6	95.4	0	0	112.1	Y368 A371 A372 K383 V384 R389 I390 V391	Y368-M387 HydrophobicContact CD1-SD 3.94Å; A371-M387 HydrophobicContact CB-CG 4.03Å; A371-M387 HydrophobicContact CB-SD 3.78Å; A372-M387 HydrophobicContact CB-CB 3.73Å; K383-M387 HydrophobicContact CG-CG 4.24Å; K383-M387 WeakPolarHBondContact O-CB 3.28Å; K383-M387 VanDerWaalsContact O-CG 3.26Å; K383-M387 WeakPolarHBondContact O-CG 3.38Å; K383-M387 PolarHBondContact O-N 3.43Å; V384-M387 PolarHBondContact O-N 3.4Å; M387-R389 VanDerWaalsContact C-N 3.33Å; M387-R389 PolarHBondContact O-N 3.26Å; M387-I390 HydrophobicContact CE-CD1 3.84Å; M387-I390 PolarHBondContact O-N 3.43Å; M387-V391 WeakPolarHBondContact O-CG2 3.29Å; M387-V391 PolarHBondContact O-N 2.97Å
388	E	95.9	Very high	94.4	Very high	84 Å²	84	71.6 Å²	71.6	39%	0.393	37%	0.366	S	S	.	.	H	α-helix	trans	-62.8	-36.3	174.1	-77.5	-174.1	-169.2	0	0	113.2	V384 I390 V391 K392	V384-E388 HydrophobicContact CG1-CG 4.36Å; V384-E388 WeakPolarHBondContact O-CB 3.41Å; V384-E388 WeakPolarHBondContact O-CG 3.49Å; V384-E388 PolarHBondContact O-N 3.47Å; E388-I390 VanDerWaalsContact C-N 3.31Å; E388-V391 PolarHBondContact O-N 2.9Å; E388-K392 WeakPolarHBondContact O-CG 3.44Å; E388-K392 PolarHBondContact O-N 3.43Å; E388-K392 IonicContact OE2-NZ 3.73Å
389	R	96.3	Very high	94.3	Very high	126 Å²	126	69.9 Å²	69.9	48%	0.475	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-45	174.3	-166.3	-169	-71.7	167.3	-2.3	110.1	E78 R385 R386 M387 K392 Q393	E78-R389 IonicContact OE1-CZ 2.92Å; E78-R389 IonicContact OE1-NH1 2.99Å; E78-R389 PolarHBondContact OE1-NH1 2.97Å; E78-R389 IonicContact OE1-NH2 2.87Å; E78-R389 IonicContact OE2-CZ 3.2Å; E78-R389 IonicContact OE2-NH1 2.76Å; E78-R389 PolarHBondContact OE2-NH1 3.43Å; E78-R389 IonicContact OE2-NH2 2.86Å; E78-R389 PolarHBondContact OE2-NH2 3.25Å; R385-R389 WeakPolarHBondContact O-CB 3.44Å; R385-R389 PolarHBondContact O-N 2.93Å; R386-R389 WeakPolarHBondContact O-CB 3.42Å; R386-R389 PolarHBondContact O-N 2.64Å; M387-R389 VanDerWaalsContact C-N 3.33Å; M387-R389 PolarHBondContact O-N 3.26Å; R389-K392 PolarHBondContact O-N 2.87Å; R389-Q393 PolarHBondContact O-N 3.15Å; R389-Q393 VanDerWaalsContact O-N 3.15Å
390	I	95.5	Very high	94.3	Very high	22 Å²	22	65.4 Å²	65.4	11%	0.113	32%	0.324	C	S	.	.	H	α-helix	trans	-65.4	-45.4	176.6	-62	169.2	0	0	0	111.7	Y368 R386 M387 E388 K392 Q393 Y394 P413	Y368-I390 HydrophobicContact CD1-CB 4.4Å; Y368-I390 HydrophobicContact CD1-CD1 4.14Å; Y368-I390 HydrophobicContact CD1-CG2 3.83Å; Y368-I390 HydrophobicContact CD2-CG2 3.57Å; Y368-I390 HydrophobicContact CE1-CD1 4.01Å; Y368-I390 HydrophobicContact CE1-CG2 4.02Å; Y368-I390 HydrophobicContact CE2-CG2 3.75Å; Y368-I390 HydrophobicContact CG-CB 4.4Å; Y368-I390 HydrophobicContact CG-CG2 3.61Å; R386-I390 WeakPolarHBondContact O-CG1 3.49Å; R386-I390 PolarHBondContact O-N 3.02Å; M387-I390 HydrophobicContact CE-CD1 3.84Å; M387-I390 PolarHBondContact O-N 3.43Å; E388-I390 VanDerWaalsContact C-N 3.31Å; I390-K392 PolarHBondContact O-N 3.05Å; I390-Q393 WeakPolarHBondContact O-CB 3.39Å; I390-Q393 PolarHBondContact O-N 3.15Å; I390-Y394 HydrophobicContact CG2-CD2 3.88Å; I390-Y394 HydrophobicContact CG2-CE2 3.97Å; I390-Y394 PolarHBondContact O-N 2.86Å; I390-P413 HydrophobicContact CB-CG 4.4Å; I390-P413 HydrophobicContact CD1-CG 4.02Å; I390-P413 HydrophobicContact CG1-CG 4Å; I390-P413 HydrophobicContact CG2-CG 3.54Å
391	V	96.1	Very high	94.3	Very high	14 Å²	14	62.8 Å²	62.8	9%	0.085	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-35.7	176.8	171.1	0	0	0	0	111.4	M365 K369 M387 E388 Q395	M365-V391 HydrophobicContact CG-CG1 4.17Å; M365-V391 HydrophobicContact SD-CG1 4.22Å; K369-V391 HydrophobicContact CG-CG1 4.07Å; K369-V391 HydrophobicContact CG-CG2 3.85Å; M387-V391 WeakPolarHBondContact O-CG2 3.29Å; M387-V391 PolarHBondContact O-N 2.97Å; E388-V391 PolarHBondContact O-N 2.9Å; V391-Q395 WeakPolarHBondContact O-CB 3.38Å; V391-Q395 VanDerWaalsContact O-CG 3.28Å; V391-Q395 WeakPolarHBondContact O-CG 3.47Å; V391-Q395 PolarHBondContact O-N 2.83Å
392	K	95.9	Very high	94.3	Very high	119 Å²	119	65 Å²	65	52%	0.517	32%	0.316	S	S	.	.	H	α-helix	trans	-69.9	-35.9	174.8	-71.6	163.4	-174.4	158.4	0	113.1	E388 R389 I390 Q395 T396	E388-K392 WeakPolarHBondContact O-CG 3.44Å; E388-K392 PolarHBondContact O-N 3.43Å; E388-K392 IonicContact OE2-NZ 3.73Å; R389-K392 PolarHBondContact O-N 2.87Å; I390-K392 PolarHBondContact O-N 3.05Å; K392-Q395 PolarHBondContact O-N 3.33Å; K392-T396 WeakPolarHBondContact O-CB 3.5Å; K392-T396 PolarHBondContact O-N 3.16Å; K392-T396 PolarHBondContact O-OG1 3.18Å
393	Q	95	Very high	94.2	Very high	76 Å²	76	65 Å²	65	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-61.5	-49.4	171.9	-68	169.9	-50.4	0	0	110.7	R389 I390 Q395 T396 V397 L412	R389-Q393 PolarHBondContact O-N 3.15Å; R389-Q393 VanDerWaalsContact O-N 3.15Å; I390-Q393 WeakPolarHBondContact O-CB 3.39Å; I390-Q393 PolarHBondContact O-N 3.15Å; Q393-Q395 PolarHBondContact O-N 3.43Å; Q393-T396 WeakPolarHBondContact O-CB 3.22Å; Q393-T396 PolarHBondContact O-N 3.39Å; Q393-T396 VanDerWaalsContact O-N 3.1Å; Q393-V397 PolarHBondContact O-N 3.1Å; Q393-L412 HydrophobicContact CB-CD2 3.84Å
394	Y	95.4	Very high	93.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.6	-44.5	175.6	-89	-91	0	0	0	112.6	L361 R364 M365 Y368 I390 T396 V397 I398 L412 P413 F421	L361-Y394 HydrophobicContact CB-CD1 4.41Å; L361-Y394 HydrophobicContact CD2-CD1 4Å; L361-Y394 HydrophobicContact CD2-CE1 3.79Å; L361-Y394 WeakPolarHBondContact O-CD1 3.35Å; R364-Y394 HydrophobicContact CB-CD1 4.29Å; R364-Y394 HydrophobicContact CB-CE1 3.43Å; R364-Y394 VanDerWaalsContact CB-CE1 3.43Å; R364-Y394 HydrophobicContact CG-CE1 4.35Å; M365-Y394 HydrophobicContact CB-CD1 4.23Å; M365-Y394 HydrophobicContact CB-CG 4.23Å; Y368-Y394 HydrophobicContact CD2-CD2 4.24Å; Y368-Y394 AromaticContact CD2-CE2 3.88Å; Y368-Y394 HydrophobicContact CD2-CE2 3.88Å; Y368-Y394 HydrophobicContact CE2-CD2 4.42Å; Y368-Y394 AromaticContact CE2-CE2 3.62Å; Y368-Y394 HydrophobicContact CE2-CE2 3.62Å; I390-Y394 HydrophobicContact CG2-CD2 3.88Å; I390-Y394 HydrophobicContact CG2-CE2 3.97Å; I390-Y394 PolarHBondContact O-N 2.86Å; Y394-T396 VanDerWaalsContact C-N 3.29Å; Y394-T396 PolarHBondContact O-N 3.39Å; Y394-V397 PolarHBondContact O-N 3.49Å; Y394-I398 VanDerWaalsContact O-CG1 3.3Å; Y394-I398 WeakPolarHBondContact O-CG1 3.36Å; Y394-I398 PolarHBondContact O-N 3.3Å; Y394-L412 HydrophobicContact CD1-CD1 4.11Å; Y394-L412 HydrophobicContact CD2-CD2 3.95Å; Y394-L412 HydrophobicContact CE1-CD1 3.95Å; Y394-L412 HydrophobicContact CE2-CB 4.14Å; Y394-L412 HydrophobicContact CE2-CD2 4.14Å; Y394-L412 HydrophobicContact CG-CD2 4.19Å; Y394-P413 PolarHBondContact OH-O 3.31Å; Y394-F421 HydrophobicContact CE1-CZ 4.34Å
395	Q	95.3	Very high	93.3	Very high	100 Å²	100	69.3 Å²	69.3	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-60.7	-37	174.7	-75.3	173.2	4.3	0	0	112.9	M365 V391 K392 Q393 G399	M365-Q395 HydrophobicContact SD-CG 3.74Å; V391-Q395 WeakPolarHBondContact O-CB 3.38Å; V391-Q395 VanDerWaalsContact O-CG 3.28Å; V391-Q395 WeakPolarHBondContact O-CG 3.47Å; V391-Q395 PolarHBondContact O-N 2.83Å; K392-Q395 PolarHBondContact O-N 3.33Å; Q393-Q395 PolarHBondContact O-N 3.43Å; Q395-G399 PolarHBondContact O-N 2.91Å
396	T	93.4	Very high	92.8	Very high	100 Å²	100	66.8 Å²	66.8	61%	0.613	37%	0.367	S	S	*	.	H	α-helix	trans	-66.3	-43.5	178	-58.8	0	0	0	0	111.2	K392 Q393 Y394 G399 A400	K392-T396 WeakPolarHBondContact O-CB 3.5Å; K392-T396 PolarHBondContact O-N 3.16Å; K392-T396 PolarHBondContact O-OG1 3.18Å; Q393-T396 WeakPolarHBondContact O-CB 3.22Å; Q393-T396 PolarHBondContact O-N 3.39Å; Q393-T396 VanDerWaalsContact O-N 3.1Å; Y394-T396 VanDerWaalsContact C-N 3.29Å; Y394-T396 PolarHBondContact O-N 3.39Å; T396-G399 PolarHBondContact O-N 2.98Å; T396-A400 WeakPolarHBondContact O-CB 3.16Å; T396-A400 PolarHBondContact O-N 3.42Å
397	V	93.6	Very high	92.4	Very high	15 Å²	15	64 Å²	64	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-68.5	-43.2	177.1	174.3	0	0	0	0	111.8	L361 Q393 Y394 G399 A400 I401 Y407 L409 L412	L361-V397 HydrophobicContact CD1-CG1 3.91Å; Q393-V397 PolarHBondContact O-N 3.1Å; Y394-V397 PolarHBondContact O-N 3.49Å; V397-G399 VanDerWaalsContact C-N 3.29Å; V397-G399 PolarHBondContact O-N 3.29Å; V397-A400 WeakPolarHBondContact O-CB 3.36Å; V397-A400 PolarHBondContact O-N 2.97Å; V397-A400 VanDerWaalsContact O-N 3.16Å; V397-I401 HydrophobicContact CG1-CD1 3.93Å; V397-I401 WeakPolarHBondContact O-CG1 3.35Å; V397-I401 PolarHBondContact O-N 2.85Å; V397-Y407 HydrophobicContact CG1-CD2 3.99Å; V397-Y407 HydrophobicContact CG1-CG 4.3Å; V397-L409 HydrophobicContact CG1-CD2 4.05Å; V397-L412 HydrophobicContact CB-CD1 4.11Å; V397-L412 HydrophobicContact CG1-CD1 4.08Å; V397-L412 HydrophobicContact CG2-CD1 4Å; V397-L412 HydrophobicContact CG2-CD2 4Å; V397-L412 HydrophobicContact CG2-CG 4.15Å
398	I	93.4	Very high	91.8	Very high	14 Å²	14	67 Å²	67	7%	0.072	37%	0.371	C	S	.	.	H	α-helix	trans	-60.1	-41.3	173.4	-67.3	163.5	0	0	0	110.6	V358 L361 E362 M365 Y394 I401 N402	V358-I398 HydrophobicContact CG1-CG2 4.21Å; L361-I398 HydrophobicContact CB-CD1 3.97Å; L361-I398 HydrophobicContact CB-CG1 3.73Å; L361-I398 HydrophobicContact CD1-CG1 4.17Å; E362-I398 HydrophobicContact CG-CD1 3.96Å; M365-I398 HydrophobicContact CE-CD1 3.73Å; M365-I398 HydrophobicContact SD-CD1 4.41Å; Y394-I398 VanDerWaalsContact O-CG1 3.3Å; Y394-I398 WeakPolarHBondContact O-CG1 3.36Å; Y394-I398 PolarHBondContact O-N 3.3Å; I398-I401 PolarHBondContact O-N 3Å; I398-N402 WeakPolarHBondContact CG2-ND2 3.28Å; I398-N402 VanDerWaalsContact O-CB 3.32Å; I398-N402 WeakPolarHBondContact O-CB 3.43Å; I398-N402 PolarHBondContact O-N 3.22Å; I398-N402 PolarHBondContact O-ND2 3.18Å
399	G	92.5	Very high	91.4	Very high	35 Å²	35	63.6 Å²	63.6	36%	0.361	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-36.4	174.5	0	0	0	0	0	113.7	Q395 T396 V397 S403	Q395-G399 PolarHBondContact O-N 2.91Å; T396-G399 PolarHBondContact O-N 2.98Å; V397-G399 VanDerWaalsContact C-N 3.29Å; V397-G399 PolarHBondContact O-N 3.29Å; G399-S403 WeakPolarHBondContact O-CB 3.24Å; G399-S403 PolarHBondContact O-N 2.82Å; G399-S403 VanDerWaalsContact O-N 3.1Å; G399-S403 PolarHBondContact O-OG 3.44Å
400	A	90.6	Very high	90.8	Very high	12 Å²	12	61.6 Å²	61.6	10%	0.099	36%	0.36	C	S	.	.	H	α-helix	trans	-66.6	-48.4	174.6	0	0	0	0	0	111.5	T396 V397 N402 S403 G404 K405	T396-A400 WeakPolarHBondContact O-CB 3.16Å; T396-A400 PolarHBondContact O-N 3.42Å; V397-A400 WeakPolarHBondContact O-CB 3.36Å; V397-A400 PolarHBondContact O-N 2.97Å; V397-A400 VanDerWaalsContact O-N 3.16Å; A400-N402 PolarHBondContact O-N 3.14Å; A400-S403 CarbonylContact O-C 3.45Å; A400-S403 PolarHBondContact O-N 2.88Å; A400-S403 VanDerWaalsContact O-N 3.11Å; A400-S403 PolarHBondContact O-OG 2.94Å; A400-G404 PolarHBondContact O-N 2.93Å; A400-K405 HydrophobicContact CB-CB 4.18Å; A400-K405 PolarHBondContact O-N 2.82Å
401	I	91.5	Very high	90.2	Very high	22 Å²	22	65.4 Å²	65.4	11%	0.113	38%	0.381	C	S	.	.	H	α-helix	trans	-57.5	-49.9	175.5	-67.1	162.2	0	0	0	110.7	V358 L361 V397 I398 S403 G404 Y407	V358-I401 HydrophobicContact CG2-CB 4.41Å; V358-I401 HydrophobicContact CG2-CG2 3.72Å; L361-I401 HydrophobicContact CD1-CD1 3.3Å; V397-I401 HydrophobicContact CG1-CD1 3.93Å; V397-I401 WeakPolarHBondContact O-CG1 3.35Å; V397-I401 PolarHBondContact O-N 2.85Å; I398-I401 PolarHBondContact O-N 3Å; I401-S403 PolarHBondContact O-N 3.15Å; I401-G404 PolarHBondContact O-N 3.4Å; I401-G404 VanDerWaalsContact O-N 3.13Å; I401-Y407 HydrophobicContact CD1-CD2 4.29Å; I401-Y407 HydrophobicContact CD1-CE1 4.43Å; I401-Y407 HydrophobicContact CD1-CE2 4.09Å; I401-Y407 HydrophobicContact CG1-CD1 3.62Å; I401-Y407 HydrophobicContact CG1-CD2 4.15Å; I401-Y407 HydrophobicContact CG1-CE1 3.51Å; I401-Y407 HydrophobicContact CG1-CE2 4.03Å; I401-Y407 HydrophobicContact CG1-CG 3.96Å
402	N	91	Very high	89.9	Confident	115 Å²	115	65.1 Å²	65.1	62%	0.615	38%	0.379	S	S	*	.	H	α-helix	trans	-66.3	-17	179.2	-74.9	-29.7	0	0	0	114.1	I398 A400	I398-N402 WeakPolarHBondContact CG2-ND2 3.28Å; I398-N402 VanDerWaalsContact O-CB 3.32Å; I398-N402 WeakPolarHBondContact O-CB 3.43Å; I398-N402 PolarHBondContact O-N 3.22Å; I398-N402 PolarHBondContact O-ND2 3.18Å; A400-N402 PolarHBondContact O-N 3.14Å
403	S	89.5	Confident	89.7	Confident	68 Å²	68	61.8 Å²	61.8	48%	0.476	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	5.7	174.8	58.4	0	0	0	0	114.1	G399 A400 I401 K405	G399-S403 WeakPolarHBondContact O-CB 3.24Å; G399-S403 PolarHBondContact O-N 2.82Å; G399-S403 VanDerWaalsContact O-N 3.1Å; G399-S403 PolarHBondContact O-OG 3.44Å; A400-S403 CarbonylContact O-C 3.45Å; A400-S403 PolarHBondContact O-N 2.88Å; A400-S403 VanDerWaalsContact O-N 3.11Å; A400-S403 PolarHBondContact O-OG 2.94Å; I401-S403 PolarHBondContact O-N 3.15Å; S403-K405 PolarHBondContact O-N 3.4Å; S403-K405 WeakPolarHBondContact OG-CD 3.4Å; S403-K405 WeakPolarHBondContact OG-CG 3.28Å
404	G	85.9	Confident	89.4	Confident	73 Å²	73	60.8 Å²	60.8	75%	0.753	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	20.2	-179.4	0	0	0	0	0	114.5	A400 I401	A400-G404 PolarHBondContact O-N 2.93Å; I401-G404 PolarHBondContact O-N 3.4Å; I401-G404 VanDerWaalsContact O-N 3.13Å
405	K	87	Confident	89.1	Confident	140 Å²	140	60.9 Å²	60.9	61%	0.609	37%	0.369	S	S	*	.			trans	-83.2	156.4	176.7	-65.1	180	-177.1	-177	0	110.5	A400 S403 Y407	A400-K405 HydrophobicContact CB-CB 4.18Å; A400-K405 PolarHBondContact O-N 2.82Å; S403-K405 PolarHBondContact O-N 3.4Å; S403-K405 WeakPolarHBondContact OG-CD 3.4Å; S403-K405 WeakPolarHBondContact OG-CG 3.28Å; K405-Y407 WeakPolarHBondContact O-CD1 3.43Å
406	A	84.7	Confident	88.7	Confident	104 Å²	104	62 Å²	62	86%	0.86	39%	0.385	S	S	*	.			trans	-58.4	142.2	168	0	0	0	0	0	110.9
407	Y	85.2	Confident	88.3	Confident	80 Å²	80	61.4 Å²	61.4	31%	0.314	40%	0.399	S	S	.	.			trans	-144.2	154.3	177.5	59.5	-85.6	0	0	0	109.2	M357 V397 I401 K405 L409	M357-Y407 HydrophobicContact CE-CE2 4.15Å; M357-Y407 VanDerWaalsContact CE-OH 3.3Å; M357-Y407 WeakPolarHBondContact CE-OH 3.46Å; V397-Y407 HydrophobicContact CG1-CD2 3.99Å; V397-Y407 HydrophobicContact CG1-CG 4.3Å; I401-Y407 HydrophobicContact CD1-CD2 4.29Å; I401-Y407 HydrophobicContact CD1-CE1 4.43Å; I401-Y407 HydrophobicContact CD1-CE2 4.09Å; I401-Y407 HydrophobicContact CG1-CD1 3.62Å; I401-Y407 HydrophobicContact CG1-CD2 4.15Å; I401-Y407 HydrophobicContact CG1-CE1 3.51Å; I401-Y407 HydrophobicContact CG1-CE2 4.03Å; I401-Y407 HydrophobicContact CG1-CG 3.96Å; K405-Y407 WeakPolarHBondContact O-CD1 3.43Å; Y407-L409 HydrophobicContact CD2-CD2 4.02Å; Y407-L409 HydrophobicContact CD2-CG 3.97Å; Y407-L409 HydrophobicContact CE2-CD1 4.12Å; Y407-L409 HydrophobicContact CE2-CD2 4.02Å; Y407-L409 HydrophobicContact CE2-CG 3.84Å
408	H	84.4	Confident	87.9	Confident	89 Å²	89	63.9 Å²	63.9	41%	0.412	41%	0.408	S	S	.	.			trans	-120	117.5	179.6	-167.9	-132.9	0	0	0	107.9	S410 D411	H408-S410 PolarHBondContact CD2-OG 3.33Å; H408-S410 WeakPolarHBondContact CE1-CB 3.42Å; H408-S410 PolarHBondContact CE1-OG 2.96Å; H408-S410 VanDerWaalsContact CE1-OG 3.23Å; H408-S410 PolarHBondContact NE2-OG 3.14Å; H408-D411 IonicContact CE1-OD1 2.71Å; H408-D411 PolarHBondContact CE1-OD1 2.96Å; H408-D411 IonicContact CE1-OD2 2.69Å; H408-D411 IonicContact CG-OD2 2.74Å; H408-D411 IonicContact ND1-OD1 3.27Å; H408-D411 PolarHBondContact ND1-OD1 3.33Å; H408-D411 IonicContact ND1-OD2 3.62Å; H408-D411 PolarHBondContact ND1-OD2 3.41Å
409	L	86.4	Confident	87.4	Confident	12 Å²	12	70.7 Å²	70.7	6%	0.063	44%	0.44	C	S	.	.	S	Bend	trans	-79.9	-21.8	-178.4	-69.5	173.3	0	0	0	112.5	M357 L361 V397 Y407 D411 L412 F421	M357-L409 HydrophobicContact CE-CD1 4.04Å; L361-L409 HydrophobicContact CD1-CD2 4.43Å; L361-L409 HydrophobicContact CD2-CD2 4.21Å; V397-L409 HydrophobicContact CG1-CD2 4.05Å; Y407-L409 HydrophobicContact CD2-CD2 4.02Å; Y407-L409 HydrophobicContact CD2-CG 3.97Å; Y407-L409 HydrophobicContact CE2-CD1 4.12Å; Y407-L409 HydrophobicContact CE2-CD2 4.02Å; Y407-L409 HydrophobicContact CE2-CG 3.84Å; L409-D411 PolarHBondContact O-N 3.29Å; L409-L412 HydrophobicContact CD2-CD1 4.28Å; L409-L412 PolarHBondContact O-N 2.69Å; L409-F421 HydrophobicContact CB-CB 4.18Å; L409-F421 HydrophobicContact CB-CD1 4.45Å; L409-F421 HydrophobicContact CB-CG 4.17Å; L409-F421 HydrophobicContact CD1-CD1 4.48Å; L409-F421 HydrophobicContact CD2-CD1 4.43Å; L409-F421 HydrophobicContact CD2-CE1 4.47Å; L409-F421 WeakPolarHBondContact O-CD2 3.4Å
410	S	84.4	Confident	86.8	Confident	83 Å²	83	74.2 Å²	74.2	58%	0.58	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.4	-176.1	-32.3	0	0	0	0	113.3	H408 L412	H408-S410 PolarHBondContact CD2-OG 3.33Å; H408-S410 WeakPolarHBondContact CE1-CB 3.42Å; H408-S410 PolarHBondContact CE1-OG 2.96Å; H408-S410 VanDerWaalsContact CE1-OG 3.23Å; H408-S410 PolarHBondContact NE2-OG 3.14Å; S410-L412 VanDerWaalsContact C-N 3.31Å
411	D	82.8	Confident	86.1	Confident	102 Å²	102	75.5 Å²	75.5	55%	0.545	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-4.7	-175.6	-46.9	-32.7	0	0	0	113	H408 L409	H408-D411 IonicContact CE1-OD1 2.71Å; H408-D411 PolarHBondContact CE1-OD1 2.96Å; H408-D411 IonicContact CE1-OD2 2.69Å; H408-D411 IonicContact CG-OD2 2.74Å; H408-D411 IonicContact ND1-OD1 3.27Å; H408-D411 PolarHBondContact ND1-OD1 3.33Å; H408-D411 IonicContact ND1-OD2 3.62Å; H408-D411 PolarHBondContact ND1-OD2 3.41Å; L409-D411 PolarHBondContact O-N 3.29Å
412	L	90.2	Very high	84.7	Confident	9 Å²	9	78 Å²	78	5%	0.047	48%	0.479	C	S	.	.	S	Bend	trans	-88.9	122	179.1	-67	-178	0	0	0	110.4	L361 Q393 Y394 V397 L409 S410 V414 F421	L361-L412 HydrophobicContact CD2-CD1 3.59Å; Q393-L412 HydrophobicContact CB-CD2 3.84Å; Y394-L412 HydrophobicContact CD1-CD1 4.11Å; Y394-L412 HydrophobicContact CD2-CD2 3.95Å; Y394-L412 HydrophobicContact CE1-CD1 3.95Å; Y394-L412 HydrophobicContact CE2-CB 4.14Å; Y394-L412 HydrophobicContact CE2-CD2 4.14Å; Y394-L412 HydrophobicContact CG-CD2 4.19Å; V397-L412 HydrophobicContact CB-CD1 4.11Å; V397-L412 HydrophobicContact CG1-CD1 4.08Å; V397-L412 HydrophobicContact CG2-CD1 4Å; V397-L412 HydrophobicContact CG2-CD2 4Å; V397-L412 HydrophobicContact CG2-CG 4.15Å; L409-L412 HydrophobicContact CD2-CD1 4.28Å; L409-L412 PolarHBondContact O-N 2.69Å; S410-L412 VanDerWaalsContact C-N 3.31Å; L412-V414 PolarHBondContact O-N 3.46Å; L412-F421 HydrophobicContact CB-CE2 3.66Å; L412-F421 HydrophobicContact CB-CZ 4.05Å; L412-F421 HydrophobicContact CD1-CE2 4.49Å; L412-F421 HydrophobicContact CD1-CZ 4.14Å
413	P	91.2	Very high	82.8	Confident	48 Å²	48	78.2 Å²	78.2	31%	0.312	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-66.3	137.1	174.1	28.9	-34.6	0	0	0	110	Y368 I390 Y394	Y368-P413 HydrophobicContact CE2-CG 4.5Å; Y368-P413 PolarHBondContact OH-O 2.85Å; Y368-P413 VanDerWaalsContact OH-O 3.06Å; I390-P413 HydrophobicContact CB-CG 4.4Å; I390-P413 HydrophobicContact CD1-CG 4.02Å; I390-P413 HydrophobicContact CG1-CG 4Å; I390-P413 HydrophobicContact CG2-CG 3.54Å; Y394-P413 PolarHBondContact OH-O 3.31Å
414	V	90	Very high	80.8	Confident	56 Å²	56	79.7 Å²	79.7	34%	0.339	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-86.5	126.4	-179	179.1	0	0	0	0	109.3	Y368 L412 F418 F421	Y368-V414 VanDerWaalsContact OH-C 3.28Å; Y368-V414 PolarHBondContact OH-O 3.18Å; L412-V414 PolarHBondContact O-N 3.46Å; V414-F418 HydrophobicContact CG1-CB 4.02Å; V414-F418 WeakPolarHBondContact CG1-O 3.48Å; V414-F421 HydrophobicContact CG2-CD2 3.88Å; V414-F421 HydrophobicContact CG2-CE2 3.83Å
415	P	88.7	Confident	79	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.006	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-68.3	147.1	177.1	-4.6	13.7	0	0	0	111.7	R364 V367 Y368 G417 F418	R364-P415 HydrophobicContact CB-CG 3.78Å; R364-P415 HydrophobicContact CG-CG 3.97Å; V367-P415 HydrophobicContact CB-CB 4.03Å; V367-P415 HydrophobicContact CB-CG 4.38Å; V367-P415 HydrophobicContact CG1-CB 3.97Å; V367-P415 HydrophobicContact CG2-CB 4.13Å; V367-P415 HydrophobicContact CG2-CG 4.38Å; Y368-P415 HydrophobicContact CD2-CG 4.4Å; Y368-P415 HydrophobicContact CE2-CB 4.22Å; Y368-P415 HydrophobicContact CE2-CG 3.68Å; P415-G417 PolarHBondContact O-N 3.31Å; P415-F418 HydrophobicContact CB-CD2 3.8Å; P415-F418 HydrophobicContact CB-CE2 4.28Å; P415-F418 HydrophobicContact CB-CG 4.47Å; P415-F418 HydrophobicContact CG-CB 4.48Å; P415-F418 HydrophobicContact CG-CD2 3.87Å; P415-F418 HydrophobicContact CG-CE2 4.32Å; P415-F418 HydrophobicContact CG-CG 4.14Å; P415-F418 PolarHBondContact O-N 2.74Å
416	P	85.9	Confident	76.8	Confident	125 Å²	125	74.6 Å²	74.6	81%	0.812	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	126.2	174.7	-26.6	35.2	0	0	0	112.1
417	G	85.4	Confident	74.6	Confident	87 Å²	87	78.7 Å²	78.7	90%	0.897	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-2.4	-178	0	0	0	0	0	115.7	P415	P415-G417 PolarHBondContact O-N 3.31Å
418	F	86.2	Confident	72.6	Confident	66 Å²	66	81.5 Å²	81.5	29%	0.289	50%	0.497	S	S	.	.	S	Bend	trans	-98.6	149.2	171.4	-73.7	-107.5	0	0	0	111.1	A363 R364 V367 V414 P415	A363-F418 HydrophobicContact CB-CE1 4.07Å; A363-F418 HydrophobicContact CB-CZ 4.43Å; R364-F418 HydrophobicContact CG-CB 4.49Å; R364-F418 HydrophobicContact CG-CD1 3.41Å; R364-F418 VanDerWaalsContact CG-CD1 3.41Å; R364-F418 HydrophobicContact CG-CE1 3.73Å; R364-F418 HydrophobicContact CG-CG 4Å; V367-F418 HydrophobicContact CG2-CE2 3.61Å; V367-F418 HydrophobicContact CG2-CZ 4Å; V414-F418 HydrophobicContact CG1-CB 4.02Å; V414-F418 WeakPolarHBondContact CG1-O 3.48Å; P415-F418 HydrophobicContact CB-CD2 3.8Å; P415-F418 HydrophobicContact CB-CE2 4.28Å; P415-F418 HydrophobicContact CB-CG 4.47Å; P415-F418 HydrophobicContact CG-CB 4.48Å; P415-F418 HydrophobicContact CG-CD2 3.87Å; P415-F418 HydrophobicContact CG-CE2 4.32Å; P415-F418 HydrophobicContact CG-CG 4.14Å; P415-F418 PolarHBondContact O-N 2.74Å
419	E	82.8	Confident	70.4	Confident	158 Å²	158	83.7 Å²	83.7	74%	0.738	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-71.7	142.2	177.9	-63.5	-173.9	168.3	0	0	111.3	R364	R364-E419 PolarHBondContact NH1-O 2.71Å; R364-E419 PolarHBondContact NH2-O 3.32Å
420	P	79.2	Confident	67.9	Low	109 Å²	109	91.7 Å²	91.7	71%	0.708	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-54.9	145.1	172.4	-25	34.7	0	0	0	112.3	S422	P420-S422 PolarHBondContact O-N 2.74Å
421	F	75.7	Confident	65.6	Low	39 Å²	39	93.4 Å²	93.4	17%	0.171	57%	0.565	C	S	.	*	P	Polyproline II helix	trans	-62.5	128.9	176.9	-61.6	-71.7	0	0	0	110.5	L361 R364 Y394 L409 L412 V414 S423	L361-F421 HydrophobicContact CD2-CE1 3.85Å; L361-F421 HydrophobicContact CD2-CZ 4.05Å; R364-F421 VanDerWaalsContact CD-CZ 3.49Å; R364-F421 VanDerWaalsContact CZ-CE1 3.44Å; Y394-F421 HydrophobicContact CE1-CZ 4.34Å; L409-F421 HydrophobicContact CB-CB 4.18Å; L409-F421 HydrophobicContact CB-CD1 4.45Å; L409-F421 HydrophobicContact CB-CG 4.17Å; L409-F421 HydrophobicContact CD1-CD1 4.48Å; L409-F421 HydrophobicContact CD2-CD1 4.43Å; L409-F421 HydrophobicContact CD2-CE1 4.47Å; L409-F421 WeakPolarHBondContact O-CD2 3.4Å; L412-F421 HydrophobicContact CB-CE2 3.66Å; L412-F421 HydrophobicContact CB-CZ 4.05Å; L412-F421 HydrophobicContact CD1-CE2 4.49Å; L412-F421 HydrophobicContact CD1-CZ 4.14Å; V414-F421 HydrophobicContact CG2-CD2 3.88Å; V414-F421 HydrophobicContact CG2-CE2 3.83Å; F421-S423 PolarHBondContact O-N 3.22Å
422	S	62.5	Low	63.3	Low	74 Å²	74	97.6 Å²	97.6	52%	0.517	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-64.8	125	178.8	-173.4	0	0	0	0	110.5	P420 S424 S425	P420-S422 PolarHBondContact O-N 2.74Å; S422-S424 PolarHBondContact O-N 2.87Å; S422-S424 PolarHBondContact OG-OG 2.99Å; S422-S425 PolarHBondContact O-N 3.06Å; S422-S425 PolarHBondContact O-OG 2.72Å
423	S	50.9	Low	60.7	Low	119 Å²	119	102 Å²	102	83%	0.832	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-66.1	-6.6	-179.6	52.6	0	0	0	0	114.2	F421 S425	F421-S423 PolarHBondContact O-N 3.22Å; S423-S425 VanDerWaalsContact C-N 3.29Å; S423-S425 PolarHBondContact O-N 2.66Å
424	S	48.2	Very low	58.1	Low	99 Å²	99	104.8 Å²	104.8	69%	0.692	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-85	10.7	175.4	69.8	0	0	0	0	114.7	S422	S422-S424 PolarHBondContact O-N 2.87Å; S422-S424 PolarHBondContact OG-OG 2.99Å
425	S	47.9	Very low	55.8	Low	50 Å²	50	108.2 Å²	108.2	35%	0.35	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-102.4	-6.2	-176.4	-65.9	0	0	0	0	114.7	S422 S423	S422-S425 PolarHBondContact O-N 3.06Å; S422-S425 PolarHBondContact O-OG 2.72Å; S423-S425 VanDerWaalsContact C-N 3.29Å; S423-S425 PolarHBondContact O-N 2.66Å
426	S	39.9	Very low	53.6	Low	56 Å²	56	112.9 Å²	112.9	39%	0.392	69%	0.688	S	S	.	*	S	Bend	trans	-85.6	152.2	174.2	-64.7	0	0	0	0	111.6
427	E	39	Very low	51.7	Low	191 Å²	191	116.3 Å²	116.3	89%	0.893	69%	0.693	S	S	*	*			trans	64.3	101.6	178.4	-56.9	-161.9	119.2	0	0	117.4
428	V	42.7	Very low	49.5	Very low	139 Å²	139	119.1 Å²	119.1	84%	0.842	69%	0.687	S	S	*	*			trans	-125.6	94	155.7	-178.6	0	0	0	0	109.5
429	V	38.7	Very low	47.5	Very low	134 Å²	134	123.1 Å²	123.1	81%	0.812	72%	0.717	S	S	*	*			trans	44.9	112.2	145	-171.2	0	0	0	0	118.4
430	E	33.8	Very low	45.4	Very low	181 Å²	181	120.2 Å²	120.2	85%	0.846	71%	0.711	S	S	*	*				-162.9	113.9	114.4	-175.7	144.6	-138.8	0	0	113
431	S	35.5	Very low	43.7	Very low	119 Å²	119	123.8 Å²	123.8	83%	0.832	72%	0.719	S	S	*	*			trans	-150.1	137.7	152.3	65.1	0	0	0	0	110.9
432	K	34.1	Very low	41.9	Very low	189 Å²	189	126.4 Å²	126.4	82%	0.822	74%	0.742	S	S	*	*			trans	-124.8	161.9	-178.6	-118.8	-155.7	168.4	178.1	0	109.5
433	P	36.3	Very low	40.9	Very low	102 Å²	102	130.1 Å²	130.1	66%	0.662	75%	0.753	S	S	*	*				-131.2	177.9	-112.3	38	-20.2	0	0	0	115.5
434	S	36.8	Very low	40.2	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	75%	0.75	S	S	*	*			trans	63.6	115.4	154.8	62.7	0	0	0	0	119.5
435	S	41.9	Very low	39.6	Very low	127 Å²	127	131.7 Å²	131.7	89%	0.888	76%	0.756	S	S	*	*				-137.1	134.2	127.2	-171.7	0	0	0	0	107.9
436	S	43	Very low	38.8	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	78%	0.775	S	S	*	*			trans	-114	143.8	-168.9	-49.9	0	0	0	0	111.9
437	Q	45.9	Very low	38.6	Very low	197 Å²	197	137.8 Å²	137.8	92%	0.921	79%	0.792	S	S	*	*			trans	-142.8	141.4	145.5	-74.1	-155.8	-34.6	0	0	110.6
438	D	38.6	Very low	38.1	Very low	146 Å²	146	133.5 Å²	133.5	78%	0.781	79%	0.789	S	S	*	*			trans	-91.7	144.7	-168.3	-54.7	-103.5	0	0	0	114.5
439	V	44.2	Very low	37.7	Very low	149 Å²	149	136.8 Å²	136.8	90%	0.903	79%	0.788	S	S	*	*				-145.5	132.7	125.8	-137.8	0	0	0	0	109.5
440	P	38.1	Very low	37.3	Very low	97 Å²	97	141.7 Å²	141.7	63%	0.63	79%	0.792	S	S	*	*			trans	-114.5	-180	-168.7	40.6	-33.7	0	0	0	116.1
441	Q	43.7	Very low	37.5	Very low	184 Å²	184	142.8 Å²	142.8	86%	0.86	79%	0.79	S	S	*	*			trans	92.4	142.2	167	-56.3	177.2	16.1	0	0	117.7
442	S	38	Very low	37.5	Very low	94 Å²	94	145.4 Å²	145.4	66%	0.657	78%	0.782	S	S	*	*			cis	-168	170.8	-22.9	64.6	0	0	0	0	112.1
443	M	41.1	Very low	37.2	Very low	153 Å²	153	144.8 Å²	144.8	75%	0.754	78%	0.781	S	S	*	*			trans	71.1	91.5	154.9	-64.3	-57.7	173	0	0	121.1
444	T	37.5	Very low	37.3	Very low	126 Å²	126	149.4 Å²	149.4	77%	0.773	79%	0.786	S	S	*	*				66.3	156.6	121.3	42.4	0	0	0	0	121.7
445	P	35.6	Very low	37.2	Very low	124 Å²	124	149.8 Å²	149.8	81%	0.805	78%	0.784	S	S	*	*			trans	-110	161.9	-149.2	40.6	-35.1	0	0	0	116
446	G	31	Very low	37.2	Very low	73 Å²	73	149.1 Å²	149.1	75%	0.753	78%	0.779	S	S	*	*			trans	92.8	99.7	143.1	0	0	0	0	0	117
447	Q	35.3	Very low	37.1	Very low	161 Å²	161	150.6 Å²	150.6	75%	0.752	79%	0.786	S	S	*	*			trans	-152.9	135	139.8	-115.7	168.4	40.3	0	0	111.1	Y449	Q447-Y449 HydrophobicContact CB-CD1 4.42Å; Q447-Y449 HydrophobicContact CB-CE1 4.11Å; Q447-Y449 WeakPolarHBondContact O-CE1 3.48Å
448	A	28.1	Very low	36.7	Very low	101 Å²	101	144.6 Å²	144.6	84%	0.835	78%	0.777	S	S	*	*			trans	-85.1	109.6	173	0	0	0	0	0	109.5	R450	A448-R450 PolarHBondContact O-N 2.72Å; A448-R450 VanDerWaalsContact O-N 3.16Å
449	Y	34.8	Very low	37.2	Very low	209 Å²	209	144 Å²	144	82%	0.82	78%	0.781	S	S	*	*			trans	-80.8	95.9	-178.7	-27.9	-69.8	0	0	0	110.9	Q447 Y451	Q447-Y449 HydrophobicContact CB-CD1 4.42Å; Q447-Y449 HydrophobicContact CB-CE1 4.11Å; Q447-Y449 WeakPolarHBondContact O-CE1 3.48Å; Y449-Y451 PolarHBondContact O-N 3.44Å
450	R	30.9	Very low	37.2	Very low	237 Å²	237	146.2 Å²	146.2	89%	0.894	78%	0.779	S	S	*	*			trans	-71	120.5	161.9	-79.1	-178.1	169.7	177.8	-3.7	109.6	A448	A448-R450 PolarHBondContact O-N 2.72Å; A448-R450 VanDerWaalsContact O-N 3.16Å
451	Y	37.1	Very low	37.2	Very low	204 Å²	204	147.9 Å²	147.9	80%	0.8	79%	0.789	S	S	*	*			trans	-123.8	81.2	158.5	-133	-84.8	0	0	0	108.9	Y449	Y449-Y451 PolarHBondContact O-N 3.44Å
452	R	35.4	Very low	37.1	Very low	174 Å²	174	144.3 Å²	144.3	66%	0.657	79%	0.785	S	S	*	*				88.2	84.1	75.5	-173.6	-179.6	-161.8	159.2	9.2	111.3
453	E	28.7	Very low	37.1	Very low	175 Å²	175	146.9 Å²	146.9	82%	0.818	79%	0.792	S	S	*	*			trans	-39	136.2	153.7	-178.6	179	-147.3	0	0	111.8
454	R	38.2	Very low	37.1	Very low	200 Å²	200	150 Å²	150	76%	0.755	80%	0.801	S	S	*	*			trans	-140	98.6	171	-174.4	-175.8	-71.5	-143.4	3.1	110
455	T	34.9	Very low	37.1	Very low	115 Å²	115	147.3 Å²	147.3	71%	0.706	80%	0.799	S	S	*	*			trans	-66.5	140.7	172	48.5	0	0	0	0	112
456	S	41.3	Very low	36.9	Very low	113 Å²	113	149.7 Å²	149.7	79%	0.79	80%	0.803	S	S	*	*			trans	-161.2	152.9	158.5	-81.8	0	0	0	0	109.3
457	P	39.8	Very low	37.3	Very low	130 Å²	130	151.9 Å²	151.9	84%	0.844	81%	0.807	S	S	*	*			trans	-90.5	145	-149.3	33.6	-36.4	0	0	0	114.9
458	G	38.2	Very low	37.4	Very low	71 Å²	71	148.1 Å²	148.1	73%	0.732	80%	0.803	S	S	*	*			trans	-103.3	-174	172.4	0	0	0	0	0	114.1
459	P	48.9	Very low	37.7	Very low	134 Å²	134	148.2 Å²	148.2	87%	0.87	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-93.9	151.1	171.3	35.6	-30.3	0	0	0	112.9
460	K	44.2	Very low	37.7	Very low	195 Å²	195	143.3 Å²	143.3	85%	0.848	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-48.5	149.6	-174.9	-58.2	160.8	-176.7	175.3	0	115.2
461	P	37.9	Very low	38.4	Very low	132 Å²	132	135 Å²	135	86%	0.857	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-72.4	154.2	168.3	33.3	-35.5	0	0	0	111.9
462	S	42.9	Very low	38.8	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	76%	0.757	S	S	*	*			trans	-137.7	149.8	158.6	56.6	0	0	0	0	107.8
463	D	38.1	Very low	39.6	Very low	148 Å²	148	123.6 Å²	123.6	79%	0.791	75%	0.75	S	S	*	*			trans	-70.7	-175.8	-165.8	-51.3	-87.3	0	0	0	115.2
464	F	41.4	Very low	40.7	Very low	217 Å²	217	117.2 Å²	117.2	95%	0.952	73%	0.728	S	S	*	*			trans	78.3	122.2	-176.1	-52.6	-80.5	0	0	0	115.9
465	G	37.1	Very low	41.7	Very low	71 Å²	71	110.2 Å²	110.2	73%	0.732	71%	0.707	S	S	*	*			trans	151.8	-3.7	163.5	0	0	0	0	0	120.7	S467	G465-S467 PolarHBondContact O-N 3.18Å
466	I	31.7	Very low	43.4	Very low	174 Å²	174	110.6 Å²	110.6	89%	0.892	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	85.3	-177.5	-50.4	177	0	0	0	111.1
