A0A5K4F936_SCHMA Loading...

Peptidase_M13_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F936, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 873 aa.

						>A0A5K4F936_SCHMA|A0A5K4F936
MILKNLPKRQKLILSILVIGAICASVVSTIFLVRHLKSNTNKLSPATAAPVLITEVKEPVKELSPATKTPVLINEVKEPVEELSPATKTPVLINEVKEPVEELSPATKTPVLINEVKEPVEELSPATKTPVLINEVKEPVEELSPATKTPVLINEVKEPVEELSPATKTPVLINEVKEPVEDEDLSPPTAAPVLINEVKEPVKDEDLSPPTAAPVLINEVKEPVEELSPATKTPVLINEVKEPVEGVVDLPNQFACLDYLASSCSDNLTDDAASHPTGVADNFIINLLNNTNNPDDSRFMSAVNYYKSCTDSPNAEISVIENEVIKLIITLFKGWYLTNAYDKIPFAVKNNLLRDETFSLTSLLLPLLLQSGSTTLFSLKLVNDDNPRIDISLGSLEAFDAVAPSMSDGKKINAAEQLFAYLKKLGPLKDKKNIIKDVLQLHSQIKSAIQPSGSVSKVTTEKLLEICPLIDWNVLFESIFRELKYESYKNMEIIVHDQDSLRKVCDIHATAMETNNGRKNLHAMTTISFLFNIKNILNRYFPEFYPSTIPKKPTSCIDEVKENFRWTIEKYHKYSSINESTKTQVFQMFEQLKTTLSYSLSSMSWLDEDEKKESINLANSFHLSIITSKSLSAEDRESRDFIFTNEISEDDYFMNVYYSQKTKFLKSIYKSLDTNAEPDAFTFMPYISGSAENKLIKISAGLLNPPYLKEGYSMSEKYGTIGWFIGRQLMYEVNNNKEEDNHGNSQSSCMSEEATDSEAQICCLQEQDSFKDYNKTDLRSLSADINGLMLSFKTYASDGDLDGKKLFFSSFAKMMCTRYSADVITTNLQSSNSRYKFSVNEILKHSQEFSNIHRCSSGSKMNPENKCLLWSEA
					

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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	37.1	Very low	51.8	Low	231 Å²	231	132.8 Å²	132.8	100%	1.138	63%	0.63	S	S	*	*				0	-33.4	0	-97.6	159.4	158.6	0	0	114.2	L3 K4	M1-L3 PolarHBondContact O-N 3.47Å; M1-L3 VanDerWaalsContact O-N 3.11Å; M1-K4 PolarHBondContact O-N 3.03Å
2	I	40.2	Very low	52.5	Low	110 Å²	110	131 Å²	131	56%	0.564	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-60.2	-22.3	-176.6	-60	169.9	0	0	0	114.5	K4 L132	I2-K4 PolarHBondContact O-N 3.41Å; I2-L132 HydrophobicContact CD1-CD2 4.43Å
3	L	42.9	Very low	52.7	Low	86 Å²	86	128.3 Å²	128.3	45%	0.45	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-63.8	-12.1	177.9	-82.8	164.1	0	0	0	114.7	M1 K11	M1-L3 PolarHBondContact O-N 3.47Å; M1-L3 VanDerWaalsContact O-N 3.11Å; L3-K11 HydrophobicContact CD2-CB 4.3Å; L3-K11 HydrophobicContact CD2-CG 4.16Å; L3-K11 VanDerWaalsContact O-CD 3.28Å; L3-K11 WeakPolarHBondContact O-CD 3.28Å; L3-K11 WeakPolarHBondContact O-CE 3.22Å; L3-K11 PolarHBondContact O-NZ 3.4Å
4	K	47.1	Very low	53	Low	178 Å²	178	124.9 Å²	124.9	77%	0.774	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-71.1	-35.9	-178.5	-92.1	-177	176	179.9	0	113.3	M1 I2 K11	M1-K4 PolarHBondContact O-N 3.03Å; I2-K4 PolarHBondContact O-N 3.41Å; K4-K11 PolarHBondContact O-NZ 3.07Å; K4-K11 VanDerWaalsContact O-NZ 3.07Å
5	N	53.9	Low	53.4	Low	156 Å²	156	119.5 Å²	119.5	83%	0.834	58%	0.583	S	S	*	*	S	Bend	trans	-94.7	-2.9	-170.2	-68.3	-9.5	0	0	0	115.5
6	L	45.6	Very low	53.4	Low	50 Å²	50	118.8 Å²	118.8	26%	0.262	58%	0.581	S	S	.	*	S	Bend	trans	-80.2	140.1	177.7	-78.8	158.3	0	0	0	112.2	Q10 K11 L14	L6-Q10 HydrophobicContact CB-CB 4.42Å; L6-Q10 HydrophobicContact CD2-CB 3.97Å; L6-K11 HydrophobicContact CB-CG 3.82Å; L6-K11 WeakPolarHBondContact O-CE 3.39Å; L6-L14 HydrophobicContact CD1-CD2 4.2Å
7	P	65.9	Low	53.2	Low	81 Å²	81	118.4 Å²	118.4	53%	0.526	58%	0.581	S	S	.	*			trans	-49.6	142.2	164.3	-25.2	31.2	0	0	0	111.9	R9 Q10 K11	P7-R9 PolarHBondContact O-N 3.41Å; P7-Q10 PolarHBondContact O-N 3.15Å; P7-K11 PolarHBondContact O-N 3.11Å
8	K	66	Low	53.3	Low	191 Å²	191	115.8 Å²	115.8	83%	0.83	57%	0.573	S	S	*	*	H	α-helix	trans	-47.4	-39	-176.7	-94.6	-177.9	175.7	177.2	0	113.8	K11 L12	K8-K11 PolarHBondContact O-N 3.26Å; K8-L12 PolarHBondContact O-N 3.01Å; K8-L12 VanDerWaalsContact O-N 3.17Å
9	R	59.3	Low	53.1	Low	210 Å²	210	115.1 Å²	115.1	79%	0.792	57%	0.571	S	S	*	*	H	α-helix	trans	-68.4	-39.2	-178.3	-142.7	178.3	-171.6	-176.2	1.8	112.2	P7 L12 I13	P7-R9 PolarHBondContact O-N 3.41Å; R9-L12 PolarHBondContact O-N 3Å; R9-I13 WeakPolarHBondContact O-CG1 3.16Å; R9-I13 PolarHBondContact O-N 2.86Å
10	Q	55.9	Low	52.8	Low	103 Å²	103	111.3 Å²	111.3	48%	0.481	56%	0.562	S	S	.	*	H	α-helix	trans	-72.7	-35.4	175.5	-74.7	178.4	-27.1	0	0	111.9	L6 P7 L12 I13 L14	L6-Q10 HydrophobicContact CB-CB 4.42Å; L6-Q10 HydrophobicContact CD2-CB 3.97Å; P7-Q10 PolarHBondContact O-N 3.15Å; Q10-L12 VanDerWaalsContact C-N 3.29Å; Q10-L12 PolarHBondContact O-N 3.02Å; Q10-I13 PolarHBondContact O-N 3.39Å; Q10-L14 WeakPolarHBondContact O-CB 2.94Å; Q10-L14 PolarHBondContact O-N 3.04Å
11	K	56	Low	52.4	Low	65 Å²	65	109 Å²	109	28%	0.283	56%	0.561	S	S	.	*	H	α-helix	trans	-57.1	-44.2	171.5	-66.1	-168.5	-159.2	-158.8	0	111.8	L3 K4 L6 P7 K8 S15	L3-K11 HydrophobicContact CD2-CB 4.3Å; L3-K11 HydrophobicContact CD2-CG 4.16Å; L3-K11 VanDerWaalsContact O-CD 3.28Å; L3-K11 WeakPolarHBondContact O-CD 3.28Å; L3-K11 WeakPolarHBondContact O-CE 3.22Å; L3-K11 PolarHBondContact O-NZ 3.4Å; K4-K11 PolarHBondContact O-NZ 3.07Å; K4-K11 VanDerWaalsContact O-NZ 3.07Å; L6-K11 HydrophobicContact CB-CG 3.82Å; L6-K11 WeakPolarHBondContact O-CE 3.39Å; P7-K11 PolarHBondContact O-N 3.11Å; K8-K11 PolarHBondContact O-N 3.26Å; K11-S15 VanDerWaalsContact O-CB 3.25Å; K11-S15 WeakPolarHBondContact O-CB 3.47Å; K11-S15 PolarHBondContact O-N 3.43Å; K11-S15 PolarHBondContact O-OG 2.65Å
12	L	60.2	Low	52.7	Low	111 Å²	111	102.3 Å²	102.3	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-65.5	-45.7	-179.5	-166.6	75	0	0	0	111.1	K8 R9 Q10 S15 I16	K8-L12 PolarHBondContact O-N 3.01Å; K8-L12 VanDerWaalsContact O-N 3.17Å; R9-L12 PolarHBondContact O-N 3Å; Q10-L12 VanDerWaalsContact C-N 3.29Å; Q10-L12 PolarHBondContact O-N 3.02Å; L12-S15 PolarHBondContact O-N 2.86Å; L12-I16 HydrophobicContact CD2-CD1 4.41Å; L12-I16 HydrophobicContact CG-CD1 3.92Å; L12-I16 WeakPolarHBondContact O-CB 3.17Å; L12-I16 WeakPolarHBondContact O-CD1 2.98Å; L12-I16 WeakPolarHBondContact O-CG1 2.86Å; L12-I16 PolarHBondContact O-N 2.96Å
13	I	55.3	Low	52.7	Low	96 Å²	96	100.9 Å²	100.9	49%	0.492	53%	0.527	S	S	.	.	H	α-helix	trans	-63.6	-45.5	178.9	-65.9	165.8	0	0	0	111	R9 Q10 I16 L17	R9-I13 WeakPolarHBondContact O-CG1 3.16Å; R9-I13 PolarHBondContact O-N 2.86Å; Q10-I13 PolarHBondContact O-N 3.39Å; I13-I16 PolarHBondContact O-N 3.37Å; I13-L17 HydrophobicContact CG2-CD1 3.9Å; I13-L17 WeakPolarHBondContact O-CB 3.42Å; I13-L17 WeakPolarHBondContact O-CG 3.26Å; I13-L17 PolarHBondContact O-N 3.34Å
14	L	56	Low	52.6	Low	81 Å²	81	100.9 Å²	100.9	42%	0.424	54%	0.539	S	S	.	.	H	α-helix	trans	-66.6	-39.6	178.9	-159.9	76.2	0	0	0	111.4	L6 Q10 L17 V18	L6-L14 HydrophobicContact CD1-CD2 4.2Å; Q10-L14 WeakPolarHBondContact O-CB 2.94Å; Q10-L14 PolarHBondContact O-N 3.04Å; L14-L17 PolarHBondContact O-N 3.48Å; L14-V18 WeakPolarHBondContact O-CB 3.26Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.35Å; L14-V18 PolarHBondContact O-N 2.92Å
15	S	59.1	Low	52.3	Low	44 Å²	44	93.8 Å²	93.8	31%	0.308	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-40.7	175	-56.6	0	0	0	0	111.4	K11 L12 V18 I19	K11-S15 VanDerWaalsContact O-CB 3.25Å; K11-S15 WeakPolarHBondContact O-CB 3.47Å; K11-S15 PolarHBondContact O-N 3.43Å; K11-S15 PolarHBondContact O-OG 2.65Å; L12-S15 PolarHBondContact O-N 2.86Å; S15-V18 PolarHBondContact O-N 3.27Å; S15-I19 WeakPolarHBondContact O-CB 3.21Å; S15-I19 WeakPolarHBondContact O-CD1 3.16Å; S15-I19 WeakPolarHBondContact O-CG1 3.36Å; S15-I19 PolarHBondContact O-N 3.12Å
16	I	54	Low	51.3	Low	107 Å²	107	91.2 Å²	91.2	55%	0.549	50%	0.502	S	S	.	.	H	α-helix	trans	-66.8	-39	175.4	-69	166.1	0	0	0	111	L12 I13 G20	L12-I16 HydrophobicContact CD2-CD1 4.41Å; L12-I16 HydrophobicContact CG-CD1 3.92Å; L12-I16 WeakPolarHBondContact O-CB 3.17Å; L12-I16 WeakPolarHBondContact O-CD1 2.98Å; L12-I16 WeakPolarHBondContact O-CG1 2.86Å; L12-I16 PolarHBondContact O-N 2.96Å; I13-I16 PolarHBondContact O-N 3.37Å; I16-G20 WeakPolarHBondContact O-CA 3.31Å; I16-G20 PolarHBondContact O-N 3.11Å
17	L	50.9	Low	51	Low	112 Å²	112	95.1 Å²	95.1	59%	0.586	53%	0.528	S	S	*	.	H	α-helix	trans	-66.3	-43.4	176.1	-80	165.3	0	0	0	111.8	I13 L14 A21	I13-L17 HydrophobicContact CG2-CD1 3.9Å; I13-L17 WeakPolarHBondContact O-CB 3.42Å; I13-L17 WeakPolarHBondContact O-CG 3.26Å; I13-L17 PolarHBondContact O-N 3.34Å; L14-L17 PolarHBondContact O-N 3.48Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 2.82Å
18	V	53.3	Low	49.7	Very low	73 Å²	73	94.1 Å²	94.1	44%	0.442	52%	0.523	S	S	.	.	H	α-helix	trans	-68.6	-47.7	177.9	172.4	0	0	0	0	110.5	L14 S15 G20 A21 I22	L14-V18 WeakPolarHBondContact O-CB 3.26Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.35Å; L14-V18 PolarHBondContact O-N 2.92Å; S15-V18 PolarHBondContact O-N 3.27Å; V18-G20 VanDerWaalsContact C-N 3.31Å; V18-G20 PolarHBondContact O-N 2.87Å; V18-A21 PolarHBondContact O-N 3.15Å; V18-I22 HydrophobicContact CG1-CD1 3.62Å; V18-I22 HydrophobicContact CG1-CG1 4.41Å; V18-I22 WeakPolarHBondContact O-CB 3.5Å; V18-I22 WeakPolarHBondContact O-CD1 3.12Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 PolarHBondContact O-N 3.24Å
19	I	51.1	Low	48.4	Very low	102 Å²	102	91.4 Å²	91.4	52%	0.523	52%	0.522	S	S	.	.	H	α-helix	trans	-64.5	-38.1	176.5	-66.9	166.1	0	0	0	110.6	S15 I22 C23	S15-I19 WeakPolarHBondContact O-CB 3.21Å; S15-I19 WeakPolarHBondContact O-CD1 3.16Å; S15-I19 WeakPolarHBondContact O-CG1 3.36Å; S15-I19 PolarHBondContact O-N 3.12Å; I19-I22 PolarHBondContact O-N 3.29Å; I19-C23 VanDerWaalsContact O-CB 3.26Å; I19-C23 WeakPolarHBondContact O-CB 3.17Å; I19-C23 PolarHBondContact O-N 2.8Å; I19-C23 PolarHBondContact O-SG 3.22Å
20	G	45.6	Very low	47.7	Very low	39 Å²	39	85.5 Å²	85.5	40%	0.402	51%	0.505	S	S	.	.	H	α-helix	trans	-64.8	-44.1	175.9	0	0	0	0	0	112.3	I16 V18 A24	I16-G20 WeakPolarHBondContact O-CA 3.31Å; I16-G20 PolarHBondContact O-N 3.11Å; V18-G20 VanDerWaalsContact C-N 3.31Å; V18-G20 PolarHBondContact O-N 2.87Å; G20-A24 WeakPolarHBondContact O-CB 3.38Å; G20-A24 PolarHBondContact O-N 2.77Å
21	A	45.3	Very low	47.5	Very low	64 Å²	64	85.3 Å²	85.3	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-67	-37.1	175.5	0	0	0	0	0	112.3	L17 V18 S25	L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 2.82Å; V18-A21 PolarHBondContact O-N 3.15Å; A21-S25 PolarHBondContact O-N 2.95Å; A21-S25 PolarHBondContact O-OG 2.97Å; A21-S25 VanDerWaalsContact O-OG 3.1Å
22	I	42.8	Very low	47	Very low	90 Å²	90	85.7 Å²	85.7	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-70.1	-50.8	175.6	-66.6	166.9	0	0	0	110	V18 I19 A24 S25 V26	V18-I22 HydrophobicContact CG1-CD1 3.62Å; V18-I22 HydrophobicContact CG1-CG1 4.41Å; V18-I22 WeakPolarHBondContact O-CB 3.5Å; V18-I22 WeakPolarHBondContact O-CD1 3.12Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 PolarHBondContact O-N 3.24Å; I19-I22 PolarHBondContact O-N 3.29Å; I22-A24 VanDerWaalsContact C-N 3.3Å; I22-A24 PolarHBondContact O-N 3.43Å; I22-S25 PolarHBondContact O-N 3.32Å; I22-S25 PolarHBondContact O-OG 3.1Å; I22-V26 HydrophobicContact CG2-CG2 4.02Å; I22-V26 VanDerWaalsContact O-CG2 3.28Å; I22-V26 WeakPolarHBondContact O-CG2 3.28Å; I22-V26 PolarHBondContact O-N 2.98Å
23	C	41.2	Very low	46.9	Very low	80 Å²	80	81.4 Å²	81.4	54%	0.541	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-34.5	-178.8	-69.7	0	0	0	0	112.5	I19 S25	I19-C23 VanDerWaalsContact O-CB 3.26Å; I19-C23 WeakPolarHBondContact O-CB 3.17Å; I19-C23 PolarHBondContact O-N 2.8Å; I19-C23 PolarHBondContact O-SG 3.22Å; C23-S25 PolarHBondContact O-N 3.34Å
24	A	41.2	Very low	46.6	Very low	85 Å²	85	85.9 Å²	85.9	70%	0.702	50%	0.497	S	S	*	.	H	α-helix	trans	-68.5	-23	174.4	0	0	0	0	0	113	G20 I22	G20-A24 WeakPolarHBondContact O-CB 3.38Å; G20-A24 PolarHBondContact O-N 2.77Å; I22-A24 VanDerWaalsContact C-N 3.3Å; I22-A24 PolarHBondContact O-N 3.43Å
25	S	39.6	Very low	46.1	Very low	30 Å²	30	86.5 Å²	86.5	21%	0.21	50%	0.498	C	S	.	.	H	α-helix	trans	-96.7	-22.1	179.7	62.9	0	0	0	0	114.7	A21 I22 C23 V27 S28	A21-S25 PolarHBondContact O-N 2.95Å; A21-S25 PolarHBondContact O-OG 2.97Å; A21-S25 VanDerWaalsContact O-OG 3.1Å; I22-S25 PolarHBondContact O-N 3.32Å; I22-S25 PolarHBondContact O-OG 3.1Å; C23-S25 PolarHBondContact O-N 3.34Å; S25-V27 PolarHBondContact O-N 2.86Å; S25-V27 VanDerWaalsContact O-N 3.07Å; S25-S28 PolarHBondContact O-N 3.17Å
26	V	33.5	Very low	45.7	Very low	101 Å²	101	84.8 Å²	84.8	61%	0.612	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.4	-177.8	170.1	0	0	0	0	114	I22 S28	I22-V26 HydrophobicContact CG2-CG2 4.02Å; I22-V26 VanDerWaalsContact O-CG2 3.28Å; I22-V26 WeakPolarHBondContact O-CG2 3.28Å; I22-V26 PolarHBondContact O-N 2.98Å; V26-S28 VanDerWaalsContact C-N 3.29Å; V26-S28 PolarHBondContact O-N 3.34Å
27	V	39.1	Very low	45.3	Very low	133 Å²	133	87.9 Å²	87.9	81%	0.806	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.5	176.1	-173.4	0	0	0	0	112.6	S25	S25-V27 PolarHBondContact O-N 2.86Å; S25-V27 VanDerWaalsContact O-N 3.07Å
28	S	37.8	Very low	45	Very low	60 Å²	60	85.5 Å²	85.5	42%	0.42	49%	0.487	S	S	.	.	S	Bend	trans	-105.7	122.3	174.1	-72.3	0	0	0	0	110.8	S25 V26 I30	S25-S28 PolarHBondContact O-N 3.17Å; V26-S28 VanDerWaalsContact C-N 3.29Å; V26-S28 PolarHBondContact O-N 3.34Å; S28-I30 PolarHBondContact O-N 2.73Å
29	T	39.2	Very low	44.7	Very low	133 Å²	133	88.6 Å²	88.6	82%	0.816	50%	0.501	S	S	*	.			trans	-42.9	105.8	174	28.7	0	0	0	0	112	F31 A49	T29-F31 PolarHBondContact O-N 3.42Å; T29-A49 WeakPolarHBondContact O-CB 3.28Å
30	I	44.2	Very low	44.8	Very low	87 Å²	87	85.7 Å²	85.7	45%	0.446	49%	0.488	S	S	.	.			trans	-56.8	129.8	176.6	-63.6	170.1	0	0	0	109.3	S28 L32 L52	S28-I30 PolarHBondContact O-N 2.73Å; I30-L32 HydrophobicContact CB-CD1 4.31Å; I30-L32 HydrophobicContact CG2-CD1 3.83Å; I30-L32 HydrophobicContact CG2-CG 4.34Å; I30-L32 PolarHBondContact O-N 3.02Å; I30-L32 VanDerWaalsContact O-N 3.15Å; I30-L52 HydrophobicContact CG2-CB 4.09Å
31	F	52.5	Low	45.4	Very low	98 Å²	98	89.2 Å²	89.2	43%	0.43	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	97.2	171.7	-163	-96.6	0	0	0	108.1	T29 V33 P45 T47 P50 L52	T29-F31 PolarHBondContact O-N 3.42Å; F31-V33 HydrophobicContact CD1-CG2 3.86Å; F31-V33 HydrophobicContact CE1-CG2 3.68Å; F31-P45 HydrophobicContact CD1-CB 4.29Å; F31-P45 HydrophobicContact CE1-CB 4.1Å; F31-T47 HydrophobicContact CB-CG2 4.12Å; F31-T47 HydrophobicContact CD1-CG2 4.31Å; F31-T47 HydrophobicContact CD2-CG2 4.01Å; F31-T47 HydrophobicContact CG-CG2 3.89Å; F31-P50 PolarHBondContact N-O 3.3Å; F31-L52 PolarHBondContact O-N 2.7Å; F31-L52 VanDerWaalsContact O-N 3.12Å
32	L	45.3	Very low	46	Very low	74 Å²	74	91.9 Å²	91.9	39%	0.387	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.8	177.7	-107.8	120.1	0	0	0	109.6	I30 R34 L52 T54	I30-L32 HydrophobicContact CB-CD1 4.31Å; I30-L32 HydrophobicContact CG2-CD1 3.83Å; I30-L32 HydrophobicContact CG2-CG 4.34Å; I30-L32 PolarHBondContact O-N 3.02Å; I30-L32 VanDerWaalsContact O-N 3.15Å; L32-R34 HydrophobicContact CD2-CG 3.61Å; L32-R34 PolarHBondContact O-N 3.39Å; L32-L52 HydrophobicContact CD1-CD2 4.48Å; L32-L52 HydrophobicContact CD2-CD2 4.2Å; L32-L52 HydrophobicContact CG-CB 4.47Å; L32-L52 HydrophobicContact CG-CD2 4.13Å; L32-T54 HydrophobicContact CD2-CG2 4.39Å
33	V	58	Low	47	Very low	21 Å²	21	89.2 Å²	89.2	13%	0.127	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	88.9	164.1	-176	0	0	0	0	107.1	F31 H35 L36 L52 I53 T54	F31-V33 HydrophobicContact CD1-CG2 3.86Å; F31-V33 HydrophobicContact CE1-CG2 3.68Å; V33-H35 PolarHBondContact O-N 3.04Å; V33-L36 HydrophobicContact CG1-CD1 4.31Å; V33-L36 HydrophobicContact CG1-CD2 4.38Å; V33-L36 HydrophobicContact CG1-CG 3.88Å; V33-L52 PolarHBondContact N-O 2.74Å; V33-L52 VanDerWaalsContact N-O 3.11Å; V33-I53 HydrophobicContact CB-CG1 4.46Å; V33-T54 PolarHBondContact O-OG1 2.81Å
34	R	48.4	Very low	48.2	Very low	189 Å²	189	87.8 Å²	87.8	71%	0.713	48%	0.475	S	S	*	.			trans	-85.8	103.1	169.3	-77.5	-174.2	173.2	167	-1	108.4	L32	L32-R34 HydrophobicContact CD2-CG 3.61Å; L32-R34 PolarHBondContact O-N 3.39Å
35	H	45.9	Very low	49.1	Very low	95 Å²	95	84.6 Å²	84.6	44%	0.44	45%	0.447	S	S	.	.			trans	70.5	105.9	178.2	-52.2	-53.4	0	0	0	115	V33 K37 E55	V33-H35 PolarHBondContact O-N 3.04Å; H35-K37 PolarHBondContact O-N 3.35Å; H35-E55 IonicContact CE1-OE2 3.89Å
36	L	51.3	Low	49.9	Very low	8 Å²	8	87.4 Å²	87.4	4%	0.042	47%	0.472	C	S	.	.			trans	-72.9	113.9	158.8	-79.1	149	0	0	0	107.9	V33 L43 V56 V60	V33-L36 HydrophobicContact CG1-CD1 4.31Å; V33-L36 HydrophobicContact CG1-CD2 4.38Å; V33-L36 HydrophobicContact CG1-CG 3.88Å; L36-L43 HydrophobicContact CD1-CD2 3.96Å; L36-L43 HydrophobicContact CD2-CD1 3.69Å; L36-L43 HydrophobicContact CD2-CD2 3.6Å; L36-L43 HydrophobicContact CD2-CG 4.17Å; L36-L43 HydrophobicContact CG-CD2 4.26Å; L36-V56 HydrophobicContact CD1-CB 4.48Å; L36-V56 HydrophobicContact CD1-CG1 4.23Å; L36-V56 HydrophobicContact CD1-CG2 4.1Å; L36-V60 HydrophobicContact CD1-CG2 4.42Å
37	K	45.3	Very low	51.2	Low	172 Å²	172	83.9 Å²	83.9	75%	0.748	45%	0.451	S	S	*	.			trans	-126.8	20.2	178.1	-92.2	-167.1	175.6	-170.9	0	111.9	H35	H35-K37 PolarHBondContact O-N 3.35Å
38	S	45.2	Very low	52	Low	62 Å²	62	81.3 Å²	81.3	43%	0.434	44%	0.444	S	S	.	.	S	Bend	trans	-125.7	136.4	172.8	58.6	0	0	0	0	108.6	T40 E58	S38-T40 PolarHBondContact O-N 2.94Å; S38-T40 PolarHBondContact O-OG1 3.16Å; S38-T40 PolarHBondContact OG-OG1 3.21Å; S38-E58 WeakPolarHBondContact CA-OE2 3.31Å; S38-E58 PolarHBondContact N-OE2 3.33Å; S38-E58 VanDerWaalsContact N-OE2 3.11Å
39	N	46.6	Very low	53	Low	137 Å²	137	79 Å²	79	73%	0.733	43%	0.428	S	S	*	.			trans	-56.8	66.2	158.9	-85.7	-9.3	0	0	0	110.1	E58	N39-E58 PolarHBondContact N-OE2 3.44Å
40	T	52.1	Low	53.9	Low	41 Å²	41	73.5 Å²	73.5	25%	0.252	39%	0.394	S	S	.	.			trans	-88.5	109.5	176.3	0.2	0	0	0	0	106.1	S38 K42	S38-T40 PolarHBondContact O-N 2.94Å; S38-T40 PolarHBondContact O-OG1 3.16Å; S38-T40 PolarHBondContact OG-OG1 3.21Å; T40-K42 PolarHBondContact O-N 2.9Å; T40-K42 VanDerWaalsContact O-N 3.15Å
41	N	58.6	Low	55	Low	113 Å²	113	69.4 Å²	69.4	60%	0.604	37%	0.373	S	S	*	.	S	Bend	trans	-59.8	-22.1	174.8	-70.6	-12	0	0	0	112.3	K61 E62	N41-K61 HydrophobicContact CB-CD 4.28Å; N41-K61 VanDerWaalsContact O-CB 3.31Å; N41-K61 WeakPolarHBondContact O-CB 3.46Å; N41-E62 PolarHBondContact O-N 2.94Å
42	K	58.6	Low	55.8	Low	121 Å²	121	66.8 Å²	66.8	53%	0.526	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-150.5	124.1	-177.1	-173.1	167.6	-177.2	131.7	0	110.8	T40 S44 E62	T40-K42 PolarHBondContact O-N 2.9Å; T40-K42 VanDerWaalsContact O-N 3.15Å; K42-S44 WeakPolarHBondContact CE-OG 3.44Å; K42-S44 WeakPolarHBondContact CG-OG 3.26Å; K42-E62 WeakPolarHBondContact CD-OE2 3.49Å; K42-E62 VanDerWaalsContact CE-CD 3.41Å; K42-E62 WeakPolarHBondContact CE-OE1 3.31Å; K42-E62 WeakPolarHBondContact CE-OE2 3.49Å; K42-E62 HydrophobicContact CG-CB 4.19Å; K42-E62 HydrophobicContact CG-CG 4.35Å; K42-E62 IonicContact NZ-OE1 3.68Å; K42-E62 PolarHBondContact NZ-OE1 3Å; K42-E62 IonicContact NZ-OE2 2.72Å; K42-E62 PolarHBondContact NZ-OE2 2.72Å
43	L	64	Low	57.1	Low	34 Å²	34	63.3 Å²	63.3	18%	0.178	35%	0.345	C	S	.	.			trans	-123.8	87.6	177.6	-160.4	90.4	0	0	0	110.4	L36 P45 V60 E62 L63 S64	L36-L43 HydrophobicContact CD1-CD2 3.96Å; L36-L43 HydrophobicContact CD2-CD1 3.69Å; L36-L43 HydrophobicContact CD2-CD2 3.6Å; L36-L43 HydrophobicContact CD2-CG 4.17Å; L36-L43 HydrophobicContact CG-CD2 4.26Å; L43-P45 WeakPolarHBondContact O-CD 3.06Å; L43-V60 HydrophobicContact CB-CG1 4.41Å; L43-E62 PolarHBondContact N-O 2.62Å; L43-L63 HydrophobicContact CB-CD1 3.83Å; L43-L63 HydrophobicContact CD2-CD1 3.45Å; L43-L63 VanDerWaalsContact CD2-CD1 3.45Å; L43-L63 HydrophobicContact CG-CD1 4.22Å; L43-S64 PolarHBondContact O-N 2.78Å
44	S	65.1	Low	57.5	Low	49 Å²	49	64 Å²	64	34%	0.343	35%	0.35	S	S	.	.			trans	-113.8	70	-179.4	-42.9	0	0	0	0	111.3	K42 A46 S64	K42-S44 WeakPolarHBondContact CE-OG 3.44Å; K42-S44 WeakPolarHBondContact CG-OG 3.26Å; S44-A46 PolarHBondContact O-N 3.03Å; S44-S64 WeakPolarHBondContact CA-O 3.48Å; S44-S64 WeakPolarHBondContact CB-O 3.05Å
45	P	60.6	Low	58.5	Low	18 Å²	18	56.5 Å²	56.5	12%	0.117	32%	0.323	C	S	.	.			trans	-64	108.6	-178.3	26.4	-33.9	0	0	0	110.5	F31 L43 T47 V51 P65	F31-P45 HydrophobicContact CD1-CB 4.29Å; F31-P45 HydrophobicContact CE1-CB 4.1Å; L43-P45 WeakPolarHBondContact O-CD 3.06Å; P45-T47 HydrophobicContact CB-CG2 4Å; P45-T47 PolarHBondContact O-N 2.82Å; P45-V51 HydrophobicContact CG-CG1 4.12Å; P45-V51 HydrophobicContact CG-CG2 4.34Å; P45-P65 HydrophobicContact CG-CB 3.8Å
46	A	57	Low	59.6	Low	89 Å²	89	52 Å²	52	74%	0.736	30%	0.302	S	S	*	.			trans	-86.4	86.6	173.1	0	0	0	0	0	109.4	S44 A66	S44-A46 PolarHBondContact O-N 3.03Å; A46-A66 WeakPolarHBondContact CA-O 3.12Å
47	T	59.6	Low	60.2	Low	28 Å²	28	56 Å²	56	17%	0.172	32%	0.319	C	S	.	.			trans	-124.3	151.7	-179.7	103.2	0	0	0	0	111.4	F31 P45 A49 T67	F31-T47 HydrophobicContact CB-CG2 4.12Å; F31-T47 HydrophobicContact CD1-CG2 4.31Å; F31-T47 HydrophobicContact CD2-CG2 4.01Å; F31-T47 HydrophobicContact CG-CG2 3.89Å; P45-T47 HydrophobicContact CB-CG2 4Å; P45-T47 PolarHBondContact O-N 2.82Å; T47-A49 PolarHBondContact OG1-N 3.46Å; T47-A49 PolarHBondContact OG1-O 2.68Å; T47-T67 VanDerWaalsContact O-CB 3.26Å; T47-T67 WeakPolarHBondContact O-CB 3.39Å; T47-T67 PolarHBondContact O-OG1 2.8Å
48	A	55.9	Low	61.3	Low	79 Å²	79	50.5 Å²	50.5	65%	0.653	30%	0.296	S	S	*	.	S	Bend	trans	-81.3	-2.8	171.5	0	0	0	0	0	112.8	T69	A48-T69 VanDerWaalsContact O-CG2 3.22Å; A48-T69 WeakPolarHBondContact O-CG2 3.47Å
49	A	59.6	Low	62.2	Low	11 Å²	11	50.7 Å²	50.7	9%	0.091	30%	0.296	C	S	.	.	S	Bend	trans	-106	156.1	-177.2	0	0	0	0	0	111.6	T29 T47 V51 T67 T69	T29-A49 WeakPolarHBondContact O-CB 3.28Å; T47-A49 PolarHBondContact OG1-N 3.46Å; T47-A49 PolarHBondContact OG1-O 2.68Å; A49-V51 PolarHBondContact O-N 3.07Å; A49-T67 PolarHBondContact O-OG1 3.27Å; A49-T69 PolarHBondContact O-OG1 3.45Å
50	P	59.2	Low	63.3	Low	17 Å²	17	44.3 Å²	44.3	11%	0.11	26%	0.262	C	S	.	.			trans	-55.2	134.9	176.5	-23.8	32.9	0	0	0	110.3	F31 T69 P70	F31-P50 PolarHBondContact N-O 3.3Å; P50-T69 WeakPolarHBondContact CA-OG1 3.08Å; P50-P70 WeakPolarHBondContact CA-O 2.93Å
51	V	66.9	Low	64.2	Low	1 Å²	1	46.9 Å²	46.9	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.4	177.6	178.3	0	0	0	0	107.3	P45 A49 I53 P65 T67 P70 V71 L72	P45-V51 HydrophobicContact CG-CG1 4.12Å; P45-V51 HydrophobicContact CG-CG2 4.34Å; A49-V51 PolarHBondContact O-N 3.07Å; V51-I53 HydrophobicContact CG1-CD1 4.22Å; V51-I53 HydrophobicContact CG1-CG1 4.04Å; V51-P65 HydrophobicContact CB-CB 4.45Å; V51-P65 HydrophobicContact CG1-CB 4.16Å; V51-P65 HydrophobicContact CG2-CB 4.34Å; V51-T67 HydrophobicContact CG2-CG2 3.91Å; V51-P70 PolarHBondContact N-O 3.16Å; V51-P70 VanDerWaalsContact N-O 3.17Å; V51-V71 HydrophobicContact CB-CG2 4.28Å; V51-V71 WeakPolarHBondContact O-CA 3.36Å; V51-L72 PolarHBondContact O-N 3.03Å
52	L	69.8	Low	64.9	Low	44 Å²	44	43.2 Å²	43.2	23%	0.23	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.7	173.6	179.5	63.5	0	0	0	108.7	I30 F31 L32 V33 T54 L72	I30-L52 HydrophobicContact CG2-CB 4.09Å; F31-L52 PolarHBondContact O-N 2.7Å; F31-L52 VanDerWaalsContact O-N 3.12Å; L32-L52 HydrophobicContact CD1-CD2 4.48Å; L32-L52 HydrophobicContact CD2-CD2 4.2Å; L32-L52 HydrophobicContact CG-CB 4.47Å; L32-L52 HydrophobicContact CG-CD2 4.13Å; V33-L52 PolarHBondContact N-O 2.74Å; V33-L52 VanDerWaalsContact N-O 3.11Å; L52-T54 HydrophobicContact CD2-CG2 4.15Å; L52-T54 HydrophobicContact CG-CG2 4.07Å; L52-L72 HydrophobicContact CD1-CB 3.73Å; L52-L72 HydrophobicContact CD1-CD2 3.53Å; L52-L72 HydrophobicContact CD1-CG 3.6Å
53	I	71.2	Confident	65.5	Low	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	103.9	171	-62.4	163.3	0	0	0	106.2	V33 V51 V56 L63 L72 I73 N74	V33-I53 HydrophobicContact CB-CG1 4.46Å; V51-I53 HydrophobicContact CG1-CD1 4.22Å; V51-I53 HydrophobicContact CG1-CG1 4.04Å; I53-V56 HydrophobicContact CG2-CG2 3.77Å; I53-L63 HydrophobicContact CD1-CD1 3.88Å; I53-L63 HydrophobicContact CD1-CD2 3.93Å; I53-L63 HydrophobicContact CD1-CG 4.05Å; I53-L72 PolarHBondContact N-O 2.68Å; I53-I73 HydrophobicContact CB-CG1 4.24Å; I53-I73 HydrophobicContact CD1-CG1 3.96Å; I53-N74 PolarHBondContact O-N 3.3Å
54	T	67.7	Low	66	Low	37 Å²	37	36.5 Å²	36.5	23%	0.227	22%	0.22	C	C	.	.			trans	-73.8	-38.3	-176.9	48.5	0	0	0	0	112.3	L32 V33 L52 N74	L32-T54 HydrophobicContact CD2-CG2 4.39Å; V33-T54 PolarHBondContact O-OG1 2.81Å; L52-T54 HydrophobicContact CD2-CG2 4.15Å; L52-T54 HydrophobicContact CG-CG2 4.07Å; T54-N74 WeakPolarHBondContact O-CB 3.46Å
55	E	67.8	Low	66.2	Low	30 Å²	30	34.1 Å²	34.1	14%	0.14	20%	0.203	C	C	.	.			trans	-163.4	124.4	-173.2	-157.1	176.1	-178.5	0	0	110.3	H35 K57 E75 K77	H35-E55 IonicContact CE1-OE2 3.89Å; E55-K57 HydrophobicContact CG-CG 3.94Å; E55-K57 WeakPolarHBondContact OE1-CE 3.47Å; E55-K57 IonicContact OE1-NZ 3.6Å; E55-K57 WeakPolarHBondContact OE2-CE 3.32Å; E55-K57 IonicContact OE2-NZ 3.34Å; E55-K57 PolarHBondContact OE2-NZ 3.49Å; E55-E75 WeakPolarHBondContact CA-O 3.04Å; E55-K77 HydrophobicContact CG-CD 4.04Å; E55-K77 HydrophobicContact CG-CG 4.42Å; E55-K77 VanDerWaalsContact OE1-CD 3.31Å; E55-K77 WeakPolarHBondContact OE1-CD 3.43Å; E55-K77 WeakPolarHBondContact OE1-CE 3.43Å; E55-K77 IonicContact OE1-NZ 2.62Å; E55-K77 PolarHBondContact OE1-NZ 3.4Å
56	V	68.7	Low	66.4	Low	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-93.1	115.6	168.5	-173.9	0	0	0	0	107.5	L36 I53 E58 V60 L63 E75 V76 K77 V80	L36-V56 HydrophobicContact CD1-CB 4.48Å; L36-V56 HydrophobicContact CD1-CG1 4.23Å; L36-V56 HydrophobicContact CD1-CG2 4.1Å; I53-V56 HydrophobicContact CG2-CG2 3.77Å; V56-E58 WeakPolarHBondContact CG1-O 3.36Å; V56-V60 HydrophobicContact CG1-CG2 3.95Å; V56-L63 HydrophobicContact CG2-CD2 3.91Å; V56-E75 PolarHBondContact N-O 2.82Å; V56-V76 HydrophobicContact CB-CG1 4.45Å; V56-V76 HydrophobicContact CG2-CG2 4.38Å; V56-K77 WeakPolarHBondContact O-CB 3.34Å; V56-K77 PolarHBondContact O-N 3.43Å; V56-K77 VanDerWaalsContact O-N 3.07Å; V56-V80 HydrophobicContact CG1-CG2 4.35Å
57	K	65.2	Low	66.8	Low	94 Å²	94	31.9 Å²	31.9	41%	0.409	19%	0.185	S	C	.	.			trans	-117.1	0.8	-173.7	-72.8	-162.2	179.6	-172.2	0	114.5	E55 E78	E55-K57 HydrophobicContact CG-CG 3.94Å; E55-K57 WeakPolarHBondContact OE1-CE 3.47Å; E55-K57 IonicContact OE1-NZ 3.6Å; E55-K57 WeakPolarHBondContact OE2-CE 3.32Å; E55-K57 IonicContact OE2-NZ 3.34Å; E55-K57 PolarHBondContact OE2-NZ 3.49Å; K57-E78 WeakPolarHBondContact O-CG 3.44Å
58	E	67.8	Low	67.1	Low	56 Å²	56	37.9 Å²	37.9	26%	0.262	21%	0.209	S	C	.	.	S	Bend	trans	-137.4	151.9	173.6	-72.3	-177.9	-178.7	0	0	107.3	S38 N39 V56 V60	S38-E58 WeakPolarHBondContact CA-OE2 3.31Å; S38-E58 PolarHBondContact N-OE2 3.33Å; S38-E58 VanDerWaalsContact N-OE2 3.11Å; N39-E58 PolarHBondContact N-OE2 3.44Å; V56-E58 WeakPolarHBondContact CG1-O 3.36Å; E58-V60 PolarHBondContact O-N 2.85Å
59	P	65.3	Low	67.6	Low	66 Å²	66	35.3 Å²	35.3	43%	0.429	19%	0.185	S	C	.	.			trans	-57.9	134.7	176.3	-22.8	32	0	0	0	111.5	P79	P59-P79 VanDerWaalsContact CA-O 3.31Å; P59-P79 WeakPolarHBondContact CA-O 3.35Å
60	V	68.7	Low	67.9	Low	3 Å²	3	37.3 Å²	37.3	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.9	177.7	-177.4	0	0	0	0	107.8	L36 L43 V56 E58 E62 L63 P79 V80 E81	L36-V60 HydrophobicContact CD1-CG2 4.42Å; L43-V60 HydrophobicContact CB-CG1 4.41Å; V56-V60 HydrophobicContact CG1-CG2 3.95Å; E58-V60 PolarHBondContact O-N 2.85Å; V60-E62 WeakPolarHBondContact CG1-O 3.33Å; V60-L63 HydrophobicContact CG1-CB 4.39Å; V60-P79 PolarHBondContact N-O 2.72Å; V60-V80 VanDerWaalsContact O-CA 3.25Å; V60-V80 WeakPolarHBondContact O-CA 3.4Å; V60-E81 PolarHBondContact O-N 3.37Å
61	K	71.1	Confident	68.4	Low	95 Å²	95	36.6 Å²	36.6	41%	0.413	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	-45.6	177.1	-61	-178.6	145.3	-75.6	0	111.6	N41 E81 E82	N41-K61 HydrophobicContact CB-CD 4.28Å; N41-K61 VanDerWaalsContact O-CB 3.31Å; N41-K61 WeakPolarHBondContact O-CB 3.46Å; K61-E81 WeakPolarHBondContact CB-OE2 3.31Å; K61-E81 VanDerWaalsContact CG-OE2 3.29Å; K61-E81 WeakPolarHBondContact CG-OE2 3.25Å; K61-E81 IonicContact NZ-OE1 2.67Å; K61-E81 PolarHBondContact NZ-OE1 2.85Å; K61-E81 IonicContact NZ-OE2 2.81Å; K61-E81 PolarHBondContact NZ-OE2 3.39Å; K61-E81 CarbonylContact O-C 3.59Å; K61-E81 VanDerWaalsContact O-CB 3.32Å; K61-E81 WeakPolarHBondContact O-CB 3.39Å; K61-E81 PolarHBondContact O-N 2.91Å; K61-E82 PolarHBondContact O-N 2.63Å
62	E	72.4	Confident	68.8	Low	36 Å²	36	39.5 Å²	39.5	17%	0.168	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	120.4	-178.4	-175.3	-174.4	154.4	0	0	112.2	N41 K42 L43 V60 S64 E82	N41-E62 PolarHBondContact O-N 2.94Å; K42-E62 WeakPolarHBondContact CD-OE2 3.49Å; K42-E62 VanDerWaalsContact CE-CD 3.41Å; K42-E62 WeakPolarHBondContact CE-OE1 3.31Å; K42-E62 WeakPolarHBondContact CE-OE2 3.49Å; K42-E62 HydrophobicContact CG-CB 4.19Å; K42-E62 HydrophobicContact CG-CG 4.35Å; K42-E62 IonicContact NZ-OE1 3.68Å; K42-E62 PolarHBondContact NZ-OE1 3Å; K42-E62 IonicContact NZ-OE2 2.72Å; K42-E62 PolarHBondContact NZ-OE2 2.72Å; L43-E62 PolarHBondContact N-O 2.62Å; V60-E62 WeakPolarHBondContact CG1-O 3.33Å; E62-S64 VanDerWaalsContact CG-OG 3.26Å; E62-S64 WeakPolarHBondContact CG-OG 3.2Å; E62-E82 WeakPolarHBondContact CA-O 3.29Å; E62-E82 HydrophobicContact CG-CB 4.35Å
63	L	71.8	Confident	69	Low	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.			trans	-116.5	76.1	177.2	-169.2	65.7	0	0	0	110.7	L43 I53 V56 V60 P65 V80 E82 L83	L43-L63 HydrophobicContact CB-CD1 3.83Å; L43-L63 HydrophobicContact CD2-CD1 3.45Å; L43-L63 VanDerWaalsContact CD2-CD1 3.45Å; L43-L63 HydrophobicContact CG-CD1 4.22Å; I53-L63 HydrophobicContact CD1-CD1 3.88Å; I53-L63 HydrophobicContact CD1-CD2 3.93Å; I53-L63 HydrophobicContact CD1-CG 4.05Å; V56-L63 HydrophobicContact CG2-CD2 3.91Å; V60-L63 HydrophobicContact CG1-CB 4.39Å; L63-P65 WeakPolarHBondContact O-CD 3.34Å; L63-V80 HydrophobicContact CB-CG1 4.04Å; L63-E82 PolarHBondContact N-O 2.9Å; L63-L83 HydrophobicContact CB-CD1 3.69Å; L63-L83 HydrophobicContact CD2-CD1 3.46Å; L63-L83 VanDerWaalsContact CD2-CD1 3.46Å; L63-L83 HydrophobicContact CG-CD1 3.81Å
64	S	74.4	Confident	69.2	Low	13 Å²	13	40.4 Å²	40.4	9%	0.091	21%	0.213	C	C	.	.			trans	-115.7	71.5	-171.3	-55.9	0	0	0	0	112.5	L43 S44 E62 A66 S84	L43-S64 PolarHBondContact O-N 2.78Å; S44-S64 WeakPolarHBondContact CA-O 3.48Å; S44-S64 WeakPolarHBondContact CB-O 3.05Å; E62-S64 VanDerWaalsContact CG-OG 3.26Å; E62-S64 WeakPolarHBondContact CG-OG 3.2Å; S64-A66 PolarHBondContact O-N 3.19Å; S64-A66 VanDerWaalsContact O-N 3.16Å; S64-S84 WeakPolarHBondContact CB-O 3.4Å
65	P	69.3	Low	69.4	Low	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.			trans	-65	116.5	178.1	25.6	-32	0	0	0	111	P45 V51 L63 V71 P85 A86	P45-P65 HydrophobicContact CG-CB 3.8Å; V51-P65 HydrophobicContact CB-CB 4.45Å; V51-P65 HydrophobicContact CG1-CB 4.16Å; V51-P65 HydrophobicContact CG2-CB 4.34Å; L63-P65 WeakPolarHBondContact O-CD 3.34Å; P65-V71 HydrophobicContact CB-CG1 4.49Å; P65-V71 HydrophobicContact CB-CG2 4.11Å; P65-V71 HydrophobicContact CG-CB 4.45Å; P65-V71 HydrophobicContact CG-CG1 3.67Å; P65-V71 HydrophobicContact CG-CG2 3.92Å; P65-P85 HydrophobicContact CG-CB 3.98Å; P65-A86 PolarHBondContact O-N 3.3Å
66	A	66.3	Low	69.6	Low	51 Å²	51	38.9 Å²	38.9	42%	0.421	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	94.9	179.3	0	0	0	0	0	110.3	A46 S64 A86	A46-A66 WeakPolarHBondContact CA-O 3.12Å; S64-A66 PolarHBondContact O-N 3.19Å; S64-A66 VanDerWaalsContact O-N 3.16Å; A66-A86 WeakPolarHBondContact CA-O 3.42Å
67	T	64.9	Low	69.8	Low	8 Å²	8	41.9 Å²	41.9	5%	0.049	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.8	-173.3	170.8	0	0	0	0	112.6	T47 A49 V51 T69 V71 A86 T87	T47-T67 VanDerWaalsContact O-CB 3.26Å; T47-T67 WeakPolarHBondContact O-CB 3.39Å; T47-T67 PolarHBondContact O-OG1 2.8Å; A49-T67 PolarHBondContact O-OG1 3.27Å; V51-T67 HydrophobicContact CG2-CG2 3.91Å; T67-T69 WeakPolarHBondContact CG2-O 3.05Å; T67-T69 PolarHBondContact OG1-N 3.02Å; T67-T69 PolarHBondContact OG1-O 3.14Å; T67-T69 PolarHBondContact OG1-OG1 3.44Å; T67-V71 HydrophobicContact CG2-CG2 3.36Å; T67-A86 PolarHBondContact N-O 2.95Å; T67-T87 HydrophobicContact CG2-CG2 4.32Å; T67-T87 VanDerWaalsContact O-CA 3.28Å; T67-T87 WeakPolarHBondContact O-CA 3.22Å; T67-T87 VanDerWaalsContact O-CB 3.28Å; T67-T87 WeakPolarHBondContact O-CB 3.48Å
68	K	64.7	Low	70.1	Confident	155 Å²	155	40.9 Å²	40.9	67%	0.674	21%	0.213	S	C	*	.	S	Bend	trans	-84.7	1.5	171.8	-67.7	-177.2	-176.4	173	0	112.5	T89	K68-T89 WeakPolarHBondContact O-CG2 3.4Å
69	T	67.2	Low	70.2	Confident	25 Å²	25	40.8 Å²	40.8	15%	0.153	22%	0.217	C	C	.	.	S	Bend	trans	-129.2	163.1	-174.4	47.9	0	0	0	0	111.3	A48 A49 P50 T67 T89	A48-T69 VanDerWaalsContact O-CG2 3.22Å; A48-T69 WeakPolarHBondContact O-CG2 3.47Å; A49-T69 PolarHBondContact O-OG1 3.45Å; P50-T69 WeakPolarHBondContact CA-OG1 3.08Å; T67-T69 WeakPolarHBondContact CG2-O 3.05Å; T67-T69 PolarHBondContact OG1-N 3.02Å; T67-T69 PolarHBondContact OG1-O 3.14Å; T67-T69 PolarHBondContact OG1-OG1 3.44Å; T69-T89 WeakPolarHBondContact CA-OG1 3.45Å; T69-T89 PolarHBondContact N-OG1 3.14Å; T69-T89 PolarHBondContact O-OG1 2.96Å
70	P	66.3	Low	70.4	Confident	53 Å²	53	37.8 Å²	37.8	34%	0.344	20%	0.197	S	C	.	.			trans	-57.6	146.1	-171.5	-25.9	34.2	0	0	0	113.3	P50 V51 T89 P90	P50-P70 WeakPolarHBondContact CA-O 2.93Å; V51-P70 PolarHBondContact N-O 3.16Å; V51-P70 VanDerWaalsContact N-O 3.17Å; P70-T89 VanDerWaalsContact N-OG1 3.11Å; P70-P90 WeakPolarHBondContact CA-O 3.27Å
71	V	69.8	Low	70.7	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.3	172.2	176.6	0	0	0	0	107.7	V51 P65 T67 I73 P85 T87 P90 V91 L92	V51-V71 HydrophobicContact CB-CG2 4.28Å; V51-V71 WeakPolarHBondContact O-CA 3.36Å; P65-V71 HydrophobicContact CB-CG1 4.49Å; P65-V71 HydrophobicContact CB-CG2 4.11Å; P65-V71 HydrophobicContact CG-CB 4.45Å; P65-V71 HydrophobicContact CG-CG1 3.67Å; P65-V71 HydrophobicContact CG-CG2 3.92Å; T67-V71 HydrophobicContact CG2-CG2 3.36Å; V71-I73 HydrophobicContact CG1-CD1 4.11Å; V71-I73 HydrophobicContact CG1-CG1 4.07Å; V71-P85 HydrophobicContact CB-CB 4.45Å; V71-P85 HydrophobicContact CG1-CB 4.28Å; V71-P85 HydrophobicContact CG2-CB 4.47Å; V71-T87 HydrophobicContact CB-CG2 4.29Å; V71-T87 HydrophobicContact CG2-CG2 3.52Å; V71-P90 PolarHBondContact N-O 3.14Å; V71-V91 HydrophobicContact CB-CG2 4.45Å; V71-L92 PolarHBondContact O-N 3.36Å
72	L	73.9	Confident	70.8	Confident	61 Å²	61	39.4 Å²	39.4	32%	0.319	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.9	172.8	178.5	57.8	0	0	0	108.7	V51 L52 I53 L92	V51-L72 PolarHBondContact O-N 3.03Å; L52-L72 HydrophobicContact CD1-CB 3.73Å; L52-L72 HydrophobicContact CD1-CD2 3.53Å; L52-L72 HydrophobicContact CD1-CG 3.6Å; I53-L72 PolarHBondContact N-O 2.68Å; L72-L92 WeakPolarHBondContact CA-O 3.26Å; L72-L92 HydrophobicContact CD1-CB 3.72Å; L72-L92 HydrophobicContact CD1-CD2 3.52Å; L72-L92 HydrophobicContact CD1-CG 3.55Å; L72-L92 WeakPolarHBondContact CD1-O 3.4Å
73	I	75.2	Confident	70.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.3	171	-63.3	151.9	0	0	0	106.6	I53 V71 V76 L83 P85 L92 I93 N94	I53-I73 HydrophobicContact CB-CG1 4.24Å; I53-I73 HydrophobicContact CD1-CG1 3.96Å; V71-I73 HydrophobicContact CG1-CD1 4.11Å; V71-I73 HydrophobicContact CG1-CG1 4.07Å; I73-V76 HydrophobicContact CG2-CG2 3.67Å; I73-L83 HydrophobicContact CD1-CD1 3.81Å; I73-L83 HydrophobicContact CD1-CD2 4.42Å; I73-L83 HydrophobicContact CD1-CG 4.4Å; I73-P85 HydrophobicContact CD1-CG 4.26Å; I73-L92 PolarHBondContact N-O 3.35Å; I73-I93 HydrophobicContact CB-CG1 4.3Å; I73-I93 HydrophobicContact CD1-CG1 3.99Å; I73-I93 WeakPolarHBondContact O-CA 3.5Å; I73-N94 PolarHBondContact O-N 2.97Å
74	N	74	Confident	71.1	Confident	63 Å²	63	38.4 Å²	38.4	34%	0.337	20%	0.204	S	C	.	.			trans	-84.8	-48.3	-172.5	-175.8	67.7	0	0	0	112.6	I53 T54 N94 E95	I53-N74 PolarHBondContact O-N 3.3Å; T54-N74 WeakPolarHBondContact O-CB 3.46Å; N74-N94 WeakPolarHBondContact O-CB 3.08Å; N74-E95 PolarHBondContact O-N 3.05Å
75	E	73.3	Confident	70.9	Confident	35 Å²	35	37.8 Å²	37.8	16%	0.164	20%	0.199	C	C	.	.			trans	-143.7	128.2	177.2	-70.6	-174.6	131.9	0	0	110.8	E55 V56 K77 E95 K97	E55-E75 WeakPolarHBondContact CA-O 3.04Å; V56-E75 PolarHBondContact N-O 2.82Å; E75-K77 HydrophobicContact CB-CG 4.33Å; E75-K77 IonicContact OE1-NZ 2.76Å; E75-K77 WeakPolarHBondContact OE2-CE 3.46Å; E75-K77 IonicContact OE2-NZ 2.63Å; E75-K77 PolarHBondContact OE2-NZ 2.92Å; E75-E95 WeakPolarHBondContact CA-O 3.48Å; E75-E95 HydrophobicContact CG-CB 4.49Å; E75-K97 IonicContact OE1-NZ 3.7Å; E75-K97 PolarHBondContact OE1-NZ 3.32Å
76	V	71	Confident	70.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-102.6	111.4	165.2	-177.2	0	0	0	0	107.3	V56 I73 E78 V80 L83 E95 K97	V56-V76 HydrophobicContact CB-CG1 4.45Å; V56-V76 HydrophobicContact CG2-CG2 4.38Å; I73-V76 HydrophobicContact CG2-CG2 3.67Å; V76-E78 VanDerWaalsContact CG1-O 3.25Å; V76-E78 WeakPolarHBondContact CG1-O 2.84Å; V76-V80 HydrophobicContact CG1-CG2 3.68Å; V76-L83 HydrophobicContact CG2-CD2 4.36Å; V76-E95 PolarHBondContact N-O 2.85Å; V76-K97 WeakPolarHBondContact O-CB 3.45Å; V76-K97 PolarHBondContact O-N 3.42Å
77	K	72.8	Confident	70.8	Confident	64 Å²	64	38.2 Å²	38.2	28%	0.278	20%	0.201	S	C	.	.			trans	-113.2	4.8	-176	-63.5	-169.8	177.3	162.9	0	114.2	E55 V56 E75 K97 E98	E55-K77 HydrophobicContact CG-CD 4.04Å; E55-K77 HydrophobicContact CG-CG 4.42Å; E55-K77 VanDerWaalsContact OE1-CD 3.31Å; E55-K77 WeakPolarHBondContact OE1-CD 3.43Å; E55-K77 WeakPolarHBondContact OE1-CE 3.43Å; E55-K77 IonicContact OE1-NZ 2.62Å; E55-K77 PolarHBondContact OE1-NZ 3.4Å; V56-K77 WeakPolarHBondContact O-CB 3.34Å; V56-K77 PolarHBondContact O-N 3.43Å; V56-K77 VanDerWaalsContact O-N 3.07Å; E75-K77 HydrophobicContact CB-CG 4.33Å; E75-K77 IonicContact OE1-NZ 2.76Å; E75-K77 WeakPolarHBondContact OE2-CE 3.46Å; E75-K77 IonicContact OE2-NZ 2.63Å; E75-K77 PolarHBondContact OE2-NZ 2.92Å; K77-K97 HydrophobicContact CG-CD 4.28Å; K77-E98 VanDerWaalsContact O-CG 3.31Å; K77-E98 WeakPolarHBondContact O-CG 3.08Å
78	E	73	Confident	70.8	Confident	73 Å²	73	44 Å²	44	34%	0.341	23%	0.226	S	C	.	.	S	Bend	trans	-141.7	155	175.3	-72	-68.8	164.9	0	0	107.3	K57 V76	K57-E78 WeakPolarHBondContact O-CG 3.44Å; V76-E78 VanDerWaalsContact CG1-O 3.25Å; V76-E78 WeakPolarHBondContact CG1-O 2.84Å
79	P	69	Low	70.9	Confident	54 Å²	54	38 Å²	38	35%	0.351	20%	0.203	S	C	.	.			trans	-57.2	139.9	-176.6	-25.2	33.5	0	0	0	113.1	P59 V60 P99	P59-P79 VanDerWaalsContact CA-O 3.31Å; P59-P79 WeakPolarHBondContact CA-O 3.35Å; V60-P79 PolarHBondContact N-O 2.72Å; P79-P99 WeakPolarHBondContact CA-O 3.5Å
80	V	69.8	Low	70.9	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.5	173.2	179.5	0	0	0	0	108.1	V56 V60 L63 V76 E82 L83 P99 V100 E101	V56-V80 HydrophobicContact CG1-CG2 4.35Å; V60-V80 VanDerWaalsContact O-CA 3.25Å; V60-V80 WeakPolarHBondContact O-CA 3.4Å; L63-V80 HydrophobicContact CB-CG1 4.04Å; V76-V80 HydrophobicContact CG1-CG2 3.68Å; V80-E82 WeakPolarHBondContact CG1-O 3.37Å; V80-L83 HydrophobicContact CG1-CB 4.15Å; V80-P99 PolarHBondContact N-O 2.64Å; V80-V100 HydrophobicContact CB-CG2 4.44Å; V80-V100 VanDerWaalsContact O-CA 3.27Å; V80-V100 WeakPolarHBondContact O-CA 3.47Å; V80-V100 WeakPolarHBondContact O-CG1 3.35Å; V80-E101 PolarHBondContact O-N 3.31Å
81	E	74.4	Confident	71	Confident	73 Å²	73	37.3 Å²	37.3	34%	0.341	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-51	178.9	-59.9	174.3	-178.7	0	0	109.5	V60 K61 E101 E102	V60-E81 PolarHBondContact O-N 3.37Å; K61-E81 WeakPolarHBondContact CB-OE2 3.31Å; K61-E81 VanDerWaalsContact CG-OE2 3.29Å; K61-E81 WeakPolarHBondContact CG-OE2 3.25Å; K61-E81 IonicContact NZ-OE1 2.67Å; K61-E81 PolarHBondContact NZ-OE1 2.85Å; K61-E81 IonicContact NZ-OE2 2.81Å; K61-E81 PolarHBondContact NZ-OE2 3.39Å; K61-E81 CarbonylContact O-C 3.59Å; K61-E81 VanDerWaalsContact O-CB 3.32Å; K61-E81 WeakPolarHBondContact O-CB 3.39Å; K61-E81 PolarHBondContact O-N 2.91Å; E81-E101 WeakPolarHBondContact O-CB 3.25Å; E81-E101 PolarHBondContact O-N 2.89Å; E81-E102 PolarHBondContact O-N 3.4Å
82	E	73.7	Confident	71.2	Confident	59 Å²	59	40.3 Å²	40.3	28%	0.276	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.3	-178.6	-169	-168.7	158.4	0	0	112.2	K61 E62 L63 V80 S84 E102	K61-E82 PolarHBondContact O-N 2.63Å; E62-E82 WeakPolarHBondContact CA-O 3.29Å; E62-E82 HydrophobicContact CG-CB 4.35Å; L63-E82 PolarHBondContact N-O 2.9Å; V80-E82 WeakPolarHBondContact CG1-O 3.37Å; E82-S84 WeakPolarHBondContact CG-OG 3.49Å; E82-S84 WeakPolarHBondContact OE1-CB 3.27Å; E82-S84 PolarHBondContact OE1-OG 3.01Å; E82-E102 HydrophobicContact CG-CB 4.44Å
83	L	73.9	Confident	71.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.			trans	-113	78.8	176.3	-172.2	62.3	0	0	0	111.1	L63 I73 V76 V80 P85 I93 V100 E102 L103 S104	L63-L83 HydrophobicContact CB-CD1 3.69Å; L63-L83 HydrophobicContact CD2-CD1 3.46Å; L63-L83 VanDerWaalsContact CD2-CD1 3.46Å; L63-L83 HydrophobicContact CG-CD1 3.81Å; I73-L83 HydrophobicContact CD1-CD1 3.81Å; I73-L83 HydrophobicContact CD1-CD2 4.42Å; I73-L83 HydrophobicContact CD1-CG 4.4Å; V76-L83 HydrophobicContact CG2-CD2 4.36Å; V80-L83 HydrophobicContact CG1-CB 4.15Å; L83-P85 WeakPolarHBondContact O-CD 3.2Å; L83-I93 HydrophobicContact CD2-CD1 4.21Å; L83-V100 HydrophobicContact CB-CG1 3.95Å; L83-E102 PolarHBondContact N-O 3.29Å; L83-L103 HydrophobicContact CB-CD1 3.63Å; L83-L103 HydrophobicContact CD2-CD1 3.33Å; L83-L103 HydrophobicContact CG-CD1 3.63Å; L83-S104 PolarHBondContact O-N 2.85Å
84	S	76.3	Confident	71.1	Confident	16 Å²	16	40 Å²	40	11%	0.112	21%	0.212	C	C	.	.			trans	-116.2	67.6	-171.2	-62.4	0	0	0	0	114.4	S64 E82 A86	S64-S84 WeakPolarHBondContact CB-O 3.4Å; E82-S84 WeakPolarHBondContact CG-OG 3.49Å; E82-S84 WeakPolarHBondContact OE1-CB 3.27Å; E82-S84 PolarHBondContact OE1-OG 3.01Å; S84-A86 PolarHBondContact O-N 3.05Å; S84-A86 VanDerWaalsContact O-N 3.14Å
85	P	70.2	Confident	71.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.			trans	-60.8	117.3	174.3	4	-5	0	0	0	112.1	P65 V71 I73 L83 T87 V91 P105 A106	P65-P85 HydrophobicContact CG-CB 3.98Å; V71-P85 HydrophobicContact CB-CB 4.45Å; V71-P85 HydrophobicContact CG1-CB 4.28Å; V71-P85 HydrophobicContact CG2-CB 4.47Å; I73-P85 HydrophobicContact CD1-CG 4.26Å; L83-P85 WeakPolarHBondContact O-CD 3.2Å; P85-T87 HydrophobicContact CB-CG2 4.26Å; P85-V91 HydrophobicContact CB-CG1 4.13Å; P85-V91 HydrophobicContact CB-CG2 3.88Å; P85-V91 HydrophobicContact CG-CG1 3.69Å; P85-V91 HydrophobicContact CG-CG2 4.29Å; P85-P105 HydrophobicContact CG-CB 4.18Å; P85-A106 PolarHBondContact O-N 2.62Å; P85-A106 VanDerWaalsContact O-N 3.14Å
86	A	66.9	Low	71.1	Confident	49 Å²	49	36.6 Å²	36.6	41%	0.405	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	100.8	-179.6	0	0	0	0	0	110.7	P65 A66 T67 S84 A106	P65-A86 PolarHBondContact O-N 3.3Å; A66-A86 WeakPolarHBondContact CA-O 3.42Å; T67-A86 PolarHBondContact N-O 2.95Å; S84-A86 PolarHBondContact O-N 3.05Å; S84-A86 VanDerWaalsContact O-N 3.14Å; A86-A106 WeakPolarHBondContact CA-O 3.2Å
87	T	65.7	Low	71.2	Confident	10 Å²	10	39.4 Å²	39.4	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.8	-171.2	123.5	0	0	0	0	113.4	T67 V71 P85 T89 V91 A106 T107	T67-T87 HydrophobicContact CG2-CG2 4.32Å; T67-T87 VanDerWaalsContact O-CA 3.28Å; T67-T87 WeakPolarHBondContact O-CA 3.22Å; T67-T87 VanDerWaalsContact O-CB 3.28Å; T67-T87 WeakPolarHBondContact O-CB 3.48Å; V71-T87 HydrophobicContact CB-CG2 4.29Å; V71-T87 HydrophobicContact CG2-CG2 3.52Å; P85-T87 HydrophobicContact CB-CG2 4.26Å; T87-T89 VanDerWaalsContact OG1-C 3.31Å; T87-T89 WeakPolarHBondContact OG1-CA 3.23Å; T87-T89 PolarHBondContact OG1-N 2.92Å; T87-T89 PolarHBondContact OG1-O 3.22Å; T87-T89 PolarHBondContact OG1-OG1 3.06Å; T87-V91 HydrophobicContact CG2-CG2 3.66Å; T87-A106 PolarHBondContact N-O 3.45Å; T87-T107 VanDerWaalsContact O-CA 3.26Å; T87-T107 WeakPolarHBondContact O-CA 3.41Å; T87-T107 VanDerWaalsContact O-CB 3.27Å; T87-T107 WeakPolarHBondContact O-CB 3.44Å
88	K	65.6	Low	71.2	Confident	129 Å²	129	39.8 Å²	39.8	56%	0.561	21%	0.21	S	C	*	.	S	Bend	trans	-85.6	5	172.6	-68	-172.3	-178.7	-178.3	0	113.1
89	T	67.3	Low	71	Confident	31 Å²	31	38.9 Å²	38.9	19%	0.19	21%	0.21	C	C	.	.	S	Bend	trans	-138.1	165.2	-167.4	38.1	0	0	0	0	111.1	K68 T69 P70 T87 T109	K68-T89 WeakPolarHBondContact O-CG2 3.4Å; T69-T89 WeakPolarHBondContact CA-OG1 3.45Å; T69-T89 PolarHBondContact N-OG1 3.14Å; T69-T89 PolarHBondContact O-OG1 2.96Å; P70-T89 VanDerWaalsContact N-OG1 3.11Å; T87-T89 VanDerWaalsContact OG1-C 3.31Å; T87-T89 WeakPolarHBondContact OG1-CA 3.23Å; T87-T89 PolarHBondContact OG1-N 2.92Å; T87-T89 PolarHBondContact OG1-O 3.22Å; T87-T89 PolarHBondContact OG1-OG1 3.06Å; T89-T109 WeakPolarHBondContact CA-OG1 3.41Å; T89-T109 PolarHBondContact N-OG1 3.34Å; T89-T109 PolarHBondContact O-OG1 3.01Å
90	P	66.7	Low	71	Confident	60 Å²	60	36.3 Å²	36.3	39%	0.39	19%	0.194	S	C	.	.			trans	-59.2	143.4	-172.3	-26.6	35.1	0	0	0	112.9	P70 V71 T109 P110	P70-P90 WeakPolarHBondContact CA-O 3.27Å; V71-P90 PolarHBondContact N-O 3.14Å; P90-T109 VanDerWaalsContact N-OG1 3.11Å; P90-P110 WeakPolarHBondContact CA-O 3.26Å
91	V	68.9	Low	71.2	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.5	170.6	173.4	0	0	0	0	106.9	V71 P85 T87 I93 P105 T107 V111 L112	V71-V91 HydrophobicContact CB-CG2 4.45Å; P85-V91 HydrophobicContact CB-CG1 4.13Å; P85-V91 HydrophobicContact CB-CG2 3.88Å; P85-V91 HydrophobicContact CG-CG1 3.69Å; P85-V91 HydrophobicContact CG-CG2 4.29Å; T87-V91 HydrophobicContact CG2-CG2 3.66Å; V91-I93 HydrophobicContact CG1-CD1 4.14Å; V91-I93 HydrophobicContact CG1-CG1 4.07Å; V91-P105 HydrophobicContact CG1-CB 4.35Å; V91-T107 HydrophobicContact CB-CG2 4.3Å; V91-T107 HydrophobicContact CG2-CG2 3.58Å; V91-V111 HydrophobicContact CB-CG2 4.48Å; V91-L112 PolarHBondContact O-N 3.31Å
92	L	72.7	Confident	71.2	Confident	65 Å²	65	40.3 Å²	40.3	34%	0.34	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.5	174.6	177	63.7	0	0	0	108.3	V71 L72 I73 L112	V71-L92 PolarHBondContact O-N 3.36Å; L72-L92 WeakPolarHBondContact CA-O 3.26Å; L72-L92 HydrophobicContact CD1-CB 3.72Å; L72-L92 HydrophobicContact CD1-CD2 3.52Å; L72-L92 HydrophobicContact CD1-CG 3.55Å; L72-L92 WeakPolarHBondContact CD1-O 3.4Å; I73-L92 PolarHBondContact N-O 3.35Å; L92-L112 HydrophobicContact CD1-CB 3.82Å; L92-L112 HydrophobicContact CD1-CD2 3.24Å; L92-L112 HydrophobicContact CD1-CG 4.12Å
93	I	75.6	Confident	71.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.5	172.5	-62.5	158.6	0	0	0	106.2	I73 L83 V91 V96 L103 L112 I113 N114	I73-I93 HydrophobicContact CB-CG1 4.3Å; I73-I93 HydrophobicContact CD1-CG1 3.99Å; I73-I93 WeakPolarHBondContact O-CA 3.5Å; L83-I93 HydrophobicContact CD2-CD1 4.21Å; V91-I93 HydrophobicContact CG1-CD1 4.14Å; V91-I93 HydrophobicContact CG1-CG1 4.07Å; I93-V96 HydrophobicContact CG2-CG2 3.65Å; I93-L103 HydrophobicContact CD1-CD1 3.92Å; I93-L112 PolarHBondContact N-O 3.07Å; I93-I113 HydrophobicContact CB-CG1 4.48Å; I93-I113 HydrophobicContact CD1-CG1 4.3Å; I93-I113 WeakPolarHBondContact O-CA 3.35Å; I93-N114 PolarHBondContact O-N 3.11Å
94	N	73.4	Confident	71.2	Confident	54 Å²	54	38.2 Å²	38.2	29%	0.289	20%	0.204	S	C	.	.			trans	-86	-45.7	-170.9	-175.6	67.1	0	0	0	112.6	I73 N74 N114 E115	I73-N94 PolarHBondContact O-N 2.97Å; N74-N94 WeakPolarHBondContact O-CB 3.08Å; N94-N114 WeakPolarHBondContact O-CB 3.25Å; N94-E115 PolarHBondContact O-N 3.41Å
95	E	74.2	Confident	70.9	Confident	26 Å²	26	37.4 Å²	37.4	12%	0.121	20%	0.198	C	C	.	.			trans	-149.7	122.7	-177.8	-150.5	176.6	174	0	0	110.9	N74 E75 V76 K97 K117	N74-E95 PolarHBondContact O-N 3.05Å; E75-E95 WeakPolarHBondContact CA-O 3.48Å; E75-E95 HydrophobicContact CG-CB 4.49Å; V76-E95 PolarHBondContact N-O 2.85Å; E95-K97 HydrophobicContact CG-CG 4.14Å; E95-K97 WeakPolarHBondContact OE1-CE 3.46Å; E95-K97 IonicContact OE1-NZ 2.78Å; E95-K97 PolarHBondContact OE1-NZ 2.83Å; E95-K97 WeakPolarHBondContact OE2-CE 3.28Å; E95-K97 IonicContact OE2-NZ 2.69Å; E95-K97 PolarHBondContact OE2-NZ 3.11Å; E95-K117 HydrophobicContact CG-CD 4.48Å; E95-K117 WeakPolarHBondContact OE1-CE 3.37Å; E95-K117 IonicContact OE1-NZ 2.68Å; E95-K117 PolarHBondContact OE1-NZ 2.95Å
96	V	71.5	Confident	70.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-106.7	112.4	170.5	-179.2	0	0	0	0	107.3	I93 E98 V100 E115 K117	I93-V96 HydrophobicContact CG2-CG2 3.65Å; V96-E98 WeakPolarHBondContact CG1-O 3.31Å; V96-V100 HydrophobicContact CG1-CG2 3.64Å; V96-E115 PolarHBondContact N-O 3.02Å; V96-E115 VanDerWaalsContact N-O 3.11Å; V96-K117 WeakPolarHBondContact O-CB 3.45Å; V96-K117 PolarHBondContact O-N 2.82Å
97	K	73.6	Confident	70.7	Confident	60 Å²	60	37.8 Å²	37.8	26%	0.261	20%	0.2	S	C	.	.			trans	-105.5	-3.8	-174.1	-64.8	-174.3	173.2	168.9	0	114.3	E75 V76 K77 E95 K117 E118	E75-K97 IonicContact OE1-NZ 3.7Å; E75-K97 PolarHBondContact OE1-NZ 3.32Å; V76-K97 WeakPolarHBondContact O-CB 3.45Å; V76-K97 PolarHBondContact O-N 3.42Å; K77-K97 HydrophobicContact CG-CD 4.28Å; E95-K97 HydrophobicContact CG-CG 4.14Å; E95-K97 WeakPolarHBondContact OE1-CE 3.46Å; E95-K97 IonicContact OE1-NZ 2.78Å; E95-K97 PolarHBondContact OE1-NZ 2.83Å; E95-K97 WeakPolarHBondContact OE2-CE 3.28Å; E95-K97 IonicContact OE2-NZ 2.69Å; E95-K97 PolarHBondContact OE2-NZ 3.11Å; K97-K117 HydrophobicContact CG-CD 4.47Å; K97-E118 VanDerWaalsContact O-CG 3.26Å; K97-E118 WeakPolarHBondContact O-CG 3.21Å
98	E	73.5	Confident	70.6	Confident	72 Å²	72	43.2 Å²	43.2	34%	0.336	22%	0.223	S	C	.	.	S	Bend	trans	-139.9	156.5	-178.9	-73.2	-68.3	162.6	0	0	107.8	K77 V96	K77-E98 VanDerWaalsContact O-CG 3.31Å; K77-E98 WeakPolarHBondContact O-CG 3.08Å; V96-E98 WeakPolarHBondContact CG1-O 3.31Å
99	P	68.1	Low	70.6	Confident	53 Å²	53	38.6 Å²	38.6	34%	0.344	21%	0.206	S	C	.	.			trans	-57.2	143.9	-176.3	-24.1	33	0	0	0	113.1	P79 V80 E118 P119	P79-P99 WeakPolarHBondContact CA-O 3.5Å; V80-P99 PolarHBondContact N-O 2.64Å; P99-E118 HydrophobicContact CG-CB 4.37Å; P99-P119 WeakPolarHBondContact CA-O 3.44Å
100	V	69.2	Low	70.5	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123	171.9	178.3	0	0	0	0	107.4	V80 L83 V96 E102 L103 V120 E121	V80-V100 HydrophobicContact CB-CG2 4.44Å; V80-V100 VanDerWaalsContact O-CA 3.27Å; V80-V100 WeakPolarHBondContact O-CA 3.47Å; V80-V100 WeakPolarHBondContact O-CG1 3.35Å; L83-V100 HydrophobicContact CB-CG1 3.95Å; V96-V100 HydrophobicContact CG1-CG2 3.64Å; V100-E102 WeakPolarHBondContact CG1-O 3.45Å; V100-L103 HydrophobicContact CG1-CB 4.2Å; V100-V120 VanDerWaalsContact O-CA 3.31Å; V100-V120 WeakPolarHBondContact O-CA 3.06Å; V100-E121 PolarHBondContact O-N 3.01Å
101	E	73.3	Confident	70.4	Confident	95 Å²	95	37.3 Å²	37.3	44%	0.444	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	-52.4	179	-62.3	176.3	174	0	0	109.3	V80 E81 E121 E122	V80-E101 PolarHBondContact O-N 3.31Å; E81-E101 WeakPolarHBondContact O-CB 3.25Å; E81-E101 PolarHBondContact O-N 2.89Å; E101-E121 WeakPolarHBondContact O-CB 3.31Å; E101-E121 PolarHBondContact O-N 2.8Å; E101-E122 PolarHBondContact O-N 3.45Å
102	E	74	Confident	70.4	Confident	63 Å²	63	39.7 Å²	39.7	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.1	-179.4	-165.2	-170.2	157.5	0	0	112.7	E81 E82 L83 V100 S104 E122	E81-E102 PolarHBondContact O-N 3.4Å; E82-E102 HydrophobicContact CG-CB 4.44Å; L83-E102 PolarHBondContact N-O 3.29Å; V100-E102 WeakPolarHBondContact CG1-O 3.45Å; E102-S104 VanDerWaalsContact CG-OG 3.31Å; E102-S104 WeakPolarHBondContact CG-OG 3.18Å; E102-S104 WeakPolarHBondContact OE1-CB 3.48Å; E102-S104 PolarHBondContact OE1-OG 3.46Å; E102-E122 HydrophobicContact CG-CB 4.33Å
103	L	73.6	Confident	70.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.			trans	-111.7	79.5	176.8	-170.4	58.9	0	0	0	111.7	L83 I93 V100 P105 I113 V120 E122 L123 S124	L83-L103 HydrophobicContact CB-CD1 3.63Å; L83-L103 HydrophobicContact CD2-CD1 3.33Å; L83-L103 HydrophobicContact CG-CD1 3.63Å; I93-L103 HydrophobicContact CD1-CD1 3.92Å; V100-L103 HydrophobicContact CG1-CB 4.2Å; L103-P105 WeakPolarHBondContact O-CD 3.41Å; L103-I113 HydrophobicContact CD2-CD1 3.86Å; L103-I113 HydrophobicContact CG-CD1 4.36Å; L103-V120 HydrophobicContact CB-CG1 3.95Å; L103-E122 PolarHBondContact N-O 3.17Å; L103-L123 HydrophobicContact CB-CD1 3.68Å; L103-L123 HydrophobicContact CD2-CD1 3.54Å; L103-L123 HydrophobicContact CG-CD1 3.71Å; L103-S124 PolarHBondContact O-N 3.39Å
104	S	75.6	Confident	70.1	Confident	15 Å²	15	39 Å²	39	11%	0.105	21%	0.207	C	C	.	.			trans	-115.7	64	-169.4	-67.6	0	0	0	0	114.7	L83 E102 A106	L83-S104 PolarHBondContact O-N 2.85Å; E102-S104 VanDerWaalsContact CG-OG 3.31Å; E102-S104 WeakPolarHBondContact CG-OG 3.18Å; E102-S104 WeakPolarHBondContact OE1-CB 3.48Å; E102-S104 PolarHBondContact OE1-OG 3.46Å; S104-A106 PolarHBondContact O-N 2.9Å; S104-A106 VanDerWaalsContact O-N 3.14Å
105	P	69.4	Low	70	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.			trans	-66.9	116.4	178	25.6	-31.1	0	0	0	111.8	P85 V91 L103 T107 V111 P125 A126	P85-P105 HydrophobicContact CG-CB 4.18Å; V91-P105 HydrophobicContact CG1-CB 4.35Å; L103-P105 WeakPolarHBondContact O-CD 3.41Å; P105-T107 HydrophobicContact CB-CG2 4.49Å; P105-V111 HydrophobicContact CB-CG1 4.09Å; P105-V111 HydrophobicContact CB-CG2 3.99Å; P105-V111 HydrophobicContact CG-CB 4.43Å; P105-V111 HydrophobicContact CG-CG1 3.57Å; P105-V111 HydrophobicContact CG-CG2 4.08Å; P105-P125 HydrophobicContact CG-CB 4.04Å; P105-A126 PolarHBondContact O-N 3.44Å
106	A	66.8	Low	69.8	Low	48 Å²	48	36.8 Å²	36.8	40%	0.397	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.4	-178.7	0	0	0	0	0	111.4	P85 A86 T87 S104	P85-A106 PolarHBondContact O-N 2.62Å; P85-A106 VanDerWaalsContact O-N 3.14Å; A86-A106 WeakPolarHBondContact CA-O 3.2Å; T87-A106 PolarHBondContact N-O 3.45Å; S104-A106 PolarHBondContact O-N 2.9Å; S104-A106 VanDerWaalsContact O-N 3.14Å
107	T	65	Low	69.8	Low	8 Å²	8	40 Å²	40	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	157.9	-174.1	125.4	0	0	0	0	114.4	T87 V91 P105 T109 V111 A126 T127	T87-T107 VanDerWaalsContact O-CA 3.26Å; T87-T107 WeakPolarHBondContact O-CA 3.41Å; T87-T107 VanDerWaalsContact O-CB 3.27Å; T87-T107 WeakPolarHBondContact O-CB 3.44Å; V91-T107 HydrophobicContact CB-CG2 4.3Å; V91-T107 HydrophobicContact CG2-CG2 3.58Å; P105-T107 HydrophobicContact CB-CG2 4.49Å; T107-T109 VanDerWaalsContact C-N 3.28Å; T107-T109 PolarHBondContact OG1-N 3.19Å; T107-T109 PolarHBondContact OG1-O 2.68Å; T107-T109 PolarHBondContact OG1-OG1 2.71Å; T107-V111 HydrophobicContact CG2-CG2 3.56Å; T107-A126 PolarHBondContact N-O 3.34Å; T107-T127 VanDerWaalsContact O-CA 3.31Å; T107-T127 WeakPolarHBondContact O-CA 3.47Å; T107-T127 VanDerWaalsContact O-CB 3.28Å; T107-T127 WeakPolarHBondContact O-CB 3.39Å
108	K	65.1	Low	69.7	Low	124 Å²	124	40.5 Å²	40.5	54%	0.539	21%	0.212	S	C	.	.	S	Bend	trans	-88	4.5	173.1	-68.1	-170.2	179.6	-174.5	0	113.4
109	T	65.4	Low	69.4	Low	32 Å²	32	39.4 Å²	39.4	20%	0.196	21%	0.212	C	C	.	.	S	Bend	trans	-139.8	166.1	-169.1	39.7	0	0	0	0	110.6	T89 P90 T107 V111 T129	T89-T109 WeakPolarHBondContact CA-OG1 3.41Å; T89-T109 PolarHBondContact N-OG1 3.34Å; T89-T109 PolarHBondContact O-OG1 3.01Å; P90-T109 VanDerWaalsContact N-OG1 3.11Å; T107-T109 VanDerWaalsContact C-N 3.28Å; T107-T109 PolarHBondContact OG1-N 3.19Å; T107-T109 PolarHBondContact OG1-O 2.68Å; T107-T109 PolarHBondContact OG1-OG1 2.71Å; T109-V111 PolarHBondContact O-N 3.07Å; T109-T129 WeakPolarHBondContact CA-OG1 3.31Å; T109-T129 PolarHBondContact N-OG1 2.9Å; T109-T129 PolarHBondContact O-OG1 3.07Å; T109-T129 VanDerWaalsContact O-OG1 3.05Å
110	P	64.5	Low	69.4	Low	63 Å²	63	37 Å²	37	41%	0.409	20%	0.195	S	C	.	.			trans	-59.2	139.7	-172.1	-27	35.6	0	0	0	113	P90 T129 P130	P90-P110 WeakPolarHBondContact CA-O 3.26Å; P110-T129 VanDerWaalsContact N-OG1 3.14Å; P110-P130 WeakPolarHBondContact CA-O 3.32Å
111	V	65.9	Low	69.4	Low	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.1	168.3	176	0	0	0	0	106.9	V91 P105 T107 T109 I113 T127 V131 L132	V91-V111 HydrophobicContact CB-CG2 4.48Å; P105-V111 HydrophobicContact CB-CG1 4.09Å; P105-V111 HydrophobicContact CB-CG2 3.99Å; P105-V111 HydrophobicContact CG-CB 4.43Å; P105-V111 HydrophobicContact CG-CG1 3.57Å; P105-V111 HydrophobicContact CG-CG2 4.08Å; T107-V111 HydrophobicContact CG2-CG2 3.56Å; T109-V111 PolarHBondContact O-N 3.07Å; V111-I113 HydrophobicContact CG1-CD1 4.38Å; V111-I113 HydrophobicContact CG1-CG1 4.08Å; V111-T127 HydrophobicContact CG2-CG2 3.8Å; V111-V131 HydrophobicContact CB-CG1 4.43Å; V111-L132 PolarHBondContact O-N 3.02Å; V111-L132 VanDerWaalsContact O-N 3.09Å
112	L	68.1	Low	69.2	Low	52 Å²	52	39.9 Å²	39.9	27%	0.272	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.4	174.3	-164.5	119	0	0	0	108.8	V91 L92 I93 N114 L132	V91-L112 PolarHBondContact O-N 3.31Å; L92-L112 HydrophobicContact CD1-CB 3.82Å; L92-L112 HydrophobicContact CD1-CD2 3.24Å; L92-L112 HydrophobicContact CD1-CG 4.12Å; I93-L112 PolarHBondContact N-O 3.07Å; L112-N114 HydrophobicContact CD2-CB 4.42Å; L112-L132 HydrophobicContact CD1-CB 4.05Å; L112-L132 HydrophobicContact CD1-CD2 3.45Å; L112-L132 VanDerWaalsContact CD1-CD2 3.45Å; L112-L132 HydrophobicContact CD1-CG 4.36Å; L112-L132 HydrophobicContact CG-CD2 4.35Å
113	I	71.9	Confident	69.1	Low	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.7	172.4	-58.8	169.5	0	0	0	105.7	I93 L103 V111 V116 L123 L132 I133 N134	I93-I113 HydrophobicContact CB-CG1 4.48Å; I93-I113 HydrophobicContact CD1-CG1 4.3Å; I93-I113 WeakPolarHBondContact O-CA 3.35Å; L103-I113 HydrophobicContact CD2-CD1 3.86Å; L103-I113 HydrophobicContact CG-CD1 4.36Å; V111-I113 HydrophobicContact CG1-CD1 4.38Å; V111-I113 HydrophobicContact CG1-CG1 4.08Å; I113-V116 HydrophobicContact CG2-CG2 3.53Å; I113-L123 HydrophobicContact CD1-CD1 4.02Å; I113-L132 PolarHBondContact N-O 2.75Å; I113-L132 VanDerWaalsContact N-O 3.09Å; I113-I133 HydrophobicContact CD1-CG1 4.5Å; I113-N134 PolarHBondContact O-N 3.21Å
114	N	69.4	Low	69	Low	51 Å²	51	37.7 Å²	37.7	27%	0.273	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-45.8	-170.3	-173	65.8	0	0	0	112.7	I93 N94 L112 N134 E135	I93-N114 PolarHBondContact O-N 3.11Å; N94-N114 WeakPolarHBondContact O-CB 3.25Å; L112-N114 HydrophobicContact CD2-CB 4.42Å; N114-N134 WeakPolarHBondContact O-CB 2.99Å; N114-N134 PolarHBondContact OD1-ND2 2.95Å; N114-E135 PolarHBondContact O-N 3.14Å
115	E	72	Confident	68.6	Low	33 Å²	33	37 Å²	37	15%	0.154	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	122.8	-179.2	-161.1	176.2	176.6	0	0	110.5	N94 V96 K117 K137	N94-E115 PolarHBondContact O-N 3.41Å; V96-E115 PolarHBondContact N-O 3.02Å; V96-E115 VanDerWaalsContact N-O 3.11Å; E115-K117 HydrophobicContact CG-CG 4.05Å; E115-K117 WeakPolarHBondContact OE1-CE 3.37Å; E115-K117 IonicContact OE1-NZ 3.06Å; E115-K137 VanDerWaalsContact OE1-CE 3.27Å; E115-K137 WeakPolarHBondContact OE1-CE 3.28Å; E115-K137 IonicContact OE1-NZ 2.6Å; E115-K137 PolarHBondContact OE1-NZ 3.42Å
116	V	69.8	Low	68.4	Low	1 Å²	1	39.2 Å²	39.2	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.2	170.7	-179.6	0	0	0	0	106.9	I113 E118 V120 E135 K137	I113-V116 HydrophobicContact CG2-CG2 3.53Å; V116-E118 WeakPolarHBondContact CG1-O 3.47Å; V116-V120 HydrophobicContact CG1-CG2 3.68Å; V116-E135 PolarHBondContact N-O 2.67Å; V116-E135 VanDerWaalsContact N-O 3.09Å; V116-K137 PolarHBondContact O-N 2.62Å
117	K	72.1	Confident	68.2	Low	67 Å²	67	37.3 Å²	37.3	29%	0.291	20%	0.197	S	C	.	.			trans	-100.4	-10.1	-173.8	-67.7	-169.8	167.8	177.5	0	114.8	E95 V96 K97 E115 K137 E138	E95-K117 HydrophobicContact CG-CD 4.48Å; E95-K117 WeakPolarHBondContact OE1-CE 3.37Å; E95-K117 IonicContact OE1-NZ 2.68Å; E95-K117 PolarHBondContact OE1-NZ 2.95Å; V96-K117 WeakPolarHBondContact O-CB 3.45Å; V96-K117 PolarHBondContact O-N 2.82Å; K97-K117 HydrophobicContact CG-CD 4.47Å; E115-K117 HydrophobicContact CG-CG 4.05Å; E115-K117 WeakPolarHBondContact OE1-CE 3.37Å; E115-K117 IonicContact OE1-NZ 3.06Å; K117-K137 HydrophobicContact CG-CD 4.4Å; K117-E138 WeakPolarHBondContact O-CG 3.27Å
118	E	71.9	Confident	68	Low	71 Å²	71	43.5 Å²	43.5	33%	0.332	22%	0.224	S	C	.	.	S	Bend	trans	-136.1	158.9	-176.1	-71.1	-67	160.6	0	0	108.2	K97 P99 V116	K97-E118 VanDerWaalsContact O-CG 3.26Å; K97-E118 WeakPolarHBondContact O-CG 3.21Å; P99-E118 HydrophobicContact CG-CB 4.37Å; V116-E118 WeakPolarHBondContact CG1-O 3.47Å
119	P	66.4	Low	67.8	Low	50 Å²	50	39.2 Å²	39.2	33%	0.325	21%	0.208	S	C	.	.			trans	-57.6	148.7	-176.6	-23.3	32.4	0	0	0	113.4	P99 E138 P139	P99-P119 WeakPolarHBondContact CA-O 3.44Å; P119-E138 HydrophobicContact CG-CB 4.19Å; P119-P139 WeakPolarHBondContact CA-O 3.05Å
120	V	67.1	Low	67.6	Low	1 Å²	1	41 Å²	41	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.7	172.1	177.5	0	0	0	0	107.6	V100 L103 V116 E122 L123 V140 E141	V100-V120 VanDerWaalsContact O-CA 3.31Å; V100-V120 WeakPolarHBondContact O-CA 3.06Å; L103-V120 HydrophobicContact CB-CG1 3.95Å; V116-V120 HydrophobicContact CG1-CG2 3.68Å; V120-E122 WeakPolarHBondContact CG1-O 3.27Å; V120-L123 HydrophobicContact CG1-CB 4.27Å; V120-L123 HydrophobicContact CG1-CD1 4.5Å; V120-V140 VanDerWaalsContact O-CA 3.32Å; V120-V140 WeakPolarHBondContact O-CA 3.31Å; V120-E141 PolarHBondContact O-N 3.36Å
121	E	69.2	Low	67.5	Low	97 Å²	97	38.1 Å²	38.1	45%	0.453	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-51.8	179.3	-64	-178.4	171.2	0	0	109.8	V100 E101 E141 E142	V100-E121 PolarHBondContact O-N 3.01Å; E101-E121 WeakPolarHBondContact O-CB 3.31Å; E101-E121 PolarHBondContact O-N 2.8Å; E121-E141 CarbonylContact O-C 3.59Å; E121-E141 WeakPolarHBondContact O-CB 3.32Å; E121-E142 PolarHBondContact O-N 3.09Å
122	E	70.7	Confident	67.5	Low	60 Å²	60	39.9 Å²	39.9	28%	0.28	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.9	180	-163.9	-170.5	156.4	0	0	112.6	E101 E102 L103 V120 S124 E142	E101-E122 PolarHBondContact O-N 3.45Å; E102-E122 HydrophobicContact CG-CB 4.33Å; L103-E122 PolarHBondContact N-O 3.17Å; V120-E122 WeakPolarHBondContact CG1-O 3.27Å; E122-S124 VanDerWaalsContact CG-OG 3.31Å; E122-S124 WeakPolarHBondContact CG-OG 3.18Å; E122-S124 VanDerWaalsContact OE1-CB 3.32Å; E122-S124 WeakPolarHBondContact OE1-CB 2.83Å; E122-S124 PolarHBondContact OE1-OG 2.9Å; E122-E142 HydrophobicContact CG-CB 4.34Å
123	L	70.5	Confident	67.5	Low	2 Å²	2	37.4 Å²	37.4	1%	0.01	20%	0.198	C	C	.	.			trans	-111.4	82.6	177.1	-168.6	59.9	0	0	0	111.3	L103 I113 V120 P125 I133 V140 E142 L143 S144	L103-L123 HydrophobicContact CB-CD1 3.68Å; L103-L123 HydrophobicContact CD2-CD1 3.54Å; L103-L123 HydrophobicContact CG-CD1 3.71Å; I113-L123 HydrophobicContact CD1-CD1 4.02Å; V120-L123 HydrophobicContact CG1-CB 4.27Å; V120-L123 HydrophobicContact CG1-CD1 4.5Å; L123-P125 WeakPolarHBondContact O-CD 3.15Å; L123-I133 HydrophobicContact CD2-CD1 3.65Å; L123-I133 HydrophobicContact CG-CD1 4.32Å; L123-V140 HydrophobicContact CB-CG1 3.84Å; L123-V140 HydrophobicContact CD2-CG2 4.48Å; L123-E142 PolarHBondContact N-O 3.09Å; L123-L143 HydrophobicContact CB-CD1 3.9Å; L123-L143 HydrophobicContact CD2-CD1 3.66Å; L123-L143 HydrophobicContact CG-CD1 3.91Å; L123-S144 PolarHBondContact O-N 3.11Å
124	S	72.8	Confident	67.1	Low	16 Å²	16	39 Å²	39	11%	0.112	21%	0.206	C	C	.	.			trans	-115.9	62.6	-168.9	-71.2	0	0	0	0	114.8	L103 E122 A126 S144	L103-S124 PolarHBondContact O-N 3.39Å; E122-S124 VanDerWaalsContact CG-OG 3.31Å; E122-S124 WeakPolarHBondContact CG-OG 3.18Å; E122-S124 VanDerWaalsContact OE1-CB 3.32Å; E122-S124 WeakPolarHBondContact OE1-CB 2.83Å; E122-S124 PolarHBondContact OE1-OG 2.9Å; S124-A126 PolarHBondContact O-N 3.42Å; S124-A126 VanDerWaalsContact O-N 3.11Å; S124-S144 WeakPolarHBondContact OG-CB 3.48Å
125	P	67.3	Low	67.1	Low	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.			trans	-69.1	113.8	179.9	27.8	-32.4	0	0	0	111.8	P105 L123 T127 V131 P145	P105-P125 HydrophobicContact CG-CB 4.04Å; L123-P125 WeakPolarHBondContact O-CD 3.15Å; P125-T127 HydrophobicContact CB-CG2 4.39Å; P125-V131 HydrophobicContact CB-CG1 4.09Å; P125-V131 HydrophobicContact CB-CG2 3.9Å; P125-V131 HydrophobicContact CG-CB 4.43Å; P125-V131 HydrophobicContact CG-CG1 3.81Å; P125-V131 HydrophobicContact CG-CG2 4.04Å; P125-P145 HydrophobicContact CG-CB 4.11Å
126	A	65.4	Low	66.8	Low	46 Å²	46	37.4 Å²	37.4	38%	0.38	20%	0.197	S	C	.	.			trans	-96.9	101.6	179.6	0	0	0	0	0	111.5	P105 T107 S124	P105-A126 PolarHBondContact O-N 3.44Å; T107-A126 PolarHBondContact N-O 3.34Å; S124-A126 PolarHBondContact O-N 3.42Å; S124-A126 VanDerWaalsContact O-N 3.11Å
127	T	61.3	Low	66.7	Low	8 Å²	8	40.3 Å²	40.3	5%	0.049	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-144.6	155.1	-175	125.9	0	0	0	0	115	T107 V111 P125 T129 V131	T107-T127 VanDerWaalsContact O-CA 3.31Å; T107-T127 WeakPolarHBondContact O-CA 3.47Å; T107-T127 VanDerWaalsContact O-CB 3.28Å; T107-T127 WeakPolarHBondContact O-CB 3.39Å; V111-T127 HydrophobicContact CG2-CG2 3.8Å; P125-T127 HydrophobicContact CB-CG2 4.39Å; T127-T129 VanDerWaalsContact C-N 3.31Å; T127-T129 PolarHBondContact OG1-N 3.04Å; T127-T129 PolarHBondContact OG1-O 2.68Å; T127-T129 PolarHBondContact OG1-OG1 2.8Å; T127-V131 HydrophobicContact CG2-CG2 3.53Å
128	K	61.6	Low	66.5	Low	139 Å²	139	40.4 Å²	40.4	60%	0.604	21%	0.211	S	C	*	.	S	Bend	trans	-88.8	5.5	173.7	-66.3	-168.3	178.5	-169.7	0	113.5	T149	K128-T149 WeakPolarHBondContact O-CG2 3.37Å
129	T	60.8	Low	66.1	Low	33 Å²	33	39 Å²	39	20%	0.202	21%	0.208	C	C	.	.	S	Bend	trans	-139.1	165.5	-172.3	42.2	0	0	0	0	110.5	T109 P110 T127 V131 T149	T109-T129 WeakPolarHBondContact CA-OG1 3.31Å; T109-T129 PolarHBondContact N-OG1 2.9Å; T109-T129 PolarHBondContact O-OG1 3.07Å; T109-T129 VanDerWaalsContact O-OG1 3.05Å; P110-T129 VanDerWaalsContact N-OG1 3.14Å; T127-T129 VanDerWaalsContact C-N 3.31Å; T127-T129 PolarHBondContact OG1-N 3.04Å; T127-T129 PolarHBondContact OG1-O 2.68Å; T127-T129 PolarHBondContact OG1-OG1 2.8Å; T129-V131 PolarHBondContact O-N 2.65Å; T129-T149 VanDerWaalsContact CA-OG1 3.27Å; T129-T149 WeakPolarHBondContact CA-OG1 3.43Å; T129-T149 PolarHBondContact N-OG1 3.39Å; T129-T149 PolarHBondContact O-OG1 3.09Å
130	P	61.1	Low	66	Low	71 Å²	71	36.7 Å²	36.7	46%	0.461	19%	0.193	S	C	.	.			trans	-59.6	138.2	-175.9	-25.3	35.1	0	0	0	112.7	P110	P110-P130 WeakPolarHBondContact CA-O 3.32Å
131	V	63.1	Low	65.9	Low	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.7	167.5	-179.4	0	0	0	0	106.9	V111 P125 T127 T129 I133 T147 V151 L152	V111-V131 HydrophobicContact CB-CG1 4.43Å; P125-V131 HydrophobicContact CB-CG1 4.09Å; P125-V131 HydrophobicContact CB-CG2 3.9Å; P125-V131 HydrophobicContact CG-CB 4.43Å; P125-V131 HydrophobicContact CG-CG1 3.81Å; P125-V131 HydrophobicContact CG-CG2 4.04Å; T127-V131 HydrophobicContact CG2-CG2 3.53Å; T129-V131 PolarHBondContact O-N 2.65Å; V131-I133 HydrophobicContact CG1-CD1 4.43Å; V131-I133 HydrophobicContact CG1-CG1 4.04Å; V131-T147 HydrophobicContact CG2-CG2 4.26Å; V131-V151 HydrophobicContact CB-CG1 4.39Å; V131-L152 PolarHBondContact O-N 3.48Å; V131-L152 VanDerWaalsContact O-N 3.13Å
132	L	64.9	Low	65.6	Low	38 Å²	38	39.4 Å²	39.4	20%	0.199	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.4	174.9	-166.9	91.2	0	0	0	108.7	I2 V111 L112 I113 N134 L152	I2-L132 HydrophobicContact CD1-CD2 4.43Å; V111-L132 PolarHBondContact O-N 3.02Å; V111-L132 VanDerWaalsContact O-N 3.09Å; L112-L132 HydrophobicContact CD1-CB 4.05Å; L112-L132 HydrophobicContact CD1-CD2 3.45Å; L112-L132 VanDerWaalsContact CD1-CD2 3.45Å; L112-L132 HydrophobicContact CD1-CG 4.36Å; L112-L132 HydrophobicContact CG-CD2 4.35Å; I113-L132 PolarHBondContact N-O 2.75Å; I113-L132 VanDerWaalsContact N-O 3.09Å; L132-N134 WeakPolarHBondContact CD2-OD1 3.08Å; L132-L152 HydrophobicContact CD1-CB 4.15Å; L132-L152 HydrophobicContact CD1-CD2 3.41Å; L132-L152 VanDerWaalsContact CD1-CD2 3.41Å; L132-L152 HydrophobicContact CD1-CG 4.38Å
133	I	68.2	Low	65.3	Low	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114.8	171.7	-52.3	175.3	0	0	0	106.1	I113 L123 V131 V136 L152 I153 N154	I113-I133 HydrophobicContact CD1-CG1 4.5Å; L123-I133 HydrophobicContact CD2-CD1 3.65Å; L123-I133 HydrophobicContact CG-CD1 4.32Å; V131-I133 HydrophobicContact CG1-CD1 4.43Å; V131-I133 HydrophobicContact CG1-CG1 4.04Å; I133-V136 HydrophobicContact CG2-CG2 3.46Å; I133-V136 VanDerWaalsContact CG2-CG2 3.46Å; I133-L152 PolarHBondContact N-O 2.62Å; I133-I153 HydrophobicContact CB-CG1 4.41Å; I133-I153 HydrophobicContact CB-CG2 4.32Å; I133-I153 HydrophobicContact CD1-CD1 4.4Å; I133-I153 HydrophobicContact CD1-CG1 4.36Å; I133-N154 PolarHBondContact O-N 2.65Å
134	N	64.5	Low	65.1	Low	33 Å²	33	37.5 Å²	37.5	18%	0.176	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-52.6	-171.7	-98.2	-9.4	0	0	0	112.4	I113 N114 L132 N154 E155	I113-N134 PolarHBondContact O-N 3.21Å; N114-N134 WeakPolarHBondContact O-CB 2.99Å; N114-N134 PolarHBondContact OD1-ND2 2.95Å; L132-N134 WeakPolarHBondContact CD2-OD1 3.08Å; N134-N154 VanDerWaalsContact O-CB 3.29Å; N134-N154 WeakPolarHBondContact O-CB 3.46Å; N134-N154 PolarHBondContact OD1-ND2 3.09Å; N134-E155 PolarHBondContact O-N 3Å
135	E	67.7	Low	64.6	Low	45 Å²	45	36.9 Å²	36.9	21%	0.21	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	120.7	-176	-163.8	177.5	173.3	0	0	109.5	N114 V116 K137 K157	N114-E135 PolarHBondContact O-N 3.14Å; V116-E135 PolarHBondContact N-O 2.67Å; V116-E135 VanDerWaalsContact N-O 3.09Å; E135-K137 HydrophobicContact CG-CG 4.1Å; E135-K137 WeakPolarHBondContact OE1-CE 2.82Å; E135-K137 IonicContact OE1-NZ 3.69Å; E135-K157 WeakPolarHBondContact OE1-CE 2.84Å; E135-K157 IonicContact OE1-NZ 2.81Å; E135-K157 PolarHBondContact OE1-NZ 3.38Å
136	V	67.2	Low	64.3	Low	5 Å²	5	39.4 Å²	39.4	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.9	170.2	-178.1	0	0	0	0	106.6	I133 E138 V140 E155 K157	I133-V136 HydrophobicContact CG2-CG2 3.46Å; I133-V136 VanDerWaalsContact CG2-CG2 3.46Å; V136-E138 WeakPolarHBondContact CG1-O 3.15Å; V136-V140 HydrophobicContact CG1-CG2 3.76Å; V136-E155 PolarHBondContact N-O 2.82Å; V136-E155 VanDerWaalsContact N-O 3.09Å; V136-K157 PolarHBondContact O-N 2.84Å
137	K	67.3	Low	63.8	Low	62 Å²	62	37.6 Å²	37.6	27%	0.27	20%	0.199	S	C	.	.			trans	-93.3	-21	-173.4	-70.1	-170.8	169.8	172.4	0	114.5	E115 V116 K117 E135 K157 E158	E115-K137 VanDerWaalsContact OE1-CE 3.27Å; E115-K137 WeakPolarHBondContact OE1-CE 3.28Å; E115-K137 IonicContact OE1-NZ 2.6Å; E115-K137 PolarHBondContact OE1-NZ 3.42Å; V116-K137 PolarHBondContact O-N 2.62Å; K117-K137 HydrophobicContact CG-CD 4.4Å; E135-K137 HydrophobicContact CG-CG 4.1Å; E135-K137 WeakPolarHBondContact OE1-CE 2.82Å; E135-K137 IonicContact OE1-NZ 3.69Å; K137-K157 HydrophobicContact CG-CD 4.35Å; K137-E158 VanDerWaalsContact O-CG 3.24Å; K137-E158 WeakPolarHBondContact O-CG 3.29Å
138	E	68.5	Low	63.6	Low	70 Å²	70	45.2 Å²	45.2	33%	0.327	23%	0.232	S	C	.	.	S	Bend	trans	-129	157.6	-174.2	-70.5	-66	157.9	0	0	108.4	K117 P119 V136	K117-E138 WeakPolarHBondContact O-CG 3.27Å; P119-E138 HydrophobicContact CG-CB 4.19Å; V136-E138 WeakPolarHBondContact CG1-O 3.15Å
139	P	63.4	Low	63.2	Low	40 Å²	40	40.1 Å²	40.1	26%	0.26	21%	0.213	S	C	.	.			trans	-62.4	154.1	-173.5	22.1	-31.4	0	0	0	113.4	P119 E158 P159	P119-P139 WeakPolarHBondContact CA-O 3.05Å; P139-E158 HydrophobicContact CB-CB 4.36Å; P139-P159 VanDerWaalsContact CA-O 3.28Å; P139-P159 WeakPolarHBondContact CA-O 3.11Å; P139-P159 WeakPolarHBondContact CB-O 3.38Å
140	V	62.7	Low	63	Low	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.5	174.7	177.9	0	0	0	0	107.4	V120 L123 V136 L143 P159 V160 E161	V120-V140 VanDerWaalsContact O-CA 3.32Å; V120-V140 WeakPolarHBondContact O-CA 3.31Å; L123-V140 HydrophobicContact CB-CG1 3.84Å; L123-V140 HydrophobicContact CD2-CG2 4.48Å; V136-V140 HydrophobicContact CG1-CG2 3.76Å; V140-L143 HydrophobicContact CG1-CB 4.43Å; V140-P159 PolarHBondContact N-O 3.49Å; V140-V160 HydrophobicContact CB-CG1 4.49Å; V140-V160 HydrophobicContact CB-CG2 4.47Å; V140-V160 VanDerWaalsContact O-CA 3.32Å; V140-V160 WeakPolarHBondContact O-CA 3.25Å; V140-E161 PolarHBondContact O-N 3.42Å; V140-E161 VanDerWaalsContact O-N 3.1Å
141	E	65	Low	62.8	Low	94 Å²	94	38.5 Å²	38.5	44%	0.439	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-50.5	-178.7	-64.6	-173.1	166.2	0	0	110.3	V120 E121 E162	V120-E141 PolarHBondContact O-N 3.36Å; E121-E141 CarbonylContact O-C 3.59Å; E121-E141 WeakPolarHBondContact O-CB 3.32Å; E141-E162 WeakPolarHBondContact O-CA 3.38Å; E141-E162 WeakPolarHBondContact O-CB 3.38Å; E141-E162 PolarHBondContact O-N 3.35Å
142	E	63.8	Low	62.7	Low	61 Å²	61	40.9 Å²	40.9	29%	0.285	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.2	180	-166.7	-174	163.3	0	0	112.5	E121 E122 L123 S144 E162	E121-E142 PolarHBondContact O-N 3.09Å; E122-E142 HydrophobicContact CG-CB 4.34Å; L123-E142 PolarHBondContact N-O 3.09Å; E142-S144 WeakPolarHBondContact CG-OG 2.86Å; E142-S144 WeakPolarHBondContact OE1-CB 3.36Å; E142-S144 PolarHBondContact OE1-OG 3.18Å; E142-E162 HydrophobicContact CB-CB 4.42Å; E142-E162 HydrophobicContact CG-CB 4.19Å
143	L	63.9	Low	62.6	Low	6 Å²	6	39.2 Å²	39.2	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	89.2	175	-173.9	69.9	0	0	0	110.8	L123 V140 P145 I153 V160 E162 L163 S164	L123-L143 HydrophobicContact CB-CD1 3.9Å; L123-L143 HydrophobicContact CD2-CD1 3.66Å; L123-L143 HydrophobicContact CG-CD1 3.91Å; V140-L143 HydrophobicContact CG1-CB 4.43Å; L143-P145 WeakPolarHBondContact O-CD 3.28Å; L143-I153 HydrophobicContact CD1-CD1 4.29Å; L143-I153 HydrophobicContact CD2-CD1 3.45Å; L143-I153 VanDerWaalsContact CD2-CD1 3.45Å; L143-I153 HydrophobicContact CG-CD1 4.43Å; L143-V160 HydrophobicContact CB-CG1 3.61Å; L143-V160 HydrophobicContact CD2-CG1 4.3Å; L143-E162 PolarHBondContact N-O 3.37Å; L143-L163 HydrophobicContact CB-CG 4.49Å; L143-L163 HydrophobicContact CD2-CD2 3.96Å; L143-L163 HydrophobicContact CD2-CG 4.17Å; L143-S164 PolarHBondContact O-N 3.01Å
144	S	67.1	Low	62.3	Low	16 Å²	16	41.7 Å²	41.7	11%	0.112	22%	0.219	C	C	.	.			trans	-116.7	59.3	-170.6	-78.9	0	0	0	0	114.6	L123 S124 E142 A146 S164	L123-S144 PolarHBondContact O-N 3.11Å; S124-S144 WeakPolarHBondContact OG-CB 3.48Å; E142-S144 WeakPolarHBondContact CG-OG 2.86Å; E142-S144 WeakPolarHBondContact OE1-CB 3.36Å; E142-S144 PolarHBondContact OE1-OG 3.18Å; S144-A146 PolarHBondContact O-N 3.09Å; S144-A146 VanDerWaalsContact O-N 3.09Å; S144-S164 VanDerWaalsContact OG-CB 3.25Å; S144-S164 WeakPolarHBondContact OG-CB 3.16Å; S144-S164 PolarHBondContact OG-O 3.13Å
145	P	61.5	Low	62.2	Low	3 Å²	3	42.4 Å²	42.4	2%	0.019	22%	0.222	C	C	.	.			trans	-70.6	113	-178.1	29.5	-34.9	0	0	0	112.1	P125 L143 T147 V151 P165 T167	P125-P145 HydrophobicContact CG-CB 4.11Å; L143-P145 WeakPolarHBondContact O-CD 3.28Å; P145-T147 HydrophobicContact CB-CG2 4.35Å; P145-T147 PolarHBondContact O-N 3.3Å; P145-V151 HydrophobicContact CB-CG1 4.49Å; P145-V151 HydrophobicContact CB-CG2 3.68Å; P145-V151 HydrophobicContact CG-CB 4.48Å; P145-V151 HydrophobicContact CG-CG1 4.35Å; P145-V151 HydrophobicContact CG-CG2 3.84Å; P145-P165 HydrophobicContact CG-CB 4.14Å; P145-T167 WeakPolarHBondContact O-CG2 3.24Å
146	A	61.7	Low	61.9	Low	53 Å²	53	40.8 Å²	40.8	44%	0.438	22%	0.215	S	C	.	.			trans	-88.1	90.7	175.2	0	0	0	0	0	111.5	S144	S144-A146 PolarHBondContact O-N 3.09Å; S144-A146 VanDerWaalsContact O-N 3.09Å
147	T	55.1	Low	61.6	Low	8 Å²	8	43.7 Å²	43.7	5%	0.049	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-135.4	157	-172.9	71.5	0	0	0	0	114.6	V131 P145 T149 V151	V131-T147 HydrophobicContact CG2-CG2 4.26Å; P145-T147 HydrophobicContact CB-CG2 4.35Å; P145-T147 PolarHBondContact O-N 3.3Å; T147-T149 PolarHBondContact OG1-O 3.04Å; T147-V151 HydrophobicContact CG2-CG2 4.13Å
148	K	55.7	Low	61.3	Low	169 Å²	169	44.2 Å²	44.2	74%	0.735	23%	0.23	S	C	*	.	S	Bend	trans	-100.4	8.8	170.5	-66.8	-167.9	177.4	-167.9	0	112.9
149	T	53	Low	60.6	Low	32 Å²	32	42.1 Å²	42.1	20%	0.196	22%	0.223	C	C	.	.	S	Bend	trans	-143.2	153.8	-173.2	46.9	0	0	0	0	109.4	K128 T129 T147 V151 T169	K128-T149 WeakPolarHBondContact O-CG2 3.37Å; T129-T149 VanDerWaalsContact CA-OG1 3.27Å; T129-T149 WeakPolarHBondContact CA-OG1 3.43Å; T129-T149 PolarHBondContact N-OG1 3.39Å; T129-T149 PolarHBondContact O-OG1 3.09Å; T147-T149 PolarHBondContact OG1-O 3.04Å; T149-V151 PolarHBondContact O-N 3.27Å; T149-T169 PolarHBondContact N-OG1 3.31Å
150	P	56.7	Low	60.1	Low	68 Å²	68	40.8 Å²	40.8	44%	0.442	21%	0.214	S	C	.	.			trans	-56.3	139.1	-174.8	-24.7	34	0	0	0	113.5
151	V	57.9	Low	59.7	Low	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.2	166.9	-178.5	0	0	0	0	106.4	V131 P145 T147 T149 I153 L172	V131-V151 HydrophobicContact CB-CG1 4.39Å; P145-V151 HydrophobicContact CB-CG1 4.49Å; P145-V151 HydrophobicContact CB-CG2 3.68Å; P145-V151 HydrophobicContact CG-CB 4.48Å; P145-V151 HydrophobicContact CG-CG1 4.35Å; P145-V151 HydrophobicContact CG-CG2 3.84Å; T147-V151 HydrophobicContact CG2-CG2 4.13Å; T149-V151 PolarHBondContact O-N 3.27Å; V151-I153 HydrophobicContact CG1-CD1 4.45Å; V151-I153 HydrophobicContact CG1-CG1 4.12Å; V151-L172 PolarHBondContact O-N 3.3Å
152	L	60.9	Low	59.1	Low	52 Å²	52	44.2 Å²	44.2	27%	0.272	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.2	178.2	-169.9	107.6	0	0	0	108.5	V131 L132 I133 N154 L172	V131-L152 PolarHBondContact O-N 3.48Å; V131-L152 VanDerWaalsContact O-N 3.13Å; L132-L152 HydrophobicContact CD1-CB 4.15Å; L132-L152 HydrophobicContact CD1-CD2 3.41Å; L132-L152 VanDerWaalsContact CD1-CD2 3.41Å; L132-L152 HydrophobicContact CD1-CG 4.38Å; I133-L152 PolarHBondContact N-O 2.62Å; L152-N154 VanDerWaalsContact CD2-OD1 3.22Å; L152-N154 WeakPolarHBondContact CD2-OD1 3.37Å; L152-L172 HydrophobicContact CD1-CB 4.23Å; L152-L172 HydrophobicContact CD1-CD2 3.57Å
153	I	63.9	Low	58.5	Low	3 Å²	3	42.8 Å²	42.8	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.8	174.2	-50.9	-179.7	0	0	0	106.6	I133 L143 V151 V156 L172 N174	I133-I153 HydrophobicContact CB-CG1 4.41Å; I133-I153 HydrophobicContact CB-CG2 4.32Å; I133-I153 HydrophobicContact CD1-CD1 4.4Å; I133-I153 HydrophobicContact CD1-CG1 4.36Å; L143-I153 HydrophobicContact CD1-CD1 4.29Å; L143-I153 HydrophobicContact CD2-CD1 3.45Å; L143-I153 VanDerWaalsContact CD2-CD1 3.45Å; L143-I153 HydrophobicContact CG-CD1 4.43Å; V151-I153 HydrophobicContact CG1-CD1 4.45Å; V151-I153 HydrophobicContact CG1-CG1 4.12Å; I153-V156 HydrophobicContact CB-CG2 4.39Å; I153-V156 HydrophobicContact CG2-CG2 3.34Å; I153-L172 PolarHBondContact N-O 3.25Å; I153-N174 PolarHBondContact O-N 3.03Å
154	N	60.3	Low	58.1	Low	52 Å²	52	43.3 Å²	43.3	28%	0.278	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-49.4	-171.3	-88.5	-26.2	0	0	0	112.2	I133 N134 L152 N174	I133-N154 PolarHBondContact O-N 2.65Å; N134-N154 VanDerWaalsContact O-CB 3.29Å; N134-N154 WeakPolarHBondContact O-CB 3.46Å; N134-N154 PolarHBondContact OD1-ND2 3.09Å; L152-N154 VanDerWaalsContact CD2-OD1 3.22Å; L152-N154 WeakPolarHBondContact CD2-OD1 3.37Å; N154-N174 WeakPolarHBondContact O-CB 3.49Å; N154-N174 PolarHBondContact OD1-ND2 3.33Å
155	E	62.8	Low	57.5	Low	48 Å²	48	43 Å²	43	22%	0.224	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	120.9	-179	-163.8	177.6	171.1	0	0	109.6	N134 V136 K157 K177	N134-E155 PolarHBondContact O-N 3Å; V136-E155 PolarHBondContact N-O 2.82Å; V136-E155 VanDerWaalsContact N-O 3.09Å; E155-K157 HydrophobicContact CG-CG 4.28Å; E155-K157 WeakPolarHBondContact OE1-CE 3.32Å; E155-K177 IonicContact OE1-NZ 3.85Å; E155-K177 PolarHBondContact OE1-NZ 3.06Å
156	V	61.5	Low	56.9	Low	12 Å²	12	46.6 Å²	46.6	7%	0.073	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.4	170.5	177.9	0	0	0	0	106.3	I153 E158 V160 E175	I153-V156 HydrophobicContact CB-CG2 4.39Å; I153-V156 HydrophobicContact CG2-CG2 3.34Å; V156-E158 WeakPolarHBondContact CG1-O 3.47Å; V156-V160 HydrophobicContact CG1-CG2 4.09Å; V156-E175 PolarHBondContact N-O 3.14Å