467	S	37.7	Very low	44.9	Very low	119 Å²	119	108.2 Å²	108.2	83%	0.832	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.4	5.7	169	-161.4	0	0	0	0	117.2	G465	G465-S467 PolarHBondContact O-N 3.18Å
468	A	39.1	Very low	46.2	Very low	82 Å²	82	105.6 Å²	105.6	68%	0.678	65%	0.653	S	S	*	*	S	Bend	trans	-115.3	-25.5	-167.9	0	0	0	0	0	116.6	C470	A468-C470 PolarHBondContact O-N 2.88Å
469	C	33.3	Very low	47.9	Very low	103 Å²	103	107 Å²	107	70%	0.696	64%	0.637	S	S	*	*	H	α-helix	trans	-74.3	-22.4	-167.4	48	0	0	0	0	115.5
470	C	34.4	Very low	49.3	Very low	105 Å²	105	102.5 Å²	102.5	71%	0.709	61%	0.605	S	S	*	*	H	α-helix	trans	-78.1	-38.2	-174	-55.8	0	0	0	0	113.6	A468 A472 S473	A468-C470 PolarHBondContact O-N 2.88Å; C470-A472 VanDerWaalsContact C-N 3.3Å; C470-A472 PolarHBondContact O-N 3.44Å; C470-S473 PolarHBondContact O-N 2.92Å
471	S	46.7	Very low	51	Low	63 Å²	63	95.2 Å²	95.2	44%	0.441	59%	0.585	S	S	.	*	H	α-helix	trans	-67.6	-27.8	-172.4	-164.8	0	0	0	0	113.8	T475 R632	S471-T475 PolarHBondContact O-OG1 3.3Å; S471-R632 PolarHBondContact OG-NH2 2.9Å
472	A	45.4	Very low	52.8	Low	63 Å²	63	89.9 Å²	89.9	52%	0.521	55%	0.548	S	S	.	.	H	α-helix	trans	-69.8	-32.3	179.3	0	0	0	0	0	112.7	C470 T475 K476	C470-A472 VanDerWaalsContact C-N 3.3Å; C470-A472 PolarHBondContact O-N 3.44Å; A472-T475 WeakPolarHBondContact CA-OG1 3.4Å; A472-T475 PolarHBondContact O-N 3.37Å; A472-T475 PolarHBondContact O-OG1 3.04Å; A472-K476 PolarHBondContact O-N 3.16Å; A472-K476 VanDerWaalsContact O-N 3.16Å
473	S	52.1	Low	54.8	Low	75 Å²	75	86 Å²	86	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-67	-53	-176.3	-165.3	0	0	0	0	111.4	C470 T475 K476 V477	C470-S473 PolarHBondContact O-N 2.92Å; S473-T475 VanDerWaalsContact C-N 3.28Å; S473-T475 PolarHBondContact O-N 3.07Å; S473-K476 CarbonylContact O-C 3.58Å; S473-K476 WeakPolarHBondContact O-CA 3.41Å; S473-K476 WeakPolarHBondContact O-CB 3.04Å; S473-K476 PolarHBondContact O-N 3.48Å; S473-V477 PolarHBondContact O-N 3.04Å
474	A	51.7	Low	57.1	Low	41 Å²	41	81.5 Å²	81.5	34%	0.339	49%	0.494	S	S	.	.	H	α-helix	trans	-58.1	-36.7	176.5	0	0	0	0	0	113.1	E32 K476 V477 Y478	E32-A474 WeakPolarHBondContact OE1-CA 3.48Å; A474-K476 VanDerWaalsContact C-N 3.26Å; A474-K476 PolarHBondContact O-N 2.99Å; A474-V477 PolarHBondContact O-N 3.3Å; A474-Y478 WeakPolarHBondContact O-CB 3.35Å; A474-Y478 PolarHBondContact O-N 3.04Å
475	T	59.4	Low	59.1	Low	54 Å²	54	73.6 Å²	73.6	33%	0.331	46%	0.46	S	S	.	.	H	α-helix	trans	-68	-24.2	174.1	56.8	0	0	0	0	113.8	S471 A472 S473 R479	S471-T475 PolarHBondContact O-OG1 3.3Å; A472-T475 WeakPolarHBondContact CA-OG1 3.4Å; A472-T475 PolarHBondContact O-N 3.37Å; A472-T475 PolarHBondContact O-OG1 3.04Å; S473-T475 VanDerWaalsContact C-N 3.28Å; S473-T475 PolarHBondContact O-N 3.07Å; T475-R479 VanDerWaalsContact O-CB 3.3Å; T475-R479 WeakPolarHBondContact O-CB 3.41Å; T475-R479 PolarHBondContact O-N 2.7Å
476	K	70.4	Confident	61.2	Low	123 Å²	123	71.9 Å²	71.9	54%	0.535	43%	0.433	S	S	.	.	H	α-helix	trans	-77.8	-49.5	170.1	-177	-178.7	179.2	-64.9	0	110.4	A472 S473 A474 Y478 R479 D480	A472-K476 PolarHBondContact O-N 3.16Å; A472-K476 VanDerWaalsContact O-N 3.16Å; S473-K476 CarbonylContact O-C 3.58Å; S473-K476 WeakPolarHBondContact O-CA 3.41Å; S473-K476 WeakPolarHBondContact O-CB 3.04Å; S473-K476 PolarHBondContact O-N 3.48Å; A474-K476 VanDerWaalsContact C-N 3.26Å; A474-K476 PolarHBondContact O-N 2.99Å; K476-Y478 PolarHBondContact O-N 2.92Å; K476-R479 PolarHBondContact O-N 2.85Å; K476-R479 VanDerWaalsContact O-N 3.17Å; K476-D480 WeakPolarHBondContact CG-OD2 3.3Å; K476-D480 IonicContact NZ-OD2 3.06Å; K476-D480 PolarHBondContact NZ-OD2 3.41Å; K476-D480 VanDerWaalsContact O-CB 3.23Å; K476-D480 WeakPolarHBondContact O-CB 3.33Å; K476-D480 PolarHBondContact O-N 3.42Å
477	V	73.3	Confident	63.8	Low	62 Å²	62	63.6 Å²	63.6	38%	0.376	39%	0.391	S	S	.	.	H	α-helix	trans	-57.3	-46.4	-179.9	178.9	0	0	0	0	111.4	E32 S473 A474 D480 G481	E32-V477 HydrophobicContact CG-CG1 4.31Å; S473-V477 PolarHBondContact O-N 3.04Å; A474-V477 PolarHBondContact O-N 3.3Å; V477-D480 PolarHBondContact O-N 3.33Å; V477-G481 PolarHBondContact O-N 3.48Å
478	Y	67.4	Low	66.2	Low	76 Å²	76	61.3 Å²	61.3	30%	0.298	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-46.1	175.5	175.4	-99.7	0	0	0	112.9	A474 K476 D480 K482 T622 G625 D626	A474-Y478 WeakPolarHBondContact O-CB 3.35Å; A474-Y478 PolarHBondContact O-N 3.04Å; K476-Y478 PolarHBondContact O-N 2.92Å; Y478-D480 VanDerWaalsContact C-N 3.33Å; Y478-D480 PolarHBondContact O-N 3.01Å; Y478-K482 HydrophobicContact CE1-CD 4.41Å; Y478-K482 WeakPolarHBondContact O-CB 3.17Å; Y478-K482 PolarHBondContact O-N 3.25Å; Y478-T622 PolarHBondContact OH-O 3.18Å; Y478-G625 WeakPolarHBondContact OH-CA 3.36Å; Y478-D626 PolarHBondContact OH-N 3.07Å
479	R	72.4	Confident	68.3	Low	101 Å²	101	59.1 Å²	59.1	38%	0.381	35%	0.349	S	S	.	.	H	α-helix	trans	-59.3	-47.2	177.6	177.7	-172.9	-62.7	173.3	1.2	110.6	T475 K476 K482 Q483	T475-R479 VanDerWaalsContact O-CB 3.3Å; T475-R479 WeakPolarHBondContact O-CB 3.41Å; T475-R479 PolarHBondContact O-N 2.7Å; K476-R479 PolarHBondContact O-N 2.85Å; K476-R479 VanDerWaalsContact O-N 3.17Å; R479-K482 PolarHBondContact O-N 3.42Å; R479-Q483 WeakPolarHBondContact O-CG 3.36Å; R479-Q483 PolarHBondContact O-N 2.93Å
480	D	79.5	Confident	70.8	Confident	39 Å²	39	54.8 Å²	54.8	21%	0.209	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-48.1	-176.5	-74.4	6.9	0	0	0	110.9	K476 V477 Y478 K482 Q483 L484 F527	K476-D480 WeakPolarHBondContact CG-OD2 3.3Å; K476-D480 IonicContact NZ-OD2 3.06Å; K476-D480 PolarHBondContact NZ-OD2 3.41Å; K476-D480 VanDerWaalsContact O-CB 3.23Å; K476-D480 WeakPolarHBondContact O-CB 3.33Å; K476-D480 PolarHBondContact O-N 3.42Å; V477-D480 PolarHBondContact O-N 3.33Å; Y478-D480 VanDerWaalsContact C-N 3.33Å; Y478-D480 PolarHBondContact O-N 3.01Å; D480-K482 VanDerWaalsContact C-N 3.34Å; D480-K482 PolarHBondContact O-N 3.49Å; D480-Q483 PolarHBondContact O-N 2.96Å; D480-Q483 VanDerWaalsContact O-N 3.15Å; D480-L484 PolarHBondContact O-N 3Å; D480-F527 HydrophobicContact CB-CZ 3.7Å; D480-F527 WeakPolarHBondContact O-CZ 3.32Å
481	G	79.2	Confident	73.4	Confident	41 Å²	41	50.8 Å²	50.8	42%	0.423	29%	0.289	S	S	.	.	H	α-helix	trans	-57.8	-43.2	173.4	0	0	0	0	0	112.5	V477 Q483 L484 Q485	V477-G481 PolarHBondContact O-N 3.48Å; G481-Q483 PolarHBondContact O-N 3.23Å; G481-L484 PolarHBondContact O-N 2.89Å; G481-Q485 VanDerWaalsContact O-CB 3.29Å; G481-Q485 WeakPolarHBondContact O-CB 3.33Å; G481-Q485 PolarHBondContact O-N 2.93Å
482	K	76.4	Confident	75.3	Confident	20 Å²	20	51.3 Å²	51.3	9%	0.087	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-38.9	175.4	-169.8	-173.7	-176.6	-173.3	0	112.4	Y478 R479 D480 Q485 M486 T622 D626 I814	Y478-K482 HydrophobicContact CE1-CD 4.41Å; Y478-K482 WeakPolarHBondContact O-CB 3.17Å; Y478-K482 PolarHBondContact O-N 3.25Å; R479-K482 PolarHBondContact O-N 3.42Å; D480-K482 VanDerWaalsContact C-N 3.34Å; D480-K482 PolarHBondContact O-N 3.49Å; K482-Q485 PolarHBondContact O-N 3.29Å; K482-M486 WeakPolarHBondContact O-CB 3.44Å; K482-M486 PolarHBondContact O-N 3.43Å; K482-T622 HydrophobicContact CG-CG2 4.33Å; K482-D626 IonicContact NZ-OD1 2.66Å; K482-D626 PolarHBondContact NZ-OD1 3.38Å; K482-D626 IonicContact NZ-OD2 2.72Å; K482-D626 PolarHBondContact NZ-OD2 2.9Å; K482-I814 PolarHBondContact NZ-O 3.35Å
483	Q	84.7	Confident	77.1	Confident	29 Å²	29	48.4 Å²	48.4	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-51.3	176.1	-74	-175	9.1	0	0	110.7	R479 D480 G481 Q485 M486 M487 F527 L535	R479-Q483 WeakPolarHBondContact O-CG 3.36Å; R479-Q483 PolarHBondContact O-N 2.93Å; D480-Q483 PolarHBondContact O-N 2.96Å; D480-Q483 VanDerWaalsContact O-N 3.15Å; G481-Q483 PolarHBondContact O-N 3.23Å; Q483-Q485 VanDerWaalsContact C-N 3.34Å; Q483-Q485 PolarHBondContact O-N 3.08Å; Q483-M486 PolarHBondContact O-N 3.18Å; Q483-M487 WeakPolarHBondContact O-CG 3.33Å; Q483-M487 PolarHBondContact O-N 3.11Å; Q483-M487 VanDerWaalsContact O-SD 3.4Å; Q483-F527 HydrophobicContact CB-CD2 4.5Å; Q483-F527 HydrophobicContact CB-CE2 3.85Å; Q483-F527 HydrophobicContact CB-CZ 4.2Å; Q483-L535 HydrophobicContact CB-CD2 4.3Å; Q483-L535 HydrophobicContact CG-CD1 3.93Å; Q483-L535 HydrophobicContact CG-CD2 4Å; Q483-L535 HydrophobicContact CG-CG 4.43Å
484	L	86.7	Confident	79	Confident	54 Å²	54	45.6 Å²	45.6	28%	0.283	24%	0.24	S	C	.	.	H	α-helix	trans	-57.6	-45.5	175.6	-177.6	57.9	0	0	0	111.9	D480 G481 M486 M487 T488 I524 F527	D480-L484 PolarHBondContact O-N 3Å; G481-L484 PolarHBondContact O-N 2.89Å; L484-M486 PolarHBondContact O-N 3.29Å; L484-M487 PolarHBondContact O-N 2.86Å; L484-M487 VanDerWaalsContact O-N 3.16Å; L484-T488 WeakPolarHBondContact O-CB 3.5Å; L484-T488 PolarHBondContact O-N 3.02Å; L484-T488 PolarHBondContact O-OG1 3.22Å; L484-I524 HydrophobicContact CD1-CG2 3.94Å; L484-F527 HydrophobicContact CB-CD1 4.12Å; L484-F527 HydrophobicContact CB-CE1 3.79Å; L484-F527 HydrophobicContact CD1-CD1 4.24Å
485	Q	81.7	Confident	80.8	Confident	50 Å²	50	46.6 Å²	46.6	23%	0.234	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-45.8	177.9	-165	-173.2	43.3	0	0	111.7	G481 K482 Q483 M487 T488 I489 T622	G481-Q485 VanDerWaalsContact O-CB 3.29Å; G481-Q485 WeakPolarHBondContact O-CB 3.33Å; G481-Q485 PolarHBondContact O-N 2.93Å; K482-Q485 PolarHBondContact O-N 3.29Å; Q483-Q485 VanDerWaalsContact C-N 3.34Å; Q483-Q485 PolarHBondContact O-N 3.08Å; Q485-M487 VanDerWaalsContact C-N 3.32Å; Q485-M487 PolarHBondContact O-N 2.73Å; Q485-T488 PolarHBondContact O-N 3.03Å; Q485-I489 HydrophobicContact CG-CD1 4.2Å; Q485-I489 VanDerWaalsContact O-CB 3.24Å; Q485-I489 WeakPolarHBondContact O-CB 3.48Å; Q485-I489 WeakPolarHBondContact O-CG1 3.48Å; Q485-I489 PolarHBondContact O-N 3.28Å; Q485-T622 PolarHBondContact OE1-OG1 2.67Å
486	M	82.2	Confident	82	Confident	35 Å²	35	47.8 Å²	47.8	17%	0.172	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-37.6	176.1	-178.9	62.4	62.8	0	0	112.4	K482 Q483 L484 R490 L538 I813	K482-M486 WeakPolarHBondContact O-CB 3.44Å; K482-M486 PolarHBondContact O-N 3.43Å; Q483-M486 PolarHBondContact O-N 3.18Å; L484-M486 PolarHBondContact O-N 3.29Å; M486-R490 WeakPolarHBondContact O-CB 3.2Å; M486-R490 PolarHBondContact O-N 3.32Å; M486-L538 HydrophobicContact CG-CD1 4.45Å; M486-I813 HydrophobicContact CE-CG2 4.2Å
487	M	86.8	Confident	82.6	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-72	-43.1	179.7	-64.7	162.3	76.5	0	0	111.6	Q483 L484 Q485 R490 L491 I520 L523 I524 F527 V533 L535 L538	Q483-M487 WeakPolarHBondContact O-CG 3.33Å; Q483-M487 PolarHBondContact O-N 3.11Å; Q483-M487 VanDerWaalsContact O-SD 3.4Å; L484-M487 PolarHBondContact O-N 2.86Å; L484-M487 VanDerWaalsContact O-N 3.16Å; Q485-M487 VanDerWaalsContact C-N 3.32Å; Q485-M487 PolarHBondContact O-N 2.73Å; M487-R490 PolarHBondContact O-N 3Å; M487-L491 WeakPolarHBondContact O-CB 3.44Å; M487-L491 PolarHBondContact O-N 2.88Å; M487-I520 WeakPolarHBondContact O-CG2 3.33Å; M487-L523 HydrophobicContact CE-CB 3.55Å; M487-L523 WeakPolarHBondContact CE-O 3.33Å; M487-I524 HydrophobicContact CB-CD1 4.2Å; M487-I524 HydrophobicContact CB-CG1 3.71Å; M487-I524 HydrophobicContact CE-CG1 4.04Å; M487-F527 HydrophobicContact CE-CB 4.04Å; M487-F527 HydrophobicContact SD-CB 4.41Å; M487-F527 HydrophobicContact SD-CD2 4.41Å; M487-F527 HydrophobicContact SD-CG 4.35Å; M487-V533 HydrophobicContact CE-CG1 4.03Å; M487-L535 HydrophobicContact SD-CD2 4.46Å; M487-L538 HydrophobicContact CB-CD2 4.48Å; M487-L538 HydrophobicContact CG-CD1 3.84Å; M487-L538 HydrophobicContact CG-CD2 4.03Å; M487-L538 HydrophobicContact CG-CG 4.39Å
488	T	87	Confident	83.3	Confident	72 Å²	72	40 Å²	40	44%	0.442	20%	0.202	S	C	.	.	H	α-helix	trans	-66.2	-40.8	174.4	-61	0	0	0	0	111.8	L484 Q485 R490 L491 D492	L484-T488 WeakPolarHBondContact O-CB 3.5Å; L484-T488 PolarHBondContact O-N 3.02Å; L484-T488 PolarHBondContact O-OG1 3.22Å; Q485-T488 PolarHBondContact O-N 3.03Å; T488-R490 VanDerWaalsContact C-N 3.33Å; T488-R490 PolarHBondContact O-N 3.48Å; T488-L491 WeakPolarHBondContact O-CB 3.44Å; T488-L491 PolarHBondContact O-N 3.05Å; T488-D492 PolarHBondContact O-N 3.23Å
489	I	82.7	Confident	84.3	Confident	36 Å²	36	40.6 Å²	40.6	19%	0.185	21%	0.21	C	C	.	.	H	α-helix	trans	-54.1	-49	169.1	-87.6	168.5	0	0	0	111	Q485 L491 D492 Q493 Y548	Q485-I489 HydrophobicContact CG-CD1 4.2Å; Q485-I489 VanDerWaalsContact O-CB 3.24Å; Q485-I489 WeakPolarHBondContact O-CB 3.48Å; Q485-I489 WeakPolarHBondContact O-CG1 3.48Å; Q485-I489 PolarHBondContact O-N 3.28Å; I489-L491 VanDerWaalsContact C-N 3.34Å; I489-D492 PolarHBondContact O-N 2.87Å; I489-Q493 VanDerWaalsContact O-CG 3.28Å; I489-Q493 WeakPolarHBondContact O-CG 3Å; I489-Q493 PolarHBondContact O-N 3.36Å; I489-Q493 VanDerWaalsContact O-N 3.15Å; I489-Y548 WeakPolarHBondContact CG2-OH 3.49Å
490	R	86.7	Confident	84.9	Confident	11 Å²	11	39.2 Å²	39.2	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-69.7	-34	-178.6	-166.5	52.7	54.2	78.9	-1.6	111.4	M486 M487 T488 Y494 I520 L538 P539 E646	M486-R490 WeakPolarHBondContact O-CB 3.2Å; M486-R490 PolarHBondContact O-N 3.32Å; M487-R490 PolarHBondContact O-N 3Å; T488-R490 VanDerWaalsContact C-N 3.33Å; T488-R490 PolarHBondContact O-N 3.48Å; R490-Y494 HydrophobicContact CG-CD2 4.21Å; R490-Y494 HydrophobicContact CG-CE2 4.26Å; R490-Y494 WeakPolarHBondContact O-CD2 2.95Å; R490-Y494 PolarHBondContact O-N 2.92Å; R490-I520 HydrophobicContact CB-CD1 4.48Å; R490-I520 HydrophobicContact CG-CD1 3.92Å; R490-L538 HydrophobicContact CB-CD2 4.37Å; R490-L538 HydrophobicContact CG-CD2 4.36Å; R490-P539 VanDerWaalsContact CD-O 3.3Å; R490-P539 WeakPolarHBondContact CD-O 3.14Å; R490-P539 WeakPolarHBondContact CG-O 3.23Å; R490-P539 PolarHBondContact NH1-O 3.38Å; R490-E646 IonicContact NH2-OE1 2.63Å; R490-E646 PolarHBondContact NH2-OE1 3.02Å
491	L	89.8	Confident	85.3	Confident	22 Å²	22	37.5 Å²	37.5	12%	0.115	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-49.3	173.8	-179.6	62.4	0	0	0	111.6	M487 T488 I489 Y494 K495 I517 I520 K521 I524	M487-L491 WeakPolarHBondContact O-CB 3.44Å; M487-L491 PolarHBondContact O-N 2.88Å; T488-L491 WeakPolarHBondContact O-CB 3.44Å; T488-L491 PolarHBondContact O-N 3.05Å; I489-L491 VanDerWaalsContact C-N 3.34Å; L491-Y494 PolarHBondContact O-N 3.19Å; L491-K495 PolarHBondContact O-N 3.4Å; L491-I517 HydrophobicContact CD1-CB 4.47Å; L491-I517 HydrophobicContact CD1-CG2 3.85Å; L491-I520 HydrophobicContact CB-CG2 3.76Å; L491-I520 HydrophobicContact CD1-CB 4.37Å; L491-I520 HydrophobicContact CD1-CG2 4.23Å; L491-K521 HydrophobicContact CD1-CG 3.87Å; L491-K521 HydrophobicContact CD2-CG 4.27Å; L491-I524 HydrophobicContact CB-CD1 4.33Å; L491-I524 HydrophobicContact CD2-CD1 3.96Å
492	D	86.2	Confident	85.7	Confident	74 Å²	74	41.9 Å²	41.9	40%	0.396	20%	0.202	S	C	.	.	H	α-helix	trans	-67.3	-42.3	-178.8	-174.5	60.4	0	0	0	112.4	T488 I489 Y494 K495 Q496	T488-D492 PolarHBondContact O-N 3.23Å; I489-D492 PolarHBondContact O-N 2.87Å; D492-Y494 PolarHBondContact O-N 3.15Å; D492-Y494 VanDerWaalsContact O-N 3.15Å; D492-K495 WeakPolarHBondContact O-CA 3.45Å; D492-K495 WeakPolarHBondContact O-CB 3.42Å; D492-K495 PolarHBondContact O-N 2.96Å; D492-Q496 WeakPolarHBondContact O-CG 3.44Å; D492-Q496 PolarHBondContact O-N 3.34Å; D492-Q496 PolarHBondContact OD2-NE2 3.33Å
493	Q	83.6	Confident	86.2	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-53.5	-37.9	172.6	-69.9	170	2.9	0	0	112.2	I489 A497 P542 Y548	I489-Q493 VanDerWaalsContact O-CG 3.28Å; I489-Q493 WeakPolarHBondContact O-CG 3Å; I489-Q493 PolarHBondContact O-N 3.36Å; I489-Q493 VanDerWaalsContact O-N 3.15Å; Q493-A497 WeakPolarHBondContact O-CB 3.41Å; Q493-A497 PolarHBondContact O-N 3.4Å; Q493-P542 HydrophobicContact CB-CG 4.32Å; Q493-P542 WeakPolarHBondContact O-CG 3.46Å; Q493-Y548 VanDerWaalsContact NE2-CE2 3.31Å; Q493-Y548 PolarHBondContact NE2-OH 3.48Å; Q493-Y548 VanDerWaalsContact NE2-OH 3.08Å
494	Y	90.6	Very high	86.5	Confident	16 Å²	16	49.5 Å²	49.5	6%	0.063	24%	0.241	C	C	.	.	H	α-helix	trans	-76.4	-35.6	174.5	-89.5	-85.9	0	0	0	113.3	R490 L491 D492 A497 V498 L513 S516 I520 P539 K540 P542	R490-Y494 HydrophobicContact CG-CD2 4.21Å; R490-Y494 HydrophobicContact CG-CE2 4.26Å; R490-Y494 WeakPolarHBondContact O-CD2 2.95Å; R490-Y494 PolarHBondContact O-N 2.92Å; L491-Y494 PolarHBondContact O-N 3.19Å; D492-Y494 PolarHBondContact O-N 3.15Å; D492-Y494 VanDerWaalsContact O-N 3.15Å; Y494-A497 PolarHBondContact O-N 3.32Å; Y494-V498 WeakPolarHBondContact O-CG2 3.46Å; Y494-V498 PolarHBondContact O-N 2.69Å; Y494-L513 HydrophobicContact CD1-CB 4.19Å; Y494-L513 HydrophobicContact CD1-CD2 3.68Å; Y494-L513 HydrophobicContact CE1-CD2 3.55Å; Y494-S516 VanDerWaalsContact CD1-CB 3.43Å; Y494-S516 WeakPolarHBondContact CE1-OG 3.36Å; Y494-I520 HydrophobicContact CD2-CD1 3.5Å; Y494-I520 VanDerWaalsContact CD2-CD1 3.5Å; Y494-I520 HydrophobicContact CE2-CD1 4Å; Y494-I520 HydrophobicContact CG-CD1 4.03Å; Y494-P539 HydrophobicContact CE2-CB 3.76Å; Y494-P539 WeakPolarHBondContact OH-CB 3.45Å; Y494-K540 PolarHBondContact OH-O 3.02Å; Y494-P542 HydrophobicContact CD1-CB 4.29Å; Y494-P542 HydrophobicContact CD1-CG 4.33Å; Y494-P542 HydrophobicContact CD2-CG 4.15Å; Y494-P542 HydrophobicContact CE1-CB 4.06Å; Y494-P542 HydrophobicContact CE1-CG 4.45Å; Y494-P542 HydrophobicContact CE2-CG 4.27Å; Y494-P542 HydrophobicContact CG-CG 4.2Å
495	K	89.3	Confident	86.5	Confident	63 Å²	63	49.5 Å²	49.5	27%	0.274	25%	0.254	S	S	.	.	H	α-helix	trans	-55.8	-52.1	169	-73.5	-163.4	-177.9	-165.1	0	110.5	D86 L491 D492 A497 V498 L499 I517	D86-K495 IonicContact OD2-NZ 3.32Å; D86-K495 PolarHBondContact OD2-NZ 3.08Å; L491-K495 PolarHBondContact O-N 3.4Å; D492-K495 WeakPolarHBondContact O-CA 3.45Å; D492-K495 WeakPolarHBondContact O-CB 3.42Å; D492-K495 PolarHBondContact O-N 2.96Å; K495-A497 VanDerWaalsContact C-N 3.31Å; K495-A497 PolarHBondContact O-N 3.44Å; K495-V498 PolarHBondContact O-N 3.37Å; K495-L499 PolarHBondContact O-N 2.95Å; K495-L499 VanDerWaalsContact O-N 3.15Å; K495-I517 HydrophobicContact CG-CD1 4.3Å
496	Q	84.5	Confident	86.9	Confident	79 Å²	79	51.5 Å²	51.5	37%	0.369	26%	0.262	S	S	.	.	H	α-helix	trans	-59.2	-40.5	177.6	-64.3	-174.9	26.2	0	0	112.1	D492 L499 K500	D492-Q496 WeakPolarHBondContact O-CG 3.44Å; D492-Q496 PolarHBondContact O-N 3.34Å; D492-Q496 PolarHBondContact OD2-NE2 3.33Å; Q496-L499 PolarHBondContact O-N 3.25Å; Q496-K500 PolarHBondContact O-N 3.44Å
497	A	83.5	Confident	87.2	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-42.7	176.7	0	0	0	0	0	112.9	Q493 Y494 K495 K500 A501 L513 P542 T544	Q493-A497 WeakPolarHBondContact O-CB 3.41Å; Q493-A497 PolarHBondContact O-N 3.4Å; Y494-A497 PolarHBondContact O-N 3.32Å; K495-A497 VanDerWaalsContact C-N 3.31Å; K495-A497 PolarHBondContact O-N 3.44Å; A497-K500 PolarHBondContact O-N 3.16Å; A497-A501 WeakPolarHBondContact O-CB 3.44Å; A497-A501 PolarHBondContact O-N 2.91Å; A497-L513 HydrophobicContact CB-CD1 3.75Å; A497-L513 HydrophobicContact CB-CD2 3.88Å; A497-L513 HydrophobicContact CB-CG 4.33Å; A497-L513 WeakPolarHBondContact O-CD1 3.34Å; A497-P542 HydrophobicContact CB-CB 3.76Å; A497-P542 HydrophobicContact CB-CG 3.68Å; A497-T544 HydrophobicContact CB-CG2 3.5Å; A497-T544 VanDerWaalsContact CB-CG2 3.5Å
498	V	87.4	Confident	87.3	Confident	21 Å²	21	59.5 Å²	59.5	13%	0.127	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-45.1	176.5	170	0	0	0	0	110.9	Y494 K495 A501 R502 L513 L514 I517	Y494-V498 WeakPolarHBondContact O-CG2 3.46Å; Y494-V498 PolarHBondContact O-N 2.69Å; K495-V498 PolarHBondContact O-N 3.37Å; V498-A501 PolarHBondContact O-N 3.18Å; V498-R502 WeakPolarHBondContact O-CB 3.35Å; V498-R502 PolarHBondContact O-N 3.04Å; V498-L513 HydrophobicContact CG2-CB 3.51Å; V498-L514 HydrophobicContact CG1-CD1 4.37Å; V498-L514 HydrophobicContact CG1-CD2 4.12Å; V498-L514 HydrophobicContact CG1-CG 4Å; V498-L514 HydrophobicContact CG2-CD2 4.18Å; V498-L514 HydrophobicContact CG2-CG 3.86Å; V498-I517 HydrophobicContact CB-CD1 4.46Å; V498-I517 HydrophobicContact CG2-CD1 3.69Å
499	L	88.4	Confident	87.3	Confident	87 Å²	87	59.4 Å²	59.4	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-48.3	177	-66.6	173.4	0	0	0	111.1	K495 Q496 R502 D503	K495-L499 PolarHBondContact O-N 2.95Å; K495-L499 VanDerWaalsContact O-N 3.15Å; Q496-L499 PolarHBondContact O-N 3.25Å; L499-R502 WeakPolarHBondContact O-CB 3.37Å; L499-R502 PolarHBondContact O-N 3.34Å; L499-D503 WeakPolarHBondContact O-CB 3.46Å; L499-D503 PolarHBondContact O-N 3.25Å
500	K	85.7	Confident	87.5	Confident	73 Å²	73	58 Å²	58	32%	0.317	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-44.7	177.6	-178.8	166.1	-179.5	163.2	0	112.9	Q496 A497 R502 D503 E504 N545	Q496-K500 PolarHBondContact O-N 3.44Å; A497-K500 PolarHBondContact O-N 3.16Å; K500-R502 VanDerWaalsContact C-N 3.33Å; K500-R502 PolarHBondContact O-N 3.18Å; K500-D503 PolarHBondContact O-N 3.28Å; K500-E504 WeakPolarHBondContact CE-OE1 3.29Å; K500-E504 HydrophobicContact CG-CG 4.43Å; K500-E504 IonicContact NZ-OE1 3.15Å; K500-E504 WeakPolarHBondContact O-CB 3.39Å; K500-E504 WeakPolarHBondContact O-CG 3.35Å; K500-E504 PolarHBondContact O-N 3.28Å; K500-N545 PolarHBondContact NZ-O 3.49Å
501	A	88.1	Confident	87.5	Confident	3 Å²	3	61.8 Å²	61.8	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-66.4	-34.2	178.9	0	0	0	0	0	112.5	A497 V498 G505 K506 E509 A510 L513	A497-A501 WeakPolarHBondContact O-CB 3.44Å; A497-A501 PolarHBondContact O-N 2.91Å; V498-A501 PolarHBondContact O-N 3.18Å; A501-G505 PolarHBondContact O-N 3.01Å; A501-K506 WeakPolarHBondContact O-CA 3.5Å; A501-K506 PolarHBondContact O-N 3.26Å; A501-E509 HydrophobicContact CB-CB 4.24Å; A501-E509 HydrophobicContact CB-CG 4.25Å; A501-A510 HydrophobicContact CB-CB 3.96Å; A501-L513 HydrophobicContact CB-CD1 3.78Å
502	R	88.5	Confident	87.4	Confident	132 Å²	132	65.5 Å²	65.5	50%	0.498	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-48.6	170.2	-179.5	-160.5	70.2	-168.3	-4.4	111	V498 L499 K500 E504 G505	V498-R502 WeakPolarHBondContact O-CB 3.35Å; V498-R502 PolarHBondContact O-N 3.04Å; L499-R502 WeakPolarHBondContact O-CB 3.37Å; L499-R502 PolarHBondContact O-N 3.34Å; K500-R502 VanDerWaalsContact C-N 3.33Å; K500-R502 PolarHBondContact O-N 3.18Å; R502-E504 VanDerWaalsContact C-N 3.34Å; R502-E504 PolarHBondContact O-N 3.04Å; R502-G505 WeakPolarHBondContact O-CA 3.3Å; R502-G505 PolarHBondContact O-N 3.47Å
503	D	86.5	Confident	87.7	Confident	111 Å²	111	62.6 Å²	62.6	59%	0.594	32%	0.323	S	S	*	.	H	α-helix	trans	-73	-27.1	-174.7	-64.3	-10.8	0	0	0	112.5	L499 K500 G505	L499-D503 WeakPolarHBondContact O-CB 3.46Å; L499-D503 PolarHBondContact O-N 3.25Å; K500-D503 PolarHBondContact O-N 3.28Å; D503-G505 PolarHBondContact O-N 3.1Å
504	E	89.8	Confident	88	Confident	98 Å²	98	64.5 Å²	64.5	46%	0.458	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.4	166.7	-69.5	-179.6	-174.9	0	0	113.5	K500 R502 K506	K500-E504 WeakPolarHBondContact CE-OE1 3.29Å; K500-E504 HydrophobicContact CG-CG 4.43Å; K500-E504 IonicContact NZ-OE1 3.15Å; K500-E504 WeakPolarHBondContact O-CB 3.39Å; K500-E504 WeakPolarHBondContact O-CG 3.35Å; K500-E504 PolarHBondContact O-N 3.28Å; R502-E504 VanDerWaalsContact C-N 3.34Å; R502-E504 PolarHBondContact O-N 3.04Å; E504-K506 VanDerWaalsContact C-N 3.26Å; E504-K506 HydrophobicContact CB-CD 4.38Å; E504-K506 HydrophobicContact CB-CG 4.17Å; E504-K506 PolarHBondContact O-N 2.96Å; E504-K506 WeakPolarHBondContact OE2-CE 3.32Å; E504-K506 IonicContact OE2-NZ 2.74Å; E504-K506 PolarHBondContact OE2-NZ 3.17Å
505	G	87.9	Confident	87.9	Confident	54 Å²	54	70.5 Å²	70.5	56%	0.557	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	6.2	179.4	0	0	0	0	0	115.5	A501 R502 D503 L507	A501-G505 PolarHBondContact O-N 3.01Å; R502-G505 WeakPolarHBondContact O-CA 3.3Å; R502-G505 PolarHBondContact O-N 3.47Å; D503-G505 PolarHBondContact O-N 3.1Å; G505-L507 VanDerWaalsContact C-N 3.31Å; G505-L507 PolarHBondContact O-N 3.44Å
506	K	89.8	Confident	88	Confident	92 Å²	92	68.2 Å²	68.2	40%	0.4	35%	0.348	S	S	.	.			trans	-85.5	64.6	-175.2	-57.9	-179.3	-172.1	158.6	0	112.1	A501 E504 A508 E509 A510	A501-K506 WeakPolarHBondContact O-CA 3.5Å; A501-K506 PolarHBondContact O-N 3.26Å; E504-K506 VanDerWaalsContact C-N 3.26Å; E504-K506 HydrophobicContact CB-CD 4.38Å; E504-K506 HydrophobicContact CB-CG 4.17Å; E504-K506 PolarHBondContact O-N 2.96Å; E504-K506 WeakPolarHBondContact OE2-CE 3.32Å; E504-K506 IonicContact OE2-NZ 2.74Å; E504-K506 PolarHBondContact OE2-NZ 3.17Å; K506-A508 PolarHBondContact O-N 3.46Å; K506-A508 VanDerWaalsContact O-N 3.08Å; K506-E509 HydrophobicContact CB-CB 3.98Å; K506-E509 WeakPolarHBondContact CD-OE2 3.29Å; K506-E509 IonicContact NZ-OE2 2.71Å; K506-E509 PolarHBondContact NZ-OE2 3.23Å; K506-E509 WeakPolarHBondContact O-CB 3.45Å; K506-E509 PolarHBondContact O-N 3.23Å; K506-A510 PolarHBondContact O-N 2.95Å
507	L	87.7	Confident	88.3	Confident	120 Å²	120	65 Å²	65	63%	0.628	33%	0.333	S	S	*	.	H	α-helix	trans	-54.9	-32.3	-175	-58.3	-179.3	0	0	0	114.1	G505 K511	G505-L507 VanDerWaalsContact C-N 3.31Å; G505-L507 PolarHBondContact O-N 3.44Å; L507-K511 PolarHBondContact O-N 3.41Å
508	A	88.8	Confident	88.7	Confident	84 Å²	84	69 Å²	69	69%	0.694	36%	0.357	S	S	*	.	H	α-helix	trans	-68.7	-38.5	175.7	0	0	0	0	0	113.1	K506 E512	K506-A508 PolarHBondContact O-N 3.46Å; K506-A508 VanDerWaalsContact O-N 3.08Å; A508-E512 PolarHBondContact O-N 2.78Å
509	E	87.5	Confident	88.8	Confident	69 Å²	69	71.4 Å²	71.4	32%	0.322	37%	0.369	S	S	.	.	H	α-helix	trans	-68.1	-43.8	174.2	-171.2	175.4	176.8	0	0	109.7	A501 K506 K511 E512 L513	A501-E509 HydrophobicContact CB-CB 4.24Å; A501-E509 HydrophobicContact CB-CG 4.25Å; K506-E509 HydrophobicContact CB-CB 3.98Å; K506-E509 WeakPolarHBondContact CD-OE2 3.29Å; K506-E509 IonicContact NZ-OE2 2.71Å; K506-E509 PolarHBondContact NZ-OE2 3.23Å; K506-E509 WeakPolarHBondContact O-CB 3.45Å; K506-E509 PolarHBondContact O-N 3.23Å; E509-K511 PolarHBondContact O-N 3.05Å; E509-E512 PolarHBondContact O-N 3.04Å; E509-E512 VanDerWaalsContact O-N 3.14Å; E509-L513 HydrophobicContact CG-CD1 3.98Å; E509-L513 HydrophobicContact CG-CG 4.45Å; E509-L513 VanDerWaalsContact O-CG 3.26Å; E509-L513 WeakPolarHBondContact O-CG 3.38Å; E509-L513 PolarHBondContact O-N 3.4Å
510	A	87.3	Confident	88.9	Confident	8 Å²	8	67.3 Å²	67.3	7%	0.066	35%	0.347	C	S	.	.	H	α-helix	trans	-58.7	-42.8	175.2	0	0	0	0	0	113	A501 K506 E512 L513 L514	A501-A510 HydrophobicContact CB-CB 3.96Å; K506-A510 PolarHBondContact O-N 2.95Å; A510-E512 VanDerWaalsContact C-N 3.31Å; A510-E512 PolarHBondContact O-N 3.2Å; A510-L513 PolarHBondContact O-N 3.16Å; A510-L514 WeakPolarHBondContact O-CB 3.29Å; A510-L514 WeakPolarHBondContact O-CG 3.18Å; A510-L514 PolarHBondContact O-N 2.94Å
511	K	86.1	Confident	89.2	Confident	90 Å²	90	66.5 Å²	66.5	39%	0.391	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-33.9	175.4	-78.5	-165.2	174.7	-163.6	0	112.6	D99 L507 E509 R515	D99-K511 IonicContact OD2-NZ 2.72Å; L507-K511 PolarHBondContact O-N 3.41Å; E509-K511 PolarHBondContact O-N 3.05Å; K511-R515 PolarHBondContact O-N 3.49Å
512	E	88.9	Confident	89.4	Confident	100 Å²	100	75.7 Å²	75.7	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-77.3	-38.6	177.2	-170.2	57.4	-151.7	0	0	112.9	A508 E509 A510 L514 R515 S516	A508-E512 PolarHBondContact O-N 2.78Å; E509-E512 PolarHBondContact O-N 3.04Å; E509-E512 VanDerWaalsContact O-N 3.14Å; A510-E512 VanDerWaalsContact C-N 3.31Å; A510-E512 PolarHBondContact O-N 3.2Å; E512-L514 VanDerWaalsContact C-N 3.29Å; E512-L514 PolarHBondContact O-N 3.02Å; E512-R515 WeakPolarHBondContact O-CB 3.39Å; E512-R515 PolarHBondContact O-N 3.27Å; E512-R515 WeakPolarHBondContact OE2-CD 3.44Å; E512-R515 IonicContact OE2-CZ 2.63Å; E512-R515 IonicContact OE2-NE 2.87Å; E512-R515 IonicContact OE2-NH1 3.46Å; E512-R515 PolarHBondContact OE2-NH1 3.24Å; E512-S516 PolarHBondContact O-N 3.3Å; E512-S516 PolarHBondContact O-OG 3.17Å
513	L	91.1	Very high	89.4	Confident	13 Å²	13	70.2 Å²	70.2	7%	0.068	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-37.1	172.4	-65	166.6	0	0	0	111.1	Y494 A497 V498 A501 E509 A510 S516 I517 P542	Y494-L513 HydrophobicContact CD1-CB 4.19Å; Y494-L513 HydrophobicContact CD1-CD2 3.68Å; Y494-L513 HydrophobicContact CE1-CD2 3.55Å; A497-L513 HydrophobicContact CB-CD1 3.75Å; A497-L513 HydrophobicContact CB-CD2 3.88Å; A497-L513 HydrophobicContact CB-CG 4.33Å; A497-L513 WeakPolarHBondContact O-CD1 3.34Å; V498-L513 HydrophobicContact CG2-CB 3.51Å; A501-L513 HydrophobicContact CB-CD1 3.78Å; E509-L513 HydrophobicContact CG-CD1 3.98Å; E509-L513 HydrophobicContact CG-CG 4.45Å; E509-L513 VanDerWaalsContact O-CG 3.26Å; E509-L513 WeakPolarHBondContact O-CG 3.38Å; E509-L513 PolarHBondContact O-N 3.4Å; A510-L513 PolarHBondContact O-N 3.16Å; L513-S516 WeakPolarHBondContact O-CB 3.33Å; L513-S516 PolarHBondContact O-N 2.94Å; L513-I517 PolarHBondContact O-N 3.39Å; L513-P542 HydrophobicContact CD2-CB 3.68Å
514	L	90.5	Very high	89.7	Confident	40 Å²	40	66 Å²	66	21%	0.209	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-40.9	172.5	-79.4	163.5	0	0	0	113.1	L93 V498 A510 E512 S516 I517 V518	L93-L514 HydrophobicContact CD2-CD1 3.93Å; L93-L514 HydrophobicContact CD2-CD2 3.93Å; V498-L514 HydrophobicContact CG1-CD1 4.37Å; V498-L514 HydrophobicContact CG1-CD2 4.12Å; V498-L514 HydrophobicContact CG1-CG 4Å; V498-L514 HydrophobicContact CG2-CD2 4.18Å; V498-L514 HydrophobicContact CG2-CG 3.86Å; A510-L514 WeakPolarHBondContact O-CB 3.29Å; A510-L514 WeakPolarHBondContact O-CG 3.18Å; A510-L514 PolarHBondContact O-N 2.94Å; E512-L514 VanDerWaalsContact C-N 3.29Å; E512-L514 PolarHBondContact O-N 3.02Å; L514-S516 PolarHBondContact O-N 3.37Å; L514-I517 HydrophobicContact CD2-CD1 4.38Å; L514-I517 WeakPolarHBondContact O-CB 3.35Å; L514-I517 PolarHBondContact O-N 3.06Å; L514-I517 VanDerWaalsContact O-N 3.14Å; L514-V518 PolarHBondContact O-N 3.33Å
515	R	89.6	Confident	89.7	Confident	142 Å²	142	69.2 Å²	69.2	54%	0.536	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-38.8	173.1	-69.9	177	-175.3	119.2	5	111.7	K511 E512 V518 L519	K511-R515 PolarHBondContact O-N 3.49Å; E512-R515 WeakPolarHBondContact O-CB 3.39Å; E512-R515 PolarHBondContact O-N 3.27Å; E512-R515 WeakPolarHBondContact OE2-CD 3.44Å; E512-R515 IonicContact OE2-CZ 2.63Å; E512-R515 IonicContact OE2-NE 2.87Å; E512-R515 IonicContact OE2-NH1 3.46Å; E512-R515 PolarHBondContact OE2-NH1 3.24Å; R515-V518 PolarHBondContact O-N 2.9Å; R515-L519 PolarHBondContact O-N 3.49Å
516	S	90	Very high	89.7	Confident	16 Å²	16	68.3 Å²	68.3	11%	0.112	33%	0.331	C	S	.	.	H	α-helix	trans	-66.8	-39	175.6	-58.2	0	0	0	0	112.2	Y494 E512 L513 L514 V518 L519 I520	Y494-S516 VanDerWaalsContact CD1-CB 3.43Å; Y494-S516 WeakPolarHBondContact CE1-OG 3.36Å; E512-S516 PolarHBondContact O-N 3.3Å; E512-S516 PolarHBondContact O-OG 3.17Å; L513-S516 WeakPolarHBondContact O-CB 3.33Å; L513-S516 PolarHBondContact O-N 2.94Å; L514-S516 PolarHBondContact O-N 3.37Å; S516-V518 PolarHBondContact O-N 2.96Å; S516-L519 PolarHBondContact O-N 2.94Å; S516-I520 WeakPolarHBondContact O-CD1 3.49Å; S516-I520 WeakPolarHBondContact O-CG1 3.45Å; S516-I520 PolarHBondContact O-N 2.7Å