157	K	60.3	Low	56.1	Low	65 Å²	65	44.7 Å²	44.7	28%	0.283	24%	0.239	S	C	.	.			trans	-88	-28.2	-175.6	-73.1	-175.6	173.2	169.7	0	113.8	E135 V136 K137 E155	E135-K157 WeakPolarHBondContact OE1-CE 2.84Å; E135-K157 IonicContact OE1-NZ 2.81Å; E135-K157 PolarHBondContact OE1-NZ 3.38Å; V136-K157 PolarHBondContact O-N 2.84Å; K137-K157 HydrophobicContact CG-CD 4.35Å; E155-K157 HydrophobicContact CG-CG 4.28Å; E155-K157 WeakPolarHBondContact OE1-CE 3.32Å
158	E	60.9	Low	55.8	Low	73 Å²	73	53.3 Å²	53.3	34%	0.341	28%	0.276	S	S	.	.	S	Bend	trans	-125.1	156	-175.5	-72.3	-79.8	156.5	0	0	108.8	K137 P139 V156	K137-E158 VanDerWaalsContact O-CG 3.24Å; K137-E158 WeakPolarHBondContact O-CG 3.29Å; P139-E158 HydrophobicContact CB-CB 4.36Å; V156-E158 WeakPolarHBondContact CG1-O 3.47Å
159	P	54.8	Low	55.3	Low	27 Å²	27	46.8 Å²	46.8	18%	0.175	25%	0.25	C	S	.	.			trans	-60.2	157.5	-174.5	22.3	-32.1	0	0	0	114	P139 V140	P139-P159 VanDerWaalsContact CA-O 3.28Å; P139-P159 WeakPolarHBondContact CA-O 3.11Å; P139-P159 WeakPolarHBondContact CB-O 3.38Å; V140-P159 PolarHBondContact N-O 3.49Å
160	V	52.6	Low	55.3	Low	11 Å²	11	47.8 Å²	47.8	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.2	168.9	178.4	0	0	0	0	106	V140 L143 V156 E162 L163	V140-V160 HydrophobicContact CB-CG1 4.49Å; V140-V160 HydrophobicContact CB-CG2 4.47Å; V140-V160 VanDerWaalsContact O-CA 3.32Å; V140-V160 WeakPolarHBondContact O-CA 3.25Å; L143-V160 HydrophobicContact CB-CG1 3.61Å; L143-V160 HydrophobicContact CD2-CG1 4.3Å; V156-V160 HydrophobicContact CG1-CG2 4.09Å; V160-E162 WeakPolarHBondContact CG1-O 3.48Å; V160-L163 HydrophobicContact CB-CD1 4.31Å; V160-L163 HydrophobicContact CG1-CD1 4.28Å; V160-L163 HydrophobicContact CG1-CG 4.16Å
161	E	54.1	Low	55.1	Low	101 Å²	101	44.8 Å²	44.8	47%	0.472	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-55.8	-174.4	-61.3	-174.2	161.9	0	0	110.2	V140	V140-E161 PolarHBondContact O-N 3.42Å; V140-E161 VanDerWaalsContact O-N 3.1Å
162	E	53.2	Low	55	Low	67 Å²	67	47.2 Å²	47.2	31%	0.313	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.2	178.8	-67.8	-169	-173.1	0	0	112.6	E141 E142 L143 V160 D184	E141-E162 WeakPolarHBondContact O-CA 3.38Å; E141-E162 WeakPolarHBondContact O-CB 3.38Å; E141-E162 PolarHBondContact O-N 3.35Å; E142-E162 HydrophobicContact CB-CB 4.42Å; E142-E162 HydrophobicContact CG-CB 4.19Å; L143-E162 PolarHBondContact N-O 3.37Å; V160-E162 WeakPolarHBondContact CG1-O 3.48Å; E162-D184 HydrophobicContact CG-CB 4.14Å
163	L	50.4	Low	54.8	Low	31 Å²	31	45.4 Å²	45.4	16%	0.162	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	89.9	175.4	-117.2	152.8	0	0	0	109.6	L143 V160 P165 I173 L185	L143-L163 HydrophobicContact CB-CG 4.49Å; L143-L163 HydrophobicContact CD2-CD2 3.96Å; L143-L163 HydrophobicContact CD2-CG 4.17Å; V160-L163 HydrophobicContact CB-CD1 4.31Å; V160-L163 HydrophobicContact CG1-CD1 4.28Å; V160-L163 HydrophobicContact CG1-CG 4.16Å; L163-P165 WeakPolarHBondContact O-CD 3.35Å; L163-I173 HydrophobicContact CD1-CD1 4.32Å; L163-L185 HydrophobicContact CB-CD2 3.5Å; L163-L185 VanDerWaalsContact CB-CD2 3.5Å
164	S	56.8	Low	54.4	Low	18 Å²	18	47.4 Å²	47.4	13%	0.126	25%	0.252	C	S	.	.			trans	-115.7	52.3	-171.3	-76.2	0	0	0	0	114.2	L143 S144 A166 P187	L143-S164 PolarHBondContact O-N 3.01Å; S144-S164 VanDerWaalsContact OG-CB 3.25Å; S144-S164 WeakPolarHBondContact OG-CB 3.16Å; S144-S164 PolarHBondContact OG-O 3.13Å; S164-A166 PolarHBondContact O-N 3.48Å; S164-P187 VanDerWaalsContact OG-CD 3.31Å; S164-P187 WeakPolarHBondContact OG-CD 3.14Å; S164-P187 WeakPolarHBondContact OG-CG 3.42Å
165	P	52.6	Low	54.2	Low	8 Å²	8	48.4 Å²	48.4	5%	0.052	26%	0.255	C	S	.	.			trans	-69.7	109.3	-177.1	29.8	-34	0	0	0	111.4	P145 L163 T167 V171 T189	P145-P165 HydrophobicContact CG-CB 4.14Å; L163-P165 WeakPolarHBondContact O-CD 3.35Å; P165-T167 HydrophobicContact CB-CG2 3.88Å; P165-T167 PolarHBondContact O-N 2.72Å; P165-V171 HydrophobicContact CB-CG2 3.79Å; P165-V171 HydrophobicContact CG-CG2 3.92Å; P165-T189 HydrophobicContact CG-CG2 3.85Å
166	A	49.9	Very low	53.7	Low	80 Å²	80	47.6 Å²	47.6	66%	0.661	25%	0.253	S	S	*	.			trans	-73.5	64.9	169.1	0	0	0	0	0	111.4	S164	S164-A166 PolarHBondContact O-N 3.48Å
167	T	44.7	Very low	53.3	Low	13 Å²	13	50.9 Å²	50.9	8%	0.08	27%	0.266	C	S	.	.			trans	-122.4	150.6	-170.5	69.1	0	0	0	0	113.2	P145 P165 T169	P145-T167 WeakPolarHBondContact O-CG2 3.24Å; P165-T167 HydrophobicContact CB-CG2 3.88Å; P165-T167 PolarHBondContact O-N 2.72Å; T167-T169 PolarHBondContact OG1-O 3.1Å
168	K	48.9	Very low	52.8	Low	189 Å²	189	52.9 Å²	52.9	82%	0.822	28%	0.276	S	S	*	.	S	Bend	trans	-99.4	9.9	166.7	-65.1	-168.5	177.3	-166.7	0	112
169	T	44.9	Very low	52.1	Low	31 Å²	31	52.3 Å²	52.3	19%	0.19	28%	0.279	C	S	.	.	S	Bend	trans	-135.7	148.7	-172.9	46.3	0	0	0	0	110.6	T149 T167	T149-T169 PolarHBondContact N-OG1 3.31Å; T167-T169 PolarHBondContact OG1-O 3.1Å
170	P	52.3	Low	51.4	Low	53 Å²	53	54.7 Å²	54.7	34%	0.344	29%	0.293	S	S	.	.			trans	-58.7	140.1	-175.9	-23.4	33.4	0	0	0	113.4	P192	P170-P192 WeakPolarHBondContact CA-O 3.3Å; P170-P192 WeakPolarHBondContact CB-O 3.45Å
171	V	52.5	Low	50.9	Low	5 Å²	5	60.4 Å²	60.4	3%	0.03	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.9	162.6	-178.1	0	0	0	0	106.9	P165 I173 L194	P165-V171 HydrophobicContact CB-CG2 3.79Å; P165-V171 HydrophobicContact CG-CG2 3.92Å; V171-I173 HydrophobicContact CG1-CG1 4.21Å; V171-L194 PolarHBondContact O-N 3.37Å
172	L	56.6	Low	50.1	Low	52 Å²	52	61.4 Å²	61.4	27%	0.272	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.9	-178.8	-158.3	117.5	0	0	0	108.8	V151 L152 I153 N174 L194	V151-L172 PolarHBondContact O-N 3.3Å; L152-L172 HydrophobicContact CD1-CB 4.23Å; L152-L172 HydrophobicContact CD1-CD2 3.57Å; I153-L172 PolarHBondContact N-O 3.25Å; L172-N174 WeakPolarHBondContact CD2-OD1 3.21Å; L172-L194 HydrophobicContact CD1-CB 3.93Å; L172-L194 HydrophobicContact CD1-CD2 4.32Å
173	I	57.6	Low	49.3	Very low	14 Å²	14	66 Å²	66	7%	0.072	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.3	177.3	-52.5	175.8	0	0	0	106.7	L163 V171 V176 L194 N196	L163-I173 HydrophobicContact CD1-CD1 4.32Å; V171-I173 HydrophobicContact CG1-CG1 4.21Å; I173-V176 HydrophobicContact CB-CG2 4.43Å; I173-V176 HydrophobicContact CG2-CG2 3.5Å; I173-V176 VanDerWaalsContact CG2-CG2 3.5Å; I173-L194 PolarHBondContact N-O 3.44Å; I173-N196 PolarHBondContact O-N 2.9Å
174	N	55.5	Low	48.6	Very low	46 Å²	46	68.6 Å²	68.6	25%	0.246	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-46.8	-171.5	-93.6	-16.9	0	0	0	112.8	I153 N154 L172 N196	I153-N174 PolarHBondContact O-N 3.03Å; N154-N174 WeakPolarHBondContact O-CB 3.49Å; N154-N174 PolarHBondContact OD1-ND2 3.33Å; L172-N174 WeakPolarHBondContact CD2-OD1 3.21Å; N174-N196 WeakPolarHBondContact O-CB 3.49Å
175	E	55.3	Low	47.6	Very low	73 Å²	73	71.5 Å²	71.5	34%	0.341	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	126.7	178.2	-72.8	-170.5	-173.3	0	0	110	V156	V156-E175 PolarHBondContact N-O 3.14Å
176	V	52.8	Low	46.9	Very low	31 Å²	31	74.3 Å²	74.3	19%	0.188	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.6	167.6	-178.7	0	0	0	0	106.5	I173 E178	I173-V176 HydrophobicContact CB-CG2 4.43Å; I173-V176 HydrophobicContact CG2-CG2 3.5Å; I173-V176 VanDerWaalsContact CG2-CG2 3.5Å; V176-E178 WeakPolarHBondContact CG1-O 3.2Å
177	K	51.5	Low	46.3	Very low	80 Å²	80	72.9 Å²	72.9	35%	0.348	38%	0.381	S	S	.	.			trans	-90.8	-28.2	-175	-82.6	177.8	177.2	162.9	0	113.9	E155	E155-K177 IonicContact OE1-NZ 3.85Å; E155-K177 PolarHBondContact OE1-NZ 3.06Å
178	E	49.9	Very low	46.1	Very low	107 Å²	107	77.7 Å²	77.7	50%	0.5	41%	0.412	S	S	.	.	S	Bend	trans	-128.6	151.2	-178.8	-67.2	-150.4	172	0	0	110.7	V176	V176-E178 WeakPolarHBondContact CG1-O 3.2Å
179	P	46.1	Very low	45.7	Very low	61 Å²	61	69.4 Å²	69.4	40%	0.396	38%	0.377	S	S	.	.			trans	-57.3	146	179.3	23.3	-32.7	0	0	0	111.5	E181	P179-E181 PolarHBondContact O-N 2.97Å
180	V	41	Very low	45.8	Very low	78 Å²	78	71.9 Å²	71.9	47%	0.473	40%	0.401	S	S	.	.			trans	-68.9	101.9	167.9	-176.4	0	0	0	0	105.7
181	E	42.4	Very low	45.5	Very low	131 Å²	131	69.7 Å²	69.7	61%	0.612	39%	0.387	S	S	*	.			trans	-73.7	128.6	171	-66.8	-152.6	153.5	0	0	108.5	P179	P179-E181 PolarHBondContact O-N 2.97Å
182	D	38	Very low	45.4	Very low	121 Å²	121	71.7 Å²	71.7	65%	0.647	40%	0.4	S	S	*	.	S	Bend	trans	61.1	135.3	149.2	-72.8	-31	0	0	0	120.8
183	E	36.5	Very low	45.1	Very low	165 Å²	165	71 Å²	71	77%	0.771	40%	0.398	S	S	*	.	S	Bend	trans	47.3	118.9	156.6	-53.9	-154.1	170.3	0	0	118.9
184	D	34.8	Very low	44.9	Very low	84 Å²	84	72.8 Å²	72.8	45%	0.449	41%	0.408	S	S	.	.			trans	85.8	48.7	163.7	-75.8	-40	0	0	0	119.8	E162 S186	E162-D184 HydrophobicContact CG-CB 4.14Å; D184-S186 WeakPolarHBondContact CB-OG 3.44Å; D184-S186 VanDerWaalsContact CG-OG 3.29Å; D184-S186 PolarHBondContact O-N 3.39Å; D184-S186 WeakPolarHBondContact OD1-CB 3.36Å; D184-S186 PolarHBondContact OD1-OG 3.24Å
185	L	35.3	Very low	44.8	Very low	80 Å²	80	72.4 Å²	72.4	42%	0.419	41%	0.405	S	S	.	.			trans	-67	51.2	146.8	-72.8	176.4	0	0	0	111.8	L163 P209	L163-L185 HydrophobicContact CB-CD2 3.5Å; L163-L185 VanDerWaalsContact CB-CD2 3.5Å; L185-P209 HydrophobicContact CB-CG 3.35Å; L185-P209 WeakPolarHBondContact O-CB 3.43Å; L185-P209 WeakPolarHBondContact O-CG 3.03Å
186	S	38.2	Very low	44.7	Very low	67 Å²	67	71.9 Å²	71.9	47%	0.469	40%	0.404	S	S	.	.			trans	-112	64.9	-167.4	59.5	0	0	0	0	113.3	D184	D184-S186 WeakPolarHBondContact CB-OG 3.44Å; D184-S186 VanDerWaalsContact CG-OG 3.29Å; D184-S186 PolarHBondContact O-N 3.39Å; D184-S186 WeakPolarHBondContact OD1-CB 3.36Å; D184-S186 PolarHBondContact OD1-OG 3.24Å
187	P	38	Very low	44.7	Very low	50 Å²	50	72.6 Å²	72.6	33%	0.325	41%	0.406	S	S	.	.	S	Bend		-143.7	153.3	128.9	22.7	-1.2	0	0	0	114.4	S164 T189	S164-P187 VanDerWaalsContact OG-CD 3.31Å; S164-P187 WeakPolarHBondContact OG-CD 3.14Å; S164-P187 WeakPolarHBondContact OG-CG 3.42Å; P187-T189 PolarHBondContact O-N 2.9Å
188	P	40.5	Very low	44.7	Very low	113 Å²	113	70.2 Å²	70.2	73%	0.734	40%	0.398	S	S	*	.			trans	-64.5	99.2	-177.2	27.5	-34.7	0	0	0	110.8	A190	P188-A190 PolarHBondContact O-N 3.29Å
189	T	39.9	Very low	44.8	Very low	16 Å²	16	69.1 Å²	69.1	10%	0.098	39%	0.391	C	S	.	.			trans	-71.7	124.7	168.3	52.5	0	0	0	0	108.5	P165 P187 A191	P165-T189 HydrophobicContact CG-CG2 3.85Å; P187-T189 PolarHBondContact O-N 2.9Å; T189-A191 PolarHBondContact O-N 3.18Å
190	A	46.5	Very low	45	Very low	83 Å²	83	71.9 Å²	71.9	69%	0.686	40%	0.399	S	S	*	.	S	Bend	trans	-80.6	-2.9	171.7	0	0	0	0	0	112.1	P188	P188-A190 PolarHBondContact O-N 3.29Å
191	A	46.3	Very low	45.3	Very low	7 Å²	7	70.7 Å²	70.7	6%	0.058	39%	0.393	C	S	.	.	S	Bend	trans	-122.1	146.1	-174.2	0	0	0	0	0	111.3	T189	T189-A191 PolarHBondContact O-N 3.18Å
192	P	50.8	Low	45.3	Very low	47 Å²	47	67.3 Å²	67.3	31%	0.305	38%	0.381	S	S	.	.			trans	-61.3	140.4	177.5	-21	31.9	0	0	0	112.7	P170 A213 P214	P170-P192 WeakPolarHBondContact CA-O 3.3Å; P170-P192 WeakPolarHBondContact CB-O 3.45Å; P192-A213 HydrophobicContact CG-CB 4.48Å; P192-P214 WeakPolarHBondContact CB-O 3.33Å
193	V	50.7	Low	45.5	Very low	36 Å²	36	70.2 Å²	70.2	22%	0.218	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.2	163.4	-176.5	0	0	0	0	107.7	I195 L216	V193-I195 HydrophobicContact CG1-CG1 4.14Å; V193-L216 PolarHBondContact O-N 2.99Å
194	L	52.4	Low	45.5	Very low	53 Å²	53	66.4 Å²	66.4	28%	0.277	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.7	-178.6	-129.9	136.3	0	0	0	108.8	V171 L172 I173 L216	V171-L194 PolarHBondContact O-N 3.37Å; L172-L194 HydrophobicContact CD1-CB 3.93Å; L172-L194 HydrophobicContact CD1-CD2 4.32Å; I173-L194 PolarHBondContact N-O 3.44Å; L194-L216 HydrophobicContact CD1-CB 4.49Å; L194-L216 HydrophobicContact CG-CB 4.12Å
195	I	53.6	Low	45.5	Very low	37 Å²	37	70.5 Å²	70.5	19%	0.19	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.9	179.9	-55.3	175.3	0	0	0	107.5	V193 V198 L216 N218	V193-I195 HydrophobicContact CG1-CG1 4.14Å; I195-V198 HydrophobicContact CG2-CG2 3.7Å; I195-L216 PolarHBondContact N-O 2.88Å; I195-N218 PolarHBondContact O-N 3.45Å; I195-N218 VanDerWaalsContact O-N 3.15Å
196	N	52.8	Low	45.5	Very low	62 Å²	62	72.7 Å²	72.7	33%	0.332	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-42.5	-169.2	-139.2	18.2	0	0	0	112.9	I173 N174 N218 E219	I173-N196 PolarHBondContact O-N 2.9Å; N174-N196 WeakPolarHBondContact O-CB 3.49Å; N196-N218 WeakPolarHBondContact O-CB 3.22Å; N196-N218 PolarHBondContact OD1-ND2 3.11Å; N196-E219 PolarHBondContact O-N 3.07Å
197	E	53.1	Low	45.2	Very low	46 Å²	46	74.4 Å²	74.4	22%	0.215	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.7	173.7	-78.8	-162	157.2	0	0	110.8	K199 K221	E197-K199 WeakPolarHBondContact OE2-CE 3.42Å; E197-K199 IonicContact OE2-NZ 3.32Å; E197-K221 VanDerWaalsContact CD-NZ 3.27Å; E197-K221 IonicContact OE1-NZ 2.66Å; E197-K221 PolarHBondContact OE1-NZ 3.12Å; E197-K221 IonicContact OE2-NZ 2.65Å; E197-K221 PolarHBondContact OE2-NZ 3.26Å
198	V	53	Low	45.2	Very low	30 Å²	30	75.8 Å²	75.8	18%	0.182	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.1	166.1	-176.3	0	0	0	0	108	I195 E200 I217 E219	I195-V198 HydrophobicContact CG2-CG2 3.7Å; V198-E200 WeakPolarHBondContact CG1-O 3.27Å; V198-I217 HydrophobicContact CG2-CG2 4.22Å; V198-E219 PolarHBondContact N-O 3.27Å
199	K	49.9	Very low	45.1	Very low	84 Å²	84	72.3 Å²	72.3	37%	0.365	39%	0.393	S	S	.	.			trans	-96.2	-18.4	-172.4	-79.2	-179.8	-179.5	157.6	0	115.4	E197	E197-K199 WeakPolarHBondContact OE2-CE 3.42Å; E197-K199 IonicContact OE2-NZ 3.32Å
200	E	50.8	Low	45.1	Very low	120 Å²	120	76.4 Å²	76.4	56%	0.561	42%	0.42	S	S	*	.	S	Bend	trans	-130.1	155.1	-177.8	-73.7	-151.6	173.2	0	0	112.2	V198	V198-E200 WeakPolarHBondContact CG1-O 3.27Å
201	P	47.1	Very low	44.8	Very low	53 Å²	53	74 Å²	74	34%	0.344	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-62.5	135.2	-176.2	23.6	-33.6	0	0	0	112.2	K203	P201-K203 PolarHBondContact O-N 3.09Å
202	V	43.3	Very low	44.8	Very low	59 Å²	59	77.4 Å²	77.4	36%	0.358	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-75.1	118.7	168.1	-173	0	0	0	0	106.8	L207	V202-L207 HydrophobicContact CG1-CD1 4.02Å; V202-L207 HydrophobicContact CG1-CD2 4.02Å; V202-L207 HydrophobicContact CG1-CG 4.03Å
203	K	42.1	Very low	44.5	Very low	183 Å²	183	75.6 Å²	75.6	80%	0.796	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-72.7	148.3	177.7	-73.1	-179.2	-178.8	166.9	0	110.8	P201 E205	P201-K203 PolarHBondContact O-N 3.09Å; K203-E205 PolarHBondContact O-N 3.47Å
204	D	37.5	Very low	44.3	Very low	85 Å²	85	76.2 Å²	76.2	46%	0.455	42%	0.419	S	S	.	.	S	Bend	trans	-58	-14.6	-172.2	-73.5	-27.3	0	0	0	116.3	E226	D204-E226 VanDerWaalsContact OD1-CB 3.25Å; D204-E226 WeakPolarHBondContact OD1-CB 3.34Å; D204-E226 PolarHBondContact OD1-N 3.19Å; D204-E226 VanDerWaalsContact OD1-N 3.12Å
205	E	34	Very low	44	Very low	170 Å²	170	75.3 Å²	75.3	79%	0.794	42%	0.415	S	S	*	.	S	Bend	trans	-103	115.6	-174.6	-66	-176.3	160.2	0	0	109.1	K203	K203-E205 PolarHBondContact O-N 3.47Å
206	D	34	Very low	43.9	Very low	126 Å²	126	75.9 Å²	75.9	67%	0.674	42%	0.419	S	S	*	.			trans	89	36.4	159.6	-59.2	-42	0	0	0	121.1	S208	D206-S208 PolarHBondContact O-N 3.34Å
207	L	33.9	Very low	43.8	Very low	102 Å²	102	74.2 Å²	74.2	53%	0.534	41%	0.41	S	S	.	.			trans	-71.5	65.8	150.5	-68.5	179.6	0	0	0	111.2	V202	V202-L207 HydrophobicContact CG1-CD1 4.02Å; V202-L207 HydrophobicContact CG1-CD2 4.02Å; V202-L207 HydrophobicContact CG1-CG 4.03Å
208	S	36.3	Very low	43.6	Very low	80 Å²	80	74.9 Å²	74.9	56%	0.559	42%	0.415	S	S	*	.			trans	-124.3	67.6	-170.1	53.4	0	0	0	0	113.1	D206	D206-S208 PolarHBondContact O-N 3.34Å
209	P	39.8	Very low	43.5	Very low	40 Å²	40	75.4 Å²	75.4	26%	0.26	42%	0.415	S	S	.	.			trans	-140.4	149.1	135.6	22	-1.7	0	0	0	114.9	L185 T211	L185-P209 HydrophobicContact CB-CG 3.35Å; L185-P209 WeakPolarHBondContact O-CB 3.43Å; L185-P209 WeakPolarHBondContact O-CG 3.03Å; P209-T211 PolarHBondContact O-N 2.86Å
210	P	39.3	Very low	43.7	Very low	101 Å²	101	72 Å²	72	66%	0.656	40%	0.401	S	S	*	.			trans	-72.5	95.9	-177.3	30.1	-34.3	0	0	0	110.8	A212	P210-A212 PolarHBondContact O-N 3.45Å
211	T	39.6	Very low	43.6	Very low	32 Å²	32	70.4 Å²	70.4	20%	0.196	39%	0.392	C	S	.	.			trans	-68.4	134.3	162.4	63.2	0	0	0	0	108.7	P209 A213 T233	P209-T211 PolarHBondContact O-N 2.86Å; T211-A213 WeakPolarHBondContact CB-O 3.27Å; T211-A213 PolarHBondContact OG1-O 3.12Å; T211-T233 PolarHBondContact O-OG1 2.98Å
212	A	46.4	Very low	43.8	Very low	79 Å²	79	73 Å²	73	65%	0.653	40%	0.4	S	S	*	.	S	Bend	trans	-79	-8.4	168.9	0	0	0	0	0	111.8	P210	P210-A212 PolarHBondContact O-N 3.45Å
213	A	45.1	Very low	43.9	Very low	10 Å²	10	73.8 Å²	73.8	8%	0.083	41%	0.406	C	S	.	.	S	Bend	trans	-122.2	148.1	-178	0	0	0	0	0	111	P192 T211	P192-A213 HydrophobicContact CG-CB 4.48Å; T211-A213 WeakPolarHBondContact CB-O 3.27Å; T211-A213 PolarHBondContact OG1-O 3.12Å
214	P	46.3	Very low	44.1	Very low	48 Å²	48	66.1 Å²	66.1	31%	0.312	38%	0.375	S	S	.	.			trans	-66.4	141.4	179.4	25.8	-32.8	0	0	0	111.8	P192 P234	P192-P214 WeakPolarHBondContact CB-O 3.33Å; P214-P234 VanDerWaalsContact CB-O 3.3Å; P214-P234 WeakPolarHBondContact CB-O 3.44Å
215	V	46.7	Very low	44.3	Very low	34 Å²	34	69.7 Å²	69.7	21%	0.206	39%	0.389	C	S	.	.			trans	-86.7	129.3	165.7	-177.7	0	0	0	0	107.8	I217 L236	V215-I217 HydrophobicContact CG1-CG1 4.11Å; V215-L236 PolarHBondContact O-N 3.22Å; V215-L236 VanDerWaalsContact O-N 3.08Å
216	L	49.9	Very low	44.5	Very low	50 Å²	50	66.6 Å²	66.6	26%	0.262	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.6	178.4	-120.5	132	0	0	0	109	V193 L194 I195 L236	V193-L216 PolarHBondContact O-N 2.99Å; L194-L216 HydrophobicContact CD1-CB 4.49Å; L194-L216 HydrophobicContact CG-CB 4.12Å; I195-L216 PolarHBondContact N-O 2.88Å; L216-L236 WeakPolarHBondContact CA-O 3.31Å; L216-L236 HydrophobicContact CG-CB 4.1Å
217	I	50.8	Low	44.7	Very low	27 Å²	27	63.9 Å²	63.9	14%	0.138	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.6	177.9	-54.3	175.6	0	0	0	107.6	V198 V215 V220 V235 L236 I237 N238	V198-I217 HydrophobicContact CG2-CG2 4.22Å; V215-I217 HydrophobicContact CG1-CG1 4.11Å; I217-V220 HydrophobicContact CG2-CG2 3.62Å; I217-V235 HydrophobicContact CD1-CG1 4.37Å; I217-L236 PolarHBondContact N-O 3.44Å; I217-I237 HydrophobicContact CB-CG1 4.42Å; I217-I237 WeakPolarHBondContact O-CA 3.5Å; I217-N238 PolarHBondContact O-N 3.42Å
218	N	50	Low	44.9	Very low	60 Å²	60	62.9 Å²	62.9	32%	0.321	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-45.7	-172.3	-137.9	12.4	0	0	0	112.2	I195 N196 N238 E239	I195-N218 PolarHBondContact O-N 3.45Å; I195-N218 VanDerWaalsContact O-N 3.15Å; N196-N218 WeakPolarHBondContact O-CB 3.22Å; N196-N218 PolarHBondContact OD1-ND2 3.11Å; N218-N238 WeakPolarHBondContact O-CB 3.06Å; N218-N238 PolarHBondContact OD1-ND2 3.22Å; N218-E239 PolarHBondContact O-N 3.39Å
219	E	50.8	Low	45.1	Very low	40 Å²	40	61.2 Å²	61.2	19%	0.187	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	129.7	178.8	-165.8	178.6	176.2	0	0	111.3	N196 V198 K241	N196-E219 PolarHBondContact O-N 3.07Å; V198-E219 PolarHBondContact N-O 3.27Å; E219-K241 IonicContact OE1-NZ 3.03Å; E219-K241 PolarHBondContact OE1-NZ 3.3Å
220	V	53.2	Low	44.9	Very low	12 Å²	12	63.9 Å²	63.9	7%	0.073	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.5	170.5	-174.6	0	0	0	0	108.5	I217 E222 V224 I237 E239	I217-V220 HydrophobicContact CG2-CG2 3.62Å; V220-E222 WeakPolarHBondContact CG1-O 3.45Å; V220-V224 HydrophobicContact CG1-CG2 3.96Å; V220-I237 HydrophobicContact CG2-CD1 4.49Å; V220-I237 HydrophobicContact CG2-CG2 3.87Å; V220-E239 PolarHBondContact N-O 3.23Å
221	K	49.2	Very low	44.9	Very low	87 Å²	87	60.9 Å²	60.9	38%	0.378	35%	0.354	S	S	.	.			trans	-90.4	-19.6	-172.5	-75.7	179.6	-178.9	155.4	0	115	E197	E197-K221 VanDerWaalsContact CD-NZ 3.27Å; E197-K221 IonicContact OE1-NZ 2.66Å; E197-K221 PolarHBondContact OE1-NZ 3.12Å; E197-K221 IonicContact OE2-NZ 2.65Å; E197-K221 PolarHBondContact OE2-NZ 3.26Å
222	E	51.3	Low	45	Very low	107 Å²	107	69.2 Å²	69.2	50%	0.5	39%	0.387	S	S	.	.	S	Bend	trans	-127.1	155.5	-178.8	-70.5	-145.9	164.6	0	0	111.7	V220	V220-E222 WeakPolarHBondContact CG1-O 3.45Å
223	P	45.7	Very low	44.5	Very low	77 Å²	77	67.3 Å²	67.3	50%	0.5	37%	0.367	S	S	.	.			trans	-58.1	138.8	-179	22.5	-33.3	0	0	0	111.9
224	V	45.3	Very low	44.3	Very low	21 Å²	21	71 Å²	71	13%	0.127	39%	0.39	C	S	.	.			trans	-96.7	116	171.7	-171.9	0	0	0	0	106.5	V220 L227	V220-V224 HydrophobicContact CG1-CG2 3.96Å; V224-L227 HydrophobicContact CB-CG 4.4Å; V224-L227 HydrophobicContact CG1-CD2 3.81Å; V224-L227 HydrophobicContact CG1-CG 3.8Å
225	E	43.5	Very low	44.1	Very low	161 Å²	161	70.9 Å²	70.9	75%	0.752	39%	0.389	S	S	*	.	S	Bend	trans	-70.2	-30.2	-171.7	-78.6	-165.4	144.1	0	0	113
226	E	37.8	Very low	43.9	Very low	105 Å²	105	73.4 Å²	73.4	49%	0.491	40%	0.4	S	S	.	.			trans	-153.8	118.7	169.2	-123	177.2	-164.5	0	0	111.3	D204 S228	D204-E226 VanDerWaalsContact OD1-CB 3.25Å; D204-E226 WeakPolarHBondContact OD1-CB 3.34Å; D204-E226 PolarHBondContact OD1-N 3.19Å; D204-E226 VanDerWaalsContact OD1-N 3.12Å; E226-S228 PolarHBondContact O-N 2.8Å
227	L	37.8	Very low	43.8	Very low	69 Å²	69	72.9 Å²	72.9	36%	0.361	40%	0.398	S	S	.	.			trans	-91.8	81.3	163.3	-72	170.2	0	0	0	107.7	V224 P229 I237	V224-L227 HydrophobicContact CB-CG 4.4Å; V224-L227 HydrophobicContact CG1-CD2 3.81Å; V224-L227 HydrophobicContact CG1-CG 3.8Å; L227-P229 WeakPolarHBondContact O-CD 3.12Å; L227-I237 HydrophobicContact CD1-CD1 3.66Å
228	S	37.4	Very low	43.5	Very low	80 Å²	80	76.3 Å²	76.3	56%	0.559	42%	0.416	S	S	*	.			trans	-101.1	59.3	166.2	-73.2	0	0	0	0	110.8	E226 A230	E226-S228 PolarHBondContact O-N 2.8Å; S228-A230 PolarHBondContact O-N 3.01Å
229	P	41.7	Very low	43.1	Very low	45 Å²	45	79 Å²	79	29%	0.292	43%	0.427	S	S	.	.			trans	-68.3	118.9	-179.4	31.9	-34.8	0	0	0	108.1	L227 T231 V235	L227-P229 WeakPolarHBondContact O-CD 3.12Å; P229-T231 HydrophobicContact CB-CG2 3.83Å; P229-T231 WeakPolarHBondContact CB-OG1 3.31Å; P229-T231 PolarHBondContact O-N 3.46Å; P229-V235 HydrophobicContact CB-CG2 4.21Å; P229-V235 HydrophobicContact CG-CG2 4.3Å
230	A	35.6	Very low	42.9	Very low	96 Å²	96	80.2 Å²	80.2	79%	0.793	44%	0.437	S	S	*	.			trans	-71	36.7	167.8	0	0	0	0	0	111.6	S228	S228-A230 PolarHBondContact O-N 3.01Å
231	T	37.8	Very low	42.5	Very low	39 Å²	39	86 Å²	86	24%	0.239	46%	0.461	C	S	.	.			trans	-90.8	135.6	-178.6	55.4	0	0	0	0	109.9	P229 T233	P229-T231 HydrophobicContact CB-CG2 3.83Å; P229-T231 WeakPolarHBondContact CB-OG1 3.31Å; P229-T231 PolarHBondContact O-N 3.46Å; T231-T233 WeakPolarHBondContact CB-O 3.43Å; T231-T233 PolarHBondContact O-N 3.1Å; T231-T233 PolarHBondContact OG1-O 3.27Å
232	K	42.3	Very low	42.2	Very low	206 Å²	206	88.5 Å²	88.5	90%	0.896	47%	0.474	S	S	*	.	S	Bend	trans	-71.2	-3.9	169	-72.5	-178.6	179.7	172.5	0	113.1
233	T	36.6	Very low	41.5	Very low	40 Å²	40	89.6 Å²	89.6	25%	0.245	49%	0.49	C	S	.	.	S	Bend	trans	-137.2	143.9	-179.4	40.6	0	0	0	0	111.5	T211 T231	T211-T233 PolarHBondContact O-OG1 2.98Å; T231-T233 WeakPolarHBondContact CB-O 3.43Å; T231-T233 PolarHBondContact O-N 3.1Å; T231-T233 PolarHBondContact OG1-O 3.27Å
234	P	40.1	Very low	41.1	Very low	86 Å²	86	89.4 Å²	89.4	56%	0.558	49%	0.488	S	S	*	.			trans	-69.1	144.9	-171.4	26.1	-33.6	0	0	0	114.1	P214	P214-P234 VanDerWaalsContact CB-O 3.3Å; P214-P234 WeakPolarHBondContact CB-O 3.44Å
235	V	43	Very low	40.5	Very low	46 Å²	46	97 Å²	97	28%	0.279	52%	0.522	S	S	.	.			trans	-80.9	126.9	161.3	-179.3	0	0	0	0	107.8	I217 P229 I237	I217-V235 HydrophobicContact CD1-CG1 4.37Å; P229-V235 HydrophobicContact CB-CG2 4.21Å; P229-V235 HydrophobicContact CG-CG2 4.3Å; V235-I237 HydrophobicContact CG1-CG1 4.27Å
236	L	42.3	Very low	40	Very low	87 Å²	87	92 Å²	92	46%	0.455	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120	174.9	-109.8	96.6	0	0	0	109.8	V215 L216 I217	V215-L236 PolarHBondContact O-N 3.22Å; V215-L236 VanDerWaalsContact O-N 3.08Å; L216-L236 WeakPolarHBondContact CA-O 3.31Å; L216-L236 HydrophobicContact CG-CB 4.1Å; I217-L236 PolarHBondContact N-O 3.44Å
237	I	47.1	Very low	39.5	Very low	40 Å²	40	92.8 Å²	92.8	21%	0.205	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.6	172.2	-52	173.5	0	0	0	107.7	I217 V220 L227 V235 V240	I217-I237 HydrophobicContact CB-CG1 4.42Å; I217-I237 WeakPolarHBondContact O-CA 3.5Å; V220-I237 HydrophobicContact CG2-CD1 4.49Å; V220-I237 HydrophobicContact CG2-CG2 3.87Å; L227-I237 HydrophobicContact CD1-CD1 3.66Å; V235-I237 HydrophobicContact CG1-CG1 4.27Å; I237-V240 HydrophobicContact CB-CG2 4.01Å; I237-V240 HydrophobicContact CD1-CG2 4.36Å; I237-V240 HydrophobicContact CG2-CG2 3.58Å
238	N	44	Very low	39.1	Very low	98 Å²	98	95.4 Å²	95.4	52%	0.524	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-42.5	-176.5	-97.1	-8.7	0	0	0	112.7	I217 N218	I217-N238 PolarHBondContact O-N 3.42Å; N218-N238 WeakPolarHBondContact O-CB 3.06Å; N218-N238 PolarHBondContact OD1-ND2 3.22Å
239	E	42.7	Very low	38.8	Very low	116 Å²	116	96.2 Å²	96.2	54%	0.542	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	121.4	174.8	-78.1	-169.5	162.4	0	0	111.1	N218 V220	N218-E239 PolarHBondContact O-N 3.39Å; V220-E239 PolarHBondContact N-O 3.23Å
240	V	46.7	Very low	38.1	Very low	66 Å²	66	100.5 Å²	100.5	40%	0.4	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.6	124.6	166.4	-170.2	0	0	0	0	106.7	I237 E242 V244	I237-V240 HydrophobicContact CB-CG2 4.01Å; I237-V240 HydrophobicContact CD1-CG2 4.36Å; I237-V240 HydrophobicContact CG2-CG2 3.58Å; V240-E242 WeakPolarHBondContact CG1-O 2.95Å; V240-V244 HydrophobicContact CG1-CG2 4.45Å
241	K	44.1	Very low	37.9	Very low	135 Å²	135	102 Å²	102	59%	0.587	56%	0.564	S	S	*	*	S	Bend	trans	-81	-11.2	-176.2	-85.4	176.5	176.9	146.8	0	114.8	E219	E219-K241 IonicContact OE1-NZ 3.03Å; E219-K241 PolarHBondContact OE1-NZ 3.3Å
242	E	42.9	Very low	37.7	Very low	139 Å²	139	105 Å²	105	65%	0.65	58%	0.578	S	S	*	*	S	Bend	trans	-143.6	154.7	177.5	-73.5	-159.7	171.5	0	0	113.4	V240	V240-E242 WeakPolarHBondContact CG1-O 2.95Å
243	P	37.2	Very low	37.5	Very low	129 Å²	129	99.9 Å²	99.9	84%	0.838	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-72.1	139.8	-170.9	27.1	-33.5	0	0	0	113.9
244	V	36.6	Very low	37.7	Very low	74 Å²	74	102.9 Å²	102.9	45%	0.448	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-91.1	129.8	-179.9	-175.8	0	0	0	0	110.4	V240	V240-V244 HydrophobicContact CG1-CG2 4.45Å
245	E	33.3	Very low	38	Very low	179 Å²	179	100.5 Å²	100.5	84%	0.836	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-93.3	144.8	168.4	-70.7	-171.1	158.6	0	0	110
246	G	33.5	Very low	38.5	Very low	57 Å²	57	99.7 Å²	99.7	59%	0.588	55%	0.551	S	S	*	*			trans	108.5	25.6	163.4	0	0	0	0	0	119.7	V248	G246-V248 PolarHBondContact O-N 3.48Å
247	V	27.5	Very low	38.7	Very low	122 Å²	122	100.3 Å²	100.3	74%	0.739	55%	0.554	S	S	*	*			trans	-64.4	108.5	174.9	-177.6	0	0	0	0	111.3	D249	V247-D249 PolarHBondContact O-N 2.68Å
248	V	29.5	Very low	39.1	Very low	124 Å²	124	101.5 Å²	101.5	75%	0.752	56%	0.561	S	S	*	*			trans	-72.1	109.1	170.3	178.9	0	0	0	0	109.4	G246 L250	G246-V248 PolarHBondContact O-N 3.48Å; V248-L250 PolarHBondContact O-N 2.79Å
249	D	29.8	Very low	39.9	Very low	97 Å²	97	97 Å²	97	52%	0.519	54%	0.537	S	S	.	.			trans	-69.2	112.5	-178.5	-87.1	-57	0	0	0	112.9	V247 Q253	V247-D249 PolarHBondContact O-N 2.68Å; D249-Q253 HydrophobicContact CB-CG 4.17Å; D249-Q253 VanDerWaalsContact OD1-CD 3.3Å; D249-Q253 WeakPolarHBondContact OD1-CG 3.49Å; D249-Q253 PolarHBondContact OD1-NE2 3.09Å; D249-Q253 PolarHBondContact OD2-NE2 3.44Å
250	L	27.1	Very low	40.5	Very low	135 Å²	135	93.9 Å²	93.9	71%	0.707	52%	0.523	S	S	*	.			trans	-58.4	140.8	162.1	-88.2	128	0	0	0	110	V248 N252 Q253	V248-L250 PolarHBondContact O-N 2.79Å; L250-N252 PolarHBondContact O-N 2.71Å; L250-Q253 PolarHBondContact O-N 2.95Å
251	P	31.7	Very low	40.9	Very low	128 Å²	128	94.9 Å²	94.9	83%	0.831	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	18.5	-174	28.8	-34.7	0	0	0	114.7	Q253	P251-Q253 VanDerWaalsContact C-N 3.25Å
252	N	34.7	Very low	41.5	Very low	101 Å²	101	89.5 Å²	89.5	54%	0.54	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	13	167.7	-78.7	-31.6	0	0	0	112.3	L250 F254	L250-N252 PolarHBondContact O-N 2.71Å; N252-F254 PolarHBondContact O-N 2.84Å
253	Q	36.9	Very low	42.1	Very low	99 Å²	99	83.3 Å²	83.3	46%	0.463	49%	0.49	S	S	.	.			trans	-52.2	125.8	175.8	-94.4	-167.4	-30.2	0	0	111.1	D249 L250 P251 A255	D249-Q253 HydrophobicContact CB-CG 4.17Å; D249-Q253 VanDerWaalsContact OD1-CD 3.3Å; D249-Q253 WeakPolarHBondContact OD1-CG 3.49Å; D249-Q253 PolarHBondContact OD1-NE2 3.09Å; D249-Q253 PolarHBondContact OD2-NE2 3.44Å; L250-Q253 PolarHBondContact O-N 2.95Å; P251-Q253 VanDerWaalsContact C-N 3.25Å; Q253-A255 PolarHBondContact O-N 2.98Å
254	F	42	Very low	43.2	Very low	103 Å²	103	79.3 Å²	79.3	45%	0.452	46%	0.464	S	S	.	.			trans	-49.2	126.8	177.6	-65.1	-99.8	0	0	0	109.7	N252 C256 L257	N252-F254 PolarHBondContact O-N 2.84Å; F254-C256 PolarHBondContact O-N 3.33Å; F254-L257 HydrophobicContact CB-CB 4.44Å; F254-L257 HydrophobicContact CB-CD1 4.2Å; F254-L257 HydrophobicContact CB-CG 4.21Å; F254-L257 HydrophobicContact CD2-CD1 3.76Å; F254-L257 HydrophobicContact CD2-CG 4.45Å; F254-L257 HydrophobicContact CG-CD1 4.38Å; F254-L257 PolarHBondContact O-N 3.26Å; F254-L257 VanDerWaalsContact O-N 3.1Å
255	A	46.5	Very low	44	Very low	36 Å²	36	78.1 Å²	78.1	30%	0.298	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-10.2	171.3	0	0	0	0	0	113.6	Q253 V839	Q253-A255 PolarHBondContact O-N 2.98Å; A255-V839 HydrophobicContact CB-CG2 4.21Å
256	C	51.6	Low	44.5	Very low	28 Å²	28	77.6 Å²	77.6	19%	0.189	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-21.9	178.2	-111.2	0	0	0	0	117.6	F254 D258 Y259 L260 C816	F254-C256 PolarHBondContact O-N 3.33Å; C256-D258 PolarHBondContact O-N 2.97Å; C256-D258 VanDerWaalsContact O-N 3.15Å; C256-Y259 PolarHBondContact O-N 3.24Å; C256-L260 PolarHBondContact O-N 2.69Å; C256-L260 VanDerWaalsContact O-N 3.09Å; C256-C816 WeakPolarHBondContact CA-SG 3.42Å; C256-C816 HydrophobicContact CB-CB 3.53Å; C256-C816 WeakPolarHBondContact CB-SG 3.32Å; C256-C816 WeakPolarHBondContact SG-CB 3.18Å; C256-C816 CovalentContact SG-SG 2Å; C256-C816 PolarHBondContact SG-SG 3.35Å
257	L	48.2	Very low	44.9	Very low	101 Å²	101	82 Å²	82	53%	0.529	47%	0.472	S	S	.	.	H	α-helix	trans	-54.4	-39.9	177.5	-92.6	163.2	0	0	0	109.2	F254 A261	F254-L257 HydrophobicContact CB-CB 4.44Å; F254-L257 HydrophobicContact CB-CD1 4.2Å; F254-L257 HydrophobicContact CB-CG 4.21Å; F254-L257 HydrophobicContact CD2-CD1 3.76Å; F254-L257 HydrophobicContact CD2-CG 4.45Å; F254-L257 HydrophobicContact CG-CD1 4.38Å; F254-L257 PolarHBondContact O-N 3.26Å; F254-L257 VanDerWaalsContact O-N 3.1Å; L257-A261 VanDerWaalsContact O-CB 3.27Å; L257-A261 WeakPolarHBondContact O-CB 3.33Å; L257-A261 PolarHBondContact O-N 3.31Å
258	D	54.6	Low	45.6	Very low	65 Å²	65	78.8 Å²	78.8	35%	0.348	45%	0.451	S	S	.	.	H	α-helix	trans	-75.3	-33.7	177.2	-134.9	13.5	0	0	0	112.5	C256 S262 N840 K860	C256-D258 PolarHBondContact O-N 2.97Å; C256-D258 VanDerWaalsContact O-N 3.15Å; D258-S262 WeakPolarHBondContact O-CB 3.48Å; D258-S262 PolarHBondContact O-N 3.09Å; D258-S262 PolarHBondContact O-OG 3.28Å; D258-N840 WeakPolarHBondContact CB-ND2 3.47Å; D258-N840 PolarHBondContact O-ND2 3.13Å; D258-K860 IonicContact OD1-NZ 4Å; D258-K860 PolarHBondContact OD1-NZ 2.87Å; D258-K860 IonicContact OD2-NZ 2.76Å; D258-K860 PolarHBondContact OD2-NZ 2.71Å
259	Y	60.5	Low	45.9	Very low	4 Å²	4	78.1 Å²	78.1	2%	0.016	45%	0.447	C	S	.	.	H	α-helix	trans	-64.8	-49	178.4	173.8	-105.2	0	0	0	111.8	C256 S263 L268 A812 V839 N840 L843 F849	C256-Y259 PolarHBondContact O-N 3.24Å; Y259-S263 WeakPolarHBondContact O-CA 3.23Å; Y259-S263 WeakPolarHBondContact O-CB 3.48Å; Y259-S263 PolarHBondContact O-N 3.19Å; Y259-S263 PolarHBondContact O-OG 3.34Å; Y259-L268 HydrophobicContact CE1-CD1 3.84Å; Y259-A812 HydrophobicContact CD1-CB 3.77Å; Y259-A812 HydrophobicContact CD2-CB 4.01Å; Y259-A812 HydrophobicContact CE1-CB 3.49Å; Y259-A812 VanDerWaalsContact CE1-CB 3.49Å; Y259-A812 HydrophobicContact CE2-CB 3.75Å; Y259-A812 HydrophobicContact CG-CB 4.01Å; Y259-A812 VanDerWaalsContact CZ-CB 3.47Å; Y259-V839 HydrophobicContact CD2-CG1 4.28Å; Y259-N840 WeakPolarHBondContact CA-OD1 3.28Å; Y259-N840 PolarHBondContact N-ND2 3.21Å; Y259-L843 HydrophobicContact CD2-CD1 3.64Å; Y259-L843 HydrophobicContact CE2-CD1 3.38Å; Y259-F849 HydrophobicContact CE2-CE2 4.21Å; Y259-F849 HydrophobicContact CE2-CZ 4.17Å
260	L	55.1	Low	46.2	Very low	50 Å²	50	79.9 Å²	79.9	26%	0.262	46%	0.456	S	S	.	.	H	α-helix	trans	-64.5	-45.4	179.6	-65.3	177.5	0	0	0	110.9	C256 S262 S263 L268	C256-L260 PolarHBondContact O-N 2.69Å; C256-L260 VanDerWaalsContact O-N 3.09Å; L260-S262 PolarHBondContact O-N 2.87Å; L260-S263 PolarHBondContact O-OG 2.87Å; L260-L268 HydrophobicContact CD2-CB 3.24Å; L260-L268 HydrophobicContact CD2-CD1 4.31Å; L260-L268 HydrophobicContact CD2-CG 4.24Å
261	A	56	Low	46.5	Very low	86 Å²	86	80 Å²	80	71%	0.711	46%	0.458	S	S	*	.	H	α-helix	trans	-70.2	-29.8	-178.2	0	0	0	0	0	114.3	L257	L257-A261 VanDerWaalsContact O-CB 3.27Å; L257-A261 WeakPolarHBondContact O-CB 3.33Å; L257-A261 PolarHBondContact O-N 3.31Å
262	S	56.3	Low	46.6	Very low	23 Å²	23	77.7 Å²	77.7	16%	0.161	45%	0.449	C	S	.	.	H	α-helix	trans	-107.4	-8.3	-178.1	71	0	0	0	0	114.5	D258 L260 C264 N840 M861	D258-S262 WeakPolarHBondContact O-CB 3.48Å; D258-S262 PolarHBondContact O-N 3.09Å; D258-S262 PolarHBondContact O-OG 3.28Å; L260-S262 PolarHBondContact O-N 2.87Å; S262-C264 PolarHBondContact O-N 2.95Å; S262-N840 PolarHBondContact OG-ND2 3.37Å; S262-M861 WeakPolarHBondContact O-CG 3.14Å
263	S	54.7	Low	46.4	Very low	8 Å²	8	76.3 Å²	76.3	6%	0.056	45%	0.452	C	S	.	.	S	Bend	trans	-55.6	131.3	167.8	66.5	0	0	0	0	108.2	Y259 L260 S265 L268	Y259-S263 WeakPolarHBondContact O-CA 3.23Å; Y259-S263 WeakPolarHBondContact O-CB 3.48Å; Y259-S263 PolarHBondContact O-N 3.19Å; Y259-S263 PolarHBondContact O-OG 3.34Å; L260-S263 PolarHBondContact O-OG 2.87Å; S263-S265 PolarHBondContact O-N 3.45Å; S263-L268 WeakPolarHBondContact OG-CD1 3.34Å
264	C	61.7	Low	46.2	Very low	46 Å²	46	75.9 Å²	75.9	31%	0.311	46%	0.46	S	S	.	.	S	Bend	trans	-70	20.5	-170.9	-51.3	0	0	0	0	113.7	S262 H853 C855	S262-C264 PolarHBondContact O-N 2.95Å; C264-H853 HydrophobicContact CB-CB 4.33Å; C264-H853 WeakPolarHBondContact CB-O 3.23Å; C264-C855 HydrophobicContact CB-CB 3.9Å; C264-C855 WeakPolarHBondContact CB-SG 3.37Å; C264-C855 WeakPolarHBondContact SG-CA 3.1Å; C264-C855 WeakPolarHBondContact SG-CB 3.45Å; C264-C855 CovalentContact SG-SG 2.02Å; C264-C855 PolarHBondContact SG-SG 2.84Å
265	S	52	Low	45.9	Very low	49 Å²	49	76.1 Å²	76.1	34%	0.343	46%	0.462	S	S	.	.	S	Bend	trans	-141.1	125.9	-178.5	-69.4	0	0	0	0	110.7	S263 N267	S263-S265 PolarHBondContact O-N 3.45Å; S265-N267 PolarHBondContact O-N 3.21Å
266	D	44.1	Very low	45.5	Very low	168 Å²	168	75.3 Å²	75.3	90%	0.898	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	15.6	-171.9	-61.7	-42.3	0	0	0	116.8
267	N	43.4	Very low	45.1	Very low	148 Å²	148	76.7 Å²	76.7	79%	0.791	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.3	29.9	-161.4	-88.6	-28.8	0	0	0	116.7	S265 T269	S265-N267 PolarHBondContact O-N 3.21Å; N267-T269 PolarHBondContact O-N 3.38Å
268	L	40.2	Very low	45	Very low	55 Å²	55	72.9 Å²	72.9	29%	0.288	45%	0.447	S	S	.	.			trans	-89.9	106.1	166.7	-78.3	147.6	0	0	0	109.5	Y259 L260 S263	Y259-L268 HydrophobicContact CE1-CD1 3.84Å; L260-L268 HydrophobicContact CD2-CB 3.24Å; L260-L268 HydrophobicContact CD2-CD1 4.31Å; L260-L268 HydrophobicContact CD2-CG 4.24Å; S263-L268 WeakPolarHBondContact OG-CD1 3.34Å
269	T	36	Very low	44.8	Very low	110 Å²	110	74.3 Å²	74.3	68%	0.675	46%	0.458	S	S	*	.			trans	-68.6	139.3	176.1	47.2	0	0	0	0	111.5	N267 D271	N267-T269 PolarHBondContact O-N 3.38Å; T269-D271 PolarHBondContact O-N 3.24Å
270	D	37.4	Very low	44.9	Very low	134 Å²	134	74.9 Å²	74.9	72%	0.717	46%	0.463	S	S	*	.			trans	-72.2	20.3	-173.9	-149.9	9.2	0	0	0	114.6	A272	D270-A272 PolarHBondContact O-N 2.93Å
271	D	32.5	Very low	45.8	Very low	137 Å²	137	74.4 Å²	74.4	73%	0.733	46%	0.461	S	S	*	.			trans	-75.1	105.7	-174.1	-76.6	-29.4	0	0	0	110.7	T269	T269-D271 PolarHBondContact O-N 3.24Å
272	A	34.2	Very low	46.7	Very low	80 Å²	80	75.1 Å²	75.1	66%	0.661	45%	0.453	S	S	*	.			trans	81.9	69.1	159.3	0	0	0	0	0	117.5	D270 S274	D270-A272 PolarHBondContact O-N 2.93Å; A272-S274 PolarHBondContact O-N 2.72Å
273	A	31	Very low	47.7	Very low	72 Å²	72	76 Å²	76	60%	0.595	45%	0.454	S	S	*	.			trans	-71.7	60.1	142.7	0	0	0	0	0	110.4	H275	A273-H275 PolarHBondContact O-N 2.72Å
274	S	32	Very low	49.1	Very low	90 Å²	90	75.6 Å²	75.6	63%	0.629	45%	0.451	S	S	*	.			trans	-75.1	112.4	173.3	58.6	0	0	0	0	109.6	A272 P276	A272-S274 PolarHBondContact O-N 2.72Å; S274-P276 VanDerWaalsContact O-CD 3.31Å; S274-P276 WeakPolarHBondContact O-CD 3.28Å
275	H	36.4	Very low	50.2	Low	108 Å²	108	75.7 Å²	75.7	50%	0.5	45%	0.448	S	S	.	.			trans	-69.1	122.3	-175.8	-57.3	-51.4	0	0	0	113	A273	A273-H275 PolarHBondContact O-N 2.72Å
276	P	37.3	Very low	51.9	Low	20 Å²	20	77.6 Å²	77.6	13%	0.13	46%	0.455	C	S	.	.			trans	-106.9	4.6	175.1	21	-0.9	0	0	0	113.9	S274 G278 V279 P706 Y819	S274-P276 VanDerWaalsContact O-CD 3.31Å; S274-P276 WeakPolarHBondContact O-CD 3.28Å; P276-G278 CarbonylContact O-C 2.95Å; P276-G278 PolarHBondContact O-N 3.46Å; P276-V279 HydrophobicContact CB-CB 4.31Å; P276-V279 HydrophobicContact CB-CG2 3.61Å; P276-V279 WeakPolarHBondContact O-CA 3.19Å; P276-V279 WeakPolarHBondContact O-CB 3.48Å; P276-V279 PolarHBondContact O-N 3.06Å; P276-P706 HydrophobicContact CG-CG 4.35Å; P276-Y819 HydrophobicContact CB-CD2 4.48Å; P276-Y819 HydrophobicContact CB-CE2 3.61Å; P276-Y819 HydrophobicContact CG-CD2 3.96Å; P276-Y819 HydrophobicContact CG-CE2 3.57Å; P276-Y819 VanDerWaalsContact O-CE2 3.29Å; P276-Y819 WeakPolarHBondContact O-CE2 3.38Å; P276-Y819 PolarHBondContact O-OH 2.95Å
277	T	42.5	Very low	54	Low	56 Å²	56	70.1 Å²	70.1	34%	0.344	42%	0.415	S	S	.	.	H	α-helix	trans	-53.2	-27.9	167.8	43.2	0	0	0	0	110.9	Y819	T277-Y819 WeakPolarHBondContact CA-OH 3.41Å; T277-Y819 HydrophobicContact CG2-CD1 3.75Å; T277-Y819 HydrophobicContact CG2-CD2 4.14Å; T277-Y819 HydrophobicContact CG2-CE1 3.76Å; T277-Y819 HydrophobicContact CG2-CE2 4.17Å; T277-Y819 HydrophobicContact CG2-CG 3.95Å; T277-Y819 VanDerWaalsContact N-CZ 3.34Å; T277-Y819 PolarHBondContact N-OH 2.89Å
278	G	46.1	Very low	56.3	Low	22 Å²	22	63.2 Å²	63.2	23%	0.227	38%	0.378	C	S	.	.	H	α-helix	trans	-67.9	-22.8	167.6	0	0	0	0	0	115.4	P276 N282	P276-G278 CarbonylContact O-C 2.95Å; P276-G278 PolarHBondContact O-N 3.46Å; G278-N282 VanDerWaalsContact O-CA 3.29Å; G278-N282 WeakPolarHBondContact O-CA 3.49Å; G278-N282 WeakPolarHBondContact O-CB 3.37Å; G278-N282 PolarHBondContact O-N 2.97Å; G278-N282 PolarHBondContact O-ND2 3.28Å; G278-N282 PolarHBondContact O-OD1 3.19Å
279	V	52	Low	58.7	Low	95 Å²	95	64.9 Å²	64.9	58%	0.576	39%	0.387	S	S	*	.	H	α-helix	trans	-67	-47.7	-177.6	179.2	0	0	0	0	111.7	P276 F283	P276-V279 HydrophobicContact CB-CB 4.31Å; P276-V279 HydrophobicContact CB-CG2 3.61Å; P276-V279 WeakPolarHBondContact O-CA 3.19Å; P276-V279 WeakPolarHBondContact O-CB 3.48Å; P276-V279 PolarHBondContact O-N 3.06Å; V279-F283 VanDerWaalsContact O-CB 3.22Å; V279-F283 WeakPolarHBondContact O-CB 3.12Å; V279-F283 PolarHBondContact O-N 3.17Å
280	A	63	Low	61.1	Low	15 Å²	15	65.4 Å²	65.4	12%	0.124	39%	0.386	C	S	.	.	H	α-helix	trans	-66.3	-45.3	176.1	0	0	0	0	0	110.7	F283 I284 F683	A280-F283 WeakPolarHBondContact O-CB 3.25Å; A280-F283 PolarHBondContact O-N 3.12Å; A280-I284 VanDerWaalsContact O-CG1 3.26Å; A280-I284 WeakPolarHBondContact O-CG1 3.27Å; A280-I284 PolarHBondContact O-N 3.14Å; A280-F683 HydrophobicContact CB-CD2 4.36Å; A280-F683 HydrophobicContact CB-CE2 4.23Å
281	D	74	Confident	63.3	Low	41 Å²	41	61.6 Å²	61.6	22%	0.219	37%	0.367	C	S	.	.	H	α-helix	trans	-68.4	-43.8	-178.6	-69.8	13.5	0	0	0	111.6	F283 I284 I285 I557 K561	D281-F283 VanDerWaalsContact C-N 3.3Å; D281-F283 PolarHBondContact O-N 3.4Å; D281-I284 CarbonylContact O-C 3.58Å; D281-I284 PolarHBondContact O-N 3.32Å; D281-I284 VanDerWaalsContact O-N 3.15Å; D281-I285 WeakPolarHBondContact O-CB 3.37Å; D281-I285 WeakPolarHBondContact O-CD1 3.37Å; D281-I285 WeakPolarHBondContact O-CG1 3.43Å; D281-I285 PolarHBondContact O-N 3.4Å; D281-I557 HydrophobicContact CB-CG2 4.3Å; D281-K561 VanDerWaalsContact CG-NZ 3.33Å; D281-K561 WeakPolarHBondContact OD1-CE 3.22Å; D281-K561 IonicContact OD1-NZ 3.61Å; D281-K561 PolarHBondContact OD1-NZ 3.25Å; D281-K561 IonicContact OD2-NZ 2.93Å; D281-K561 PolarHBondContact OD2-NZ 3.27Å
282	N	73.3	Confident	65.7	Low	101 Å²	101	60.9 Å²	60.9	54%	0.54	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-36.6	174.2	-66.4	-23.2	0	0	0	110.8	G278 N286	G278-N282 VanDerWaalsContact O-CA 3.29Å; G278-N282 WeakPolarHBondContact O-CA 3.49Å; G278-N282 WeakPolarHBondContact O-CB 3.37Å; G278-N282 PolarHBondContact O-N 2.97Å; G278-N282 PolarHBondContact O-ND2 3.28Å; G278-N282 PolarHBondContact O-OD1 3.19Å; N282-N286 WeakPolarHBondContact O-CB 3Å; N282-N286 PolarHBondContact O-N 3.05Å
283	F	77.4	Confident	68.1	Low	40 Å²	40	59.7 Å²	59.7	18%	0.175	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-50.8	170.9	163.6	-95.8	0	0	0	110.4	V279 A280 D281 N286 L287 I568 H572	V279-F283 VanDerWaalsContact O-CB 3.22Å; V279-F283 WeakPolarHBondContact O-CB 3.12Å; V279-F283 PolarHBondContact O-N 3.17Å; A280-F283 WeakPolarHBondContact O-CB 3.25Å; A280-F283 PolarHBondContact O-N 3.12Å; D281-F283 VanDerWaalsContact C-N 3.3Å; D281-F283 PolarHBondContact O-N 3.4Å; F283-N286 PolarHBondContact O-N 3.29Å; F283-L287 HydrophobicContact CE1-CD2 4.02Å; F283-L287 HydrophobicContact CZ-CB 4.29Å; F283-L287 HydrophobicContact CZ-CD2 3.94Å; F283-L287 HydrophobicContact CZ-CG 4.48Å; F283-L287 WeakPolarHBondContact O-CB 3.26Å; F283-L287 PolarHBondContact O-N 2.95Å; F283-I568 HydrophobicContact CE1-CG2 4.35Å; F283-H572 AromaticContact CD1-CD2 3.63Å; F283-H572 HydrophobicContact CE1-CB 3.85Å; F283-H572 AromaticContact CE1-CD2 3.4Å; F283-H572 WeakPolarHBondContact CE1-CD2 3.24Å; F283-H572 AromaticContact CE1-CG 3.99Å; F283-H572 AromaticContact CE2-CD2 3.85Å; F283-H572 AromaticContact CG-CD2 3.99Å; F283-H572 HydrophobicContact CZ-CB 3.76Å; F283-H572 AromaticContact CZ-CD2 3.51Å
284	I	83.8	Confident	70.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-45.7	-179.2	-63.7	168.7	0	0	0	110.6	A280 D281 N286 L287 L288 I557 K561 I568 F683	A280-I284 VanDerWaalsContact O-CG1 3.26Å; A280-I284 WeakPolarHBondContact O-CG1 3.27Å; A280-I284 PolarHBondContact O-N 3.14Å; D281-I284 CarbonylContact O-C 3.58Å; D281-I284 PolarHBondContact O-N 3.32Å; D281-I284 VanDerWaalsContact O-N 3.15Å; I284-N286 PolarHBondContact O-N 3.1Å; I284-L287 WeakPolarHBondContact O-CB 3.32Å; I284-L287 PolarHBondContact O-N 3.36Å; I284-L288 HydrophobicContact CG2-CD1 3.59Å; I284-L288 HydrophobicContact CG2-CG 4.23Å; I284-L288 WeakPolarHBondContact O-CB 3.05Å; I284-L288 WeakPolarHBondContact O-CG 3.28Å; I284-L288 PolarHBondContact O-N 3.31Å; I284-I557 HydrophobicContact CG2-CD1 3.95Å; I284-K561 HydrophobicContact CD1-CD 4.21Å; I284-K561 HydrophobicContact CD1-CG 3.72Å; I284-I568 HydrophobicContact CD1-CG2 4.33Å; I284-I568 HydrophobicContact CG1-CG2 3.87Å; I284-I568 HydrophobicContact CG2-CD1 4.23Å; I284-F683 HydrophobicContact CD1-CE2 4.15Å; I284-F683 HydrophobicContact CD1-CZ 3.98Å; I284-F683 HydrophobicContact CG1-CZ 4.28Å
285	I	86.7	Confident	73.5	Confident	48 Å²	48	63.5 Å²	63.5	25%	0.246	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-48.7	176.5	-67.9	161.8	0	0	0	110.1	D281 L287 L288 N289 I557	D281-I285 WeakPolarHBondContact O-CB 3.37Å; D281-I285 WeakPolarHBondContact O-CD1 3.37Å; D281-I285 WeakPolarHBondContact O-CG1 3.43Å; D281-I285 PolarHBondContact O-N 3.4Å; I285-L287 VanDerWaalsContact C-N 3.33Å; I285-L287 PolarHBondContact O-N 2.95Å; I285-L288 PolarHBondContact O-N 3.47Å; I285-N289 WeakPolarHBondContact CG2-ND2 3.39Å; I285-N289 VanDerWaalsContact O-CB 3.25Å; I285-N289 WeakPolarHBondContact O-CB 3.43Å; I285-N289 PolarHBondContact O-N 3.49Å; I285-N289 PolarHBondContact O-ND2 3.4Å; I285-I557 HydrophobicContact CB-CD1 4.43Å; I285-I557 HydrophobicContact CD1-CD1 4.35Å; I285-I557 HydrophobicContact CD1-CG1 4.05Å; I285-I557 HydrophobicContact CG1-CD1 3.37Å; I285-I557 HydrophobicContact CG1-CG1 3.61Å
286	N	86.2	Confident	76	Confident	90 Å²	90	59.1 Å²	59.1	48%	0.481	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-41.7	178.7	-177	34.6	0	0	0	111.1	N282 F283 I284 N290	N282-N286 WeakPolarHBondContact O-CB 3Å; N282-N286 PolarHBondContact O-N 3.05Å; F283-N286 PolarHBondContact O-N 3.29Å; I284-N286 PolarHBondContact O-N 3.1Å; N286-N290 VanDerWaalsContact O-CB 3.27Å; N286-N290 WeakPolarHBondContact O-CB 3.4Å; N286-N290 PolarHBondContact O-N 2.79Å; N286-N290 PolarHBondContact OD1-ND2 2.63Å
287	L	88.3	Confident	78.6	Confident	11 Å²	11	62.2 Å²	62.2	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-54.1	175.2	175.3	70.6	0	0	0	110.3	F283 I284 I285 N289 T291 F299 I568 Y571	F283-L287 HydrophobicContact CE1-CD2 4.02Å; F283-L287 HydrophobicContact CZ-CB 4.29Å; F283-L287 HydrophobicContact CZ-CD2 3.94Å; F283-L287 HydrophobicContact CZ-CG 4.48Å; F283-L287 WeakPolarHBondContact O-CB 3.26Å; F283-L287 PolarHBondContact O-N 2.95Å; I284-L287 WeakPolarHBondContact O-CB 3.32Å; I284-L287 PolarHBondContact O-N 3.36Å; I285-L287 VanDerWaalsContact C-N 3.33Å; I285-L287 PolarHBondContact O-N 2.95Å; L287-N289 PolarHBondContact O-N 2.96Å; L287-T291 HydrophobicContact CD1-CG2 4.36Å; L287-T291 WeakPolarHBondContact CD1-OG1 3.44Å; L287-T291 WeakPolarHBondContact O-CA 3.32Å; L287-T291 WeakPolarHBondContact O-CB 3.19Å; L287-T291 PolarHBondContact O-N 2.95Å; L287-T291 PolarHBondContact O-OG1 3.42Å; L287-T291 VanDerWaalsContact O-OG1 3.08Å; L287-F299 HydrophobicContact CD1-CE2 4.05Å; L287-F299 HydrophobicContact CD1-CZ 4.23Å; L287-F299 HydrophobicContact CD2-CE2 4.05Å; L287-F299 HydrophobicContact CG-CE2 3.79Å; L287-F299 HydrophobicContact CG-CZ 4.1Å; L287-I568 HydrophobicContact CD2-CG2 4.2Å; L287-Y571 HydrophobicContact CD1-CD1 3.87Å; L287-Y571 HydrophobicContact CD1-CG 4.02Å; L287-Y571 HydrophobicContact CD2-CG 4.49Å
288	L	91.5	Very high	80.9	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-67.6	-35	-176.4	-65.5	167.3	0	0	0	113	I284 I285 F299 A302 V303 Y306 I557 V560	I284-L288 HydrophobicContact CG2-CD1 3.59Å; I284-L288 HydrophobicContact CG2-CG 4.23Å; I284-L288 WeakPolarHBondContact O-CB 3.05Å; I284-L288 WeakPolarHBondContact O-CG 3.28Å; I284-L288 PolarHBondContact O-N 3.31Å; I285-L288 PolarHBondContact O-N 3.47Å; L288-F299 HydrophobicContact CD2-CE2 4.45Å; L288-A302 HydrophobicContact CD2-CB 4.06Å; L288-V303 HydrophobicContact CD2-CG2 4.06Å; L288-Y306 HydrophobicContact CB-CD1 3.92Å; L288-Y306 HydrophobicContact CB-CE1 4.4Å; L288-Y306 HydrophobicContact CB-CG 4.38Å; L288-Y306 HydrophobicContact CD1-CD1 4.06Å; L288-Y306 HydrophobicContact CD1-CD2 4Å; L288-Y306 HydrophobicContact CD1-CG 3.73Å; L288-I557 HydrophobicContact CD1-CD1 4.15Å; L288-V560 HydrophobicContact CD1-CG1 3.75Å; L288-V560 HydrophobicContact CD2-CG1 4.46Å
289	N	90.2	Very high	83.1	Confident	90 Å²	90	61.8 Å²	61.8	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-83.1	-34.4	-178.6	-75	-24.5	0	0	0	113.6	I285 L287 Y306	I285-N289 WeakPolarHBondContact CG2-ND2 3.39Å; I285-N289 VanDerWaalsContact O-CB 3.25Å; I285-N289 WeakPolarHBondContact O-CB 3.43Å; I285-N289 PolarHBondContact O-N 3.49Å; I285-N289 PolarHBondContact O-ND2 3.4Å; L287-N289 PolarHBondContact O-N 2.96Å; N289-Y306 WeakPolarHBondContact OD1-CE1 3Å
290	N	87.1	Confident	85.1	Confident	121 Å²	121	59.3 Å²	59.3	65%	0.647	32%	0.324	S	S	*	.	H	α-helix	trans	-113.7	-9.9	-168.8	-62.8	-43.9	0	0	0	114.4	N286	N286-N290 VanDerWaalsContact O-CB 3.27Å; N286-N290 WeakPolarHBondContact O-CB 3.4Å; N286-N290 PolarHBondContact O-N 2.79Å; N286-N290 PolarHBondContact OD1-ND2 2.63Å
291	T	83.3	Confident	86.6	Confident	53 Å²	53	59.6 Å²	59.6	33%	0.325	33%	0.325	S	S	.	.			trans	-96.3	123.4	173.6	-51.3	0	0	0	0	109	L287 F299 Y571	L287-T291 HydrophobicContact CD1-CG2 4.36Å; L287-T291 WeakPolarHBondContact CD1-OG1 3.44Å; L287-T291 WeakPolarHBondContact O-CA 3.32Å; L287-T291 WeakPolarHBondContact O-CB 3.19Å; L287-T291 PolarHBondContact O-N 2.95Å; L287-T291 PolarHBondContact O-OG1 3.42Å; L287-T291 VanDerWaalsContact O-OG1 3.08Å; T291-F299 HydrophobicContact CG2-CE1 4Å; T291-F299 HydrophobicContact CG2-CZ 4.05Å; T291-F299 WeakPolarHBondContact O-CE1 3.48Å; T291-Y571 HydrophobicContact CG2-CD1 4.26Å; T291-Y571 HydrophobicContact CG2-CE1 4.11Å
292	N	82.5	Confident	87.6	Confident	123 Å²	123	57.6 Å²	57.6	66%	0.658	32%	0.315	S	S	*	.			trans	-118.6	110	171.2	-175.2	21.8	0	0	0	108.2
293	N	86	Confident	88.7	Confident	54 Å²	54	53.1 Å²	53.1	29%	0.289	29%	0.291	S	S	.	.			trans	-128.8	80	176.5	-170.2	3.7	0	0	0	109.5	D295 D296 F299 Y571	N293-D295 PolarHBondContact O-N 2.94Å; N293-D295 VanDerWaalsContact O-N 3.16Å; N293-D296 HydrophobicContact CB-CB 4.4Å; N293-D296 PolarHBondContact O-N 3.13Å; N293-F299 HydrophobicContact CB-CD1 4.26Å; N293-Y571 HydrophobicContact CB-CE1 4.44Å; N293-Y571 PolarHBondContact ND2-OH 2.83Å
294	P	85.8	Confident	89.6	Confident	87 Å²	87	52.9 Å²	52.9	57%	0.565	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.1	-175	26.7	-35	0	0	0	113.4	D296	P294-D296 VanDerWaalsContact C-N 3.26Å; P294-D296 PolarHBondContact O-N 3.48Å
295	D	89.6	Confident	90.2	Very high	156 Å²	156	53 Å²	53	83%	0.834	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.6	176.3	-63.8	-33.2	0	0	0	112.3	N293	N293-D295 PolarHBondContact O-N 2.94Å; N293-D295 VanDerWaalsContact O-N 3.16Å
296	D	89.5	Confident	90.6	Very high	16 Å²	16	51.8 Å²	51.8	9%	0.086	28%	0.284	C	S	.	.			trans	-101.2	86.8	174.3	-167.4	-23.9	0	0	0	110.2	N293 P294 R298 F299 M300 K570 Y571	N293-D296 HydrophobicContact CB-CB 4.4Å; N293-D296 PolarHBondContact O-N 3.13Å; P294-D296 VanDerWaalsContact C-N 3.26Å; P294-D296 PolarHBondContact O-N 3.48Å; D296-R298 PolarHBondContact O-N 3.44Å; D296-R298 VanDerWaalsContact O-N 3.15Å; D296-R298 PolarHBondContact OD1-N 2.96Å; D296-F299 HydrophobicContact CB-CB 3.92Å; D296-F299 WeakPolarHBondContact O-CB 3.4Å; D296-F299 PolarHBondContact O-N 3.42Å; D296-F299 VanDerWaalsContact O-N 3.15Å; D296-F299 PolarHBondContact OD1-N 3.35Å; D296-F299 VanDerWaalsContact OD1-N 3.16Å; D296-M300 PolarHBondContact O-N 3.47Å; D296-K570 IonicContact OD1-NZ 2.59Å; D296-K570 IonicContact OD2-NZ 3.94Å; D296-K570 PolarHBondContact OD2-NZ 3.49Å; D296-Y571 WeakPolarHBondContact CB-OH 3.21Å; D296-Y571 VanDerWaalsContact CG-OH 3.22Å; D296-Y571 WeakPolarHBondContact OD2-CE2 3.47Å; D296-Y571 PolarHBondContact OD2-OH 2.93Å
297	S	91	Very high	91	Very high	85 Å²	85	50.6 Å²	50.6	59%	0.594	28%	0.275	S	S	*	.	H	α-helix	trans	-58.2	-30.2	-177.6	67.3	0	0	0	0	113.2	M300 S301	S297-M300 PolarHBondContact O-N 2.85Å; S297-S301 PolarHBondContact O-N 3.21Å; S297-S301 PolarHBondContact O-OG 3.32Å
298	R	91.7	Very high	91.3	Very high	69 Å²	69	50.3 Å²	50.3	26%	0.26	27%	0.274	S	S	.	.	H	α-helix	trans	-72.8	-41.5	179.7	-65.6	-176.3	179.2	173.3	-2.1	111.2	D296 M300 S301 A302 T567 E637 F643	D296-R298 PolarHBondContact O-N 3.44Å; D296-R298 VanDerWaalsContact O-N 3.15Å; D296-R298 PolarHBondContact OD1-N 2.96Å; R298-M300 VanDerWaalsContact C-N 3.32Å; R298-S301 WeakPolarHBondContact O-CB 3.19Å; R298-S301 PolarHBondContact O-N 2.96Å; R298-A302 PolarHBondContact O-N 3.45Å; R298-T567 HydrophobicContact CB-CG2 4.37Å; R298-E637 WeakPolarHBondContact CD-OE1 3.39Å; R298-E637 WeakPolarHBondContact CD-OE2 3.15Å; R298-E637 IonicContact CZ-OE2 2.78Å; R298-E637 IonicContact NE-OE2 2.79Å; R298-E637 IonicContact NH1-OE2 2.65Å; R298-E637 PolarHBondContact NH1-OE2 3.32Å; R298-F643 HydrophobicContact CB-CD1 4.27Å; R298-F643 HydrophobicContact CB-CE1 3.62Å; R298-F643 HydrophobicContact CB-CE2 4.42Å; R298-F643 HydrophobicContact CB-CZ 3.72Å; R298-F643 HydrophobicContact CG-CD1 3.94Å; R298-F643 HydrophobicContact CG-CD2 4.43Å; R298-F643 HydrophobicContact CG-CE1 3.79Å; R298-F643 HydrophobicContact CG-CE2 4.3Å; R298-F643 HydrophobicContact CG-CG 4.27Å; R298-F643 HydrophobicContact CG-CZ 4Å
299	F	92.1	Very high	91.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-43.7	170.3	-178	-102.6	0	0	0	111.5	L287 L288 T291 N293 D296 S301 A302 V303 T567 Y571	L287-F299 HydrophobicContact CD1-CE2 4.05Å; L287-F299 HydrophobicContact CD1-CZ 4.23Å; L287-F299 HydrophobicContact CD2-CE2 4.05Å; L287-F299 HydrophobicContact CG-CE2 3.79Å; L287-F299 HydrophobicContact CG-CZ 4.1Å; L288-F299 HydrophobicContact CD2-CE2 4.45Å; T291-F299 HydrophobicContact CG2-CE1 4Å; T291-F299 HydrophobicContact CG2-CZ 4.05Å; T291-F299 WeakPolarHBondContact O-CE1 3.48Å; N293-F299 HydrophobicContact CB-CD1 4.26Å; D296-F299 HydrophobicContact CB-CB 3.92Å; D296-F299 WeakPolarHBondContact O-CB 3.4Å; D296-F299 PolarHBondContact O-N 3.42Å; D296-F299 VanDerWaalsContact O-N 3.15Å; D296-F299 PolarHBondContact OD1-N 3.35Å; D296-F299 VanDerWaalsContact OD1-N 3.16Å; F299-S301 VanDerWaalsContact C-N 3.3Å; F299-S301 PolarHBondContact O-N 3.35Å; F299-A302 WeakPolarHBondContact O-CB 2.84Å; F299-A302 PolarHBondContact O-N 2.87Å; F299-V303 HydrophobicContact CD1-CG2 4.17Å; F299-V303 HydrophobicContact CE1-CG2 3.65Å; F299-V303 HydrophobicContact CZ-CG2 3.83Å; F299-V303 PolarHBondContact O-N 3.49Å; F299-T567 VanDerWaalsContact CA-CG2 3.47Å; F299-T567 HydrophobicContact CB-CG2 4.08Å; F299-T567 HydrophobicContact CD2-CG2 4.28Å; F299-Y571 HydrophobicContact CB-CE2 3.68Å; F299-Y571 HydrophobicContact CD1-CE1 4.4Å; F299-Y571 HydrophobicContact CD2-CD1 4.28Å; F299-Y571 AromaticContact CD2-CD2 3.75Å; F299-Y571 HydrophobicContact CD2-CD2 3.75Å; F299-Y571 HydrophobicContact CD2-CE1 4.09Å; F299-Y571 AromaticContact CD2-CE2 3.55Å; F299-Y571 HydrophobicContact CD2-CE2 3.55Å; F299-Y571 HydrophobicContact CD2-CG 4.12Å; F299-Y571 AromaticContact CD2-CZ 3.73Å; F299-Y571 HydrophobicContact CE2-CD1 4.29Å; F299-Y571 HydrophobicContact CE2-CD2 4.34Å; F299-Y571 HydrophobicContact CE2-CE1 4.38Å; F299-Y571 HydrophobicContact CE2-CE2 4.45Å; F299-Y571 HydrophobicContact CE2-CG 4.27Å; F299-Y571 HydrophobicContact CG-CD2 4.38Å; F299-Y571 HydrophobicContact CG-CE1 4.11Å; F299-Y571 AromaticContact CG-CE2 3.72Å; F299-Y571 HydrophobicContact CG-CE2 3.72Å; F299-Y571 AromaticContact CG-CZ 3.56Å
300	M	94	Very high	91.6	Very high	42 Å²	42	47.9 Å²	47.9	21%	0.207	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-35.2	175.3	-65.8	-51.8	-55.9	0	0	112.7	D296 S297 R298 A302 V303 N304	D296-M300 PolarHBondContact O-N 3.47Å; S297-M300 PolarHBondContact O-N 2.85Å; R298-M300 VanDerWaalsContact C-N 3.32Å; M300-A302 VanDerWaalsContact C-N 3.32Å; M300-A302 PolarHBondContact O-N 2.84Å; M300-V303 HydrophobicContact CE-CG1 4.5Å; M300-V303 PolarHBondContact O-N 3.14Å; M300-N304 WeakPolarHBondContact O-CB 3.37Å; M300-N304 PolarHBondContact O-N 3.33Å; M300-N304 PolarHBondContact O-OD1 3.42Å
301	S	95	Very high	91.7	Very high	21 Å²	21	46.3 Å²	46.3	15%	0.147	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-39.5	171.2	-64.4	0	0	0	0	112.7	S297 R298 F299 N304 Y305 I647	S297-S301 PolarHBondContact O-N 3.21Å; S297-S301 PolarHBondContact O-OG 3.32Å; R298-S301 WeakPolarHBondContact O-CB 3.19Å; R298-S301 PolarHBondContact O-N 2.96Å; F299-S301 VanDerWaalsContact C-N 3.3Å; F299-S301 PolarHBondContact O-N 3.35Å; S301-N304 PolarHBondContact O-N 3.26Å; S301-Y305 WeakPolarHBondContact O-CB 3.49Å; S301-Y305 PolarHBondContact O-N 3.49Å; S301-I647 WeakPolarHBondContact O-CG2 3.34Å
302	A	95	Very high	91.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-41.9	175.8	0	0	0	0	0	111.8	L288 R298 F299 M300 Y306 F564 T567	L288-A302 HydrophobicContact CD2-CB 4.06Å; R298-A302 PolarHBondContact O-N 3.45Å; F299-A302 WeakPolarHBondContact O-CB 2.84Å; F299-A302 PolarHBondContact O-N 2.87Å; M300-A302 VanDerWaalsContact C-N 3.32Å; M300-A302 PolarHBondContact O-N 2.84Å; A302-Y306 WeakPolarHBondContact O-CB 3.42Å; A302-Y306 PolarHBondContact O-N 3.07Å; A302-F564 HydrophobicContact CB-CB 3.66Å; A302-F564 HydrophobicContact CB-CD1 3.69Å; A302-F564 HydrophobicContact CB-CD2 4.01Å; A302-F564 HydrophobicContact CB-CE1 4.36Å; A302-F564 HydrophobicContact CB-CG 3.49Å; A302-F564 VanDerWaalsContact CB-CG 3.49Å; A302-T567 HydrophobicContact CB-CG2 4.43Å
303	V	96	Very high	91.9	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-48.8	175	174.3	0	0	0	0	111	L288 F299 M300 Y305 Y306 K307	L288-V303 HydrophobicContact CD2-CG2 4.06Å; F299-V303 HydrophobicContact CD1-CG2 4.17Å; F299-V303 HydrophobicContact CE1-CG2 3.65Å; F299-V303 HydrophobicContact CZ-CG2 3.83Å; F299-V303 PolarHBondContact O-N 3.49Å; M300-V303 HydrophobicContact CE-CG1 4.5Å; M300-V303 PolarHBondContact O-N 3.14Å; V303-Y305 VanDerWaalsContact C-N 3.33Å; V303-Y305 PolarHBondContact O-N 3.2Å; V303-Y306 PolarHBondContact O-N 3.06Å; V303-K307 HydrophobicContact CG1-CD 4.13Å; V303-K307 HydrophobicContact CG1-CG 4.37Å; V303-K307 WeakPolarHBondContact O-CG 3.17Å; V303-K307 PolarHBondContact O-N 3.33Å
304	N	95.7	Very high	91.8	Very high	34 Å²	34	45.2 Å²	45.2	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-44.8	178.6	-70.8	-1	0	0	0	111.2	M300 S301 S308 I647 E649	M300-N304 WeakPolarHBondContact O-CB 3.37Å; M300-N304 PolarHBondContact O-N 3.33Å; M300-N304 PolarHBondContact O-OD1 3.42Å; S301-N304 PolarHBondContact O-N 3.26Å; N304-S308 VanDerWaalsContact O-CB 3.31Å; N304-S308 WeakPolarHBondContact O-CB 3.41Å; N304-S308 PolarHBondContact O-N 3.37Å; N304-S308 PolarHBondContact O-OG 2.98Å; N304-I647 HydrophobicContact CB-CG2 4.25Å; N304-I647 PolarHBondContact ND2-O 3.46Å; N304-E649 HydrophobicContact CB-CB 4.17Å
305	Y	96.4	Very high	91.8	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-51	175.6	-164.6	-74.1	0	0	0	111	S301 V303 K307 S308 C309 E559 V560 N563 F564 I647 N655 S659	S301-Y305 WeakPolarHBondContact O-CB 3.49Å; S301-Y305 PolarHBondContact O-N 3.49Å; V303-Y305 VanDerWaalsContact C-N 3.33Å; V303-Y305 PolarHBondContact O-N 3.2Å; Y305-K307 VanDerWaalsContact C-N 3.35Å; Y305-K307 PolarHBondContact O-N 2.74Å; Y305-S308 PolarHBondContact O-N 3.3Å; Y305-S308 PolarHBondContact O-OG 3.47Å; Y305-C309 PolarHBondContact O-N 3.49Å; Y305-E559 HydrophobicContact CE1-CB 3.72Å; Y305-E559 PolarHBondContact OH-OE2 3.39Å; Y305-V560 HydrophobicContact CD1-CG2 3.89Å; Y305-N563 PolarHBondContact OH-ND2 2.76Å; Y305-F564 VanDerWaalsContact CB-CE2 3.42Å; Y305-F564 HydrophobicContact CD1-CE2 4.3Å; Y305-F564 AromaticContact CD2-CE2 3.6Å; Y305-F564 HydrophobicContact CD2-CE2 3.6Å; Y305-F564 AromaticContact CD2-CZ 3.95Å; Y305-F564 HydrophobicContact CD2-CZ 3.95Å; Y305-F564 HydrophobicContact CE2-CE2 4.42Å; Y305-F564 AromaticContact CG-CE2 3.52Å; Y305-F564 HydrophobicContact CG-CE2 3.52Å; Y305-F564 HydrophobicContact CG-CZ 4.15Å; Y305-I647 HydrophobicContact CD2-CG2 4.12Å; Y305-N655 HydrophobicContact CD2-CB 3.73Å; Y305-N655 HydrophobicContact CE2-CB 3.67Å; Y305-N655 WeakPolarHBondContact CE2-O 3.17Å; Y305-S659 WeakPolarHBondContact OH-CB 3.38Å
306	Y	95.7	Very high	91.9	Very high	23 Å²	23	42.2 Å²	42.2	9%	0.09	23%	0.23	C	C	.	.	H	α-helix	trans	-56.3	-50.2	-178.4	-177.7	-118.2	0	0	0	111.5	L288 N289 A302 V303 C309 T310 C556 I557 V560	L288-Y306 HydrophobicContact CB-CD1 3.92Å; L288-Y306 HydrophobicContact CB-CE1 4.4Å; L288-Y306 HydrophobicContact CB-CG 4.38Å; L288-Y306 HydrophobicContact CD1-CD1 4.06Å; L288-Y306 HydrophobicContact CD1-CD2 4Å; L288-Y306 HydrophobicContact CD1-CG 3.73Å; N289-Y306 WeakPolarHBondContact OD1-CE1 3Å; A302-Y306 WeakPolarHBondContact O-CB 3.42Å; A302-Y306 PolarHBondContact O-N 3.07Å; V303-Y306 PolarHBondContact O-N 3.06Å; Y306-C309 WeakPolarHBondContact O-CB 3.34Å; Y306-C309 PolarHBondContact O-N 2.78Å; Y306-T310 HydrophobicContact CD1-CG2 4.48Å; Y306-T310 HydrophobicContact CD2-CG2 4.16Å; Y306-T310 HydrophobicContact CE1-CG2 4.08Å; Y306-T310 HydrophobicContact CE2-CG2 3.7Å; Y306-T310 WeakPolarHBondContact O-CG2 3.31Å; Y306-T310 PolarHBondContact O-N 2.93Å; Y306-T310 PolarHBondContact O-OG1 3.44Å; Y306-C556 HydrophobicContact CD2-CB 4.04Å; Y306-C556 HydrophobicContact CE2-CB 3.94Å; Y306-I557 HydrophobicContact CD2-CD1 3.9Å; Y306-I557 HydrophobicContact CE2-CD1 3.3Å; Y306-I557 HydrophobicContact CE2-CG1 3.83Å; Y306-V560 HydrophobicContact CD2-CG2 3.95Å; Y306-V560 HydrophobicContact CG-CG2 4.3Å
307	K	95.1	Very high	91.8	Very high	66 Å²	66	46.2 Å²	46.2	29%	0.287	25%	0.25	S	S	.	.	H	α-helix	trans	-63.1	-45.7	178.7	-70.8	-177.6	-179.4	-179.8	0	112.7	V303 Y305 C309 T310 D311 E649	V303-K307 HydrophobicContact CG1-CD 4.13Å; V303-K307 HydrophobicContact CG1-CG 4.37Å; V303-K307 WeakPolarHBondContact O-CG 3.17Å; V303-K307 PolarHBondContact O-N 3.33Å; Y305-K307 VanDerWaalsContact C-N 3.35Å; Y305-K307 PolarHBondContact O-N 2.74Å; K307-C309 PolarHBondContact O-N 3.26Å; K307-T310 WeakPolarHBondContact CA-OG1 3.46Å; K307-T310 PolarHBondContact O-N 3.42Å; K307-T310 VanDerWaalsContact O-N 3.08Å; K307-T310 PolarHBondContact O-OG1 3.41Å; K307-T310 VanDerWaalsContact O-OG1 3.12Å; K307-D311 VanDerWaalsContact O-CB 3.31Å; K307-D311 WeakPolarHBondContact O-CB 3.4Å; K307-D311 PolarHBondContact O-N 2.98Å; K307-E649 HydrophobicContact CB-CG 3.91Å; K307-E649 HydrophobicContact CD-CG 3.94Å; K307-E649 WeakPolarHBondContact CD-OE1 3.36Å; K307-E649 WeakPolarHBondContact CD-OE2 3.46Å; K307-E649 VanDerWaalsContact NZ-CD 3.25Å; K307-E649 IonicContact NZ-OE1 2.88Å; K307-E649 PolarHBondContact NZ-OE1 3.19Å; K307-E649 IonicContact NZ-OE2 3.77Å; K307-E649 PolarHBondContact NZ-OE2 2.85Å
308	S	95	Very high	91.6	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.028	24%	0.241	C	C	.	.	H	α-helix	trans	-55.3	-39	176.2	76.4	0	0	0	0	111.2	N304 Y305 S312 E649 Y652 N655	N304-S308 VanDerWaalsContact O-CB 3.31Å; N304-S308 WeakPolarHBondContact O-CB 3.41Å; N304-S308 PolarHBondContact O-N 3.37Å; N304-S308 PolarHBondContact O-OG 2.98Å; Y305-S308 PolarHBondContact O-N 3.3Å; Y305-S308 PolarHBondContact O-OG 3.47Å; S308-S312 WeakPolarHBondContact O-CB 3.47Å; S308-S312 PolarHBondContact O-N 3.38Å; S308-E649 VanDerWaalsContact CA-O 3.32Å; S308-E649 WeakPolarHBondContact CA-O 3.33Å; S308-E649 WeakPolarHBondContact CB-O 2.95Å; S308-Y652 WeakPolarHBondContact O-CB 3.4Å; S308-N655 PolarHBondContact OG-ND2 3.04Å
309	C	94.4	Very high	91.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72.1	-41.4	176.4	-177.8	0	0	0	0	113.3	Y305 Y306 K307 P313 C556 Y652	Y305-C309 PolarHBondContact O-N 3.49Å; Y306-C309 WeakPolarHBondContact O-CB 3.34Å; Y306-C309 PolarHBondContact O-N 2.78Å; K307-C309 PolarHBondContact O-N 3.26Å; C309-P313 WeakPolarHBondContact O-CD 3.41Å; C309-C556 HydrophobicContact CB-CB 3.71Å; C309-C556 WeakPolarHBondContact CB-SG 3.4Å; C309-C556 PolarHBondContact O-SG 3.23Å; C309-C556 WeakPolarHBondContact SG-CA 3.44Å; C309-C556 WeakPolarHBondContact SG-CB 2.88Å; C309-C556 CovalentContact SG-SG 2.05Å; C309-C556 PolarHBondContact SG-SG 3.35Å; C309-Y652 VanDerWaalsContact CA-CD2 3.43Å; C309-Y652 HydrophobicContact CB-CD2 3.78Å; C309-Y652 HydrophobicContact CB-CE2 3.46Å; C309-Y652 VanDerWaalsContact CB-CE2 3.46Å
310	T	91.9	Very high	91.4	Very high	43 Å²	43	44.9 Å²	44.9	26%	0.264	25%	0.248	S	C	.	.	H	α-helix	trans	-75.5	-30.5	-177.9	53.3	0	0	0	0	113.2	Y306 K307 C556	Y306-T310 HydrophobicContact CD1-CG2 4.48Å; Y306-T310 HydrophobicContact CD2-CG2 4.16Å; Y306-T310 HydrophobicContact CE1-CG2 4.08Å; Y306-T310 HydrophobicContact CE2-CG2 3.7Å; Y306-T310 WeakPolarHBondContact O-CG2 3.31Å; Y306-T310 PolarHBondContact O-N 2.93Å; Y306-T310 PolarHBondContact O-OG1 3.44Å; K307-T310 WeakPolarHBondContact CA-OG1 3.46Å; K307-T310 PolarHBondContact O-N 3.42Å; K307-T310 VanDerWaalsContact O-N 3.08Å; K307-T310 PolarHBondContact O-OG1 3.41Å; K307-T310 VanDerWaalsContact O-OG1 3.12Å; T310-C556 HydrophobicContact CG2-CB 3.99Å
311	D	89.9	Confident	91.1	Very high	88 Å²	88	45.5 Å²	45.5	47%	0.471	25%	0.251	S	S	.	.	H	α-helix	trans	-83.6	-33	-177.9	-67.3	-11.5	0	0	0	111.7	K307 N314	K307-D311 VanDerWaalsContact O-CB 3.31Å; K307-D311 WeakPolarHBondContact O-CB 3.4Å; K307-D311 PolarHBondContact O-N 2.98Å; D311-N314 PolarHBondContact O-N 3Å
312	S	87.4	Confident	90.7	Very high	12 Å²	12	48.7 Å²	48.7	8%	0.084	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-54.5	-43.3	-178.8	-179.7	0	0	0	0	113.9	S308 N314 A315 I320 Y540	S308-S312 WeakPolarHBondContact O-CB 3.47Å; S308-S312 PolarHBondContact O-N 3.38Å; S312-N314 PolarHBondContact O-N 3.06Å; S312-N314 VanDerWaalsContact O-N 3.16Å; S312-A315 WeakPolarHBondContact O-CB 3.41Å; S312-A315 PolarHBondContact O-N 3.08Å; S312-A315 VanDerWaalsContact O-N 3.11Å; S312-I320 WeakPolarHBondContact OG-CD1 3.46Å; S312-Y540 WeakPolarHBondContact CB-OH 3.44Å; S312-Y540 PolarHBondContact OG-OH 3.29Å
313	P	82.9	Confident	90.5	Very high	55 Å²	55	50.8 Å²	50.8	36%	0.357	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-57.2	-24.7	173.3	-28.8	36	0	0	0	116	C309	C309-P313 WeakPolarHBondContact O-CD 3.41Å
314	N	83.7	Confident	90.2	Very high	139 Å²	139	50.4 Å²	50.4	74%	0.743	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-91.1	-6.8	-179.7	-62.6	-45.4	0	0	0	112.9	D311 S312	D311-N314 PolarHBondContact O-N 3Å; S312-N314 PolarHBondContact O-N 3.06Å; S312-N314 VanDerWaalsContact O-N 3.16Å
315	A	86.9	Confident	89.9	Confident	38 Å²	38	49.4 Å²	49.4	31%	0.314	27%	0.268	S	S	.	.	S	Bend	trans	-73.2	150.5	179.2	0	0	0	0	0	111.7	S312 V319 I320	S312-A315 WeakPolarHBondContact O-CB 3.41Å; S312-A315 PolarHBondContact O-N 3.08Å; S312-A315 VanDerWaalsContact O-N 3.11Å; A315-V319 HydrophobicContact CB-CB 4.29Å; A315-V319 HydrophobicContact CB-CG1 4.26Å; A315-I320 HydrophobicContact CB-CD1 3.98Å; A315-I320 HydrophobicContact CB-CG1 4.28Å
316	E	90	Very high	89.5	Confident	142 Å²	142	53.4 Å²	53.4	66%	0.664	29%	0.286	S	S	*	.			trans	-61.8	145.8	171.8	-64.1	-173.3	175	0	0	110.7	S318 V319 I320	E316-S318 PolarHBondContact O-N 3.23Å; E316-S318 VanDerWaalsContact O-N 3.09Å; E316-S318 PolarHBondContact OE2-OG 3.03Å; E316-V319 HydrophobicContact CB-CG2 4.22Å; E316-V319 WeakPolarHBondContact O-CA 3.42Å; E316-V319 WeakPolarHBondContact O-CB 3.48Å; E316-V319 PolarHBondContact O-N 3.11Å; E316-I320 PolarHBondContact O-N 3.07Å
317	I	88.5	Confident	89.3	Confident	101 Å²	101	52.4 Å²	52.4	52%	0.518	28%	0.282	S	S	.	.	H	α-helix	trans	-52.8	-37.2	177.4	-66.1	172.1	0	0	0	111.5	V319 I320 E321 F541	I317-V319 VanDerWaalsContact C-N 3.27Å; I317-V319 PolarHBondContact O-N 3.16Å; I317-I320 PolarHBondContact O-N 2.98Å; I317-E321 HydrophobicContact CG2-CG 4.32Å; I317-E321 WeakPolarHBondContact O-CG 3.36Å; I317-E321 PolarHBondContact O-N 3.36Å; I317-F541 HydrophobicContact CG2-CE1 3.65Å; I317-F541 HydrophobicContact CG2-CZ 4.26Å
318	S	86.9	Confident	89.2	Confident	56 Å²	56	49.3 Å²	49.3	39%	0.392	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-31.9	177.7	71.5	0	0	0	0	113.4	E316 N322	E316-S318 PolarHBondContact O-N 3.23Å; E316-S318 VanDerWaalsContact O-N 3.09Å; E316-S318 PolarHBondContact OE2-OG 3.03Å; S318-N322 PolarHBondContact O-N 3.17Å; S318-N322 PolarHBondContact O-ND2 3.46Å
319	V	88.5	Confident	88.8	Confident	65 Å²	65	51 Å²	51	39%	0.394	28%	0.277	S	S	.	.	H	α-helix	trans	-72.4	-46	175.2	177.2	0	0	0	0	109.4	A315 E316 I317 E321 N322 E323	A315-V319 HydrophobicContact CB-CB 4.29Å; A315-V319 HydrophobicContact CB-CG1 4.26Å; E316-V319 HydrophobicContact CB-CG2 4.22Å; E316-V319 WeakPolarHBondContact O-CA 3.42Å; E316-V319 WeakPolarHBondContact O-CB 3.48Å; E316-V319 PolarHBondContact O-N 3.11Å; I317-V319 VanDerWaalsContact C-N 3.27Å; I317-V319 PolarHBondContact O-N 3.16Å; V319-E321 PolarHBondContact O-N 3Å; V319-N322 WeakPolarHBondContact O-CB 3.38Å; V319-N322 PolarHBondContact O-N 3.13Å; V319-N322 VanDerWaalsContact O-N 3.09Å; V319-E323 PolarHBondContact O-N 3.07Å
320	I	90.3	Very high	88.6	Confident	4 Å²	4	55 Å²	55	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-44.7	176.5	-60.7	-59.3	0	0	0	111.7	S312 A315 E316 I317 N322 E323 V324 Y540 F541 F653	S312-I320 WeakPolarHBondContact OG-CD1 3.46Å; A315-I320 HydrophobicContact CB-CD1 3.98Å; A315-I320 HydrophobicContact CB-CG1 4.28Å; E316-I320 PolarHBondContact O-N 3.07Å; I317-I320 PolarHBondContact O-N 2.98Å; I320-N322 VanDerWaalsContact C-N 3.29Å; I320-N322 PolarHBondContact O-N 2.98Å; I320-E323 PolarHBondContact O-N 3.47Å; I320-V324 WeakPolarHBondContact O-CG2 3.42Å; I320-V324 PolarHBondContact O-N 3.48Å; I320-Y540 HydrophobicContact CD1-CD1 4.08Å; I320-Y540 HydrophobicContact CD1-CE1 3.85Å; I320-Y540 HydrophobicContact CG1-CD1 3.89Å; I320-Y540 HydrophobicContact CG1-CE1 4.18Å; I320-Y540 HydrophobicContact CG1-CG 4.45Å; I320-Y540 HydrophobicContact CG2-CD1 4.14Å; I320-Y540 HydrophobicContact CG2-CD2 4.18Å; I320-Y540 HydrophobicContact CG2-CG 3.84Å; I320-F541 HydrophobicContact CB-CZ 4.5Å; I320-F541 HydrophobicContact CG2-CE2 3.71Å; I320-F541 HydrophobicContact CG2-CZ 3.89Å; I320-F653 HydrophobicContact CD1-CE2 4.14Å; I320-F653 HydrophobicContact CG2-CE2 3.85Å; I320-F653 HydrophobicContact CG2-CZ 3.79Å
321	E	88.1	Confident	88.6	Confident	55 Å²	55	54.2 Å²	54.2	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-55.1	-44.7	173.6	-74.1	177.3	-173.3	0	0	111.5	I317 V319 V324 I325 F541	I317-E321 HydrophobicContact CG2-CG 4.32Å; I317-E321 WeakPolarHBondContact O-CG 3.36Å; I317-E321 PolarHBondContact O-N 3.36Å; V319-E321 PolarHBondContact O-N 3Å; E321-V324 PolarHBondContact O-N 3.42Å; E321-I325 WeakPolarHBondContact O-CB 3.19Å; E321-I325 WeakPolarHBondContact O-CD1 3.27Å; E321-I325 WeakPolarHBondContact O-CG1 3.46Å; E321-I325 PolarHBondContact O-N 2.96Å; E321-F541 HydrophobicContact CG-CE1 4.04Å; E321-F541 HydrophobicContact CG-CZ 3.81Å
322	N	86.5	Confident	88.7	Confident	89 Å²	89	50.2 Å²	50.2	48%	0.476	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-38.8	179.5	-73.7	-41	0	0	0	112.8	S318 V319 I320 I325 K326	S318-N322 PolarHBondContact O-N 3.17Å; S318-N322 PolarHBondContact O-ND2 3.46Å; V319-N322 WeakPolarHBondContact O-CB 3.38Å; V319-N322 PolarHBondContact O-N 3.13Å; V319-N322 VanDerWaalsContact O-N 3.09Å; I320-N322 VanDerWaalsContact C-N 3.29Å; I320-N322 PolarHBondContact O-N 2.98Å; N322-I325 PolarHBondContact O-N 3.02Å; N322-K326 VanDerWaalsContact O-CB 3.28Å; N322-K326 WeakPolarHBondContact O-CB 3.19Å; N322-K326 PolarHBondContact O-N 3.41Å
323	E	89.8	Confident	88.5	Confident	43 Å²	43	56.1 Å²	56.1	20%	0.201	30%	0.298	C	S	.	.	H	α-helix	trans	-66.7	-40.2	176.1	-69.9	-53.7	131.1	0	0	111.7	V319 I320 I325 K326 L327 F653	V319-E323 PolarHBondContact O-N 3.07Å; I320-E323 PolarHBondContact O-N 3.47Å; E323-I325 PolarHBondContact O-N 3.4Å; E323-K326 PolarHBondContact O-N 2.93Å; E323-K326 IonicContact OE2-NZ 2.64Å; E323-K326 PolarHBondContact OE2-NZ 3.43Å; E323-L327 WeakPolarHBondContact O-CB 3.47Å; E323-L327 PolarHBondContact O-N 3.32Å; E323-F653 HydrophobicContact CB-CD2 3.72Å; E323-F653 HydrophobicContact CB-CE2 4.26Å
324	V	91.1	Very high	88.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-44.4	172.7	174.9	0	0	0	0	110.7	I320 E321 K326 L327 I328 L530 L537 F653	I320-V324 WeakPolarHBondContact O-CG2 3.42Å; I320-V324 PolarHBondContact O-N 3.48Å; E321-V324 PolarHBondContact O-N 3.42Å; V324-K326 PolarHBondContact O-N 3.25Å; V324-L327 PolarHBondContact O-N 3.31Å; V324-I328 WeakPolarHBondContact O-CG1 3.34Å; V324-I328 PolarHBondContact O-N 2.97Å; V324-I328 VanDerWaalsContact O-N 3.13Å; V324-L530 HydrophobicContact CG1-CD2 3.82Å; V324-L537 HydrophobicContact CG2-CD2 3.72Å; V324-F653 HydrophobicContact CG2-CD1 4.2Å; V324-F653 HydrophobicContact CG2-CD2 4.39Å; V324-F653 HydrophobicContact CG2-CE1 3.89Å; V324-F653 HydrophobicContact CG2-CE2 4.09Å; V324-F653 HydrophobicContact CG2-CG 4.44Å; V324-F653 HydrophobicContact CG2-CZ 3.83Å
325	I	88.2	Confident	88.5	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.062	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-47.9	175.6	-71.5	162.5	0	0	0	110.7	E321 N322 E323 I328 I329 W335 A340	E321-I325 WeakPolarHBondContact O-CB 3.19Å; E321-I325 WeakPolarHBondContact O-CD1 3.27Å; E321-I325 WeakPolarHBondContact O-CG1 3.46Å; E321-I325 PolarHBondContact O-N 2.96Å; N322-I325 PolarHBondContact O-N 3.02Å; E323-I325 PolarHBondContact O-N 3.4Å; I325-I328 PolarHBondContact O-N 3.02Å; I325-I329 HydrophobicContact CG2-CD1 3.51Å; I325-I329 HydrophobicContact CG2-CG1 4.35Å; I325-I329 WeakPolarHBondContact O-CB 3.47Å; I325-I329 VanDerWaalsContact O-CG1 3.23Å; I325-I329 WeakPolarHBondContact O-CG1 3.22Å; I325-I329 PolarHBondContact O-N 2.93Å; I325-W335 HydrophobicContact CB-CE3 4.23Å; I325-W335 HydrophobicContact CB-CZ3 4.22Å; I325-W335 HydrophobicContact CG1-CE3 3.8Å; I325-W335 HydrophobicContact CG1-CZ3 3.45Å; I325-W335 VanDerWaalsContact CG1-CZ3 3.45Å; I325-W335 HydrophobicContact CG2-CE3 4.47Å; I325-A340 HydrophobicContact CD1-CB 3.87Å; I325-A340 HydrophobicContact CG1-CB 4.45Å; I325-A340 HydrophobicContact CG2-CB 3.81Å
326	K	88.4	Confident	88.2	Confident	87 Å²	87	46.4 Å²	46.4	38%	0.378	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-41.9	180	-178.9	-168.2	171.8	-147.7	0	111.7	N322 E323 V324 I329 T330 D651	N322-K326 VanDerWaalsContact O-CB 3.28Å; N322-K326 WeakPolarHBondContact O-CB 3.19Å; N322-K326 PolarHBondContact O-N 3.41Å; E323-K326 PolarHBondContact O-N 2.93Å; E323-K326 IonicContact OE2-NZ 2.64Å; E323-K326 PolarHBondContact OE2-NZ 3.43Å; V324-K326 PolarHBondContact O-N 3.25Å; K326-I329 PolarHBondContact O-N 3.43Å; K326-T330 WeakPolarHBondContact O-CB 3.4Å; K326-T330 PolarHBondContact O-N 2.91Å; K326-T330 PolarHBondContact O-OG1 2.88Å; K326-D651 IonicContact NZ-OD2 2.72Å; K326-D651 PolarHBondContact NZ-OD2 3.36Å
327	L	92.7	Very high	87.9	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-56.6	-53.6	175	177.2	65.1	0	0	0	110.9	E323 V324 I329 T330 L331 F529 I533 F653 M654	E323-L327 WeakPolarHBondContact O-CB 3.47Å; E323-L327 PolarHBondContact O-N 3.32Å; V324-L327 PolarHBondContact O-N 3.31Å; L327-I329 PolarHBondContact O-N 3.36Å; L327-T330 PolarHBondContact O-N 2.97Å; L327-L331 HydrophobicContact CD1-CD1 3.62Å; L327-L331 HydrophobicContact CD1-CG 4.08Å; L327-L331 HydrophobicContact CG-CD1 4.08Å; L327-L331 WeakPolarHBondContact O-CG 3.47Å; L327-L331 PolarHBondContact O-N 3Å; L327-F529 HydrophobicContact CD2-CE1 3.71Å; L327-F529 HydrophobicContact CD2-CZ 3.98Å; L327-F529 HydrophobicContact CG-CE1 4.21Å; L327-F529 HydrophobicContact CG-CZ 4.36Å; L327-I533 HydrophobicContact CD2-CD1 4.42Å; L327-F653 HydrophobicContact CB-CB 4.45Å; L327-F653 HydrophobicContact CD2-CB 3.96Å; L327-M654 HydrophobicContact CD1-CB 4.43Å; L327-M654 HydrophobicContact CD1-CE 3.99Å; L327-M654 HydrophobicContact CD1-SD 3.79Å
328	I	91.5	Very high	87.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-41.5	-178	-58.6	-61.2	0	0	0	111.2	V324 I325 T330 F332 W335 T526 F529 L530	V324-I328 WeakPolarHBondContact O-CG1 3.34Å; V324-I328 PolarHBondContact O-N 2.97Å; V324-I328 VanDerWaalsContact O-N 3.13Å; I325-I328 PolarHBondContact O-N 3.02Å; I328-T330 VanDerWaalsContact C-N 3.3Å; I328-T330 PolarHBondContact O-N 2.79Å; I328-F332 HydrophobicContact CD1-CD2 4.27Å; I328-F332 HydrophobicContact CD1-CE2 4.12Å; I328-F332 HydrophobicContact CG2-CD2 3.9Å; I328-F332 WeakPolarHBondContact O-CB 3.36Å; I328-F332 PolarHBondContact O-N 3.25Å; I328-W335 HydrophobicContact CB-CB 4.2Å; I328-W335 HydrophobicContact CB-CD2 4.2Å; I328-W335 HydrophobicContact CB-CE3 4.27Å; I328-W335 HydrophobicContact CB-CG 4.18Å; I328-W335 HydrophobicContact CG1-CD2 4.43Å; I328-W335 HydrophobicContact CG1-CE3 4.42Å; I328-W335 HydrophobicContact CG2-CB 3.58Å; I328-W335 HydrophobicContact CG2-CD2 3.98Å; I328-W335 HydrophobicContact CG2-CG 3.52Å; I328-T526 HydrophobicContact CG2-CG2 3.59Å; I328-F529 HydrophobicContact CD1-CD1 3.41Å; I328-F529 VanDerWaalsContact CD1-CD1 3.41Å; I328-F529 HydrophobicContact CD1-CE1 3.72Å; I328-F529 HydrophobicContact CD1-CG 4.42Å; I328-L530 HydrophobicContact CD1-CD2 3.83Å; I328-L530 HydrophobicContact CD1-CG 3.96Å; I328-L530 HydrophobicContact CG1-CD2 4.18Å
329	I	87.5	Confident	86.6	Confident	40 Å²	40	34.4 Å²	34.4	21%	0.205	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-42.4	177.1	-70.1	168.8	0	0	0	111.1	I325 K326 L327 K333 G334 W335 I344	I325-I329 HydrophobicContact CG2-CD1 3.51Å; I325-I329 HydrophobicContact CG2-CG1 4.35Å; I325-I329 WeakPolarHBondContact O-CB 3.47Å; I325-I329 VanDerWaalsContact O-CG1 3.23Å; I325-I329 WeakPolarHBondContact O-CG1 3.22Å; I325-I329 PolarHBondContact O-N 2.93Å; K326-I329 PolarHBondContact O-N 3.43Å; L327-I329 PolarHBondContact O-N 3.36Å; I329-K333 CarbonylContact O-C 3.53Å; I329-K333 WeakPolarHBondContact O-CA 3.29Å; I329-K333 PolarHBondContact O-N 2.99Å; I329-G334 PolarHBondContact O-N 2.97Å; I329-W335 HydrophobicContact CG1-CB 4.3Å; I329-I344 HydrophobicContact CB-CD1 4.47Å; I329-I344 HydrophobicContact CD1-CD1 3.54Å; I329-I344 HydrophobicContact CD1-CG1 3.74Å; I329-I344 HydrophobicContact CG1-CD1 3.6Å; I329-I344 HydrophobicContact CG1-CG1 4.33Å; I329-I344 HydrophobicContact CG2-CD1 4.07Å
330	T	89.3	Confident	85.5	Confident	83 Å²	83	32.1 Å²	32.1	51%	0.509	16%	0.16	S	C	.	.	H	α-helix	trans	-67.8	-46.8	-177.6	-56.9	0	0	0	0	111.3	K326 L327 I328 M654	K326-T330 WeakPolarHBondContact O-CB 3.4Å; K326-T330 PolarHBondContact O-N 2.91Å; K326-T330 PolarHBondContact O-OG1 2.88Å; L327-T330 PolarHBondContact O-N 2.97Å; I328-T330 VanDerWaalsContact C-N 3.3Å; I328-T330 PolarHBondContact O-N 2.79Å; T330-M654 HydrophobicContact CG2-CE 3.57Å
331	L	92.6	Very high	84.1	Confident	28 Å²	28	32.4 Å²	32.4	15%	0.147	16%	0.161	C	C	.	.	H	α-helix	trans	-75.4	-41.7	-177	-65	-179.7	0	0	0	113	L327 P366 F529 M654 Y657	L327-L331 HydrophobicContact CD1-CD1 3.62Å; L327-L331 HydrophobicContact CD1-CG 4.08Å; L327-L331 HydrophobicContact CG-CD1 4.08Å; L327-L331 WeakPolarHBondContact O-CG 3.47Å; L327-L331 PolarHBondContact O-N 3Å; L331-P366 HydrophobicContact CB-CB 4.06Å; L331-P366 HydrophobicContact CB-CG 4.28Å; L331-P366 HydrophobicContact CD2-CB 4.47Å; L331-P366 WeakPolarHBondContact O-CG 3.32Å; L331-F529 HydrophobicContact CD1-CE1 4.18Å; L331-F529 HydrophobicContact CD1-CE2 3.6Å; L331-F529 HydrophobicContact CD1-CZ 3.34Å; L331-M654 HydrophobicContact CD2-SD 4.25Å; L331-Y657 HydrophobicContact CD1-CD1 4.04Å; L331-Y657 HydrophobicContact CD1-CD2 3.85Å; L331-Y657 HydrophobicContact CD1-CE1 4.23Å; L331-Y657 HydrophobicContact CD1-CE2 4.05Å; L331-Y657 HydrophobicContact CD1-CG 3.83Å; L331-Y657 HydrophobicContact CD2-CD1 3.78Å; L331-Y657 HydrophobicContact CD2-CE1 3.47Å; L331-Y657 VanDerWaalsContact CD2-CE1 3.47Å; L331-Y657 HydrophobicContact CD2-CG 4.43Å