517	I	91.7	Very high	89.7	Confident	11 Å²	11	65.2 Å²	65.2	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-57.7	-47	171.5	-69.9	-179.9	0	0	0	111.1	L491 K495 V498 L513 L514 L519 I520 K521	L491-I517 HydrophobicContact CD1-CB 4.47Å; L491-I517 HydrophobicContact CD1-CG2 3.85Å; K495-I517 HydrophobicContact CG-CD1 4.3Å; V498-I517 HydrophobicContact CB-CD1 4.46Å; V498-I517 HydrophobicContact CG2-CD1 3.69Å; L513-I517 PolarHBondContact O-N 3.39Å; L514-I517 HydrophobicContact CD2-CD1 4.38Å; L514-I517 WeakPolarHBondContact O-CB 3.35Å; L514-I517 PolarHBondContact O-N 3.06Å; L514-I517 VanDerWaalsContact O-N 3.14Å; I517-L519 VanDerWaalsContact C-N 3.34Å; I517-L519 PolarHBondContact O-N 3.12Å; I517-I520 PolarHBondContact O-N 2.72Å; I517-K521 PolarHBondContact O-N 3.47Å
518	V	90.8	Very high	89.7	Confident	84 Å²	84	64.7 Å²	64.7	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-41.1	179.3	174.8	0	0	0	0	111.2	L514 R515 S516 R522	L514-V518 PolarHBondContact O-N 3.33Å; R515-V518 PolarHBondContact O-N 2.9Å; S516-V518 PolarHBondContact O-N 2.96Å; V518-R522 WeakPolarHBondContact O-CB 3.46Å; V518-R522 PolarHBondContact O-N 3.4Å
519	L	90.3	Very high	89.6	Confident	73 Å²	73	65 Å²	65	38%	0.382	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-47.8	173.5	176.9	56.2	0	0	0	111.6	R515 S516 I517 R522 L523 P539	R515-L519 PolarHBondContact O-N 3.49Å; S516-L519 PolarHBondContact O-N 2.94Å; I517-L519 VanDerWaalsContact C-N 3.34Å; I517-L519 PolarHBondContact O-N 3.12Å; L519-R522 WeakPolarHBondContact O-CB 3.26Å; L519-R522 PolarHBondContact O-N 2.86Å; L519-L523 HydrophobicContact CD1-CD1 4.2Å; L519-L523 HydrophobicContact CD1-CG 4.18Å; L519-L523 HydrophobicContact CG-CD1 4.18Å; L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.49Å; L519-L523 PolarHBondContact O-N 3.07Å; L519-P539 HydrophobicContact CD2-CG 3.83Å; L519-P539 HydrophobicContact CG-CG 4.41Å
520	I	91	Very high	89.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-45.2	179.9	-62.5	156.9	0	0	0	111.1	M487 R490 L491 Y494 S516 I517 R522 L523 I524 L538 P539	M487-I520 WeakPolarHBondContact O-CG2 3.33Å; R490-I520 HydrophobicContact CB-CD1 4.48Å; R490-I520 HydrophobicContact CG-CD1 3.92Å; L491-I520 HydrophobicContact CB-CG2 3.76Å; L491-I520 HydrophobicContact CD1-CB 4.37Å; L491-I520 HydrophobicContact CD1-CG2 4.23Å; Y494-I520 HydrophobicContact CD2-CD1 3.5Å; Y494-I520 VanDerWaalsContact CD2-CD1 3.5Å; Y494-I520 HydrophobicContact CE2-CD1 4Å; Y494-I520 HydrophobicContact CG-CD1 4.03Å; S516-I520 WeakPolarHBondContact O-CD1 3.49Å; S516-I520 WeakPolarHBondContact O-CG1 3.45Å; S516-I520 PolarHBondContact O-N 2.7Å; I517-I520 PolarHBondContact O-N 2.72Å; I520-R522 VanDerWaalsContact C-N 3.29Å; I520-R522 PolarHBondContact O-N 2.66Å; I520-L523 PolarHBondContact O-N 2.98Å; I520-L523 VanDerWaalsContact O-N 3.16Å; I520-I524 HydrophobicContact CG2-CD1 3.96Å; I520-I524 WeakPolarHBondContact O-CG1 3.36Å; I520-I524 PolarHBondContact O-N 2.99Å; I520-L538 HydrophobicContact CG1-CD2 4.33Å; I520-L538 HydrophobicContact CG2-CD2 4.47Å; I520-P539 HydrophobicContact CD1-CG 4.41Å; I520-P539 HydrophobicContact CG1-CG 4.21Å
521	K	92.2	Very high	88.9	Confident	56 Å²	56	67 Å²	67	24%	0.243	35%	0.347	C	S	.	.	H	α-helix	trans	-58.1	-39.4	172.9	-80.1	-161.5	171.5	-164.8	0	112.1	L491 I517 I524 R525	L491-K521 HydrophobicContact CD1-CG 3.87Å; L491-K521 HydrophobicContact CD2-CG 4.27Å; I517-K521 PolarHBondContact O-N 3.47Å; K521-I524 PolarHBondContact O-N 3.45Å; K521-R525 WeakPolarHBondContact O-CB 3.39Å; K521-R525 PolarHBondContact O-N 3.34Å
522	R	90.8	Very high	88.5	Confident	196 Å²	196	67.9 Å²	67.9	74%	0.74	37%	0.371	S	S	*	.	H	α-helix	trans	-65.4	-40.4	175.9	-175.8	178.6	-176.8	167	3.2	112.2	V518 L519 I520 R525 A526	V518-R522 WeakPolarHBondContact O-CB 3.46Å; V518-R522 PolarHBondContact O-N 3.4Å; L519-R522 WeakPolarHBondContact O-CB 3.26Å; L519-R522 PolarHBondContact O-N 2.86Å; I520-R522 VanDerWaalsContact C-N 3.29Å; I520-R522 PolarHBondContact O-N 2.66Å; R522-R525 PolarHBondContact O-N 3.04Å; R522-A526 WeakPolarHBondContact O-CB 3.29Å; R522-A526 PolarHBondContact O-N 3.37Å
523	L	89.8	Confident	88.1	Confident	17 Å²	17	64 Å²	64	9%	0.089	35%	0.354	C	S	.	.	H	α-helix	trans	-65.7	-43.5	175.6	-63.9	167.8	0	0	0	110.5	M487 L519 I520 R525 A526 F527 V533 L537 L538	M487-L523 HydrophobicContact CE-CB 3.55Å; M487-L523 WeakPolarHBondContact CE-O 3.33Å; L519-L523 HydrophobicContact CD1-CD1 4.2Å; L519-L523 HydrophobicContact CD1-CG 4.18Å; L519-L523 HydrophobicContact CG-CD1 4.18Å; L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.49Å; L519-L523 PolarHBondContact O-N 3.07Å; I520-L523 PolarHBondContact O-N 2.98Å; I520-L523 VanDerWaalsContact O-N 3.16Å; L523-R525 PolarHBondContact O-N 2.89Å; L523-A526 PolarHBondContact O-N 3.36Å; L523-F527 WeakPolarHBondContact O-CB 3.38Å; L523-F527 PolarHBondContact O-N 3.01Å; L523-V533 HydrophobicContact CB-CG1 4.21Å; L523-V533 HydrophobicContact CD2-CG1 3.87Å; L523-L537 HydrophobicContact CD1-CB 4.39Å; L523-L537 HydrophobicContact CD2-CB 4.31Å; L523-L537 HydrophobicContact CD2-CD1 4.4Å; L523-L538 HydrophobicContact CD1-CD2 4.25Å; L523-L538 HydrophobicContact CD1-CG 4.34Å
524	I	91.1	Very high	87.6	Confident	24 Å²	24	67.5 Å²	67.5	12%	0.123	37%	0.373	C	S	.	.	H	α-helix	trans	-60.7	-44.7	174.9	-67.2	164.5	0	0	0	111	L484 M487 L491 I520 K521 A526 F527 N528	L484-I524 HydrophobicContact CD1-CG2 3.94Å; M487-I524 HydrophobicContact CB-CD1 4.2Å; M487-I524 HydrophobicContact CB-CG1 3.71Å; M487-I524 HydrophobicContact CE-CG1 4.04Å; L491-I524 HydrophobicContact CB-CD1 4.33Å; L491-I524 HydrophobicContact CD2-CD1 3.96Å; I520-I524 HydrophobicContact CG2-CD1 3.96Å; I520-I524 WeakPolarHBondContact O-CG1 3.36Å; I520-I524 PolarHBondContact O-N 2.99Å; K521-I524 PolarHBondContact O-N 3.45Å; I524-A526 VanDerWaalsContact C-N 3.33Å; I524-A526 PolarHBondContact O-N 3.5Å; I524-F527 WeakPolarHBondContact O-CB 3.23Å; I524-F527 PolarHBondContact O-N 3.37Å; I524-N528 PolarHBondContact O-N 2.92Å; I524-N528 PolarHBondContact O-OD1 2.72Å
525	R	90.9	Very high	87.1	Confident	165 Å²	165	68.2 Å²	68.2	62%	0.623	38%	0.377	S	S	*	.	H	α-helix	trans	-62.8	-37.7	176.8	-172.4	174.1	-70.1	179.9	-2.6	112.4	E87 K521 R522 L523 S529	E87-R525 IonicContact OE1-NH2 2.66Å; E87-R525 PolarHBondContact OE1-NH2 3.36Å; K521-R525 WeakPolarHBondContact O-CB 3.39Å; K521-R525 PolarHBondContact O-N 3.34Å; R522-R525 PolarHBondContact O-N 3.04Å; L523-R525 PolarHBondContact O-N 2.89Å; R525-S529 PolarHBondContact O-N 3.46Å; R525-S529 PolarHBondContact O-OG 3.28Å
526	A	88.4	Confident	86.6	Confident	34 Å²	34	65.9 Å²	65.9	28%	0.281	38%	0.382	S	S	.	.	H	α-helix	trans	-66.5	-44.2	173.9	0	0	0	0	0	111.6	R522 L523 I524 S529 A531 V533	R522-A526 WeakPolarHBondContact O-CB 3.29Å; R522-A526 PolarHBondContact O-N 3.37Å; L523-A526 PolarHBondContact O-N 3.36Å; I524-A526 VanDerWaalsContact C-N 3.33Å; I524-A526 PolarHBondContact O-N 3.5Å; A526-S529 PolarHBondContact O-N 3.46Å; A526-S529 VanDerWaalsContact O-N 3.15Å; A526-S529 PolarHBondContact O-OG 2.85Å; A526-A531 WeakPolarHBondContact O-CB 3.47Å; A526-A531 PolarHBondContact O-N 2.97Å; A526-V533 HydrophobicContact CB-CG2 4.1Å
527	F	88.5	Confident	86.1	Confident	27 Å²	27	69.8 Å²	69.8	12%	0.118	40%	0.402	C	S	.	.	H	α-helix	trans	-58.7	-51.6	177.1	-174.8	-92.8	0	0	0	111.9	D480 Q483 L484 M487 L523 I524 S529 G530 V533	D480-F527 HydrophobicContact CB-CZ 3.7Å; D480-F527 WeakPolarHBondContact O-CZ 3.32Å; Q483-F527 HydrophobicContact CB-CD2 4.5Å; Q483-F527 HydrophobicContact CB-CE2 3.85Å; Q483-F527 HydrophobicContact CB-CZ 4.2Å; L484-F527 HydrophobicContact CB-CD1 4.12Å; L484-F527 HydrophobicContact CB-CE1 3.79Å; L484-F527 HydrophobicContact CD1-CD1 4.24Å; M487-F527 HydrophobicContact CE-CB 4.04Å; M487-F527 HydrophobicContact SD-CB 4.41Å; M487-F527 HydrophobicContact SD-CD2 4.41Å; M487-F527 HydrophobicContact SD-CG 4.35Å; L523-F527 WeakPolarHBondContact O-CB 3.38Å; L523-F527 PolarHBondContact O-N 3.01Å; I524-F527 WeakPolarHBondContact O-CB 3.23Å; I524-F527 PolarHBondContact O-N 3.37Å; F527-S529 PolarHBondContact O-N 2.87Å; F527-S529 VanDerWaalsContact O-N 3.16Å; F527-G530 PolarHBondContact O-N 3.27Å; F527-V533 HydrophobicContact CB-CG2 3.85Å; F527-V533 HydrophobicContact CD2-CB 4.47Å; F527-V533 HydrophobicContact CD2-CG2 4.32Å
528	N	87.7	Confident	85.7	Confident	110 Å²	110	70.1 Å²	70.1	59%	0.588	40%	0.404	S	S	*	.	H	α-helix	trans	-64.2	-20.3	177.9	-67	17.4	0	0	0	112.9	I524 G530	I524-N528 PolarHBondContact O-N 2.92Å; I524-N528 PolarHBondContact O-OD1 2.72Å; N528-G530 PolarHBondContact O-N 2.61Å
529	S	86.5	Confident	85.3	Confident	90 Å²	90	67 Å²	67	63%	0.629	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	10	170.6	72.1	0	0	0	0	114.3	R525 A526 F527 A531	R525-S529 PolarHBondContact O-N 3.46Å; R525-S529 PolarHBondContact O-OG 3.28Å; A526-S529 PolarHBondContact O-N 3.46Å; A526-S529 VanDerWaalsContact O-N 3.15Å; A526-S529 PolarHBondContact O-OG 2.85Å; F527-S529 PolarHBondContact O-N 2.87Å; F527-S529 VanDerWaalsContact O-N 3.16Å; S529-A531 VanDerWaalsContact C-N 3.29Å; S529-A531 PolarHBondContact O-N 3.49Å
530	G	81.2	Confident	84.9	Confident	72 Å²	72	71.3 Å²	71.3	74%	0.742	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	8.9	179.5	0	0	0	0	0	114.8	F527 N528	F527-G530 PolarHBondContact O-N 3.27Å; N528-G530 PolarHBondContact O-N 2.61Å
531	A	79.9	Confident	84.2	Confident	47 Å²	47	71.8 Å²	71.8	39%	0.388	41%	0.405	S	S	.	.			trans	-80.8	133.7	177.4	0	0	0	0	0	110.9	A526 S529 V533	A526-A531 WeakPolarHBondContact O-CB 3.47Å; A526-A531 PolarHBondContact O-N 2.97Å; S529-A531 VanDerWaalsContact C-N 3.29Å; S529-A531 PolarHBondContact O-N 3.49Å; A531-V533 PolarHBondContact O-N 3.32Å; A531-V533 VanDerWaalsContact O-N 3.13Å
532	A	77.3	Confident	83.4	Confident	108 Å²	108	69.2 Å²	69.2	89%	0.893	39%	0.394	S	S	*	.			trans	-64.1	113.4	173.7	0	0	0	0	0	110.3
533	V	81.1	Confident	82	Confident	18 Å²	18	63.5 Å²	63.5	11%	0.109	38%	0.382	C	S	.	.			trans	-93.1	124.6	-179.2	173.5	0	0	0	0	110.5	M487 L523 A526 F527 A531 L535	M487-V533 HydrophobicContact CE-CG1 4.03Å; L523-V533 HydrophobicContact CB-CG1 4.21Å; L523-V533 HydrophobicContact CD2-CG1 3.87Å; A526-V533 HydrophobicContact CB-CG2 4.1Å; F527-V533 HydrophobicContact CB-CG2 3.85Å; F527-V533 HydrophobicContact CD2-CB 4.47Å; F527-V533 HydrophobicContact CD2-CG2 4.32Å; A531-V533 PolarHBondContact O-N 3.32Å; A531-V533 VanDerWaalsContact O-N 3.13Å; V533-L535 PolarHBondContact O-N 3.1Å
534	D	79.4	Confident	80.2	Confident	87 Å²	87	63.2 Å²	63.2	47%	0.465	38%	0.381	S	S	.	.			trans	-71.7	109.1	168.4	178.7	15.4	0	0	0	110.5	S536 L537	D534-S536 VanDerWaalsContact CG-OG 3.24Å; D534-S536 PolarHBondContact O-N 2.79Å; D534-S536 WeakPolarHBondContact OD1-CB 3.26Å; D534-S536 PolarHBondContact OD1-N 2.97Å; D534-S536 PolarHBondContact OD1-OG 3.09Å; D534-S536 WeakPolarHBondContact OD2-CB 3.3Å; D534-S536 PolarHBondContact OD2-OG 3.23Å; D534-L537 HydrophobicContact CB-CD1 4.25Å; D534-L537 HydrophobicContact CB-CG 4.27Å; D534-L537 WeakPolarHBondContact O-CB 3.37Å; D534-L537 PolarHBondContact O-N 3Å; D534-L537 VanDerWaalsContact O-N 3.14Å
535	L	80	Confident	78.1	Confident	55 Å²	55	68.4 Å²	68.4	29%	0.288	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-63	-16.5	176.9	-55.9	176.2	0	0	0	113	Q483 M487 V533 L537 L538	Q483-L535 HydrophobicContact CB-CD2 4.3Å; Q483-L535 HydrophobicContact CG-CD1 3.93Å; Q483-L535 HydrophobicContact CG-CD2 4Å; Q483-L535 HydrophobicContact CG-CG 4.43Å; M487-L535 HydrophobicContact SD-CD2 4.46Å; V533-L535 PolarHBondContact O-N 3.1Å; L535-L537 PolarHBondContact O-N 3Å; L535-L538 HydrophobicContact CB-CD1 4.35Å; L535-L538 HydrophobicContact CD2-CD1 3.87Å; L535-L538 WeakPolarHBondContact O-CB 3.35Å; L535-L538 PolarHBondContact O-N 3.35Å; L535-L538 VanDerWaalsContact O-N 3.13Å
536	S	79.2	Confident	75.8	Confident	93 Å²	93	63.4 Å²	63.4	65%	0.65	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-62.1	-24.1	173.8	94	0	0	0	0	112.5	D534 L538	D534-S536 VanDerWaalsContact CG-OG 3.24Å; D534-S536 PolarHBondContact O-N 2.79Å; D534-S536 WeakPolarHBondContact OD1-CB 3.26Å; D534-S536 PolarHBondContact OD1-N 2.97Å; D534-S536 PolarHBondContact OD1-OG 3.09Å; D534-S536 WeakPolarHBondContact OD2-CB 3.3Å; D534-S536 PolarHBondContact OD2-OG 3.23Å; S536-L538 VanDerWaalsContact C-N 3.34Å
537	L	81.3	Confident	74	Confident	98 Å²	98	61.9 Å²	61.9	51%	0.513	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-80	-9.9	178.2	-56.8	177.1	0	0	0	113.5	L523 D534 L535 P539	L523-L537 HydrophobicContact CD1-CB 4.39Å; L523-L537 HydrophobicContact CD2-CB 4.31Å; L523-L537 HydrophobicContact CD2-CD1 4.4Å; D534-L537 HydrophobicContact CB-CD1 4.25Å; D534-L537 HydrophobicContact CB-CG 4.27Å; D534-L537 WeakPolarHBondContact O-CB 3.37Å; D534-L537 PolarHBondContact O-N 3Å; D534-L537 VanDerWaalsContact O-N 3.14Å; L535-L537 PolarHBondContact O-N 3Å; L537-P539 VanDerWaalsContact O-CD 3.31Å; L537-P539 WeakPolarHBondContact O-CD 3.24Å
538	L	82.6	Confident	72.4	Confident	19 Å²	19	62.4 Å²	62.4	10%	0.099	40%	0.397	C	S	.	.	S	Bend	trans	-66.8	122	176.4	-86.8	161.7	0	0	0	110.6	M486 M487 R490 I520 L523 L535 S536 K540	M486-L538 HydrophobicContact CG-CD1 4.45Å; M487-L538 HydrophobicContact CB-CD2 4.48Å; M487-L538 HydrophobicContact CG-CD1 3.84Å; M487-L538 HydrophobicContact CG-CD2 4.03Å; M487-L538 HydrophobicContact CG-CG 4.39Å; R490-L538 HydrophobicContact CB-CD2 4.37Å; R490-L538 HydrophobicContact CG-CD2 4.36Å; I520-L538 HydrophobicContact CG1-CD2 4.33Å; I520-L538 HydrophobicContact CG2-CD2 4.47Å; L523-L538 HydrophobicContact CD1-CD2 4.25Å; L523-L538 HydrophobicContact CD1-CG 4.34Å; L535-L538 HydrophobicContact CB-CD1 4.35Å; L535-L538 HydrophobicContact CD2-CD1 3.87Å; L535-L538 WeakPolarHBondContact O-CB 3.35Å; L535-L538 PolarHBondContact O-N 3.35Å; L535-L538 VanDerWaalsContact O-N 3.13Å; S536-L538 VanDerWaalsContact C-N 3.34Å; L538-K540 PolarHBondContact O-N 3.32Å
539	P	81.6	Confident	70.7	Confident	19 Å²	19	57.5 Å²	57.5	12%	0.123	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-55.5	131	174.9	-27.6	37.4	0	0	0	111.6	R490 Y494 L519 I520 L537	R490-P539 VanDerWaalsContact CD-O 3.3Å; R490-P539 WeakPolarHBondContact CD-O 3.14Å; R490-P539 WeakPolarHBondContact CG-O 3.23Å; R490-P539 PolarHBondContact NH1-O 3.38Å; Y494-P539 HydrophobicContact CE2-CB 3.76Å; Y494-P539 WeakPolarHBondContact OH-CB 3.45Å; L519-P539 HydrophobicContact CD2-CG 3.83Å; L519-P539 HydrophobicContact CG-CG 4.41Å; I520-P539 HydrophobicContact CD1-CG 4.41Å; I520-P539 HydrophobicContact CG1-CG 4.21Å; L537-P539 VanDerWaalsContact O-CD 3.31Å; L537-P539 WeakPolarHBondContact O-CD 3.24Å
540	K	81.5	Confident	68.9	Low	163 Å²	163	54.9 Å²	54.9	71%	0.709	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-62.2	136.9	176.8	-64.3	-177.1	-179	-178.7	0	109.4	Y494 L538	Y494-K540 PolarHBondContact OH-O 3.02Å; L538-K540 PolarHBondContact O-N 3.32Å
541	A	76.9	Confident	67.1	Low	10 Å²	10	59 Å²	59	8%	0.083	34%	0.344	C	S	.	.			trans	-40.9	135.5	-173.4	0	0	0	0	0	113.4	I549	A541-I549 HydrophobicContact CB-CB 3.85Å; A541-I549 HydrophobicContact CB-CD1 4.02Å; A541-I549 HydrophobicContact CB-CG1 4.48Å; A541-I549 HydrophobicContact CB-CG2 3.75Å
542	P	75.7	Confident	65	Low	2 Å²	2	60.2 Å²	60.2	1%	0.013	35%	0.35	C	S	.	.			trans	-68.1	144.9	-174.8	28.9	-33.5	0	0	0	110.1	Q493 Y494 A497 L513 T544	Q493-P542 HydrophobicContact CB-CG 4.32Å; Q493-P542 WeakPolarHBondContact O-CG 3.46Å; Y494-P542 HydrophobicContact CD1-CB 4.29Å; Y494-P542 HydrophobicContact CD1-CG 4.33Å; Y494-P542 HydrophobicContact CD2-CG 4.15Å; Y494-P542 HydrophobicContact CE1-CB 4.06Å; Y494-P542 HydrophobicContact CE1-CG 4.45Å; Y494-P542 HydrophobicContact CE2-CG 4.27Å; Y494-P542 HydrophobicContact CG-CG 4.2Å; A497-P542 HydrophobicContact CB-CB 3.76Å; A497-P542 HydrophobicContact CB-CG 3.68Å; L513-P542 HydrophobicContact CD2-CB 3.68Å; P542-T544 HydrophobicContact CB-CG2 4.31Å; P542-T544 HydrophobicContact CG-CG2 4.41Å; P542-T544 PolarHBondContact O-N 2.93Å; P542-T544 PolarHBondContact O-OG1 3.47Å
543	P	60.9	Low	62.9	Low	75 Å²	75	59.7 Å²	59.7	49%	0.487	34%	0.34	S	S	.	.			trans	-74.2	68.6	-173.8	33	-37	0	0	0	111.7
544	T	51.7	Low	60.5	Low	12 Å²	12	64.8 Å²	64.8	7%	0.074	37%	0.373	C	S	.	.			trans	-112.4	116.5	-172	45.6	0	0	0	0	111.1	A497 P542 G546 S547	A497-T544 HydrophobicContact CB-CG2 3.5Å; A497-T544 VanDerWaalsContact CB-CG2 3.5Å; P542-T544 HydrophobicContact CB-CG2 4.31Å; P542-T544 HydrophobicContact CG-CG2 4.41Å; P542-T544 PolarHBondContact O-N 2.93Å; P542-T544 PolarHBondContact O-OG1 3.47Å; T544-G546 PolarHBondContact O-N 3.23Å; T544-S547 PolarHBondContact O-N 2.95Å; T544-S547 WeakPolarHBondContact OG1-CB 3.23Å
545	N	46.8	Very low	58.2	Low	132 Å²	132	65.9 Å²	65.9	71%	0.706	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	66.8	171.1	-51.1	-10.2	0	0	0	109.4	K500	K500-N545 PolarHBondContact NZ-O 3.49Å
546	G	44.1	Very low	56	Low	60 Å²	60	67.2 Å²	67.2	62%	0.619	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	172.3	-32.6	-168.4	0	0	0	0	0	113.2	T544	T544-G546 PolarHBondContact O-N 3.23Å
547	S	49.3	Very low	53.9	Low	3 Å²	3	69.1 Å²	69.1	2%	0.021	42%	0.417	C	S	.	.	S	Bend	trans	-66.4	146.4	154.9	174.6	0	0	0	0	108.7	T544 I549	T544-S547 PolarHBondContact O-N 2.95Å; T544-S547 WeakPolarHBondContact OG1-CB 3.23Å; S547-I549 PolarHBondContact O-N 3.25Å; S547-I549 VanDerWaalsContact O-N 3.14Å; S547-I549 PolarHBondContact OG-N 3.05Å; S547-I549 VanDerWaalsContact OG-N 3.14Å
548	Y	54.9	Low	51.7	Low	37 Å²	37	72.9 Å²	72.9	15%	0.145	43%	0.432	C	S	.	.	S	Bend	trans	-69.8	2.8	170.4	57.2	-100.3	0	0	0	113.1	I489 Q493 F615 W648 S649	I489-Y548 WeakPolarHBondContact CG2-OH 3.49Å; Q493-Y548 VanDerWaalsContact NE2-CE2 3.31Å; Q493-Y548 PolarHBondContact NE2-OH 3.48Å; Q493-Y548 VanDerWaalsContact NE2-OH 3.08Å; Y548-F615 HydrophobicContact CD1-CE1 4.17Å; Y548-F615 AromaticContact CD1-CE2 3.86Å; Y548-F615 HydrophobicContact CD1-CE2 3.86Å; Y548-F615 AromaticContact CD1-CZ 3.5Å; Y548-F615 HydrophobicContact CD1-CZ 3.5Å; Y548-F615 VanDerWaalsContact CD1-CZ 3.5Å; Y548-F615 HydrophobicContact CD2-CZ 4.08Å; Y548-F615 HydrophobicContact CE1-CD2 4.19Å; Y548-F615 HydrophobicContact CE1-CE1 4.4Å; Y548-F615 AromaticContact CE1-CE2 3.26Å; Y548-F615 HydrophobicContact CE1-CE2 3.26Å; Y548-F615 AromaticContact CE1-CZ 3.38Å; Y548-F615 HydrophobicContact CE1-CZ 3.38Å; Y548-F615 HydrophobicContact CE2-CE2 4.26Å; Y548-F615 AromaticContact CE2-CZ 3.99Å; Y548-F615 HydrophobicContact CE2-CZ 3.99Å; Y548-F615 HydrophobicContact CG-CE1 4.47Å; Y548-F615 AromaticContact CG-CZ 3.84Å; Y548-F615 HydrophobicContact CG-CZ 3.84Å; Y548-F615 AromaticContact CZ-CE2 3.48Å; Y548-F615 VanDerWaalsContact CZ-CE2 3.48Å; Y548-F615 AromaticContact CZ-CZ 3.62Å; Y548-W648 AromaticContact CD2-CD2 3.69Å; Y548-W648 HydrophobicContact CD2-CD2 3.69Å; Y548-W648 AromaticContact CD2-CE3 3.29Å; Y548-W648 HydrophobicContact CD2-CE3 3.29Å; Y548-W648 HydrophobicContact CD2-CG 4.44Å; Y548-W648 HydrophobicContact CD2-CH2 4Å; Y548-W648 HydrophobicContact CD2-CZ2 4.3Å; Y548-W648 AromaticContact CD2-CZ3 3.48Å; Y548-W648 HydrophobicContact CD2-CZ3 3.48Å; Y548-W648 VanDerWaalsContact CD2-CZ3 3.48Å; Y548-W648 HydrophobicContact CE2-CD2 4.1Å; Y548-W648 AromaticContact CE2-CE3 3.69Å; Y548-W648 HydrophobicContact CE2-CE3 3.69Å; Y548-W648 AromaticContact CE2-CH2 3.46Å; Y548-W648 HydrophobicContact CE2-CH2 3.46Å; Y548-W648 VanDerWaalsContact CE2-CH2 3.46Å; Y548-W648 AromaticContact CE2-CZ2 3.84Å; Y548-W648 HydrophobicContact CE2-CZ2 3.84Å; Y548-W648 AromaticContact CE2-CZ3 3.36Å; Y548-W648 HydrophobicContact CE2-CZ3 3.36Å; Y548-W648 HydrophobicContact CG-CE3 4.27Å; Y548-W648 CarbonylContact O-C 3.49Å; Y548-W648 WeakPolarHBondContact O-CA 3.26Å; Y548-W648 WeakPolarHBondContact O-CB 3.39Å; Y548-S649 WeakPolarHBondContact CA-O 3.41Å; Y548-S649 WeakPolarHBondContact CB-O 3.39Å; Y548-S649 PolarHBondContact O-N 3.04Å
549	I	53	Low	49.6	Very low	8 Å²	8	78.3 Å²	78.3	4%	0.041	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-113.5	120	171.5	-47.1	-176.3	0	0	0	109.8	A541 S547 E646 W648	A541-I549 HydrophobicContact CB-CB 3.85Å; A541-I549 HydrophobicContact CB-CD1 4.02Å; A541-I549 HydrophobicContact CB-CG1 4.48Å; A541-I549 HydrophobicContact CB-CG2 3.75Å; S547-I549 PolarHBondContact O-N 3.25Å; S547-I549 VanDerWaalsContact O-N 3.14Å; S547-I549 PolarHBondContact OG-N 3.05Å; S547-I549 VanDerWaalsContact OG-N 3.14Å; I549-E646 WeakPolarHBondContact CD1-OE2 3.41Å; I549-E646 HydrophobicContact CG2-CB 4.39Å; I549-W648 HydrophobicContact CD1-CZ2 4.12Å; I549-W648 HydrophobicContact CG1-CD2 4.24Å; I549-W648 HydrophobicContact CG1-CG 4.35Å; I549-W648 HydrophobicContact CG1-CZ2 4.34Å
550	V	48.7	Very low	47.3	Very low	34 Å²	34	83.1 Å²	83.1	21%	0.206	49%	0.492	C	S	.	.			trans	-117	123.3	178.7	175.4	0	0	0	0	109.9	S552 S647 F808	V550-S552 PolarHBondContact O-N 3.25Å; V550-S647 PolarHBondContact N-O 3.02Å; V550-S647 WeakPolarHBondContact O-CB 3.46Å; V550-F808 HydrophobicContact CB-CE1 4.19Å; V550-F808 HydrophobicContact CG1-CE1 4.38Å; V550-F808 HydrophobicContact CG2-CE1 4.02Å
551	R	42.3	Very low	45.1	Very low	159 Å²	159	80.5 Å²	80.5	60%	0.6	49%	0.494	S	S	*	.			trans	-70	99	-174	-175.6	-173	-69.3	-169.2	-0.9	112
552	S	36.2	Very low	43	Very low	73 Å²	73	85.4 Å²	85.4	51%	0.51	53%	0.534	S	S	.	.			trans	-73.2	148.6	163.6	-64.1	0	0	0	0	112.1	V550 S647	V550-S552 PolarHBondContact O-N 3.25Å; S552-S647 VanDerWaalsContact CB-OG 3.29Å; S552-S647 WeakPolarHBondContact CB-OG 3.13Å; S552-S647 VanDerWaalsContact OG-CB 3.32Å; S552-S647 WeakPolarHBondContact OG-CB 3.36Å; S552-S647 PolarHBondContact OG-OG 3.48Å
553	S	33.8	Very low	41.1	Very low	96 Å²	96	89.6 Å²	89.6	67%	0.671	57%	0.569	S	S	*	*			trans	-67.7	149.2	175.8	-162.6	0	0	0	0	111.4	S555	S553-S555 VanDerWaalsContact C-N 3.29Å; S553-S555 PolarHBondContact O-N 3.31Å
554	P	31.3	Very low	39.8	Very low	126 Å²	126	90.5 Å²	90.5	82%	0.818	58%	0.583	S	S	*	*	S	Bend	trans	-71.5	81.2	176.3	30.3	-36.3	0	0	0	111.7
555	S	29.7	Very low	38.9	Very low	110 Å²	110	94.5 Å²	94.5	77%	0.769	62%	0.617	S	S	*	*			trans	-139.6	46.2	175.9	63	0	0	0	0	112	S553	S553-S555 VanDerWaalsContact C-N 3.29Å; S553-S555 PolarHBondContact O-N 3.31Å
556	A	35.2	Very low	38.2	Very low	83 Å²	83	93.5 Å²	93.5	69%	0.686	63%	0.627	S	S	*	*	S	Bend	trans	-129.3	149.2	161.4	0	0	0	0	0	108	Q558	A556-Q558 PolarHBondContact O-N 3.42Å
557	P	33.9	Very low	37.7	Very low	132 Å²	132	94.3 Å²	94.3	86%	0.857	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-67.1	117.5	-168	-20.7	33.5	0	0	0	112.7	L559	P557-L559 PolarHBondContact O-N 2.96Å
558	Q	34.6	Very low	37	Very low	178 Å²	178	103.5 Å²	103.5	83%	0.832	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-68.2	125.7	160.7	-68.9	179.9	-26.6	0	0	108.1	A556	A556-Q558 PolarHBondContact O-N 3.42Å
559	L	39.7	Very low	36	Very low	132 Å²	132	105.8 Å²	105.8	69%	0.691	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-62.5	131.3	159.3	-91.5	82	0	0	0	107.6	P557 S561	P557-L559 PolarHBondContact O-N 2.96Å; L559-S561 PolarHBondContact O-N 2.89Å
560	P	33.1	Very low	35.2	Very low	121 Å²	121	112.4 Å²	112.4	79%	0.786	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-70.4	119.3	-176.1	27.2	-33.5	0	0	0	110.7	A562	P560-A562 PolarHBondContact O-N 3.27Å
561	S	34.4	Very low	34.8	Very low	108 Å²	108	120.5 Å²	120.5	76%	0.755	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-61.6	130.8	167.3	-178.5	0	0	0	0	109.7	L559 A563	L559-S561 PolarHBondContact O-N 2.89Å; S561-A563 PolarHBondContact O-N 3Å
562	A	33.8	Very low	34.1	Very low	112 Å²	112	122.4 Å²	122.4	93%	0.926	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	32	-163.7	0	0	0	0	0	115.3	P560	P560-A562 PolarHBondContact O-N 3.27Å
563	A	35.4	Very low	34	Very low	91 Å²	91	124.5 Å²	124.5	75%	0.752	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	3	-164.7	0	0	0	0	0	116	S561	S561-A563 PolarHBondContact O-N 3Å
564	A	34.7	Very low	33.9	Very low	93 Å²	93	126.9 Å²	126.9	77%	0.769	80%	0.802	S	S	*	*			trans	-134.5	99.8	174	0	0	0	0	0	109.9
565	A	31.6	Very low	34.6	Very low	96 Å²	96	126.8 Å²	126.8	79%	0.793	80%	0.799	S	S	*	*				84.7	92.5	71.7	0	0	0	0	0	113.5
566	A	32	Very low	35.3	Very low	111 Å²	111	127.1 Å²	127.1	92%	0.917	80%	0.796	S	S	*	*			trans	32.3	103.3	156	0	0	0	0	0	119.1
567	G	34	Very low	36.5	Very low	78 Å²	78	126.1 Å²	126.1	80%	0.804	78%	0.782	S	S	*	*			trans	-169.9	59.8	177.4	0	0	0	0	0	115.8
568	E	35.6	Very low	38.8	Very low	195 Å²	195	124.6 Å²	124.6	91%	0.911	77%	0.766	S	S	*	*			trans	28.2	128.5	149.7	-155.2	154.2	-152.5	0	0	122.4
569	A	33.6	Very low	41.3	Very low	86 Å²	86	119.4 Å²	119.4	71%	0.711	74%	0.739	S	S	*	*			trans	76	114.9	156.8	0	0	0	0	0	122.4
570	D	34.9	Very low	43.6	Very low	147 Å²	147	116.9 Å²	116.9	79%	0.786	73%	0.726	S	S	*	*			trans	55.4	74.7	141	-63.8	-30.4	0	0	0	121.9
571	K	41.1	Very low	46.2	Very low	203 Å²	203	115.1 Å²	115.1	88%	0.883	71%	0.71	S	S	*	*				-157.6	141.7	126.3	-92	123.1	-160.4	163.3	0	111.1	P573	K571-P573 WeakPolarHBondContact O-CD 3.19Å
572	K	28.3	Very low	48.8	Very low	199 Å²	199	112 Å²	112	87%	0.865	68%	0.684	S	S	*	*			trans	-74.3	136.2	172	-74.3	-177.6	176	-179.7	0	111.3
573	P	33.2	Very low	51.6	Low	117 Å²	117	106.6 Å²	106.6	76%	0.76	64%	0.64	S	S	*	*			trans	-131.9	106.8	134.6	33.5	-20.4	0	0	0	110.9	K571	K571-P573 WeakPolarHBondContact O-CD 3.19Å
574	L	32.7	Very low	54.2	Low	146 Å²	146	103.7 Å²	103.7	76%	0.764	62%	0.615	S	S	*	*			trans	-104.1	100	164.5	-106.7	78	0	0	0	108.9
575	V	45.2	Very low	56.7	Low	124 Å²	124	102 Å²	102	75%	0.752	60%	0.597	S	S	*	*			trans	-131.8	81.3	153	-175.1	0	0	0	0	106.7	T577	V575-T577 VanDerWaalsContact C-N 3.33Å; V575-T577 HydrophobicContact CG1-CG2 4.15Å; V575-T577 PolarHBondContact O-N 3.43Å; V575-T577 VanDerWaalsContact O-N 3.11Å
576	T	43.6	Very low	59.7	Low	117 Å²	117	97.5 Å²	97.5	72%	0.718	56%	0.559	S	S	*	*			trans	-73	90.7	165.3	45.5	0	0	0	0	107.9	N578	T576-N578 PolarHBondContact O-N 3.27Å
577	T	61.8	Low	62.5	Low	63 Å²	63	92.6 Å²	92.6	39%	0.387	52%	0.518	S	S	.	.			trans	-62	126.8	167.7	46.4	0	0	0	0	108.8	V575	V575-T577 VanDerWaalsContact C-N 3.33Å; V575-T577 HydrophobicContact CG1-CG2 4.15Å; V575-T577 PolarHBondContact O-N 3.43Å; V575-T577 VanDerWaalsContact O-N 3.11Å
578	N	82.6	Confident	65.1	Low	99 Å²	99	93 Å²	93	53%	0.529	50%	0.497	S	S	.	.			trans	-68	155.4	178.9	-56.8	-76.6	0	0	0	110	T576 D580 D581 I582	T576-N578 PolarHBondContact O-N 3.27Å; N578-D580 PolarHBondContact O-N 2.9Å; N578-D581 HydrophobicContact CB-CB 4.45Å; N578-D581 VanDerWaalsContact CB-OD2 3.25Å; N578-D581 WeakPolarHBondContact CB-OD2 3.41Å; N578-D581 PolarHBondContact N-OD2 3.22Å; N578-D581 PolarHBondContact ND2-OD2 3Å; N578-D581 WeakPolarHBondContact O-CB 3.39Å; N578-D581 PolarHBondContact O-N 2.83Å; N578-I582 PolarHBondContact O-N 2.88Å; N578-I582 VanDerWaalsContact O-N 3.12Å
579	R	86.6	Confident	67.6	Low	70 Å²	70	85.9 Å²	85.9	26%	0.264	47%	0.466	S	S	.	.	H	α-helix	trans	-49.2	-45.8	176.4	-166.6	-158.5	73.9	119.4	-2.9	111.2	I582 Y583 Q634 E637 D638 P640	R579-I582 PolarHBondContact O-N 3.12Å; R579-Y583 HydrophobicContact CG-CD2 4.11Å; R579-Y583 HydrophobicContact CG-CE2 3.93Å; R579-Y583 VanDerWaalsContact O-CD2 3.29Å; R579-Y583 WeakPolarHBondContact O-CD2 3.48Å; R579-Y583 PolarHBondContact O-N 3.48Å; R579-Y583 VanDerWaalsContact O-N 3.11Å; R579-Q634 PolarHBondContact NH1-O 3.31Å; R579-E637 VanDerWaalsContact NH1-CA 3.33Å; R579-D638 PolarHBondContact NH1-O 2.93Å; R579-D638 VanDerWaalsContact NH1-O 3.16Å; R579-P640 HydrophobicContact CG-CG 3.98Å
580	D	87	Confident	70.5	Confident	78 Å²	78	81.8 Å²	81.8	42%	0.417	43%	0.432	S	S	.	.	H	α-helix	trans	-77.5	-23.2	-175.8	-44.1	-62.5	0	0	0	112.8	N578 S584	N578-D580 PolarHBondContact O-N 2.9Å; D580-S584 WeakPolarHBondContact O-CB 3.23Å; D580-S584 PolarHBondContact O-N 2.69Å; D580-S584 PolarHBondContact O-OG 2.99Å
581	D	87.7	Confident	73.1	Confident	85 Å²	85	75.3 Å²	75.3	46%	0.455	40%	0.397	S	S	.	.	H	α-helix	trans	-67.9	-41.6	169.6	-63.9	-40.3	0	0	0	110.5	N578 S584 S585	N578-D581 HydrophobicContact CB-CB 4.45Å; N578-D581 VanDerWaalsContact CB-OD2 3.25Å; N578-D581 WeakPolarHBondContact CB-OD2 3.41Å; N578-D581 PolarHBondContact N-OD2 3.22Å; N578-D581 PolarHBondContact ND2-OD2 3Å; N578-D581 WeakPolarHBondContact O-CB 3.39Å; N578-D581 PolarHBondContact O-N 2.83Å; D581-S584 PolarHBondContact O-N 3.35Å; D581-S585 PolarHBondContact O-N 3.24Å
582	I	89	Confident	75.2	Confident	41 Å²	41	68.7 Å²	68.7	21%	0.21	37%	0.373	C	S	.	.	H	α-helix	trans	-63.2	-52.2	177.4	-60.8	167.2	0	0	0	109.5	N578 R579 S584 S585 L586 P640 F643	N578-I582 PolarHBondContact O-N 2.88Å; N578-I582 VanDerWaalsContact O-N 3.12Å; R579-I582 PolarHBondContact O-N 3.12Å; I582-S584 VanDerWaalsContact C-N 3.28Å; I582-S584 PolarHBondContact O-N 3.32Å; I582-S585 PolarHBondContact O-N 2.88Å; I582-L586 HydrophobicContact CG2-CD1 3.98Å; I582-L586 HydrophobicContact CG2-CG 4.34Å; I582-L586 WeakPolarHBondContact O-CG 3.18Å; I582-L586 PolarHBondContact O-N 2.74Å; I582-P640 HydrophobicContact CB-CB 4.48Å; I582-P640 HydrophobicContact CB-CG 4.23Å; I582-P640 HydrophobicContact CD1-CG 4.34Å; I582-P640 HydrophobicContact CG2-CB 3.76Å; I582-P640 HydrophobicContact CG2-CG 4.05Å; I582-F643 HydrophobicContact CG2-CE1 4.07Å
583	Y	92.5	Very high	78.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-55.9	-43.3	174	-81.4	-66.5	0	0	0	112.1	R579 S585 L586 L587 V630 A633 Q634 D638 P639 P640	R579-Y583 HydrophobicContact CG-CD2 4.11Å; R579-Y583 HydrophobicContact CG-CE2 3.93Å; R579-Y583 VanDerWaalsContact O-CD2 3.29Å; R579-Y583 WeakPolarHBondContact O-CD2 3.48Å; R579-Y583 PolarHBondContact O-N 3.48Å; R579-Y583 VanDerWaalsContact O-N 3.11Å; Y583-S585 PolarHBondContact O-N 2.67Å; Y583-L586 PolarHBondContact O-N 2.89Å; Y583-L587 WeakPolarHBondContact O-CG 3.42Å; Y583-L587 PolarHBondContact O-N 2.96Å; Y583-V630 HydrophobicContact CD1-CG1 3.7Å; Y583-V630 HydrophobicContact CE1-CG1 4.07Å; Y583-V630 WeakPolarHBondContact CE1-O 3.1Å; Y583-A633 HydrophobicContact CE1-CB 4.06Å; Y583-A633 WeakPolarHBondContact OH-CB 3.3Å; Y583-Q634 HydrophobicContact CD1-CB 3.67Å; Y583-Q634 HydrophobicContact CD1-CG 4.1Å; Y583-Q634 HydrophobicContact CD2-CB 4.23Å; Y583-Q634 HydrophobicContact CD2-CG 3.96Å; Y583-Q634 HydrophobicContact CE1-CB 3.83Å; Y583-Q634 HydrophobicContact CE2-CB 4.37Å; Y583-Q634 HydrophobicContact CE2-CG 4.45Å; Y583-Q634 HydrophobicContact CG-CB 3.9Å; Y583-Q634 HydrophobicContact CG-CG 3.78Å; Y583-D638 PolarHBondContact OH-O 3.06Å; Y583-P639 VanDerWaalsContact OH-C 3.28Å; Y583-P639 PolarHBondContact OH-O 2.96Å; Y583-P640 HydrophobicContact CD2-CG 4.13Å; Y583-P640 HydrophobicContact CE2-CB 4.32Å; Y583-P640 HydrophobicContact CE2-CG 3.73Å; Y583-P640 WeakPolarHBondContact OH-CA 3.5Å