332	F	91.3	Very high	82.7	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-107.6	17.2	-171.7	-57.8	-77.8	0	0	0	113.3	I328 G334 L352 L363 P366 H522 T525 T526 F529	I328-F332 HydrophobicContact CD1-CD2 4.27Å; I328-F332 HydrophobicContact CD1-CE2 4.12Å; I328-F332 HydrophobicContact CG2-CD2 3.9Å; I328-F332 WeakPolarHBondContact O-CB 3.36Å; I328-F332 PolarHBondContact O-N 3.25Å; F332-G334 PolarHBondContact O-N 3.28Å; F332-G334 VanDerWaalsContact O-N 3.08Å; F332-L352 WeakPolarHBondContact O-CD1 3.07Å; F332-L363 HydrophobicContact CB-CD1 4.45Å; F332-L363 HydrophobicContact CD1-CD1 3.96Å; F332-L363 WeakPolarHBondContact CD1-O 3.17Å; F332-L363 WeakPolarHBondContact CE1-O 3.26Å; F332-P366 HydrophobicContact CD1-CG 4.4Å; F332-P366 HydrophobicContact CE1-CB 3.98Å; F332-P366 HydrophobicContact CE1-CG 4.14Å; F332-P366 HydrophobicContact CZ-CB 4.02Å; F332-H522 PolarHBondContact O-NE2 3.15Å; F332-H522 VanDerWaalsContact O-NE2 3.07Å; F332-T525 HydrophobicContact CD1-CG2 4.06Å; F332-T525 HydrophobicContact CE1-CG2 3.55Å; F332-T525 HydrophobicContact CZ-CG2 4.36Å; F332-T526 HydrophobicContact CB-CG2 4.06Å; F332-T526 HydrophobicContact CD1-CG2 4.46Å; F332-T526 HydrophobicContact CD2-CG2 3.9Å; F332-T526 HydrophobicContact CE2-CG2 4.48Å; F332-T526 HydrophobicContact CG-CG2 3.87Å; F332-F529 HydrophobicContact CE2-CB 3.87Å; F332-F529 AromaticContact CE2-CD1 3.89Å; F332-F529 HydrophobicContact CE2-CD1 3.89Å; F332-F529 AromaticContact CE2-CD2 3.76Å; F332-F529 HydrophobicContact CE2-CD2 3.76Å; F332-F529 HydrophobicContact CE2-CE1 4.39Å; F332-F529 HydrophobicContact CE2-CE2 4.26Å; F332-F529 AromaticContact CE2-CG 3.55Å; F332-F529 HydrophobicContact CE2-CG 3.55Å; F332-F529 HydrophobicContact CZ-CB 3.66Å; F332-F529 HydrophobicContact CZ-CD1 4.39Å; F332-F529 AromaticContact CZ-CD2 3.52Å; F332-F529 HydrophobicContact CZ-CD2 3.52Å; F332-F529 HydrophobicContact CZ-CE2 4.27Å; F332-F529 AromaticContact CZ-CG 3.59Å; F332-F529 HydrophobicContact CZ-CG 3.59Å
333	K	83.7	Confident	81.4	Confident	135 Å²	135	39.2 Å²	39.2	59%	0.587	19%	0.191	S	C	*	.	S	Bend	trans	54.8	24.7	-179.4	-59.6	179.4	-178.4	176.3	0	113.5	I329 V348 L352	I329-K333 CarbonylContact O-C 3.53Å; I329-K333 WeakPolarHBondContact O-CA 3.29Å; I329-K333 PolarHBondContact O-N 2.99Å; K333-V348 WeakPolarHBondContact O-CG1 3.31Å; K333-L352 HydrophobicContact CB-CD1 3.71Å; K333-L352 WeakPolarHBondContact O-CD1 3.47Å
334	G	81.7	Confident	80.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	143	168.9	-179.2	0	0	0	0	0	112.1	I329 F332 H522	I329-G334 PolarHBondContact O-N 2.97Å; F332-G334 PolarHBondContact O-N 3.28Å; F332-G334 VanDerWaalsContact O-N 3.08Å; G334-H522 PolarHBondContact O-CE1 3.3Å; G334-H522 PolarHBondContact O-NE2 2.98Å; G334-H522 VanDerWaalsContact O-NE2 3.07Å
335	W	84.8	Confident	78.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.			trans	-132.9	97	175.9	-173.3	19.3	0	0	0	111	I325 I328 I329 L337 T338 Y341 L425 L530	I325-W335 HydrophobicContact CB-CE3 4.23Å; I325-W335 HydrophobicContact CB-CZ3 4.22Å; I325-W335 HydrophobicContact CG1-CE3 3.8Å; I325-W335 HydrophobicContact CG1-CZ3 3.45Å; I325-W335 VanDerWaalsContact CG1-CZ3 3.45Å; I325-W335 HydrophobicContact CG2-CE3 4.47Å; I328-W335 HydrophobicContact CB-CB 4.2Å; I328-W335 HydrophobicContact CB-CD2 4.2Å; I328-W335 HydrophobicContact CB-CE3 4.27Å; I328-W335 HydrophobicContact CB-CG 4.18Å; I328-W335 HydrophobicContact CG1-CD2 4.43Å; I328-W335 HydrophobicContact CG1-CE3 4.42Å; I328-W335 HydrophobicContact CG2-CB 3.58Å; I328-W335 HydrophobicContact CG2-CD2 3.98Å; I328-W335 HydrophobicContact CG2-CG 3.52Å; I329-W335 HydrophobicContact CG1-CB 4.3Å; W335-L337 PolarHBondContact O-N 2.75Å; W335-T338 HydrophobicContact CB-CG2 3.62Å; W335-T338 HydrophobicContact CD2-CG2 3.51Å; W335-T338 HydrophobicContact CE3-CG2 3.4Å; W335-T338 HydrophobicContact CG-CG2 3.63Å; W335-T338 HydrophobicContact CZ3-CG2 4.28Å; W335-T338 VanDerWaalsContact O-CG2 3.27Å; W335-T338 WeakPolarHBondContact O-CG2 3.32Å; W335-T338 PolarHBondContact O-N 3.5Å; W335-Y341 WeakPolarHBondContact O-CB 3.37Å; W335-Y341 VanDerWaalsContact O-CD2 3.22Å; W335-Y341 WeakPolarHBondContact O-CD2 3.5Å; W335-L425 HydrophobicContact CH2-CB 4.04Å; W335-L425 HydrophobicContact CH2-CD1 4.5Å; W335-L530 HydrophobicContact CH2-CD1 4.48Å; W335-L530 HydrophobicContact CZ2-CD1 3.9Å
336	Y	80.5	Confident	77.2	Confident	29 Å²	29	48.9 Å²	48.9	11%	0.114	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.5	-170.6	-178.4	-109.2	0	0	0	114.7	Y341 L353 I434 K519	Y336-Y341 HydrophobicContact CD2-CE1 4.37Å; Y336-L353 HydrophobicContact CD2-CD1 4.09Å; Y336-L353 HydrophobicContact CE2-CD1 4.36Å; Y336-I434 HydrophobicContact CD1-CD1 4.08Å; Y336-I434 HydrophobicContact CD1-CG2 4.45Å; Y336-I434 HydrophobicContact CE1-CD1 3.27Å; Y336-I434 HydrophobicContact CE1-CG1 3.88Å; Y336-I434 HydrophobicContact CE1-CG2 4.29Å; Y336-K519 HydrophobicContact CD1-CB 3.76Å; Y336-K519 HydrophobicContact CD1-CD 4.49Å; Y336-K519 HydrophobicContact CD1-CG 3.92Å; Y336-K519 HydrophobicContact CD2-CG 4.16Å; Y336-K519 HydrophobicContact CE1-CB 3.55Å; Y336-K519 HydrophobicContact CE1-CD 3.68Å; Y336-K519 HydrophobicContact CE1-CG 3.59Å; Y336-K519 HydrophobicContact CE2-CD 3.84Å; Y336-K519 HydrophobicContact CE2-CG 3.88Å; Y336-K519 HydrophobicContact CG-CB 4.42Å; Y336-K519 HydrophobicContact CG-CG 4.2Å; Y336-K519 VanDerWaalsContact CZ-CE 3.47Å; Y336-K519 VanDerWaalsContact OH-CD 3.27Å; Y336-K519 WeakPolarHBondContact OH-CD 3.35Å; Y336-K519 VanDerWaalsContact OH-CE 3.27Å; Y336-K519 WeakPolarHBondContact OH-CE 3.5Å; Y336-K519 PolarHBondContact OH-NZ 3.29Å; Y336-K519 VanDerWaalsContact OH-NZ 3.12Å
337	L	83.6	Confident	75.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-25.4	-177.8	-68	174.1	0	0	0	113.5	W335 L422 L428 K431 I434 I435 A523 I527	W335-L337 PolarHBondContact O-N 2.75Å; L337-L422 HydrophobicContact CD1-CD1 4.13Å; L337-L428 HydrophobicContact CB-CD2 3.65Å; L337-L428 WeakPolarHBondContact O-CD2 3.4Å; L337-L428 VanDerWaalsContact O-CG 3.3Å; L337-L428 WeakPolarHBondContact O-CG 3.49Å; L337-K431 WeakPolarHBondContact O-CG 3.4Å; L337-I434 HydrophobicContact CD2-CB 4.34Å; L337-I434 HydrophobicContact CD2-CG2 3.8Å; L337-I435 HydrophobicContact CD2-CG1 4.46Å; L337-A523 HydrophobicContact CD1-CB 3.87Å; L337-A523 HydrophobicContact CD2-CB 3.94Å; L337-A523 HydrophobicContact CG-CB 3.87Å; L337-I527 HydrophobicContact CD1-CD1 3.9Å; L337-I527 HydrophobicContact CD1-CG1 3.94Å
338	T	78.8	Confident	74.3	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	26%	0.263	C	S	.	.	S	Bend	trans	-86.8	148.4	-179.6	-179.9	0	0	0	0	112.1	W335 A340 Y341	W335-T338 HydrophobicContact CB-CG2 3.62Å; W335-T338 HydrophobicContact CD2-CG2 3.51Å; W335-T338 HydrophobicContact CE3-CG2 3.4Å; W335-T338 HydrophobicContact CG-CG2 3.63Å; W335-T338 HydrophobicContact CZ3-CG2 4.28Å; W335-T338 VanDerWaalsContact O-CG2 3.27Å; W335-T338 WeakPolarHBondContact O-CG2 3.32Å; W335-T338 PolarHBondContact O-N 3.5Å; T338-A340 HydrophobicContact CG2-CB 4.06Å; T338-A340 PolarHBondContact O-N 2.9Å; T338-A340 WeakPolarHBondContact OG1-CB 3.49Å; T338-A340 PolarHBondContact OG1-N 2.85Å; T338-A340 VanDerWaalsContact OG1-N 3.09Å; T338-Y341 WeakPolarHBondContact O-CB 3.47Å; T338-Y341 PolarHBondContact O-N 3.32Å
339	N	70.2	Confident	72.9	Confident	46 Å²	46	53.8 Å²	53.8	25%	0.246	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-70.9	-21.2	168.9	-68.7	-7.6	0	0	0	112	Y341 D342 P427 K429	N339-Y341 PolarHBondContact O-N 2.74Å; N339-Y341 VanDerWaalsContact O-N 3.12Å; N339-D342 PolarHBondContact O-N 3.42Å; N339-D342 VanDerWaalsContact O-N 3.07Å; N339-P427 HydrophobicContact CB-CB 4.21Å; N339-P427 HydrophobicContact CB-CG 4.23Å; N339-P427 WeakPolarHBondContact CB-O 3.29Å; N339-P427 PolarHBondContact N-O 2.91Å; N339-K429 PolarHBondContact ND2-N 2.91Å; N339-K429 PolarHBondContact OD1-O 3.25Å
340	A	65.5	Low	71.7	Confident	16 Å²	16	54.7 Å²	54.7	13%	0.132	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-62.5	-16.3	172.6	0	0	0	0	0	112.3	I325 T338 D342 K343	I325-A340 HydrophobicContact CD1-CB 3.87Å; I325-A340 HydrophobicContact CG1-CB 4.45Å; I325-A340 HydrophobicContact CG2-CB 3.81Å; T338-A340 HydrophobicContact CG2-CB 4.06Å; T338-A340 PolarHBondContact O-N 2.9Å; T338-A340 WeakPolarHBondContact OG1-CB 3.49Å; T338-A340 PolarHBondContact OG1-N 2.85Å; T338-A340 VanDerWaalsContact OG1-N 3.09Å; A340-D342 PolarHBondContact O-N 3.47Å; A340-K343 WeakPolarHBondContact O-CB 3.48Å; A340-K343 PolarHBondContact O-N 3.15Å
341	Y	59.4	Low	70.4	Confident	10 Å²	10	54.4 Å²	54.4	4%	0.039	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-53.8	-31.7	170.3	-170.1	-106.4	0	0	0	112.8	W335 Y336 T338 N339 K343 I344 K349 L352	W335-Y341 WeakPolarHBondContact O-CB 3.37Å; W335-Y341 VanDerWaalsContact O-CD2 3.22Å; W335-Y341 WeakPolarHBondContact O-CD2 3.5Å; Y336-Y341 HydrophobicContact CD2-CE1 4.37Å; T338-Y341 WeakPolarHBondContact O-CB 3.47Å; T338-Y341 PolarHBondContact O-N 3.32Å; N339-Y341 PolarHBondContact O-N 2.74Å; N339-Y341 VanDerWaalsContact O-N 3.12Å; Y341-K343 PolarHBondContact O-N 3.19Å; Y341-I344 HydrophobicContact CD2-CD1 3.52Å; Y341-I344 HydrophobicContact CE2-CD1 4.02Å; Y341-I344 HydrophobicContact CG-CD1 4.28Å; Y341-I344 WeakPolarHBondContact O-CB 3.47Å; Y341-I344 WeakPolarHBondContact O-CG1 3.4Å; Y341-I344 PolarHBondContact O-N 2.97Å; Y341-K349 HydrophobicContact CD1-CD 4.31Å; Y341-K349 HydrophobicContact CD1-CG 4.49Å; Y341-K349 HydrophobicContact CE1-CB 4.47Å; Y341-K349 HydrophobicContact CE1-CD 3.94Å; Y341-K349 HydrophobicContact CE1-CG 3.66Å; Y341-K349 PolarHBondContact OH-O 3.21Å; Y341-L352 HydrophobicContact CE2-CD2 3.72Å; Y341-L352 WeakPolarHBondContact OH-CD2 3.39Å
342	D	58.9	Low	69.2	Low	103 Å²	103	53.9 Å²	53.9	55%	0.551	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-72.2	-12	177.6	-67	-37.1	0	0	0	113.3	N339 A340 K349	N339-D342 PolarHBondContact O-N 3.42Å; N339-D342 VanDerWaalsContact O-N 3.07Å; A340-D342 PolarHBondContact O-N 3.47Å; D342-K349 IonicContact OD1-NZ 2.7Å; D342-K349 PolarHBondContact OD1-NZ 2.9Å
343	K	60.7	Low	68.3	Low	184 Å²	184	54.4 Å²	54.4	80%	0.8	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-91.9	-9.4	174.1	-59.1	-176.9	178.4	178.6	0	113.5	A340 Y341	A340-K343 WeakPolarHBondContact O-CB 3.48Å; A340-K343 PolarHBondContact O-N 3.15Å; Y341-K343 PolarHBondContact O-N 3.19Å
344	I	61.7	Low	67.8	Low	16 Å²	16	53.9 Å²	53.9	8%	0.082	27%	0.274	C	S	.	.	S	Bend	trans	-70.8	143.6	179.6	-56.8	179.2	0	0	0	109.2	I329 Y341 F346 V348	I329-I344 HydrophobicContact CB-CD1 4.47Å; I329-I344 HydrophobicContact CD1-CD1 3.54Å; I329-I344 HydrophobicContact CD1-CG1 3.74Å; I329-I344 HydrophobicContact CG1-CD1 3.6Å; I329-I344 HydrophobicContact CG1-CG1 4.33Å; I329-I344 HydrophobicContact CG2-CD1 4.07Å; Y341-I344 HydrophobicContact CD2-CD1 3.52Å; Y341-I344 HydrophobicContact CE2-CD1 4.02Å; Y341-I344 HydrophobicContact CG-CD1 4.28Å; Y341-I344 WeakPolarHBondContact O-CB 3.47Å; Y341-I344 WeakPolarHBondContact O-CG1 3.4Å; Y341-I344 PolarHBondContact O-N 2.97Å; I344-F346 PolarHBondContact O-N 3.05Å; I344-V348 HydrophobicContact CG2-CB 3.7Å; I344-V348 HydrophobicContact CG2-CG1 3.74Å; I344-V348 HydrophobicContact CG2-CG2 4.34Å
345	P	60.5	Low	67.5	Low	90 Å²	90	59.1 Å²	59.1	58%	0.584	30%	0.302	S	S	*	.			trans	-47.3	131.5	175.3	-29.6	35	0	0	0	112.8	A347 V348 K349	P345-A347 PolarHBondContact O-N 2.9Å; P345-V348 HydrophobicContact CB-CG2 4.36Å; P345-V348 WeakPolarHBondContact O-CB 3.12Å; P345-V348 PolarHBondContact O-N 2.94Å; P345-K349 PolarHBondContact O-N 2.96Å
346	F	58.2	Low	67.1	Low	152 Å²	152	67.7 Å²	67.7	67%	0.667	34%	0.342	S	S	*	.	H	α-helix	trans	-50.8	-35.1	-174.7	-179.4	-104.3	0	0	0	113.8	I344 K349 N350	I344-F346 PolarHBondContact O-N 3.05Å; F346-K349 PolarHBondContact O-N 3.2Å; F346-N350 WeakPolarHBondContact CE1-ND2 3.13Å; F346-N350 WeakPolarHBondContact CZ-ND2 3.32Å; F346-N350 WeakPolarHBondContact O-CB 3.32Å; F346-N350 PolarHBondContact O-N 3.32Å
347	A	56.2	Low	67.1	Low	62 Å²	62	70 Å²	70	51%	0.512	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-41.1	176.9	0	0	0	0	0	112.9	P345 N351	P345-A347 PolarHBondContact O-N 2.9Å; A347-N351 WeakPolarHBondContact O-CB 3.12Å; A347-N351 VanDerWaalsContact O-CG 3.25Å; A347-N351 PolarHBondContact O-N 3.32Å; A347-N351 VanDerWaalsContact O-N 3.14Å; A347-N351 PolarHBondContact O-ND2 3.15Å
348	V	63.3	Low	67.2	Low	55 Å²	55	71.1 Å²	71.1	33%	0.333	36%	0.364	S	S	.	.	H	α-helix	trans	-68.2	-44.1	177.3	179.5	0	0	0	0	109.8	K333 I344 P345 N350 N351 L352	K333-V348 WeakPolarHBondContact O-CG1 3.31Å; I344-V348 HydrophobicContact CG2-CB 3.7Å; I344-V348 HydrophobicContact CG2-CG1 3.74Å; I344-V348 HydrophobicContact CG2-CG2 4.34Å; P345-V348 HydrophobicContact CB-CG2 4.36Å; P345-V348 WeakPolarHBondContact O-CB 3.12Å; P345-V348 PolarHBondContact O-N 2.94Å; V348-N350 VanDerWaalsContact C-N 3.33Å; V348-N350 PolarHBondContact O-N 2.86Å; V348-N351 PolarHBondContact O-N 2.86Å; V348-L352 WeakPolarHBondContact O-CB 3.46Å; V348-L352 PolarHBondContact O-N 2.93Å
349	K	63.2	Low	67.7	Low	76 Å²	76	73.4 Å²	73.4	33%	0.33	38%	0.38	S	S	.	.	H	α-helix	trans	-57.1	-44.2	176.7	-178.7	165.6	-179.9	176.5	0	112.3	Y341 D342 P345 F346	Y341-K349 HydrophobicContact CD1-CD 4.31Å; Y341-K349 HydrophobicContact CD1-CG 4.49Å; Y341-K349 HydrophobicContact CE1-CB 4.47Å; Y341-K349 HydrophobicContact CE1-CD 3.94Å; Y341-K349 HydrophobicContact CE1-CG 3.66Å; Y341-K349 PolarHBondContact OH-O 3.21Å; D342-K349 IonicContact OD1-NZ 2.7Å; D342-K349 PolarHBondContact OD1-NZ 2.9Å; P345-K349 PolarHBondContact O-N 2.96Å; F346-K349 PolarHBondContact O-N 3.2Å
350	N	61.8	Low	68.9	Low	58 Å²	58	71.4 Å²	71.4	31%	0.31	37%	0.37	S	S	.	.	H	α-helix	trans	-73.5	-27.5	-179.5	-85.7	-8.6	0	0	0	114.1	F346 V348 R354	F346-N350 WeakPolarHBondContact CE1-ND2 3.13Å; F346-N350 WeakPolarHBondContact CZ-ND2 3.32Å; F346-N350 WeakPolarHBondContact O-CB 3.32Å; F346-N350 PolarHBondContact O-N 3.32Å; V348-N350 VanDerWaalsContact C-N 3.33Å; V348-N350 PolarHBondContact O-N 2.86Å; N350-R354 WeakPolarHBondContact O-CD 3.34Å; N350-R354 WeakPolarHBondContact O-CG 3.17Å; N350-R354 PolarHBondContact O-NE 2.84Å
351	N	62.3	Low	70.3	Confident	78 Å²	78	71 Å²	71	42%	0.417	37%	0.366	S	S	.	.	H	α-helix	trans	-96.1	-18.1	-175.5	-67.8	-13.8	0	0	0	113.2	A347 V348 L353 T357	A347-N351 WeakPolarHBondContact O-CB 3.12Å; A347-N351 VanDerWaalsContact O-CG 3.25Å; A347-N351 PolarHBondContact O-N 3.32Å; A347-N351 VanDerWaalsContact O-N 3.14Å; A347-N351 PolarHBondContact O-ND2 3.15Å; V348-N351 PolarHBondContact O-N 2.86Å; N351-L353 VanDerWaalsContact C-N 3.29Å; N351-L353 PolarHBondContact O-N 3.46Å; N351-T357 PolarHBondContact O-OG1 2.93Å
352	L	67.3	Low	71.9	Confident	17 Å²	17	73.3 Å²	73.3	9%	0.089	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-38.5	-174.9	-176.7	60.1	0	0	0	113.3	F332 K333 Y341 V348 F358	F332-L352 WeakPolarHBondContact O-CD1 3.07Å; K333-L352 HydrophobicContact CB-CD1 3.71Å; K333-L352 WeakPolarHBondContact O-CD1 3.47Å; Y341-L352 HydrophobicContact CE2-CD2 3.72Å; Y341-L352 WeakPolarHBondContact OH-CD2 3.39Å; V348-L352 WeakPolarHBondContact O-CB 3.46Å; V348-L352 PolarHBondContact O-N 2.93Å; L352-F358 WeakPolarHBondContact O-CD2 3.46Å
353	L	71.7	Confident	73.6	Confident	15 Å²	15	68.9 Å²	68.9	8%	0.079	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	9.6	-169.4	-60.2	167.6	0	0	0	113.6	Y336 N351 F358 R518 K519	Y336-L353 HydrophobicContact CD2-CD1 4.09Å; Y336-L353 HydrophobicContact CE2-CD1 4.36Å; N351-L353 VanDerWaalsContact C-N 3.29Å; N351-L353 PolarHBondContact O-N 3.46Å; L353-F358 HydrophobicContact CD2-CD2 4.29Å; L353-F358 HydrophobicContact CD2-CE2 4.21Å; L353-R518 HydrophobicContact CD2-CB 4.2Å; L353-R518 PolarHBondContact O-NE 3.21Å; L353-R518 PolarHBondContact O-NH2 3.33Å; L353-K519 HydrophobicContact CD1-CD 4.23Å; L353-K519 HydrophobicContact CD1-CG 3.41Å; L353-K519 VanDerWaalsContact CD1-CG 3.41Å; L353-K519 HydrophobicContact CD2-CG 4.22Å; L353-K519 HydrophobicContact CG-CG 4.4Å
354	R	74.2	Confident	75.3	Confident	123 Å²	123	60.2 Å²	60.2	46%	0.464	32%	0.322	S	S	.	.			trans	-68.5	137.7	172.8	-85.9	175.6	-165.5	-148.9	0.7	109	N350 E356 T357 F358	N350-R354 WeakPolarHBondContact O-CD 3.34Å; N350-R354 WeakPolarHBondContact O-CG 3.17Å; N350-R354 PolarHBondContact O-NE 2.84Å; R354-E356 VanDerWaalsContact C-N 3.26Å; R354-E356 PolarHBondContact O-N 3.39Å; R354-T357 WeakPolarHBondContact CB-OG1 3.48Å; R354-T357 PolarHBondContact O-N 3.24Å; R354-T357 VanDerWaalsContact O-N 3.13Å; R354-T357 PolarHBondContact O-OG1 3.11Å; R354-F358 VanDerWaalsContact O-CB 3.28Å; R354-F358 WeakPolarHBondContact O-CB 3.45Å; R354-F358 PolarHBondContact O-N 2.96Å
355	D	74.4	Confident	77	Confident	110 Å²	110	61.3 Å²	61.3	59%	0.588	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-44.3	-177.8	-160.8	39.9	0	0	0	111.8	T357 R518	D355-T357 PolarHBondContact O-N 3Å; D355-R518 IonicContact OD1-CZ 3.03Å; D355-R518 IonicContact OD1-NH1 3.74Å; D355-R518 PolarHBondContact OD1-NH1 3.26Å; D355-R518 IonicContact OD1-NH2 2.68Å
356	E	77.4	Confident	78.7	Confident	181 Å²	181	57.6 Å²	57.6	85%	0.846	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.3	-178.5	-61	170.1	-169.9	0	0	114.3	R354	R354-E356 VanDerWaalsContact C-N 3.26Å; R354-E356 PolarHBondContact O-N 3.39Å
357	T	80.1	Confident	80.6	Confident	76 Å²	76	50.5 Å²	50.5	47%	0.466	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-13.4	-173.1	53.4	0	0	0	0	113.6	N351 R354 D355 S359	N351-T357 PolarHBondContact O-OG1 2.93Å; R354-T357 WeakPolarHBondContact CB-OG1 3.48Å; R354-T357 PolarHBondContact O-N 3.24Å; R354-T357 VanDerWaalsContact O-N 3.13Å; R354-T357 PolarHBondContact O-OG1 3.11Å; D355-T357 PolarHBondContact O-N 3Å; T357-S359 PolarHBondContact O-N 3.42Å
358	F	85	Confident	82.6	Confident	24 Å²	24	47.5 Å²	47.5	11%	0.105	25%	0.248	C	C	.	.			trans	-77.3	113.7	178.8	-174.9	-90.1	0	0	0	110.1	L352 L353 R354 L363 M512 R518 L521	L352-F358 WeakPolarHBondContact O-CD2 3.46Å; L353-F358 HydrophobicContact CD2-CD2 4.29Å; L353-F358 HydrophobicContact CD2-CE2 4.21Å; R354-F358 VanDerWaalsContact O-CB 3.28Å; R354-F358 WeakPolarHBondContact O-CB 3.45Å; R354-F358 PolarHBondContact O-N 2.96Å; F358-L363 HydrophobicContact CE2-CD2 4.08Å; F358-L363 HydrophobicContact CZ-CD2 3.62Å; F358-M512 HydrophobicContact CD1-SD 4.16Å; F358-M512 HydrophobicContact CE1-CG 4.28Å; F358-M512 HydrophobicContact CE1-SD 4.01Å; F358-R518 HydrophobicContact CD1-CG 4.02Å; F358-R518 HydrophobicContact CD2-CB 4.41Å; F358-R518 HydrophobicContact CE1-CB 4.45Å; F358-R518 HydrophobicContact CE1-CG 4.1Å; F358-R518 HydrophobicContact CE2-CB 4.25Å; F358-R518 HydrophobicContact CG-CG 4.27Å; F358-R518 HydrophobicContact CZ-CB 4.25Å; F358-R518 HydrophobicContact CZ-CG 4.4Å; F358-L521 HydrophobicContact CZ-CB 4.4Å
359	S	90.6	Very high	84.2	Confident	49 Å²	49	45.4 Å²	45.4	34%	0.343	24%	0.235	S	C	.	.			trans	-113.8	118.1	175.7	166.7	0	0	0	0	109.4	T357 T361 S362 L363	T357-S359 PolarHBondContact O-N 3.42Å; S359-T361 VanDerWaalsContact C-N 3.31Å; S359-T361 PolarHBondContact O-N 2.9Å; S359-S362 WeakPolarHBondContact CB-OG 3.45Å; S359-S362 PolarHBondContact O-N 2.72Å; S359-S362 PolarHBondContact OG-N 3.19Å; S359-S362 VanDerWaalsContact OG-N 3.15Å; S359-S362 PolarHBondContact OG-OG 2.91Å; S359-L363 PolarHBondContact O-N 3.48Å
360	L	93.6	Very high	85.7	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-38.3	176	-172.3	62.9	0	0	0	111.4	S362 L363 L364 L376 L469 I470 H508 M512 L521	L360-S362 VanDerWaalsContact C-N 3.31Å; L360-S362 PolarHBondContact O-N 3.45Å; L360-L363 HydrophobicContact CD1-CD2 4.05Å; L360-L363 PolarHBondContact O-N 3.16Å; L360-L363 VanDerWaalsContact O-N 3.16Å; L360-L364 HydrophobicContact CD1-CD1 4.16Å; L360-L364 HydrophobicContact CD1-CD2 4.36Å; L360-L364 HydrophobicContact CD1-CG 3.95Å; L360-L364 HydrophobicContact CD2-CD1 4.33Å; L360-L364 HydrophobicContact CG-CD1 3.9Å; L360-L364 HydrophobicContact CG-CG 4.08Å; L360-L364 WeakPolarHBondContact O-CB 3.5Å; L360-L364 WeakPolarHBondContact O-CG 3.43Å; L360-L364 PolarHBondContact O-N 3.49Å; L360-L376 HydrophobicContact CD2-CD2 4.11Å; L360-L469 HydrophobicContact CB-CG 4.49Å; L360-L469 HydrophobicContact CD2-CD2 3.27Å; L360-L469 HydrophobicContact CD2-CG 3.7Å; L360-I470 HydrophobicContact CB-CD1 4.36Å; L360-I470 HydrophobicContact CD2-CD1 3.99Å; L360-I470 HydrophobicContact CG-CD1 4.03Å; L360-H508 HydrophobicContact CD2-CB 4.24Å; L360-M512 HydrophobicContact CB-SD 3.85Å; L360-M512 HydrophobicContact CD2-SD 4.48Å; L360-L521 HydrophobicContact CD1-CD1 4.42Å
361	T	95.4	Very high	87.3	Confident	9 Å²	9	42 Å²	42	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-53.5	-48.6	172	-54.3	0	0	0	0	111.3	S359 L363 L364 L365 D471 L475	S359-T361 VanDerWaalsContact C-N 3.31Å; S359-T361 PolarHBondContact O-N 2.9Å; T361-L363 PolarHBondContact O-N 2.98Å; T361-L364 PolarHBondContact O-N 3.42Å; T361-L365 WeakPolarHBondContact O-CB 3.37Å; T361-L365 PolarHBondContact O-N 2.94Å; T361-D471 PolarHBondContact OG1-N 3.15Å; T361-L475 HydrophobicContact CG2-CB 4.05Å; T361-L475 HydrophobicContact CG2-CD1 3.96Å
362	S	93.2	Very high	88.9	Confident	57 Å²	57	38.5 Å²	38.5	40%	0.399	21%	0.207	S	C	.	.	H	α-helix	trans	-66.8	-35.8	179.1	-62.2	0	0	0	0	112.8	S359 L360 P366	S359-S362 WeakPolarHBondContact CB-OG 3.45Å; S359-S362 PolarHBondContact O-N 2.72Å; S359-S362 PolarHBondContact OG-N 3.19Å; S359-S362 VanDerWaalsContact OG-N 3.15Å; S359-S362 PolarHBondContact OG-OG 2.91Å; L360-S362 VanDerWaalsContact C-N 3.31Å; L360-S362 PolarHBondContact O-N 3.45Å; S362-P366 WeakPolarHBondContact O-CD 3.47Å
363	L	94.1	Very high	90.4	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-41.9	178.3	177.3	66.1	0	0	0	111.6	F332 F358 S359 L360 T361 L521 H522 T525	F332-L363 HydrophobicContact CB-CD1 4.45Å; F332-L363 HydrophobicContact CD1-CD1 3.96Å; F332-L363 WeakPolarHBondContact CD1-O 3.17Å; F332-L363 WeakPolarHBondContact CE1-O 3.26Å; F358-L363 HydrophobicContact CE2-CD2 4.08Å; F358-L363 HydrophobicContact CZ-CD2 3.62Å; S359-L363 PolarHBondContact O-N 3.48Å; L360-L363 HydrophobicContact CD1-CD2 4.05Å; L360-L363 PolarHBondContact O-N 3.16Å; L360-L363 VanDerWaalsContact O-N 3.16Å; T361-L363 PolarHBondContact O-N 2.98Å; L363-L521 HydrophobicContact CD2-CB 4.42Å; L363-H522 HydrophobicContact CD2-CB 4.49Å; L363-T525 HydrophobicContact CD1-CG2 4.42Å; L363-T525 HydrophobicContact CG-CG2 4.19Å
364	L	96.9	Very high	91.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-81.2	-23.8	-176	-67.5	-174.6	0	0	0	113.3	L360 T361 L367 L368 T374 L376 F377 I470 T525	L360-L364 HydrophobicContact CD1-CD1 4.16Å; L360-L364 HydrophobicContact CD1-CD2 4.36Å; L360-L364 HydrophobicContact CD1-CG 3.95Å; L360-L364 HydrophobicContact CD2-CD1 4.33Å; L360-L364 HydrophobicContact CG-CD1 3.9Å; L360-L364 HydrophobicContact CG-CG 4.08Å; L360-L364 WeakPolarHBondContact O-CB 3.5Å; L360-L364 WeakPolarHBondContact O-CG 3.43Å; L360-L364 PolarHBondContact O-N 3.49Å; T361-L364 PolarHBondContact O-N 3.42Å; L364-L367 PolarHBondContact O-N 2.98Å; L364-L367 VanDerWaalsContact O-N 3.12Å; L364-L368 PolarHBondContact O-N 3.19Å; L364-T374 HydrophobicContact CB-CG2 3.96Å; L364-T374 HydrophobicContact CD1-CG2 4.31Å; L364-T374 HydrophobicContact CD2-CG2 4.32Å; L364-T374 HydrophobicContact CG-CG2 4.42Å; L364-L376 HydrophobicContact CD1-CB 4.22Å; L364-L376 HydrophobicContact CD1-CD2 4.3Å; L364-F377 HydrophobicContact CD1-CE1 4.26Å; L364-I470 HydrophobicContact CD1-CD1 4.06Å; L364-T525 HydrophobicContact CD2-CG2 4.01Å
365	L	96.9	Very high	92.6	Very high	38 Å²	38	32.4 Å²	32.4	20%	0.199	19%	0.185	C	C	.	.	H	α-helix	trans	-54.5	-45.7	-174.6	179.9	65	0	0	0	113.9	T361 L367 L368 L369 L475	T361-L365 WeakPolarHBondContact O-CB 3.37Å; T361-L365 PolarHBondContact O-N 2.94Å; L365-L367 VanDerWaalsContact C-N 3.35Å; L365-L367 PolarHBondContact O-N 3.11Å; L365-L368 PolarHBondContact O-N 3.42Å; L365-L369 HydrophobicContact CD1-CD1 4.06Å; L365-L369 HydrophobicContact CD1-CG 4.07Å; L365-L369 HydrophobicContact CG-CD1 4.05Å; L365-L369 HydrophobicContact CG-CG 4.46Å; L365-L369 WeakPolarHBondContact O-CB 3.25Å; L365-L369 WeakPolarHBondContact O-CG 3.26Å; L365-L369 PolarHBondContact O-N 3.17Å; L365-L475 HydrophobicContact CD1-CD1 4.14Å
366	P	97.2	Very high	93.7	Very high	13 Å²	13	27.2 Å²	27.2	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-40.2	177.7	-21.4	32.4	0	0	0	113	L331 F332 S362 L369 Q370 Y657	L331-P366 HydrophobicContact CB-CB 4.06Å; L331-P366 HydrophobicContact CB-CG 4.28Å; L331-P366 HydrophobicContact CD2-CB 4.47Å; L331-P366 WeakPolarHBondContact O-CG 3.32Å; F332-P366 HydrophobicContact CD1-CG 4.4Å; F332-P366 HydrophobicContact CE1-CB 3.98Å; F332-P366 HydrophobicContact CE1-CG 4.14Å; F332-P366 HydrophobicContact CZ-CB 4.02Å; S362-P366 WeakPolarHBondContact O-CD 3.47Å; P366-L369 PolarHBondContact O-N 3.23Å; P366-Q370 WeakPolarHBondContact O-CB 3.42Å; P366-Q370 PolarHBondContact O-N 2.75Å; P366-Y657 WeakPolarHBondContact CA-OH 3.18Å; P366-Y657 HydrophobicContact CB-CE2 4.48Å; P366-Y657 WeakPolarHBondContact O-CE2 3.23Å
367	L	98	Very high	94.7	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-67.2	-40	177	179	60.3	0	0	0	111.2	L364 L365 Q370 S371 T525 F529 N532	L364-L367 PolarHBondContact O-N 2.98Å; L364-L367 VanDerWaalsContact O-N 3.12Å; L365-L367 VanDerWaalsContact C-N 3.35Å; L365-L367 PolarHBondContact O-N 3.11Å; L367-Q370 VanDerWaalsContact O-CB 3.29Å; L367-Q370 WeakPolarHBondContact O-CB 3.4Å; L367-Q370 PolarHBondContact O-N 3.23Å; L367-S371 PolarHBondContact O-N 3.4Å; L367-S371 PolarHBondContact O-OG 3.13Å; L367-T525 HydrophobicContact CB-CG2 4.11Å; L367-T525 HydrophobicContact CD2-CG2 3.83Å; L367-F529 HydrophobicContact CD1-CB 4.1Å; L367-N532 VanDerWaalsContact CD1-ND2 3.35Å; L367-N532 WeakPolarHBondContact CD1-ND2 3.09Å
368	L	97.6	Very high	95.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.1	-43.5	175.2	-172	71.6	0	0	0	111.6	L364 L365 Q370 S371 G372 T374 F377 L379 L475 I479	L364-L368 PolarHBondContact O-N 3.19Å; L365-L368 PolarHBondContact O-N 3.42Å; L368-Q370 PolarHBondContact O-N 3.28Å; L368-S371 PolarHBondContact O-N 3.01Å; L368-G372 WeakPolarHBondContact CD1-O 3.13Å; L368-G372 VanDerWaalsContact O-CA 3.23Å; L368-G372 WeakPolarHBondContact O-CA 3.19Å; L368-G372 PolarHBondContact O-N 3.27Å; L368-T374 HydrophobicContact CB-CG2 3.92Å; L368-T374 HydrophobicContact CD1-CG2 3.97Å; L368-F377 HydrophobicContact CD1-CE2 3.92Å; L368-F377 HydrophobicContact CD1-CZ 4.4Å; L368-F377 HydrophobicContact CD2-CE2 4.06Å; L368-F377 HydrophobicContact CD2-CZ 4.1Å; L368-L379 HydrophobicContact CD1-CB 4.08Å; L368-L475 HydrophobicContact CD2-CD1 3.72Å; L368-L475 HydrophobicContact CD2-CD2 3.91Å; L368-L475 HydrophobicContact CD2-CG 4.03Å; L368-I479 HydrophobicContact CD2-CD1 3.67Å
369	L	96.5	Very high	96.1	Very high	11 Å²	11	14.5 Å²	14.5	6%	0.058	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-25.4	175	-74.1	172.9	0	0	0	112.2	L365 P366 I479 K661 F664 L665	L365-L369 HydrophobicContact CD1-CD1 4.06Å; L365-L369 HydrophobicContact CD1-CG 4.07Å; L365-L369 HydrophobicContact CG-CD1 4.05Å; L365-L369 HydrophobicContact CG-CG 4.46Å; L365-L369 WeakPolarHBondContact O-CB 3.25Å; L365-L369 WeakPolarHBondContact O-CG 3.26Å; L365-L369 PolarHBondContact O-N 3.17Å; P366-L369 PolarHBondContact O-N 3.23Å; L369-I479 HydrophobicContact CD2-CG1 4.41Å; L369-K661 HydrophobicContact CB-CG 4.26Å; L369-K661 HydrophobicContact CD1-CD 4.4Å; L369-K661 VanDerWaalsContact O-CA 3.27Å; L369-K661 WeakPolarHBondContact O-CA 3.23Å; L369-F664 HydrophobicContact CD2-CD1 4.27Å; L369-F664 HydrophobicContact CD2-CE1 4.29Å; L369-F664 WeakPolarHBondContact O-CB 3.37Å; L369-L665 HydrophobicContact CD2-CD2 4.47Å
370	Q	96.1	Very high	96.3	Very high	8 Å²	8	18 Å²	18	4%	0.037	10%	0.103	C	C	.	.	H	α-helix	trans	-71.2	-41.2	178.4	-167.7	-172	28.8	0	0	113.1	P366 L367 L368 F529 N532 Y657 Q660	P366-Q370 WeakPolarHBondContact O-CB 3.42Å; P366-Q370 PolarHBondContact O-N 2.75Å; L367-Q370 VanDerWaalsContact O-CB 3.29Å; L367-Q370 WeakPolarHBondContact O-CB 3.4Å; L367-Q370 PolarHBondContact O-N 3.23Å; L368-Q370 PolarHBondContact O-N 3.28Å; Q370-F529 HydrophobicContact CB-CE2 4.44Å; Q370-F529 VanDerWaalsContact CD-CD2 3.43Å; Q370-F529 HydrophobicContact CG-CD2 4.41Å; Q370-F529 HydrophobicContact CG-CE2 4.21Å; Q370-F529 PolarHBondContact NE2-O 3.21Å; Q370-N532 PolarHBondContact OE1-ND2 3.42Å; Q370-Y657 HydrophobicContact CB-CE2 4.35Å; Q370-Q660 HydrophobicContact CG-CB 4Å; Q370-Q660 HydrophobicContact CG-CG 4.45Å
371	S	94.8	Very high	96.3	Very high	55 Å²	55	18.5 Å²	18.5	39%	0.385	11%	0.106	S	C	.	.	H	α-helix	trans	-141.7	-5.3	-167.8	68.3	0	0	0	0	115.6	L367 L368 S373	L367-S371 PolarHBondContact O-N 3.4Å; L367-S371 PolarHBondContact O-OG 3.13Å; L368-S371 PolarHBondContact O-N 3.01Å; S371-S373 PolarHBondContact O-N 3.4Å; S371-S373 PolarHBondContact OG-N 2.96Å; S371-S373 PolarHBondContact OG-O 3.35Å
372	G	96.4	Very high	96	Very high	4 Å²	4	20 Å²	20	4%	0.041	12%	0.115	C	C	.	.	S	Bend	trans	72.5	5.5	-168.8	0	0	0	0	0	114.2	L368 S378 L379	L368-G372 WeakPolarHBondContact CD1-O 3.13Å; L368-G372 VanDerWaalsContact O-CA 3.23Å; L368-G372 WeakPolarHBondContact O-CA 3.19Å; L368-G372 PolarHBondContact O-N 3.27Å; G372-S378 CarbonylContact O-C 3.48Å; G372-S378 WeakPolarHBondContact O-CA 3.45Å; G372-L379 PolarHBondContact O-N 3.41Å
373	S	97.8	Very high	95.4	Very high	20 Å²	20	19.5 Å²	19.5	14%	0.14	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-134.8	139.9	-177.3	-169.9	0	0	0	0	112.6	S371 S378 S395	S371-S373 PolarHBondContact O-N 3.4Å; S371-S373 PolarHBondContact OG-N 2.96Å; S371-S373 PolarHBondContact OG-O 3.35Å; S373-S378 WeakPolarHBondContact CB-OG 3.44Å; S373-S378 PolarHBondContact OG-OG 3.35Å; S373-S395 WeakPolarHBondContact OG-CB 3.16Å; S373-S395 PolarHBondContact OG-N 3.21Å
374	T	97.9	Very high	94.4	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.018	13%	0.129	C	C	.	.			trans	-122.5	-178.7	173.6	72.8	0	0	0	0	109.2	L364 L368 L376 F377 G394 S395	L364-T374 HydrophobicContact CB-CG2 3.96Å; L364-T374 HydrophobicContact CD1-CG2 4.31Å; L364-T374 HydrophobicContact CD2-CG2 4.32Å; L364-T374 HydrophobicContact CG-CG2 4.42Å; L368-T374 HydrophobicContact CB-CG2 3.92Å; L368-T374 HydrophobicContact CD1-CG2 3.97Å; T374-L376 VanDerWaalsContact C-N 3.27Å; T374-L376 PolarHBondContact O-N 2.91Å; T374-L376 PolarHBondContact OG1-N 2.77Å; T374-F377 WeakPolarHBondContact CB-O 3.44Å; T374-F377 PolarHBondContact N-O 3.48Å; T374-F377 PolarHBondContact OG1-N 3.26Å; T374-F377 PolarHBondContact OG1-O 2.75Å; T374-G394 CarbonylContact O-C 3.55Å; T374-G394 VanDerWaalsContact O-C 3.32Å; T374-G394 WeakPolarHBondContact O-CA 3.49Å; T374-S395 PolarHBondContact O-N 2.58Å
375	T	95	Very high	93.3	Very high	3 Å²	3	31 Å²	31	2%	0.018	17%	0.169	C	C	.	.	S	Bend	trans	-76.7	-12	173.1	53.5	0	0	0	0	114.1	L396 F399 M524 S528	T375-L396 HydrophobicContact CG2-CD2 4.48Å; T375-F399 HydrophobicContact CG2-CE2 4.31Å; T375-M524 HydrophobicContact CG2-CE 4.02Å; T375-M524 HydrophobicContact CG2-CG 4.05Å; T375-M524 HydrophobicContact CG2-SD 4.23Å; T375-M524 WeakPolarHBondContact OG1-CE 3.43Å; T375-S528 WeakPolarHBondContact CG2-OG 3.49Å
376	L	97.2	Very high	92.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.189	C	C	.	.	S	Bend	trans	-98.8	-53.1	179.8	174.8	58.2	0	0	0	110.8	L360 L364 T374 G394 I470 V504 C505	L360-L376 HydrophobicContact CD2-CD2 4.11Å; L364-L376 HydrophobicContact CD1-CB 4.22Å; L364-L376 HydrophobicContact CD1-CD2 4.3Å; T374-L376 VanDerWaalsContact C-N 3.27Å; T374-L376 PolarHBondContact O-N 2.91Å; T374-L376 PolarHBondContact OG1-N 2.77Å; L376-G394 PolarHBondContact O-N 2.92Å; L376-I470 HydrophobicContact CD2-CD1 3.8Å; L376-I470 HydrophobicContact CD2-CG1 3.69Å; L376-V504 HydrophobicContact CD1-CB 4.26Å; L376-V504 HydrophobicContact CD1-CG1 3.67Å; L376-C505 HydrophobicContact CD1-CB 4.11Å
377	F	97.8	Very high	92.2	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.4	-178.1	70.3	-85.9	0	0	0	111.5	L364 L368 T374 L379 I391 S392 I470 W472 L475 L501	L364-F377 HydrophobicContact CD1-CE1 4.26Å; L368-F377 HydrophobicContact CD1-CE2 3.92Å; L368-F377 HydrophobicContact CD1-CZ 4.4Å; L368-F377 HydrophobicContact CD2-CE2 4.06Å; L368-F377 HydrophobicContact CD2-CZ 4.1Å; T374-F377 WeakPolarHBondContact CB-O 3.44Å; T374-F377 PolarHBondContact N-O 3.48Å; T374-F377 PolarHBondContact OG1-N 3.26Å; T374-F377 PolarHBondContact OG1-O 2.75Å; F377-L379 HydrophobicContact CE2-CB 4.33Å; F377-I391 HydrophobicContact CB-CG2 4.15Å; F377-I391 HydrophobicContact CD2-CG2 4.37Å; F377-S392 CarbonylContact C-O 3.59Å; F377-S392 VanDerWaalsContact CA-O 3.27Å; F377-S392 WeakPolarHBondContact CA-O 3.3Å; F377-S392 WeakPolarHBondContact CB-O 3.37Å; F377-I470 HydrophobicContact CE1-CD1 4.22Å; F377-I470 HydrophobicContact CE1-CG1 4.07Å; F377-I470 HydrophobicContact CE1-CG2 4.35Å; F377-W472 AromaticContact CD1-CH2 3.93Å; F377-W472 HydrophobicContact CD1-CH2 3.93Å; F377-W472 AromaticContact CD2-CH2 3.94Å; F377-W472 HydrophobicContact CD2-CH2 3.94Å; F377-W472 HydrophobicContact CD2-CZ3 4Å; F377-W472 HydrophobicContact CE1-CH2 4.12Å; F377-W472 HydrophobicContact CE1-CZ3 4.34Å; F377-W472 HydrophobicContact CE2-CH2 4.13Å; F377-W472 AromaticContact CE2-CZ3 3.81Å; F377-W472 HydrophobicContact CE2-CZ3 3.81Å; F377-W472 AromaticContact CG-CH2 3.86Å; F377-W472 HydrophobicContact CG-CH2 3.86Å; F377-W472 HydrophobicContact CG-CZ3 4.37Å; F377-W472 HydrophobicContact CZ-CH2 4.23Å; F377-W472 HydrophobicContact CZ-CZ3 4.01Å; F377-L475 HydrophobicContact CE2-CD2 3.82Å; F377-L475 HydrophobicContact CZ-CD2 3.45Å; F377-L475 VanDerWaalsContact CZ-CD2 3.45Å; F377-L501 HydrophobicContact CB-CD1 4.03Å
378	S	98.2	Very high	91.9	Very high	11 Å²	11	38 Å²	38	8%	0.077	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.7	166.6	-47.5	0	0	0	0	109.6	G372 S373 I391 S392 L393	G372-S378 CarbonylContact O-C 3.48Å; G372-S378 WeakPolarHBondContact O-CA 3.45Å; S373-S378 WeakPolarHBondContact CB-OG 3.44Å; S373-S378 PolarHBondContact OG-OG 3.35Å; S378-I391 WeakPolarHBondContact O-CA 3.27Å; S378-S392 PolarHBondContact N-O 3.25Å; S378-S392 PolarHBondContact O-N 3.06Å; S378-L393 PolarHBondContact OG-O 2.69Å
379	L	97.4	Very high	91.8	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.5	179	-175.2	154.5	0	0	0	109.3	L368 G372 F377 I389 D390 I391 F476 I479 F664 I668	L368-L379 HydrophobicContact CD1-CB 4.08Å; G372-L379 PolarHBondContact O-N 3.41Å; F377-L379 HydrophobicContact CE2-CB 4.33Å; L379-I389 HydrophobicContact CD1-CG2 4.31Å; L379-I389 HydrophobicContact CG-CG2 4.23Å; L379-D390 WeakPolarHBondContact CA-O 3.38Å; L379-I391 HydrophobicContact CB-CD1 4.03Å; L379-I391 HydrophobicContact CD1-CD1 3.85Å; L379-I391 HydrophobicContact CG-CD1 3.85Å; L379-F476 HydrophobicContact CD1-CD1 4Å; L379-F476 HydrophobicContact CD1-CE1 3.65Å; L379-I479 HydrophobicContact CD1-CD1 3.91Å; L379-F664 HydrophobicContact CD2-CZ 4.26Å; L379-I668 HydrophobicContact CD2-CD1 4.47Å
380	K	94.6	Very high	91.8	Very high	123 Å²	123	38.3 Å²	38.3	54%	0.535	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.8	175.6	-45.1	-178.3	-168.7	178.1	0	108.7	D390	K380-D390 PolarHBondContact N-O 3.09Å; K380-D390 PolarHBondContact O-N 3.33Å
381	L	92.8	Very high	91.9	Very high	14 Å²	14	37.9 Å²	37.9	7%	0.073	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.8	167.7	-163	80	0	0	0	108.6	P387 R388 I389 F480 M491 I668 S671 L672	L381-P387 HydrophobicContact CD2-CB 4.22Å; L381-R388 WeakPolarHBondContact CA-O 3.42Å; L381-R388 VanDerWaalsContact CD1-C 3.5Å; L381-R388 WeakPolarHBondContact CD1-O 3.49Å; L381-I389 HydrophobicContact CD1-CG1 3.85Å; L381-F480 HydrophobicContact CD1-CZ 4.43Å; L381-M491 HydrophobicContact CD1-SD 3.77Å; L381-I668 HydrophobicContact CB-CG1 4.46Å; L381-I668 HydrophobicContact CB-CG2 4.01Å; L381-I668 HydrophobicContact CD2-CG2 3.75Å; L381-I668 HydrophobicContact CG-CG2 4.42Å; L381-S671 WeakPolarHBondContact O-CB 3.08Å; L381-S671 PolarHBondContact O-OG 3.45Å; L381-L672 HydrophobicContact CD2-CD1 4.35Å; L381-L672 HydrophobicContact CD2-CD2 3.34Å; L381-L672 HydrophobicContact CD2-CG 3.55Å
382	V	89.3	Confident	92	Very high	41 Å²	41	36.5 Å²	36.5	25%	0.248	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.3	178.9	-174.5	0	0	0	0	108.4	P387 R388 D390	V382-P387 WeakPolarHBondContact O-CA 3.38Å; V382-R388 HydrophobicContact CB-CG 4.33Å; V382-R388 PolarHBondContact N-O 2.81Å; V382-R388 PolarHBondContact O-N 2.88Å; V382-D390 HydrophobicContact CG2-CB 4.1Å
383	N	82	Confident	92	Very high	45 Å²	45	37.4 Å²	37.4	24%	0.241	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	103.5	177.3	-171.1	1.1	0	0	0	110.2	D385 S671 T674	N383-D385 PolarHBondContact OD1-N 2.8Å; N383-S671 VanDerWaalsContact CB-O 3.3Å; N383-S671 WeakPolarHBondContact CB-O 3.42Å; N383-S671 PolarHBondContact ND2-O 2.96Å; N383-T674 WeakPolarHBondContact ND2-CG2 3.39Å
384	D	72.7	Confident	91.9	Very high	96 Å²	96	37.2 Å²	37.2	51%	0.513	20%	0.199	S	C	.	.	S	Bend	trans	-118	81.8	168.3	-55.3	-26.2	0	0	0	106.4	N386 R388	D384-N386 PolarHBondContact O-N 3.46Å; D384-R388 VanDerWaalsContact CG-NH1 3.28Å; D384-R388 IonicContact OD2-CZ 3.33Å; D384-R388 IonicContact OD2-NH1 2.93Å; D384-R388 PolarHBondContact OD2-NH1 3.16Å; D384-R388 IonicContact OD2-NH2 2.74Å; D384-R388 PolarHBondContact OD2-NH2 3.08Å
385	D	73.2	Confident	91.8	Very high	158 Å²	158	39.3 Å²	39.3	85%	0.845	21%	0.214	S	C	*	.	S	Bend	trans	66.4	-35	-170.8	-54.4	-44.4	0	0	0	116.4	N383	N383-D385 PolarHBondContact OD1-N 2.8Å
386	N	82.8	Confident	91.7	Very high	117 Å²	117	39.8 Å²	39.8	63%	0.626	22%	0.216	S	C	*	.	S	Bend	trans	-126.7	130.3	173	-69.7	-62	0	0	0	110.4	D384 R388	D384-N386 PolarHBondContact O-N 3.46Å; N386-R388 PolarHBondContact O-N 3.33Å
387	P	88.4	Confident	91.5	Very high	32 Å²	32	44.6 Å²	44.6	21%	0.208	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.5	178.5	28.1	-34.1	0	0	0	110.8	L381 V382 M491 L672	L381-P387 HydrophobicContact CD2-CB 4.22Å; V382-P387 WeakPolarHBondContact O-CA 3.38Å; P387-M491 HydrophobicContact CB-CE 4.02Å; P387-M491 HydrophobicContact CG-CE 3.94Å; P387-L672 HydrophobicContact CB-CD2 3.87Å; P387-L672 HydrophobicContact CG-CD2 4.14Å
388	R	92.5	Very high	91.2	Very high	51 Å²	51	44.7 Å²	44.7	19%	0.192	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.1	-179.8	64.4	172.3	-169.5	-92	-0.5	112	L381 V382 D384 N386 D390 E492	L381-R388 WeakPolarHBondContact CA-O 3.42Å; L381-R388 VanDerWaalsContact CD1-C 3.5Å; L381-R388 WeakPolarHBondContact CD1-O 3.49Å; V382-R388 HydrophobicContact CB-CG 4.33Å; V382-R388 PolarHBondContact N-O 2.81Å; V382-R388 PolarHBondContact O-N 2.88Å; D384-R388 VanDerWaalsContact CG-NH1 3.28Å; D384-R388 IonicContact OD2-CZ 3.33Å; D384-R388 IonicContact OD2-NH1 2.93Å; D384-R388 PolarHBondContact OD2-NH1 3.16Å; D384-R388 IonicContact OD2-NH2 2.74Å; D384-R388 PolarHBondContact OD2-NH2 3.08Å; N386-R388 PolarHBondContact O-N 3.33Å; R388-D390 IonicContact NE-OD1 2.81Å; R388-D390 PolarHBondContact NE-OD1 2.82Å; R388-E492 WeakPolarHBondContact CA-O 3.45Å; R388-E492 HydrophobicContact CB-CB 4.09Å; R388-E492 WeakPolarHBondContact CB-O 3.48Å
389	I	95.5	Very high	91	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.7	179.6	-57.9	171.6	0	0	0	108.6	L379 L381 I391 F476 F480 M491 E492 I493 I494	L379-I389 HydrophobicContact CD1-CG2 4.31Å; L379-I389 HydrophobicContact CG-CG2 4.23Å; L381-I389 HydrophobicContact CD1-CG1 3.85Å; I389-I391 HydrophobicContact CG2-CD1 3.94Å; I389-I391 HydrophobicContact CG2-CG1 4.33Å; I389-F476 HydrophobicContact CG2-CE1 4.12Å; I389-F476 HydrophobicContact CG2-CZ 4.27Å; I389-F480 HydrophobicContact CD1-CE2 3.85Å; I389-F480 HydrophobicContact CD1-CZ 4.02Å; I389-F480 HydrophobicContact CG1-CE2 4.49Å; I389-F480 HydrophobicContact CG1-CZ 4.23Å; I389-M491 HydrophobicContact CD1-CB 4.31Å; I389-M491 HydrophobicContact CD1-SD 4.41Å; I389-M491 HydrophobicContact CG1-CB 4.25Å; I389-M491 HydrophobicContact CG1-SD 4.12Å; I389-E492 PolarHBondContact N-O 3.42Å; I389-I493 HydrophobicContact CB-CG1 4.45Å; I389-I493 CarbonylContact O-C 3.32Å; I389-I493 WeakPolarHBondContact O-CA 3.48Å; I389-I494 PolarHBondContact O-N 3.44Å
390	D	96.1	Very high	90.6	Very high	16 Å²	16	46.4 Å²	46.4	9%	0.086	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121	175.7	-86.2	38.7	0	0	0	109.6	L379 K380 V382 R388 I494 H496	L379-D390 WeakPolarHBondContact CA-O 3.38Å; K380-D390 PolarHBondContact N-O 3.09Å; K380-D390 PolarHBondContact O-N 3.33Å; V382-D390 HydrophobicContact CG2-CB 4.1Å; R388-D390 IonicContact NE-OD1 2.81Å; R388-D390 PolarHBondContact NE-OD1 2.82Å; D390-I494 WeakPolarHBondContact CA-O 3.48Å; D390-H496 IonicContact OD2-CD2 2.84Å; D390-H496 IonicContact OD2-CE1 2.64Å; D390-H496 IonicContact OD2-NE2 3.8Å; D390-H496 PolarHBondContact OD2-NE2 2.86Å
391	I	97.9	Very high	90.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.9	173.2	-55.5	-59.3	0	0	0	108.4	F377 S378 L379 I389 W472 F476 I493 I494 V495 H496 L501	F377-I391 HydrophobicContact CB-CG2 4.15Å; F377-I391 HydrophobicContact CD2-CG2 4.37Å; S378-I391 WeakPolarHBondContact O-CA 3.27Å; L379-I391 HydrophobicContact CB-CD1 4.03Å; L379-I391 HydrophobicContact CD1-CD1 3.85Å; L379-I391 HydrophobicContact CG-CD1 3.85Å; I389-I391 HydrophobicContact CG2-CD1 3.94Å; I389-I391 HydrophobicContact CG2-CG1 4.33Å; I391-W472 HydrophobicContact CD1-CZ3 3.97Å; I391-W472 HydrophobicContact CG1-CZ3 4.38Å; I391-W472 HydrophobicContact CG2-CH2 4.02Å; I391-W472 HydrophobicContact CG2-CZ3 4.45Å; I391-F476 HydrophobicContact CD1-CE1 4.37Å; I391-I493 HydrophobicContact CG1-CG2 4.32Å; I391-I494 PolarHBondContact N-O 3.36Å; I391-V495 HydrophobicContact CB-CG2 4.31Å; I391-V495 WeakPolarHBondContact O-CA 3.38Å; I391-H496 PolarHBondContact O-N 3.31Å; I391-L501 HydrophobicContact CG2-CD2 3.95Å
392	S	96.6	Very high	89.9	Confident	26 Å²	26	43 Å²	43	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	175.9	175.9	72.3	0	0	0	0	110.9	F377 S378	F377-S392 CarbonylContact C-O 3.59Å; F377-S392 VanDerWaalsContact CA-O 3.27Å; F377-S392 WeakPolarHBondContact CA-O 3.3Å; F377-S392 WeakPolarHBondContact CB-O 3.37Å; S378-S392 PolarHBondContact N-O 3.25Å; S378-S392 PolarHBondContact O-N 3.06Å
393	L	96.4	Very high	89.3	Confident	23 Å²	23	41.5 Å²	41.5	12%	0.12	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	149.5	172.4	-62.1	172.8	0	0	0	111.6	S378 I449 D497 L501	S378-L393 PolarHBondContact OG-O 2.69Å; L393-I449 HydrophobicContact CD1-CB 4.39Å; L393-I449 HydrophobicContact CD1-CG1 4.17Å; L393-I449 HydrophobicContact CD1-CG2 3.61Å; L393-D497 HydrophobicContact CD1-CB 4.12Å; L393-D497 HydrophobicContact CG-CB 4.36Å; L393-L501 HydrophobicContact CD2-CB 4.1Å
394	G	95.6	Very high	88.5	Confident	15 Å²	15	44.1 Å²	44.1	16%	0.155	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-69.8	168.1	178.1	0	0	0	0	0	113.7	T374 L376	T374-G394 CarbonylContact O-C 3.55Å; T374-G394 VanDerWaalsContact O-C 3.32Å; T374-G394 WeakPolarHBondContact O-CA 3.49Å; L376-G394 PolarHBondContact O-N 2.92Å
395	S	95.4	Very high	87.9	Confident	48 Å²	48	42 Å²	42	34%	0.336	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-92.5	134.7	174.1	-179.6	0	0	0	0	111.8	S373 T374 E397	S373-S395 WeakPolarHBondContact OG-CB 3.16Å; S373-S395 PolarHBondContact OG-N 3.21Å; T374-S395 PolarHBondContact O-N 2.58Å; S395-E397 WeakPolarHBondContact OG-CB 3.2Å; S395-E397 PolarHBondContact OG-N 2.99Å
396	L	93.8	Very high	87.2	Confident	12 Å²	12	37.2 Å²	37.2	6%	0.063	22%	0.221	C	C	.	.			trans	-111.8	12.6	174	-56.7	175.7	0	0	0	112.3	T375 A398 F399 D400 I445 K446 I449	T375-L396 HydrophobicContact CG2-CD2 4.48Å; L396-A398 PolarHBondContact O-N 2.76Å; L396-A398 VanDerWaalsContact O-N 3.1Å; L396-F399 PolarHBondContact O-N 3.31Å; L396-D400 PolarHBondContact O-N 3.31Å; L396-I445 HydrophobicContact CD1-CG2 3.89Å; L396-I445 HydrophobicContact CD2-CG2 4.04Å; L396-K446 HydrophobicContact CD1-CB 4.07Å; L396-I449 HydrophobicContact CD1-CD1 3.92Å
397	E	92.1	Very high	85.9	Confident	103 Å²	103	34.8 Å²	34.8	48%	0.481	21%	0.213	S	C	.	.	H	α-helix	trans	-54.7	-37.3	-170.9	-164.4	-167	148.8	0	0	113	S395 F399 D400 A401 F531 K534	S395-E397 WeakPolarHBondContact OG-CB 3.2Å; S395-E397 PolarHBondContact OG-N 2.99Å; E397-F399 PolarHBondContact O-N 3.05Å; E397-D400 PolarHBondContact O-N 3.14Å; E397-A401 VanDerWaalsContact O-CB 3.27Å; E397-A401 WeakPolarHBondContact O-CB 3.36Å; E397-A401 PolarHBondContact O-N 3.34Å; E397-F531 HydrophobicContact CB-CE1 3.93Å; E397-F531 HydrophobicContact CB-CZ 4.3Å; E397-F531 HydrophobicContact CG-CE1 3.78Å; E397-F531 HydrophobicContact CG-CZ 3.8Å; E397-K534 IonicContact OE1-NZ 2.68Å
398	A	92.4	Very high	84.2	Confident	3 Å²	3	38.9 Å²	38.9	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-33.7	178.1	0	0	0	0	0	113.2	L396 I527 F531 Y545	L396-A398 PolarHBondContact O-N 2.76Å; L396-A398 VanDerWaalsContact O-N 3.1Å; A398-I527 HydrophobicContact CB-CG2 4.48Å; A398-F531 HydrophobicContact CB-CB 3.6Å; A398-F531 HydrophobicContact CB-CD1 3.82Å; A398-F531 HydrophobicContact CB-CD2 4.01Å; A398-F531 HydrophobicContact CB-CE1 4.43Å; A398-F531 HydrophobicContact CB-CG 3.55Å; A398-Y545 WeakPolarHBondContact O-CE1 3.49Å; A398-Y545 PolarHBondContact O-OH 3.4Å
399	F	92.7	Very high	82.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-95.8	-35.5	-179.5	-55.3	-77.1	0	0	0	111.8	T375 L396 E397 A401 V402 A403 L418 V438 L439 H442 M524 I527	T375-F399 HydrophobicContact CG2-CE2 4.31Å; L396-F399 PolarHBondContact O-N 3.31Å; E397-F399 PolarHBondContact O-N 3.05Å; F399-A401 PolarHBondContact O-N 3Å; F399-V402 WeakPolarHBondContact O-CG2 3.38Å; F399-V402 PolarHBondContact O-N 3.08Å; F399-V402 VanDerWaalsContact O-N 3.14Å; F399-A403 PolarHBondContact O-N 3.37Å; F399-L418 HydrophobicContact CD1-CD2 4.08Å; F399-L418 HydrophobicContact CE1-CD2 4.11Å; F399-V438 HydrophobicContact CD1-CG1 4.33Å; F399-V438 HydrophobicContact CE1-CG1 3.54Å; F399-V438 HydrophobicContact CZ-CG1 3.99Å; F399-L439 HydrophobicContact CB-CD2 4.49Å; F399-L439 HydrophobicContact CD1-CD2 4.08Å; F399-H442 HydrophobicContact CB-CB 4.3Å; F399-H442 WeakPolarHBondContact CB-ND1 3.4Å; F399-H442 HydrophobicContact CG-CB 4.29Å; F399-M524 HydrophobicContact CD2-CG 4.5Å; F399-M524 HydrophobicContact CE1-CG 4.32Å; F399-M524 HydrophobicContact CE2-CG 3.45Å; F399-M524 VanDerWaalsContact CE2-CG 3.45Å; F399-M524 HydrophobicContact CE2-SD 4.36Å; F399-M524 HydrophobicContact CZ-CB 4.19Å; F399-M524 HydrophobicContact CZ-CG 3.36Å; F399-I527 HydrophobicContact CE1-CB 4.23Å; F399-I527 HydrophobicContact CE1-CD1 4.14Å; F399-I527 HydrophobicContact CE1-CG2 3.74Å; F399-I527 HydrophobicContact CZ-CB 3.98Å; F399-I527 HydrophobicContact CZ-CD1 4.5Å; F399-I527 HydrophobicContact CZ-CG2 3.77Å
400	D	89.6	Confident	81	Confident	50 Å²	50	44.7 Å²	44.7	27%	0.267	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-33	173.2	-75.5	-35.7	0	0	0	112	L396 E397 V402 A403 P404 H442 K446	L396-D400 PolarHBondContact O-N 3.31Å; E397-D400 PolarHBondContact O-N 3.14Å; D400-V402 PolarHBondContact O-N 2.81Å; D400-A403 CarbonylContact O-C 3.14Å; D400-A403 PolarHBondContact O-N 2.9Å; D400-P404 WeakPolarHBondContact O-CA 3.46Å; D400-P404 WeakPolarHBondContact O-CD 3.37Å; D400-P404 VanDerWaalsContact O-N 3.16Å; D400-H442 IonicContact OD1-CE1 2.65Å; D400-H442 IonicContact OD1-NE2 2.67Å; D400-H442 PolarHBondContact OD1-NE2 3.18Å; D400-K446 IonicContact OD1-NZ 3.56Å; D400-K446 PolarHBondContact OD1-NZ 3.5Å
401	A	86.8	Confident	79.5	Confident	57 Å²	57	46.1 Å²	46.1	47%	0.471	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.4	176.4	0	0	0	0	0	114.4	E397 F399 F531 Y545	E397-A401 VanDerWaalsContact O-CB 3.27Å; E397-A401 WeakPolarHBondContact O-CB 3.36Å; E397-A401 PolarHBondContact O-N 3.34Å; F399-A401 PolarHBondContact O-N 3Å; A401-F531 HydrophobicContact CB-CE2 3.88Å; A401-F531 HydrophobicContact CB-CZ 4.2Å; A401-Y545 HydrophobicContact CB-CD1 4.33Å; A401-Y545 HydrophobicContact CB-CE1 4.06Å
402	V	86	Confident	78	Confident	9 Å²	9	50.6 Å²	50.6	6%	0.055	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-18	175.8	-67.3	0	0	0	0	113	F399 D400 A414 Q417 L418 Y421 Y545	F399-V402 WeakPolarHBondContact O-CG2 3.38Å; F399-V402 PolarHBondContact O-N 3.08Å; F399-V402 VanDerWaalsContact O-N 3.14Å; D400-V402 PolarHBondContact O-N 2.81Å; V402-A414 WeakPolarHBondContact O-CB 3.46Å; V402-Q417 HydrophobicContact CG1-CG 4.27Å; V402-L418 HydrophobicContact CG2-CB 4.4Å; V402-Y421 HydrophobicContact CG1-CD2 4.04Å; V402-Y421 HydrophobicContact CG1-CE2 3.55Å; V402-Y545 HydrophobicContact CG1-CE1 3.85Å
403	A	77.5	Confident	77.3	Confident	8 Å²	8	54.2 Å²	54.2	7%	0.066	32%	0.323	C	S	.	.			trans	-136.5	60.6	-175.8	0	0	0	0	0	112.3	F399 D400 S405 M406 A414	F399-A403 PolarHBondContact O-N 3.37Å; D400-A403 CarbonylContact O-C 3.14Å; D400-A403 PolarHBondContact O-N 2.9Å; A403-S405 PolarHBondContact O-N 3.27Å; A403-M406 HydrophobicContact CB-CG 4.49Å; A403-A414 HydrophobicContact CB-CB 3.8Å
404	P	64	Low	76.7	Confident	100 Å²	100	53.2 Å²	53.2	65%	0.649	32%	0.318	S	S	*	.	S	Bend	trans	-62.8	-31.8	-175.9	22.9	-32.3	0	0	0	112.6	D400	D400-P404 WeakPolarHBondContact O-CA 3.46Å; D400-P404 WeakPolarHBondContact O-CD 3.37Å; D400-P404 VanDerWaalsContact O-N 3.16Å
405	S	60.9	Low	76.3	Confident	51 Å²	51	52.8 Å²	52.8	36%	0.357	31%	0.313	S	S	.	.	S	Bend	trans	-132.7	124.5	175.8	68.5	0	0	0	0	111.1	A403 S407 K410	A403-S405 PolarHBondContact O-N 3.27Å; S405-S407 PolarHBondContact O-N 3.14Å; S405-K410 VanDerWaalsContact O-CD 3.24Å; S405-K410 WeakPolarHBondContact O-CD 3.37Å; S405-K410 WeakPolarHBondContact OG-CD 3.38Å; S405-K410 WeakPolarHBondContact OG-CE 3.31Å; S405-K410 PolarHBondContact OG-NZ 2.87Å
406	M	59	Low	75.9	Confident	59 Å²	59	55.2 Å²	55.2	29%	0.291	32%	0.319	S	S	.	.			trans	-99.9	70.7	-173.7	-75.1	-170.6	-74.2	0	0	113.7	A403 S443 K446	A403-M406 HydrophobicContact CB-CG 4.49Å; M406-S443 VanDerWaalsContact CE-CA 3.45Å; M406-S443 WeakPolarHBondContact CE-OG 3.44Å; M406-S443 WeakPolarHBondContact SD-CB 2.97Å; M406-S443 PolarHBondContact SD-OG 3.22Å; M406-S443 VanDerWaalsContact SD-OG 3.4Å; M406-K446 HydrophobicContact CE-CB 4.25Å; M406-K446 HydrophobicContact CE-CD 3.85Å; M406-K446 HydrophobicContact CE-CG 4.46Å
407	S	54.9	Low	75.7	Confident	65 Å²	65	57.9 Å²	57.9	46%	0.455	33%	0.331	S	S	.	.			trans	-80.4	151.2	153.6	59.4	0	0	0	0	109.4	S405 G409 K410 K411	S405-S407 PolarHBondContact O-N 3.14Å; S407-G409 VanDerWaalsContact C-N 3.27Å; S407-G409 PolarHBondContact O-N 3.46Å; S407-K410 WeakPolarHBondContact O-CA 3.24Å; S407-K410 WeakPolarHBondContact O-CB 3.42Å; S407-K410 PolarHBondContact O-N 3.22Å; S407-K410 WeakPolarHBondContact OG-CD 3.38Å; S407-K410 VanDerWaalsContact OG-CG 3.32Å; S407-K410 WeakPolarHBondContact OG-CG 3.37Å; S407-K411 PolarHBondContact O-N 3.43Å; S407-K411 VanDerWaalsContact O-N 3.15Å
408	D	53.3	Low	75.6	Confident	119 Å²	119	53 Å²	53	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-59.6	-35	-172.4	-73.1	-34.1	0	0	0	113.5	K410 K411	D408-K410 VanDerWaalsContact C-N 3.28Å; D408-K410 PolarHBondContact O-N 3.32Å; D408-K411 WeakPolarHBondContact O-CB 3.33Å; D408-K411 PolarHBondContact O-N 3.4Å; D408-K411 WeakPolarHBondContact OD1-CE 3.33Å; D408-K411 IonicContact OD1-NZ 3.64Å; D408-K411 PolarHBondContact OD1-NZ 3.29Å
409	G	56.2	Low	75.5	Confident	61 Å²	61	53.9 Å²	53.9	63%	0.629	31%	0.311	S	S	*	.	H	α-helix	trans	-63.4	-31.1	172.1	0	0	0	0	0	113.5	S407	S407-G409 VanDerWaalsContact C-N 3.27Å; S407-G409 PolarHBondContact O-N 3.46Å
410	K	63.9	Low	75.4	Confident	113 Å²	113	56.1 Å²	56.1	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-76.1	-27.3	175.2	-68.7	-177.3	-177.3	-168.5	0	112.5	S405 S407 D408 I412 N413 A414	S405-K410 VanDerWaalsContact O-CD 3.24Å; S405-K410 WeakPolarHBondContact O-CD 3.37Å; S405-K410 WeakPolarHBondContact OG-CD 3.38Å; S405-K410 WeakPolarHBondContact OG-CE 3.31Å; S405-K410 PolarHBondContact OG-NZ 2.87Å; S407-K410 WeakPolarHBondContact O-CA 3.24Å; S407-K410 WeakPolarHBondContact O-CB 3.42Å; S407-K410 PolarHBondContact O-N 3.22Å; S407-K410 WeakPolarHBondContact OG-CD 3.38Å; S407-K410 VanDerWaalsContact OG-CG 3.32Å; S407-K410 WeakPolarHBondContact OG-CG 3.37Å; D408-K410 VanDerWaalsContact C-N 3.28Å; D408-K410 PolarHBondContact O-N 3.32Å; K410-I412 PolarHBondContact O-N 3.08Å; K410-N413 PolarHBondContact O-N 3.28Å; K410-A414 WeakPolarHBondContact O-CB 3.49Å; K410-A414 PolarHBondContact O-N 3Å
411	K	64.4	Low	75.5	Confident	47 Å²	47	55.2 Å²	55.2	20%	0.204	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-39.3	177.6	-68	-179.9	-176.1	163.2	0	112.8	S407 D408 A414 A415	S407-K411 PolarHBondContact O-N 3.43Å; S407-K411 VanDerWaalsContact O-N 3.15Å; D408-K411 WeakPolarHBondContact O-CB 3.33Å; D408-K411 PolarHBondContact O-N 3.4Å; D408-K411 WeakPolarHBondContact OD1-CE 3.33Å; D408-K411 IonicContact OD1-NZ 3.64Å; D408-K411 PolarHBondContact OD1-NZ 3.29Å; K411-A414 PolarHBondContact O-N 2.74Å; K411-A415 WeakPolarHBondContact O-CB 3.46Å; K411-A415 PolarHBondContact O-N 2.8Å
412	I	67.4	Low	75.7	Confident	93 Å²	93	52.5 Å²	52.5	48%	0.477	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-47.9	178.2	-64.3	176.6	0	0	0	109.9	K410 A415 E416	K410-I412 PolarHBondContact O-N 3.08Å; I412-A415 PolarHBondContact O-N 3.46Å; I412-E416 WeakPolarHBondContact O-CG 2.95Å; I412-E416 PolarHBondContact O-N 3.04Å
413	N	80.6	Confident	75.9	Confident	102 Å²	102	58.3 Å²	58.3	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-43.9	178.2	-166.9	-5.4	0	0	0	111.6	K410 A415 E416 Q417	K410-N413 PolarHBondContact O-N 3.28Å; N413-A415 VanDerWaalsContact C-N 3.31Å; N413-A415 PolarHBondContact O-N 2.75Å; N413-E416 PolarHBondContact O-N 2.85Å; N413-E416 VanDerWaalsContact O-N 3.14Å; N413-Q417 WeakPolarHBondContact O-CB 3.39Å; N413-Q417 PolarHBondContact O-N 3.23Å
414	A	84.5	Confident	76.4	Confident	2 Å²	2	61.4 Å²	61.4	2%	0.017	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-39.6	175.8	0	0	0	0	0	112.9	V402 A403 K410 K411 Q417 L418 L439	V402-A414 WeakPolarHBondContact O-CB 3.46Å; A403-A414 HydrophobicContact CB-CB 3.8Å; K410-A414 WeakPolarHBondContact O-CB 3.49Å; K410-A414 PolarHBondContact O-N 3Å; K411-A414 PolarHBondContact O-N 2.74Å; A414-Q417 PolarHBondContact O-N 3.2Å; A414-L418 VanDerWaalsContact O-CB 3.29Å; A414-L418 WeakPolarHBondContact O-CB 3.46Å; A414-L418 PolarHBondContact O-N 2.82Å; A414-L439 HydrophobicContact CB-CD1 4.07Å
415	A	86.5	Confident	77.5	Confident	6 Å²	6	56.7 Å²	56.7	5%	0.05	31%	0.306	C	S	.	.	H	α-helix	trans	-66	-39.4	176.3	0	0	0	0	0	112	K411 I412 N413 F419 I435 K436 L439	K411-A415 WeakPolarHBondContact O-CB 3.46Å; K411-A415 PolarHBondContact O-N 2.8Å; I412-A415 PolarHBondContact O-N 3.46Å; N413-A415 VanDerWaalsContact C-N 3.31Å; N413-A415 PolarHBondContact O-N 2.75Å; A415-F419 WeakPolarHBondContact O-CB 3.42Å; A415-F419 PolarHBondContact O-N 3.48Å; A415-I435 HydrophobicContact CB-CG2 4.31Å; A415-K436 HydrophobicContact CB-CG 3.78Å; A415-L439 HydrophobicContact CB-CD1 3.67Å; A415-L439 VanDerWaalsContact N-CD1 3.35Å
416	E	88.1	Confident	78.4	Confident	100 Å²	100	54.5 Å²	54.5	47%	0.467	29%	0.291	S	S	.	.	H	α-helix	trans	-68	-42.2	176.7	-71.3	-176.6	155.6	0	0	111.9	I412 N413 F419 A420	I412-E416 WeakPolarHBondContact O-CG 2.95Å; I412-E416 PolarHBondContact O-N 3.04Å; N413-E416 PolarHBondContact O-N 2.85Å; N413-E416 VanDerWaalsContact O-N 3.14Å; E416-F419 PolarHBondContact O-N 3.41Å; E416-A420 WeakPolarHBondContact O-CB 3.32Å; E416-A420 PolarHBondContact O-N 2.91Å
417	Q	88.9	Confident	79.3	Confident	67 Å²	67	54.7 Å²	54.7	31%	0.313	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-48.4	176.4	-171.1	175.4	29.1	0	0	111.6	V402 N413 A414 F419 A420 Y421	V402-Q417 HydrophobicContact CG1-CG 4.27Å; N413-Q417 WeakPolarHBondContact O-CB 3.39Å; N413-Q417 PolarHBondContact O-N 3.23Å; A414-Q417 PolarHBondContact O-N 3.2Å; Q417-F419 VanDerWaalsContact C-N 3.34Å; Q417-F419 PolarHBondContact O-N 2.92Å; Q417-A420 WeakPolarHBondContact O-CB 3.39Å; Q417-A420 PolarHBondContact O-N 3.3Å; Q417-A420 VanDerWaalsContact O-N 3.13Å; Q417-Y421 HydrophobicContact CG-CE1 4.12Å; Q417-Y421 HydrophobicContact CG-CE2 3.88Å; Q417-Y421 PolarHBondContact NE2-OH 3.21Å; Q417-Y421 PolarHBondContact O-N 2.94Å
418	L	90.4	Very high	80.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-40.6	176.7	-178.2	52.2	0	0	0	111.8	F399 V402 A414 A420 Y421 L422 I435 L439 I527 Y545	F399-L418 HydrophobicContact CD1-CD2 4.08Å; F399-L418 HydrophobicContact CE1-CD2 4.11Å; V402-L418 HydrophobicContact CG2-CB 4.4Å; A414-L418 VanDerWaalsContact O-CB 3.29Å; A414-L418 WeakPolarHBondContact O-CB 3.46Å; A414-L418 PolarHBondContact O-N 2.82Å; L418-A420 VanDerWaalsContact C-N 3.32Å; L418-A420 PolarHBondContact O-N 3.42Å; L418-Y421 PolarHBondContact O-N 3.38Å; L418-L422 HydrophobicContact CD1-CD1 4.1Å; L418-L422 HydrophobicContact CD1-CG 4.26Å; L418-L422 HydrophobicContact CG-CD1 4.15Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 3.22Å; L418-I435 HydrophobicContact CB-CG2 4.06Å; L418-I435 HydrophobicContact CD2-CG2 3.83Å; L418-I435 HydrophobicContact CG-CG2 3.95Å; L418-L439 HydrophobicContact CD2-CD2 4.25Å; L418-L439 HydrophobicContact CD2-CG 4.39Å; L418-I527 HydrophobicContact CD1-CG2 4.09Å; L418-I527 HydrophobicContact CD2-CD1 4.29Å; L418-Y545 HydrophobicContact CD1-CE2 4.29Å; L418-Y545 VanDerWaalsContact CD1-OH 3.26Å; L418-Y545 WeakPolarHBondContact CD1-OH 3.09Å
419	F	90.5	Very high	81.2	Confident	23 Å²	23	53.2 Å²	53.2	10%	0.101	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-41.6	172.7	-176.4	-97.7	0	0	0	111.7	A415 E416 Q417 L422 K423 L428 K432 I435	A415-F419 WeakPolarHBondContact O-CB 3.42Å; A415-F419 PolarHBondContact O-N 3.48Å; E416-F419 PolarHBondContact O-N 3.41Å; Q417-F419 VanDerWaalsContact C-N 3.34Å; Q417-F419 PolarHBondContact O-N 2.92Å; F419-L422 PolarHBondContact O-N 3.48Å; F419-K423 HydrophobicContact CE1-CD 4.08Å; F419-K423 VanDerWaalsContact O-CB 3.26Å; F419-K423 WeakPolarHBondContact O-CB 3.46Å; F419-K423 PolarHBondContact O-N 2.73Å; F419-L428 HydrophobicContact CE2-CB 4.06Å; F419-L428 VanDerWaalsContact CE2-O 3.31Å; F419-L428 WeakPolarHBondContact CE2-O 3.44Å; F419-L428 HydrophobicContact CZ-CB 4.45Å; F419-K432 HydrophobicContact CD1-CD 4.4Å; F419-K432 HydrophobicContact CD1-CG 4.02Å; F419-K432 HydrophobicContact CD2-CB 4.43Å; F419-K432 HydrophobicContact CD2-CG 3.54Å; F419-K432 HydrophobicContact CE1-CD 4.43Å; F419-K432 HydrophobicContact CE1-CG 4.07Å; F419-K432 HydrophobicContact CE2-CG 3.6Å; F419-K432 HydrophobicContact CG-CG 3.76Å; F419-K432 HydrophobicContact CZ-CG 3.87Å; F419-I435 HydrophobicContact CB-CD1 3.7Å; F419-I435 HydrophobicContact CD2-CD1 3.61Å; F419-I435 HydrophobicContact CG-CD1 4.14Å
420	A	89.8	Confident	82.1	Confident	46 Å²	46	57.8 Å²	57.8	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-45.3	178.3	0	0	0	0	0	111.5	E416 Q417 L418 K423	E416-A420 WeakPolarHBondContact O-CB 3.32Å; E416-A420 PolarHBondContact O-N 2.91Å; Q417-A420 WeakPolarHBondContact O-CB 3.39Å; Q417-A420 PolarHBondContact O-N 3.3Å; Q417-A420 VanDerWaalsContact O-N 3.13Å; L418-A420 VanDerWaalsContact C-N 3.32Å; L418-A420 PolarHBondContact O-N 3.42Å; A420-K423 PolarHBondContact O-N 3.37Å
421	Y	91.8	Very high	82.9	Confident	32 Å²	32	54.2 Å²	54.2	13%	0.125	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-51.7	175.5	-64.1	-19.8	0	0	0	111.6	V402 Q417 L418 K423 K424 E543 Y545 P546	V402-Y421 HydrophobicContact CG1-CD2 4.04Å; V402-Y421 HydrophobicContact CG1-CE2 3.55Å; Q417-Y421 HydrophobicContact CG-CE1 4.12Å; Q417-Y421 HydrophobicContact CG-CE2 3.88Å; Q417-Y421 PolarHBondContact NE2-OH 3.21Å; Q417-Y421 PolarHBondContact O-N 2.94Å; L418-Y421 PolarHBondContact O-N 3.38Å; Y421-K423 VanDerWaalsContact C-N 3.29Å; Y421-K423 PolarHBondContact O-N 2.97Å; Y421-K424 WeakPolarHBondContact O-CB 3.42Å; Y421-K424 PolarHBondContact O-N 3.12Å; Y421-K424 VanDerWaalsContact O-N 3.14Å; Y421-E543 WeakPolarHBondContact CD1-O 3.32Å; Y421-E543 WeakPolarHBondContact CE1-O 3.4Å; Y421-Y545 AromaticContact CD2-CD1 3.94Å; Y421-Y545 HydrophobicContact CD2-CD1 3.94Å; Y421-Y545 AromaticContact CD2-CD2 3.75Å; Y421-Y545 HydrophobicContact CD2-CD2 3.75Å; Y421-Y545 HydrophobicContact CD2-CE1 4.04Å; Y421-Y545 AromaticContact CD2-CE2 3.83Å; Y421-Y545 HydrophobicContact CD2-CE2 3.83Å; Y421-Y545 AromaticContact CD2-CG 3.83Å; Y421-Y545 HydrophobicContact CD2-CG 3.83Å; Y421-Y545 AromaticContact CD2-CZ 4Å; Y421-Y545 AromaticContact CE2-CD1 3.82Å; Y421-Y545 HydrophobicContact CE2-CD1 3.82Å; Y421-Y545 HydrophobicContact CE2-CD2 4.41Å; Y421-Y545 HydrophobicContact CE2-CE1 4.09Å; Y421-Y545 HydrophobicContact CE2-CG 4.02Å; Y421-Y545 HydrophobicContact CG-CD2 4.34Å; Y421-P546 HydrophobicContact CE1-CG 4.49Å
422	L	90.7	Very high	83.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-36.1	-177.9	-67.5	168.5	0	0	0	112	L337 L418 F419 K424 L425 L428 I435 I527 L530 F544	L337-L422 HydrophobicContact CD1-CD1 4.13Å; L418-L422 HydrophobicContact CD1-CD1 4.1Å; L418-L422 HydrophobicContact CD1-CG 4.26Å; L418-L422 HydrophobicContact CG-CD1 4.15Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 3.22Å; F419-L422 PolarHBondContact O-N 3.48Å; L422-K424 PolarHBondContact O-N 3.25Å; L422-K424 VanDerWaalsContact O-N 3.12Å; L422-L425 WeakPolarHBondContact O-CB 3.39Å; L422-L425 PolarHBondContact O-N 3.08Å; L422-L428 HydrophobicContact CB-CD1 3.86Å; L422-L428 HydrophobicContact CB-CD2 4.08Å; L422-L428 WeakPolarHBondContact O-CD1 3.5Å; L422-I435 HydrophobicContact CD1-CD1 3.78Å; L422-I527 HydrophobicContact CD1-CD1 3.93Å; L422-I527 HydrophobicContact CD1-CG1 3.94Å; L422-I527 HydrophobicContact CD2-CG1 4.13Å; L422-L530 HydrophobicContact CD2-CD1 4.16Å; L422-F544 HydrophobicContact CD2-CE2 4.47Å
423	K	89.8	Confident	84.8	Confident	130 Å²	130	57.5 Å²	57.5	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-61.7	-20	179.4	-171.8	-177.4	173.7	-165.3	0	112.8	F419 A420 Y421 L425 L428	F419-K423 HydrophobicContact CE1-CD 4.08Å; F419-K423 VanDerWaalsContact O-CB 3.26Å; F419-K423 WeakPolarHBondContact O-CB 3.46Å; F419-K423 PolarHBondContact O-N 2.73Å; A420-K423 PolarHBondContact O-N 3.37Å; Y421-K423 VanDerWaalsContact C-N 3.29Å; Y421-K423 PolarHBondContact O-N 2.97Å; K423-L425 VanDerWaalsContact C-N 3.3Å; K423-L428 HydrophobicContact CB-CD1 4.5Å
424	K	88.7	Confident	85.2	Confident	74 Å²	74	53.6 Å²	53.6	32%	0.322	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.6	173.6	-59.3	-64.6	177.6	159.5	0	112.9	Y421 L422 G426 F541 E543	Y421-K424 WeakPolarHBondContact O-CB 3.42Å; Y421-K424 PolarHBondContact O-N 3.12Å; Y421-K424 VanDerWaalsContact O-N 3.14Å; L422-K424 PolarHBondContact O-N 3.25Å; L422-K424 VanDerWaalsContact O-N 3.12Å; K424-G426 VanDerWaalsContact C-N 3.31Å; K424-F541 HydrophobicContact CB-CB 4.42Å; K424-F541 HydrophobicContact CB-CD1 4.39Å; K424-F541 VanDerWaalsContact O-CD1 3.25Å; K424-F541 WeakPolarHBondContact O-CD1 3.41Å; K424-F541 WeakPolarHBondContact O-CE1 3.22Å; K424-E543 WeakPolarHBondContact CE-OE2 3.32Å; K424-E543 HydrophobicContact CG-CB 4.45Å; K424-E543 IonicContact NZ-OE1 3.15Å; K424-E543 PolarHBondContact NZ-OE1 3.45Å; K424-E543 IonicContact NZ-OE2 2.71Å; K424-E543 PolarHBondContact NZ-OE2 3.34Å
425	L	86.7	Confident	85.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.4	179.7	-56	179.1	0	0	0	113.4	W335 L422 K423 L530 L537 F541 F544	W335-L425 HydrophobicContact CH2-CB 4.04Å; W335-L425 HydrophobicContact CH2-CD1 4.5Å; L422-L425 WeakPolarHBondContact O-CB 3.39Å; L422-L425 PolarHBondContact O-N 3.08Å; K423-L425 VanDerWaalsContact C-N 3.3Å; L425-L530 HydrophobicContact CD1-CD1 3.72Å; L425-L530 HydrophobicContact CD1-CD2 3.95Å; L425-L530 HydrophobicContact CD1-CG 4.3Å; L425-L537 HydrophobicContact CD1-CD1 4.34Å; L425-L537 HydrophobicContact CD2-CD1 4.16Å; L425-L537 HydrophobicContact CD2-CD2 4.07Å; L425-F541 HydrophobicContact CD2-CD2 3.61Å; L425-F541 HydrophobicContact CD2-CE2 3.79Å; L425-F541 HydrophobicContact CD2-CG 4.2Å; L425-F541 HydrophobicContact CD2-CZ 4.5Å; L425-F544 HydrophobicContact CD1-CD2 3.94Å; L425-F544 HydrophobicContact CD1-CE2 3.52Å; L425-F544 HydrophobicContact CD1-CZ 4.08Å; L425-F544 HydrophobicContact CD2-CD2 4.14Å; L425-F544 HydrophobicContact CD2-CE2 4.49Å; L425-F544 HydrophobicContact CD2-CG 4.42Å; L425-F544 HydrophobicContact CG-CD2 3.97Å; L425-F544 HydrophobicContact CG-CE2 4.08Å
426	G	80.9	Confident	85.7	Confident	5 Å²	5	58 Å²	58	5%	0.052	28%	0.284	C	S	.	.	S	Bend	trans	147	-175.7	177.8	0	0	0	0	0	114	K424 L428	K424-G426 VanDerWaalsContact C-N 3.31Å; G426-L428 WeakPolarHBondContact O-CD1 3.5Å; G426-L428 PolarHBondContact O-N 3.31Å
427	P	76.6	Confident	85.9	Confident	63 Å²	63	56.6 Å²	56.6	41%	0.409	28%	0.28	S	S	.	.			trans	-72.8	118.9	-176.8	27	-33.2	0	0	0	112.9	N339	N339-P427 HydrophobicContact CB-CB 4.21Å; N339-P427 HydrophobicContact CB-CG 4.23Å; N339-P427 WeakPolarHBondContact CB-O 3.29Å; N339-P427 PolarHBondContact N-O 2.91Å
428	L	80.4	Confident	86.1	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	27%	0.265	C	S	.	.			trans	-120.4	31.6	177.9	-80.1	117.4	0	0	0	114.1	L337 F419 L422 K423 G426 D430 K431	L337-L428 HydrophobicContact CB-CD2 3.65Å; L337-L428 WeakPolarHBondContact O-CD2 3.4Å; L337-L428 VanDerWaalsContact O-CG 3.3Å; L337-L428 WeakPolarHBondContact O-CG 3.49Å; F419-L428 HydrophobicContact CE2-CB 4.06Å; F419-L428 VanDerWaalsContact CE2-O 3.31Å; F419-L428 WeakPolarHBondContact CE2-O 3.44Å; F419-L428 HydrophobicContact CZ-CB 4.45Å; L422-L428 HydrophobicContact CB-CD1 3.86Å; L422-L428 HydrophobicContact CB-CD2 4.08Å; L422-L428 WeakPolarHBondContact O-CD1 3.5Å; K423-L428 HydrophobicContact CB-CD1 4.5Å; G426-L428 WeakPolarHBondContact O-CD1 3.5Å; G426-L428 PolarHBondContact O-N 3.31Å; L428-D430 PolarHBondContact O-N 3.02Å; L428-K431 PolarHBondContact O-N 3.19Å
429	K	69.4	Low	86.2	Confident	151 Å²	151	53.8 Å²	53.8	66%	0.657	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	137.3	-175.8	-66	-174.3	179.4	-179.1	0	110.9	N339 K431	N339-K429 PolarHBondContact ND2-N 2.91Å; N339-K429 PolarHBondContact OD1-O 3.25Å; K429-K431 VanDerWaalsContact C-N 3.35Å; K429-K431 PolarHBondContact O-N 3.22Å
430	D	74.4	Confident	86.3	Confident	156 Å²	156	56.6 Å²	56.6	83%	0.834	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	21.7	175.2	-47.6	-40.8	0	0	0	116.8	L428	L428-D430 PolarHBondContact O-N 3.02Å
431	K	80	Confident	86.5	Confident	39 Å²	39	54.8 Å²	54.8	17%	0.17	27%	0.265	C	S	.	.			trans	-106.3	4.6	178.3	-55.5	-67.1	179.5	167	0	115.2	L337 L428 K429 N433 I434 I435	L337-K431 WeakPolarHBondContact O-CG 3.4Å; L428-K431 PolarHBondContact O-N 3.19Å; K429-K431 VanDerWaalsContact C-N 3.35Å; K429-K431 PolarHBondContact O-N 3.22Å; K431-N433 VanDerWaalsContact C-N 3.27Å; K431-N433 PolarHBondContact O-N 2.75Å; K431-I434 HydrophobicContact CB-CD1 4.14Å; K431-I434 HydrophobicContact CD-CD1 3.43Å; K431-I434 VanDerWaalsContact CD-CD1 3.43Å; K431-I434 HydrophobicContact CG-CD1 4.35Å; K431-I434 WeakPolarHBondContact O-CB 3.35Å; K431-I434 PolarHBondContact O-N 2.86Å; K431-I434 VanDerWaalsContact O-N 3.11Å; K431-I435 PolarHBondContact O-N 3.42Å
432	K	84	Confident	86.6	Confident	96 Å²	96	53.3 Å²	53.3	42%	0.417	26%	0.259	S	S	.	.	H	α-helix	trans	-55	-37.8	179.9	-74.8	-170.7	175.1	-168.3	0	113.5	F419 I434 I435 K436	F419-K432 HydrophobicContact CD1-CD 4.4Å; F419-K432 HydrophobicContact CD1-CG 4.02Å; F419-K432 HydrophobicContact CD2-CB 4.43Å; F419-K432 HydrophobicContact CD2-CG 3.54Å; F419-K432 HydrophobicContact CE1-CD 4.43Å; F419-K432 HydrophobicContact CE1-CG 4.07Å; F419-K432 HydrophobicContact CE2-CG 3.6Å; F419-K432 HydrophobicContact CG-CG 3.76Å; F419-K432 HydrophobicContact CZ-CG 3.87Å; K432-I434 VanDerWaalsContact C-N 3.34Å; K432-I434 PolarHBondContact O-N 3.1Å; K432-I435 PolarHBondContact O-N 3.25Å; K432-K436 PolarHBondContact O-N 3.25Å; K432-K436 VanDerWaalsContact O-N 3.1Å
433	N	87.6	Confident	86.6	Confident	112 Å²	112	54.2 Å²	54.2	60%	0.599	27%	0.265	S	S	*	.	H	α-helix	trans	-65.3	-37.2	-179.9	-68.7	-15.4	0	0	0	112.2	K431 I435 K436 D437	K431-N433 VanDerWaalsContact C-N 3.27Å; K431-N433 PolarHBondContact O-N 2.75Å; N433-I435 VanDerWaalsContact C-N 3.31Å; N433-I435 PolarHBondContact O-N 2.91Å; N433-K436 WeakPolarHBondContact O-CB 3.49Å; N433-K436 PolarHBondContact O-N 3.48Å; N433-D437 VanDerWaalsContact O-CG 3.29Å; N433-D437 PolarHBondContact O-N 3.49Å
434	I	88.6	Confident	86.7	Confident	20 Å²	20	52.1 Å²	52.1	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-40.3	176.7	-63.5	149.4	0	0	0	110.2	Y336 L337 K431 K432 K436 D437 V438 A523	Y336-I434 HydrophobicContact CD1-CD1 4.08Å; Y336-I434 HydrophobicContact CD1-CG2 4.45Å; Y336-I434 HydrophobicContact CE1-CD1 3.27Å; Y336-I434 HydrophobicContact CE1-CG1 3.88Å; Y336-I434 HydrophobicContact CE1-CG2 4.29Å; L337-I434 HydrophobicContact CD2-CB 4.34Å; L337-I434 HydrophobicContact CD2-CG2 3.8Å; K431-I434 HydrophobicContact CB-CD1 4.14Å; K431-I434 HydrophobicContact CD-CD1 3.43Å; K431-I434 VanDerWaalsContact CD-CD1 3.43Å; K431-I434 HydrophobicContact CG-CD1 4.35Å; K431-I434 WeakPolarHBondContact O-CB 3.35Å; K431-I434 PolarHBondContact O-N 2.86Å; K431-I434 VanDerWaalsContact O-N 3.11Å; K432-I434 VanDerWaalsContact C-N 3.34Å; K432-I434 PolarHBondContact O-N 3.1Å; I434-K436 VanDerWaalsContact C-N 3.33Å; I434-K436 PolarHBondContact O-N 2.05Å; I434-D437 PolarHBondContact O-N 2.98Å; I434-V438 HydrophobicContact CG2-CG2 4.36Å; I434-V438 VanDerWaalsContact O-CG2 3.27Å; I434-V438 WeakPolarHBondContact O-CG2 3.48Å; I434-V438 PolarHBondContact O-N 2.84Å; I434-A523 HydrophobicContact CG2-CB 4.11Å
435	I	91	Very high	87	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-39.8	176.9	-63.3	-175.1	0	0	0	111.4	L337 A415 L418 F419 L422 K431 K432 N433 D437 V438 L439	L337-I435 HydrophobicContact CD2-CG1 4.46Å; A415-I435 HydrophobicContact CB-CG2 4.31Å; L418-I435 HydrophobicContact CB-CG2 4.06Å; L418-I435 HydrophobicContact CD2-CG2 3.83Å; L418-I435 HydrophobicContact CG-CG2 3.95Å; F419-I435 HydrophobicContact CB-CD1 3.7Å; F419-I435 HydrophobicContact CD2-CD1 3.61Å; F419-I435 HydrophobicContact CG-CD1 4.14Å; L422-I435 HydrophobicContact CD1-CD1 3.78Å; K431-I435 PolarHBondContact O-N 3.42Å; K432-I435 PolarHBondContact O-N 3.25Å; N433-I435 VanDerWaalsContact C-N 3.31Å; N433-I435 PolarHBondContact O-N 2.91Å; I435-D437 VanDerWaalsContact C-N 3.33Å; I435-D437 PolarHBondContact O-N 2.87Å; I435-V438 PolarHBondContact O-N 3.38Å; I435-L439 HydrophobicContact CG2-CD1 4.34Å; I435-L439 WeakPolarHBondContact O-CG 3.04Å; I435-L439 PolarHBondContact O-N 3.22Å
436	K	90.8	Very high	87.2	Confident	99 Å²	99	51.9 Å²	51.9	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-44.1	173.3	-69.4	178.2	178.7	-178	0	111.3	A415 K432 N433 I434 L439 Q440	A415-K436 HydrophobicContact CB-CG 3.78Å; K432-K436 PolarHBondContact O-N 3.25Å; K432-K436 VanDerWaalsContact O-N 3.1Å; N433-K436 WeakPolarHBondContact O-CB 3.49Å; N433-K436 PolarHBondContact O-N 3.48Å; I434-K436 VanDerWaalsContact C-N 3.33Å; I434-K436 PolarHBondContact O-N 2.05Å; K436-L439 PolarHBondContact O-N 3.33Å; K436-Q440 PolarHBondContact O-N 3.15Å
437	D	92.8	Very high	87.7	Confident	71 Å²	71	55.8 Å²	55.8	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-67.8	-36.3	178.9	-62.3	-19	0	0	0	112.1	N433 I434 I435 Q440 L441 N520	N433-D437 VanDerWaalsContact O-CG 3.29Å; N433-D437 PolarHBondContact O-N 3.49Å; I434-D437 PolarHBondContact O-N 2.98Å; I435-D437 VanDerWaalsContact C-N 3.33Å; I435-D437 PolarHBondContact O-N 2.87Å; D437-Q440 PolarHBondContact O-N 3.3Å; D437-L441 PolarHBondContact O-N 3.06Å; D437-N520 VanDerWaalsContact CB-ND2 3.32Å; D437-N520 WeakPolarHBondContact CB-ND2 3.29Å
438	V	94.3	Very high	88.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-43.2	172.9	169.6	0	0	0	0	111.2	F399 I434 I435 Q440 L441 H442 N520 A523 M524 I527	F399-V438 HydrophobicContact CD1-CG1 4.33Å; F399-V438 HydrophobicContact CE1-CG1 3.54Å; F399-V438 HydrophobicContact CZ-CG1 3.99Å; I434-V438 HydrophobicContact CG2-CG2 4.36Å; I434-V438 VanDerWaalsContact O-CG2 3.27Å; I434-V438 WeakPolarHBondContact O-CG2 3.48Å; I434-V438 PolarHBondContact O-N 2.84Å; I435-V438 PolarHBondContact O-N 3.38Å; V438-Q440 VanDerWaalsContact C-N 3.3Å; V438-Q440 PolarHBondContact O-N 3.44Å; V438-L441 WeakPolarHBondContact O-CB 3.25Å; V438-L441 PolarHBondContact O-N 2.96Å; V438-H442 WeakPolarHBondContact O-CB 3.04Å; V438-H442 PolarHBondContact O-N 3.12Å; V438-N520 HydrophobicContact CG2-CB 4.04Å; V438-A523 HydrophobicContact CG2-CB 3.73Å; V438-M524 HydrophobicContact CG1-CB 3.99Å; V438-M524 HydrophobicContact CG1-CG 4.07Å; V438-I527 HydrophobicContact CG1-CD1 4.4Å
439	L	91.9	Very high	88.9	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-67.5	-32.1	176	-74.1	171.9	0	0	0	112.5	F399 A414 A415 L418 I435 K436 H442 S443	F399-L439 HydrophobicContact CB-CD2 4.49Å; F399-L439 HydrophobicContact CD1-CD2 4.08Å; A414-L439 HydrophobicContact CB-CD1 4.07Å; A415-L439 HydrophobicContact CB-CD1 3.67Å; A415-L439 VanDerWaalsContact N-CD1 3.35Å; L418-L439 HydrophobicContact CD2-CD2 4.25Å; L418-L439 HydrophobicContact CD2-CG 4.39Å; I435-L439 HydrophobicContact CG2-CD1 4.34Å; I435-L439 WeakPolarHBondContact O-CG 3.04Å; I435-L439 PolarHBondContact O-N 3.22Å; K436-L439 PolarHBondContact O-N 3.33Å; L439-H442 WeakPolarHBondContact O-CB 3.39Å; L439-S443 PolarHBondContact O-N 3.44Å
440	Q	91.9	Very high	89.7	Confident	82 Å²	82	54 Å²	54	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-67.8	-41.5	172	-176.9	62.1	20.9	0	0	111.4	K436 D437 V438 S443 Q444	K436-Q440 PolarHBondContact O-N 3.15Å; D437-Q440 PolarHBondContact O-N 3.3Å; V438-Q440 VanDerWaalsContact C-N 3.3Å; V438-Q440 PolarHBondContact O-N 3.44Å; Q440-S443 VanDerWaalsContact O-CB 3.32Å; Q440-S443 WeakPolarHBondContact O-CB 3.38Å; Q440-S443 PolarHBondContact O-N 3.01Å; Q440-Q444 WeakPolarHBondContact O-CG 3.35Å; Q440-Q444 PolarHBondContact O-N 2.86Å
441	L	94.1	Very high	89.9	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.047	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-45	173.6	-179.5	60.7	0	0	0	111.3	D437 V438 S443 Q444 I445 I507 A511 N520 L521 M524	D437-L441 PolarHBondContact O-N 3.06Å; V438-L441 WeakPolarHBondContact O-CB 3.25Å; V438-L441 PolarHBondContact O-N 2.96Å; L441-S443 VanDerWaalsContact C-N 3.27Å; L441-S443 PolarHBondContact O-N 3.5Å; L441-Q444 WeakPolarHBondContact O-CB 3.13Å; L441-Q444 PolarHBondContact O-N 3.33Å; L441-Q444 VanDerWaalsContact O-N 3.14Å; L441-I445 HydrophobicContact CD1-CD1 4.39Å; L441-I445 HydrophobicContact CG-CD1 4.09Å; L441-I445 WeakPolarHBondContact O-CG1 3.46Å; L441-I445 PolarHBondContact O-N 3.11Å; L441-I507 HydrophobicContact CD1-CG2 3.57Å; L441-A511 HydrophobicContact CD1-CB 4.32Å; L441-N520 HydrophobicContact CD2-CB 4.27Å; L441-L521 HydrophobicContact CD2-CD2 3.88Å; L441-L521 HydrophobicContact CD2-CG 4.45Å; L441-M524 HydrophobicContact CD2-CE 4.2Å; L441-M524 HydrophobicContact CD2-SD 4.17Å; L441-M524 HydrophobicContact CG-SD 4.38Å
442	H	93.2	Very high	90.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-53.6	-44.6	171.4	167.2	-125	0	0	0	111.6	F399 D400 V438 L439 Q444 I445 K446	F399-H442 HydrophobicContact CB-CB 4.3Å; F399-H442 WeakPolarHBondContact CB-ND1 3.4Å; F399-H442 HydrophobicContact CG-CB 4.29Å; D400-H442 IonicContact OD1-CE1 2.65Å; D400-H442 IonicContact OD1-NE2 2.67Å; D400-H442 PolarHBondContact OD1-NE2 3.18Å; V438-H442 WeakPolarHBondContact O-CB 3.04Å; V438-H442 PolarHBondContact O-N 3.12Å; L439-H442 WeakPolarHBondContact O-CB 3.39Å; H442-Q444 VanDerWaalsContact C-N 3.35Å; H442-Q444 PolarHBondContact O-N 2.97Å; H442-I445 PolarHBondContact O-N 3.39Å; H442-K446 WeakPolarHBondContact O-CB 3.21Å; H442-K446 PolarHBondContact O-N 3.19Å
443	S	90.8	Very high	90.3	Very high	20 Å²	20	51.6 Å²	51.6	14%	0.14	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-42.6	176.7	-172.1	0	0	0	0	113.3	M406 L439 Q440 L441 S447	M406-S443 VanDerWaalsContact CE-CA 3.45Å; M406-S443 WeakPolarHBondContact CE-OG 3.44Å; M406-S443 WeakPolarHBondContact SD-CB 2.97Å; M406-S443 PolarHBondContact SD-OG 3.22Å; M406-S443 VanDerWaalsContact SD-OG 3.4Å; L439-S443 PolarHBondContact O-N 3.44Å; Q440-S443 VanDerWaalsContact O-CB 3.32Å; Q440-S443 WeakPolarHBondContact O-CB 3.38Å; Q440-S443 PolarHBondContact O-N 3.01Å; L441-S443 VanDerWaalsContact C-N 3.27Å; L441-S443 PolarHBondContact O-N 3.5Å; S443-S447 WeakPolarHBondContact O-CB 3.32Å; S443-S447 PolarHBondContact O-N 3.36Å; S443-S447 PolarHBondContact O-OG 2.71Å
444	Q	93.4	Very high	90.5	Very high	85 Å²	85	48.3 Å²	48.3	40%	0.397	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-47.4	178	-70.4	172.7	-13.9	0	0	110.3	Q440 L441 H442 S447 A448 I507	Q440-Q444 WeakPolarHBondContact O-CG 3.35Å; Q440-Q444 PolarHBondContact O-N 2.86Å; L441-Q444 WeakPolarHBondContact O-CB 3.13Å; L441-Q444 PolarHBondContact O-N 3.33Å; L441-Q444 VanDerWaalsContact O-N 3.14Å; H442-Q444 VanDerWaalsContact C-N 3.35Å; H442-Q444 PolarHBondContact O-N 2.97Å; Q444-S447 PolarHBondContact O-N 3.46Å; Q444-S447 PolarHBondContact O-OG 3.04Å; Q444-A448 PolarHBondContact O-N 2.97Å; Q444-A448 VanDerWaalsContact O-N 3.08Å; Q444-I507 HydrophobicContact CB-CD1 4.24Å; Q444-I507 HydrophobicContact CB-CG2 4.25Å; Q444-I507 WeakPolarHBondContact O-CD1 3.45Å
445	I	94.6	Very high	90.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-51.3	177.8	-64.8	165.1	0	0	0	110.5	L396 L441 H442 S447 A448 I449 V504 I507 H508 M524	L396-I445 HydrophobicContact CD1-CG2 3.89Å; L396-I445 HydrophobicContact CD2-CG2 4.04Å; L441-I445 HydrophobicContact CD1-CD1 4.39Å; L441-I445 HydrophobicContact CG-CD1 4.09Å; L441-I445 WeakPolarHBondContact O-CG1 3.46Å; L441-I445 PolarHBondContact O-N 3.11Å; H442-I445 PolarHBondContact O-N 3.39Å; I445-S447 VanDerWaalsContact C-N 3.27Å; I445-S447 PolarHBondContact O-N 3.31Å; I445-A448 WeakPolarHBondContact O-CB 3.39Å; I445-A448 PolarHBondContact O-N 3.19Å; I445-I449 HydrophobicContact CG2-CD1 4.02Å; I445-I449 WeakPolarHBondContact O-CG1 3.31Å; I445-I449 PolarHBondContact O-N 2.04Å; I445-V504 HydrophobicContact CG1-CG1 4.38Å; I445-V504 HydrophobicContact CG2-CG1 3.71Å; I445-V504 HydrophobicContact CG2-CG2 4.05Å; I445-I507 HydrophobicContact CG1-CG2 3.9Å; I445-H508 VanDerWaalsContact CD1-CE1 3.44Å; I445-H508 WeakPolarHBondContact CD1-CE1 3.47Å; I445-M524 HydrophobicContact CD1-CE 3.93Å; I445-M524 HydrophobicContact CD1-SD 3.99Å
446	K	91.5	Very high	90.9	Very high	70 Å²	70	53.4 Å²	53.4	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-58.6	-37.6	179.5	-171.9	169.5	-177.4	169.3	0	112.4	L396 D400 M406 H442 A448 I449	L396-K446 HydrophobicContact CD1-CB 4.07Å; D400-K446 IonicContact OD1-NZ 3.56Å; D400-K446 PolarHBondContact OD1-NZ 3.5Å; M406-K446 HydrophobicContact CE-CB 4.25Å; M406-K446 HydrophobicContact CE-CD 3.85Å; M406-K446 HydrophobicContact CE-CG 4.46Å; H442-K446 WeakPolarHBondContact O-CB 3.21Å; H442-K446 PolarHBondContact O-N 3.19Å; K446-A448 VanDerWaalsContact C-N 3.34Å; K446-I449 PolarHBondContact O-N 3.28Å
447	S	90.8	Very high	91.1	Very high	86 Å²	86	55 Å²	55	60%	0.601	32%	0.32	S	S	*	.	H	α-helix	trans	-71.6	-26.2	176.9	72.1	0	0	0	0	114.1	S443 Q444 I445	S443-S447 WeakPolarHBondContact O-CB 3.32Å; S443-S447 PolarHBondContact O-N 3.36Å; S443-S447 PolarHBondContact O-OG 2.71Å; Q444-S447 PolarHBondContact O-N 3.46Å; Q444-S447 PolarHBondContact O-OG 3.04Å; I445-S447 VanDerWaalsContact C-N 3.27Å; I445-S447 PolarHBondContact O-N 3.31Å
448	A	92	Very high	91.2	Very high	13 Å²	13	52.3 Å²	52.3	11%	0.107	31%	0.306	C	S	.	.	H	α-helix	trans	-80.5	-23.1	177.8	0	0	0	0	0	113	Q444 I445 K446 Q450 K503 V504 I507	Q444-A448 PolarHBondContact O-N 2.97Å; Q444-A448 VanDerWaalsContact O-N 3.08Å; I445-A448 WeakPolarHBondContact O-CB 3.39Å; I445-A448 PolarHBondContact O-N 3.19Å; K446-A448 VanDerWaalsContact C-N 3.34Å; A448-Q450 PolarHBondContact O-N 3.05Å; A448-K503 HydrophobicContact CB-CB 4Å; A448-V504 HydrophobicContact CB-CG2 4.36Å; A448-I507 HydrophobicContact CB-CD1 3.52Å