584	S	89.9	Confident	81	Confident	30 Å²	30	54 Å²	54	21%	0.21	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-20.8	177.8	-64.1	0	0	0	0	114.3	D580 D581 I582 K588	D580-S584 WeakPolarHBondContact O-CB 3.23Å; D580-S584 PolarHBondContact O-N 2.69Å; D580-S584 PolarHBondContact O-OG 2.99Å; D581-S584 PolarHBondContact O-N 3.35Å; I582-S584 VanDerWaalsContact C-N 3.28Å; I582-S584 PolarHBondContact O-N 3.32Å; S584-K588 WeakPolarHBondContact O-CD 3.39Å; S584-K588 WeakPolarHBondContact O-CE 3.29Å; S584-K588 VanDerWaalsContact O-CG 3.24Å; S584-K588 WeakPolarHBondContact O-CG 3.32Å; S584-K588 PolarHBondContact O-NZ 2.81Å
585	S	88.9	Confident	83.5	Confident	56 Å²	56	50.3 Å²	50.3	39%	0.392	28%	0.277	S	S	.	.	H	α-helix	trans	-79.6	-57.4	168.2	-163	0	0	0	0	109.9	D581 I582 Y583 L587 K588 D589	D581-S585 PolarHBondContact O-N 3.24Å; I582-S585 PolarHBondContact O-N 2.88Å; Y583-S585 PolarHBondContact O-N 2.67Å; S585-L587 PolarHBondContact O-N 2.82Å; S585-L587 VanDerWaalsContact O-N 3.12Å; S585-K588 WeakPolarHBondContact O-CA 3.39Å; S585-K588 WeakPolarHBondContact O-CB 3.19Å; S585-K588 PolarHBondContact O-N 3.45Å; S585-D589 VanDerWaalsContact C-OD2 3.26Å; S585-D589 PolarHBondContact O-N 2.92Å; S585-D589 PolarHBondContact OG-OD2 2.76Å
586	L	92.7	Very high	85.5	Confident	2 Å²	2	45 Å²	45	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-52	-42.7	-175.1	-64.9	174.4	0	0	0	112.3	I582 Y583 L590 V630 F643 L812 I814	I582-L586 HydrophobicContact CG2-CD1 3.98Å; I582-L586 HydrophobicContact CG2-CG 4.34Å; I582-L586 WeakPolarHBondContact O-CG 3.18Å; I582-L586 PolarHBondContact O-N 2.74Å; Y583-L586 PolarHBondContact O-N 2.89Å; L586-L590 VanDerWaalsContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CB 3.2Å; L586-L590 WeakPolarHBondContact O-CD1 3.47Å; L586-L590 VanDerWaalsContact O-CG 3.3Å; L586-L590 WeakPolarHBondContact O-CG 3.49Å; L586-L590 PolarHBondContact O-N 3.14Å; L586-V630 HydrophobicContact CB-CG1 3.95Å; L586-V630 HydrophobicContact CD1-CG1 4.38Å; L586-F643 HydrophobicContact CD1-CD1 4.14Å; L586-F643 HydrophobicContact CD1-CE1 4.36Å; L586-F643 HydrophobicContact CD2-CB 4.27Å; L586-F643 HydrophobicContact CD2-CD1 3.72Å; L586-F643 HydrophobicContact CD2-CD2 3.98Å; L586-F643 HydrophobicContact CD2-CE1 3.99Å; L586-F643 HydrophobicContact CD2-CE2 4.24Å; L586-F643 HydrophobicContact CD2-CG 3.73Å; L586-F643 HydrophobicContact CD2-CZ 4.25Å; L586-L812 HydrophobicContact CB-CD2 4.34Å; L586-L812 HydrophobicContact CD2-CD1 3.75Å; L586-L812 HydrophobicContact CD2-CD2 3.59Å; L586-L812 HydrophobicContact CD2-CG 4.29Å; L586-I814 HydrophobicContact CD2-CD1 4.25Å
587	L	92.3	Very high	87.7	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-39	177	-66.6	178	0	0	0	113.2	L7 Y583 S585 I591 L627 V630 R631	L7-L587 HydrophobicContact CD2-CB 4.05Å; Y583-L587 WeakPolarHBondContact O-CG 3.42Å; Y583-L587 PolarHBondContact O-N 2.96Å; S585-L587 PolarHBondContact O-N 2.82Å; S585-L587 VanDerWaalsContact O-N 3.12Å; L587-I591 WeakPolarHBondContact O-CB 2.99Å; L587-I591 WeakPolarHBondContact O-CD1 3.42Å; L587-I591 WeakPolarHBondContact O-CG1 3.44Å; L587-I591 PolarHBondContact O-N 3.14Å; L587-L627 HydrophobicContact CB-CD1 4.39Å; L587-L627 HydrophobicContact CD2-CD1 3.6Å; L587-V630 HydrophobicContact CD2-CB 4.02Å; L587-V630 HydrophobicContact CD2-CG1 3.61Å; L587-V630 HydrophobicContact CG-CG1 4.02Å; L587-R631 HydrophobicContact CD1-CG 4.2Å; L587-R631 HydrophobicContact CD2-CG 3.58Å
588	K	87.8	Confident	88.9	Confident	86 Å²	86	38.4 Å²	38.4	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-69.3	-41.2	177.1	-70.1	170.9	-165.3	157.3	0	111.3	L7 S584 S585 I591 T592	L7-K588 HydrophobicContact CD1-CG 3.91Å; L7-K588 HydrophobicContact CD2-CG 4.17Å; S584-K588 WeakPolarHBondContact O-CD 3.39Å; S584-K588 WeakPolarHBondContact O-CE 3.29Å; S584-K588 VanDerWaalsContact O-CG 3.24Å; S584-K588 WeakPolarHBondContact O-CG 3.32Å; S584-K588 PolarHBondContact O-NZ 2.81Å; S585-K588 WeakPolarHBondContact O-CA 3.39Å; S585-K588 WeakPolarHBondContact O-CB 3.19Å; S585-K588 PolarHBondContact O-N 3.45Å; K588-I591 PolarHBondContact O-N 3.27Å; K588-T592 WeakPolarHBondContact O-CB 3.41Å; K588-T592 PolarHBondContact O-N 3.15Å; K588-T592 PolarHBondContact O-OG1 3.19Å
589	D	88.9	Confident	89	Confident	47 Å²	47	38.1 Å²	38.1	25%	0.251	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-47.3	176.8	-64.1	-47.5	0	0	0	109.9	S585 T592 Q593 Y645 L812	S585-D589 VanDerWaalsContact C-OD2 3.26Å; S585-D589 PolarHBondContact O-N 2.92Å; S585-D589 PolarHBondContact OG-OD2 2.76Å; D589-T592 WeakPolarHBondContact O-CB 3.41Å; D589-T592 PolarHBondContact O-N 2.78Å; D589-Q593 VanDerWaalsContact O-CG 3.29Å; D589-Q593 WeakPolarHBondContact O-CG 3.47Å; D589-Q593 PolarHBondContact O-N 3.49Å; D589-Y645 PolarHBondContact OD2-OH 3.19Å; D589-L812 HydrophobicContact CB-CB 4.42Å; D589-L812 HydrophobicContact CB-CD2 3.64Å
590	L	93.3	Very high	88.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-43	176.2	-76.6	160.2	0	0	0	113.6	L586 T592 Q593 I594 D626 L627 V630 L812 I814	L586-L590 VanDerWaalsContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CB 3.2Å; L586-L590 WeakPolarHBondContact O-CD1 3.47Å; L586-L590 VanDerWaalsContact O-CG 3.3Å; L586-L590 WeakPolarHBondContact O-CG 3.49Å; L586-L590 PolarHBondContact O-N 3.14Å; L590-T592 VanDerWaalsContact C-N 3.32Å; L590-T592 PolarHBondContact O-N 2.9Å; L590-Q593 WeakPolarHBondContact O-CB 3.4Å; L590-Q593 PolarHBondContact O-N 3.25Å; L590-I594 WeakPolarHBondContact O-CG1 3.45Å; L590-I594 PolarHBondContact O-N 3.04Å; L590-D626 HydrophobicContact CD1-CB 4.28Å; L590-D626 HydrophobicContact CD2-CB 3.61Å; L590-L627 HydrophobicContact CB-CB 4.28Å; L590-L627 HydrophobicContact CB-CD1 3.74Å; L590-V630 HydrophobicContact CD1-CB 4.2Å; L590-V630 HydrophobicContact CD1-CG2 3.79Å; L590-L812 HydrophobicContact CD1-CD2 4.48Å; L590-L812 HydrophobicContact CG-CD2 4.07Å; L590-I814 HydrophobicContact CD1-CD1 4.49Å; L590-I814 HydrophobicContact CD1-CG1 4.46Å
591	I	90.6	Very high	88.9	Confident	11 Å²	11	31.6 Å²	31.6	6%	0.056	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-44	173.2	-71.7	164.4	0	0	0	110.5	L7 Y15 L587 K588 Q593 I594 Q595 L627	L7-I591 HydrophobicContact CD1-CD1 4.42Å; L7-I591 HydrophobicContact CD2-CD1 4.24Å; L7-I591 HydrophobicContact CG-CD1 4.18Å; Y15-I591 HydrophobicContact CE2-CG2 4.46Å; L587-I591 WeakPolarHBondContact O-CB 2.99Å; L587-I591 WeakPolarHBondContact O-CD1 3.42Å; L587-I591 WeakPolarHBondContact O-CG1 3.44Å; L587-I591 PolarHBondContact O-N 3.14Å; K588-I591 PolarHBondContact O-N 3.27Å; I591-Q593 VanDerWaalsContact C-N 3.31Å; I591-Q593 PolarHBondContact O-N 3.47Å; I591-I594 PolarHBondContact O-N 3.12Å; I591-Q595 WeakPolarHBondContact O-CG 3.45Å; I591-Q595 PolarHBondContact O-N 2.83Å; I591-L627 HydrophobicContact CD1-CD1 4.46Å; I591-L627 HydrophobicContact CG1-CD1 3.9Å; I591-L627 HydrophobicContact CG1-CD2 4.05Å
592	T	85.6	Confident	88.7	Confident	63 Å²	63	31.7 Å²	31.7	39%	0.387	17%	0.168	S	C	.	.	H	α-helix	trans	-63.2	-38.1	178	-54.4	0	0	0	0	111.5	K588 D589 L590 Q595 I596	K588-T592 WeakPolarHBondContact O-CB 3.41Å; K588-T592 PolarHBondContact O-N 3.15Å; K588-T592 PolarHBondContact O-OG1 3.19Å; D589-T592 WeakPolarHBondContact O-CB 3.41Å; D589-T592 PolarHBondContact O-N 2.78Å; L590-T592 VanDerWaalsContact C-N 3.32Å; L590-T592 PolarHBondContact O-N 2.9Å; T592-Q595 PolarHBondContact O-N 3.36Å; T592-I596 HydrophobicContact CG2-CD1 4.07Å; T592-I596 WeakPolarHBondContact O-CD1 3.19Å; T592-I596 VanDerWaalsContact O-CG1 3.24Å; T592-I596 WeakPolarHBondContact O-CG1 3.44Å; T592-I596 PolarHBondContact O-N 3.02Å
593	Q	90.1	Very high	88.2	Confident	7 Å²	7	32.4 Å²	32.4	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-44.1	174.5	-72.1	172.5	-62.3	0	0	112.3	D589 L590 I591 I596 C597 C623 W811 L812	D589-Q593 VanDerWaalsContact O-CG 3.29Å; D589-Q593 WeakPolarHBondContact O-CG 3.47Å; D589-Q593 PolarHBondContact O-N 3.49Å; L590-Q593 WeakPolarHBondContact O-CB 3.4Å; L590-Q593 PolarHBondContact O-N 3.25Å; I591-Q593 VanDerWaalsContact C-N 3.31Å; I591-Q593 PolarHBondContact O-N 3.47Å; Q593-I596 WeakPolarHBondContact O-CB 3.35Å; Q593-I596 PolarHBondContact O-N 3.46Å; Q593-C597 PolarHBondContact O-N 2.96Å; Q593-C597 PolarHBondContact O-SG 2.74Å; Q593-C623 HydrophobicContact CB-CB 4.41Å; Q593-W811 HydrophobicContact CB-CH2 3.57Å; Q593-W811 HydrophobicContact CB-CZ2 3.67Å; Q593-W811 HydrophobicContact CB-CZ3 4.03Å; Q593-W811 HydrophobicContact CG-CD2 3.93Å; Q593-W811 HydrophobicContact CG-CE3 3.79Å; Q593-W811 HydrophobicContact CG-CH2 3.73Å; Q593-W811 HydrophobicContact CG-CZ2 3.82Å; Q593-W811 HydrophobicContact CG-CZ3 3.71Å; Q593-W811 VanDerWaalsContact NE2-NE1 3.18Å; Q593-L812 PolarHBondContact NE2-O 3.03Å
594	I	91.2	Very high	87.8	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-47.4	177	-64.6	163.3	0	0	0	110.3	Y15 L590 I591 I596 C597 D598 R620 C623 K624 L627	Y15-I594 HydrophobicContact CE1-CG2 3.85Å; Y15-I594 WeakPolarHBondContact OH-CG2 3.38Å; L590-I594 WeakPolarHBondContact O-CG1 3.45Å; L590-I594 PolarHBondContact O-N 3.04Å; I591-I594 PolarHBondContact O-N 3.12Å; I594-I596 VanDerWaalsContact C-N 3.3Å; I594-I596 PolarHBondContact O-N 3.44Å; I594-C597 WeakPolarHBondContact O-CA 3.29Å; I594-C597 WeakPolarHBondContact O-CB 3.46Å; I594-C597 PolarHBondContact O-N 2.99Å; I594-D598 PolarHBondContact O-N 2.73Å; I594-R620 HydrophobicContact CG2-CG 4.11Å; I594-C623 HydrophobicContact CG1-CB 3.71Å; I594-K624 HydrophobicContact CD1-CG 3.96Å; I594-K624 HydrophobicContact CG1-CG 4.37Å; I594-L627 HydrophobicContact CD1-CB 4.32Å; I594-L627 HydrophobicContact CD1-CD2 3.79Å
595	Q	86.5	Confident	87.7	Confident	67 Å²	67	36.2 Å²	36.2	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-57.8	-40.4	175.6	-69.3	176.2	-6.5	0	0	112.7	Y15 I591 T592 D598 L599	Y15-Q595 WeakPolarHBondContact OH-CG 3.47Å; I591-Q595 WeakPolarHBondContact O-CG 3.45Å; I591-Q595 PolarHBondContact O-N 2.83Å; T592-Q595 PolarHBondContact O-N 3.36Å; Q595-D598 PolarHBondContact O-N 3.06Å; Q595-L599 WeakPolarHBondContact O-CG 3.44Å; Q595-L599 PolarHBondContact O-N 3.34Å; Q595-L599 VanDerWaalsContact O-N 3.09Å
596	I	86.4	Confident	87.2	Confident	14 Å²	14	39.6 Å²	39.6	7%	0.072	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-47	173.8	-69.8	158.8	0	0	0	109.9	T592 Q593 I594 D598 L599 N600 W811	T592-I596 HydrophobicContact CG2-CD1 4.07Å; T592-I596 WeakPolarHBondContact O-CD1 3.19Å; T592-I596 VanDerWaalsContact O-CG1 3.24Å; T592-I596 WeakPolarHBondContact O-CG1 3.44Å; T592-I596 PolarHBondContact O-N 3.02Å; Q593-I596 WeakPolarHBondContact O-CB 3.35Å; Q593-I596 PolarHBondContact O-N 3.46Å; I594-I596 VanDerWaalsContact C-N 3.3Å; I594-I596 PolarHBondContact O-N 3.44Å; I596-D598 PolarHBondContact O-N 3.24Å; I596-L599 PolarHBondContact O-N 3.43Å; I596-N600 PolarHBondContact O-N 3.28Å; I596-N600 PolarHBondContact O-ND2 3.11Å; I596-W811 HydrophobicContact CB-CH2 4.34Å; I596-W811 HydrophobicContact CB-CZ3 4.3Å; I596-W811 HydrophobicContact CD1-CZ3 4.04Å; I596-W811 HydrophobicContact CG2-CH2 4.24Å; I596-W811 HydrophobicContact CG2-CZ3 4.08Å
597	C	90	Very high	86.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-48.4	176.8	-63.5	0	0	0	0	111.9	Q593 I594 L599 N600 I601 R620	Q593-C597 PolarHBondContact O-N 2.96Å; Q593-C597 PolarHBondContact O-SG 2.74Å; I594-C597 WeakPolarHBondContact O-CA 3.29Å; I594-C597 WeakPolarHBondContact O-CB 3.46Å; I594-C597 PolarHBondContact O-N 2.99Å; C597-L599 PolarHBondContact O-N 3.46Å; C597-N600 WeakPolarHBondContact O-CA 3.14Å; C597-N600 PolarHBondContact O-N 3.17Å; C597-I601 VanDerWaalsContact O-CG1 3.23Å; C597-I601 WeakPolarHBondContact O-CG1 3.35Å; C597-I601 PolarHBondContact O-N 3.13Å; C597-R620 HydrophobicContact CB-CB 3.71Å; C597-R620 HydrophobicContact CB-CG 4.16Å
598	D	87.9	Confident	86.2	Confident	40 Å²	40	46 Å²	46	21%	0.214	24%	0.238	C	C	.	.	H	α-helix	trans	-56.1	-46.1	178.7	-70.9	-44.8	0	0	0	112.4	Y15 I594 Q595 I596 N600 I601 E602 R620	Y15-D598 PolarHBondContact OH-OD2 2.77Å; I594-D598 PolarHBondContact O-N 2.73Å; Q595-D598 PolarHBondContact O-N 3.06Å; I596-D598 PolarHBondContact O-N 3.24Å; D598-N600 VanDerWaalsContact C-N 3.29Å; D598-N600 PolarHBondContact O-N 2.99Å; D598-I601 PolarHBondContact O-N 3.34Å; D598-E602 WeakPolarHBondContact O-CB 3.2Å; D598-E602 PolarHBondContact O-N 3.02Å; D598-R620 WeakPolarHBondContact OD1-CD 3.3Å; D598-R620 IonicContact OD1-CZ 3.57Å; D598-R620 IonicContact OD1-NE 3.3Å; D598-R620 IonicContact OD1-NH1 3.55Å; D598-R620 PolarHBondContact OD1-NH1 3.42Å
599	L	83.1	Confident	86	Confident	93 Å²	93	44.1 Å²	44.1	49%	0.487	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-34.7	174.9	-71.3	170.5	0	0	0	113	Q595 I596 C597 F603	Q595-L599 WeakPolarHBondContact O-CG 3.44Å; Q595-L599 PolarHBondContact O-N 3.34Å; Q595-L599 VanDerWaalsContact O-N 3.09Å; I596-L599 PolarHBondContact O-N 3.43Å; C597-L599 PolarHBondContact O-N 3.46Å; L599-F603 PolarHBondContact O-N 2.89Å
600	N	84.8	Confident	86	Confident	7 Å²	7	47 Å²	47	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-75.7	-38.3	179	-77.6	-114.2	0	0	0	112	I596 C597 D598 F603 A604 F616 L653	I596-N600 PolarHBondContact O-N 3.28Å; I596-N600 PolarHBondContact O-ND2 3.11Å; C597-N600 WeakPolarHBondContact O-CA 3.14Å; C597-N600 PolarHBondContact O-N 3.17Å; D598-N600 VanDerWaalsContact C-N 3.29Å; D598-N600 PolarHBondContact O-N 2.99Å; N600-F603 PolarHBondContact O-N 2.63Å; N600-A604 VanDerWaalsContact O-CB 3.3Å; N600-A604 WeakPolarHBondContact O-CB 3Å; N600-A604 PolarHBondContact O-N 3.33Å; N600-F616 HydrophobicContact CB-CB 4.2Å; N600-F616 HydrophobicContact CB-CD1 3.56Å; N600-F616 HydrophobicContact CB-CD2 3.5Å; N600-F616 VanDerWaalsContact CB-CD2 3.5Å; N600-F616 HydrophobicContact CB-CE1 3.68Å; N600-F616 HydrophobicContact CB-CE2 3.64Å; N600-F616 HydrophobicContact CB-CG 3.47Å; N600-F616 VanDerWaalsContact CB-CG 3.47Å; N600-F616 HydrophobicContact CB-CZ 3.73Å; N600-F616 WeakPolarHBondContact OD1-CE1 3.35Å; N600-F616 WeakPolarHBondContact OD1-CE2 3.45Å; N600-F616 WeakPolarHBondContact OD1-CZ 3.4Å; N600-L653 HydrophobicContact CB-CD1 3.92Å; N600-L653 VanDerWaalsContact OD1-CD1 3.27Å; N600-L653 WeakPolarHBondContact OD1-CD1 3.31Å
601	I	87.7	Confident	85.7	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-49.2	173.7	-65	164.1	0	0	0	110	C597 D598 F603 A604 K605 F616 E617 R620	C597-I601 VanDerWaalsContact O-CG1 3.23Å; C597-I601 WeakPolarHBondContact O-CG1 3.35Å; C597-I601 PolarHBondContact O-N 3.13Å; D598-I601 PolarHBondContact O-N 3.34Å; I601-F603 VanDerWaalsContact C-N 3.34Å; I601-F603 PolarHBondContact O-N 2.87Å; I601-A604 PolarHBondContact O-N 2.92Å; I601-K605 HydrophobicContact CG2-CD 3.95Å; I601-K605 VanDerWaalsContact CG2-CE 3.49Å; I601-K605 WeakPolarHBondContact O-CG 3.08Å; I601-K605 PolarHBondContact O-N 3Å; I601-F616 HydrophobicContact CD1-CB 4.36Å; I601-F616 HydrophobicContact CG1-CB 3.56Å; I601-E617 HydrophobicContact CD1-CB 4.37Å; I601-E617 HydrophobicContact CD1-CG 3.58Å; I601-E617 HydrophobicContact CG1-CG 3.81Å; I601-E617 HydrophobicContact CG2-CG 3.98Å; I601-R620 HydrophobicContact CD1-CB 4.38Å
602	E	82.6	Confident	85.3	Confident	87 Å²	87	52.8 Å²	52.8	41%	0.407	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-35.9	-179	-89.8	-57.3	106.3	0	0	113.6	D598 R606	D598-E602 WeakPolarHBondContact O-CB 3.2Å; D598-E602 PolarHBondContact O-N 3.02Å; E602-R606 VanDerWaalsContact O-CG 3.31Å; E602-R606 WeakPolarHBondContact O-CG 3.41Å; E602-R606 PolarHBondContact O-N 3.28Å; E602-R606 PolarHBondContact O-NE 3.44Å; E602-R606 IonicContact OE2-CZ 2.82Å; E602-R606 IonicContact OE2-NE 2.68Å; E602-R606 IonicContact OE2-NH2 3.81Å; E602-R606 PolarHBondContact OE2-NH2 3.26Å
603	F	79.6	Confident	85.4	Confident	57 Å²	57	50.4 Å²	50.4	25%	0.25	27%	0.272	C	S	.	.	H	α-helix	trans	-70.3	-48.3	171.9	177.7	-90.5	0	0	0	111.7	L599 N600 I601 K605 R606 T607 L653 S655	L599-F603 PolarHBondContact O-N 2.89Å; N600-F603 PolarHBondContact O-N 2.63Å; I601-F603 VanDerWaalsContact C-N 3.34Å; I601-F603 PolarHBondContact O-N 2.87Å; F603-K605 VanDerWaalsContact C-N 3.27Å; F603-K605 PolarHBondContact O-N 2.85Å; F603-R606 PolarHBondContact O-N 2.95Å; F603-T607 WeakPolarHBondContact CE1-OG1 3.44Å; F603-T607 WeakPolarHBondContact CZ-OG1 3.44Å; F603-T607 PolarHBondContact O-N 2.9Å; F603-T607 PolarHBondContact O-OG1 2.93Å; F603-L653 HydrophobicContact CB-CD1 3.74Å; F603-L653 HydrophobicContact CD1-CD1 3.5Å; F603-L653 VanDerWaalsContact CD1-CD1 3.5Å; F603-L653 HydrophobicContact CD1-CD2 3.48Å; F603-L653 VanDerWaalsContact CD1-CD2 3.48Å; F603-L653 HydrophobicContact CD1-CG 4.14Å; F603-L653 HydrophobicContact CD2-CD2 4.01Å; F603-L653 HydrophobicContact CE1-CD1 4.27Å; F603-L653 HydrophobicContact CE1-CD2 3.48Å; F603-L653 VanDerWaalsContact CE1-CD2 3.48Å; F603-L653 HydrophobicContact CE2-CD2 4Å; F603-L653 HydrophobicContact CG-CD1 3.73Å; F603-L653 HydrophobicContact CG-CD2 3.75Å; F603-L653 HydrophobicContact CG-CG 4.23Å; F603-L653 HydrophobicContact CZ-CD2 3.74Å; F603-S655 WeakPolarHBondContact CD2-OG 3.41Å
604	A	84.1	Confident	85.4	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.5	-41.2	-178.6	0	0	0	0	0	111.8	N600 I601 R606 T607 G608 D609 Q612 C613	N600-A604 VanDerWaalsContact O-CB 3.3Å; N600-A604 WeakPolarHBondContact O-CB 3Å; N600-A604 PolarHBondContact O-N 3.33Å; I601-A604 PolarHBondContact O-N 2.92Å; A604-R606 PolarHBondContact O-N 3.24Å; A604-T607 PolarHBondContact O-N 2.98Å; A604-G608 PolarHBondContact O-N 3.46Å; A604-D609 PolarHBondContact O-N 3.45Å; A604-Q612 HydrophobicContact CB-CB 3.93Å; A604-C613 HydrophobicContact CB-CB 3.87Å
605	K	86.9	Confident	85.2	Confident	109 Å²	109	59.4 Å²	59.4	47%	0.474	31%	0.312	S	S	.	.	H	α-helix	trans	-58.7	-42	172.7	-74.3	176.3	-179.4	172.8	0	112.7	I601 F603 C613 E617	I601-K605 HydrophobicContact CG2-CD 3.95Å; I601-K605 VanDerWaalsContact CG2-CE 3.49Å; I601-K605 WeakPolarHBondContact O-CG 3.08Å; I601-K605 PolarHBondContact O-N 3Å; F603-K605 VanDerWaalsContact C-N 3.27Å; F603-K605 PolarHBondContact O-N 2.85Å; K605-C613 WeakPolarHBondContact CE-SG 3.45Å; K605-E617 WeakPolarHBondContact CE-OE1 3.45Å; K605-E617 IonicContact NZ-OE1 3.72Å; K605-E617 PolarHBondContact NZ-OE1 3.1Å
606	R	79.8	Confident	85.4	Confident	128 Å²	128	56.4 Å²	56.4	48%	0.483	30%	0.297	S	S	.	.	H	α-helix	trans	-75.5	-30.6	178.8	-65.5	173.7	-150.2	132.3	0.5	113.8	E602 F603 A604	E602-R606 VanDerWaalsContact O-CG 3.31Å; E602-R606 WeakPolarHBondContact O-CG 3.41Å; E602-R606 PolarHBondContact O-N 3.28Å; E602-R606 PolarHBondContact O-NE 3.44Å; E602-R606 IonicContact OE2-CZ 2.82Å; E602-R606 IonicContact OE2-NE 2.68Å; E602-R606 IonicContact OE2-NH2 3.81Å; E602-R606 PolarHBondContact OE2-NH2 3.26Å; F603-R606 PolarHBondContact O-N 2.95Å; A604-R606 PolarHBondContact O-N 3.24Å
607	T	80.2	Confident	85.7	Confident	89 Å²	89	58.1 Å²	58.1	55%	0.546	31%	0.305	S	S	.	.	H	α-helix	trans	-81.7	-16.3	175.5	-54.7	0	0	0	0	112.5	F603 A604	F603-T607 WeakPolarHBondContact CE1-OG1 3.44Å; F603-T607 WeakPolarHBondContact CZ-OG1 3.44Å; F603-T607 PolarHBondContact O-N 2.9Å; F603-T607 PolarHBondContact O-OG1 2.93Å; A604-T607 PolarHBondContact O-N 2.98Å
608	G	83.7	Confident	85.7	Confident	56 Å²	56	62 Å²	62	58%	0.577	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	15.8	-175.3	0	0	0	0	0	113.8	A604 T610	A604-G608 PolarHBondContact O-N 3.46Å; G608-T610 PolarHBondContact O-N 2.95Å; G608-T610 VanDerWaalsContact O-N 3.17Å
609	D	83.8	Confident	85.8	Confident	45 Å²	45	60.5 Å²	60.5	24%	0.241	32%	0.318	C	S	.	.			trans	-85.3	86.6	176.9	-166.9	-28.6	0	0	0	110.3	A604 S611 Q612 C613	A604-D609 PolarHBondContact O-N 3.45Å; D609-S611 PolarHBondContact O-N 3.24Å; D609-S611 WeakPolarHBondContact OD1-CA 3.25Å; D609-S611 WeakPolarHBondContact OD1-CB 3.43Å; D609-S611 PolarHBondContact OD1-N 3.25Å; D609-S611 PolarHBondContact OD1-OG 3.43Å; D609-Q612 HydrophobicContact CB-CB 4.27Å; D609-Q612 PolarHBondContact O-N 3.39Å; D609-Q612 PolarHBondContact OD1-N 3.02Å; D609-Q612 WeakPolarHBondContact OD2-CG 3.46Å; D609-Q612 PolarHBondContact OD2-NE2 3.06Å; D609-C613 WeakPolarHBondContact O-CB 2.95Å; D609-C613 PolarHBondContact O-N 3.44Å
610	T	87.6	Confident	86.2	Confident	107 Å²	107	59.1 Å²	59.1	66%	0.656	31%	0.306	S	S	*	.	H	α-helix	trans	-63.2	-23.2	176.7	55	0	0	0	0	113	G608 K614	G608-T610 PolarHBondContact O-N 2.95Å; G608-T610 VanDerWaalsContact O-N 3.17Å; T610-K614 WeakPolarHBondContact O-CG 3.49Å; T610-K614 PolarHBondContact O-N 3.44Å; T610-K614 VanDerWaalsContact O-N 3.07Å
611	S	86.9	Confident	86.5	Confident	82 Å²	82	63.7 Å²	63.7	57%	0.573	33%	0.33	S	S	*	.	H	α-helix	trans	-75.2	-46.3	-179.8	76.9	0	0	0	0	111.6	D609 C613 F615	D609-S611 PolarHBondContact O-N 3.24Å; D609-S611 WeakPolarHBondContact OD1-CA 3.25Å; D609-S611 WeakPolarHBondContact OD1-CB 3.43Å; D609-S611 PolarHBondContact OD1-N 3.25Å; D609-S611 PolarHBondContact OD1-OG 3.43Å; S611-C613 VanDerWaalsContact C-N 3.35Å; S611-F615 WeakPolarHBondContact O-CB 3.41Å; S611-F615 PolarHBondContact O-N 3.05Å
612	Q	83.1	Confident	86.6	Confident	51 Å²	51	64.4 Å²	64.4	24%	0.238	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-41.1	171.5	-73.3	-174.8	60.8	0	0	111	A604 D609 K614 F615 F616	A604-Q612 HydrophobicContact CB-CB 3.93Å; D609-Q612 HydrophobicContact CB-CB 4.27Å; D609-Q612 PolarHBondContact O-N 3.39Å; D609-Q612 PolarHBondContact OD1-N 3.02Å; D609-Q612 WeakPolarHBondContact OD2-CG 3.46Å; D609-Q612 PolarHBondContact OD2-NE2 3.06Å; Q612-K614 PolarHBondContact O-N 3.09Å; Q612-F615 PolarHBondContact O-N 3.41Å; Q612-F615 VanDerWaalsContact O-N 3.16Å; Q612-F616 HydrophobicContact CB-CD2 4.32Å; Q612-F616 HydrophobicContact CB-CE2 4.37Å; Q612-F616 WeakPolarHBondContact O-CD2 3.31Å; Q612-F616 PolarHBondContact O-N 2.72Å
613	C	87.3	Confident	87.1	Confident	13 Å²	13	60.4 Å²	60.4	9%	0.088	32%	0.316	C	S	.	.	H	α-helix	trans	-55.3	-54.6	178.1	-171.6	0	0	0	0	111.6	A604 K605 D609 S611 F615 F616 E617	A604-C613 HydrophobicContact CB-CB 3.87Å; K605-C613 WeakPolarHBondContact CE-SG 3.45Å; D609-C613 WeakPolarHBondContact O-CB 2.95Å; D609-C613 PolarHBondContact O-N 3.44Å; S611-C613 VanDerWaalsContact C-N 3.35Å; C613-F615 VanDerWaalsContact C-N 3.33Å; C613-F615 PolarHBondContact O-N 3.02Å; C613-F616 PolarHBondContact O-N 3.18Å; C613-E617 WeakPolarHBondContact O-CB 3.37Å; C613-E617 WeakPolarHBondContact O-CG 3.46Å; C613-E617 PolarHBondContact O-N 3.07Å
614	K	89.9	Confident	87.7	Confident	147 Å²	147	60.3 Å²	60.3	64%	0.639	32%	0.316	S	S	*	.	H	α-helix	trans	-61.1	-37.2	175.6	-73	-172.3	176.5	-166.7	0	112.8	T610 Q612 N618	T610-K614 WeakPolarHBondContact O-CG 3.49Å; T610-K614 PolarHBondContact O-N 3.44Å; T610-K614 VanDerWaalsContact O-N 3.07Å; Q612-K614 PolarHBondContact O-N 3.09Å; K614-N618 WeakPolarHBondContact O-CB 3.46Å; K614-N618 PolarHBondContact O-N 3.03Å; K614-N618 VanDerWaalsContact O-N 3.08Å; K614-N618 PolarHBondContact O-ND2 3.42Å
615	F	87.9	Confident	88	Confident	52 Å²	52	61 Å²	61	23%	0.228	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-48.2	176.6	171.3	-107.8	0	0	0	112.1	Y548 S611 Q612 C613 N618 L619 W648	Y548-F615 HydrophobicContact CD1-CE1 4.17Å; Y548-F615 AromaticContact CD1-CE2 3.86Å; Y548-F615 HydrophobicContact CD1-CE2 3.86Å; Y548-F615 AromaticContact CD1-CZ 3.5Å; Y548-F615 HydrophobicContact CD1-CZ 3.5Å; Y548-F615 VanDerWaalsContact CD1-CZ 3.5Å; Y548-F615 HydrophobicContact CD2-CZ 4.08Å; Y548-F615 HydrophobicContact CE1-CD2 4.19Å; Y548-F615 HydrophobicContact CE1-CE1 4.4Å; Y548-F615 AromaticContact CE1-CE2 3.26Å; Y548-F615 HydrophobicContact CE1-CE2 3.26Å; Y548-F615 AromaticContact CE1-CZ 3.38Å; Y548-F615 HydrophobicContact CE1-CZ 3.38Å; Y548-F615 HydrophobicContact CE2-CE2 4.26Å; Y548-F615 AromaticContact CE2-CZ 3.99Å; Y548-F615 HydrophobicContact CE2-CZ 3.99Å; Y548-F615 HydrophobicContact CG-CE1 4.47Å; Y548-F615 AromaticContact CG-CZ 3.84Å; Y548-F615 HydrophobicContact CG-CZ 3.84Å; Y548-F615 AromaticContact CZ-CE2 3.48Å; Y548-F615 VanDerWaalsContact CZ-CE2 3.48Å; Y548-F615 AromaticContact CZ-CZ 3.62Å; S611-F615 WeakPolarHBondContact O-CB 3.41Å; S611-F615 PolarHBondContact O-N 3.05Å; Q612-F615 PolarHBondContact O-N 3.41Å; Q612-F615 VanDerWaalsContact O-N 3.16Å; C613-F615 VanDerWaalsContact C-N 3.33Å; C613-F615 PolarHBondContact O-N 3.02Å; F615-N618 PolarHBondContact O-N 3.01Å; F615-L619 HydrophobicContact CE1-CD2 4.19Å; F615-L619 HydrophobicContact CZ-CD2 4.11Å; F615-L619 WeakPolarHBondContact O-CB 3.33Å; F615-L619 PolarHBondContact O-N 3Å; F615-W648 HydrophobicContact CZ-CZ3 4.2Å
616	F	90.2	Very high	88.3	Confident	3 Å²	3	56 Å²	56	1%	0.013	30%	0.302	C	S	.	.	H	α-helix	trans	-74.6	-31	-179.2	-73.3	-73	0	0	0	113.3	N600 I601 Q612 C613 L619 R620 F650	N600-F616 HydrophobicContact CB-CB 4.2Å; N600-F616 HydrophobicContact CB-CD1 3.56Å; N600-F616 HydrophobicContact CB-CD2 3.5Å; N600-F616 VanDerWaalsContact CB-CD2 3.5Å; N600-F616 HydrophobicContact CB-CE1 3.68Å; N600-F616 HydrophobicContact CB-CE2 3.64Å; N600-F616 HydrophobicContact CB-CG 3.47Å; N600-F616 VanDerWaalsContact CB-CG 3.47Å; N600-F616 HydrophobicContact CB-CZ 3.73Å; N600-F616 WeakPolarHBondContact OD1-CE1 3.35Å; N600-F616 WeakPolarHBondContact OD1-CE2 3.45Å; N600-F616 WeakPolarHBondContact OD1-CZ 3.4Å; I601-F616 HydrophobicContact CD1-CB 4.36Å; I601-F616 HydrophobicContact CG1-CB 3.56Å; Q612-F616 HydrophobicContact CB-CD2 4.32Å; Q612-F616 HydrophobicContact CB-CE2 4.37Å; Q612-F616 WeakPolarHBondContact O-CD2 3.31Å; Q612-F616 PolarHBondContact O-N 2.72Å; C613-F616 PolarHBondContact O-N 3.18Å; F616-L619 HydrophobicContact CD1-CD2 4.19Å; F616-L619 HydrophobicContact CE1-CD2 4.35Å; F616-L619 PolarHBondContact O-N 3.18Å; F616-R620 VanDerWaalsContact O-CB 3.23Å; F616-R620 WeakPolarHBondContact O-CB 3.43Å; F616-R620 PolarHBondContact O-N 3.36Å; F616-F650 AromaticContact CE1-CD1 3.55Å; F616-F650 HydrophobicContact CE1-CD1 3.55Å; F616-F650 AromaticContact CE1-CE1 3.78Å; F616-F650 HydrophobicContact CE1-CE1 3.78Å; F616-F650 AromaticContact CZ-CD1 3.8Å; F616-F650 HydrophobicContact CZ-CD1 3.8Å; F616-F650 HydrophobicContact CZ-CE1 4.41Å
617	E	92.1	Very high	88.9	Confident	50 Å²	50	50.2 Å²	50.2	23%	0.234	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-45.5	170.8	-77.9	169.1	160.3	0	0	111	I601 K605 C613 R620 L621	I601-E617 HydrophobicContact CD1-CB 4.37Å; I601-E617 HydrophobicContact CD1-CG 3.58Å; I601-E617 HydrophobicContact CG1-CG 3.81Å; I601-E617 HydrophobicContact CG2-CG 3.98Å; K605-E617 WeakPolarHBondContact CE-OE1 3.45Å; K605-E617 IonicContact NZ-OE1 3.72Å; K605-E617 PolarHBondContact NZ-OE1 3.1Å; C613-E617 WeakPolarHBondContact O-CB 3.37Å; C613-E617 WeakPolarHBondContact O-CG 3.46Å; C613-E617 PolarHBondContact O-N 3.07Å; E617-R620 PolarHBondContact O-N 3.42Å; E617-L621 WeakPolarHBondContact O-CG 3.41Å; E617-L621 PolarHBondContact O-N 3.26Å
618	N	89.6	Confident	89.4	Confident	81 Å²	81	49.6 Å²	49.6	43%	0.433	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-47.1	173.3	-84.3	-72.7	0	0	0	112.8	K614 F615 R620 L621 T622	K614-N618 WeakPolarHBondContact O-CB 3.46Å; K614-N618 PolarHBondContact O-N 3.03Å; K614-N618 VanDerWaalsContact O-N 3.08Å; K614-N618 PolarHBondContact O-ND2 3.42Å; F615-N618 PolarHBondContact O-N 3.01Å; N618-R620 VanDerWaalsContact C-N 3.31Å; N618-R620 PolarHBondContact O-N 2.84Å; N618-L621 WeakPolarHBondContact O-CB 3.38Å; N618-L621 PolarHBondContact O-N 2.87Å; N618-T622 PolarHBondContact O-N 2.87Å; N618-T622 VanDerWaalsContact O-N 3.11Å; N618-T622 PolarHBondContact O-OG1 2.83Å; N618-T622 VanDerWaalsContact O-OG1 3.1Å
619	L	90.4	Very high	89.7	Confident	9 Å²	9	49.8 Å²	49.8	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-37.9	179.9	-174.6	62.7	0	0	0	112	F615 F616 T622 C623 W648 F650 W811	F615-L619 HydrophobicContact CE1-CD2 4.19Å; F615-L619 HydrophobicContact CZ-CD2 4.11Å; F615-L619 WeakPolarHBondContact O-CB 3.33Å; F615-L619 PolarHBondContact O-N 3Å; F616-L619 HydrophobicContact CD1-CD2 4.19Å; F616-L619 HydrophobicContact CE1-CD2 4.35Å; F616-L619 PolarHBondContact O-N 3.18Å; L619-T622 WeakPolarHBondContact O-CB 3.14Å; L619-T622 PolarHBondContact O-N 2.66Å; L619-C623 PolarHBondContact O-N 3.47Å; L619-C623 PolarHBondContact O-SG 2.79Å; L619-W648 HydrophobicContact CD1-CH2 3.68Å; L619-W648 HydrophobicContact CD1-CZ3 3.62Å; L619-W648 HydrophobicContact CD2-CE3 4.44Å; L619-W648 HydrophobicContact CD2-CZ3 3.74Å; L619-W648 HydrophobicContact CG-CZ3 4.36Å; L619-F650 HydrophobicContact CD2-CE1 3.91Å; L619-F650 HydrophobicContact CD2-CZ 4.36Å; L619-W811 HydrophobicContact CD1-CZ2 4.22Å; L619-W811 HydrophobicContact CD2-CH2 4.26Å; L619-W811 HydrophobicContact CD2-CZ2 3.65Å; L619-W811 HydrophobicContact CG-CZ2 3.87Å
620	R	92.9	Very high	90.1	Very high	64 Å²	64	47.7 Å²	47.7	24%	0.242	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-42.6	174.5	-172.6	178.1	61.9	173.5	0.7	111.8	I594 C597 D598 I601 F616 E617 N618 C623 K624	I594-R620 HydrophobicContact CG2-CG 4.11Å; C597-R620 HydrophobicContact CB-CB 3.71Å; C597-R620 HydrophobicContact CB-CG 4.16Å; D598-R620 WeakPolarHBondContact OD1-CD 3.3Å; D598-R620 IonicContact OD1-CZ 3.57Å; D598-R620 IonicContact OD1-NE 3.3Å; D598-R620 IonicContact OD1-NH1 3.55Å; D598-R620 PolarHBondContact OD1-NH1 3.42Å; I601-R620 HydrophobicContact CD1-CB 4.38Å; F616-R620 VanDerWaalsContact O-CB 3.23Å; F616-R620 WeakPolarHBondContact O-CB 3.43Å; F616-R620 PolarHBondContact O-N 3.36Å; E617-R620 PolarHBondContact O-N 3.42Å; N618-R620 VanDerWaalsContact C-N 3.31Å; N618-R620 PolarHBondContact O-N 2.84Å; R620-C623 PolarHBondContact O-N 3.18Å; R620-K624 WeakPolarHBondContact O-CB 3.36Å; R620-K624 PolarHBondContact O-N 3.39Å
621	L	91	Very high	90.2	Very high	103 Å²	103	44 Å²	44	54%	0.539	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-42.1	176.4	-68.4	169.6	0	0	0	111.2	E617 N618 C623 K624 G625	E617-L621 WeakPolarHBondContact O-CG 3.41Å; E617-L621 PolarHBondContact O-N 3.26Å; N618-L621 WeakPolarHBondContact O-CB 3.38Å; N618-L621 PolarHBondContact O-N 2.87Å; L621-C623 PolarHBondContact O-N 3.19Å; L621-K624 PolarHBondContact O-N 3.29Å; L621-G625 PolarHBondContact O-N 3.39Å
622	T	90.1	Very high	90.4	Very high	19 Å²	19	45 Å²	45	12%	0.117	21%	0.212	C	C	.	.	H	α-helix	trans	-58	-47.5	173.4	-39.2	0	0	0	0	111.5	Y478 K482 Q485 N618 L619 G625 D626	Y478-T622 PolarHBondContact OH-O 3.18Å; K482-T622 HydrophobicContact CG-CG2 4.33Å; Q485-T622 PolarHBondContact OE1-OG1 2.67Å; N618-T622 PolarHBondContact O-N 2.87Å; N618-T622 VanDerWaalsContact O-N 3.11Å; N618-T622 PolarHBondContact O-OG1 2.83Å; N618-T622 VanDerWaalsContact O-OG1 3.1Å; L619-T622 WeakPolarHBondContact O-CB 3.14Å; L619-T622 PolarHBondContact O-N 2.66Å; T622-G625 PolarHBondContact O-N 3.37Å; T622-D626 PolarHBondContact O-N 3.46Å
623	C	92.3	Very high	90.6	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.027	20%	0.203	C	C	.	.	H	α-helix	trans	-69	-36.9	179.7	-69.1	0	0	0	0	113.4	Q593 I594 L619 R620 L621 D626 L627	Q593-C623 HydrophobicContact CB-CB 4.41Å; I594-C623 HydrophobicContact CG1-CB 3.71Å; L619-C623 PolarHBondContact O-N 3.47Å; L619-C623 PolarHBondContact O-SG 2.79Å; R620-C623 PolarHBondContact O-N 3.18Å; L621-C623 PolarHBondContact O-N 3.19Å; C623-D626 PolarHBondContact O-N 3.12Å; C623-L627 WeakPolarHBondContact O-CB 3.35Å; C623-L627 PolarHBondContact O-N 3.13Å
624	K	93	Very high	90.8	Very high	55 Å²	55	44.9 Å²	44.9	24%	0.239	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-46.5	171.3	-84.3	-168.3	170	-164.8	0	111.4	I594 R620 L621 D626 L627 I628	I594-K624 HydrophobicContact CD1-CG 3.96Å; I594-K624 HydrophobicContact CG1-CG 4.37Å; R620-K624 WeakPolarHBondContact O-CB 3.36Å; R620-K624 PolarHBondContact O-N 3.39Å; L621-K624 PolarHBondContact O-N 3.29Å; K624-D626 PolarHBondContact O-N 3.06Å; K624-L627 WeakPolarHBondContact O-CB 3.27Å; K624-L627 PolarHBondContact O-N 2.93Å; K624-I628 WeakPolarHBondContact O-CG1 3.24Å; K624-I628 PolarHBondContact O-N 2.92Å
625	G	89.9	Confident	90.8	Very high	14 Å²	14	44.7 Å²	44.7	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-39.5	177.5	0	0	0	0	0	113.1	Y478 L621 T622 I628 F629	Y478-G625 WeakPolarHBondContact OH-CA 3.36Å; L621-G625 PolarHBondContact O-N 3.39Å; T622-G625 PolarHBondContact O-N 3.37Å; G625-I628 PolarHBondContact O-N 3.03Å; G625-F629 WeakPolarHBondContact O-CB 3.49Å; G625-F629 PolarHBondContact O-N 3.33Å
626	D	92.6	Very high	90.9	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.027	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-35.8	174	-88.5	-11.5	0	0	0	112.4	Y478 K482 L590 T622 C623 K624 F629 V630 I814	Y478-D626 PolarHBondContact OH-N 3.07Å; K482-D626 IonicContact NZ-OD1 2.66Å; K482-D626 PolarHBondContact NZ-OD1 3.38Å; K482-D626 IonicContact NZ-OD2 2.72Å; K482-D626 PolarHBondContact NZ-OD2 2.9Å; L590-D626 HydrophobicContact CD1-CB 4.28Å; L590-D626 HydrophobicContact CD2-CB 3.61Å; T622-D626 PolarHBondContact O-N 3.46Å; C623-D626 PolarHBondContact O-N 3.12Å; K624-D626 PolarHBondContact O-N 3.06Å; D626-F629 PolarHBondContact O-N 2.67Å; D626-V630 WeakPolarHBondContact O-CB 3.15Å; D626-V630 VanDerWaalsContact O-CG2 3.28Å; D626-V630 WeakPolarHBondContact O-CG2 3.48Å; D626-V630 PolarHBondContact O-N 3.37Å; D626-I814 HydrophobicContact CB-CG1 3.95Å
627	L	92.7	Very high	90.7	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-47.5	173.9	-173.9	71.1	0	0	0	111.5	E11 L587 L590 I591 I594 C623 K624 V630 R631	E11-L627 WeakPolarHBondContact OE1-CD2 3.36Å; L587-L627 HydrophobicContact CB-CD1 4.39Å; L587-L627 HydrophobicContact CD2-CD1 3.6Å; L590-L627 HydrophobicContact CB-CB 4.28Å; L590-L627 HydrophobicContact CB-CD1 3.74Å; I591-L627 HydrophobicContact CD1-CD1 4.46Å; I591-L627 HydrophobicContact CG1-CD1 3.9Å; I591-L627 HydrophobicContact CG1-CD2 4.05Å; I594-L627 HydrophobicContact CD1-CB 4.32Å; I594-L627 HydrophobicContact CD1-CD2 3.79Å; C623-L627 WeakPolarHBondContact O-CB 3.35Å; C623-L627 PolarHBondContact O-N 3.13Å; K624-L627 WeakPolarHBondContact O-CB 3.27Å; K624-L627 PolarHBondContact O-N 2.93Å; L627-V630 PolarHBondContact O-N 2.89Å; L627-R631 PolarHBondContact O-N 2.66Å
628	I	90.7	Very high	90.4	Very high	75 Å²	75	55.7 Å²	55.7	39%	0.385	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-43.8	176.2	-66.3	164.3	0	0	0	110.5	V18 K624 G625 R631 R632	V18-I628 HydrophobicContact CG1-CD1 4.37Å; K624-I628 WeakPolarHBondContact O-CG1 3.24Å; K624-I628 PolarHBondContact O-N 2.92Å; G625-I628 PolarHBondContact O-N 3.03Å; I628-R631 PolarHBondContact O-N 3.43Å; I628-R632 WeakPolarHBondContact O-CB 3.24Å; I628-R632 PolarHBondContact O-N 2.96Å
629	F	90.6	Very high	90.3	Very high	61 Å²	61	56.2 Å²	56.2	27%	0.268	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-45.7	177.3	174.9	-111.9	0	0	0	112.6	G625 D626 R632 A633 P641 I814 Q816	G625-F629 WeakPolarHBondContact O-CB 3.49Å; G625-F629 PolarHBondContact O-N 3.33Å; D626-F629 PolarHBondContact O-N 2.67Å; F629-R632 PolarHBondContact O-N 3.4Å; F629-A633 PolarHBondContact O-N 2.91Å; F629-P641 HydrophobicContact CD1-CG 4.47Å; F629-P641 HydrophobicContact CE1-CB 3.61Å; F629-P641 HydrophobicContact CE1-CG 3.94Å; F629-P641 HydrophobicContact CZ-CB 4.18Å; F629-I814 HydrophobicContact CD1-CG2 3.93Å; F629-I814 HydrophobicContact CE1-CG2 3.74Å; F629-Q816 HydrophobicContact CD1-CG 4.49Å; F629-Q816 HydrophobicContact CE1-CG 3.97Å; F629-Q816 HydrophobicContact CZ-CG 4.15Å
630	V	91.3	Very high	90	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-39.4	178	172.9	0	0	0	0	111.3	Y583 L586 L587 L590 D626 L627 Q634 P641 I814	Y583-V630 HydrophobicContact CD1-CG1 3.7Å; Y583-V630 HydrophobicContact CE1-CG1 4.07Å; Y583-V630 WeakPolarHBondContact CE1-O 3.1Å; L586-V630 HydrophobicContact CB-CG1 3.95Å; L586-V630 HydrophobicContact CD1-CG1 4.38Å; L587-V630 HydrophobicContact CD2-CB 4.02Å; L587-V630 HydrophobicContact CD2-CG1 3.61Å; L587-V630 HydrophobicContact CG-CG1 4.02Å; L590-V630 HydrophobicContact CD1-CB 4.2Å; L590-V630 HydrophobicContact CD1-CG2 3.79Å; D626-V630 WeakPolarHBondContact O-CB 3.15Å; D626-V630 VanDerWaalsContact O-CG2 3.28Å; D626-V630 WeakPolarHBondContact O-CG2 3.48Å; D626-V630 PolarHBondContact O-N 3.37Å; L627-V630 PolarHBondContact O-N 2.89Å; V630-Q634 PolarHBondContact O-N 3.49Å; V630-P641 HydrophobicContact CG2-CG 4.02Å; V630-I814 HydrophobicContact CG2-CD1 4Å; V630-I814 HydrophobicContact CG2-CG1 4.08Å
631	R	90.4	Very high	89.8	Confident	29 Å²	29	55.2 Å²	55.2	11%	0.109	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-45.5	172.2	-76.9	-148.2	-169.5	86.5	14.4	112.9	E11 L587 L627 I628 A633 Q634 K635	E11-R631 IonicContact OE1-CZ 2.62Å; E11-R631 IonicContact OE1-NH1 2.76Å; E11-R631 PolarHBondContact OE1-NH1 3.18Å; E11-R631 IonicContact OE1-NH2 2.68Å; E11-R631 PolarHBondContact OE1-NH2 3.13Å; E11-R631 IonicContact OE2-CZ 3.18Å; E11-R631 IonicContact OE2-NE 2.67Å; E11-R631 IonicContact OE2-NH1 2.66Å; E11-R631 PolarHBondContact OE2-NH1 3.48Å; E11-R631 IonicContact OE2-NH2 2.67Å; E11-R631 PolarHBondContact OE2-NH2 2.77Å; L587-R631 HydrophobicContact CD1-CG 4.2Å; L587-R631 HydrophobicContact CD2-CG 3.58Å; L627-R631 PolarHBondContact O-N 2.66Å; I628-R631 PolarHBondContact O-N 3.43Å; R631-A633 VanDerWaalsContact C-N 3.29Å; R631-A633 PolarHBondContact O-N 2.86Å; R631-Q634 WeakPolarHBondContact O-CB 3.08Å; R631-Q634 PolarHBondContact O-N 3.15Å; R631-Q634 VanDerWaalsContact O-N 3.14Å; R631-K635 WeakPolarHBondContact O-CB 3.29Å; R631-K635 PolarHBondContact O-N 3.19Å
632	R	89.7	Confident	89.7	Confident	105 Å²	105	55.4 Å²	55.4	40%	0.396	27%	0.274	S	S	.	.	H	α-helix	trans	-57.4	-45.6	177.9	-177.9	173.7	176.6	165.8	1.3	110.7	S471 I628 F629 K635 L636	S471-R632 PolarHBondContact OG-NH2 2.9Å; I628-R632 WeakPolarHBondContact O-CB 3.24Å; I628-R632 PolarHBondContact O-N 2.96Å; F629-R632 PolarHBondContact O-N 3.4Å; R632-K635 PolarHBondContact O-N 2.97Å; R632-L636 HydrophobicContact CG-CD1 3.83Å; R632-L636 HydrophobicContact CG-CG 4.4Å; R632-L636 WeakPolarHBondContact O-CB 3.48Å; R632-L636 VanDerWaalsContact O-CG 3.29Å; R632-L636 WeakPolarHBondContact O-CG 3.29Å; R632-L636 PolarHBondContact O-N 2.76Å
633	A	88.8	Confident	89.6	Confident	6 Å²	6	58.5 Å²	58.5	5%	0.05	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-44.4	175.1	0	0	0	0	0	112.1	Y583 F629 R631 K635 L636 E637 D638	Y583-A633 HydrophobicContact CE1-CB 4.06Å; Y583-A633 WeakPolarHBondContact OH-CB 3.3Å; F629-A633 PolarHBondContact O-N 2.91Å; R631-A633 VanDerWaalsContact C-N 3.29Å; R631-A633 PolarHBondContact O-N 2.86Å; A633-K635 VanDerWaalsContact C-N 3.31Å; A633-K635 PolarHBondContact O-N 3.05Å; A633-L636 PolarHBondContact O-N 3.46Å; A633-E637 PolarHBondContact O-N 2.92Å; A633-D638 HydrophobicContact CB-CB 3.99Å; A633-D638 WeakPolarHBondContact O-CB 3.32Å; A633-D638 PolarHBondContact O-N 3.24Å
634	Q	90.3	Very high	89.4	Confident	55 Å²	55	62.5 Å²	62.5	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-58	-43.9	176	-168	-177.6	16.9	0	0	112.2	R579 Y583 V630 R631 E637	R579-Q634 PolarHBondContact NH1-O 3.31Å; Y583-Q634 HydrophobicContact CD1-CB 3.67Å; Y583-Q634 HydrophobicContact CD1-CG 4.1Å; Y583-Q634 HydrophobicContact CD2-CB 4.23Å; Y583-Q634 HydrophobicContact CD2-CG 3.96Å; Y583-Q634 HydrophobicContact CE1-CB 3.83Å; Y583-Q634 HydrophobicContact CE2-CB 4.37Å; Y583-Q634 HydrophobicContact CE2-CG 4.45Å; Y583-Q634 HydrophobicContact CG-CB 3.9Å; Y583-Q634 HydrophobicContact CG-CG 3.78Å; V630-Q634 PolarHBondContact O-N 3.49Å; R631-Q634 WeakPolarHBondContact O-CB 3.08Å; R631-Q634 PolarHBondContact O-N 3.15Å; R631-Q634 VanDerWaalsContact O-N 3.14Å; Q634-E637 PolarHBondContact O-N 3.05Å
635	K	89.9	Confident	89.2	Confident	142 Å²	142	64.4 Å²	64.4	62%	0.617	31%	0.306	S	S	*	.	H	α-helix	trans	-73.7	-25.7	-176.6	-169.8	179.3	-171.5	179.2	0	113.8	E19 R631 R632 A633 E637	E19-K635 IonicContact OE1-NZ 3.54Å; E19-K635 PolarHBondContact OE1-NZ 3.17Å; E19-K635 IonicContact OE2-NZ 2.83Å; E19-K635 PolarHBondContact OE2-NZ 2.73Å; R631-K635 WeakPolarHBondContact O-CB 3.29Å; R631-K635 PolarHBondContact O-N 3.19Å; R632-K635 PolarHBondContact O-N 2.97Å; A633-K635 VanDerWaalsContact C-N 3.31Å; A633-K635 PolarHBondContact O-N 3.05Å; K635-E637 VanDerWaalsContact C-N 3.33Å
636	L	89.9	Confident	89	Confident	105 Å²	105	64.9 Å²	64.9	55%	0.55	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	1.4	172.4	-69.4	175	0	0	0	113.4	R632 A633 D638	R632-L636 HydrophobicContact CG-CD1 3.83Å; R632-L636 HydrophobicContact CG-CG 4.4Å; R632-L636 WeakPolarHBondContact O-CB 3.48Å; R632-L636 VanDerWaalsContact O-CG 3.29Å; R632-L636 WeakPolarHBondContact O-CG 3.29Å; R632-L636 PolarHBondContact O-N 2.76Å; A633-L636 PolarHBondContact O-N 3.46Å; L636-D638 WeakPolarHBondContact CB-OD2 2.84Å; L636-D638 PolarHBondContact O-N 3.08Å
637	E	86.3	Confident	88.4	Confident	162 Å²	162	65.2 Å²	65.2	76%	0.757	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	16.9	-172.4	-59.6	-165.3	164	0	0	115.5	R579 A633 Q634 K635	R579-E637 VanDerWaalsContact NH1-CA 3.33Å; A633-E637 PolarHBondContact O-N 2.92Å; Q634-E637 PolarHBondContact O-N 3.05Å; K635-E637 VanDerWaalsContact C-N 3.33Å
638	D	85.9	Confident	87.9	Confident	69 Å²	69	65.4 Å²	65.4	37%	0.369	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-57.2	161.6	177.8	-74.2	-44	0	0	0	112.9	R579 Y583 A633 L636	R579-D638 PolarHBondContact NH1-O 2.93Å; R579-D638 VanDerWaalsContact NH1-O 3.16Å; Y583-D638 PolarHBondContact OH-O 3.06Å; A633-D638 HydrophobicContact CB-CB 3.99Å; A633-D638 WeakPolarHBondContact O-CB 3.32Å; A633-D638 PolarHBondContact O-N 3.24Å; L636-D638 WeakPolarHBondContact CB-OD2 2.84Å; L636-D638 PolarHBondContact O-N 3.08Å
639	P	87.2	Confident	87.3	Confident	92 Å²	92	62.6 Å²	62.6	60%	0.597	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-65	144.1	164.7	28.2	-34.9	0	0	0	111	Y583	Y583-P639 VanDerWaalsContact OH-C 3.28Å; Y583-P639 PolarHBondContact OH-O 2.96Å
640	P	85.8	Confident	86.7	Confident	37 Å²	37	59.8 Å²	59.8	24%	0.24	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-53.8	131	175	-25.9	33.7	0	0	0	111.4	R579 I582 Y583	R579-P640 HydrophobicContact CG-CG 3.98Å; I582-P640 HydrophobicContact CB-CB 4.48Å; I582-P640 HydrophobicContact CB-CG 4.23Å; I582-P640 HydrophobicContact CD1-CG 4.34Å; I582-P640 HydrophobicContact CG2-CB 3.76Å; I582-P640 HydrophobicContact CG2-CG 4.05Å; Y583-P640 HydrophobicContact CD2-CG 4.13Å; Y583-P640 HydrophobicContact CE2-CB 4.32Å; Y583-P640 HydrophobicContact CE2-CG 3.73Å; Y583-P640 WeakPolarHBondContact OH-CA 3.5Å
641	P	87.6	Confident	85.9	Confident	16 Å²	16	61.6 Å²	61.6	10%	0.104	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-65.3	154.5	-176.2	27.7	-35.1	0	0	0	110.9	F629 V630 F643 I814	F629-P641 HydrophobicContact CD1-CG 4.47Å; F629-P641 HydrophobicContact CE1-CB 3.61Å; F629-P641 HydrophobicContact CE1-CG 3.94Å; F629-P641 HydrophobicContact CZ-CB 4.18Å; V630-P641 HydrophobicContact CG2-CG 4.02Å; P641-F643 WeakPolarHBondContact O-CD1 3.08Å; P641-F643 PolarHBondContact O-N 3.09Å; P641-I814 HydrophobicContact CB-CG2 3.81Å; P641-I814 HydrophobicContact CG-CG2 3.86Å
642	K	88.1	Confident	84.7	Confident	107 Å²	107	61.2 Å²	61.2	47%	0.465	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-62.6	134.6	176.8	-70.1	159.3	-170.4	158.2	0	109.3	D815 E819	K642-D815 HydrophobicContact CB-CB 4.39Å; K642-D815 PolarHBondContact O-N 2.63Å; K642-E819 WeakPolarHBondContact CE-OE1 3.49Å; K642-E819 IonicContact NZ-OE1 2.72Å; K642-E819 PolarHBondContact NZ-OE1 3.34Å
643	F	89.4	Confident	83.4	Confident	83 Å²	83	57.8 Å²	57.8	36%	0.364	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159.9	-177.3	69.7	-93	0	0	0	111.3	I582 L586 P641 Y645 L812 I813 I814	I582-F643 HydrophobicContact CG2-CE1 4.07Å; L586-F643 HydrophobicContact CD1-CD1 4.14Å; L586-F643 HydrophobicContact CD1-CE1 4.36Å; L586-F643 HydrophobicContact CD2-CB 4.27Å; L586-F643 HydrophobicContact CD2-CD1 3.72Å; L586-F643 HydrophobicContact CD2-CD2 3.98Å; L586-F643 HydrophobicContact CD2-CE1 3.99Å; L586-F643 HydrophobicContact CD2-CE2 4.24Å; L586-F643 HydrophobicContact CD2-CG 3.73Å; L586-F643 HydrophobicContact CD2-CZ 4.25Å; P641-F643 WeakPolarHBondContact O-CD1 3.08Å; P641-F643 PolarHBondContact O-N 3.09Å; F643-Y645 HydrophobicContact CD2-CE2 4.25Å; F643-Y645 AromaticContact CE2-CE2 3.92Å; F643-Y645 HydrophobicContact CE2-CE2 3.92Å; F643-L812 HydrophobicContact CB-CD1 3.79Å; F643-L812 HydrophobicContact CD2-CD1 3.59Å; F643-L812 HydrophobicContact CG-CD1 3.96Å; F643-I813 VanDerWaalsContact CA-O 3.29Å; F643-I813 WeakPolarHBondContact CA-O 3.39Å; F643-I814 HydrophobicContact CB-CD1 3.89Å
644	R	88.2	Confident	82.2	Confident	88 Å²	88	58.9 Å²	58.9	33%	0.332	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.1	174.1	59.6	-170.4	170	86.4	16.2	110.7	E646 I813 D815	R644-E646 IonicContact CZ-OE1 3.61Å; R644-E646 IonicContact NH1-OE1 3.89Å; R644-E646 PolarHBondContact NH1-OE1 3.31Å; R644-E646 IonicContact NH2-OE1 3.66Å; R644-I813 PolarHBondContact N-O 2.76Å; R644-I813 PolarHBondContact O-N 3.41Å; R644-D815 WeakPolarHBondContact CD-OD2 3.5Å; R644-D815 WeakPolarHBondContact CG-OD2 3.39Å; R644-D815 IonicContact CZ-OD1 2.74Å; R644-D815 VanDerWaalsContact NE-CG 3.27Å; R644-D815 IonicContact NE-OD1 3.48Å; R644-D815 PolarHBondContact NE-OD1 3.04Å; R644-D815 IonicContact NE-OD2 3.87Å; R644-D815 PolarHBondContact NE-OD2 3.12Å; R644-D815 IonicContact NH2-OD1 3.57Å; R644-D815 PolarHBondContact NH2-OD1 2.85Å; R644-D815 VanDerWaalsContact NH2-OD1 3.14Å
645	Y	88.4	Confident	81.1	Confident	95 Å²	95	57.9 Å²	57.9	37%	0.373	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.7	170.5	-65.9	-82.3	0	0	0	110.2	D589 F643 Q810 W811 L812	D589-Y645 PolarHBondContact OD2-OH 3.19Å; F643-Y645 HydrophobicContact CD2-CE2 4.25Å; F643-Y645 AromaticContact CE2-CE2 3.92Å; F643-Y645 HydrophobicContact CE2-CE2 3.92Å; Y645-Q810 HydrophobicContact CD1-CB 3.91Å; Y645-Q810 HydrophobicContact CG-CB 4.36Å; Y645-W811 WeakPolarHBondContact CA-O 3.27Å; Y645-L812 HydrophobicContact CD1-CB 4.14Å; Y645-L812 HydrophobicContact CE1-CB 3.76Å; Y645-L812 HydrophobicContact CE1-CD1 4.04Å; Y645-L812 HydrophobicContact CE1-CG 4.43Å
646	E	85	Confident	80.4	Confident	25 Å²	25	52.6 Å²	52.6	12%	0.117	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.4	163.6	-73.7	-175.6	163.3	0	0	108.8	R490 I549 R644 W648 W811 I813	R490-E646 IonicContact NH2-OE1 2.63Å; R490-E646 PolarHBondContact NH2-OE1 3.02Å; I549-E646 WeakPolarHBondContact CD1-OE2 3.41Å; I549-E646 HydrophobicContact CG2-CB 4.39Å; R644-E646 IonicContact CZ-OE1 3.61Å; R644-E646 IonicContact NH1-OE1 3.89Å; R644-E646 PolarHBondContact NH1-OE1 3.31Å; R644-E646 IonicContact NH2-OE1 3.66Å; E646-W648 PolarHBondContact O-N 3.04Å; E646-W648 PolarHBondContact OE2-NE1 2.67Å; E646-W811 PolarHBondContact N-O 3Å; E646-W811 PolarHBondContact O-N 2.91Å; E646-I813 HydrophobicContact CB-CD1 4.23Å; E646-I813 HydrophobicContact CG-CD1 3.94Å; E646-I813 WeakPolarHBondContact OE2-CD1 3.41Å
647	S	80	Confident	79.6	Confident	11 Å²	11	50.1 Å²	50.1	8%	0.077	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	109.9	174.3	-53.6	0	0	0	0	110	V550 S552 R809 Q810	V550-S647 PolarHBondContact N-O 3.02Å; V550-S647 WeakPolarHBondContact O-CB 3.46Å; S552-S647 VanDerWaalsContact CB-OG 3.29Å; S552-S647 WeakPolarHBondContact CB-OG 3.13Å; S552-S647 VanDerWaalsContact OG-CB 3.32Å; S552-S647 WeakPolarHBondContact OG-CB 3.36Å; S552-S647 PolarHBondContact OG-OG 3.48Å; S647-R809 CarbonylContact C-O 3.51Å; S647-Q810 PolarHBondContact OG-NE2 2.91Å; S647-Q810 PolarHBondContact OG-OE1 2.9Å
648	W	82.9	Confident	79.2	Confident	10 Å²	10	48 Å²	48	4%	0.038	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	148.6	179.2	-74	33.4	0	0	0	111.4	Y548 I549 F615 L619 E646 F650 F808 R809 W811 I813	Y548-W648 AromaticContact CD2-CD2 3.69Å; Y548-W648 HydrophobicContact CD2-CD2 3.69Å; Y548-W648 AromaticContact CD2-CE3 3.29Å; Y548-W648 HydrophobicContact CD2-CE3 3.29Å; Y548-W648 HydrophobicContact CD2-CG 4.44Å; Y548-W648 HydrophobicContact CD2-CH2 4Å; Y548-W648 HydrophobicContact CD2-CZ2 4.3Å; Y548-W648 AromaticContact CD2-CZ3 3.48Å; Y548-W648 HydrophobicContact CD2-CZ3 3.48Å; Y548-W648 VanDerWaalsContact CD2-CZ3 3.48Å; Y548-W648 HydrophobicContact CE2-CD2 4.1Å; Y548-W648 AromaticContact CE2-CE3 3.69Å; Y548-W648 HydrophobicContact CE2-CE3 3.69Å; Y548-W648 AromaticContact CE2-CH2 3.46Å; Y548-W648 HydrophobicContact CE2-CH2 3.46Å; Y548-W648 VanDerWaalsContact CE2-CH2 3.46Å; Y548-W648 AromaticContact CE2-CZ2 3.84Å; Y548-W648 HydrophobicContact CE2-CZ2 3.84Å; Y548-W648 AromaticContact CE2-CZ3 3.36Å; Y548-W648 HydrophobicContact CE2-CZ3 3.36Å; Y548-W648 HydrophobicContact CG-CE3 4.27Å; Y548-W648 CarbonylContact O-C 3.49Å; Y548-W648 WeakPolarHBondContact O-CA 3.26Å; Y548-W648 WeakPolarHBondContact O-CB 3.39Å; I549-W648 HydrophobicContact CD1-CZ2 4.12Å; I549-W648 HydrophobicContact CG1-CD2 4.24Å; I549-W648 HydrophobicContact CG1-CG 4.35Å; I549-W648 HydrophobicContact CG1-CZ2 4.34Å; F615-W648 HydrophobicContact CZ-CZ3 4.2Å; L619-W648 HydrophobicContact CD1-CH2 3.68Å; L619-W648 HydrophobicContact CD1-CZ3 3.62Å; L619-W648 HydrophobicContact CD2-CE3 4.44Å; L619-W648 HydrophobicContact CD2-CZ3 3.74Å; L619-W648 HydrophobicContact CG-CZ3 4.36Å; E646-W648 PolarHBondContact O-N 3.04Å; E646-W648 PolarHBondContact OE2-NE1 2.67Å; W648-F650 HydrophobicContact CB-CD2 4.27Å; W648-F650 HydrophobicContact CB-CE2 3.57Å; W648-F650 HydrophobicContact CB-CZ 3.86Å; W648-F650 HydrophobicContact CD2-CZ 4.14Å; W648-F650 AromaticContact CE3-CE1 3.75Å; W648-F650 HydrophobicContact CE3-CE1 3.75Å; W648-F650 HydrophobicContact CE3-CE2 4.33Å; W648-F650 AromaticContact CE3-CZ 3.41Å; W648-F650 HydrophobicContact CE3-CZ 3.41Å; W648-F650 VanDerWaalsContact CE3-CZ 3.41Å; W648-F650 HydrophobicContact CG-CE2 4.49Å; W648-F650 HydrophobicContact CG-CZ 4.38Å; W648-F650 HydrophobicContact CZ3-CE1 4.37Å; W648-F650 HydrophobicContact CZ3-CZ 4.25Å; W648-F808 CarbonylContact O-C 3.4Å; W648-F808 VanDerWaalsContact O-CA 3.29Å; W648-F808 WeakPolarHBondContact O-CA 3.42Å; W648-R809 PolarHBondContact N-O 3.25Å; W648-R809 PolarHBondContact O-N 3.11Å; W648-W811 HydrophobicContact CB-CB 4.02Å; W648-W811 HydrophobicContact CD2-CB 3.86Å; W648-W811 AromaticContact CD2-CD1 3.93Å; W648-W811 HydrophobicContact CD2-CD2 4.47Å; W648-W811 AromaticContact CD2-CG 3.82Å; W648-W811 HydrophobicContact CD2-CG 3.82Å; W648-W811 AromaticContact CE2-CD1 3.81Å; W648-W811 HydrophobicContact CE3-CD2 4.35Å; W648-W811 HydrophobicContact CE3-CG 4.12Å; W648-W811 HydrophobicContact CG-CB 3.59Å; W648-W811 HydrophobicContact CG-CG 4.07Å; W648-W811 AromaticContact CZ2-CD1 3.86Å; W648-I813 HydrophobicContact CZ2-CD1 4.13Å
649	S	78.6	Confident	79.3	Confident	16 Å²	16	44.7 Å²	44.7	11%	0.112	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	101.1	179	172.3	0	0	0	0	108.9	Y548	Y548-S649 WeakPolarHBondContact CA-O 3.41Å; Y548-S649 WeakPolarHBondContact CB-O 3.39Å; Y548-S649 PolarHBondContact O-N 3.04Å
650	F	78.2	Confident	79.3	Confident	3 Å²	3	42.1 Å²	42.1	1%	0.013	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	154.2	176.9	-63.5	-76.5	0	0	0	111	F616 L619 W648 N806 V807 R809 W811	F616-F650 AromaticContact CE1-CD1 3.55Å; F616-F650 HydrophobicContact CE1-CD1 3.55Å; F616-F650 AromaticContact CE1-CE1 3.78Å; F616-F650 HydrophobicContact CE1-CE1 3.78Å; F616-F650 AromaticContact CZ-CD1 3.8Å; F616-F650 HydrophobicContact CZ-CD1 3.8Å; F616-F650 HydrophobicContact CZ-CE1 4.41Å; L619-F650 HydrophobicContact CD2-CE1 3.91Å; L619-F650 HydrophobicContact CD2-CZ 4.36Å; W648-F650 HydrophobicContact CB-CD2 4.27Å; W648-F650 HydrophobicContact CB-CE2 3.57Å; W648-F650 HydrophobicContact CB-CZ 3.86Å; W648-F650 HydrophobicContact CD2-CZ 4.14Å; W648-F650 AromaticContact CE3-CE1 3.75Å; W648-F650 HydrophobicContact CE3-CE1 3.75Å; W648-F650 HydrophobicContact CE3-CE2 4.33Å; W648-F650 AromaticContact CE3-CZ 3.41Å; W648-F650 HydrophobicContact CE3-CZ 3.41Å; W648-F650 VanDerWaalsContact CE3-CZ 3.41Å; W648-F650 HydrophobicContact CG-CE2 4.49Å; W648-F650 HydrophobicContact CG-CZ 4.38Å; W648-F650 HydrophobicContact CZ3-CE1 4.37Å; W648-F650 HydrophobicContact CZ3-CZ 4.25Å; F650-N806 CarbonylContact O-C 3.56Å; F650-N806 WeakPolarHBondContact O-CA 3.46Å; F650-N806 VanDerWaalsContact O-CB 3.3Å; F650-N806 WeakPolarHBondContact O-CB 3.24Å; F650-N806 PolarHBondContact O-OD1 3.12Å; F650-V807 PolarHBondContact N-O 2.83Å; F650-V807 PolarHBondContact O-N 3.2Å; F650-R809 HydrophobicContact CD2-CB 4.26Å; F650-R809 HydrophobicContact CD2-CG 4.28Å; F650-R809 HydrophobicContact CE2-CB 4.25Å; F650-W811 HydrophobicContact CE1-CH2 4.41Å; F650-W811 HydrophobicContact CE1-CZ3 4.3Å; F650-W811 HydrophobicContact CE2-CD2 4Å; F650-W811 AromaticContact CE2-CE3 3.3Å; F650-W811 HydrophobicContact CE2-CE3 3.3Å; F650-W811 HydrophobicContact CE2-CH2 4.38Å; F650-W811 AromaticContact CE2-CZ3 3.52Å; F650-W811 HydrophobicContact CE2-CZ3 3.52Å; F650-W811 AromaticContact CZ-CD2 3.62Å; F650-W811 HydrophobicContact CZ-CD2 3.62Å; F650-W811 AromaticContact CZ-CE3 3.28Å; F650-W811 HydrophobicContact CZ-CE3 3.28Å; F650-W811 HydrophobicContact CZ-CG 4.39Å; F650-W811 AromaticContact CZ-CH2 3.79Å; F650-W811 HydrophobicContact CZ-CH2 3.79Å; F650-W811 HydrophobicContact CZ-CZ2 4.12Å; F650-W811 AromaticContact CZ-CZ3 3.36Å; F650-W811 HydrophobicContact CZ-CZ3 3.36Å
651	P	72.7	Confident	79.3	Confident	37 Å²	37	42.4 Å²	42.4	24%	0.24	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	145.8	165.2	-21.1	33.4	0	0	0	110.8	L653 N806	P651-L653 HydrophobicContact CB-CD1 4.25Å; P651-L653 HydrophobicContact CB-CD2 3.92Å; P651-L653 HydrophobicContact CB-CG 3.9Å; P651-L653 PolarHBondContact O-N 2.96Å; P651-N806 WeakPolarHBondContact CA-OD1 3.27Å
652	S	66.5	Low	79.5	Confident	22 Å²	22	45.4 Å²	45.4	15%	0.154	24%	0.24	C	C	.	.			trans	-79.2	69.4	-174.7	-164.1	0	0	0	0	112.2	K654 S804 A805 V807	S652-K654 PolarHBondContact O-N 3.44Å; S652-K654 WeakPolarHBondContact OG-CE 3.25Å; S652-S804 WeakPolarHBondContact CB-O 3.44Å; S652-S804 PolarHBondContact OG-O 3.39Å; S652-S804 PolarHBondContact OG-OG 3.34Å; S652-A805 PolarHBondContact N-O 3.38Å; S652-V807 VanDerWaalsContact OG-CG2 3.31Å; S652-V807 WeakPolarHBondContact OG-CG2 3.46Å
653	L	62.3	Low	79.8	Confident	32 Å²	32	42.5 Å²	42.5	17%	0.168	23%	0.228	C	C	.	.			trans	-88.9	95	-173.1	-52.9	-168.8	0	0	0	109.7	N600 F603 P651	N600-L653 HydrophobicContact CB-CD1 3.92Å; N600-L653 VanDerWaalsContact OD1-CD1 3.27Å; N600-L653 WeakPolarHBondContact OD1-CD1 3.31Å; F603-L653 HydrophobicContact CB-CD1 3.74Å; F603-L653 HydrophobicContact CD1-CD1 3.5Å; F603-L653 VanDerWaalsContact CD1-CD1 3.5Å; F603-L653 HydrophobicContact CD1-CD2 3.48Å; F603-L653 VanDerWaalsContact CD1-CD2 3.48Å; F603-L653 HydrophobicContact CD1-CG 4.14Å; F603-L653 HydrophobicContact CD2-CD2 4.01Å; F603-L653 HydrophobicContact CE1-CD1 4.27Å; F603-L653 HydrophobicContact CE1-CD2 3.48Å; F603-L653 VanDerWaalsContact CE1-CD2 3.48Å; F603-L653 HydrophobicContact CE2-CD2 4Å; F603-L653 HydrophobicContact CG-CD1 3.73Å; F603-L653 HydrophobicContact CG-CD2 3.75Å; F603-L653 HydrophobicContact CG-CG 4.23Å; F603-L653 HydrophobicContact CZ-CD2 3.74Å; P651-L653 HydrophobicContact CB-CD1 4.25Å; P651-L653 HydrophobicContact CB-CD2 3.92Å; P651-L653 HydrophobicContact CB-CG 3.9Å; P651-L653 PolarHBondContact O-N 2.96Å
654	K	63.6	Low	80	Confident	30 Å²	30	38.5 Å²	38.5	13%	0.13	21%	0.21	C	C	.	.			trans	-121.4	15.1	-179.8	-51.2	-169.9	-173.9	-175.2	0	112.1	S652 F656 S769 E770 C771	S652-K654 PolarHBondContact O-N 3.44Å; S652-K654 WeakPolarHBondContact OG-CE 3.25Å; K654-F656 VanDerWaalsContact O-CD2 3.31Å; K654-F656 WeakPolarHBondContact O-CD2 3.44Å; K654-F656 PolarHBondContact O-N 2.62Å; K654-S769 PolarHBondContact NZ-O 3.19Å; K654-E770 IonicContact NZ-OE1 2.64Å; K654-E770 PolarHBondContact NZ-OE1 3.13Å; K654-E770 IonicContact NZ-OE2 3.76Å; K654-E770 PolarHBondContact NZ-OE2 3.05Å; K654-C771 HydrophobicContact CB-CB 3.78Å; K654-C771 WeakPolarHBondContact CB-SG 3.44Å; K654-C771 WeakPolarHBondContact O-CB 3.36Å; K654-C771 PolarHBondContact O-SG 3.42Å; K654-C771 VanDerWaalsContact O-SG 3.34Å
655	S	66	Low	80.4	Confident	34 Å²	34	35.2 Å²	35.2	24%	0.238	20%	0.199	C	C	.	.			trans	-81.8	112.7	-174	63.8	0	0	0	0	112.3	F603 P657 R797	F603-S655 WeakPolarHBondContact CD2-OG 3.41Å; S655-P657 VanDerWaalsContact O-CD 3.27Å; S655-P657 WeakPolarHBondContact O-CD 3.49Å; S655-R797 VanDerWaalsContact CA-O 3.25Å; S655-R797 WeakPolarHBondContact CA-O 2.93Å
656	F	75.3	Confident	80.8	Confident	30 Å²	30	30.7 Å²	30.7	13%	0.132	18%	0.181	C	C	.	.			trans	-96.2	97.2	176.1	-66.7	-81.9	0	0	0	110.3	K654 H658 I659 C771 E772 L795 I796 R797	K654-F656 VanDerWaalsContact O-CD2 3.31Å; K654-F656 WeakPolarHBondContact O-CD2 3.44Å; K654-F656 PolarHBondContact O-N 2.62Å; F656-H658 VanDerWaalsContact C-N 3.34Å; F656-H658 AromaticContact CD1-CE1 3.86Å; F656-H658 PolarHBondContact O-N 2.76Å; F656-I659 HydrophobicContact CB-CD1 3.74Å; F656-I659 HydrophobicContact CB-CG1 3.89Å; F656-I659 HydrophobicContact CG-CD1 4.34Å; F656-I659 PolarHBondContact O-N 3.01Å; F656-C771 HydrophobicContact CD2-CB 4Å; F656-C771 HydrophobicContact CE2-CB 3.94Å; F656-E772 HydrophobicContact CE2-CB 4.24Å; F656-E772 HydrophobicContact CZ-CB 4.31Å; F656-L795 HydrophobicContact CD2-CD2 4.35Å; F656-L795 HydrophobicContact CE1-CD2 4.17Å; F656-L795 HydrophobicContact CE2-CD2 3.79Å; F656-L795 HydrophobicContact CZ-CD2 3.69Å; F656-I796 WeakPolarHBondContact CD2-O 3.47Å; F656-R797 PolarHBondContact N-O 3.34Å; F656-R797 VanDerWaalsContact N-O 3.13Å
657	P	73	Confident	81.3	Confident	54 Å²	54	31.6 Å²	31.6	35%	0.351	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.3	-166.4	33.6	-41.3	0	0	0	114.1	S655 I659 R797	S655-P657 VanDerWaalsContact O-CD 3.27Å; S655-P657 WeakPolarHBondContact O-CD 3.49Å; P657-I659 PolarHBondContact O-N 3.34Å; P657-R797 PolarHBondContact O-NH1 2.68Å; P657-R797 VanDerWaalsContact O-NH1 3.12Å
658	H	78.9	Confident	82.1	Confident	116 Å²	116	31.1 Å²	31.1	54%	0.537	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.2	177.3	54.6	-102.8	0	0	0	112.5	F656	F656-H658 VanDerWaalsContact C-N 3.34Å; F656-H658 AromaticContact CD1-CE1 3.86Å; F656-H658 PolarHBondContact O-N 2.76Å
659	I	87.2	Confident	82.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-89.3	130	170.3	-43.5	-174.8	0	0	0	107.6	F656 P657 E663 E665 L795 R797	F656-I659 HydrophobicContact CB-CD1 3.74Å; F656-I659 HydrophobicContact CB-CG1 3.89Å; F656-I659 HydrophobicContact CG-CD1 4.34Å; F656-I659 PolarHBondContact O-N 3.01Å; P657-I659 PolarHBondContact O-N 3.34Å; I659-E663 HydrophobicContact CG2-CB 3.78Å; I659-E663 VanDerWaalsContact CG2-O 3.3Å; I659-E663 WeakPolarHBondContact CG2-O 3.38Å; I659-E665 HydrophobicContact CD1-CB 4.17Å; I659-E665 HydrophobicContact CD1-CG 4.36Å; I659-E665 HydrophobicContact CG1-CG 4.43Å; I659-L795 HydrophobicContact CD1-CB 3.43Å; I659-L795 VanDerWaalsContact CD1-CB 3.43Å; I659-L795 HydrophobicContact CD1-CD1 4.33Å; I659-R797 HydrophobicContact CB-CB 4.35Å; I659-R797 WeakPolarHBondContact O-CD 3.4Å; I659-R797 WeakPolarHBondContact O-CG 3.19Å; I659-R797 PolarHBondContact O-NH1 2.82Å
660	S	87.3	Confident	83.5	Confident	39 Å²	39	37.8 Å²	37.8	27%	0.273	21%	0.21	S	C	.	.			trans	-69.3	161.5	172.6	67.9	0	0	0	0	111	T662 E663	S660-T662 PolarHBondContact O-N 2.89Å; S660-T662 PolarHBondContact OG-OG1 2.68Å; S660-E663 WeakPolarHBondContact CB-OE2 3.38Å; S660-E663 PolarHBondContact N-OE2 2.79Å; S660-E663 PolarHBondContact O-N 2.9Å; S660-E663 WeakPolarHBondContact OG-CB 3.47Å; S660-E663 WeakPolarHBondContact OG-CG 3.32Å; S660-E663 PolarHBondContact OG-N 3.47Å; S660-E663 PolarHBondContact OG-OE2 2.95Å
661	G	86.5	Confident	84.3	Confident	42 Å²	42	37.6 Å²	37.6	43%	0.433	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-3.2	175.6	0	0	0	0	0	114.3	P726	G661-P726 WeakPolarHBondContact O-CD 3.45Å; G661-P726 WeakPolarHBondContact O-CG 3.46Å
662	T	91.9	Very high	85.4	Confident	80 Å²	80	37.7 Å²	37.7	49%	0.491	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	14.8	-177.1	45.7	0	0	0	0	112.5	S660 V723 I724	S660-T662 PolarHBondContact O-N 2.89Å; S660-T662 PolarHBondContact OG-OG1 2.68Å; T662-V723 WeakPolarHBondContact O-CA 3.43Å; T662-I724 VanDerWaalsContact C-CG1 3.42Å; T662-I724 CarbonylContact C-O 3.52Å; T662-I724 VanDerWaalsContact CA-O 3.3Å; T662-I724 WeakPolarHBondContact CA-O 3.28Å; T662-I724 PolarHBondContact O-N 2.87Å
663	E	94	Very high	86.5	Confident	45 Å²	45	41.8 Å²	41.8	21%	0.21	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.3	178	-75.1	167.4	142	0	0	112.9	I659 S660 K721 F722 I724	I659-E663 HydrophobicContact CG2-CB 3.78Å; I659-E663 VanDerWaalsContact CG2-O 3.3Å; I659-E663 WeakPolarHBondContact CG2-O 3.38Å; S660-E663 WeakPolarHBondContact CB-OE2 3.38Å; S660-E663 PolarHBondContact N-OE2 2.79Å; S660-E663 PolarHBondContact O-N 2.9Å; S660-E663 WeakPolarHBondContact OG-CB 3.47Å; S660-E663 WeakPolarHBondContact OG-CG 3.32Å; S660-E663 PolarHBondContact OG-N 3.47Å; S660-E663 PolarHBondContact OG-OE2 2.95Å; E663-K721 HydrophobicContact CG-CB 4.46Å; E663-K721 VanDerWaalsContact OE1-CD 3.31Å; E663-K721 WeakPolarHBondContact OE1-CD 3.42Å; E663-K721 IonicContact OE1-NZ 2.69Å; E663-K721 PolarHBondContact OE1-NZ 3.12Å; E663-K721 IonicContact OE2-NZ 2.94Å; E663-K721 PolarHBondContact OE2-NZ 2.95Å; E663-F722 CarbonylContact C-O 3.49Å; E663-F722 WeakPolarHBondContact CA-O 3.47Å; E663-I724 WeakPolarHBondContact O-CD1 3.21Å
664	M	94.6	Very high	88	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.2	165.6	178.5	177.1	69.8	0	0	108.2	V666 F693 F722 I724 M735 V740 L764 L767 L795 I796	M664-V666 HydrophobicContact CE-CG2 3.98Å; M664-V666 HydrophobicContact CG-CG2 4.25Å; M664-F693 HydrophobicContact CE-CD1 4.42Å; M664-F693 HydrophobicContact CE-CD2 3.69Å; M664-F693 HydrophobicContact CE-CE1 4.25Å; M664-F693 HydrophobicContact CE-CE2 3.53Å; M664-F693 HydrophobicContact CE-CG 4.17Å; M664-F693 HydrophobicContact CE-CZ 3.82Å; M664-F722 HydrophobicContact CE-CB 4.28Å; M664-F722 HydrophobicContact CE-CD2 3.95Å; M664-F722 HydrophobicContact CE-CG 4.49Å; M664-F722 PolarHBondContact N-O 3.23Å; M664-F722 PolarHBondContact O-N 3.07Å; M664-I724 HydrophobicContact CB-CD1 4.29Å; M664-I724 HydrophobicContact CB-CG2 3.76Å; M664-M735 HydrophobicContact SD-CE 4.2Å; M664-V740 HydrophobicContact CE-CG2 3.82Å; M664-L764 HydrophobicContact CE-CD1 4.26Å; M664-L764 HydrophobicContact SD-CD1 4.36Å; M664-L764 HydrophobicContact SD-CD2 4.15Å; M664-L767 HydrophobicContact SD-CD1 3.9Å; M664-L795 CarbonylContact C-O 3.35Å; M664-L795 VanDerWaalsContact CA-O 3.3Å; M664-L795 WeakPolarHBondContact CA-O 3.3Å; M664-L795 WeakPolarHBondContact CG-O 3.35Å; M664-I796 HydrophobicContact CB-CG2 3.79Å; M664-I796 HydrophobicContact CG-CG2 3.68Å; M664-I796 HydrophobicContact SD-CG2 4.36Å