449	I	90.3	Very high	91.2	Very high	42 Å²	42	56 Å²	56	22%	0.215	33%	0.329	C	S	.	.			trans	-74.6	105.4	177	-67.2	168.5	0	0	0	109.3	L393 L396 I445 K446 P451 V504	L393-I449 HydrophobicContact CD1-CB 4.39Å; L393-I449 HydrophobicContact CD1-CG1 4.17Å; L393-I449 HydrophobicContact CD1-CG2 3.61Å; L396-I449 HydrophobicContact CD1-CD1 3.92Å; I445-I449 HydrophobicContact CG2-CD1 4.02Å; I445-I449 WeakPolarHBondContact O-CG1 3.31Å; I445-I449 PolarHBondContact O-N 2.04Å; K446-I449 PolarHBondContact O-N 3.28Å; I449-P451 HydrophobicContact CG2-CG 4.05Å; I449-V504 HydrophobicContact CD1-CG2 4.39Å; I449-V504 HydrophobicContact CG1-CG2 3.76Å
450	Q	84.8	Confident	91.1	Very high	124 Å²	124	57.4 Å²	57.4	58%	0.579	34%	0.338	S	S	*	.			trans	-121.5	92.7	169.6	-68.6	179.3	-31.6	0	0	107.2	A448 S452 S500	A448-Q450 PolarHBondContact O-N 3.05Å; Q450-S452 PolarHBondContact O-N 2.82Å; Q450-S452 VanDerWaalsContact O-N 3.09Å; Q450-S500 PolarHBondContact N-OG 3.47Å; Q450-S500 VanDerWaalsContact N-OG 3.08Å; Q450-S500 PolarHBondContact O-OG 3.16Å
451	P	80.5	Confident	91.1	Very high	99 Å²	99	59.4 Å²	59.4	64%	0.643	35%	0.347	S	S	*	.			trans	-62.7	115.4	-179.8	-17.9	30.9	0	0	0	109	I449	I449-P451 HydrophobicContact CG2-CG 4.05Å
452	S	86.3	Confident	91.1	Very high	85 Å²	85	62.6 Å²	62.6	59%	0.594	36%	0.361	S	S	*	.			trans	-92	-14.8	170.9	63.3	0	0	0	0	111.4	Q450 S454 D497	Q450-S452 PolarHBondContact O-N 2.82Å; Q450-S452 VanDerWaalsContact O-N 3.09Å; S452-S454 PolarHBondContact O-N 3.38Å; S452-S454 VanDerWaalsContact OG-CB 3.3Å; S452-S454 WeakPolarHBondContact OG-CB 3.43Å; S452-S454 PolarHBondContact OG-N 2.85Å; S452-S454 PolarHBondContact OG-OG 3.06Å; S452-D497 PolarHBondContact N-OD1 2.88Å; S452-D497 PolarHBondContact OG-OD1 3.19Å
453	G	86.1	Confident	91.3	Very high	58 Å²	58	62.6 Å²	62.6	60%	0.598	36%	0.361	S	S	*	.			trans	71.7	13	-171.2	0	0	0	0	0	112.3	V455 D497	G453-V455 PolarHBondContact O-N 2.92Å; G453-D497 PolarHBondContact N-OD1 2.85Å
454	S	90.6	Very high	91.5	Very high	42 Å²	42	64.3 Å²	64.3	29%	0.294	37%	0.368	S	S	.	.			trans	-68.8	131.3	178	60.6	0	0	0	0	110.6	S452 H496 D497	S452-S454 PolarHBondContact O-N 3.38Å; S452-S454 VanDerWaalsContact OG-CB 3.3Å; S452-S454 WeakPolarHBondContact OG-CB 3.43Å; S452-S454 PolarHBondContact OG-N 2.85Å; S452-S454 PolarHBondContact OG-OG 3.06Å; S454-H496 CarbonylContact O-C 3.41Å; S454-H496 WeakPolarHBondContact O-CA 3.17Å; S454-D497 PolarHBondContact O-N 2.76Å
455	V	92.6	Very high	91.6	Very high	86 Å²	86	66.2 Å²	66.2	52%	0.521	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.3	177.3	-174.6	0	0	0	0	107.4	G453 I494	G453-V455 PolarHBondContact O-N 2.92Å; V455-I494 HydrophobicContact CG1-CG2 3.26Å
456	S	94.8	Very high	91.7	Very high	43 Å²	43	66.2 Å²	66.2	30%	0.301	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130	-176.3	-68.3	0	0	0	0	111.3	I494 V495	S456-I494 WeakPolarHBondContact O-CA 3.44Å; S456-V495 PolarHBondContact N-O 3.42Å; S456-V495 PolarHBondContact O-N 3.18Å
457	K	95.2	Very high	91.9	Very high	131 Å²	131	62.9 Å²	62.9	57%	0.57	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	128.4	168.5	-178.1	176.1	175.6	172.9	0	109.7	E492 I493 I494	K457-E492 WeakPolarHBondContact CD-OE2 3.48Å; K457-E492 VanDerWaalsContact CE-OE2 3.22Å; K457-E492 WeakPolarHBondContact CE-OE2 3.48Å; K457-E492 IonicContact NZ-OE1 3.47Å; K457-E492 PolarHBondContact NZ-OE1 2.74Å; K457-E492 IonicContact NZ-OE2 3.19Å; K457-E492 PolarHBondContact NZ-OE2 3.31Å; K457-I493 WeakPolarHBondContact CA-O 3.28Å; K457-I494 HydrophobicContact CB-CD1 3.63Å; K457-I494 HydrophobicContact CG-CD1 4.02Å
458	V	96	Very high	92.2	Very high	15 Å²	15	63.4 Å²	63.4	9%	0.091	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	156	-176.4	-57	0	0	0	0	111	K462 L463 I466 I493 V495	V458-K462 HydrophobicContact CB-CB 4.15Å; V458-K462 HydrophobicContact CB-CG 4.16Å; V458-K462 HydrophobicContact CG1-CG 4.23Å; V458-L463 HydrophobicContact CG2-CB 4.29Å; V458-I466 HydrophobicContact CG1-CD1 4.09Å; V458-I493 HydrophobicContact CG2-CB 4.08Å; V458-I493 HydrophobicContact CG2-CG2 3.79Å; V458-I493 PolarHBondContact N-O 2.94Å; V458-V495 HydrophobicContact CG1-CB 4.39Å; V458-V495 HydrophobicContact CG1-CG2 4.23Å; V458-V495 HydrophobicContact CG2-CB 4.45Å; V458-V495 HydrophobicContact CG2-CG2 3.51Å
459	T	93.7	Very high	92.3	Very high	78 Å²	78	64.1 Å²	64.1	48%	0.479	37%	0.366	S	S	.	.			trans	-84.4	164.9	167.5	75.4	0	0	0	0	110.4	E461 K462 L463	T459-E461 VanDerWaalsContact C-N 3.25Å; T459-E461 WeakPolarHBondContact CB-OE2 3.2Å; T459-E461 PolarHBondContact O-N 3.39Å; T459-E461 PolarHBondContact OG1-N 2.95Å; T459-E461 PolarHBondContact OG1-OE2 3.08Å; T459-K462 PolarHBondContact O-N 3.33Å; T459-K462 VanDerWaalsContact O-N 3.1Å; T459-K462 PolarHBondContact OG1-N 3.1Å; T459-L463 PolarHBondContact O-N 2.84Å
460	T	89.3	Confident	92.5	Very high	37 Å²	37	62.2 Å²	62.2	23%	0.227	36%	0.356	C	S	.	.	H	α-helix	trans	-59.5	-36.8	174.7	-52	0	0	0	0	111.9	L463 L464 N473	T460-L463 PolarHBondContact O-N 2.94Å; T460-L464 WeakPolarHBondContact O-CG 3.36Å; T460-L464 PolarHBondContact O-N 3.46Å; T460-N473 WeakPolarHBondContact CG2-OD1 3.45Å
461	E	92.8	Very high	93	Very high	125 Å²	125	59.6 Å²	59.6	58%	0.584	35%	0.346	S	S	*	.	H	α-helix	trans	-63.9	-43.5	174.5	-57.6	73.3	-158	0	0	110.7	T459 L463 L464 E465	T459-E461 VanDerWaalsContact C-N 3.25Å; T459-E461 WeakPolarHBondContact CB-OE2 3.2Å; T459-E461 PolarHBondContact O-N 3.39Å; T459-E461 PolarHBondContact OG1-N 2.95Å; T459-E461 PolarHBondContact OG1-OE2 3.08Å; E461-L463 VanDerWaalsContact C-N 3.31Å; E461-L463 PolarHBondContact O-N 2.93Å; E461-L464 WeakPolarHBondContact O-CB 3.35Å; E461-L464 PolarHBondContact O-N 2.69Å; E461-E465 PolarHBondContact O-N 3.25Å
462	K	95	Very high	93.8	Very high	76 Å²	76	54.9 Å²	54.9	33%	0.33	32%	0.315	S	S	.	.	H	α-helix	trans	-67.1	-34.4	177.5	-173.7	58.4	-180	179.2	0	112	V458 T459 E465 I466	V458-K462 HydrophobicContact CB-CB 4.15Å; V458-K462 HydrophobicContact CB-CG 4.16Å; V458-K462 HydrophobicContact CG1-CG 4.23Å; T459-K462 PolarHBondContact O-N 3.33Å; T459-K462 VanDerWaalsContact O-N 3.1Å; T459-K462 PolarHBondContact OG1-N 3.1Å; K462-E465 HydrophobicContact CD-CB 4.38Å; K462-E465 VanDerWaalsContact CD-OE2 3.23Å; K462-E465 WeakPolarHBondContact CD-OE2 3.27Å; K462-E465 IonicContact NZ-OE2 2.75Å; K462-E465 PolarHBondContact NZ-OE2 3.17Å; K462-E465 WeakPolarHBondContact O-CB 3.4Å; K462-E465 PolarHBondContact O-N 3.49Å; K462-I466 HydrophobicContact CG-CD1 4.21Å; K462-I466 WeakPolarHBondContact O-CD1 3.25Å; K462-I466 VanDerWaalsContact O-CG1 3.23Å; K462-I466 WeakPolarHBondContact O-CG1 2.96Å; K462-I466 PolarHBondContact O-N 3.03Å
463	L	95.8	Very high	94.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-42.4	174.3	-174	66.3	0	0	0	111.8	V458 T459 T460 E461 E465 I466 C467 W472 F476 I493 V495	V458-L463 HydrophobicContact CG2-CB 4.29Å; T459-L463 PolarHBondContact O-N 2.84Å; T460-L463 PolarHBondContact O-N 2.94Å; E461-L463 VanDerWaalsContact C-N 3.31Å; E461-L463 PolarHBondContact O-N 2.93Å; L463-E465 VanDerWaalsContact C-N 3.29Å; L463-E465 PolarHBondContact O-N 3.43Å; L463-I466 PolarHBondContact O-N 3.22Å; L463-I466 VanDerWaalsContact O-N 3.13Å; L463-C467 PolarHBondContact O-N 3.27Å; L463-W472 HydrophobicContact CD1-CD2 4.45Å; L463-W472 HydrophobicContact CD1-CH2 4.46Å; L463-W472 HydrophobicContact CD1-CZ2 4.06Å; L463-W472 HydrophobicContact CD2-CB 4.1Å; L463-W472 HydrophobicContact CD2-CD2 3.4Å; L463-W472 VanDerWaalsContact CD2-CD2 3.4Å; L463-W472 HydrophobicContact CD2-CE3 3.65Å; L463-W472 HydrophobicContact CD2-CG 3.59Å; L463-W472 HydrophobicContact CD2-CZ2 4.45Å; L463-W472 HydrophobicContact CD2-CZ3 4.27Å; L463-W472 HydrophobicContact CG-CD2 3.73Å; L463-W472 HydrophobicContact CG-CE3 4.35Å; L463-W472 HydrophobicContact CG-CG 3.87Å; L463-W472 HydrophobicContact CG-CZ2 4.16Å; L463-W472 PolarHBondContact O-NE1 3.18Å; L463-F476 HydrophobicContact CD2-CE2 4.05Å; L463-F476 HydrophobicContact CD2-CZ 3.77Å; L463-I493 HydrophobicContact CD2-CD1 4.27Å; L463-I493 HydrophobicContact CD2-CG2 4.16Å; L463-V495 HydrophobicContact CD1-CG2 3.68Å
464	L	95.2	Very high	94.4	Very high	56 Å²	56	55.2 Å²	55.2	29%	0.293	30%	0.299	S	S	.	.	H	α-helix	trans	-60.8	-36.6	172	-75.1	162.5	0	0	0	111.9	T460 E461 C467 P468	T460-L464 WeakPolarHBondContact O-CG 3.36Å; T460-L464 PolarHBondContact O-N 3.46Å; E461-L464 WeakPolarHBondContact O-CB 3.35Å; E461-L464 PolarHBondContact O-N 2.69Å; L464-C467 CarbonylContact O-C 3.49Å; L464-P468 WeakPolarHBondContact O-CA 3.39Å; L464-P468 WeakPolarHBondContact O-CB 3.25Å; L464-P468 WeakPolarHBondContact O-CD 3.41Å
465	E	95.4	Very high	94.7	Very high	125 Å²	125	53.3 Å²	53.3	58%	0.584	29%	0.285	S	S	*	.	H	α-helix	trans	-68.5	-34.7	172.4	-69	-179.7	-177.9	0	0	113.3	E461 K462 L463	E461-E465 PolarHBondContact O-N 3.25Å; K462-E465 HydrophobicContact CD-CB 4.38Å; K462-E465 VanDerWaalsContact CD-OE2 3.23Å; K462-E465 WeakPolarHBondContact CD-OE2 3.27Å; K462-E465 IonicContact NZ-OE2 2.75Å; K462-E465 PolarHBondContact NZ-OE2 3.17Å; K462-E465 WeakPolarHBondContact O-CB 3.4Å; K462-E465 PolarHBondContact O-N 3.49Å; L463-E465 VanDerWaalsContact C-N 3.29Å; L463-E465 PolarHBondContact O-N 3.43Å
466	I	96.4	Very high	94.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.5	-43.4	-179.5	-69.1	157.8	0	0	0	110.7	V458 K462 L463 V495 Q498 L501 R502	V458-I466 HydrophobicContact CG1-CD1 4.09Å; K462-I466 HydrophobicContact CG-CD1 4.21Å; K462-I466 WeakPolarHBondContact O-CD1 3.25Å; K462-I466 VanDerWaalsContact O-CG1 3.23Å; K462-I466 WeakPolarHBondContact O-CG1 2.96Å; K462-I466 PolarHBondContact O-N 3.03Å; L463-I466 PolarHBondContact O-N 3.22Å; L463-I466 VanDerWaalsContact O-N 3.13Å; I466-V495 HydrophobicContact CD1-CG2 4.39Å; I466-Q498 VanDerWaalsContact CD1-CD 3.45Å; I466-Q498 HydrophobicContact CD1-CG 3.58Å; I466-Q498 HydrophobicContact CG1-CG 3.72Å; I466-Q498 HydrophobicContact CG2-CG 4.17Å; I466-L501 HydrophobicContact CG2-CB 4.42Å; I466-L501 HydrophobicContact CG2-CD2 3.95Å; I466-L501 HydrophobicContact CG2-CG 4.1Å; I466-R502 HydrophobicContact CG2-CB 4.43Å
467	C	97.4	Very high	94.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.			trans	-142	88.2	176.7	-173.3	0	0	0	0	110.7	L463 L464 L469 I470 W472 C505	L463-C467 PolarHBondContact O-N 3.27Å; L464-C467 CarbonylContact O-C 3.49Å; C467-L469 PolarHBondContact O-N 3.06Å; C467-I470 PolarHBondContact O-N 3.12Å; C467-W472 HydrophobicContact CB-CZ2 4.09Å; C467-W472 PolarHBondContact O-NE1 2.96Å; C467-C505 WeakPolarHBondContact CA-SG 3.31Å; C467-C505 HydrophobicContact CB-CB 3.65Å; C467-C505 WeakPolarHBondContact CB-SG 3.38Å; C467-C505 WeakPolarHBondContact SG-CB 3.46Å; C467-C505 CovalentContact SG-SG 2.04Å; C467-C505 PolarHBondContact SG-SG 3.17Å
468	P	95.4	Very high	94.7	Very high	96 Å²	96	46.5 Å²	46.5	62%	0.623	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.5	-178.1	28.2	-35	0	0	0	113	L464 I470	L464-P468 WeakPolarHBondContact O-CA 3.39Å; L464-P468 WeakPolarHBondContact O-CB 3.25Å; L464-P468 WeakPolarHBondContact O-CD 3.41Å; P468-I470 PolarHBondContact O-N 3.34Å
469	L	93.9	Very high	94.5	Very high	29 Å²	29	45.8 Å²	45.8	15%	0.152	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.8	179.7	-157.3	65.7	0	0	0	113.2	L360 C467 C505 H508 A509 M512	L360-L469 HydrophobicContact CB-CG 4.49Å; L360-L469 HydrophobicContact CD2-CD2 3.27Å; L360-L469 HydrophobicContact CD2-CG 3.7Å; C467-L469 PolarHBondContact O-N 3.06Å; L469-C505 VanDerWaalsContact CB-SG 3.58Å; L469-H508 HydrophobicContact CD2-CB 3.39Å; L469-A509 HydrophobicContact CD1-CB 3.98Å; L469-A509 HydrophobicContact CD2-CB 4.26Å; L469-M512 HydrophobicContact CD1-CE 3.18Å; L469-M512 HydrophobicContact CD1-CG 4.25Å; L469-M512 HydrophobicContact CD1-SD 3.52Å; L469-M512 VanDerWaalsContact CD1-SD 3.52Å; L469-M512 HydrophobicContact CD2-SD 4.25Å; L469-M512 HydrophobicContact CG-CE 4.2Å; L469-M512 HydrophobicContact CG-SD 3.95Å
470	I	96.3	Very high	94.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	-107	120.5	-179.8	-58.5	-58.4	0	0	0	108.5	L360 L364 L376 F377 C467 P468 W472 L475	L360-I470 HydrophobicContact CB-CD1 4.36Å; L360-I470 HydrophobicContact CD2-CD1 3.99Å; L360-I470 HydrophobicContact CG-CD1 4.03Å; L364-I470 HydrophobicContact CD1-CD1 4.06Å; L376-I470 HydrophobicContact CD2-CD1 3.8Å; L376-I470 HydrophobicContact CD2-CG1 3.69Å; F377-I470 HydrophobicContact CE1-CD1 4.22Å; F377-I470 HydrophobicContact CE1-CG1 4.07Å; F377-I470 HydrophobicContact CE1-CG2 4.35Å; C467-I470 PolarHBondContact O-N 3.12Å; P468-I470 PolarHBondContact O-N 3.34Å; I470-W472 VanDerWaalsContact C-N 3.28Å; I470-W472 HydrophobicContact CB-CD2 4.24Å; I470-W472 HydrophobicContact CB-CZ2 4.07Å; I470-W472 HydrophobicContact CG1-CZ2 4.42Å; I470-W472 HydrophobicContact CG2-CD2 3.79Å; I470-W472 HydrophobicContact CG2-CE3 3.99Å; I470-W472 HydrophobicContact CG2-CG 4.24Å; I470-W472 HydrophobicContact CG2-CH2 4.4Å; I470-W472 HydrophobicContact CG2-CZ2 4.21Å; I470-W472 HydrophobicContact CG2-CZ3 4.29Å; I470-W472 PolarHBondContact O-N 3.02Å; I470-W472 PolarHBondContact O-NE1 3.16Å; I470-L475 HydrophobicContact CG2-CD2 4.22Å
471	D	95.4	Very high	94.5	Very high	70 Å²	70	47.7 Å²	47.7	37%	0.374	24%	0.237	S	C	.	.			trans	-70.5	88	163.6	-168.6	-28.4	0	0	0	109.6	T361 N473 V474 L475	T361-D471 PolarHBondContact OG1-N 3.15Å; D471-N473 VanDerWaalsContact C-N 3.28Å; D471-N473 PolarHBondContact O-N 3.49Å; D471-N473 PolarHBondContact OD1-N 3.43Å; D471-V474 HydrophobicContact CB-CB 4.1Å; D471-V474 HydrophobicContact CB-CG2 4.32Å; D471-V474 PolarHBondContact O-N 2.97Å; D471-V474 WeakPolarHBondContact OD1-CG2 3.18Å; D471-V474 PolarHBondContact OD1-N 2.92Å; D471-V474 WeakPolarHBondContact OD2-CG2 3.41Å; D471-L475 WeakPolarHBondContact O-CB 3.43Å; D471-L475 PolarHBondContact O-N 3.27Å
472	W	95.6	Very high	94.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-34	-177.4	-65.8	103.1	0	0	0	112.8	F377 I391 L463 C467 I470 L475 F476	F377-W472 AromaticContact CD1-CH2 3.93Å; F377-W472 HydrophobicContact CD1-CH2 3.93Å; F377-W472 AromaticContact CD2-CH2 3.94Å; F377-W472 HydrophobicContact CD2-CH2 3.94Å; F377-W472 HydrophobicContact CD2-CZ3 4Å; F377-W472 HydrophobicContact CE1-CH2 4.12Å; F377-W472 HydrophobicContact CE1-CZ3 4.34Å; F377-W472 HydrophobicContact CE2-CH2 4.13Å; F377-W472 AromaticContact CE2-CZ3 3.81Å; F377-W472 HydrophobicContact CE2-CZ3 3.81Å; F377-W472 AromaticContact CG-CH2 3.86Å; F377-W472 HydrophobicContact CG-CH2 3.86Å; F377-W472 HydrophobicContact CG-CZ3 4.37Å; F377-W472 HydrophobicContact CZ-CH2 4.23Å; F377-W472 HydrophobicContact CZ-CZ3 4.01Å; I391-W472 HydrophobicContact CD1-CZ3 3.97Å; I391-W472 HydrophobicContact CG1-CZ3 4.38Å; I391-W472 HydrophobicContact CG2-CH2 4.02Å; I391-W472 HydrophobicContact CG2-CZ3 4.45Å; L463-W472 HydrophobicContact CD1-CD2 4.45Å; L463-W472 HydrophobicContact CD1-CH2 4.46Å; L463-W472 HydrophobicContact CD1-CZ2 4.06Å; L463-W472 HydrophobicContact CD2-CB 4.1Å; L463-W472 HydrophobicContact CD2-CD2 3.4Å; L463-W472 VanDerWaalsContact CD2-CD2 3.4Å; L463-W472 HydrophobicContact CD2-CE3 3.65Å; L463-W472 HydrophobicContact CD2-CG 3.59Å; L463-W472 HydrophobicContact CD2-CZ2 4.45Å; L463-W472 HydrophobicContact CD2-CZ3 4.27Å; L463-W472 HydrophobicContact CG-CD2 3.73Å; L463-W472 HydrophobicContact CG-CE3 4.35Å; L463-W472 HydrophobicContact CG-CG 3.87Å; L463-W472 HydrophobicContact CG-CZ2 4.16Å; L463-W472 PolarHBondContact O-NE1 3.18Å; C467-W472 HydrophobicContact CB-CZ2 4.09Å; C467-W472 PolarHBondContact O-NE1 2.96Å; I470-W472 VanDerWaalsContact C-N 3.28Å; I470-W472 HydrophobicContact CB-CD2 4.24Å; I470-W472 HydrophobicContact CB-CZ2 4.07Å; I470-W472 HydrophobicContact CG1-CZ2 4.42Å; I470-W472 HydrophobicContact CG2-CD2 3.79Å; I470-W472 HydrophobicContact CG2-CE3 3.99Å; I470-W472 HydrophobicContact CG2-CG 4.24Å; I470-W472 HydrophobicContact CG2-CH2 4.4Å; I470-W472 HydrophobicContact CG2-CZ2 4.21Å; I470-W472 HydrophobicContact CG2-CZ3 4.29Å; I470-W472 PolarHBondContact O-N 3.02Å; I470-W472 PolarHBondContact O-NE1 3.16Å; W472-L475 HydrophobicContact CE3-CD2 3.92Å; W472-L475 HydrophobicContact CZ3-CD2 4.01Å; W472-L475 PolarHBondContact O-N 3.04Å; W472-F476 HydrophobicContact CB-CE2 4.15Å; W472-F476 HydrophobicContact CB-CZ 4.47Å; W472-F476 AromaticContact CE3-CE1 3.99Å; W472-F476 HydrophobicContact CE3-CE1 3.99Å; W472-F476 AromaticContact CE3-CZ 3.83Å; W472-F476 HydrophobicContact CE3-CZ 3.83Å; W472-F476 WeakPolarHBondContact O-CB 3.41Å; W472-F476 VanDerWaalsContact O-CD2 3.24Å; W472-F476 WeakPolarHBondContact O-CD2 3.46Å; W472-F476 WeakPolarHBondContact O-CG 3.26Å; W472-F476 PolarHBondContact O-N 3.2Å
473	N	93.1	Very high	93.8	Very high	85 Å²	85	40.9 Å²	40.9	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-66.4	-49.1	178.6	-73.1	-35.9	0	0	0	110.7	T460 D471 L475 F476 E477	T460-N473 WeakPolarHBondContact CG2-OD1 3.45Å; D471-N473 VanDerWaalsContact C-N 3.28Å; D471-N473 PolarHBondContact O-N 3.49Å; D471-N473 PolarHBondContact OD1-N 3.43Å; N473-L475 VanDerWaalsContact C-N 3.3Å; N473-L475 PolarHBondContact O-N 3.43Å; N473-F476 PolarHBondContact O-N 3.37Å; N473-E477 VanDerWaalsContact O-CB 3.24Å; N473-E477 WeakPolarHBondContact O-CB 3Å; N473-E477 PolarHBondContact O-N 2.7Å
474	V	93.5	Very high	93.3	Very high	64 Å²	64	49.8 Å²	49.8	39%	0.388	25%	0.246	S	C	.	.	H	α-helix	trans	-63.1	-39	176	171.8	0	0	0	0	111.1	D471 S478	D471-V474 HydrophobicContact CB-CB 4.1Å; D471-V474 HydrophobicContact CB-CG2 4.32Å; D471-V474 PolarHBondContact O-N 2.97Å; D471-V474 WeakPolarHBondContact OD1-CG2 3.18Å; D471-V474 PolarHBondContact OD1-N 2.92Å; D471-V474 WeakPolarHBondContact OD2-CG2 3.41Å; V474-S478 VanDerWaalsContact O-CB 3.28Å; V474-S478 WeakPolarHBondContact O-CB 3.24Å; V474-S478 PolarHBondContact O-N 3.48Å; V474-S478 PolarHBondContact O-OG 2.89Å
475	L	95.5	Very high	92.7	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-54.1	177.7	-171.9	80.4	0	0	0	111.5	T361 L365 L368 F377 I470 D471 W472 N473 E477 S478 I479	T361-L475 HydrophobicContact CG2-CB 4.05Å; T361-L475 HydrophobicContact CG2-CD1 3.96Å; L365-L475 HydrophobicContact CD1-CD1 4.14Å; L368-L475 HydrophobicContact CD2-CD1 3.72Å; L368-L475 HydrophobicContact CD2-CD2 3.91Å; L368-L475 HydrophobicContact CD2-CG 4.03Å; F377-L475 HydrophobicContact CE2-CD2 3.82Å; F377-L475 HydrophobicContact CZ-CD2 3.45Å; F377-L475 VanDerWaalsContact CZ-CD2 3.45Å; I470-L475 HydrophobicContact CG2-CD2 4.22Å; D471-L475 WeakPolarHBondContact O-CB 3.43Å; D471-L475 PolarHBondContact O-N 3.27Å; W472-L475 HydrophobicContact CE3-CD2 3.92Å; W472-L475 HydrophobicContact CZ3-CD2 4.01Å; W472-L475 PolarHBondContact O-N 3.04Å; N473-L475 VanDerWaalsContact C-N 3.3Å; N473-L475 PolarHBondContact O-N 3.43Å; L475-E477 PolarHBondContact O-N 3.04Å; L475-S478 WeakPolarHBondContact O-CB 3.48Å; L475-S478 PolarHBondContact O-N 3.22Å; L475-I479 HydrophobicContact CG-CD1 4.33Å; L475-I479 WeakPolarHBondContact O-CG1 3.13Å; L475-I479 PolarHBondContact O-N 3.39Å; L475-I479 VanDerWaalsContact O-N 3.12Å
476	F	95.3	Very high	92.1	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.022	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-44.2	179.9	-63.3	-28.5	0	0	0	111	L379 I389 I391 L463 W472 N473 S478 I479 F480 Y488 I493	L379-F476 HydrophobicContact CD1-CD1 4Å; L379-F476 HydrophobicContact CD1-CE1 3.65Å; I389-F476 HydrophobicContact CG2-CE1 4.12Å; I389-F476 HydrophobicContact CG2-CZ 4.27Å; I391-F476 HydrophobicContact CD1-CE1 4.37Å; L463-F476 HydrophobicContact CD2-CE2 4.05Å; L463-F476 HydrophobicContact CD2-CZ 3.77Å; W472-F476 HydrophobicContact CB-CE2 4.15Å; W472-F476 HydrophobicContact CB-CZ 4.47Å; W472-F476 AromaticContact CE3-CE1 3.99Å; W472-F476 HydrophobicContact CE3-CE1 3.99Å; W472-F476 AromaticContact CE3-CZ 3.83Å; W472-F476 HydrophobicContact CE3-CZ 3.83Å; W472-F476 WeakPolarHBondContact O-CB 3.41Å; W472-F476 VanDerWaalsContact O-CD2 3.24Å; W472-F476 WeakPolarHBondContact O-CD2 3.46Å; W472-F476 WeakPolarHBondContact O-CG 3.26Å; W472-F476 PolarHBondContact O-N 3.2Å; N473-F476 PolarHBondContact O-N 3.37Å; F476-S478 VanDerWaalsContact C-N 3.27Å; F476-S478 PolarHBondContact O-N 3.41Å; F476-I479 PolarHBondContact O-N 3.49Å; F476-I479 VanDerWaalsContact O-N 3.16Å; F476-F480 HydrophobicContact CB-CD2 4.16Å; F476-F480 HydrophobicContact CB-CE2 4.4Å; F476-F480 WeakPolarHBondContact O-CB 3.48Å; F476-F480 VanDerWaalsContact O-CD2 3.23Å; F476-F480 WeakPolarHBondContact O-CD2 3.47Å; F476-F480 PolarHBondContact O-N 2.98Å; F476-Y488 HydrophobicContact CB-CD2 3.94Å; F476-Y488 HydrophobicContact CB-CE2 3.52Å; F476-I493 HydrophobicContact CE2-CD1 3.92Å; F476-I493 HydrophobicContact CZ-CD1 4.4Å
477	E	93.8	Very high	91.6	Very high	94 Å²	94	55.7 Å²	55.7	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-57.9	-42.1	175.1	-171	-177.7	157.4	0	0	111.6	N473 L475 I479 R481 Y488	N473-E477 VanDerWaalsContact O-CB 3.24Å; N473-E477 WeakPolarHBondContact O-CB 3Å; N473-E477 PolarHBondContact O-N 2.7Å; L475-E477 PolarHBondContact O-N 3.04Å; E477-I479 VanDerWaalsContact C-N 3.31Å; E477-I479 PolarHBondContact O-N 3.24Å; E477-R481 WeakPolarHBondContact O-CB 3.43Å; E477-R481 PolarHBondContact O-N 3.07Å; E477-Y488 VanDerWaalsContact CA-OH 3.32Å; E477-Y488 WeakPolarHBondContact CA-OH 3.27Å; E477-Y488 WeakPolarHBondContact CB-OH 3.41Å
478	S	93.6	Very high	91.1	Very high	19 Å²	19	56.8 Å²	56.8	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-35.8	178.6	-62	0	0	0	0	112.8	V474 L475 F476 E482	V474-S478 VanDerWaalsContact O-CB 3.28Å; V474-S478 WeakPolarHBondContact O-CB 3.24Å; V474-S478 PolarHBondContact O-N 3.48Å; V474-S478 PolarHBondContact O-OG 2.89Å; L475-S478 WeakPolarHBondContact O-CB 3.48Å; L475-S478 PolarHBondContact O-N 3.22Å; F476-S478 VanDerWaalsContact C-N 3.27Å; F476-S478 PolarHBondContact O-N 3.41Å; S478-E482 WeakPolarHBondContact O-CG 3.35Å
479	I	93.2	Very high	90.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-77.4	-52.9	178	-62.3	167	0	0	0	110.7	L368 L369 L379 L475 F476 E477 R481 E482 F664 L665 I668	L368-I479 HydrophobicContact CD2-CD1 3.67Å; L369-I479 HydrophobicContact CD2-CG1 4.41Å; L379-I479 HydrophobicContact CD1-CD1 3.91Å; L475-I479 HydrophobicContact CG-CD1 4.33Å; L475-I479 WeakPolarHBondContact O-CG1 3.13Å; L475-I479 PolarHBondContact O-N 3.39Å; L475-I479 VanDerWaalsContact O-N 3.12Å; F476-I479 PolarHBondContact O-N 3.49Å; F476-I479 VanDerWaalsContact O-N 3.16Å; E477-I479 VanDerWaalsContact C-N 3.31Å; E477-I479 PolarHBondContact O-N 3.24Å; I479-R481 VanDerWaalsContact C-N 3.34Å; I479-R481 PolarHBondContact O-N 3.29Å; I479-E482 WeakPolarHBondContact O-CB 3.36Å; I479-E482 PolarHBondContact O-N 3.16Å; I479-F664 HydrophobicContact CG2-CE1 4.35Å; I479-L665 HydrophobicContact CG2-CD2 4.42Å; I479-I668 HydrophobicContact CG2-CD1 3.68Å
480	F	92.1	Very high	90.4	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-75.6	-21	-172.1	-73.2	-74.8	0	0	0	113.5	L381 I389 F476 E482 L483 K484 Y485 Y488 M491 I668	L381-F480 HydrophobicContact CD1-CZ 4.43Å; I389-F480 HydrophobicContact CD1-CE2 3.85Å; I389-F480 HydrophobicContact CD1-CZ 4.02Å; I389-F480 HydrophobicContact CG1-CE2 4.49Å; I389-F480 HydrophobicContact CG1-CZ 4.23Å; F476-F480 HydrophobicContact CB-CD2 4.16Å; F476-F480 HydrophobicContact CB-CE2 4.4Å; F476-F480 WeakPolarHBondContact O-CB 3.48Å; F476-F480 VanDerWaalsContact O-CD2 3.23Å; F476-F480 WeakPolarHBondContact O-CD2 3.47Å; F476-F480 PolarHBondContact O-N 2.98Å; F480-E482 VanDerWaalsContact C-N 3.32Å; F480-L483 HydrophobicContact CD1-CD1 3.9Å; F480-L483 HydrophobicContact CE1-CD1 4.28Å; F480-L483 CarbonylContact O-C 3.49Å; F480-L483 PolarHBondContact O-N 2.7Å; F480-K484 PolarHBondContact O-N 2.95Å; F480-K484 VanDerWaalsContact O-N 3.12Å; F480-Y485 HydrophobicContact CD1-CD1 4.08Å; F480-Y485 HydrophobicContact CE1-CD1 4.48Å; F480-Y485 PolarHBondContact O-N 2.82Å; F480-Y485 VanDerWaalsContact O-N 3.1Å; F480-Y488 HydrophobicContact CB-CD1 3.41Å; F480-Y488 VanDerWaalsContact CB-CD1 3.41Å; F480-Y488 HydrophobicContact CB-CD2 4.41Å; F480-Y488 HydrophobicContact CB-CE1 3.7Å; F480-Y488 HydrophobicContact CB-CG 3.78Å; F480-Y488 HydrophobicContact CD1-CD1 4.33Å; F480-Y488 HydrophobicContact CD1-CG 4.06Å; F480-Y488 AromaticContact CD2-CD1 3.89Å; F480-Y488 HydrophobicContact CD2-CD1 3.89Å; F480-Y488 AromaticContact CD2-CD2 3.37Å; F480-Y488 HydrophobicContact CD2-CD2 3.37Å; F480-Y488 HydrophobicContact CD2-CE1 4.44Å; F480-Y488 HydrophobicContact CD2-CE2 4.01Å; F480-Y488 AromaticContact CD2-CG 3.3Å; F480-Y488 HydrophobicContact CD2-CG 3.3Å; F480-Y488 HydrophobicContact CE1-CG 4.5Å; F480-Y488 AromaticContact CE2-CD2 3.79Å; F480-Y488 HydrophobicContact CE2-CD2 3.79Å; F480-Y488 AromaticContact CE2-CG 3.84Å; F480-Y488 HydrophobicContact CE2-CG 3.84Å; F480-Y488 AromaticContact CG-CD1 3.64Å; F480-Y488 HydrophobicContact CG-CD1 3.64Å; F480-Y488 HydrophobicContact CG-CD2 4.01Å; F480-Y488 HydrophobicContact CG-CE1 4.3Å; F480-Y488 AromaticContact CG-CG 3.45Å; F480-Y488 HydrophobicContact CG-CG 3.45Å; F480-Y488 VanDerWaalsContact CG-CG 3.45Å; F480-Y488 HydrophobicContact CZ-CG 4.41Å; F480-M491 HydrophobicContact CE1-SD 4.44Å; F480-M491 HydrophobicContact CZ-SD 4.27Å; F480-I668 HydrophobicContact CE1-CG2 4.16Å
481	R	90.5	Very high	90.2	Very high	152 Å²	152	65.9 Å²	65.9	57%	0.574	32%	0.317	S	S	*	.	H	α-helix	trans	-64.1	-36	169.5	-175.4	177.3	67.7	-148.4	-2	112.2	E477 I479 L483 K484	E477-R481 WeakPolarHBondContact O-CB 3.43Å; E477-R481 PolarHBondContact O-N 3.07Å; I479-R481 VanDerWaalsContact C-N 3.34Å; I479-R481 PolarHBondContact O-N 3.29Å; R481-L483 PolarHBondContact O-N 3.33Å; R481-K484 PolarHBondContact O-N 2.96Å; R481-K484 VanDerWaalsContact O-N 3.12Å
482	E	88.3	Confident	90	Very high	45 Å²	45	66.6 Å²	66.6	21%	0.21	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-33.4	174.2	-61.9	-78.8	161.7	0	0	111.3	S478 I479 F480 K484 T644 K661 L665	S478-E482 WeakPolarHBondContact O-CG 3.35Å; I479-E482 WeakPolarHBondContact O-CB 3.36Å; I479-E482 PolarHBondContact O-N 3.16Å; F480-E482 VanDerWaalsContact C-N 3.32Å; E482-K484 VanDerWaalsContact C-N 3.32Å; E482-T644 PolarHBondContact OE2-OG1 2.92Å; E482-K661 IonicContact OE1-NZ 2.72Å; E482-K661 PolarHBondContact OE1-NZ 2.92Å; E482-K661 VanDerWaalsContact OE1-NZ 3.07Å; E482-K661 VanDerWaalsContact OE2-CE 3.26Å; E482-K661 WeakPolarHBondContact OE2-CE 3.15Å; E482-K661 IonicContact OE2-NZ 4Å; E482-K661 PolarHBondContact OE2-NZ 2.8Å; E482-L665 HydrophobicContact CB-CD1 3.8Å; E482-L665 HydrophobicContact CB-CD2 3.97Å; E482-L665 HydrophobicContact CG-CD1 4.4Å
483	L	84.9	Confident	90.1	Very high	13 Å²	13	67 Å²	67	7%	0.068	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.3	177.5	-57.9	175.5	0	0	0	113.5	F480 R481 Y485 F641 L665 I668 L672	F480-L483 HydrophobicContact CD1-CD1 3.9Å; F480-L483 HydrophobicContact CE1-CD1 4.28Å; F480-L483 CarbonylContact O-C 3.49Å; F480-L483 PolarHBondContact O-N 2.7Å; R481-L483 PolarHBondContact O-N 3.33Å; L483-Y485 PolarHBondContact O-N 3.19Å; L483-F641 HydrophobicContact CD2-CD1 4.12Å; L483-F641 HydrophobicContact CD2-CD2 4.5Å; L483-F641 HydrophobicContact CD2-CE1 3.49Å; L483-F641 VanDerWaalsContact CD2-CE1 3.49Å; L483-F641 HydrophobicContact CD2-CE2 3.91Å; L483-F641 HydrophobicContact CD2-CZ 3.37Å; L483-L665 HydrophobicContact CD2-CB 3.82Å; L483-L665 HydrophobicContact CD2-CD2 3.82Å; L483-L665 HydrophobicContact CD2-CG 4.34Å; L483-L665 HydrophobicContact CG-CD2 4.06Å; L483-I668 HydrophobicContact CD1-CB 4Å; L483-I668 HydrophobicContact CD1-CG2 3.44Å; L483-I668 VanDerWaalsContact CD1-CG2 3.44Å; L483-L672 HydrophobicContact CD1-CD1 4.46Å
484	K	84.1	Confident	90.2	Very high	188 Å²	188	63.8 Å²	63.8	82%	0.817	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	35.6	-169.3	-57.2	177.5	-177.7	171.9	0	112.6	F480 R481 E482	F480-K484 PolarHBondContact O-N 2.95Å; F480-K484 VanDerWaalsContact O-N 3.12Å; R481-K484 PolarHBondContact O-N 2.96Å; R481-K484 VanDerWaalsContact O-N 3.12Å; E482-K484 VanDerWaalsContact C-N 3.32Å
485	Y	83.8	Confident	90.4	Very high	70 Å²	70	60.7 Å²	60.7	28%	0.275	28%	0.284	S	S	.	.			trans	-113.1	107.4	-175.2	-173.2	-91.2	0	0	0	109.7	F480 L483 Y488 M491 L672	F480-Y485 HydrophobicContact CD1-CD1 4.08Å; F480-Y485 HydrophobicContact CE1-CD1 4.48Å; F480-Y485 PolarHBondContact O-N 2.82Å; F480-Y485 VanDerWaalsContact O-N 3.1Å; L483-Y485 PolarHBondContact O-N 3.19Å; Y485-Y488 VanDerWaalsContact CE1-N 3.33Å; Y485-Y488 WeakPolarHBondContact O-CD1 3.3Å; Y485-M491 HydrophobicContact CD1-CE 4.21Å; Y485-M491 HydrophobicContact CE1-CE 3.27Å; Y485-L672 HydrophobicContact CD1-CD1 4.17Å; Y485-L672 HydrophobicContact CD2-CD1 3.96Å; Y485-L672 HydrophobicContact CE1-CD1 4.42Å; Y485-L672 HydrophobicContact CE1-CD2 4.14Å; Y485-L672 HydrophobicContact CE2-CD1 4.19Å; Y485-L672 HydrophobicContact CE2-CD2 4.29Å; Y485-L672 HydrophobicContact CG-CD1 3.93Å
486	E	82.1	Confident	90.4	Very high	166 Å²	166	62.9 Å²	62.9	78%	0.776	29%	0.294	S	S	*	.			trans	-90.6	-20.8	-175	-64.7	-171.4	169.3	0	0	114	Y488	E486-Y488 WeakPolarHBondContact O-CD1 3.46Å; E486-Y488 PolarHBondContact O-N 2.91Å; E486-Y488 VanDerWaalsContact O-N 3.1Å
487	S	85.3	Confident	90.4	Very high	68 Å²	68	63.6 Å²	63.6	48%	0.476	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-71.6	-3.8	-174.4	-56.6	0	0	0	0	114.3	K489 N490	S487-K489 PolarHBondContact O-N 2.92Å; S487-K489 VanDerWaalsContact O-N 3.1Å; S487-N490 PolarHBondContact O-N 3.04Å; S487-N490 VanDerWaalsContact O-N 3.1Å
488	Y	87.3	Confident	90.5	Very high	23 Å²	23	60.6 Å²	60.6	9%	0.09	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-59	-24.7	179.3	74.3	-83.9	0	0	0	113	F476 E477 F480 Y485 E486 N490 M491	F476-Y488 HydrophobicContact CB-CD2 3.94Å; F476-Y488 HydrophobicContact CB-CE2 3.52Å; E477-Y488 VanDerWaalsContact CA-OH 3.32Å; E477-Y488 WeakPolarHBondContact CA-OH 3.27Å; E477-Y488 WeakPolarHBondContact CB-OH 3.41Å; F480-Y488 HydrophobicContact CB-CD1 3.41Å; F480-Y488 VanDerWaalsContact CB-CD1 3.41Å; F480-Y488 HydrophobicContact CB-CD2 4.41Å; F480-Y488 HydrophobicContact CB-CE1 3.7Å; F480-Y488 HydrophobicContact CB-CG 3.78Å; F480-Y488 HydrophobicContact CD1-CD1 4.33Å; F480-Y488 HydrophobicContact CD1-CG 4.06Å; F480-Y488 AromaticContact CD2-CD1 3.89Å; F480-Y488 HydrophobicContact CD2-CD1 3.89Å; F480-Y488 AromaticContact CD2-CD2 3.37Å; F480-Y488 HydrophobicContact CD2-CD2 3.37Å; F480-Y488 HydrophobicContact CD2-CE1 4.44Å; F480-Y488 HydrophobicContact CD2-CE2 4.01Å; F480-Y488 AromaticContact CD2-CG 3.3Å; F480-Y488 HydrophobicContact CD2-CG 3.3Å; F480-Y488 HydrophobicContact CE1-CG 4.5Å; F480-Y488 AromaticContact CE2-CD2 3.79Å; F480-Y488 HydrophobicContact CE2-CD2 3.79Å; F480-Y488 AromaticContact CE2-CG 3.84Å; F480-Y488 HydrophobicContact CE2-CG 3.84Å; F480-Y488 AromaticContact CG-CD1 3.64Å; F480-Y488 HydrophobicContact CG-CD1 3.64Å; F480-Y488 HydrophobicContact CG-CD2 4.01Å; F480-Y488 HydrophobicContact CG-CE1 4.3Å; F480-Y488 AromaticContact CG-CG 3.45Å; F480-Y488 HydrophobicContact CG-CG 3.45Å; F480-Y488 VanDerWaalsContact CG-CG 3.45Å; F480-Y488 HydrophobicContact CZ-CG 4.41Å; Y485-Y488 VanDerWaalsContact CE1-N 3.33Å; Y485-Y488 WeakPolarHBondContact O-CD1 3.3Å; E486-Y488 WeakPolarHBondContact O-CD1 3.46Å; E486-Y488 PolarHBondContact O-N 2.91Å; E486-Y488 VanDerWaalsContact O-N 3.1Å; Y488-N490 PolarHBondContact O-N 3.39Å; Y488-N490 VanDerWaalsContact O-N 3.13Å; Y488-M491 WeakPolarHBondContact O-CB 3.33Å; Y488-M491 PolarHBondContact O-N 3.48Å
489	K	87.9	Confident	90.5	Very high	149 Å²	149	64.3 Å²	64.3	65%	0.648	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.2	-20.7	178.1	-64.9	179.7	179.6	175.1	0	113.4	S487	S487-K489 PolarHBondContact O-N 2.92Å; S487-K489 VanDerWaalsContact O-N 3.1Å
490	N	87.5	Confident	90.7	Very high	146 Å²	146	64.5 Å²	64.5	78%	0.781	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-99.6	-0.4	178.3	-58.3	-30.9	0	0	0	112.8	S487 Y488	S487-N490 PolarHBondContact O-N 3.04Å; S487-N490 VanDerWaalsContact O-N 3.1Å; Y488-N490 PolarHBondContact O-N 3.39Å; Y488-N490 VanDerWaalsContact O-N 3.13Å
491	M	90.5	Very high	90.9	Very high	22 Å²	22	64.4 Å²	64.4	11%	0.108	30%	0.304	C	S	.	.	S	Bend	trans	-71.4	148.3	-179.9	-72.7	175.1	178.6	0	0	111.5	L381 P387 I389 F480 Y485 Y488 L672	L381-M491 HydrophobicContact CD1-SD 3.77Å; P387-M491 HydrophobicContact CB-CE 4.02Å; P387-M491 HydrophobicContact CG-CE 3.94Å; I389-M491 HydrophobicContact CD1-CB 4.31Å; I389-M491 HydrophobicContact CD1-SD 4.41Å; I389-M491 HydrophobicContact CG1-CB 4.25Å; I389-M491 HydrophobicContact CG1-SD 4.12Å; F480-M491 HydrophobicContact CE1-SD 4.44Å; F480-M491 HydrophobicContact CZ-SD 4.27Å; Y485-M491 HydrophobicContact CD1-CE 4.21Å; Y485-M491 HydrophobicContact CE1-CE 3.27Å; Y488-M491 WeakPolarHBondContact O-CB 3.33Å; Y488-M491 PolarHBondContact O-N 3.48Å; M491-L672 HydrophobicContact CE-CD2 3.26Å
492	E	93.1	Very high	91.2	Very high	85 Å²	85	61.1 Å²	61.1	40%	0.397	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.3	170.5	-50.7	-163.2	161.8	0	0	109.9	R388 I389 K457	R388-E492 WeakPolarHBondContact CA-O 3.45Å; R388-E492 HydrophobicContact CB-CB 4.09Å; R388-E492 WeakPolarHBondContact CB-O 3.48Å; I389-E492 PolarHBondContact N-O 3.42Å; K457-E492 WeakPolarHBondContact CD-OE2 3.48Å; K457-E492 VanDerWaalsContact CE-OE2 3.22Å; K457-E492 WeakPolarHBondContact CE-OE2 3.48Å; K457-E492 IonicContact NZ-OE1 3.47Å; K457-E492 PolarHBondContact NZ-OE1 2.74Å; K457-E492 IonicContact NZ-OE2 3.19Å; K457-E492 PolarHBondContact NZ-OE2 3.31Å
493	I	96.1	Very high	91.6	Very high	8 Å²	8	63.1 Å²	63.1	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.1	174.8	-55.7	173.2	0	0	0	107.7	I389 I391 K457 V458 L463 F476 V495	I389-I493 HydrophobicContact CB-CG1 4.45Å; I389-I493 CarbonylContact O-C 3.32Å; I389-I493 WeakPolarHBondContact O-CA 3.48Å; I391-I493 HydrophobicContact CG1-CG2 4.32Å; K457-I493 WeakPolarHBondContact CA-O 3.28Å; V458-I493 HydrophobicContact CG2-CB 4.08Å; V458-I493 HydrophobicContact CG2-CG2 3.79Å; V458-I493 PolarHBondContact N-O 2.94Å; L463-I493 HydrophobicContact CD2-CD1 4.27Å; L463-I493 HydrophobicContact CD2-CG2 4.16Å; F476-I493 HydrophobicContact CE2-CD1 3.92Å; F476-I493 HydrophobicContact CZ-CD1 4.4Å; I493-V495 HydrophobicContact CG2-CG2 4.46Å
494	I	96.4	Very high	92.2	Very high	18 Å²	18	62.6 Å²	62.6	9%	0.092	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.5	174.7	-58.4	-55.8	0	0	0	108.5	I389 D390 I391 V455 S456 K457	I389-I494 PolarHBondContact O-N 3.44Å; D390-I494 WeakPolarHBondContact CA-O 3.48Å; I391-I494 PolarHBondContact N-O 3.36Å; V455-I494 HydrophobicContact CG1-CG2 3.26Å; S456-I494 WeakPolarHBondContact O-CA 3.44Å; K457-I494 HydrophobicContact CB-CD1 3.63Å; K457-I494 HydrophobicContact CG-CD1 4.02Å
495	V	97.4	Very high	92.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.2	173.6	176.8	0	0	0	0	108.7	I391 S456 V458 L463 I466 I493 Q498 L501	I391-V495 HydrophobicContact CB-CG2 4.31Å; I391-V495 WeakPolarHBondContact O-CA 3.38Å; S456-V495 PolarHBondContact N-O 3.42Å; S456-V495 PolarHBondContact O-N 3.18Å; V458-V495 HydrophobicContact CG1-CB 4.39Å; V458-V495 HydrophobicContact CG1-CG2 4.23Å; V458-V495 HydrophobicContact CG2-CB 4.45Å; V458-V495 HydrophobicContact CG2-CG2 3.51Å; L463-V495 HydrophobicContact CD1-CG2 3.68Å; I466-V495 HydrophobicContact CD1-CG2 4.39Å; I493-V495 HydrophobicContact CG2-CG2 4.46Å; V495-Q498 HydrophobicContact CG1-CB 3.98Å; V495-Q498 HydrophobicContact CG1-CG 4.47Å; V495-L501 HydrophobicContact CG1-CD2 3.71Å
496	H	95.8	Very high	93.5	Very high	47 Å²	47	54.2 Å²	54.2	22%	0.218	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.4	170.9	-61.2	-100.1	0	0	0	109.2	D390 I391 S454 Q498	D390-H496 IonicContact OD2-CD2 2.84Å; D390-H496 IonicContact OD2-CE1 2.64Å; D390-H496 IonicContact OD2-NE2 3.8Å; D390-H496 PolarHBondContact OD2-NE2 2.86Å; I391-H496 PolarHBondContact O-N 3.31Å; S454-H496 CarbonylContact O-C 3.41Å; S454-H496 WeakPolarHBondContact O-CA 3.17Å; H496-Q498 PolarHBondContact O-N 3.22Å
497	D	95.3	Very high	94.3	Very high	20 Å²	20	47.8 Å²	47.8	11%	0.107	24%	0.236	C	C	.	.	S	Bend	trans	52.5	52.1	176.6	-60.8	-63	0	0	0	113.7	L393 S452 G453 S454 D499 S500 L501	L393-D497 HydrophobicContact CD1-CB 4.12Å; L393-D497 HydrophobicContact CG-CB 4.36Å; S452-D497 PolarHBondContact N-OD1 2.88Å; S452-D497 PolarHBondContact OG-OD1 3.19Å; G453-D497 PolarHBondContact N-OD1 2.85Å; S454-D497 PolarHBondContact O-N 2.76Å; D497-D499 VanDerWaalsContact C-N 3.25Å; D497-D499 PolarHBondContact O-N 3.44Å; D497-D499 VanDerWaalsContact O-N 3.11Å; D497-S500 PolarHBondContact O-N 3.12Å; D497-L501 PolarHBondContact O-N 3.5Å
498	Q	94.9	Very high	94.8	Very high	31 Å²	31	44.6 Å²	44.6	15%	0.145	21%	0.213	C	C	.	.	H	α-helix	trans	-49.2	-41.4	-174.3	178.1	176.8	-16.3	0	0	114.1	I466 V495 H496 L501 R502	I466-Q498 VanDerWaalsContact CD1-CD 3.45Å; I466-Q498 HydrophobicContact CD1-CG 3.58Å; I466-Q498 HydrophobicContact CG1-CG 3.72Å; I466-Q498 HydrophobicContact CG2-CG 4.17Å; V495-Q498 HydrophobicContact CG1-CB 3.98Å; V495-Q498 HydrophobicContact CG1-CG 4.47Å; H496-Q498 PolarHBondContact O-N 3.22Å; Q498-L501 PolarHBondContact O-N 3.48Å; Q498-R502 PolarHBondContact O-N 3.45Å
499	D	94.5	Very high	95.2	Very high	98 Å²	98	45.1 Å²	45.1	52%	0.524	22%	0.223	S	C	.	.	H	α-helix	trans	-68.7	-39.7	-179.8	-71.2	-28	0	0	0	112.2	D497 R502 K503	D497-D499 VanDerWaalsContact C-N 3.25Å; D497-D499 PolarHBondContact O-N 3.44Å; D497-D499 VanDerWaalsContact O-N 3.11Å; D499-R502 PolarHBondContact O-N 3.41Å; D499-K503 VanDerWaalsContact O-CG 3.31Å; D499-K503 WeakPolarHBondContact O-CG 3.39Å; D499-K503 PolarHBondContact O-N 3.02Å; D499-K503 VanDerWaalsContact O-N 3.08Å
500	S	96	Very high	95.6	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-41.8	174.3	-71.5	0	0	0	0	110.5	Q450 D497 R502 K503 V504	Q450-S500 PolarHBondContact N-OG 3.47Å; Q450-S500 VanDerWaalsContact N-OG 3.08Å; Q450-S500 PolarHBondContact O-OG 3.16Å; D497-S500 PolarHBondContact O-N 3.12Å; S500-R502 VanDerWaalsContact C-N 3.32Å; S500-R502 PolarHBondContact O-N 2.93Å; S500-K503 PolarHBondContact O-N 2.9Å; S500-V504 VanDerWaalsContact O-CG2 3.32Å; S500-V504 WeakPolarHBondContact O-CG2 3.24Å; S500-V504 PolarHBondContact O-N 3.4Å
501	L	96.5	Very high	96	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-43.2	176.5	-179.8	61.6	0	0	0	111.4	F377 I391 L393 I466 V495 D497 Q498 V504 C505	F377-L501 HydrophobicContact CB-CD1 4.03Å; I391-L501 HydrophobicContact CG2-CD2 3.95Å; L393-L501 HydrophobicContact CD2-CB 4.1Å; I466-L501 HydrophobicContact CG2-CB 4.42Å; I466-L501 HydrophobicContact CG2-CD2 3.95Å; I466-L501 HydrophobicContact CG2-CG 4.1Å; V495-L501 HydrophobicContact CG1-CD2 3.71Å; D497-L501 PolarHBondContact O-N 3.5Å; Q498-L501 PolarHBondContact O-N 3.48Å; L501-V504 PolarHBondContact O-N 2.87Å; L501-C505 WeakPolarHBondContact O-CB 3.35Å; L501-C505 PolarHBondContact O-N 3.32Å
502	R	96.7	Very high	96	Very high	83 Å²	83	36.5 Å²	36.5	31%	0.313	19%	0.188	S	C	.	.	H	α-helix	trans	-59.8	-51	174.8	-173.9	178.2	-59.4	144.6	17.4	111.5	I466 Q498 D499 S500 V504 C505 D506	I466-R502 HydrophobicContact CG2-CB 4.43Å; Q498-R502 PolarHBondContact O-N 3.45Å; D499-R502 PolarHBondContact O-N 3.41Å; S500-R502 VanDerWaalsContact C-N 3.32Å; S500-R502 PolarHBondContact O-N 2.93Å; R502-V504 VanDerWaalsContact C-N 3.3Å; R502-V504 PolarHBondContact O-N 3.4Å; R502-C505 CarbonylContact O-C 3.59Å; R502-C505 WeakPolarHBondContact O-CA 3.37Å; R502-C505 WeakPolarHBondContact O-CB 3.49Å; R502-C505 PolarHBondContact O-N 3.13Å; R502-D506 VanDerWaalsContact O-CG 3.28Å; R502-D506 PolarHBondContact O-N 2.63Å