665	E	95.1	Very high	89.2	Confident	18 Å²	18	44.8 Å²	44.8	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.1	176.9	-78.7	177.1	-151.2	0	0	110.4	I659 V719 H720 K721 A794 L795	I659-E665 HydrophobicContact CD1-CB 4.17Å; I659-E665 HydrophobicContact CD1-CG 4.36Å; I659-E665 HydrophobicContact CG1-CG 4.43Å; E665-V719 HydrophobicContact CB-CG1 4.21Å; E665-V719 HydrophobicContact CG-CG1 4.32Å; E665-H720 WeakPolarHBondContact CA-O 3.25Å; E665-K721 HydrophobicContact CG-CG 3.53Å; E665-K721 WeakPolarHBondContact OE1-CE 3.49Å; E665-K721 IonicContact OE1-NZ 3.38Å; E665-K721 PolarHBondContact OE1-NZ 3.18Å; E665-A794 CarbonylContact O-C 3.41Å; E665-A794 WeakPolarHBondContact O-CA 3.24Å; E665-L795 HydrophobicContact CB-CB 4.29Å; E665-L795 PolarHBondContact N-O 2.87Å; E665-L795 PolarHBondContact O-N 3.45Å
666	V	96.8	Very high	90.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.6	179.6	178.4	0	0	0	0	109.1	M664 L691 H720 F722 V740 F742 K793 A794	M664-V666 HydrophobicContact CE-CG2 3.98Å; M664-V666 HydrophobicContact CG-CG2 4.25Å; V666-L691 HydrophobicContact CB-CD2 4.39Å; V666-L691 HydrophobicContact CG1-CD2 3.85Å; V666-H720 PolarHBondContact N-O 3.4Å; V666-H720 PolarHBondContact O-N 3.49Å; V666-F722 HydrophobicContact CB-CD2 4.24Å; V666-F722 HydrophobicContact CB-CE2 4.1Å; V666-F722 HydrophobicContact CG2-CD2 3.66Å; V666-F722 HydrophobicContact CG2-CE2 3.85Å; V666-V740 HydrophobicContact CG2-CG2 4.24Å; V666-F742 HydrophobicContact CG1-CE1 3.87Å; V666-F742 HydrophobicContact CG1-CZ 3.7Å; V666-K793 CarbonylContact C-O 3.5Å; V666-K793 WeakPolarHBondContact CA-O 3.32Å; V666-A794 HydrophobicContact CG2-CB 4.29Å
667	H	96.9	Very high	91	Very high	45 Å²	45	44 Å²	44	21%	0.208	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.2	179.2	-59.9	-113.8	0	0	0	109.2	H718 V719 V792 K793 L795	H667-H718 CarbonylContact C-O 3.6Å; H667-H718 WeakPolarHBondContact CA-O 3.2Å; H667-V719 WeakPolarHBondContact ND1-CG2 3.25Å; H667-V792 VanDerWaalsContact O-CA 3.3Å; H667-V792 WeakPolarHBondContact O-CA 3.25Å; H667-K793 HydrophobicContact CB-CB 4.18Å; H667-K793 PolarHBondContact N-O 3.16Å; H667-K793 PolarHBondContact O-N 3.09Å; H667-L795 WeakPolarHBondContact NE2-CD1 3.12Å
668	V	96.9	Very high	91.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	100.2	162.6	-171.8	0	0	0	0	106.7	V689 L691 T705 F716 G717 H718 F742 L790	V668-V689 HydrophobicContact CG1-CB 4.31Å; V668-V689 HydrophobicContact CG1-CG2 4.09Å; V668-L691 HydrophobicContact CG2-CD1 4.04Å; V668-L691 HydrophobicContact CG2-CD2 3.88Å; V668-L691 HydrophobicContact CG2-CG 4.14Å; V668-T705 HydrophobicContact CB-CG2 4.01Å; V668-T705 HydrophobicContact CG1-CG2 4.17Å; V668-T705 HydrophobicContact CG2-CG2 3.94Å; V668-F716 HydrophobicContact CB-CB 4.43Å; V668-F716 HydrophobicContact CG1-CB 4.19Å; V668-F716 HydrophobicContact CG1-CD2 3.65Å; V668-F716 HydrophobicContact CG1-CE2 4.29Å; V668-F716 HydrophobicContact CG1-CG 4.1Å; V668-F716 WeakPolarHBondContact O-CB 3.31Å; V668-G717 PolarHBondContact O-N 2.82Å; V668-H718 PolarHBondContact N-O 2.8Å; V668-H718 PolarHBondContact O-N 3Å; V668-F742 HydrophobicContact CG2-CD1 4.29Å; V668-F742 HydrophobicContact CG2-CE1 4.02Å; V668-L790 HydrophobicContact CG1-CD1 4.14Å
669	C	94.7	Very high	91.7	Very high	38 Å²	38	45.4 Å²	45.4	26%	0.257	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-64.2	-172.2	-55.6	0	0	0	0	110.3	F716 G717 I791	C669-F716 PolarHBondContact O-N 2.88Å; C669-G717 PolarHBondContact O-N 3.44Å; C669-I791 HydrophobicContact CB-CB 4.5Å; C669-I791 HydrophobicContact CB-CG2 4.12Å; C669-I791 WeakPolarHBondContact CB-O 3.31Å; C669-I791 PolarHBondContact N-O 3Å
670	R	95.7	Very high	91.6	Very high	128 Å²	128	46.9 Å²	46.9	48%	0.483	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	158.3	179.5	63.4	-179.9	175	178.9	-2.2	112.4	V672 P714 V715 I791	R670-V672 HydrophobicContact CG-CG2 4.28Å; R670-P714 CarbonylContact C-O 3.55Å; R670-P714 WeakPolarHBondContact CA-O 3.16Å; R670-P714 WeakPolarHBondContact CB-O 3.35Å; R670-V715 HydrophobicContact CB-CB 4.43Å; R670-V715 HydrophobicContact CB-CG2 4.12Å; R670-I791 HydrophobicContact CG-CB 4.25Å; R670-I791 HydrophobicContact CG-CD1 3.94Å; R670-I791 PolarHBondContact O-N 2.89Å
671	A	95.4	Very high	91.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	154.9	158.9	0	0	0	0	0	110.6	V674 S713 P714 F716 L744 K789 L790	A671-V674 HydrophobicContact CB-CG2 3.56Å; A671-S713 CarbonylContact O-C 3.55Å; A671-S713 VanDerWaalsContact O-C 3.27Å; A671-S713 WeakPolarHBondContact O-CA 3.3Å; A671-P714 HydrophobicContact CB-CG 4.03Å; A671-P714 PolarHBondContact N-O 2.87Å; A671-F716 HydrophobicContact CB-CE2 4.03Å; A671-L744 HydrophobicContact CB-CD2 4.3Å; A671-K789 CarbonylContact C-O 3.58Å; A671-K789 VanDerWaalsContact CA-O 3.25Å; A671-K789 WeakPolarHBondContact CA-O 3.36Å; A671-L790 HydrophobicContact CB-CD1 3.88Å
672	V	94.4	Very high	91.4	Very high	39 Å²	39	51.4 Å²	51.4	24%	0.236	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.9	-176.3	-176.6	0	0	0	0	109.6	R670 V674 G788 K789 I791	R670-V672 HydrophobicContact CG-CG2 4.28Å; V672-V674 VanDerWaalsContact C-N 3.34Å; V672-V674 PolarHBondContact O-N 3.47Å; V672-G788 CarbonylContact O-C 3.58Å; V672-G788 VanDerWaalsContact O-CA 3.29Å; V672-G788 WeakPolarHBondContact O-CA 3.43Å; V672-K789 PolarHBondContact N-O 3.32Å; V672-K789 PolarHBondContact O-N 3.24Å; V672-I791 HydrophobicContact CG2-CD1 4.21Å
673	D	90.9	Very high	91.1	Very high	108 Å²	108	55.3 Å²	55.3	58%	0.578	29%	0.294	S	S	*	.	S	Bend	trans	52.9	44	174.3	-58.9	-28.3	0	0	0	114.3	Q675 S713 T787 G788	D673-Q675 PolarHBondContact O-N 3Å; D673-S713 PolarHBondContact N-OG 3Å; D673-T787 CarbonylContact O-C 3.13Å; D673-T787 VanDerWaalsContact O-O 3.11Å; D673-G788 WeakPolarHBondContact O-CA 3.47Å
674	V	92.9	Very high	90.8	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.024	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-71.6	120	-178.1	-177.2	0	0	0	0	110.7	A671 V672 L676 L687 T712 L744 L757	A671-V674 HydrophobicContact CB-CG2 3.56Å; V672-V674 VanDerWaalsContact C-N 3.34Å; V672-V674 PolarHBondContact O-N 3.47Å; V674-L676 PolarHBondContact O-N 3.43Å; V674-L687 HydrophobicContact CB-CD1 4.37Å; V674-L687 HydrophobicContact CG1-CD1 4.38Å; V674-T712 VanDerWaalsContact CB-O 3.24Å; V674-T712 WeakPolarHBondContact CB-O 3.3Å; V674-T712 VanDerWaalsContact CG2-O 3.31Å; V674-T712 WeakPolarHBondContact CG2-O 3.16Å; V674-T712 PolarHBondContact N-O 3.25Å; V674-L744 HydrophobicContact CB-CD2 4.23Å; V674-L744 HydrophobicContact CG1-CD2 3.51Å; V674-L744 HydrophobicContact CG2-CD2 3.6Å; V674-L757 HydrophobicContact CG1-CB 4.39Å; V674-L757 HydrophobicContact CG1-CD1 3.51Å
675	Q	89.8	Confident	90.6	Very high	120 Å²	120	58.7 Å²	58.7	56%	0.561	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-71.8	116.1	174	-172.7	166.1	59.2	0	0	111.8	D673 V786 T787	D673-Q675 PolarHBondContact O-N 3Å; Q675-V786 HydrophobicContact CB-CG1 4.44Å; Q675-T787 PolarHBondContact N-O 3.14Å
676	L	90.4	Very high	90.6	Very high	27 Å²	27	58.9 Å²	58.9	14%	0.141	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-73.6	157.5	176.3	-62.5	177.2	0	0	0	112.3	V674 E681 A685 L687 T712 L757	V674-L676 PolarHBondContact O-N 3.43Å; L676-E681 WeakPolarHBondContact CD1-O 3.49Å; L676-A685 HydrophobicContact CD1-CB 4.09Å; L676-A685 HydrophobicContact CD2-CB 4.05Å; L676-L687 HydrophobicContact CD2-CD2 4.01Å; L676-T712 HydrophobicContact CD1-CG2 3.77Å; L676-T712 HydrophobicContact CD2-CG2 4.44Å; L676-T712 HydrophobicContact CG-CG2 3.85Å; L676-L757 HydrophobicContact CD2-CD1 4.49Å
677	P	87.7	Confident	90.5	Very high	20 Å²	20	58.9 Å²	58.9	13%	0.13	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-66.6	151.6	175.9	-15.5	30.1	0	0	0	112	G679 Y680 Q746 K755 L757	P677-G679 PolarHBondContact O-N 3.5Å; P677-Y680 HydrophobicContact CB-CD2 3.96Å; P677-Y680 HydrophobicContact CB-CE2 4.27Å; P677-Y680 HydrophobicContact CG-CD2 4.11Å; P677-Y680 HydrophobicContact CG-CE2 4.28Å; P677-Y680 PolarHBondContact O-N 3.38Å; P677-Y680 VanDerWaalsContact O-N 3.08Å; P677-Q746 HydrophobicContact CG-CB 4.23Å; P677-Q746 HydrophobicContact CG-CG 4.45Å; P677-K755 HydrophobicContact CB-CD 3.51Å; P677-K755 HydrophobicContact CG-CB 3.99Å; P677-K755 HydrophobicContact CG-CD 3.64Å; P677-K755 HydrophobicContact CG-CG 4.44Å; P677-L757 HydrophobicContact CG-CD2 3.48Å; P677-L757 VanDerWaalsContact CG-CD2 3.48Å
678	T	85.4	Confident	90.5	Very high	142 Å²	142	58.9 Å²	58.9	87%	0.871	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	125.3	177	-27.6	0	0	0	0	111.7
679	G	81.9	Confident	90.5	Very high	58 Å²	58	58.9 Å²	58.9	60%	0.598	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	10.2	-177.5	0	0	0	0	0	115.9	P677	P677-G679 PolarHBondContact O-N 3.5Å
680	Y	85.3	Confident	90.6	Very high	31 Å²	31	59.2 Å²	59.2	12%	0.122	31%	0.31	C	S	.	.			trans	-111	133.2	165.7	-72.2	-97.5	0	0	0	110.4	P677 H684 Q746 R752	P677-Y680 HydrophobicContact CB-CD2 3.96Å; P677-Y680 HydrophobicContact CB-CE2 4.27Å; P677-Y680 HydrophobicContact CG-CD2 4.11Å; P677-Y680 HydrophobicContact CG-CE2 4.28Å; P677-Y680 PolarHBondContact O-N 3.38Å; P677-Y680 VanDerWaalsContact O-N 3.08Å; Y680-H684 HydrophobicContact CD1-CB 3.96Å; Y680-Q746 HydrophobicContact CD1-CG 4.26Å; Y680-Q746 HydrophobicContact CE1-CG 3.89Å; Y680-Q746 HydrophobicContact CE2-CG 4.33Å; Y680-R752 WeakPolarHBondContact OH-CB 3.44Å; Y680-R752 VanDerWaalsContact OH-CD 3.31Å; Y680-R752 WeakPolarHBondContact OH-CD 3.39Å
681	E	84.5	Confident	90.7	Very high	113 Å²	113	53.1 Å²	53.1	53%	0.528	29%	0.287	S	S	.	.			trans	-90.2	164.1	164.6	-64.8	-174.4	-172.3	0	0	110.3	L676 K683 H684 A685	L676-E681 WeakPolarHBondContact CD1-O 3.49Å; E681-K683 PolarHBondContact O-N 2.7Å; E681-K683 VanDerWaalsContact O-N 3.14Å; E681-H684 WeakPolarHBondContact O-CA 3.3Å; E681-H684 WeakPolarHBondContact O-CB 3.31Å; E681-H684 PolarHBondContact O-N 3.18Å; E681-A685 PolarHBondContact O-N 3.31Å
682	S	85.2	Confident	90.8	Very high	64 Å²	64	56 Å²	56	45%	0.448	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-53.6	-35.3	175.6	-45.6	0	0	0	0	113.2	H684 A685 G710	S682-H684 PolarHBondContact O-N 2.91Å; S682-A685 VanDerWaalsContact O-CB 3.25Å; S682-A685 WeakPolarHBondContact O-CB 3.32Å; S682-A685 PolarHBondContact O-N 2.91Å; S682-A685 VanDerWaalsContact O-N 3.14Å; S682-G710 CarbonylContact O-C 3.55Å; S682-G710 WeakPolarHBondContact O-CA 3.49Å
683	K	84.5	Confident	90.8	Very high	162 Å²	162	54.2 Å²	54.2	70%	0.704	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61.7	-21.3	174.2	-62.2	173.3	-175.9	163.8	0	114	E681	E681-K683 PolarHBondContact O-N 2.7Å; E681-K683 VanDerWaalsContact O-N 3.14Å
684	H	87.6	Confident	90.9	Very high	112 Å²	112	50.5 Å²	50.5	52%	0.519	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-105	5.2	-179.5	-57.5	-38.1	0	0	0	112.7	Y680 E681 S682 D686 Q746	Y680-H684 HydrophobicContact CD1-CB 3.96Å; E681-H684 WeakPolarHBondContact O-CA 3.3Å; E681-H684 WeakPolarHBondContact O-CB 3.31Å; E681-H684 PolarHBondContact O-N 3.18Å; S682-H684 PolarHBondContact O-N 2.91Å; H684-D686 PolarHBondContact O-N 3.45Å; H684-Q746 PolarHBondContact O-NE2 3.26Å
685	A	90.9	Very high	90.9	Very high	3 Å²	3	51.8 Å²	51.8	3%	0.025	28%	0.276	C	S	.	.			trans	-59	134	167.6	0	0	0	0	0	109.9	L676 E681 S682 L687 K709 G710 T711	L676-A685 HydrophobicContact CD1-CB 4.09Å; L676-A685 HydrophobicContact CD2-CB 4.05Å; E681-A685 PolarHBondContact O-N 3.31Å; S682-A685 VanDerWaalsContact O-CB 3.25Å; S682-A685 WeakPolarHBondContact O-CB 3.32Å; S682-A685 PolarHBondContact O-N 2.91Å; S682-A685 VanDerWaalsContact O-N 3.14Å; A685-L687 HydrophobicContact CB-CG 4.31Å; A685-K709 CarbonylContact O-C 3.58Å; A685-K709 VanDerWaalsContact O-CA 3.28Å; A685-K709 WeakPolarHBondContact O-CA 3.3Å; A685-G710 PolarHBondContact O-N 2.94Å; A685-T711 WeakPolarHBondContact CB-O 3.21Å
686	D	94.4	Very high	90.9	Very high	22 Å²	22	48.7 Å²	48.7	12%	0.118	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	88.1	167.2	-171.3	-3.7	0	0	0	105.5	H684 S707 V708 K709 K747	H684-D686 PolarHBondContact O-N 3.45Å; D686-S707 VanDerWaalsContact OD1-CB 3.3Å; D686-S707 WeakPolarHBondContact OD1-CB 3.35Å; D686-S707 PolarHBondContact OD1-OG 2.85Å; D686-V708 WeakPolarHBondContact CA-O 3.36Å; D686-K709 HydrophobicContact CB-CG 4Å; D686-K709 WeakPolarHBondContact OD1-CG 3.35Å; D686-K709 WeakPolarHBondContact OD2-CE 3.25Å; D686-K747 HydrophobicContact CB-CB 4.09Å; D686-K747 WeakPolarHBondContact O-CB 3.46Å; D686-K747 PolarHBondContact O-N 3.01Å; D686-K747 IonicContact OD2-NZ 3.14Å
687	L	95.4	Very high	90.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.7	-163.9	-62.4	-177.9	0	0	0	111.1	V674 L676 A685 S707 V708 T711 P714 F716 L744 Y745 Q746 L757	V674-L687 HydrophobicContact CB-CD1 4.37Å; V674-L687 HydrophobicContact CG1-CD1 4.38Å; L676-L687 HydrophobicContact CD2-CD2 4.01Å; A685-L687 HydrophobicContact CB-CG 4.31Å; L687-S707 CarbonylContact O-C 3.4Å; L687-S707 WeakPolarHBondContact O-CA 3.3Å; L687-V708 PolarHBondContact N-O 2.99Å; L687-V708 PolarHBondContact O-N 3.07Å; L687-T711 WeakPolarHBondContact CD1-O 3.19Å; L687-P714 HydrophobicContact CB-CG 4.13Å; L687-P714 HydrophobicContact CD1-CG 3.81Å; L687-F716 HydrophobicContact CB-CZ 4.46Å; L687-F716 WeakPolarHBondContact O-CE1 3.24Å; L687-L744 HydrophobicContact CB-CD1 4.45Å; L687-Y745 WeakPolarHBondContact CA-O 3.13Å; L687-Q746 HydrophobicContact CD2-CB 4.2Å; L687-L757 HydrophobicContact CD2-CD1 3.52Å
688	F	96.2	Very high	90.8	Very high	45 Å²	45	62.9 Å²	62.9	20%	0.197	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.5	170.5	71.2	-85.4	0	0	0	110.7	T705 Y745 K747	F688-T705 WeakPolarHBondContact CA-OG1 3.42Å; F688-Y745 VanDerWaalsContact CE1-CB 3.48Å; F688-Y745 HydrophobicContact CE1-CG 4.36Å; F688-Y745 HydrophobicContact CE2-CD2 4.05Å; F688-Y745 HydrophobicContact CE2-CG 4.17Å; F688-Y745 VanDerWaalsContact CZ-CB 3.41Å; F688-Y745 HydrophobicContact CZ-CD2 4.17Å; F688-Y745 AromaticContact CZ-CG 3.83Å; F688-Y745 HydrophobicContact CZ-CG 3.83Å; F688-Y745 PolarHBondContact N-O 3.31Å; F688-Y745 PolarHBondContact O-N 2.86Å; F688-K747 HydrophobicContact CD1-CB 3.98Å; F688-K747 HydrophobicContact CE1-CB 3.93Å; F688-K747 HydrophobicContact CE1-CG 4.31Å
689	V	97.4	Very high	91.1	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.3	175	178.8	0	0	0	0	109.4	V668 L691 K704 T705 F716 F742 E743 L744 L790	V668-V689 HydrophobicContact CG1-CB 4.31Å; V668-V689 HydrophobicContact CG1-CG2 4.09Å; V689-L691 HydrophobicContact CG1-CD1 4.4Å; V689-K704 WeakPolarHBondContact O-CA 3.44Å; V689-T705 HydrophobicContact CB-CG2 3.84Å; V689-T705 PolarHBondContact N-OG1 2.87Å; V689-T705 PolarHBondContact O-N 3.01Å; V689-F716 HydrophobicContact CG2-CE2 3.89Å; V689-F716 HydrophobicContact CG2-CZ 3.87Å; V689-F742 HydrophobicContact CG1-CB 3.98Å; V689-F742 HydrophobicContact CG1-CD1 3.92Å; V689-F742 HydrophobicContact CG1-CG 4.46Å; V689-E743 WeakPolarHBondContact CA-O 3.35Å; V689-L744 HydrophobicContact CG2-CB 4.45Å; V689-L744 HydrophobicContact CG2-CD1 3.57Å; V689-L790 HydrophobicContact CG1-CD2 4.39Å; V689-L790 HydrophobicContact CG2-CD1 3.99Å
690	L	97.4	Very high	91.6	Very high	45 Å²	45	65.7 Å²	65.7	24%	0.236	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135	162.9	-167.3	79.8	0	0	0	108.3	V702 A703 K704 F742 E743 Y745	L690-V702 HydrophobicContact CD1-CG1 3.87Å; L690-V702 HydrophobicContact CD2-CG1 4.32Å; L690-V702 HydrophobicContact CG-CG1 4.08Å; L690-A703 WeakPolarHBondContact CA-O 3.39Å; L690-A703 WeakPolarHBondContact CD1-O 3.39Å; L690-K704 HydrophobicContact CD1-CB 4.29Å; L690-F742 CarbonylContact O-C 3.27Å; L690-F742 WeakPolarHBondContact O-CA 3.38Å; L690-E743 HydrophobicContact CB-CB 4.29Å; L690-E743 PolarHBondContact N-O 2.82Å; L690-E743 PolarHBondContact O-N 3.05Å; L690-Y745 HydrophobicContact CB-CD2 4.45Å; L690-Y745 HydrophobicContact CB-CE2 4.29Å
691	L	97.6	Very high	92.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137.9	174.8	-57.2	78.3	0	0	0	108.8	V666 V668 V689 V702 A703 T705 H720 F722 K741 F742	V666-L691 HydrophobicContact CB-CD2 4.39Å; V666-L691 HydrophobicContact CG1-CD2 3.85Å; V668-L691 HydrophobicContact CG2-CD1 4.04Å; V668-L691 HydrophobicContact CG2-CD2 3.88Å; V668-L691 HydrophobicContact CG2-CG 4.14Å; V689-L691 HydrophobicContact CG1-CD1 4.4Å; L691-V702 CarbonylContact O-C 3.52Å; L691-V702 VanDerWaalsContact O-CA 3.29Å; L691-V702 WeakPolarHBondContact O-CA 3.46Å; L691-A703 HydrophobicContact CB-CB 4.32Å; L691-A703 HydrophobicContact CD1-CB 4.41Å; L691-A703 PolarHBondContact N-O 3.2Å; L691-A703 PolarHBondContact O-N 3.14Å; L691-T705 HydrophobicContact CD1-CG2 4.14Å; L691-H720 HydrophobicContact CD2-CB 4.45Å; L691-F722 HydrophobicContact CB-CZ 3.9Å; L691-F722 HydrophobicContact CD2-CE2 4.28Å; L691-F722 HydrophobicContact CD2-CZ 4.36Å; L691-K741 CarbonylContact C-O 3.58Å; L691-K741 WeakPolarHBondContact CA-O 3.28Å; L691-F742 HydrophobicContact CD2-CD1 4.34Å; L691-F742 HydrophobicContact CD2-CE1 3.78Å; L691-F742 HydrophobicContact CG-CD1 3.91Å; L691-F742 HydrophobicContact CG-CE1 3.88Å
692	E	96.5	Very high	92.7	Very high	60 Å²	60	64.9 Å²	64.9	28%	0.28	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	116.8	177.6	177.8	-177.9	-174.8	0	0	109.3	P700 V702 K741	E692-P700 HydrophobicContact CG-CB 4.49Å; E692-V702 HydrophobicContact CG-CG2 4.36Å; E692-K741 HydrophobicContact CB-CB 4.22Å; E692-K741 PolarHBondContact N-O 2.93Å; E692-K741 PolarHBondContact O-N 3Å; E692-K741 WeakPolarHBondContact OE2-CD 3.35Å; E692-K741 IonicContact OE2-NZ 3.42Å; E692-K741 PolarHBondContact OE2-NZ 3.35Å
693	F	95.9	Very high	93.2	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.3	175.3	177.1	-125.6	0	0	0	109.2	M664 Y695 P700 Q701 F722 I724 V740 L764	M664-F693 HydrophobicContact CE-CD1 4.42Å; M664-F693 HydrophobicContact CE-CD2 3.69Å; M664-F693 HydrophobicContact CE-CE1 4.25Å; M664-F693 HydrophobicContact CE-CE2 3.53Å; M664-F693 HydrophobicContact CE-CG 4.17Å; M664-F693 HydrophobicContact CE-CZ 3.82Å; F693-Y695 HydrophobicContact CE1-CD1 4.32Å; F693-Y695 HydrophobicContact CE1-CG 4.45Å; F693-Y695 PolarHBondContact O-N 2.83Å; F693-P700 CarbonylContact O-C 3.44Å; F693-P700 WeakPolarHBondContact O-CA 3.42Å; F693-Q701 HydrophobicContact CB-CB 4.46Å; F693-Q701 PolarHBondContact N-O 2.86Å; F693-Q701 PolarHBondContact O-N 2.77Å; F693-F722 HydrophobicContact CB-CD1 3.65Å; F693-F722 HydrophobicContact CB-CD2 4Å; F693-F722 HydrophobicContact CB-CE1 3.55Å; F693-F722 HydrophobicContact CB-CE2 3.91Å; F693-F722 HydrophobicContact CB-CG 3.86Å; F693-F722 HydrophobicContact CB-CZ 3.68Å; F693-F722 HydrophobicContact CD1-CB 3.75Å; F693-F722 HydrophobicContact CD1-CD1 4.02Å; F693-F722 HydrophobicContact CD1-CD2 4.49Å; F693-F722 AromaticContact CD1-CG 3.85Å; F693-F722 HydrophobicContact CD1-CG 3.85Å; F693-F722 HydrophobicContact CE1-CB 4.15Å; F693-F722 HydrophobicContact CG-CB 4.36Å; F693-F722 HydrophobicContact CG-CD1 4.2Å; F693-F722 HydrophobicContact CG-CD2 4.28Å; F693-F722 HydrophobicContact CG-CG 4.04Å; F693-I724 HydrophobicContact CE1-CG2 3.82Å; F693-I724 HydrophobicContact CZ-CG2 3.84Å; F693-V740 HydrophobicContact CD2-CG2 3.99Å; F693-L764 HydrophobicContact CD2-CD1 4.15Å; F693-L764 HydrophobicContact CE2-CD1 3.71Å
694	P	92.8	Very high	93.7	Very high	30 Å²	30	62 Å²	62	20%	0.195	30%	0.295	C	S	.	.			trans	-73.1	3.6	-165.4	27.3	-36	0	0	0	115.9	P696 M734 H738 G739	P694-P696 CarbonylContact O-C 3.6Å; P694-M734 HydrophobicContact CB-CG 4.5Å; P694-M734 HydrophobicContact CB-SD 3.86Å; P694-M734 HydrophobicContact CG-CG 4.16Å; P694-M734 HydrophobicContact CG-SD 3.86Å; P694-M734 VanDerWaalsContact O-CE 3.28Å; P694-M734 WeakPolarHBondContact O-CE 3.44Å; P694-H738 HydrophobicContact CG-CB 3.83Å; P694-G739 VanDerWaalsContact CD-O 3.25Å; P694-G739 WeakPolarHBondContact CD-O 3.39Å
695	Y	91.8	Very high	94.2	Very high	31 Å²	31	57.2 Å²	57.2	12%	0.122	27%	0.274	C	S	.	.			trans	-107.8	138.7	-179.6	-175.9	-99.1	0	0	0	111.4	F693 Q701 N725 M731 M734	F693-Y695 HydrophobicContact CE1-CD1 4.32Å; F693-Y695 HydrophobicContact CE1-CG 4.45Å; F693-Y695 PolarHBondContact O-N 2.83Å; Y695-Q701 WeakPolarHBondContact O-CG 3.36Å; Y695-Q701 PolarHBondContact O-NE2 2.78Å; Y695-N725 HydrophobicContact CE1-CB 4.36Å; Y695-M731 HydrophobicContact CD1-CG 4.23Å; Y695-M731 HydrophobicContact CD1-SD 4.22Å; Y695-M731 HydrophobicContact CD2-CB 3.82Å; Y695-M731 HydrophobicContact CD2-CG 3.82Å; Y695-M731 HydrophobicContact CE1-CG 4.43Å; Y695-M731 HydrophobicContact CE1-SD 4.23Å; Y695-M731 HydrophobicContact CE2-CB 3.63Å; Y695-M731 HydrophobicContact CE2-CG 4.05Å; Y695-M731 HydrophobicContact CG-CB 4.41Å; Y695-M731 HydrophobicContact CG-CG 3.93Å; Y695-M731 HydrophobicContact CG-SD 4.5Å; Y695-M734 HydrophobicContact CD2-CE 4.23Å; Y695-M734 HydrophobicContact CD2-SD 4.19Å; Y695-M734 HydrophobicContact CG-SD 4.44Å
696	P	91.2	Very high	94.3	Very high	56 Å²	56	60.1 Å²	60.1	36%	0.364	29%	0.294	S	S	.	.	S	Bend	cis	-64	153.2	-11.7	-23	35.6	0	0	0	113.4	P694 D698 R699	P694-P696 CarbonylContact O-C 3.6Å; P696-D698 VanDerWaalsContact C-N 3.25Å; P696-D698 PolarHBondContact O-N 3.24Å; P696-D698 VanDerWaalsContact O-N 3.13Å; P696-R699 WeakPolarHBondContact CD-O 3.45Å; P696-R699 CarbonylContact O-C 3.59Å; P696-R699 PolarHBondContact O-N 2.83Å
697	R	85.3	Confident	94.3	Very high	191 Å²	191	60.9 Å²	60.9	72%	0.721	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-39.2	-171	-172.5	-175.2	-177.2	-160.1	-1.4	113.9	M734	R697-M734 HydrophobicContact CB-CE 3.78Å; R697-M734 HydrophobicContact CG-CE 4.3Å
698	D	89.4	Confident	94.3	Very high	153 Å²	153	62.5 Å²	62.5	82%	0.818	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.7	-174	-44.7	-76.1	0	0	0	112.4	P696	P696-D698 VanDerWaalsContact C-N 3.25Å; P696-D698 PolarHBondContact O-N 3.24Å; P696-D698 VanDerWaalsContact O-N 3.13Å
699	R	91.8	Very high	94.1	Very high	209 Å²	209	67.3 Å²	67.3	79%	0.789	33%	0.332	S	S	*	.	S	Bend	trans	-148.6	78.8	175.8	-172.5	-179.4	178.7	-179.9	-1.3	110.2	P696	P696-R699 WeakPolarHBondContact CD-O 3.45Å; P696-R699 CarbonylContact O-C 3.59Å; P696-R699 PolarHBondContact O-N 2.83Å
700	P	92.9	Very high	93.7	Very high	51 Å²	51	69.3 Å²	69.3	33%	0.331	35%	0.353	S	S	.	.			trans	-51.8	142.6	172.3	-28.6	36.9	0	0	0	111.9	E692 F693	E692-P700 HydrophobicContact CG-CB 4.49Å; F693-P700 CarbonylContact O-C 3.44Å; F693-P700 WeakPolarHBondContact O-CA 3.42Å
701	Q	95.7	Very high	93.4	Very high	39 Å²	39	69.3 Å²	69.3	18%	0.182	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.6	175.2	-69.6	171.6	79.4	0	0	109.3	F693 Y695 F722 V723	F693-Q701 HydrophobicContact CB-CB 4.46Å; F693-Q701 PolarHBondContact N-O 2.86Å; F693-Q701 PolarHBondContact O-N 2.77Å; Y695-Q701 WeakPolarHBondContact O-CG 3.36Å; Y695-Q701 PolarHBondContact O-NE2 2.78Å; Q701-F722 HydrophobicContact CB-CD1 3.59Å; Q701-F722 HydrophobicContact CB-CE1 3.81Å; Q701-V723 PolarHBondContact NE2-O 3.14Å
702	V	96.2	Very high	93.1	Very high	88 Å²	88	71.1 Å²	71.1	53%	0.533	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.3	-174.6	-178.6	0	0	0	0	110.1	L690 L691 E692	L690-V702 HydrophobicContact CD1-CG1 3.87Å; L690-V702 HydrophobicContact CD2-CG1 4.32Å; L690-V702 HydrophobicContact CG-CG1 4.08Å; L691-V702 CarbonylContact O-C 3.52Å; L691-V702 VanDerWaalsContact O-CA 3.29Å; L691-V702 WeakPolarHBondContact O-CA 3.46Å; E692-V702 HydrophobicContact CG-CG2 4.36Å
703	A	96.3	Very high	92.9	Very high	12 Å²	12	70.3 Å²	70.3	10%	0.099	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	168.1	-179.2	0	0	0	0	0	111.6	L690 L691 H720	L690-A703 WeakPolarHBondContact CA-O 3.39Å; L690-A703 WeakPolarHBondContact CD1-O 3.39Å; L691-A703 HydrophobicContact CB-CB 4.32Å; L691-A703 HydrophobicContact CD1-CB 4.41Å; L691-A703 PolarHBondContact N-O 3.2Å; L691-A703 PolarHBondContact O-N 3.14Å; A703-H720 HydrophobicContact CB-CB 4.5Å
704	K	95.4	Very high	92.8	Very high	153 Å²	153	70.2 Å²	70.2	67%	0.665	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.5	178.6	66.9	-172.8	179.7	-175.7	0	110.3	V689 L690	V689-K704 WeakPolarHBondContact O-CA 3.44Å; L690-K704 HydrophobicContact CD1-CB 4.29Å
705	T	96.8	Very high	92.9	Very high	12 Å²	12	73.6 Å²	73.6	7%	0.074	39%	0.386	C	S	.	.			trans	-72.2	170.8	173.1	66.3	0	0	0	0	111.9	V668 F688 V689 L691 F716 H718	V668-T705 HydrophobicContact CB-CG2 4.01Å; V668-T705 HydrophobicContact CG1-CG2 4.17Å; V668-T705 HydrophobicContact CG2-CG2 3.94Å; F688-T705 WeakPolarHBondContact CA-OG1 3.42Å; V689-T705 HydrophobicContact CB-CG2 3.84Å; V689-T705 PolarHBondContact N-OG1 2.87Å; V689-T705 PolarHBondContact O-N 3.01Å; L691-T705 HydrophobicContact CD1-CG2 4.14Å; T705-F716 HydrophobicContact CG2-CD1 4.42Å; T705-H718 HydrophobicContact CG2-CB 3.91Å
706	S	94.5	Very high	93	Very high	64 Å²	64	72.8 Å²	72.8	45%	0.448	38%	0.383	S	S	.	.			trans	-56.2	159.9	153.8	50.7	0	0	0	0	111.4
707	S	94.2	Very high	92.9	Very high	38 Å²	38	73 Å²	73	27%	0.266	40%	0.395	S	S	.	.			trans	-107.1	113.5	-176.4	-153.6	0	0	0	0	109.4	D686 L687 K747	D686-S707 VanDerWaalsContact OD1-CB 3.3Å; D686-S707 WeakPolarHBondContact OD1-CB 3.35Å; D686-S707 PolarHBondContact OD1-OG 2.85Å; L687-S707 CarbonylContact O-C 3.4Å; L687-S707 WeakPolarHBondContact O-CA 3.3Å; S707-K747 WeakPolarHBondContact OG-CD 3.43Å
708	V	94.7	Very high	93.3	Very high	33 Å²	33	66 Å²	66	20%	0.2	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.3	-170	-177	0	0	0	0	110	D686 L687 T711 P714 F716	D686-V708 WeakPolarHBondContact CA-O 3.36Å; L687-V708 PolarHBondContact N-O 2.99Å; L687-V708 PolarHBondContact O-N 3.07Å; V708-T711 HydrophobicContact CG1-CG2 3.92Å; V708-P714 HydrophobicContact CB-CB 3.7Å; V708-P714 HydrophobicContact CG1-CB 3.63Å; V708-P714 HydrophobicContact CG2-CB 4.25Å; V708-F716 HydrophobicContact CB-CE1 4.43Å; V708-F716 HydrophobicContact CG2-CD1 3.68Å; V708-F716 HydrophobicContact CG2-CE1 3.98Å
709	K	92.8	Very high	93.6	Very high	147 Å²	147	61.9 Å²	61.9	64%	0.639	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	153	-170.4	-68.8	174.9	-178.9	173.8	0	113.5	A685 D686 T711	A685-K709 CarbonylContact O-C 3.58Å; A685-K709 VanDerWaalsContact O-CA 3.28Å; A685-K709 WeakPolarHBondContact O-CA 3.3Å; D686-K709 HydrophobicContact CB-CG 4Å; D686-K709 WeakPolarHBondContact OD1-CG 3.35Å; D686-K709 WeakPolarHBondContact OD2-CE 3.25Å; K709-T711 VanDerWaalsContact C-N 3.31Å; K709-T711 PolarHBondContact O-N 2.84Å
710	G	88.6	Confident	93.8	Very high	42 Å²	42	54.2 Å²	54.2	43%	0.433	32%	0.324	S	S	.	.	S	Bend	trans	76.2	5.4	166.4	0	0	0	0	0	116.6	S682 A685	S682-G710 CarbonylContact O-C 3.55Å; S682-G710 WeakPolarHBondContact O-CA 3.49Å; A685-G710 PolarHBondContact O-N 2.94Å
711	T	91.3	Very high	94	Very high	45 Å²	45	56 Å²	56	28%	0.276	33%	0.326	S	S	.	.			trans	-136.5	143	-179.1	178.2	0	0	0	0	112.8	A685 L687 V708 K709 S713 P714	A685-T711 WeakPolarHBondContact CB-O 3.21Å; L687-T711 WeakPolarHBondContact CD1-O 3.19Å; V708-T711 HydrophobicContact CG1-CG2 3.92Å; K709-T711 VanDerWaalsContact C-N 3.31Å; K709-T711 PolarHBondContact O-N 2.84Å; T711-S713 PolarHBondContact OG1-N 2.93Å; T711-S713 PolarHBondContact OG1-O 2.96Å; T711-P714 HydrophobicContact CG2-CB 4Å
712	T	91.6	Very high	94	Very high	38 Å²	38	54.1 Å²	54.1	23%	0.233	32%	0.318	C	S	.	.	S	Bend	trans	-86.9	-6.5	170.1	50.8	0	0	0	0	113.3	V674 L676 P714	V674-T712 VanDerWaalsContact CB-O 3.24Å; V674-T712 WeakPolarHBondContact CB-O 3.3Å; V674-T712 VanDerWaalsContact CG2-O 3.31Å; V674-T712 WeakPolarHBondContact CG2-O 3.16Å; V674-T712 PolarHBondContact N-O 3.25Å; L676-T712 HydrophobicContact CD1-CG2 3.77Å; L676-T712 HydrophobicContact CD2-CG2 4.44Å; L676-T712 HydrophobicContact CG-CG2 3.85Å; T712-P714 VanDerWaalsContact C-CD 3.43Å
713	S	92.3	Very high	93.9	Very high	42 Å²	42	54.2 Å²	54.2	29%	0.294	32%	0.318	S	S	.	.	S	Bend	trans	-128.1	68.2	176.4	-61.8	0	0	0	0	109.4	A671 D673 T711	A671-S713 CarbonylContact O-C 3.55Å; A671-S713 VanDerWaalsContact O-C 3.27Å; A671-S713 WeakPolarHBondContact O-CA 3.3Å; D673-S713 PolarHBondContact N-OG 3Å; T711-S713 PolarHBondContact OG1-N 2.93Å; T711-S713 PolarHBondContact OG1-O 2.96Å
714	P	93.5	Very high	93.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.315	C	S	.	.			trans	-71.4	133.8	-177.1	29.8	-36.9	0	0	0	112	R670 A671 L687 V708 T711 T712 F716	R670-P714 CarbonylContact C-O 3.55Å; R670-P714 WeakPolarHBondContact CA-O 3.16Å; R670-P714 WeakPolarHBondContact CB-O 3.35Å; A671-P714 HydrophobicContact CB-CG 4.03Å; A671-P714 PolarHBondContact N-O 2.87Å; L687-P714 HydrophobicContact CB-CG 4.13Å; L687-P714 HydrophobicContact CD1-CG 3.81Å; V708-P714 HydrophobicContact CB-CB 3.7Å; V708-P714 HydrophobicContact CG1-CB 3.63Å; V708-P714 HydrophobicContact CG2-CB 4.25Å; T711-P714 HydrophobicContact CG2-CB 4Å; T712-P714 VanDerWaalsContact C-CD 3.43Å; P714-F716 HydrophobicContact CB-CE1 4.15Å; P714-F716 HydrophobicContact CB-CE2 4.2Å; P714-F716 HydrophobicContact CB-CZ 3.91Å; P714-F716 HydrophobicContact CG-CE1 4.14Å; P714-F716 HydrophobicContact CG-CE2 3.67Å; P714-F716 HydrophobicContact CG-CZ 3.43Å; P714-F716 VanDerWaalsContact CG-CZ 3.43Å
715	V	94.5	Very high	93.7	Very high	102 Å²	102	50 Å²	50	62%	0.618	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	126	160	-177.9	0	0	0	0	107.1	R670	R670-V715 HydrophobicContact CB-CB 4.43Å; R670-V715 HydrophobicContact CB-CG2 4.12Å
716	F	94	Very high	93.3	Very high	13 Å²	13	51.5 Å²	51.5	6%	0.057	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-36	-177	-65.1	-76.9	0	0	0	112.4	V668 C669 A671 L687 V689 T705 V708 P714 H718 L744 L790	V668-F716 HydrophobicContact CB-CB 4.43Å; V668-F716 HydrophobicContact CG1-CB 4.19Å; V668-F716 HydrophobicContact CG1-CD2 3.65Å; V668-F716 HydrophobicContact CG1-CE2 4.29Å; V668-F716 HydrophobicContact CG1-CG 4.1Å; V668-F716 WeakPolarHBondContact O-CB 3.31Å; C669-F716 PolarHBondContact O-N 2.88Å; A671-F716 HydrophobicContact CB-CE2 4.03Å; L687-F716 HydrophobicContact CB-CZ 4.46Å; L687-F716 WeakPolarHBondContact O-CE1 3.24Å; V689-F716 HydrophobicContact CG2-CE2 3.89Å; V689-F716 HydrophobicContact CG2-CZ 3.87Å; T705-F716 HydrophobicContact CG2-CD1 4.42Å; V708-F716 HydrophobicContact CB-CE1 4.43Å; V708-F716 HydrophobicContact CG2-CD1 3.68Å; V708-F716 HydrophobicContact CG2-CE1 3.98Å; P714-F716 HydrophobicContact CB-CE1 4.15Å; P714-F716 HydrophobicContact CB-CE2 4.2Å; P714-F716 HydrophobicContact CB-CZ 3.91Å; P714-F716 HydrophobicContact CG-CE1 4.14Å; P714-F716 HydrophobicContact CG-CE2 3.67Å; P714-F716 HydrophobicContact CG-CZ 3.43Å; P714-F716 VanDerWaalsContact CG-CZ 3.43Å; F716-H718 HydrophobicContact CB-CB 4.39Å; F716-H718 PolarHBondContact O-N 3.18Å; F716-L744 HydrophobicContact CZ-CD1 3.98Å; F716-L790 HydrophobicContact CE2-CD1 4.35Å
717	G	89.4	Confident	92.9	Very high	60 Å²	60	53 Å²	53	62%	0.619	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.7	18.7	-178	0	0	0	0	0	114.3	V668 C669	V668-G717 PolarHBondContact O-N 2.82Å; C669-G717 PolarHBondContact O-N 3.44Å
718	H	94.2	Very high	92.8	Very high	44 Å²	44	52.4 Å²	52.4	20%	0.204	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.2	-167	-178.8	73.9	0	0	0	111.1	H667 V668 T705 F716	H667-H718 CarbonylContact C-O 3.6Å; H667-H718 WeakPolarHBondContact CA-O 3.2Å; V668-H718 PolarHBondContact N-O 2.8Å; V668-H718 PolarHBondContact O-N 3Å; T705-H718 HydrophobicContact CG2-CB 3.91Å; F716-H718 HydrophobicContact CB-CB 4.39Å; F716-H718 PolarHBondContact O-N 3.18Å
719	V	95.6	Very high	92.6	Very high	67 Å²	67	60.2 Å²	60.2	41%	0.406	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.1	174.7	-167.2	0	0	0	0	109.2	E665 H667	E665-V719 HydrophobicContact CB-CG1 4.21Å; E665-V719 HydrophobicContact CG-CG1 4.32Å; H667-V719 WeakPolarHBondContact ND1-CG2 3.25Å
720	H	96.2	Very high	92.5	Very high	49 Å²	49	57.4 Å²	57.4	23%	0.227	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128.9	175.4	-174.8	68.3	0	0	0	111.4	E665 V666 L691 A703 F722	E665-H720 WeakPolarHBondContact CA-O 3.25Å; V666-H720 PolarHBondContact N-O 3.4Å; V666-H720 PolarHBondContact O-N 3.49Å; L691-H720 HydrophobicContact CD2-CB 4.45Å; A703-H720 HydrophobicContact CB-CB 4.5Å; H720-F722 AromaticContact CD2-CD1 3.55Å; H720-F722 AromaticContact CD2-CD2 3.93Å; H720-F722 AromaticContact CD2-CE1 3.43Å; H720-F722 VanDerWaalsContact CD2-CE1 3.43Å; H720-F722 WeakPolarHBondContact CD2-CE1 3.47Å; H720-F722 AromaticContact CD2-CE2 3.82Å; H720-F722 AromaticContact CD2-CG 3.81Å; H720-F722 AromaticContact CD2-CZ 3.58Å; H720-F722 AromaticContact NE2-CD1 3.53Å; H720-F722 AromaticContact NE2-CE1 3.53Å
721	K	96	Very high	92.6	Very high	87 Å²	87	55.4 Å²	55.4	38%	0.378	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	108.3	174.9	-75.4	163.9	163.5	-64.8	0	109.8	E663 E665	E663-K721 HydrophobicContact CG-CB 4.46Å; E663-K721 VanDerWaalsContact OE1-CD 3.31Å; E663-K721 WeakPolarHBondContact OE1-CD 3.42Å; E663-K721 IonicContact OE1-NZ 2.69Å; E663-K721 PolarHBondContact OE1-NZ 3.12Å; E663-K721 IonicContact OE2-NZ 2.94Å; E663-K721 PolarHBondContact OE2-NZ 2.95Å; E665-K721 HydrophobicContact CG-CG 3.53Å; E665-K721 WeakPolarHBondContact OE1-CE 3.49Å; E665-K721 IonicContact OE1-NZ 3.38Å; E665-K721 PolarHBondContact OE1-NZ 3.18Å
722	F	96.1	Very high	92.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	137.9	168.1	-72.3	-63.4	0	0	0	110.7	E663 M664 V666 L691 F693 Q701 H720 V740	E663-F722 CarbonylContact C-O 3.49Å; E663-F722 WeakPolarHBondContact CA-O 3.47Å; M664-F722 HydrophobicContact CE-CB 4.28Å; M664-F722 HydrophobicContact CE-CD2 3.95Å; M664-F722 HydrophobicContact CE-CG 4.49Å; M664-F722 PolarHBondContact N-O 3.23Å; M664-F722 PolarHBondContact O-N 3.07Å; V666-F722 HydrophobicContact CB-CD2 4.24Å; V666-F722 HydrophobicContact CB-CE2 4.1Å; V666-F722 HydrophobicContact CG2-CD2 3.66Å; V666-F722 HydrophobicContact CG2-CE2 3.85Å; L691-F722 HydrophobicContact CB-CZ 3.9Å; L691-F722 HydrophobicContact CD2-CE2 4.28Å; L691-F722 HydrophobicContact CD2-CZ 4.36Å; F693-F722 HydrophobicContact CB-CD1 3.65Å; F693-F722 HydrophobicContact CB-CD2 4Å; F693-F722 HydrophobicContact CB-CE1 3.55Å; F693-F722 HydrophobicContact CB-CE2 3.91Å; F693-F722 HydrophobicContact CB-CG 3.86Å; F693-F722 HydrophobicContact CB-CZ 3.68Å; F693-F722 HydrophobicContact CD1-CB 3.75Å; F693-F722 HydrophobicContact CD1-CD1 4.02Å; F693-F722 HydrophobicContact CD1-CD2 4.49Å; F693-F722 AromaticContact CD1-CG 3.85Å; F693-F722 HydrophobicContact CD1-CG 3.85Å; F693-F722 HydrophobicContact CE1-CB 4.15Å; F693-F722 HydrophobicContact CG-CB 4.36Å; F693-F722 HydrophobicContact CG-CD1 4.2Å; F693-F722 HydrophobicContact CG-CD2 4.28Å; F693-F722 HydrophobicContact CG-CG 4.04Å; Q701-F722 HydrophobicContact CB-CD1 3.59Å; Q701-F722 HydrophobicContact CB-CE1 3.81Å; H720-F722 AromaticContact CD2-CD1 3.55Å; H720-F722 AromaticContact CD2-CD2 3.93Å; H720-F722 AromaticContact CD2-CE1 3.43Å; H720-F722 VanDerWaalsContact CD2-CE1 3.43Å; H720-F722 WeakPolarHBondContact CD2-CE1 3.47Å; H720-F722 AromaticContact CD2-CE2 3.82Å; H720-F722 AromaticContact CD2-CG 3.81Å; H720-F722 AromaticContact CD2-CZ 3.58Å; H720-F722 AromaticContact NE2-CD1 3.53Å; H720-F722 AromaticContact NE2-CE1 3.53Å; F722-V740 HydrophobicContact CE2-CG1 4.07Å; F722-V740 HydrophobicContact CE2-CG2 4.4Å; F722-V740 HydrophobicContact CZ-CG1 4.47Å
723	V	94.9	Very high	92.5	Very high	90 Å²	90	57 Å²	57	55%	0.545	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127.4	174.8	-176.7	0	0	0	0	110	T662 Q701	T662-V723 WeakPolarHBondContact O-CA 3.43Å; Q701-V723 PolarHBondContact NE2-O 3.14Å
724	I	93.8	Very high	92.4	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.031	32%	0.319	C	S	.	.			trans	-125.3	157.9	177.5	61.8	165.3	0	0	0	111.3	T662 E663 M664 F693 P726 M731 I796	T662-I724 VanDerWaalsContact C-CG1 3.42Å; T662-I724 CarbonylContact C-O 3.52Å; T662-I724 VanDerWaalsContact CA-O 3.3Å; T662-I724 WeakPolarHBondContact CA-O 3.28Å; T662-I724 PolarHBondContact O-N 2.87Å; E663-I724 WeakPolarHBondContact O-CD1 3.21Å; M664-I724 HydrophobicContact CB-CD1 4.29Å; M664-I724 HydrophobicContact CB-CG2 3.76Å; F693-I724 HydrophobicContact CE1-CG2 3.82Å; F693-I724 HydrophobicContact CZ-CG2 3.84Å; I724-P726 HydrophobicContact CD1-CG 4.12Å; I724-M731 HydrophobicContact CB-CE 4.14Å; I724-M731 HydrophobicContact CB-SD 3.56Å; I724-M731 VanDerWaalsContact CB-SD 3.56Å; I724-M731 HydrophobicContact CG2-SD 3.99Å; I724-I796 HydrophobicContact CD1-CG2 4.03Å
725	N	92.1	Very high	92.1	Very high	71 Å²	71	56.2 Å²	56.2	38%	0.38	32%	0.321	S	S	.	.			trans	-131.8	91.4	172	-178.1	-22.4	0	0	0	109.3	Y695 A727 S728 M731	Y695-N725 HydrophobicContact CE1-CB 4.36Å; N725-A727 PolarHBondContact O-N 3.09Å; N725-A727 PolarHBondContact OD1-N 2.82Å; N725-S728 VanDerWaalsContact O-CB 3.24Å; N725-S728 WeakPolarHBondContact O-CB 3.45Å; N725-S728 PolarHBondContact O-N 2.92Å; N725-S728 PolarHBondContact OD1-N 3.42Å; N725-M731 VanDerWaalsContact C-CE 3.47Å; N725-M731 PolarHBondContact N-SD 2.83Å; N725-M731 VanDerWaalsContact O-CE 3.31Å; N725-M731 WeakPolarHBondContact O-CE 3.43Å
726	P	88.5	Confident	91.8	Very high	43 Å²	43	56 Å²	56	28%	0.279	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.3	-179.5	-29.3	37.6	0	0	0	114.9	G661 I724 S728 L800	G661-P726 WeakPolarHBondContact O-CD 3.45Å; G661-P726 WeakPolarHBondContact O-CG 3.46Å; I724-P726 HydrophobicContact CD1-CG 4.12Å; P726-S728 PolarHBondContact O-N 3.42Å; P726-L800 HydrophobicContact CB-CD2 3.9Å; P726-L800 HydrophobicContact CG-CD2 3.99Å
727	A	87.3	Confident	91.6	Very high	96 Å²	96	64.4 Å²	64.4	79%	0.793	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.6	175.7	0	0	0	0	0	113.1	N725 R729	N725-A727 PolarHBondContact O-N 3.09Å; N725-A727 PolarHBondContact OD1-N 2.82Å; A727-R729 PolarHBondContact O-N 2.92Å; A727-R729 VanDerWaalsContact O-N 3.17Å
728	S	91.2	Very high	91.7	Very high	26 Å²	26	66.2 Å²	66.2	18%	0.182	33%	0.334	C	S	.	.			trans	-76.3	104	179.6	-168.6	0	0	0	0	111.6	N725 P726 V730 M731 L732	N725-S728 VanDerWaalsContact O-CB 3.24Å; N725-S728 WeakPolarHBondContact O-CB 3.45Å; N725-S728 PolarHBondContact O-N 2.92Å; N725-S728 PolarHBondContact OD1-N 3.42Å; P726-S728 PolarHBondContact O-N 3.42Å; S728-V730 PolarHBondContact O-N 3.25Å; S728-M731 WeakPolarHBondContact O-CA 3.29Å; S728-M731 WeakPolarHBondContact O-CB 3.22Å; S728-M731 PolarHBondContact O-N 3.38Å; S728-L732 PolarHBondContact O-N 2.55Å
729	R	89.9	Confident	91.6	Very high	197 Å²	197	64.2 Å²	64.2	74%	0.743	33%	0.326	S	S	*	.	H	α-helix	trans	-53.1	-27.5	171	-175.6	172.5	179.8	156.6	1.2	113.2	A727 L733	A727-R729 PolarHBondContact O-N 2.92Å; A727-R729 VanDerWaalsContact O-N 3.17Å; R729-L733 HydrophobicContact CG-CD1 4.14Å; R729-L733 WeakPolarHBondContact O-CB 3.19Å; R729-L733 VanDerWaalsContact O-CG 3.27Å; R729-L733 WeakPolarHBondContact O-CG 3.3Å; R729-L733 PolarHBondContact O-N 3.37Å; R729-L733 VanDerWaalsContact O-N 3.08Å
730	V	91.2	Very high	91.7	Very high	88 Å²	88	61 Å²	61	53%	0.533	31%	0.307	S	S	.	.	H	α-helix	trans	-68	-42.4	174.3	179.8	0	0	0	0	111.1	S728 L733 M734	S728-V730 PolarHBondContact O-N 3.25Å; V730-L733 PolarHBondContact O-N 3.46Å; V730-M734 WeakPolarHBondContact O-CB 3.3Å; V730-M734 PolarHBondContact O-N 2.79Å
731	M	91.7	Very high	91.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.2	-46.8	175.1	-167.7	-170.4	77.2	0	0	111.5	Y695 I724 N725 S728 L733 M734 M735 L800	Y695-M731 HydrophobicContact CD1-CG 4.23Å; Y695-M731 HydrophobicContact CD1-SD 4.22Å; Y695-M731 HydrophobicContact CD2-CB 3.82Å; Y695-M731 HydrophobicContact CD2-CG 3.82Å; Y695-M731 HydrophobicContact CE1-CG 4.43Å; Y695-M731 HydrophobicContact CE1-SD 4.23Å; Y695-M731 HydrophobicContact CE2-CB 3.63Å; Y695-M731 HydrophobicContact CE2-CG 4.05Å; Y695-M731 HydrophobicContact CG-CB 4.41Å; Y695-M731 HydrophobicContact CG-CG 3.93Å; Y695-M731 HydrophobicContact CG-SD 4.5Å; I724-M731 HydrophobicContact CB-CE 4.14Å; I724-M731 HydrophobicContact CB-SD 3.56Å; I724-M731 VanDerWaalsContact CB-SD 3.56Å; I724-M731 HydrophobicContact CG2-SD 3.99Å; N725-M731 VanDerWaalsContact C-CE 3.47Å; N725-M731 PolarHBondContact N-SD 2.83Å; N725-M731 VanDerWaalsContact O-CE 3.31Å; N725-M731 WeakPolarHBondContact O-CE 3.43Å; S728-M731 WeakPolarHBondContact O-CA 3.29Å; S728-M731 WeakPolarHBondContact O-CB 3.22Å; S728-M731 PolarHBondContact O-N 3.38Å; M731-L733 VanDerWaalsContact C-N 3.27Å; M731-L733 PolarHBondContact O-N 2.86Å; M731-M734 WeakPolarHBondContact O-CA 3.36Å; M731-M734 WeakPolarHBondContact O-CB 3.38Å; M731-M734 PolarHBondContact O-N 2.84Å; M731-M735 HydrophobicContact CE-SD 3.73Å; M731-M735 HydrophobicContact CG-CG 4.33Å; M731-M735 HydrophobicContact CG-SD 3.94Å; M731-M735 PolarHBondContact O-N 2.86Å; M731-M735 HydrophobicContact SD-SD 4.14Å; M731-L800 HydrophobicContact CE-CD2 4.26Å
732	L	90.1	Very high	91.8	Very high	34 Å²	34	57.6 Å²	57.6	18%	0.178	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-37.9	178	-60.9	179	0	0	0	112.2	S728 M734 K736 L800 L801	S728-L732 PolarHBondContact O-N 2.55Å; L732-M734 VanDerWaalsContact C-N 3.32Å; L732-K736 WeakPolarHBondContact O-CB 3.48Å; L732-K736 VanDerWaalsContact O-CG 3.3Å; L732-K736 WeakPolarHBondContact O-CG 3.48Å; L732-K736 PolarHBondContact O-N 3.06Å; L732-L800 HydrophobicContact CD2-CB 3.82Å; L732-L800 HydrophobicContact CD2-CD1 4.26Å; L732-L800 HydrophobicContact CD2-CD2 4.46Å; L732-L800 HydrophobicContact CD2-CG 4.41Å; L732-L801 HydrophobicContact CD1-CD1 4.42Å; L732-L801 HydrophobicContact CD2-CD1 4.12Å
733	L	90.4	Very high	91.8	Very high	81 Å²	81	59 Å²	59	42%	0.424	30%	0.298	S	S	.	.	H	α-helix	trans	-73.8	-21.1	173.9	-73.6	171.4	0	0	0	113.8	R729 V730 M731 R737	R729-L733 HydrophobicContact CG-CD1 4.14Å; R729-L733 WeakPolarHBondContact O-CB 3.19Å; R729-L733 VanDerWaalsContact O-CG 3.27Å; R729-L733 WeakPolarHBondContact O-CG 3.3Å; R729-L733 PolarHBondContact O-N 3.37Å; R729-L733 VanDerWaalsContact O-N 3.08Å; V730-L733 PolarHBondContact O-N 3.46Å; M731-L733 VanDerWaalsContact C-N 3.27Å; M731-L733 PolarHBondContact O-N 2.86Å; L733-R737 WeakPolarHBondContact O-CD 3.47Å; L733-R737 WeakPolarHBondContact O-CG 3.19Å
734	M	88.9	Confident	91.9	Very high	19 Å²	19	54.7 Å²	54.7	9%	0.094	27%	0.272	C	S	.	.	H	α-helix	trans	-82.4	-47.3	177.2	-174.4	-173.6	-74.6	0	0	111.4	P694 Y695 R697 V730 M731 L732 K736 R737 H738	P694-M734 HydrophobicContact CB-CG 4.5Å; P694-M734 HydrophobicContact CB-SD 3.86Å; P694-M734 HydrophobicContact CG-CG 4.16Å; P694-M734 HydrophobicContact CG-SD 3.86Å; P694-M734 VanDerWaalsContact O-CE 3.28Å; P694-M734 WeakPolarHBondContact O-CE 3.44Å; Y695-M734 HydrophobicContact CD2-CE 4.23Å; Y695-M734 HydrophobicContact CD2-SD 4.19Å; Y695-M734 HydrophobicContact CG-SD 4.44Å; R697-M734 HydrophobicContact CB-CE 3.78Å; R697-M734 HydrophobicContact CG-CE 4.3Å; V730-M734 WeakPolarHBondContact O-CB 3.3Å; V730-M734 PolarHBondContact O-N 2.79Å; M731-M734 WeakPolarHBondContact O-CA 3.36Å; M731-M734 WeakPolarHBondContact O-CB 3.38Å; M731-M734 PolarHBondContact O-N 2.84Å; L732-M734 VanDerWaalsContact C-N 3.32Å; M734-K736 PolarHBondContact O-N 2.92Å; M734-R737 CarbonylContact O-C 3.57Å; M734-R737 WeakPolarHBondContact O-CA 3.42Å; M734-R737 PolarHBondContact O-N 3.18Å; M734-H738 PolarHBondContact O-N 3.39Å
735	M	88.1	Confident	92	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.039	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-25.5	176.4	-64.9	176.4	74.1	0	0	112.3	M664 M731 R737 L764 L767 L800	M664-M735 HydrophobicContact SD-CE 4.2Å; M731-M735 HydrophobicContact CE-SD 3.73Å; M731-M735 HydrophobicContact CG-CG 4.33Å; M731-M735 HydrophobicContact CG-SD 3.94Å; M731-M735 PolarHBondContact O-N 2.86Å; M731-M735 HydrophobicContact SD-SD 4.14Å; M735-R737 VanDerWaalsContact C-N 3.25Å; M735-R737 PolarHBondContact O-N 3.39Å; M735-L764 HydrophobicContact CB-CB 3.97Å; M735-L764 HydrophobicContact CE-CB 3.85Å; M735-L764 HydrophobicContact CE-CD1 4.05Å; M735-L764 HydrophobicContact CE-CG 4.45Å; M735-L764 HydrophobicContact CG-CB 4.31Å; M735-L764 HydrophobicContact CG-CD1 4.16Å; M735-L767 HydrophobicContact CE-CB 4.41Å; M735-L767 HydrophobicContact CE-CD1 3.69Å; M735-L800 HydrophobicContact CE-CD1 3.48Å; M735-L800 VanDerWaalsContact CE-CD1 3.48Å; M735-L800 HydrophobicContact SD-CD1 3.63Å
736	K	89	Confident	92.1	Very high	96 Å²	96	54 Å²	54	42%	0.417	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-13.1	168.6	-83.7	178.1	171.5	178.3	0	115.7	L732 M734 E768	L732-K736 WeakPolarHBondContact O-CB 3.48Å; L732-K736 VanDerWaalsContact O-CG 3.3Å; L732-K736 WeakPolarHBondContact O-CG 3.48Å; L732-K736 PolarHBondContact O-N 3.06Å; M734-K736 PolarHBondContact O-N 2.92Å; K736-E768 WeakPolarHBondContact CE-OE1 3.49Å; K736-E768 WeakPolarHBondContact CE-OE2 3.31Å; K736-E768 WeakPolarHBondContact CG-OE1 3.29Å; K736-E768 IonicContact NZ-OE1 3.58Å; K736-E768 IonicContact NZ-OE2 3.67Å; K736-E768 PolarHBondContact NZ-OE2 2.82Å
737	R	89.5	Confident	92.3	Very high	191 Å²	191	56.2 Å²	56.2	72%	0.721	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	-24.7	-169.1	-70.9	-180	173.9	-173	-2.6	114.4	L733 M734 M735	L733-R737 WeakPolarHBondContact O-CD 3.47Å; L733-R737 WeakPolarHBondContact O-CG 3.19Å; M734-R737 CarbonylContact O-C 3.57Å; M734-R737 WeakPolarHBondContact O-CA 3.42Å; M734-R737 PolarHBondContact O-N 3.18Å; M735-R737 VanDerWaalsContact C-N 3.25Å; M735-R737 PolarHBondContact O-N 3.39Å
738	H	90.9	Very high	92.4	Very high	97 Å²	97	53.1 Å²	53.1	45%	0.449	25%	0.247	S	C	.	.			trans	-139.2	145.2	-172.6	-56.9	-68.8	0	0	0	109.8	P694 M734	P694-H738 HydrophobicContact CG-CB 3.83Å; M734-H738 PolarHBondContact O-N 3.39Å
739	G	93.3	Very high	92	Very high	3 Å²	3	56 Å²	56	3%	0.031	27%	0.267	C	S	.	.			trans	-95.4	-173.2	176.8	0	0	0	0	0	114.8	P694 E761 L762	P694-G739 VanDerWaalsContact CD-O 3.25Å; P694-G739 WeakPolarHBondContact CD-O 3.39Å; G739-E761 PolarHBondContact N-OE1 2.83Å; G739-L762 CarbonylContact C-O 3.03Å; G739-L762 WeakPolarHBondContact CA-O 3.4Å
740	V	96.6	Very high	91.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.1	153.9	-178.9	0	0	0	0	107.3	M664 V666 F693 F722 F742 E761 L762 L764	M664-V740 HydrophobicContact CE-CG2 3.82Å; V666-V740 HydrophobicContact CG2-CG2 4.24Å; F693-V740 HydrophobicContact CD2-CG2 3.99Å; F722-V740 HydrophobicContact CE2-CG1 4.07Å; F722-V740 HydrophobicContact CE2-CG2 4.4Å; F722-V740 HydrophobicContact CZ-CG1 4.47Å; V740-F742 HydrophobicContact CB-CE2 3.81Å; V740-F742 HydrophobicContact CB-CZ 3.96Å; V740-F742 HydrophobicContact CG1-CD2 4.36Å; V740-F742 HydrophobicContact CG1-CE1 4.07Å; V740-F742 HydrophobicContact CG1-CE2 3.71Å; V740-F742 HydrophobicContact CG1-CZ 3.55Å; V740-F742 WeakPolarHBondContact O-CD2 3.27Å; V740-F742 VanDerWaalsContact O-CE2 3.27Å; V740-F742 WeakPolarHBondContact O-CE2 3.39Å; V740-E761 CarbonylContact O-C 3.55Å; V740-E761 WeakPolarHBondContact O-CA 3.39Å; V740-L762 PolarHBondContact N-O 3.3Å; V740-L762 PolarHBondContact O-N 3.37Å; V740-L764 HydrophobicContact CG2-CD1 4.06Å; V740-L764 HydrophobicContact CG2-CD2 4.23Å
741	K	96.6	Very high	91.5	Very high	63 Å²	63	58.7 Å²	58.7	27%	0.274	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.5	176.5	168.8	169.3	164.4	-75.7	0	109.7	L691 E692 E743 A760	L691-K741 CarbonylContact C-O 3.58Å; L691-K741 WeakPolarHBondContact CA-O 3.28Å; E692-K741 HydrophobicContact CB-CB 4.22Å; E692-K741 PolarHBondContact N-O 2.93Å; E692-K741 PolarHBondContact O-N 3Å; E692-K741 WeakPolarHBondContact OE2-CD 3.35Å; E692-K741 IonicContact OE2-NZ 3.42Å; E692-K741 PolarHBondContact OE2-NZ 3.35Å; K741-E743 WeakPolarHBondContact CE-OE1 3.46Å; K741-E743 HydrophobicContact CG-CG 4.43Å; K741-E743 IonicContact NZ-OE1 2.63Å; K741-E743 PolarHBondContact NZ-OE1 3.43Å; K741-E743 IonicContact NZ-OE2 2.76Å; K741-A760 WeakPolarHBondContact CA-O 3.31Å
742	F	97.7	Very high	91.2	Very high	1 Å²	1	65 Å²	65	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135	178.6	-59.2	-92.7	0	0	0	109.3	V666 V668 V689 L690 L691 V740 S759 A760 L762 L777 L790 V792	V666-F742 HydrophobicContact CG1-CE1 3.87Å; V666-F742 HydrophobicContact CG1-CZ 3.7Å; V668-F742 HydrophobicContact CG2-CD1 4.29Å; V668-F742 HydrophobicContact CG2-CE1 4.02Å; V689-F742 HydrophobicContact CG1-CB 3.98Å; V689-F742 HydrophobicContact CG1-CD1 3.92Å; V689-F742 HydrophobicContact CG1-CG 4.46Å; L690-F742 CarbonylContact O-C 3.27Å; L690-F742 WeakPolarHBondContact O-CA 3.38Å; L691-F742 HydrophobicContact CD2-CD1 4.34Å; L691-F742 HydrophobicContact CD2-CE1 3.78Å; L691-F742 HydrophobicContact CG-CD1 3.91Å; L691-F742 HydrophobicContact CG-CE1 3.88Å; V740-F742 HydrophobicContact CB-CE2 3.81Å; V740-F742 HydrophobicContact CB-CZ 3.96Å; V740-F742 HydrophobicContact CG1-CD2 4.36Å; V740-F742 HydrophobicContact CG1-CE1 4.07Å; V740-F742 HydrophobicContact CG1-CE2 3.71Å; V740-F742 HydrophobicContact CG1-CZ 3.55Å; V740-F742 WeakPolarHBondContact O-CD2 3.27Å; V740-F742 VanDerWaalsContact O-CE2 3.27Å; V740-F742 WeakPolarHBondContact O-CE2 3.39Å; F742-S759 CarbonylContact O-C 3.45Å; F742-S759 WeakPolarHBondContact O-CA 3.34Å; F742-A760 PolarHBondContact N-O 2.94Å; F742-A760 PolarHBondContact O-N 3.45Å; F742-L762 HydrophobicContact CE2-CB 3.67Å; F742-L762 HydrophobicContact CZ-CB 4.48Å; F742-L777 HydrophobicContact CD2-CD1 3.94Å; F742-L777 HydrophobicContact CE2-CD1 4.2Å; F742-L790 HydrophobicContact CB-CD2 3.62Å; F742-L790 HydrophobicContact CD1-CD2 4.1Å; F742-L790 HydrophobicContact CG-CD2 3.88Å; F742-V792 HydrophobicContact CD1-CG1 4.07Å; F742-V792 HydrophobicContact CD2-CG1 4.49Å; F742-V792 HydrophobicContact CE1-CB 4.33Å; F742-V792 HydrophobicContact CE1-CG1 3.75Å; F742-V792 HydrophobicContact CE2-CB 4.4Å; F742-V792 HydrophobicContact CE2-CG1 4.22Å; F742-V792 HydrophobicContact CE2-CG2 4.06Å; F742-V792 HydrophobicContact CG-CG1 4.43Å; F742-V792 HydrophobicContact CZ-CB 3.98Å; F742-V792 HydrophobicContact CZ-CG1 3.83Å; F742-V792 HydrophobicContact CZ-CG2 4.11Å
743	E	96.6	Very high	91.2	Very high	29 Å²	29	68.1 Å²	68.1	14%	0.136	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	115.5	175.8	-61.6	-165.2	145.8	0	0	110	V689 L690 K741 Y745 L756 S759	V689-E743 WeakPolarHBondContact CA-O 3.35Å; L690-E743 HydrophobicContact CB-CB 4.29Å; L690-E743 PolarHBondContact N-O 2.82Å; L690-E743 PolarHBondContact O-N 3.05Å; K741-E743 WeakPolarHBondContact CE-OE1 3.46Å; K741-E743 HydrophobicContact CG-CG 4.43Å; K741-E743 IonicContact NZ-OE1 2.63Å; K741-E743 PolarHBondContact NZ-OE1 3.43Å; K741-E743 IonicContact NZ-OE2 2.76Å; E743-Y745 HydrophobicContact CB-CD2 4.2Å; E743-Y745 HydrophobicContact CB-CE2 3.65Å; E743-Y745 WeakPolarHBondContact O-CD2 3.49Å; E743-Y745 PolarHBondContact OE2-OH 3.33Å; E743-L756 HydrophobicContact CB-CD1 3.81Å; E743-L756 HydrophobicContact CG-CD1 4.4Å; E743-S759 PolarHBondContact OE1-OG 2.69Å
744	L	96.4	Very high	91.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.3	-178.2	-179.7	66.6	0	0	0	110.2	A671 V674 L687 V689 F716 L757 G758 L779	A671-L744 HydrophobicContact CB-CD2 4.3Å; V674-L744 HydrophobicContact CB-CD2 4.23Å; V674-L744 HydrophobicContact CG1-CD2 3.51Å; V674-L744 HydrophobicContact CG2-CD2 3.6Å; L687-L744 HydrophobicContact CB-CD1 4.45Å; V689-L744 HydrophobicContact CG2-CB 4.45Å; V689-L744 HydrophobicContact CG2-CD1 3.57Å; F716-L744 HydrophobicContact CZ-CD1 3.98Å; L744-L757 HydrophobicContact CG-CD1 4.39Å; L744-L757 WeakPolarHBondContact O-CB 2.88Å; L744-L757 PolarHBondContact O-N 3.28Å; L744-G758 PolarHBondContact N-O 3.08Å; L744-L779 HydrophobicContact CB-CD2 4.37Å; L744-L779 HydrophobicContact CD2-CD1 3.6Å
745	Y	95.5	Very high	91.4	Very high	59 Å²	59	69.4 Å²	69.4	23%	0.231	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.8	-177.3	-78.5	-89.6	0	0	0	112.1	L687 F688 L690 E743 K755 L756	L687-Y745 WeakPolarHBondContact CA-O 3.13Å; F688-Y745 VanDerWaalsContact CE1-CB 3.48Å; F688-Y745 HydrophobicContact CE1-CG 4.36Å; F688-Y745 HydrophobicContact CE2-CD2 4.05Å; F688-Y745 HydrophobicContact CE2-CG 4.17Å; F688-Y745 VanDerWaalsContact CZ-CB 3.41Å; F688-Y745 HydrophobicContact CZ-CD2 4.17Å; F688-Y745 AromaticContact CZ-CG 3.83Å; F688-Y745 HydrophobicContact CZ-CG 3.83Å; F688-Y745 PolarHBondContact N-O 3.31Å; F688-Y745 PolarHBondContact O-N 2.86Å; L690-Y745 HydrophobicContact CB-CD2 4.45Å; L690-Y745 HydrophobicContact CB-CE2 4.29Å; E743-Y745 HydrophobicContact CB-CD2 4.2Å; E743-Y745 HydrophobicContact CB-CE2 3.65Å; E743-Y745 WeakPolarHBondContact O-CD2 3.49Å; E743-Y745 PolarHBondContact OE2-OH 3.33Å; Y745-K755 WeakPolarHBondContact CA-O 3.28Å; Y745-L756 HydrophobicContact CD1-CB 4.23Å; Y745-L756 HydrophobicContact CD2-CD1 4.45Å; Y745-L756 HydrophobicContact CE1-CB 3.81Å; Y745-L756 HydrophobicContact CE1-CD1 4.4Å; Y745-L756 HydrophobicContact CE2-CD1 4.1Å
746	Q	94.8	Very high	91.7	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.019	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	119.9	152.6	171.1	59.2	47.7	0	0	108.1	P677 Y680 H684 L687 G754 K755 L757	P677-Q746 HydrophobicContact CG-CB 4.23Å; P677-Q746 HydrophobicContact CG-CG 4.45Å; Y680-Q746 HydrophobicContact CD1-CG 4.26Å; Y680-Q746 HydrophobicContact CE1-CG 3.89Å; Y680-Q746 HydrophobicContact CE2-CG 4.33Å; H684-Q746 PolarHBondContact O-NE2 3.26Å; L687-Q746 HydrophobicContact CD2-CB 4.2Å; Q746-G754 CarbonylContact O-C 3.51Å; Q746-G754 WeakPolarHBondContact O-CA 2.79Å; Q746-K755 PolarHBondContact N-O 3.39Å; Q746-K755 PolarHBondContact O-N 3.38Å; Q746-L757 HydrophobicContact CB-CD1 4.19Å; Q746-L757 HydrophobicContact CB-CD2 3.92Å; Q746-L757 HydrophobicContact CB-CG 4.29Å
747	K	92.9	Very high	91.9	Very high	88 Å²	88	68.6 Å²	68.6	38%	0.383	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-65.8	144.5	175.6	-171.5	168.7	162.2	-164.1	0	111.3	D686 F688 S707	D686-K747 HydrophobicContact CB-CB 4.09Å; D686-K747 WeakPolarHBondContact O-CB 3.46Å; D686-K747 PolarHBondContact O-N 3.01Å; D686-K747 IonicContact OD2-NZ 3.14Å; F688-K747 HydrophobicContact CD1-CB 3.98Å; F688-K747 HydrophobicContact CE1-CB 3.93Å; F688-K747 HydrophobicContact CE1-CG 4.31Å; S707-K747 WeakPolarHBondContact OG-CD 3.43Å
748	G	88.3	Confident	92.1	Very high	32 Å²	32	59.5 Å²	59.5	33%	0.33	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-73.4	157	177	0	0	0	0	0	112.9	R752	G748-R752 CarbonylContact C-O 3.44Å; G748-R752 WeakPolarHBondContact CA-O 2.78Å
749	S	84.4	Confident	92.4	Very high	87 Å²	87	56.2 Å²	56.2	61%	0.608	30%	0.299	S	S	*	.	B	Isolated β-bridge	trans	-113.6	173.2	166.2	-178.7	0	0	0	0	108.7	F751 R752	S749-F751 PolarHBondContact O-N 3.35Å; S749-R752 PolarHBondContact N-O 3.4Å; S749-R752 CarbonylContact O-C 3.52Å; S749-R752 PolarHBondContact O-N 2.78Å
750	L	84.7	Confident	92.5	Very high	151 Å²	151	56.6 Å²	56.6	79%	0.791	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-29.4	-173.5	-173.1	61.7	0	0	0	114.2
751	F	84.4	Confident	92.5	Very high	189 Å²	189	61.4 Å²	61.4	83%	0.829	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	11.9	179.8	-51.6	-70.3	0	0	0	114.5	S749	S749-F751 PolarHBondContact O-N 3.35Å
752	R	86.4	Confident	92.5	Very high	134 Å²	134	58.4 Å²	58.4	51%	0.506	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-144.2	119.5	-178.8	-60.1	-174	-173.1	-84.6	12.3	110.5	Y680 G748 S749	Y680-R752 WeakPolarHBondContact OH-CB 3.44Å; Y680-R752 VanDerWaalsContact OH-CD 3.31Å; Y680-R752 WeakPolarHBondContact OH-CD 3.39Å; G748-R752 CarbonylContact C-O 3.44Å; G748-R752 WeakPolarHBondContact CA-O 2.78Å; S749-R752 PolarHBondContact N-O 3.4Å; S749-R752 CarbonylContact O-C 3.52Å; S749-R752 PolarHBondContact O-N 2.78Å
753	S	89.4	Confident	92.4	Very high	98 Å²	98	64.5 Å²	64.5	69%	0.685	34%	0.338	S	S	*	.			trans	-61.2	153.5	171.1	50.7	0	0	0	0	112.1
754	G	90.2	Very high	92.2	Very high	42 Å²	42	63.2 Å²	63.2	43%	0.433	33%	0.332	S	S	.	.			trans	-63.4	149.3	172	0	0	0	0	0	111.6	Q746	Q746-G754 CarbonylContact O-C 3.51Å; Q746-G754 WeakPolarHBondContact O-CA 2.79Å
755	K	93	Very high	91.9	Very high	86 Å²	86	65.7 Å²	65.7	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.1	-176.3	-69.2	-177.9	175.1	-175.8	0	110.7	P677 Y745 Q746 L757	P677-K755 HydrophobicContact CB-CD 3.51Å; P677-K755 HydrophobicContact CG-CB 3.99Å; P677-K755 HydrophobicContact CG-CD 3.64Å; P677-K755 HydrophobicContact CG-CG 4.44Å; Y745-K755 WeakPolarHBondContact CA-O 3.28Å; Q746-K755 PolarHBondContact N-O 3.39Å; Q746-K755 PolarHBondContact O-N 3.38Å; K755-L757 PolarHBondContact O-N 2.93Å
756	L	94.4	Very high	91.5	Very high	72 Å²	72	67.9 Å²	67.9	38%	0.377	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	128	166.7	178.1	65.1	0	0	0	108.9	E743 Y745	E743-L756 HydrophobicContact CB-CD1 3.81Å; E743-L756 HydrophobicContact CG-CD1 4.4Å; Y745-L756 HydrophobicContact CD1-CB 4.23Å; Y745-L756 HydrophobicContact CD2-CD1 4.45Å; Y745-L756 HydrophobicContact CE1-CB 3.81Å; Y745-L756 HydrophobicContact CE1-CD1 4.4Å; Y745-L756 HydrophobicContact CE2-CD1 4.1Å
757	L	93.7	Very high	91.2	Very high	14 Å²	14	67.7 Å²	67.7	7%	0.073	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-36.4	177.1	-51.6	-173.7	0	0	0	110.9	V674 L676 P677 L687 L744 Q746 K755	V674-L757 HydrophobicContact CG1-CB 4.39Å; V674-L757 HydrophobicContact CG1-CD1 3.51Å; L676-L757 HydrophobicContact CD2-CD1 4.49Å; P677-L757 HydrophobicContact CG-CD2 3.48Å; P677-L757 VanDerWaalsContact CG-CD2 3.48Å; L687-L757 HydrophobicContact CD2-CD1 3.52Å; L744-L757 HydrophobicContact CG-CD1 4.39Å; L744-L757 WeakPolarHBondContact O-CB 2.88Å; L744-L757 PolarHBondContact O-N 3.28Å; Q746-L757 HydrophobicContact CB-CD1 4.19Å; Q746-L757 HydrophobicContact CB-CD2 3.92Å; Q746-L757 HydrophobicContact CB-CG 4.29Å; K755-L757 PolarHBondContact O-N 2.93Å
758	G	94.9	Very high	91	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178	161.7	170.4	0	0	0	0	0	112	L744 V780	L744-G758 PolarHBondContact N-O 3.08Å; G758-V780 WeakPolarHBondContact CA-O 3.36Å
759	S	96.2	Very high	90.6	Very high	29 Å²	29	65.9 Å²	65.9	20%	0.203	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	154.8	175.8	-47.2	0	0	0	0	110.4	F742 E743 V780	F742-S759 CarbonylContact O-C 3.45Å; F742-S759 WeakPolarHBondContact O-CA 3.34Å; E743-S759 PolarHBondContact OE1-OG 2.69Å; S759-V780 PolarHBondContact N-O 2.91Å; S759-V780 PolarHBondContact O-N 2.81Å
760	A	95.9	Very high	90.5	Very high	11 Å²	11	65.2 Å²	65.2	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.6	175.2	0	0	0	0	0	110.5	K741 F742 L777 L779	K741-A760 WeakPolarHBondContact CA-O 3.31Å; F742-A760 PolarHBondContact N-O 2.94Å; F742-A760 PolarHBondContact O-N 3.45Å; A760-L777 HydrophobicContact CB-CB 3.84Å; A760-L777 HydrophobicContact CB-CD1 3.83Å; A760-L777 HydrophobicContact CB-CG 4.44Å; A760-L779 HydrophobicContact CB-CD2 4.37Å
761	E	95.6	Very high	90.5	Very high	100 Å²	100	58.1 Å²	58.1	47%	0.467	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	119.1	-178.3	-175.5	176.8	-174.8	0	0	110.4	G739 V740	G739-E761 PolarHBondContact N-OE1 2.83Å; V740-E761 CarbonylContact O-C 3.55Å; V740-E761 WeakPolarHBondContact O-CA 3.39Å
762	L	96.6	Very high	90.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	117.1	175.2	177.6	67.8	0	0	0	109.6	G739 V740 F742 I773 E775 L777 V792 A794	G739-L762 CarbonylContact C-O 3.03Å; G739-L762 WeakPolarHBondContact CA-O 3.4Å; V740-L762 PolarHBondContact N-O 3.3Å; V740-L762 PolarHBondContact O-N 3.37Å; F742-L762 HydrophobicContact CE2-CB 3.67Å; F742-L762 HydrophobicContact CZ-CB 4.48Å; L762-I773 HydrophobicContact CD1-CG2 3.91Å; L762-E775 HydrophobicContact CD1-CB 3.54Å; L762-L777 HydrophobicContact CB-CD1 4.18Å; L762-V792 HydrophobicContact CB-CG2 4.22Å; L762-V792 HydrophobicContact CD1-CG2 4.08Å; L762-V792 HydrophobicContact CD2-CG2 4Å; L762-V792 HydrophobicContact CG-CG2 4.34Å; L762-A794 HydrophobicContact CD2-CB 3.66Å
763	K	95.1	Very high	91	Very high	130 Å²	130	46.6 Å²	46.6	57%	0.565	25%	0.254	S	S	*	.			trans	-72.3	142.1	179.4	-65	169.8	-169.9	154.2	0	110.8	I773	K763-I773 VanDerWaalsContact O-CD1 3.25Å; K763-I773 WeakPolarHBondContact O-CD1 3.38Å
764	L	94.1	Very high	91.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.248	C	C	.	.			trans	-109.8	10.5	-174.5	-57.9	174	0	0	0	113.5	M664 F693 M735 V740 E766 L767 A794	M664-L764 HydrophobicContact CE-CD1 4.26Å; M664-L764 HydrophobicContact SD-CD1 4.36Å; M664-L764 HydrophobicContact SD-CD2 4.15Å; F693-L764 HydrophobicContact CD2-CD1 4.15Å; F693-L764 HydrophobicContact CE2-CD1 3.71Å; M735-L764 HydrophobicContact CB-CB 3.97Å; M735-L764 HydrophobicContact CE-CB 3.85Å; M735-L764 HydrophobicContact CE-CD1 4.05Å; M735-L764 HydrophobicContact CE-CG 4.45Å; M735-L764 HydrophobicContact CG-CB 4.31Å; M735-L764 HydrophobicContact CG-CD1 4.16Å; V740-L764 HydrophobicContact CG2-CD1 4.06Å; V740-L764 HydrophobicContact CG2-CD2 4.23Å; L764-E766 VanDerWaalsContact C-N 3.31Å; L764-E766 PolarHBondContact O-N 3.23Å; L764-L767 HydrophobicContact CB-CD1 4.42Å; L764-L767 HydrophobicContact CD2-CD1 4.03Å; L764-L767 WeakPolarHBondContact O-CB 3.38Å; L764-L767 PolarHBondContact O-N 2.86Å; L764-A794 HydrophobicContact CD2-CB 4.47Å
765	C	89.9	Confident	91.4	Very high	52 Å²	52	49 Å²	49	35%	0.351	24%	0.243	S	C	.	.	S	Bend	trans	-70.4	-23.3	-179.7	51.5	0	0	0	0	113.9	L767 E768	C765-L767 VanDerWaalsContact C-N 3.29Å; C765-L767 PolarHBondContact O-N 2.84Å; C765-E768 WeakPolarHBondContact O-CB 3.33Å; C765-E768 VanDerWaalsContact O-CG 3.28Å; C765-E768 WeakPolarHBondContact O-CG 3.35Å; C765-E768 PolarHBondContact O-N 2.84Å
766	E	86.7	Confident	91.5	Very high	104 Å²	104	48.2 Å²	48.2	49%	0.486	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-73.1	-25.3	178	-69.1	164.2	-156.3	0	0	111.5	L764 E768 S769 E770 I773	L764-E766 VanDerWaalsContact C-N 3.31Å; L764-E766 PolarHBondContact O-N 3.23Å; E766-E768 PolarHBondContact O-N 3.21Å; E766-S769 PolarHBondContact O-N 2.89Å; E766-S769 VanDerWaalsContact O-N 3.07Å; E766-E770 HydrophobicContact CB-CG 4.17Å; E766-E770 VanDerWaalsContact O-CB 3.28Å; E766-E770 WeakPolarHBondContact O-CB 3.45Å; E766-E770 WeakPolarHBondContact O-CG 3.45Å; E766-E770 PolarHBondContact O-N 2.89Å; E766-I773 HydrophobicContact CB-CD1 3.72Å; E766-I773 HydrophobicContact CB-CG1 3.91Å
767	L	89.3	Confident	91.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-63.7	-1.9	173.7	-63.5	-175.8	0	0	0	114.8	M664 M735 L764 C765 S769 E770 I773 I796 L800	M664-L767 HydrophobicContact SD-CD1 3.9Å; M735-L767 HydrophobicContact CE-CB 4.41Å; M735-L767 HydrophobicContact CE-CD1 3.69Å; L764-L767 HydrophobicContact CB-CD1 4.42Å; L764-L767 HydrophobicContact CD2-CD1 4.03Å; L764-L767 WeakPolarHBondContact O-CB 3.38Å; L764-L767 PolarHBondContact O-N 2.86Å; C765-L767 VanDerWaalsContact C-N 3.29Å; C765-L767 PolarHBondContact O-N 2.84Å; L767-S769 VanDerWaalsContact C-N 3.33Å; L767-E770 CarbonylContact C-O 3.57Å; L767-E770 WeakPolarHBondContact CA-O 3.18Å; L767-I773 HydrophobicContact CD2-CD1 4.03Å; L767-I773 HydrophobicContact CD2-CG1 3.85Å; L767-I773 HydrophobicContact CG-CD1 3.77Å; L767-I773 HydrophobicContact CG-CG1 4.18Å; L767-I796 HydrophobicContact CB-CD1 3.85Å; L767-I796 HydrophobicContact CD1-CD1 4.33Å; L767-I796 HydrophobicContact CD1-CG2 4.04Å; L767-I796 HydrophobicContact CD2-CD1 4.13Å; L767-I796 HydrophobicContact CD2-CG1 4.14Å; L767-I796 HydrophobicContact CG-CD1 4.31Å; L767-L800 HydrophobicContact CB-CD1 4.09Å; L767-L800 WeakPolarHBondContact O-CB 3.44Å; L767-L800 WeakPolarHBondContact O-CG 3.37Å; L767-L800 PolarHBondContact O-N 2.87Å
768	E	87.1	Confident	91.7	Very high	36 Å²	36	48.1 Å²	48.1	17%	0.168	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-71.5	-28.4	169.5	-63.9	-176.4	-132.9	0	0	113	K736 C765 E766 L801 H802	K736-E768 WeakPolarHBondContact CE-OE1 3.49Å; K736-E768 WeakPolarHBondContact CE-OE2 3.31Å; K736-E768 WeakPolarHBondContact CG-OE1 3.29Å; K736-E768 IonicContact NZ-OE1 3.58Å; K736-E768 IonicContact NZ-OE2 3.67Å; K736-E768 PolarHBondContact NZ-OE2 2.82Å; C765-E768 WeakPolarHBondContact O-CB 3.33Å; C765-E768 VanDerWaalsContact O-CG 3.28Å; C765-E768 WeakPolarHBondContact O-CG 3.35Å; C765-E768 PolarHBondContact O-N 2.84Å; E766-E768 PolarHBondContact O-N 3.21Å; E768-L801 HydrophobicContact CB-CD1 4.22Å; E768-L801 HydrophobicContact CG-CD1 3.77Å; E768-L801 PolarHBondContact O-N 2.87Å; E768-H802 PolarHBondContact O-N 2.85Å
769	S	80.1	Confident	91.7	Very high	47 Å²	47	48.1 Å²	48.1	33%	0.329	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-19.9	-176.3	54.9	0	0	0	0	114.2	K654 E766 L767	K654-S769 PolarHBondContact NZ-O 3.19Å; E766-S769 PolarHBondContact O-N 2.89Å; E766-S769 VanDerWaalsContact O-N 3.07Å; L767-S769 VanDerWaalsContact C-N 3.33Å
770	E	82.2	Confident	91.7	Very high	73 Å²	73	49.5 Å²	49.5	34%	0.341	26%	0.256	S	S	.	.			trans	-95.1	167.3	167.4	-53.6	-55.5	112.9	0	0	110.4	K654 E766 L767 E772	K654-E770 IonicContact NZ-OE1 2.64Å; K654-E770 PolarHBondContact NZ-OE1 3.13Å; K654-E770 IonicContact NZ-OE2 3.76Å; K654-E770 PolarHBondContact NZ-OE2 3.05Å; E766-E770 HydrophobicContact CB-CG 4.17Å; E766-E770 VanDerWaalsContact O-CB 3.28Å; E766-E770 WeakPolarHBondContact O-CB 3.45Å; E766-E770 WeakPolarHBondContact O-CG 3.45Å; E766-E770 PolarHBondContact O-N 2.89Å; L767-E770 CarbonylContact C-O 3.57Å; L767-E770 WeakPolarHBondContact CA-O 3.18Å; E770-E772 WeakPolarHBondContact CB-O 3.35Å
771	C	86.1	Confident	91.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	26%	0.259	C	S	.	.	S	Bend	trans	-122.3	3.7	164.9	-54.1	0	0	0	0	112.2	K654 F656 L795 I796 P799	K654-C771 HydrophobicContact CB-CB 3.78Å; K654-C771 WeakPolarHBondContact CB-SG 3.44Å; K654-C771 WeakPolarHBondContact O-CB 3.36Å; K654-C771 PolarHBondContact O-SG 3.42Å; K654-C771 VanDerWaalsContact O-SG 3.34Å; F656-C771 HydrophobicContact CD2-CB 4Å; F656-C771 HydrophobicContact CE2-CB 3.94Å; C771-L795 VanDerWaalsContact O-CA 3.32Å; C771-L795 WeakPolarHBondContact O-CA 3.45Å; C771-I796 HydrophobicContact CB-CG1 4.02Å; C771-I796 WeakPolarHBondContact CB-O 2.96Å; C771-I796 PolarHBondContact O-N 3.07Å; C771-P799 WeakPolarHBondContact SG-CD 3.07Å
772	E	88.8	Confident	91.1	Very high	72 Å²	72	52.6 Å²	52.6	34%	0.336	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.9	179.9	174.8	167.5	147.1	0	0	108.2	F656 E770 K793 A794 L795	F656-E772 HydrophobicContact CE2-CB 4.24Å; F656-E772 HydrophobicContact CZ-CB 4.31Å; E770-E772 WeakPolarHBondContact CB-O 3.35Å; E772-K793 HydrophobicContact CG-CD 4.45Å; E772-K793 WeakPolarHBondContact OE1-CE 3.43Å; E772-K793 IonicContact OE1-NZ 2.71Å; E772-K793 PolarHBondContact OE1-NZ 3.3Å; E772-K793 VanDerWaalsContact OE2-CE 3.24Å; E772-K793 WeakPolarHBondContact OE2-CE 3.45Å; E772-K793 IonicContact OE2-NZ 2.67Å; E772-K793 PolarHBondContact OE2-NZ 3.47Å; E772-A794 CarbonylContact C-O 3.53Å; E772-A794 VanDerWaalsContact CA-O 3.3Å; E772-A794 WeakPolarHBondContact CA-O 3.48Å; E772-L795 HydrophobicContact CB-CD2 3.65Å; E772-L795 HydrophobicContact CG-CD2 3.69Å; E772-L795 WeakPolarHBondContact OE2-CD2 3.48Å
773	I	91.4	Very high	90.7	Very high	9 Å²	9	62.5 Å²	62.5	5%	0.046	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.6	164.2	-53.9	175.3	0	0	0	106.6	L762 K763 E766 L767 K793 A794	L762-I773 HydrophobicContact CD1-CG2 3.91Å; K763-I773 VanDerWaalsContact O-CD1 3.25Å; K763-I773 WeakPolarHBondContact O-CD1 3.38Å; E766-I773 HydrophobicContact CB-CD1 3.72Å; E766-I773 HydrophobicContact CB-CG1 3.91Å; L767-I773 HydrophobicContact CD2-CD1 4.03Å; L767-I773 HydrophobicContact CD2-CG1 3.85Å; L767-I773 HydrophobicContact CG-CD1 3.77Å; L767-I773 HydrophobicContact CG-CG1 4.18Å; I773-K793 CarbonylContact O-C 3.47Å; I773-K793 WeakPolarHBondContact O-CA 3.37Å; I773-A794 PolarHBondContact N-O 3.22Å; I773-A794 PolarHBondContact O-N 3.08Å
774	E	93.9	Very high	90.6	Very high	118 Å²	118	63.7 Å²	63.7	55%	0.551	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	118.9	164.8	-176.1	172.7	157.1	0	0	109.2	V792 K793	E774-V792 WeakPolarHBondContact CA-O 3.47Å; E774-K793 HydrophobicContact CB-CB 4.22Å; E774-K793 HydrophobicContact CB-CD 4.47Å; E774-K793 HydrophobicContact CB-CG 4.49Å; E774-K793 HydrophobicContact CG-CB 4.23Å
775	E	94.8	Very high	90.5	Very high	72 Å²	72	68.6 Å²	68.6	34%	0.336	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.2	-178.1	-158.6	-178.3	170.8	0	0	111.5	L762 L777 V792	L762-E775 HydrophobicContact CD1-CB 3.54Å; E775-L777 HydrophobicContact CB-CD2 4.08Å; E775-L777 HydrophobicContact CG-CD2 3.83Å; E775-L777 PolarHBondContact O-N 2.91Å; E775-L777 WeakPolarHBondContact OE2-CD2 3.24Å; E775-V792 PolarHBondContact N-O 2.93Å; E775-V792 PolarHBondContact O-N 2.89Å
776	T	95.6	Very high	90.6	Very high	70 Å²	70	67.6 Å²	67.6	43%	0.429	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	87	170.8	-59.9	0	0	0	0	109.6	K789 L790 I791	T776-K789 HydrophobicContact CG2-CB 4.06Å; T776-K789 HydrophobicContact CG2-CD 3.8Å; T776-K789 HydrophobicContact CG2-CG 4.32Å; T776-L790 CarbonylContact C-O 3.51Å; T776-I791 HydrophobicContact CG2-CG1 3.91Å
777	L	95.8	Very high	90.7	Very high	9 Å²	9	66.9 Å²	66.9	5%	0.047	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	143.9	-176.8	-56.4	176.2	0	0	0	112.1	F742 A760 L762 E775 K789 L790 V792	F742-L777 HydrophobicContact CD2-CD1 3.94Å; F742-L777 HydrophobicContact CE2-CD1 4.2Å; A760-L777 HydrophobicContact CB-CB 3.84Å; A760-L777 HydrophobicContact CB-CD1 3.83Å; A760-L777 HydrophobicContact CB-CG 4.44Å; L762-L777 HydrophobicContact CB-CD1 4.18Å; E775-L777 HydrophobicContact CB-CD2 4.08Å; E775-L777 HydrophobicContact CG-CD2 3.83Å; E775-L777 PolarHBondContact O-N 2.91Å; E775-L777 WeakPolarHBondContact OE2-CD2 3.24Å; L777-K789 WeakPolarHBondContact O-CA 3.44Å; L777-L790 PolarHBondContact N-O 2.86Å; L777-L790 PolarHBondContact O-N 2.82Å; L777-V792 HydrophobicContact CD1-CG2 3.61Å; L777-V792 HydrophobicContact CG-CG2 4.04Å
778	T	95.7	Very high	90.8	Very high	75 Å²	75	67.3 Å²	67.3	46%	0.46	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.4	169.6	54.5	0	0	0	0	110.6
779	L	95.5	Very high	91.1	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	137	179.9	-65.3	175	0	0	0	111.1	L744 A760 V785 V786 G788 L790	L744-L779 HydrophobicContact CB-CD2 4.37Å; L744-L779 HydrophobicContact CD2-CD1 3.6Å; A760-L779 HydrophobicContact CB-CD2 4.37Å; L779-V785 WeakPolarHBondContact O-CA 3.43Å; L779-V786 HydrophobicContact CB-CB 4.48Å; L779-V786 PolarHBondContact O-N 2.87Å; L779-G788 PolarHBondContact N-O 2.83Å; L779-L790 HydrophobicContact CD2-CB 4.23Å
780	V	94.9	Very high	91.9	Very high	57 Å²	57	68.6 Å²	68.6	35%	0.345	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.5	179.2	-179.7	0	0	0	0	110.3	G758 S759 K784 V785	G758-V780 WeakPolarHBondContact CA-O 3.36Å; S759-V780 PolarHBondContact N-O 2.91Å; S759-V780 PolarHBondContact O-N 2.81Å; V780-K784 CarbonylContact C-O 3.52Å; V780-K784 WeakPolarHBondContact CA-O 3.46Å; V780-K784 WeakPolarHBondContact CG1-O 3.2Å; V780-V785 HydrophobicContact CG2-CG2 4.45Å
781	A	92.2	Very high	92.6	Very high	18 Å²	18	65.9 Å²	65.9	15%	0.149	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.8	171.1	0	0	0	0	0	110.2	K783 K784 V786	A781-K783 PolarHBondContact O-N 3.17Å; A781-K783 VanDerWaalsContact O-N 3.12Å; A781-K784 PolarHBondContact N-O 3.47Å; A781-K784 PolarHBondContact O-N 3.08Å; A781-V786 HydrophobicContact CB-CG2 3.53Å
782	N	88.4	Confident	93.1	Very high	159 Å²	159	65.9 Å²	65.9	85%	0.85	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	37.3	178.3	-57.5	-53.9	0	0	0	113.8	K784	N782-K784 PolarHBondContact O-N 2.82Å
783	K	88.2	Confident	93.4	Very high	207 Å²	207	64.4 Å²	64.4	90%	0.9	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	21.4	-175.3	-53.1	177.8	179.9	179.9	0	115.1	A781	A781-K783 PolarHBondContact O-N 3.17Å; A781-K783 VanDerWaalsContact O-N 3.12Å
784	K	92.8	Very high	93.6	Very high	156 Å²	156	64 Å²	64	68%	0.678	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.2	173.2	-59.7	-175.3	-176.2	-176.7	0	109.8	V780 A781 N782	V780-K784 CarbonylContact C-O 3.52Å; V780-K784 WeakPolarHBondContact CA-O 3.46Å; V780-K784 WeakPolarHBondContact CG1-O 3.2Å; A781-K784 PolarHBondContact N-O 3.47Å; A781-K784 PolarHBondContact O-N 3.08Å; N782-K784 PolarHBondContact O-N 2.82Å
785	V	91.8	Very high	93.5	Very high	104 Å²	104	58.8 Å²	58.8	63%	0.63	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	134	170.1	-175.3	0	0	0	0	108.5	L779 V780	L779-V785 WeakPolarHBondContact O-CA 3.43Å; V780-V785 HydrophobicContact CG2-CG2 4.45Å
786	V	91.7	Very high	93.3	Very high	31 Å²	31	55.4 Å²	55.4	19%	0.188	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	153.8	179.5	179.2	0	0	0	0	109	Q675 L779 A781 G788	Q675-V786 HydrophobicContact CB-CG1 4.44Å; L779-V786 HydrophobicContact CB-CB 4.48Å; L779-V786 PolarHBondContact O-N 2.87Å; A781-V786 HydrophobicContact CB-CG2 3.53Å; V786-G788 PolarHBondContact O-N 2.92Å; V786-G788 VanDerWaalsContact O-N 3.08Å
787	T	88	Confident	92.9	Very high	89 Å²	89	56.4 Å²	56.4	55%	0.546	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	108.7	169.7	-52.5	0	0	0	0	109.5	D673 Q675	D673-T787 CarbonylContact O-C 3.13Å; D673-T787 VanDerWaalsContact O-O 3.11Å; Q675-T787 PolarHBondContact N-O 3.14Å
788	G	91.1	Very high	92.3	Very high	9 Å²	9	59.8 Å²	59.8	9%	0.093	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.4	147.5	175.3	0	0	0	0	0	111.6	V672 D673 L779 V786	V672-G788 CarbonylContact O-C 3.58Å; V672-G788 VanDerWaalsContact O-CA 3.29Å; V672-G788 WeakPolarHBondContact O-CA 3.43Å; D673-G788 WeakPolarHBondContact O-CA 3.47Å; L779-G788 PolarHBondContact N-O 2.83Å; V786-G788 PolarHBondContact O-N 2.92Å; V786-G788 VanDerWaalsContact O-N 3.08Å
789	K	95	Very high	91.8	Very high	110 Å²	110	57.3 Å²	57.3	48%	0.478	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.1	175.9	-67.7	176.6	173	-171.5	0	110.2	A671 V672 T776 L777	A671-K789 CarbonylContact C-O 3.58Å; A671-K789 VanDerWaalsContact CA-O 3.25Å; A671-K789 WeakPolarHBondContact CA-O 3.36Å; V672-K789 PolarHBondContact N-O 3.32Å; V672-K789 PolarHBondContact O-N 3.24Å; T776-K789 HydrophobicContact CG2-CB 4.06Å; T776-K789 HydrophobicContact CG2-CD 3.8Å; T776-K789 HydrophobicContact CG2-CG 4.32Å; L777-K789 WeakPolarHBondContact O-CA 3.44Å
790	L	96.6	Very high	91.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.3	173.4	-171.5	72.5	0	0	0	108.8	V668 A671 V689 F716 F742 T776 L777 L779 V792	V668-L790 HydrophobicContact CG1-CD1 4.14Å; A671-L790 HydrophobicContact CB-CD1 3.88Å; V689-L790 HydrophobicContact CG1-CD2 4.39Å; V689-L790 HydrophobicContact CG2-CD1 3.99Å; F716-L790 HydrophobicContact CE2-CD1 4.35Å; F742-L790 HydrophobicContact CB-CD2 3.62Å; F742-L790 HydrophobicContact CD1-CD2 4.1Å; F742-L790 HydrophobicContact CG-CD2 3.88Å; T776-L790 CarbonylContact C-O 3.51Å; L777-L790 PolarHBondContact N-O 2.86Å; L777-L790 PolarHBondContact O-N 2.82Å; L779-L790 HydrophobicContact CD2-CB 4.23Å; L790-V792 HydrophobicContact CD2-CG1 3.76Å; L790-V792 HydrophobicContact CG-CG1 3.82Å
791	I	96.7	Very high	90.5	Very high	17 Å²	17	59 Å²	59	9%	0.087	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.6	178.2	-64.5	164.9	0	0	0	107.4	C669 R670 V672 T776	C669-I791 HydrophobicContact CB-CB 4.5Å; C669-I791 HydrophobicContact CB-CG2 4.12Å; C669-I791 WeakPolarHBondContact CB-O 3.31Å; C669-I791 PolarHBondContact N-O 3Å; R670-I791 HydrophobicContact CG-CB 4.25Å; R670-I791 HydrophobicContact CG-CD1 3.94Å; R670-I791 PolarHBondContact O-N 2.89Å; V672-I791 HydrophobicContact CG2-CD1 4.21Å; T776-I791 HydrophobicContact CG2-CG1 3.91Å
792	V	97.1	Very high	89.3	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.6	-176.7	-61.2	0	0	0	0	110.5	H667 F742 L762 E774 E775 L777 L790	H667-V792 VanDerWaalsContact O-CA 3.3Å; H667-V792 WeakPolarHBondContact O-CA 3.25Å; F742-V792 HydrophobicContact CD1-CG1 4.07Å; F742-V792 HydrophobicContact CD2-CG1 4.49Å; F742-V792 HydrophobicContact CE1-CB 4.33Å; F742-V792 HydrophobicContact CE1-CG1 3.75Å; F742-V792 HydrophobicContact CE2-CB 4.4Å; F742-V792 HydrophobicContact CE2-CG1 4.22Å; F742-V792 HydrophobicContact CE2-CG2 4.06Å; F742-V792 HydrophobicContact CG-CG1 4.43Å; F742-V792 HydrophobicContact CZ-CB 3.98Å; F742-V792 HydrophobicContact CZ-CG1 3.83Å; F742-V792 HydrophobicContact CZ-CG2 4.11Å; L762-V792 HydrophobicContact CB-CG2 4.22Å; L762-V792 HydrophobicContact CD1-CG2 4.08Å; L762-V792 HydrophobicContact CD2-CG2 4Å; L762-V792 HydrophobicContact CG-CG2 4.34Å; E774-V792 WeakPolarHBondContact CA-O 3.47Å; E775-V792 PolarHBondContact N-O 2.93Å; E775-V792 PolarHBondContact O-N 2.89Å; L777-V792 HydrophobicContact CD1-CG2 3.61Å; L777-V792 HydrophobicContact CG-CG2 4.04Å; L790-V792 HydrophobicContact CD2-CG1 3.76Å; L790-V792 HydrophobicContact CG-CG1 3.82Å
793	K	94.8	Very high	88.1	Confident	42 Å²	42	63.3 Å²	63.3	18%	0.183	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.7	176.5	166	167.8	171.7	156.2	0	110.4	V666 H667 E772 I773 E774 L795	V666-K793 CarbonylContact C-O 3.5Å; V666-K793 WeakPolarHBondContact CA-O 3.32Å; H667-K793 HydrophobicContact CB-CB 4.18Å; H667-K793 PolarHBondContact N-O 3.16Å; H667-K793 PolarHBondContact O-N 3.09Å; E772-K793 HydrophobicContact CG-CD 4.45Å; E772-K793 WeakPolarHBondContact OE1-CE 3.43Å; E772-K793 IonicContact OE1-NZ 2.71Å; E772-K793 PolarHBondContact OE1-NZ 3.3Å; E772-K793 VanDerWaalsContact OE2-CE 3.24Å; E772-K793 WeakPolarHBondContact OE2-CE 3.45Å; E772-K793 IonicContact OE2-NZ 2.67Å; E772-K793 PolarHBondContact OE2-NZ 3.47Å; I773-K793 CarbonylContact O-C 3.47Å; I773-K793 WeakPolarHBondContact O-CA 3.37Å; E774-K793 HydrophobicContact CB-CB 4.22Å; E774-K793 HydrophobicContact CB-CD 4.47Å; E774-K793 HydrophobicContact CB-CG 4.49Å; E774-K793 HydrophobicContact CG-CB 4.23Å; K793-L795 HydrophobicContact CG-CG 4.44Å
794	A	94.7	Very high	86.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.5	176.4	0	0	0	0	0	110.3	E665 V666 L762 L764 E772 I773	E665-A794 CarbonylContact O-C 3.41Å; E665-A794 WeakPolarHBondContact O-CA 3.24Å; V666-A794 HydrophobicContact CG2-CB 4.29Å; L762-A794 HydrophobicContact CD2-CB 3.66Å; L764-A794 HydrophobicContact CD2-CB 4.47Å; E772-A794 CarbonylContact C-O 3.53Å; E772-A794 VanDerWaalsContact CA-O 3.3Å; E772-A794 WeakPolarHBondContact CA-O 3.48Å; I773-A794 PolarHBondContact N-O 3.22Å; I773-A794 PolarHBondContact O-N 3.08Å
795	L	92.6	Very high	85.4	Confident	9 Å²	9	52 Å²	52	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.4	-176.4	-64.8	179.8	0	0	0	111.1	F656 I659 M664 E665 H667 C771 E772 K793	F656-L795 HydrophobicContact CD2-CD2 4.35Å; F656-L795 HydrophobicContact CE1-CD2 4.17Å; F656-L795 HydrophobicContact CE2-CD2 3.79Å; F656-L795 HydrophobicContact CZ-CD2 3.69Å; I659-L795 HydrophobicContact CD1-CB 3.43Å; I659-L795 VanDerWaalsContact CD1-CB 3.43Å; I659-L795 HydrophobicContact CD1-CD1 4.33Å; M664-L795 CarbonylContact C-O 3.35Å; M664-L795 VanDerWaalsContact CA-O 3.3Å; M664-L795 WeakPolarHBondContact CA-O 3.3Å; M664-L795 WeakPolarHBondContact CG-O 3.35Å; E665-L795 HydrophobicContact CB-CB 4.29Å; E665-L795 PolarHBondContact N-O 2.87Å; E665-L795 PolarHBondContact O-N 3.45Å; H667-L795 WeakPolarHBondContact NE2-CD1 3.12Å; C771-L795 VanDerWaalsContact O-CA 3.32Å; C771-L795 WeakPolarHBondContact O-CA 3.45Å; E772-L795 HydrophobicContact CB-CD2 3.65Å; E772-L795 HydrophobicContact CG-CD2 3.69Å; E772-L795 WeakPolarHBondContact OE2-CD2 3.48Å; K793-L795 HydrophobicContact CG-CG 4.44Å
796	I	91.3	Very high	84.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160	169.8	59	177.6	0	0	0	110.3	F656 M664 I724 L767 C771 E798 L800	F656-I796 WeakPolarHBondContact CD2-O 3.47Å; M664-I796 HydrophobicContact CB-CG2 3.79Å; M664-I796 HydrophobicContact CG-CG2 3.68Å; M664-I796 HydrophobicContact SD-CG2 4.36Å; I724-I796 HydrophobicContact CD1-CG2 4.03Å; L767-I796 HydrophobicContact CB-CD1 3.85Å; L767-I796 HydrophobicContact CD1-CD1 4.33Å; L767-I796 HydrophobicContact CD1-CG2 4.04Å; L767-I796 HydrophobicContact CD2-CD1 4.13Å; L767-I796 HydrophobicContact CD2-CG1 4.14Å; L767-I796 HydrophobicContact CG-CD1 4.31Å; C771-I796 HydrophobicContact CB-CG1 4.02Å; C771-I796 WeakPolarHBondContact CB-O 2.96Å; C771-I796 PolarHBondContact O-N 3.07Å; I796-E798 WeakPolarHBondContact CD1-O 3.39Å; I796-E798 PolarHBondContact O-N 2.83Å; I796-L800 HydrophobicContact CD1-CD1 4.27Å; I796-L800 HydrophobicContact CD1-CD2 4.02Å; I796-L800 HydrophobicContact CD1-CG 3.7Å
797	R	86.1	Confident	83.6	Confident	90 Å²	90	51 Å²	51	34%	0.34	27%	0.267	S	S	.	.	S	Bend	trans	-59.7	-44.7	-179.2	-172.1	-171.3	178	92.4	-5.4	114.2	S655 F656 P657 I659	S655-R797 VanDerWaalsContact CA-O 3.25Å; S655-R797 WeakPolarHBondContact CA-O 2.93Å; F656-R797 PolarHBondContact N-O 3.34Å; F656-R797 VanDerWaalsContact N-O 3.13Å; P657-R797 PolarHBondContact O-NH1 2.68Å; P657-R797 VanDerWaalsContact O-NH1 3.12Å; I659-R797 HydrophobicContact CB-CB 4.35Å; I659-R797 WeakPolarHBondContact O-CD 3.4Å; I659-R797 WeakPolarHBondContact O-CG 3.19Å; I659-R797 PolarHBondContact O-NH1 2.82Å
798	E	83.6	Confident	83	Confident	81 Å²	81	53.3 Å²	53.3	38%	0.379	27%	0.27	S	S	.	.	S	Bend	trans	-151.5	154.5	-172.7	-80.1	177	-126.3	0	0	110.6	I796 K803	I796-E798 WeakPolarHBondContact CD1-O 3.39Å; I796-E798 PolarHBondContact O-N 2.83Å; E798-K803 WeakPolarHBondContact OE2-CE 3.28Å; E798-K803 IonicContact OE2-NZ 2.91Å; E798-K803 PolarHBondContact OE2-NZ 2.8Å
799	P	85.2	Confident	82.4	Confident	22 Å²	22	57.8 Å²	57.8	14%	0.143	28%	0.284	C	S	.	.			trans	-76.4	138.5	-170.5	31.3	-32.4	0	0	0	111	C771 L801 K803	C771-P799 WeakPolarHBondContact SG-CD 3.07Å; P799-L801 PolarHBondContact O-N 3.39Å; P799-K803 HydrophobicContact CG-CG 3.78Å
800	L	83.9	Confident	81.9	Confident	23 Å²	23	58 Å²	58	12%	0.12	29%	0.286	C	S	.	.	S	Bend	trans	-72.2	-19.4	-160	-64.9	172	0	0	0	116	P726 M731 L732 M735 L767 I796	P726-L800 HydrophobicContact CB-CD2 3.9Å; P726-L800 HydrophobicContact CG-CD2 3.99Å; M731-L800 HydrophobicContact CE-CD2 4.26Å; L732-L800 HydrophobicContact CD2-CB 3.82Å; L732-L800 HydrophobicContact CD2-CD1 4.26Å; L732-L800 HydrophobicContact CD2-CD2 4.46Å; L732-L800 HydrophobicContact CD2-CG 4.41Å; M735-L800 HydrophobicContact CE-CD1 3.48Å; M735-L800 VanDerWaalsContact CE-CD1 3.48Å; M735-L800 HydrophobicContact SD-CD1 3.63Å; L767-L800 HydrophobicContact CB-CD1 4.09Å; L767-L800 WeakPolarHBondContact O-CB 3.44Å; L767-L800 WeakPolarHBondContact O-CG 3.37Å; L767-L800 PolarHBondContact O-N 2.87Å; I796-L800 HydrophobicContact CD1-CD1 4.27Å; I796-L800 HydrophobicContact CD1-CD2 4.02Å; I796-L800 HydrophobicContact CD1-CG 3.7Å
801	L	78.4	Confident	81.6	Confident	71 Å²	71	58.3 Å²	58.3	37%	0.372	29%	0.287	S	S	.	.	S	Bend	trans	-137.5	-46.2	179.7	-81.3	109.5	0	0	0	113.8	L732 E768 P799	L732-L801 HydrophobicContact CD1-CD1 4.42Å; L732-L801 HydrophobicContact CD2-CD1 4.12Å; E768-L801 HydrophobicContact CB-CD1 4.22Å; E768-L801 HydrophobicContact CG-CD1 3.77Å; E768-L801 PolarHBondContact O-N 2.87Å; P799-L801 PolarHBondContact O-N 3.39Å
802	H	67.9	Low	81.3	Confident	123 Å²	123	57.6 Å²	57.6	57%	0.569	28%	0.284	S	S	*	.			trans	-125.6	89.7	-165.8	-64.8	-41.1	0	0	0	111	E768 S804	E768-H802 PolarHBondContact O-N 2.85Å; H802-S804 VanDerWaalsContact C-N 3.32Å; H802-S804 PolarHBondContact O-N 3.23Å
803	K	62.1	Low	81	Confident	144 Å²	144	58 Å²	58	63%	0.626	29%	0.286	S	S	*	.			trans	-61.5	95.1	162.1	-67.3	-177.3	178.2	-172.8	0	108.8	E798 P799	E798-K803 WeakPolarHBondContact OE2-CE 3.28Å; E798-K803 IonicContact OE2-NZ 2.91Å; E798-K803 PolarHBondContact OE2-NZ 2.8Å; P799-K803 HydrophobicContact CG-CG 3.78Å
804	S	60.3	Low	80.8	Confident	45 Å²	45	56.1 Å²	56.1	32%	0.315	28%	0.278	S	S	.	.			trans	-55.1	137.8	160.8	38.8	0	0	0	0	108.1	S652 H802	S652-S804 WeakPolarHBondContact CB-O 3.44Å; S652-S804 PolarHBondContact OG-O 3.39Å; S652-S804 PolarHBondContact OG-OG 3.34Å; H802-S804 VanDerWaalsContact C-N 3.32Å; H802-S804 PolarHBondContact O-N 3.23Å
805	A	64.6	Low	80.2	Confident	80 Å²	80	58.5 Å²	58.5	66%	0.661	29%	0.291	S	S	*	.	S	Bend	trans	-75.5	-40.8	177.7	0	0	0	0	0	111.2	S652	S652-A805 PolarHBondContact N-O 3.38Å
806	N	72.4	Confident	78.7	Confident	80 Å²	80	59.2 Å²	59.2	43%	0.428	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.8	-179.2	-64.7	-47.2	0	0	0	111.4	F650 P651	F650-N806 CarbonylContact O-C 3.56Å; F650-N806 WeakPolarHBondContact O-CA 3.46Å; F650-N806 VanDerWaalsContact O-CB 3.3Å; F650-N806 WeakPolarHBondContact O-CB 3.24Å; F650-N806 PolarHBondContact O-OD1 3.12Å; P651-N806 WeakPolarHBondContact CA-OD1 3.27Å
807	V	72.5	Confident	76.7	Confident	34 Å²	34	61.3 Å²	61.3	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130	170.3	174.5	0	0	0	0	108.9	F650 S652 R809	F650-V807 PolarHBondContact N-O 2.83Å; F650-V807 PolarHBondContact O-N 3.2Å; S652-V807 VanDerWaalsContact OG-CG2 3.31Å; S652-V807 WeakPolarHBondContact OG-CG2 3.46Å; V807-R809 HydrophobicContact CG1-CG 4.14Å
808	F	75.5	Confident	74.3	Confident	139 Å²	139	59.9 Å²	59.9	61%	0.61	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	132.4	172.7	-63	-77.2	0	0	0	110.6	V550 W648	V550-F808 HydrophobicContact CB-CE1 4.19Å; V550-F808 HydrophobicContact CG1-CE1 4.38Å; V550-F808 HydrophobicContact CG2-CE1 4.02Å; W648-F808 CarbonylContact O-C 3.4Å; W648-F808 VanDerWaalsContact O-CA 3.29Å; W648-F808 WeakPolarHBondContact O-CA 3.42Å
809	R	79.3	Confident	72	Confident	103 Å²	103	63.1 Å²	63.1	39%	0.389	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149	175.8	-62	-173.4	178.6	-97.2	4.6	109.8	S647 W648 F650 V807 W811	S647-R809 CarbonylContact C-O 3.51Å; W648-R809 PolarHBondContact N-O 3.25Å; W648-R809 PolarHBondContact O-N 3.11Å; F650-R809 HydrophobicContact CD2-CB 4.26Å; F650-R809 HydrophobicContact CD2-CG 4.28Å; F650-R809 HydrophobicContact CE2-CB 4.25Å; V807-R809 HydrophobicContact CG1-CG 4.14Å; R809-W811 PolarHBondContact O-N 3.13Å
810	Q	84.8	Confident	69.4	Low	114 Å²	114	75 Å²	75	53%	0.533	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	115.2	165	-63.9	-55.2	-42.4	0	0	107.7	Y645 S647	Y645-Q810 HydrophobicContact CD1-CB 3.91Å; Y645-Q810 HydrophobicContact CG-CB 4.36Å; S647-Q810 PolarHBondContact OG-NE2 2.91Å; S647-Q810 PolarHBondContact OG-OE1 2.9Å
811	W	89	Confident	68.7	Low	6 Å²	6	77.6 Å²	77.6	2%	0.023	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.6	179.1	-155.6	-104.6	0	0	0	109	Q593 I596 L619 Y645 E646 W648 F650 R809	Q593-W811 HydrophobicContact CB-CH2 3.57Å; Q593-W811 HydrophobicContact CB-CZ2 3.67Å; Q593-W811 HydrophobicContact CB-CZ3 4.03Å; Q593-W811 HydrophobicContact CG-CD2 3.93Å; Q593-W811 HydrophobicContact CG-CE3 3.79Å; Q593-W811 HydrophobicContact CG-CH2 3.73Å; Q593-W811 HydrophobicContact CG-CZ2 3.82Å; Q593-W811 HydrophobicContact CG-CZ3 3.71Å; Q593-W811 VanDerWaalsContact NE2-NE1 3.18Å; I596-W811 HydrophobicContact CB-CH2 4.34Å; I596-W811 HydrophobicContact CB-CZ3 4.3Å; I596-W811 HydrophobicContact CD1-CZ3 4.04Å; I596-W811 HydrophobicContact CG2-CH2 4.24Å; I596-W811 HydrophobicContact CG2-CZ3 4.08Å; L619-W811 HydrophobicContact CD1-CZ2 4.22Å; L619-W811 HydrophobicContact CD2-CH2 4.26Å; L619-W811 HydrophobicContact CD2-CZ2 3.65Å; L619-W811 HydrophobicContact CG-CZ2 3.87Å; Y645-W811 WeakPolarHBondContact CA-O 3.27Å; E646-W811 PolarHBondContact N-O 3Å; E646-W811 PolarHBondContact O-N 2.91Å; W648-W811 HydrophobicContact CB-CB 4.02Å; W648-W811 HydrophobicContact CD2-CB 3.86Å; W648-W811 AromaticContact CD2-CD1 3.93Å; W648-W811 HydrophobicContact CD2-CD2 4.47Å; W648-W811 AromaticContact CD2-CG 3.82Å; W648-W811 HydrophobicContact CD2-CG 3.82Å; W648-W811 AromaticContact CE2-CD1 3.81Å; W648-W811 HydrophobicContact CE3-CD2 4.35Å; W648-W811 HydrophobicContact CE3-CG 4.12Å; W648-W811 HydrophobicContact CG-CB 3.59Å; W648-W811 HydrophobicContact CG-CG 4.07Å; W648-W811 AromaticContact CZ2-CD1 3.86Å; F650-W811 HydrophobicContact CE1-CH2 4.41Å; F650-W811 HydrophobicContact CE1-CZ3 4.3Å; F650-W811 HydrophobicContact CE2-CD2 4Å; F650-W811 AromaticContact CE2-CE3 3.3Å; F650-W811 HydrophobicContact CE2-CE3 3.3Å; F650-W811 HydrophobicContact CE2-CH2 4.38Å; F650-W811 AromaticContact CE2-CZ3 3.52Å; F650-W811 HydrophobicContact CE2-CZ3 3.52Å; F650-W811 AromaticContact CZ-CD2 3.62Å; F650-W811 HydrophobicContact CZ-CD2 3.62Å; F650-W811 AromaticContact CZ-CE3 3.28Å; F650-W811 HydrophobicContact CZ-CE3 3.28Å; F650-W811 HydrophobicContact CZ-CG 4.39Å; F650-W811 AromaticContact CZ-CH2 3.79Å; F650-W811 HydrophobicContact CZ-CH2 3.79Å; F650-W811 HydrophobicContact CZ-CZ2 4.12Å; F650-W811 AromaticContact CZ-CZ3 3.36Å; F650-W811 HydrophobicContact CZ-CZ3 3.36Å; R809-W811 PolarHBondContact O-N 3.13Å
812	L	91.8	Very high	68.2	Low	3 Å²	3	77.9 Å²	77.9	2%	0.016	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	133.1	173.7	176.7	60.5	0	0	0	109.5	L586 D589 L590 Q593 F643 Y645 I814	L586-L812 HydrophobicContact CB-CD2 4.34Å; L586-L812 HydrophobicContact CD2-CD1 3.75Å; L586-L812 HydrophobicContact CD2-CD2 3.59Å; L586-L812 HydrophobicContact CD2-CG 4.29Å; D589-L812 HydrophobicContact CB-CB 4.42Å; D589-L812 HydrophobicContact CB-CD2 3.64Å; L590-L812 HydrophobicContact CD1-CD2 4.48Å; L590-L812 HydrophobicContact CG-CD2 4.07Å; Q593-L812 PolarHBondContact NE2-O 3.03Å; F643-L812 HydrophobicContact CB-CD1 3.79Å; F643-L812 HydrophobicContact CD2-CD1 3.59Å; F643-L812 HydrophobicContact CG-CD1 3.96Å; Y645-L812 HydrophobicContact CD1-CB 4.14Å; Y645-L812 HydrophobicContact CE1-CB 3.76Å; Y645-L812 HydrophobicContact CE1-CD1 4.04Å; Y645-L812 HydrophobicContact CE1-CG 4.43Å; L812-I814 HydrophobicContact CD1-CD1 4.25Å; L812-I814 HydrophobicContact CD2-CD1 4.29Å; L812-I814 HydrophobicContact CG-CD1 4.16Å
813	I	90.3	Very high	68.2	Low	9 Å²	9	75.4 Å²	75.4	5%	0.046	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.7	173.2	-60.5	179.4	0	0	0	107.9	M486 F643 R644 E646 W648	M486-I813 HydrophobicContact CE-CG2 4.2Å; F643-I813 VanDerWaalsContact CA-O 3.29Å; F643-I813 WeakPolarHBondContact CA-O 3.39Å; R644-I813 PolarHBondContact N-O 2.76Å; R644-I813 PolarHBondContact O-N 3.41Å; E646-I813 HydrophobicContact CB-CD1 4.23Å; E646-I813 HydrophobicContact CG-CD1 3.94Å; E646-I813 WeakPolarHBondContact OE2-CD1 3.41Å; W648-I813 HydrophobicContact CZ2-CD1 4.13Å
814	I	89.6	Confident	68.5	Low	2 Å²	2	71.4 Å²	71.4	1%	0.01	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	113.4	173.1	-48.8	-57.4	0	0	0	109.1	K482 L586 L590 D626 F629 V630 P641 F643 L812 Q816	K482-I814 PolarHBondContact NZ-O 3.35Å; L586-I814 HydrophobicContact CD2-CD1 4.25Å; L590-I814 HydrophobicContact CD1-CD1 4.49Å; L590-I814 HydrophobicContact CD1-CG1 4.46Å; D626-I814 HydrophobicContact CB-CG1 3.95Å; F629-I814 HydrophobicContact CD1-CG2 3.93Å; F629-I814 HydrophobicContact CE1-CG2 3.74Å; V630-I814 HydrophobicContact CG2-CD1 4Å; V630-I814 HydrophobicContact CG2-CG1 4.08Å; P641-I814 HydrophobicContact CB-CG2 3.81Å; P641-I814 HydrophobicContact CG-CG2 3.86Å; F643-I814 HydrophobicContact CB-CD1 3.89Å; L812-I814 HydrophobicContact CD1-CD1 4.25Å; L812-I814 HydrophobicContact CD2-CD1 4.29Å; L812-I814 HydrophobicContact CG-CD1 4.16Å; I814-Q816 PolarHBondContact O-N 2.9Å
815	D	82.9	Confident	69	Low	50 Å²	50	73.1 Å²	73.1	27%	0.267	40%	0.397	S	S	.	.			trans	-84.2	99.6	177.7	-70.6	-39.4	0	0	0	109.3	K642 R644 G817	K642-D815 HydrophobicContact CB-CB 4.39Å; K642-D815 PolarHBondContact O-N 2.63Å; R644-D815 WeakPolarHBondContact CD-OD2 3.5Å; R644-D815 WeakPolarHBondContact CG-OD2 3.39Å; R644-D815 IonicContact CZ-OD1 2.74Å; R644-D815 VanDerWaalsContact NE-CG 3.27Å; R644-D815 IonicContact NE-OD1 3.48Å; R644-D815 PolarHBondContact NE-OD1 3.04Å; R644-D815 IonicContact NE-OD2 3.87Å; R644-D815 PolarHBondContact NE-OD2 3.12Å; R644-D815 IonicContact NH2-OD1 3.57Å; R644-D815 PolarHBondContact NH2-OD1 2.85Å; R644-D815 VanDerWaalsContact NH2-OD1 3.14Å; D815-G817 PolarHBondContact O-N 2.89Å
816	Q	62	Low	69.3	Low	24 Å²	24	72.6 Å²	72.6	11%	0.112	38%	0.379	C	S	.	.			trans	-76.3	54.1	172.9	-63.7	-164	8.9	0	0	112.2	F629 I814 G818	F629-Q816 HydrophobicContact CD1-CG 4.49Å; F629-Q816 HydrophobicContact CE1-CG 3.97Å; F629-Q816 HydrophobicContact CZ-CG 4.15Å; I814-Q816 PolarHBondContact O-N 2.9Å; Q816-G818 PolarHBondContact O-N 3.02Å
817	G	49.5	Very low	69.1	Low	44 Å²	44	72.1 Å²	72.1	45%	0.454	38%	0.375	S	S	.	.			trans	-76.6	109.2	169	0	0	0	0	0	109.9	D815	D815-G817 PolarHBondContact O-N 2.89Å
818	G	35.6	Very low	68.9	Low	61 Å²	61	75 Å²	75	63%	0.629	39%	0.389	S	S	*	.			trans	-58.5	136.7	-173.2	0	0	0	0	0	113.7	Q816	Q816-G818 PolarHBondContact O-N 3.02Å
819	E	34.4	Very low	68.3	Low	148 Å²	148	69.7 Å²	69.7	69%	0.692	37%	0.37	S	S	*	.			trans	-87.9	164.3	151.8	-67.2	-177	164.6	0	0	108.7	K642	K642-E819 WeakPolarHBondContact CE-OE1 3.49Å; K642-E819 IonicContact NZ-OE1 2.72Å; K642-E819 PolarHBondContact NZ-OE1 3.34Å
820	Q	30.5	Very low	67.3	Low	272 Å²	272	66.6 Å²	66.6	100%	1.271	37%	0.368	S	S	*	.			trans	-74.5	0	-147.5	-64.6	175.9	-11.7	0	0	115.6

Retrieved 820 of 820 residues in 294 ms (Link to these results)

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