503	K	97.4	Very high	95.9	Very high	87 Å²	87	39.6 Å²	39.6	38%	0.378	20%	0.203	S	C	.	.	H	α-helix	trans	-58.2	-42	179.2	-68.9	169.8	-175.9	173.5	0	112.2	A448 D499 S500 C505 D506 I507	A448-K503 HydrophobicContact CB-CB 4Å; D499-K503 VanDerWaalsContact O-CG 3.31Å; D499-K503 WeakPolarHBondContact O-CG 3.39Å; D499-K503 PolarHBondContact O-N 3.02Å; D499-K503 VanDerWaalsContact O-N 3.08Å; S500-K503 PolarHBondContact O-N 2.9Å; K503-C505 VanDerWaalsContact C-N 3.34Å; K503-D506 PolarHBondContact O-N 3.17Å; K503-I507 WeakPolarHBondContact O-CG1 3.23Å; K503-I507 PolarHBondContact O-N 3.04Å; K503-I507 VanDerWaalsContact O-N 3.09Å
504	V	97.6	Very high	95.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-66.4	-39.5	176.8	178.9	0	0	0	0	110.7	L376 I445 A448 I449 S500 L501 R502 I507 H508	L376-V504 HydrophobicContact CD1-CB 4.26Å; L376-V504 HydrophobicContact CD1-CG1 3.67Å; I445-V504 HydrophobicContact CG1-CG1 4.38Å; I445-V504 HydrophobicContact CG2-CG1 3.71Å; I445-V504 HydrophobicContact CG2-CG2 4.05Å; A448-V504 HydrophobicContact CB-CG2 4.36Å; I449-V504 HydrophobicContact CD1-CG2 4.39Å; I449-V504 HydrophobicContact CG1-CG2 3.76Å; S500-V504 VanDerWaalsContact O-CG2 3.32Å; S500-V504 WeakPolarHBondContact O-CG2 3.24Å; S500-V504 PolarHBondContact O-N 3.4Å; L501-V504 PolarHBondContact O-N 2.87Å; R502-V504 VanDerWaalsContact C-N 3.3Å; R502-V504 PolarHBondContact O-N 3.4Å; V504-I507 PolarHBondContact O-N 3.23Å; V504-H508 PolarHBondContact O-N 3.32Å; V504-H508 VanDerWaalsContact O-N 3.08Å; V504-H508 PolarHBondContact O-ND1 3.45Å
505	C	97.9	Very high	95.3	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-42.1	174.1	-166.5	0	0	0	0	112.3	L376 C467 L469 L501 R502 K503 I507 H508 A509	L376-C505 HydrophobicContact CD1-CB 4.11Å; C467-C505 WeakPolarHBondContact CA-SG 3.31Å; C467-C505 HydrophobicContact CB-CB 3.65Å; C467-C505 WeakPolarHBondContact CB-SG 3.38Å; C467-C505 WeakPolarHBondContact SG-CB 3.46Å; C467-C505 CovalentContact SG-SG 2.04Å; C467-C505 PolarHBondContact SG-SG 3.17Å; L469-C505 VanDerWaalsContact CB-SG 3.58Å; L501-C505 WeakPolarHBondContact O-CB 3.35Å; L501-C505 PolarHBondContact O-N 3.32Å; R502-C505 CarbonylContact O-C 3.59Å; R502-C505 WeakPolarHBondContact O-CA 3.37Å; R502-C505 WeakPolarHBondContact O-CB 3.49Å; R502-C505 PolarHBondContact O-N 3.13Å; K503-C505 VanDerWaalsContact C-N 3.34Å; C505-I507 VanDerWaalsContact C-N 3.32Å; C505-I507 PolarHBondContact O-N 3.2Å; C505-H508 PolarHBondContact O-N 2.76Å; C505-H508 VanDerWaalsContact O-N 3.16Å; C505-A509 WeakPolarHBondContact O-CB 3.32Å; C505-A509 PolarHBondContact O-N 2.94Å
506	D	97.7	Very high	95	Very high	81 Å²	81	49.9 Å²	49.9	43%	0.433	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-38.4	176.5	-64.9	-26.6	0	0	0	111.9	R502 K503 A509 T510	R502-D506 VanDerWaalsContact O-CG 3.28Å; R502-D506 PolarHBondContact O-N 2.63Å; K503-D506 PolarHBondContact O-N 3.17Å; D506-A509 PolarHBondContact O-N 3.46Å; D506-T510 WeakPolarHBondContact O-CB 3.46Å; D506-T510 PolarHBondContact O-N 2.98Å; D506-T510 PolarHBondContact O-OG1 2.96Å
507	I	97.8	Very high	94.8	Very high	31 Å²	31	48 Å²	48	16%	0.159	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-44.1	174.1	-70.3	165.4	0	0	0	110.8	L441 Q444 I445 A448 K503 V504 C505 A509 T510 A511	L441-I507 HydrophobicContact CD1-CG2 3.57Å; Q444-I507 HydrophobicContact CB-CD1 4.24Å; Q444-I507 HydrophobicContact CB-CG2 4.25Å; Q444-I507 WeakPolarHBondContact O-CD1 3.45Å; I445-I507 HydrophobicContact CG1-CG2 3.9Å; A448-I507 HydrophobicContact CB-CD1 3.52Å; K503-I507 WeakPolarHBondContact O-CG1 3.23Å; K503-I507 PolarHBondContact O-N 3.04Å; K503-I507 VanDerWaalsContact O-N 3.09Å; V504-I507 PolarHBondContact O-N 3.23Å; C505-I507 VanDerWaalsContact C-N 3.32Å; C505-I507 PolarHBondContact O-N 3.2Å; I507-A509 VanDerWaalsContact C-N 3.34Å; I507-T510 PolarHBondContact O-N 3.36Å; I507-A511 PolarHBondContact O-N 3.26Å
508	H	97.1	Very high	94.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-39.6	176.1	-73.3	69.7	0	0	0	111.2	L360 I445 L469 V504 C505 A511 M512 L521	L360-H508 HydrophobicContact CD2-CB 4.24Å; I445-H508 VanDerWaalsContact CD1-CE1 3.44Å; I445-H508 WeakPolarHBondContact CD1-CE1 3.47Å; L469-H508 HydrophobicContact CD2-CB 3.39Å; V504-H508 PolarHBondContact O-N 3.32Å; V504-H508 VanDerWaalsContact O-N 3.08Å; V504-H508 PolarHBondContact O-ND1 3.45Å; C505-H508 PolarHBondContact O-N 2.76Å; C505-H508 VanDerWaalsContact O-N 3.16Å; H508-A511 PolarHBondContact O-N 3.41Å; H508-M512 WeakPolarHBondContact O-CG 3.44Å; H508-M512 PolarHBondContact O-N 2.88Å; H508-L521 HydrophobicContact CB-CD2 4.5Å; H508-L521 VanDerWaalsContact CD2-CD2 3.45Å; H508-L521 WeakPolarHBondContact CD2-CD2 3.2Å
509	A	95.9	Very high	94.4	Very high	34 Å²	34	48.2 Å²	48.2	28%	0.281	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-47.9	177	0	0	0	0	0	111	L469 C505 D506 I507 A511 M512 E513	L469-A509 HydrophobicContact CD1-CB 3.98Å; L469-A509 HydrophobicContact CD2-CB 4.26Å; C505-A509 WeakPolarHBondContact O-CB 3.32Å; C505-A509 PolarHBondContact O-N 2.94Å; D506-A509 PolarHBondContact O-N 3.46Å; I507-A509 VanDerWaalsContact C-N 3.34Å; A509-A511 VanDerWaalsContact C-N 3.3Å; A509-A511 PolarHBondContact O-N 3.29Å; A509-M512 WeakPolarHBondContact O-CB 3.48Å; A509-M512 PolarHBondContact O-N 3.16Å; A509-E513 PolarHBondContact O-N 3.36Å
510	T	96.3	Very high	94.3	Very high	86 Å²	86	44.5 Å²	44.5	53%	0.528	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-42.2	174.6	-53.5	0	0	0	0	111.4	D506 I507 M512 E513	D506-T510 WeakPolarHBondContact O-CB 3.46Å; D506-T510 PolarHBondContact O-N 2.98Å; D506-T510 PolarHBondContact O-OG1 2.96Å; I507-T510 PolarHBondContact O-N 3.36Å; T510-M512 VanDerWaalsContact C-N 3.31Å; T510-M512 PolarHBondContact O-N 3.2Å; T510-E513 WeakPolarHBondContact O-CB 3.49Å; T510-E513 PolarHBondContact O-N 2.8Å
511	A	94.7	Very high	94.3	Very high	12 Å²	12	44.3 Å²	44.3	10%	0.099	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-35	175.6	0	0	0	0	0	112.1	L441 I507 H508 A509 E513 G517 R518 L521	L441-A511 HydrophobicContact CD1-CB 4.32Å; I507-A511 PolarHBondContact O-N 3.26Å; H508-A511 PolarHBondContact O-N 3.41Å; A509-A511 VanDerWaalsContact C-N 3.3Å; A509-A511 PolarHBondContact O-N 3.29Å; A511-E513 VanDerWaalsContact C-N 3.25Å; A511-E513 PolarHBondContact O-N 3.01Å; A511-G517 CarbonylContact O-C 3.6Å; A511-G517 WeakPolarHBondContact O-CA 3.33Å; A511-R518 PolarHBondContact O-N 2.97Å; A511-L521 HydrophobicContact CB-CD1 4.04Å; A511-L521 HydrophobicContact CB-CD2 4.37Å; A511-L521 HydrophobicContact CB-CG 4.1Å
512	M	91.7	Very high	94.1	Very high	39 Å²	39	44.3 Å²	44.3	19%	0.192	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-23.9	178.2	-69.3	-156.1	-18	0	0	113.9	F358 L360 L469 H508 A509 T510 T514 R518 L521	F358-M512 HydrophobicContact CD1-SD 4.16Å; F358-M512 HydrophobicContact CE1-CG 4.28Å; F358-M512 HydrophobicContact CE1-SD 4.01Å; L360-M512 HydrophobicContact CB-SD 3.85Å; L360-M512 HydrophobicContact CD2-SD 4.48Å; L469-M512 HydrophobicContact CD1-CE 3.18Å; L469-M512 HydrophobicContact CD1-CG 4.25Å; L469-M512 HydrophobicContact CD1-SD 3.52Å; L469-M512 VanDerWaalsContact CD1-SD 3.52Å; L469-M512 HydrophobicContact CD2-SD 4.25Å; L469-M512 HydrophobicContact CG-CE 4.2Å; L469-M512 HydrophobicContact CG-SD 3.95Å; H508-M512 WeakPolarHBondContact O-CG 3.44Å; H508-M512 PolarHBondContact O-N 2.88Å; A509-M512 WeakPolarHBondContact O-CB 3.48Å; A509-M512 PolarHBondContact O-N 3.16Å; T510-M512 VanDerWaalsContact C-N 3.31Å; T510-M512 PolarHBondContact O-N 3.2Å; M512-T514 PolarHBondContact O-N 3.47Å; M512-T514 VanDerWaalsContact O-N 3.17Å; M512-R518 WeakPolarHBondContact O-CG 3.42Å; M512-R518 PolarHBondContact O-NH1 2.7Å; M512-L521 HydrophobicContact CG-CD1 3.58Å
513	E	91.1	Very high	93.9	Very high	149 Å²	149	40.4 Å²	40.4	70%	0.696	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.8	-177.4	-63.5	179.9	170.6	0	0	113.5	A509 T510 A511	A509-E513 PolarHBondContact O-N 3.36Å; T510-E513 WeakPolarHBondContact O-CB 3.49Å; T510-E513 PolarHBondContact O-N 2.8Å; A511-E513 VanDerWaalsContact C-N 3.25Å; A511-E513 PolarHBondContact O-N 3.01Å
514	T	91.5	Very high	93.8	Very high	75 Å²	75	36.2 Å²	36.2	46%	0.46	20%	0.199	S	C	.	.	S	Bend	trans	-117.5	148.1	-177.9	70.2	0	0	0	0	111.7	M512 N516 G517 R518	M512-T514 PolarHBondContact O-N 3.47Å; M512-T514 VanDerWaalsContact O-N 3.17Å; T514-N516 PolarHBondContact O-N 3.13Å; T514-G517 PolarHBondContact O-N 3.02Å; T514-G517 PolarHBondContact OG1-N 3.43Å; T514-R518 PolarHBondContact O-N 3.25Å
515	N	88.1	Confident	93.8	Very high	75 Å²	75	36.2 Å²	36.2	40%	0.401	20%	0.199	S	C	.	.	H	α-helix	trans	-57.5	-38.3	173.5	-173.6	14.8	0	0	0	111.7	K519	N515-K519 WeakPolarHBondContact O-CD 3.49Å; N515-K519 VanDerWaalsContact O-CG 3.24Å; N515-K519 WeakPolarHBondContact O-CG 3.14Å; N515-K519 PolarHBondContact O-N 3.25Å; N515-K519 WeakPolarHBondContact OD1-CE 3.06Å
516	N	89.8	Confident	93.6	Very high	93 Å²	93	36.1 Å²	36.1	50%	0.497	20%	0.198	S	C	.	.	H	α-helix	trans	-67.7	-41.9	177	-79.4	9.4	0	0	0	112.4	T514 K519 N520	T514-N516 PolarHBondContact O-N 3.13Å; N516-K519 WeakPolarHBondContact O-CB 3.27Å; N516-K519 PolarHBondContact O-N 2.88Å; N516-N520 PolarHBondContact O-N 2.96Å; N516-N520 PolarHBondContact O-ND2 3.43Å; N516-N520 PolarHBondContact O-OD1 2.91Å
517	G	92.4	Very high	93.5	Very high	7 Å²	7	32.3 Å²	32.3	7%	0.072	18%	0.178	C	C	.	.	H	α-helix	trans	-67.1	-36.9	176	0	0	0	0	0	112.7	A511 T514 K519 N520 L521	A511-G517 CarbonylContact O-C 3.6Å; A511-G517 WeakPolarHBondContact O-CA 3.33Å; T514-G517 PolarHBondContact O-N 3.02Å; T514-G517 PolarHBondContact OG1-N 3.43Å; G517-K519 VanDerWaalsContact C-N 3.33Å; G517-K519 PolarHBondContact O-N 2.83Å; G517-N520 WeakPolarHBondContact O-CB 3.49Å; G517-N520 PolarHBondContact O-N 3.41Å; G517-N520 VanDerWaalsContact O-N 3.1Å; G517-L521 WeakPolarHBondContact O-CG 3.28Å; G517-L521 PolarHBondContact O-N 2.98Å
518	R	91.2	Very high	93.5	Very high	21 Å²	21	31.3 Å²	31.3	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-39.8	170.4	-69.9	-169.5	-70.3	-103.1	15.9	113	L353 D355 F358 A511 M512 T514 N520 L521 H522	L353-R518 HydrophobicContact CD2-CB 4.2Å; L353-R518 PolarHBondContact O-NE 3.21Å; L353-R518 PolarHBondContact O-NH2 3.33Å; D355-R518 IonicContact OD1-CZ 3.03Å; D355-R518 IonicContact OD1-NH1 3.74Å; D355-R518 PolarHBondContact OD1-NH1 3.26Å; D355-R518 IonicContact OD1-NH2 2.68Å; F358-R518 HydrophobicContact CD1-CG 4.02Å; F358-R518 HydrophobicContact CD2-CB 4.41Å; F358-R518 HydrophobicContact CE1-CB 4.45Å; F358-R518 HydrophobicContact CE1-CG 4.1Å; F358-R518 HydrophobicContact CE2-CB 4.25Å; F358-R518 HydrophobicContact CG-CG 4.27Å; F358-R518 HydrophobicContact CZ-CB 4.25Å; F358-R518 HydrophobicContact CZ-CG 4.4Å; A511-R518 PolarHBondContact O-N 2.97Å; M512-R518 WeakPolarHBondContact O-CG 3.42Å; M512-R518 PolarHBondContact O-NH1 2.7Å; T514-R518 PolarHBondContact O-N 3.25Å; R518-N520 VanDerWaalsContact C-N 3.33Å; R518-L521 PolarHBondContact O-N 3.33Å; R518-H522 WeakPolarHBondContact O-CB 3.48Å; R518-H522 PolarHBondContact O-N 2.86Å
519	K	89.8	Confident	93.5	Very high	35 Å²	35	31.3 Å²	31.3	15%	0.152	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-39.7	172.8	-72.2	159.1	171.3	-172.1	0	112.1	Y336 L353 N515 N516 G517 H522 A523	Y336-K519 HydrophobicContact CD1-CB 3.76Å; Y336-K519 HydrophobicContact CD1-CD 4.49Å; Y336-K519 HydrophobicContact CD1-CG 3.92Å; Y336-K519 HydrophobicContact CD2-CG 4.16Å; Y336-K519 HydrophobicContact CE1-CB 3.55Å; Y336-K519 HydrophobicContact CE1-CD 3.68Å; Y336-K519 HydrophobicContact CE1-CG 3.59Å; Y336-K519 HydrophobicContact CE2-CD 3.84Å; Y336-K519 HydrophobicContact CE2-CG 3.88Å; Y336-K519 HydrophobicContact CG-CB 4.42Å; Y336-K519 HydrophobicContact CG-CG 4.2Å; Y336-K519 VanDerWaalsContact CZ-CE 3.47Å; Y336-K519 VanDerWaalsContact OH-CD 3.27Å; Y336-K519 WeakPolarHBondContact OH-CD 3.35Å; Y336-K519 VanDerWaalsContact OH-CE 3.27Å; Y336-K519 WeakPolarHBondContact OH-CE 3.5Å; Y336-K519 PolarHBondContact OH-NZ 3.29Å; Y336-K519 VanDerWaalsContact OH-NZ 3.12Å; L353-K519 HydrophobicContact CD1-CD 4.23Å; L353-K519 HydrophobicContact CD1-CG 3.41Å; L353-K519 VanDerWaalsContact CD1-CG 3.41Å; L353-K519 HydrophobicContact CD2-CG 4.22Å; L353-K519 HydrophobicContact CG-CG 4.4Å; N515-K519 WeakPolarHBondContact O-CD 3.49Å; N515-K519 VanDerWaalsContact O-CG 3.24Å; N515-K519 WeakPolarHBondContact O-CG 3.14Å; N515-K519 PolarHBondContact O-N 3.25Å; N515-K519 WeakPolarHBondContact OD1-CE 3.06Å; N516-K519 WeakPolarHBondContact O-CB 3.27Å; N516-K519 PolarHBondContact O-N 2.88Å; G517-K519 VanDerWaalsContact C-N 3.33Å; G517-K519 PolarHBondContact O-N 2.83Å; K519-H522 PolarHBondContact O-N 3.4Å; K519-A523 VanDerWaalsContact O-CB 3.28Å; K519-A523 WeakPolarHBondContact O-CB 3.43Å; K519-A523 PolarHBondContact O-N 3.48Å
520	N	93.2	Very high	93.5	Very high	19 Å²	19	29.7 Å²	29.7	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-67.9	-41.6	178.1	-63	-16.3	0	0	0	110.9	D437 V438 L441 N516 G517 R518 A523 M524	D437-N520 VanDerWaalsContact CB-ND2 3.32Å; D437-N520 WeakPolarHBondContact CB-ND2 3.29Å; V438-N520 HydrophobicContact CG2-CB 4.04Å; L441-N520 HydrophobicContact CD2-CB 4.27Å; N516-N520 PolarHBondContact O-N 2.96Å; N516-N520 PolarHBondContact O-ND2 3.43Å; N516-N520 PolarHBondContact O-OD1 2.91Å; G517-N520 WeakPolarHBondContact O-CB 3.49Å; G517-N520 PolarHBondContact O-N 3.41Å; G517-N520 VanDerWaalsContact O-N 3.1Å; R518-N520 VanDerWaalsContact C-N 3.33Å; N520-A523 PolarHBondContact O-N 3.15Å; N520-M524 WeakPolarHBondContact O-CB 3.46Å; N520-M524 PolarHBondContact O-N 3.49Å
521	L	95	Very high	93.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-47.7	173.2	-69.3	173.8	0	0	0	111.5	F358 L360 L363 L441 H508 A511 M512 G517 R518 A523 M524 T525	F358-L521 HydrophobicContact CZ-CB 4.4Å; L360-L521 HydrophobicContact CD1-CD1 4.42Å; L363-L521 HydrophobicContact CD2-CB 4.42Å; L441-L521 HydrophobicContact CD2-CD2 3.88Å; L441-L521 HydrophobicContact CD2-CG 4.45Å; H508-L521 HydrophobicContact CB-CD2 4.5Å; H508-L521 VanDerWaalsContact CD2-CD2 3.45Å; H508-L521 WeakPolarHBondContact CD2-CD2 3.2Å; A511-L521 HydrophobicContact CB-CD1 4.04Å; A511-L521 HydrophobicContact CB-CD2 4.37Å; A511-L521 HydrophobicContact CB-CG 4.1Å; M512-L521 HydrophobicContact CG-CD1 3.58Å; G517-L521 WeakPolarHBondContact O-CG 3.28Å; G517-L521 PolarHBondContact O-N 2.98Å; R518-L521 PolarHBondContact O-N 3.33Å; L521-A523 PolarHBondContact O-N 3.08Å; L521-M524 HydrophobicContact CD2-CE 4.06Å; L521-M524 PolarHBondContact O-N 3.08Å; L521-T525 PolarHBondContact O-N 3.21Å; L521-T525 PolarHBondContact O-OG1 2.91Å
522	H	92.6	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-49.6	175.4	-174.2	-76.1	0	0	0	112.1	F332 G334 L363 R518 K519 M524 T525 T526	F332-H522 PolarHBondContact O-NE2 3.15Å; F332-H522 VanDerWaalsContact O-NE2 3.07Å; G334-H522 PolarHBondContact O-CE1 3.3Å; G334-H522 PolarHBondContact O-NE2 2.98Å; G334-H522 VanDerWaalsContact O-NE2 3.07Å; L363-H522 HydrophobicContact CD2-CB 4.49Å; R518-H522 WeakPolarHBondContact O-CB 3.48Å; R518-H522 PolarHBondContact O-N 2.86Å; K519-H522 PolarHBondContact O-N 3.4Å; H522-M524 PolarHBondContact O-N 2.73Å; H522-T525 PolarHBondContact O-N 2.8Å; H522-T526 WeakPolarHBondContact O-CG2 3Å; H522-T526 PolarHBondContact O-N 3.16Å; H522-T526 PolarHBondContact O-OG1 2.86Å
523	A	93	Very high	93.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.2	-46	176.2	0	0	0	0	0	111.7	L337 I434 V438 K519 N520 L521 T525 T526 I527	L337-A523 HydrophobicContact CD1-CB 3.87Å; L337-A523 HydrophobicContact CD2-CB 3.94Å; L337-A523 HydrophobicContact CG-CB 3.87Å; I434-A523 HydrophobicContact CG2-CB 4.11Å; V438-A523 HydrophobicContact CG2-CB 3.73Å; K519-A523 VanDerWaalsContact O-CB 3.28Å; K519-A523 WeakPolarHBondContact O-CB 3.43Å; K519-A523 PolarHBondContact O-N 3.48Å; N520-A523 PolarHBondContact O-N 3.15Å; L521-A523 PolarHBondContact O-N 3.08Å; A523-T525 PolarHBondContact O-N 2.64Å; A523-T526 PolarHBondContact O-N 3.32Å; A523-T526 PolarHBondContact O-OG1 3.28Å; A523-I527 WeakPolarHBondContact O-CB 3.43Å; A523-I527 WeakPolarHBondContact O-CD1 3.21Å; A523-I527 WeakPolarHBondContact O-CG1 3.2Å; A523-I527 PolarHBondContact O-N 2.77Å
524	M	95.7	Very high	93.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-46.4	-179.8	-164.3	178.2	60.4	0	0	111.5	T375 F399 V438 L441 I445 N520 L521 H522 I527 S528	T375-M524 HydrophobicContact CG2-CE 4.02Å; T375-M524 HydrophobicContact CG2-CG 4.05Å; T375-M524 HydrophobicContact CG2-SD 4.23Å; T375-M524 WeakPolarHBondContact OG1-CE 3.43Å; F399-M524 HydrophobicContact CD2-CG 4.5Å; F399-M524 HydrophobicContact CE1-CG 4.32Å; F399-M524 HydrophobicContact CE2-CG 3.45Å; F399-M524 VanDerWaalsContact CE2-CG 3.45Å; F399-M524 HydrophobicContact CE2-SD 4.36Å; F399-M524 HydrophobicContact CZ-CB 4.19Å; F399-M524 HydrophobicContact CZ-CG 3.36Å; V438-M524 HydrophobicContact CG1-CB 3.99Å; V438-M524 HydrophobicContact CG1-CG 4.07Å; L441-M524 HydrophobicContact CD2-CE 4.2Å; L441-M524 HydrophobicContact CD2-SD 4.17Å; L441-M524 HydrophobicContact CG-SD 4.38Å; I445-M524 HydrophobicContact CD1-CE 3.93Å; I445-M524 HydrophobicContact CD1-SD 3.99Å; N520-M524 WeakPolarHBondContact O-CB 3.46Å; N520-M524 PolarHBondContact O-N 3.49Å; L521-M524 HydrophobicContact CD2-CE 4.06Å; L521-M524 PolarHBondContact O-N 3.08Å; H522-M524 PolarHBondContact O-N 2.73Å; M524-I527 PolarHBondContact O-N 3.48Å; M524-S528 PolarHBondContact O-N 2.82Å; M524-S528 PolarHBondContact O-OG 3.21Å
525	T	96.4	Very high	93.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-45.8	176.9	-54.9	0	0	0	0	112.1	F332 L363 L364 L367 L521 H522 A523 I527 S528 F529	F332-T525 HydrophobicContact CD1-CG2 4.06Å; F332-T525 HydrophobicContact CE1-CG2 3.55Å; F332-T525 HydrophobicContact CZ-CG2 4.36Å; L363-T525 HydrophobicContact CD1-CG2 4.42Å; L363-T525 HydrophobicContact CG-CG2 4.19Å; L364-T525 HydrophobicContact CD2-CG2 4.01Å; L367-T525 HydrophobicContact CB-CG2 4.11Å; L367-T525 HydrophobicContact CD2-CG2 3.83Å; L521-T525 PolarHBondContact O-N 3.21Å; L521-T525 PolarHBondContact O-OG1 2.91Å; H522-T525 PolarHBondContact O-N 2.8Å; A523-T525 PolarHBondContact O-N 2.64Å; T525-I527 PolarHBondContact O-N 3.34Å; T525-S528 PolarHBondContact O-N 3.06Å; T525-F529 PolarHBondContact O-N 3.24Å
526	T	94.2	Very high	93.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.6	-35.5	179.8	56.6	0	0	0	0	112.8	I328 F332 H522 A523 F529 L530	I328-T526 HydrophobicContact CG2-CG2 3.59Å; F332-T526 HydrophobicContact CB-CG2 4.06Å; F332-T526 HydrophobicContact CD1-CG2 4.46Å; F332-T526 HydrophobicContact CD2-CG2 3.9Å; F332-T526 HydrophobicContact CE2-CG2 4.48Å; F332-T526 HydrophobicContact CG-CG2 3.87Å; H522-T526 WeakPolarHBondContact O-CG2 3Å; H522-T526 PolarHBondContact O-N 3.16Å; H522-T526 PolarHBondContact O-OG1 2.86Å; A523-T526 PolarHBondContact O-N 3.32Å; A523-T526 PolarHBondContact O-OG1 3.28Å; T526-F529 PolarHBondContact O-N 3.24Å; T526-L530 VanDerWaalsContact O-CG 3.31Å; T526-L530 WeakPolarHBondContact O-CG 3.32Å; T526-L530 PolarHBondContact O-N 3.03Å
527	I	95.8	Very high	93.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-64.1	-47.4	174.1	-69.6	164.8	0	0	0	110.6	L337 A398 F399 L418 L422 V438 A523 M524 T525 F529 L530 F531	L337-I527 HydrophobicContact CD1-CD1 3.9Å; L337-I527 HydrophobicContact CD1-CG1 3.94Å; A398-I527 HydrophobicContact CB-CG2 4.48Å; F399-I527 HydrophobicContact CE1-CB 4.23Å; F399-I527 HydrophobicContact CE1-CD1 4.14Å; F399-I527 HydrophobicContact CE1-CG2 3.74Å; F399-I527 HydrophobicContact CZ-CB 3.98Å; F399-I527 HydrophobicContact CZ-CD1 4.5Å; F399-I527 HydrophobicContact CZ-CG2 3.77Å; L418-I527 HydrophobicContact CD1-CG2 4.09Å; L418-I527 HydrophobicContact CD2-CD1 4.29Å; L422-I527 HydrophobicContact CD1-CD1 3.93Å; L422-I527 HydrophobicContact CD1-CG1 3.94Å; L422-I527 HydrophobicContact CD2-CG1 4.13Å; V438-I527 HydrophobicContact CG1-CD1 4.4Å; A523-I527 WeakPolarHBondContact O-CB 3.43Å; A523-I527 WeakPolarHBondContact O-CD1 3.21Å; A523-I527 WeakPolarHBondContact O-CG1 3.2Å; A523-I527 PolarHBondContact O-N 2.77Å; M524-I527 PolarHBondContact O-N 3.48Å; T525-I527 PolarHBondContact O-N 3.34Å; I527-F529 VanDerWaalsContact C-N 3.3Å; I527-F529 PolarHBondContact O-N 3.14Å; I527-L530 PolarHBondContact O-N 3.38Å; I527-F531 WeakPolarHBondContact O-CB 3.22Å; I527-F531 PolarHBondContact O-N 2.92Å
528	S	97.4	Very high	93.4	Very high	9 Å²	9	16.3 Å²	16.3	6%	0.063	8%	0.082	C	C	.	.	H	α-helix	trans	-60.6	-39.8	176.6	-64.3	0	0	0	0	112.2	T375 M524 T525 F531 N532	T375-S528 WeakPolarHBondContact CG2-OG 3.49Å; M524-S528 PolarHBondContact O-N 2.82Å; M524-S528 PolarHBondContact O-OG 3.21Å; T525-S528 PolarHBondContact O-N 3.06Å; S528-F531 PolarHBondContact O-N 2.92Å; S528-N532 VanDerWaalsContact O-CG 3.3Å; S528-N532 PolarHBondContact O-N 3.15Å; S528-N532 VanDerWaalsContact O-N 3.11Å; S528-N532 PolarHBondContact O-ND2 3.1Å
529	F	97.9	Very high	93.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-46.5	175.6	178.7	-87.3	0	0	0	112.7	L327 I328 L331 F332 L367 Q370 T525 T526 I527 F531 N532 I533 Y657	L327-F529 HydrophobicContact CD2-CE1 3.71Å; L327-F529 HydrophobicContact CD2-CZ 3.98Å; L327-F529 HydrophobicContact CG-CE1 4.21Å; L327-F529 HydrophobicContact CG-CZ 4.36Å; I328-F529 HydrophobicContact CD1-CD1 3.41Å; I328-F529 VanDerWaalsContact CD1-CD1 3.41Å; I328-F529 HydrophobicContact CD1-CE1 3.72Å; I328-F529 HydrophobicContact CD1-CG 4.42Å; L331-F529 HydrophobicContact CD1-CE1 4.18Å; L331-F529 HydrophobicContact CD1-CE2 3.6Å; L331-F529 HydrophobicContact CD1-CZ 3.34Å; F332-F529 HydrophobicContact CE2-CB 3.87Å; F332-F529 AromaticContact CE2-CD1 3.89Å; F332-F529 HydrophobicContact CE2-CD1 3.89Å; F332-F529 AromaticContact CE2-CD2 3.76Å; F332-F529 HydrophobicContact CE2-CD2 3.76Å; F332-F529 HydrophobicContact CE2-CE1 4.39Å; F332-F529 HydrophobicContact CE2-CE2 4.26Å; F332-F529 AromaticContact CE2-CG 3.55Å; F332-F529 HydrophobicContact CE2-CG 3.55Å; F332-F529 HydrophobicContact CZ-CB 3.66Å; F332-F529 HydrophobicContact CZ-CD1 4.39Å; F332-F529 AromaticContact CZ-CD2 3.52Å; F332-F529 HydrophobicContact CZ-CD2 3.52Å; F332-F529 HydrophobicContact CZ-CE2 4.27Å; F332-F529 AromaticContact CZ-CG 3.59Å; F332-F529 HydrophobicContact CZ-CG 3.59Å; L367-F529 HydrophobicContact CD1-CB 4.1Å; Q370-F529 HydrophobicContact CB-CE2 4.44Å; Q370-F529 VanDerWaalsContact CD-CD2 3.43Å; Q370-F529 HydrophobicContact CG-CD2 4.41Å; Q370-F529 HydrophobicContact CG-CE2 4.21Å; Q370-F529 PolarHBondContact NE2-O 3.21Å; T525-F529 PolarHBondContact O-N 3.24Å; T526-F529 PolarHBondContact O-N 3.24Å; I527-F529 VanDerWaalsContact C-N 3.3Å; I527-F529 PolarHBondContact O-N 3.14Å; F529-F531 VanDerWaalsContact C-N 3.34Å; F529-N532 PolarHBondContact O-N 3.28Å; F529-I533 HydrophobicContact CE1-CD1 4.34Å; F529-Y657 AromaticContact CE2-CD2 3.65Å; F529-Y657 HydrophobicContact CE2-CD2 3.65Å; F529-Y657 AromaticContact CE2-CE2 3.98Å; F529-Y657 HydrophobicContact CE2-CE2 3.98Å; F529-Y657 AromaticContact CZ-CD2 3.93Å; F529-Y657 HydrophobicContact CZ-CD2 3.93Å; F529-Y657 HydrophobicContact CZ-CG 4.5Å
530	L	96.1	Very high	93.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.5	-37.9	178	-71	166	0	0	0	111.6	V324 I328 W335 L422 L425 T526 I527 N532 I533 K534 L537 F544	V324-L530 HydrophobicContact CG1-CD2 3.82Å; I328-L530 HydrophobicContact CD1-CD2 3.83Å; I328-L530 HydrophobicContact CD1-CG 3.96Å; I328-L530 HydrophobicContact CG1-CD2 4.18Å; W335-L530 HydrophobicContact CH2-CD1 4.48Å; W335-L530 HydrophobicContact CZ2-CD1 3.9Å; L422-L530 HydrophobicContact CD2-CD1 4.16Å; L425-L530 HydrophobicContact CD1-CD1 3.72Å; L425-L530 HydrophobicContact CD1-CD2 3.95Å; L425-L530 HydrophobicContact CD1-CG 4.3Å; T526-L530 VanDerWaalsContact O-CG 3.31Å; T526-L530 WeakPolarHBondContact O-CG 3.32Å; T526-L530 PolarHBondContact O-N 3.03Å; I527-L530 PolarHBondContact O-N 3.38Å; L530-N532 VanDerWaalsContact C-N 3.3Å; L530-N532 PolarHBondContact O-N 3.18Å; L530-I533 HydrophobicContact CD2-CD1 4.36Å; L530-I533 CarbonylContact O-C 3.41Å; L530-I533 VanDerWaalsContact O-CG1 3.25Å; L530-I533 WeakPolarHBondContact O-CG1 3.49Å; L530-I533 PolarHBondContact O-N 3.22Å; L530-I533 VanDerWaalsContact O-N 3.13Å; L530-K534 PolarHBondContact O-N 3.12Å; L530-L537 HydrophobicContact CB-CD1 4.38Å; L530-L537 HydrophobicContact CD2-CD1 4.02Å; L530-F544 HydrophobicContact CB-CZ 3.89Å
531	F	95.1	Very high	93.1	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.026	9%	0.091	C	C	.	.	H	α-helix	trans	-60.7	-38.6	174.9	179.1	-96.1	0	0	0	112.3	E397 A398 A401 I527 S528 F529 I533 K534 Y545	E397-F531 HydrophobicContact CB-CE1 3.93Å; E397-F531 HydrophobicContact CB-CZ 4.3Å; E397-F531 HydrophobicContact CG-CE1 3.78Å; E397-F531 HydrophobicContact CG-CZ 3.8Å; A398-F531 HydrophobicContact CB-CB 3.6Å; A398-F531 HydrophobicContact CB-CD1 3.82Å; A398-F531 HydrophobicContact CB-CD2 4.01Å; A398-F531 HydrophobicContact CB-CE1 4.43Å; A398-F531 HydrophobicContact CB-CG 3.55Å; A401-F531 HydrophobicContact CB-CE2 3.88Å; A401-F531 HydrophobicContact CB-CZ 4.2Å; I527-F531 WeakPolarHBondContact O-CB 3.22Å; I527-F531 PolarHBondContact O-N 2.92Å; S528-F531 PolarHBondContact O-N 2.92Å; F529-F531 VanDerWaalsContact C-N 3.34Å; F531-I533 PolarHBondContact O-N 3.12Å; F531-K534 HydrophobicContact CD2-CD 3.93Å; F531-K534 HydrophobicContact CE2-CD 3.85Å; F531-K534 VanDerWaalsContact CE2-NZ 3.34Å; F531-K534 HydrophobicContact CG-CD 4.4Å; F531-K534 HydrophobicContact CZ-CD 4.25Å; F531-K534 VanDerWaalsContact O-CB 3.26Å; F531-K534 WeakPolarHBondContact O-CB 3.37Å; F531-K534 WeakPolarHBondContact O-CD 3.48Å; F531-K534 WeakPolarHBondContact O-CG 3.01Å; F531-K534 PolarHBondContact O-N 3.43Å; F531-Y545 AromaticContact CD2-CD1 3.61Å; F531-Y545 HydrophobicContact CD2-CD1 3.61Å; F531-Y545 HydrophobicContact CD2-CD2 4.12Å; F531-Y545 AromaticContact CD2-CE1 3.52Å; F531-Y545 HydrophobicContact CD2-CE1 3.52Å; F531-Y545 HydrophobicContact CD2-CE2 4.06Å; F531-Y545 AromaticContact CD2-CG 3.89Å; F531-Y545 HydrophobicContact CD2-CG 3.89Å; F531-Y545 AromaticContact CD2-CZ 3.75Å; F531-Y545 AromaticContact CE2-CD1 3.62Å; F531-Y545 HydrophobicContact CE2-CD1 3.62Å; F531-Y545 AromaticContact CE2-CE1 3.67Å; F531-Y545 HydrophobicContact CE2-CE1 3.67Å; F531-Y545 HydrophobicContact CE2-CG 4.23Å
532	N	94.4	Very high	92.8	Very high	58 Å²	58	23.5 Å²	23.5	31%	0.31	12%	0.119	S	C	.	.	H	α-helix	trans	-65.7	-18.9	177	-69.9	-17.6	0	0	0	113.6	L367 Q370 S528 F529 L530 Q660	L367-N532 VanDerWaalsContact CD1-ND2 3.35Å; L367-N532 WeakPolarHBondContact CD1-ND2 3.09Å; Q370-N532 PolarHBondContact OE1-ND2 3.42Å; S528-N532 VanDerWaalsContact O-CG 3.3Å; S528-N532 PolarHBondContact O-N 3.15Å; S528-N532 VanDerWaalsContact O-N 3.11Å; S528-N532 PolarHBondContact O-ND2 3.1Å; F529-N532 PolarHBondContact O-N 3.28Å; L530-N532 VanDerWaalsContact C-N 3.3Å; L530-N532 PolarHBondContact O-N 3.18Å; N532-Q660 PolarHBondContact O-NE2 3.34Å
533	I	93.3	Very high	92.6	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	16	172.8	59.8	167.2	0	0	0	113	L327 F529 L530 F531 N535 I536 L537 V656 Q660	L327-I533 HydrophobicContact CD2-CD1 4.42Å; F529-I533 HydrophobicContact CE1-CD1 4.34Å; L530-I533 HydrophobicContact CD2-CD1 4.36Å; L530-I533 CarbonylContact O-C 3.41Å; L530-I533 VanDerWaalsContact O-CG1 3.25Å; L530-I533 WeakPolarHBondContact O-CG1 3.49Å; L530-I533 PolarHBondContact O-N 3.22Å; L530-I533 VanDerWaalsContact O-N 3.13Å; F531-I533 PolarHBondContact O-N 3.12Å; I533-N535 VanDerWaalsContact C-N 3.28Å; I533-N535 PolarHBondContact O-N 3.38Å; I533-I536 WeakPolarHBondContact O-CB 3.32Å; I533-I536 PolarHBondContact O-N 2.99Å; I533-L537 HydrophobicContact CD1-CD1 4Å; I533-L537 HydrophobicContact CD1-CD2 4.36Å; I533-L537 HydrophobicContact CD1-CG 4.09Å; I533-L537 HydrophobicContact CG1-CD1 3.81Å; I533-L537 HydrophobicContact CG1-CG 4.09Å; I533-L537 PolarHBondContact O-N 3.44Å; I533-V656 HydrophobicContact CG2-CG1 4.17Å; I533-Q660 VanDerWaalsContact CG2-OE1 3.25Å
534	K	92.6	Very high	92.4	Very high	41 Å²	41	28.9 Å²	28.9	18%	0.178	15%	0.145	C	C	.	.	H	α-helix	trans	-52.2	-42.5	-177.9	68.7	-166.8	172.6	-163.5	0	113	E397 L530 F531 I536 L537 N538 F544	E397-K534 IonicContact OE1-NZ 2.68Å; L530-K534 PolarHBondContact O-N 3.12Å; F531-K534 HydrophobicContact CD2-CD 3.93Å; F531-K534 HydrophobicContact CE2-CD 3.85Å; F531-K534 VanDerWaalsContact CE2-NZ 3.34Å; F531-K534 HydrophobicContact CG-CD 4.4Å; F531-K534 HydrophobicContact CZ-CD 4.25Å; F531-K534 VanDerWaalsContact O-CB 3.26Å; F531-K534 WeakPolarHBondContact O-CB 3.37Å; F531-K534 WeakPolarHBondContact O-CD 3.48Å; F531-K534 WeakPolarHBondContact O-CG 3.01Å; F531-K534 PolarHBondContact O-N 3.43Å; K534-I536 PolarHBondContact O-N 2.75Å; K534-L537 CarbonylContact O-C 3.56Å; K534-L537 PolarHBondContact O-N 3.41Å; K534-L537 VanDerWaalsContact O-N 3.11Å; K534-N538 WeakPolarHBondContact O-CB 3.24Å; K534-N538 PolarHBondContact O-N 2.99Å; K534-N538 PolarHBondContact O-OD1 3.36Å; K534-F544 HydrophobicContact CB-CD1 4.11Å; K534-F544 HydrophobicContact CB-CE1 3.87Å
535	N	88.1	Confident	92.1	Very high	85 Å²	85	29.5 Å²	29.5	46%	0.455	15%	0.147	S	C	.	.	H	α-helix	trans	-61.4	-33	-179.6	-61.9	-31.7	0	0	0	112.9	I533	I533-N535 VanDerWaalsContact C-N 3.28Å; I533-N535 PolarHBondContact O-N 3.38Å
536	I	89.7	Confident	91.3	Very high	33 Å²	33	32.9 Å²	32.9	17%	0.169	17%	0.169	C	C	.	.	H	α-helix	trans	-77.3	-43.3	176.6	-62.8	171.3	0	0	0	109.5	I533 K534 N538 R539 Y540 Y652 F653 V656	I533-I536 WeakPolarHBondContact O-CB 3.32Å; I533-I536 PolarHBondContact O-N 2.99Å; K534-I536 PolarHBondContact O-N 2.75Å; I536-N538 VanDerWaalsContact C-N 3.29Å; I536-N538 PolarHBondContact O-N 2.66Å; I536-R539 WeakPolarHBondContact O-CB 2.87Å; I536-R539 PolarHBondContact O-N 2.83Å; I536-Y540 HydrophobicContact CG2-CE2 4.42Å; I536-Y540 VanDerWaalsContact O-CD2 3.32Å; I536-Y540 WeakPolarHBondContact O-CD2 3.36Å; I536-Y540 WeakPolarHBondContact O-CE2 3.29Å; I536-Y652 HydrophobicContact CG2-CE1 3.85Å; I536-F653 HydrophobicContact CG2-CE1 4.15Å; I536-V656 HydrophobicContact CD1-CB 4.24Å; I536-V656 HydrophobicContact CD1-CG1 3.25Å; I536-V656 HydrophobicContact CD1-CG2 3.9Å
537	L	91.8	Very high	90.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-35.2	175.9	-68.1	174.3	0	0	0	112.2	V324 L425 L530 I533 K534 R539 Y540 F541 F544 F653	V324-L537 HydrophobicContact CG2-CD2 3.72Å; L425-L537 HydrophobicContact CD1-CD1 4.34Å; L425-L537 HydrophobicContact CD2-CD1 4.16Å; L425-L537 HydrophobicContact CD2-CD2 4.07Å; L530-L537 HydrophobicContact CB-CD1 4.38Å; L530-L537 HydrophobicContact CD2-CD1 4.02Å; I533-L537 HydrophobicContact CD1-CD1 4Å; I533-L537 HydrophobicContact CD1-CD2 4.36Å; I533-L537 HydrophobicContact CD1-CG 4.09Å; I533-L537 HydrophobicContact CG1-CD1 3.81Å; I533-L537 HydrophobicContact CG1-CG 4.09Å; I533-L537 PolarHBondContact O-N 3.44Å; K534-L537 CarbonylContact O-C 3.56Å; K534-L537 PolarHBondContact O-N 3.41Å; K534-L537 VanDerWaalsContact O-N 3.11Å; L537-R539 PolarHBondContact O-N 3.35Å; L537-R539 VanDerWaalsContact O-N 3.17Å; L537-Y540 PolarHBondContact O-N 3.1Å; L537-F541 HydrophobicContact CD2-CD2 4.44Å; L537-F541 PolarHBondContact O-N 3.34Å; L537-F544 HydrophobicContact CB-CD1 3.72Å; L537-F544 HydrophobicContact CB-CE1 4.16Å; L537-F544 HydrophobicContact CB-CG 4.42Å; L537-F544 HydrophobicContact CD1-CD1 3.79Å; L537-F544 HydrophobicContact CD1-CE1 3.39Å; L537-F544 HydrophobicContact CD1-CZ 3.85Å; L537-F544 HydrophobicContact CG-CD1 4.42Å; L537-F544 HydrophobicContact CG-CE1 4.41Å; L537-F653 HydrophobicContact CD2-CE1 3.83Å; L537-F653 HydrophobicContact CD2-CZ 4.37Å
538	N	88.8	Confident	88.7	Confident	29 Å²	29	42.2 Å²	42.2	16%	0.155	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.2	179.4	-69.4	13.3	0	0	0	112.9	K534 I536 Y540 P542 F544 Y545	K534-N538 WeakPolarHBondContact O-CB 3.24Å; K534-N538 PolarHBondContact O-N 2.99Å; K534-N538 PolarHBondContact O-OD1 3.36Å; I536-N538 VanDerWaalsContact C-N 3.29Å; I536-N538 PolarHBondContact O-N 2.66Å; N538-Y540 PolarHBondContact O-N 2.69Å; N538-P542 WeakPolarHBondContact O-CA 3.29Å; N538-F544 PolarHBondContact OD1-O 2.86Å; N538-Y545 PolarHBondContact ND2-O 2.84Å
539	R	86.7	Confident	86.9	Confident	91 Å²	91	47.3 Å²	47.3	34%	0.343	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.3	171.1	-167	-179.4	-150.4	149.5	9.3	112	I536 L537	I536-R539 WeakPolarHBondContact O-CB 2.87Å; I536-R539 PolarHBondContact O-N 2.83Å; L537-R539 PolarHBondContact O-N 3.35Å; L537-R539 VanDerWaalsContact O-N 3.17Å
540	Y	89.5	Confident	84.8	Confident	27 Å²	27	52.9 Å²	52.9	11%	0.106	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-33.1	-175.6	-51.8	-79.4	0	0	0	112.3	S312 I320 I536 L537 N538 Y652 F653	S312-Y540 WeakPolarHBondContact CB-OH 3.44Å; S312-Y540 PolarHBondContact OG-OH 3.29Å; I320-Y540 HydrophobicContact CD1-CD1 4.08Å; I320-Y540 HydrophobicContact CD1-CE1 3.85Å; I320-Y540 HydrophobicContact CG1-CD1 3.89Å; I320-Y540 HydrophobicContact CG1-CE1 4.18Å; I320-Y540 HydrophobicContact CG1-CG 4.45Å; I320-Y540 HydrophobicContact CG2-CD1 4.14Å; I320-Y540 HydrophobicContact CG2-CD2 4.18Å; I320-Y540 HydrophobicContact CG2-CG 3.84Å; I536-Y540 HydrophobicContact CG2-CE2 4.42Å; I536-Y540 VanDerWaalsContact O-CD2 3.32Å; I536-Y540 WeakPolarHBondContact O-CD2 3.36Å; I536-Y540 WeakPolarHBondContact O-CE2 3.29Å; L537-Y540 PolarHBondContact O-N 3.1Å; N538-Y540 PolarHBondContact O-N 2.69Å; Y540-Y652 HydrophobicContact CE2-CE1 4.5Å; Y540-F653 HydrophobicContact CD2-CZ 4.05Å; Y540-F653 HydrophobicContact CE2-CE1 4.49Å; Y540-F653 AromaticContact CE2-CZ 3.84Å; Y540-F653 HydrophobicContact CE2-CZ 3.84Å
541	F	91.2	Very high	83.2	Confident	15 Å²	15	60.1 Å²	60.1	7%	0.066	32%	0.321	C	S	.	.			trans	-129	77.7	-177.4	-49.6	-76.9	0	0	0	109.6	I317 I320 E321 K424 L425 L537 E543 F544	I317-F541 HydrophobicContact CG2-CE1 3.65Å; I317-F541 HydrophobicContact CG2-CZ 4.26Å; I320-F541 HydrophobicContact CB-CZ 4.5Å; I320-F541 HydrophobicContact CG2-CE2 3.71Å; I320-F541 HydrophobicContact CG2-CZ 3.89Å; E321-F541 HydrophobicContact CG-CE1 4.04Å; E321-F541 HydrophobicContact CG-CZ 3.81Å; K424-F541 HydrophobicContact CB-CB 4.42Å; K424-F541 HydrophobicContact CB-CD1 4.39Å; K424-F541 VanDerWaalsContact O-CD1 3.25Å; K424-F541 WeakPolarHBondContact O-CD1 3.41Å; K424-F541 WeakPolarHBondContact O-CE1 3.22Å; L425-F541 HydrophobicContact CD2-CD2 3.61Å; L425-F541 HydrophobicContact CD2-CE2 3.79Å; L425-F541 HydrophobicContact CD2-CG 4.2Å; L425-F541 HydrophobicContact CD2-CZ 4.5Å; L537-F541 HydrophobicContact CD2-CD2 4.44Å; L537-F541 PolarHBondContact O-N 3.34Å; F541-E543 PolarHBondContact O-N 2.97Å; F541-F544 HydrophobicContact CB-CB 4.03Å; F541-F544 WeakPolarHBondContact O-CB 3.23Å; F541-F544 PolarHBondContact O-N 3.48Å
542	P	87.9	Confident	81.5	Confident	93 Å²	93	69.1 Å²	69.1	60%	0.604	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.6	-174.6	-27.6	35.6	0	0	0	115.1	N538	N538-P542 WeakPolarHBondContact O-CA 3.29Å
543	E	88.1	Confident	80	Confident	113 Å²	113	70 Å²	70	53%	0.528	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.6	178.3	-62.9	175.5	-113.2	0	0	114.4	Y421 K424 F541 Y545	Y421-E543 WeakPolarHBondContact CD1-O 3.32Å; Y421-E543 WeakPolarHBondContact CE1-O 3.4Å; K424-E543 WeakPolarHBondContact CE-OE2 3.32Å; K424-E543 HydrophobicContact CG-CB 4.45Å; K424-E543 IonicContact NZ-OE1 3.15Å; K424-E543 PolarHBondContact NZ-OE1 3.45Å; K424-E543 IonicContact NZ-OE2 2.71Å; K424-E543 PolarHBondContact NZ-OE2 3.34Å; F541-E543 PolarHBondContact O-N 2.97Å; E543-Y545 PolarHBondContact O-N 2.82Å
544	F	90.7	Very high	79	Confident	1 Å²	1	73.4 Å²	73.4	0%	0.004	39%	0.391	C	S	.	.	S	Bend	trans	-75.5	108.3	176.7	178.3	-99.5	0	0	0	109.3	L422 L425 L530 K534 L537 N538 F541	L422-F544 HydrophobicContact CD2-CE2 4.47Å; L425-F544 HydrophobicContact CD1-CD2 3.94Å; L425-F544 HydrophobicContact CD1-CE2 3.52Å; L425-F544 HydrophobicContact CD1-CZ 4.08Å; L425-F544 HydrophobicContact CD2-CD2 4.14Å; L425-F544 HydrophobicContact CD2-CE2 4.49Å; L425-F544 HydrophobicContact CD2-CG 4.42Å; L425-F544 HydrophobicContact CG-CD2 3.97Å; L425-F544 HydrophobicContact CG-CE2 4.08Å; L530-F544 HydrophobicContact CB-CZ 3.89Å; K534-F544 HydrophobicContact CB-CD1 4.11Å; K534-F544 HydrophobicContact CB-CE1 3.87Å; L537-F544 HydrophobicContact CB-CD1 3.72Å; L537-F544 HydrophobicContact CB-CE1 4.16Å; L537-F544 HydrophobicContact CB-CG 4.42Å; L537-F544 HydrophobicContact CD1-CD1 3.79Å; L537-F544 HydrophobicContact CD1-CE1 3.39Å; L537-F544 HydrophobicContact CD1-CZ 3.85Å; L537-F544 HydrophobicContact CG-CD1 4.42Å; L537-F544 HydrophobicContact CG-CE1 4.41Å; N538-F544 PolarHBondContact OD1-O 2.86Å; F541-F544 HydrophobicContact CB-CB 4.03Å; F541-F544 WeakPolarHBondContact O-CB 3.23Å; F541-F544 PolarHBondContact O-N 3.48Å
545	Y	88.8	Confident	78.5	Confident	12 Å²	12	73.5 Å²	73.5	5%	0.047	40%	0.396	C	S	.	.	S	Bend	trans	44.7	63.3	-175.9	-76.3	-85.9	0	0	0	113.2	A398 A401 V402 L418 Y421 F531 N538 E543 S547	A398-Y545 WeakPolarHBondContact O-CE1 3.49Å; A398-Y545 PolarHBondContact O-OH 3.4Å; A401-Y545 HydrophobicContact CB-CD1 4.33Å; A401-Y545 HydrophobicContact CB-CE1 4.06Å; V402-Y545 HydrophobicContact CG1-CE1 3.85Å; L418-Y545 HydrophobicContact CD1-CE2 4.29Å; L418-Y545 VanDerWaalsContact CD1-OH 3.26Å; L418-Y545 WeakPolarHBondContact CD1-OH 3.09Å; Y421-Y545 AromaticContact CD2-CD1 3.94Å; Y421-Y545 HydrophobicContact CD2-CD1 3.94Å; Y421-Y545 AromaticContact CD2-CD2 3.75Å; Y421-Y545 HydrophobicContact CD2-CD2 3.75Å; Y421-Y545 HydrophobicContact CD2-CE1 4.04Å; Y421-Y545 AromaticContact CD2-CE2 3.83Å; Y421-Y545 HydrophobicContact CD2-CE2 3.83Å; Y421-Y545 AromaticContact CD2-CG 3.83Å; Y421-Y545 HydrophobicContact CD2-CG 3.83Å; Y421-Y545 AromaticContact CD2-CZ 4Å; Y421-Y545 AromaticContact CE2-CD1 3.82Å; Y421-Y545 HydrophobicContact CE2-CD1 3.82Å; Y421-Y545 HydrophobicContact CE2-CD2 4.41Å; Y421-Y545 HydrophobicContact CE2-CE1 4.09Å; Y421-Y545 HydrophobicContact CE2-CG 4.02Å; Y421-Y545 HydrophobicContact CG-CD2 4.34Å; F531-Y545 AromaticContact CD2-CD1 3.61Å; F531-Y545 HydrophobicContact CD2-CD1 3.61Å; F531-Y545 HydrophobicContact CD2-CD2 4.12Å; F531-Y545 AromaticContact CD2-CE1 3.52Å; F531-Y545 HydrophobicContact CD2-CE1 3.52Å; F531-Y545 HydrophobicContact CD2-CE2 4.06Å; F531-Y545 AromaticContact CD2-CG 3.89Å; F531-Y545 HydrophobicContact CD2-CG 3.89Å; F531-Y545 AromaticContact CD2-CZ 3.75Å; F531-Y545 AromaticContact CE2-CD1 3.62Å; F531-Y545 HydrophobicContact CE2-CD1 3.62Å; F531-Y545 AromaticContact CE2-CE1 3.67Å; F531-Y545 HydrophobicContact CE2-CE1 3.67Å; F531-Y545 HydrophobicContact CE2-CG 4.23Å; N538-Y545 PolarHBondContact ND2-O 2.84Å; E543-Y545 PolarHBondContact O-N 2.82Å; Y545-S547 PolarHBondContact O-N 2.63Å
546	P	79.9	Confident	78.6	Confident	72 Å²	72	70 Å²	70	47%	0.468	38%	0.379	S	S	.	.			trans	-59.2	131.7	-175.6	26.5	-33.8	0	0	0	109.9	Y421	Y421-P546 HydrophobicContact CE1-CG 4.49Å
547	S	69.8	Low	78.4	Confident	55 Å²	55	68.9 Å²	68.9	39%	0.385	37%	0.373	S	S	.	.			trans	-84.8	134.7	177.1	-65.4	0	0	0	0	110	Y545 I549	Y545-S547 PolarHBondContact O-N 2.63Å; S547-I549 VanDerWaalsContact C-N 3.26Å; S547-I549 PolarHBondContact O-N 2.67Å
548	T	65.8	Low	78.1	Confident	143 Å²	143	72 Å²	72	88%	0.877	39%	0.389	S	S	*	.	S	Bend	trans	-66.2	-31.7	174.5	50.9	0	0	0	0	112.1	P550	T548-P550 WeakPolarHBondContact O-CD 3.45Å
549	I	58.5	Low	78.1	Confident	116 Å²	116	71.2 Å²	71.2	60%	0.595	39%	0.385	S	S	*	.	S	Bend	trans	-96.3	114.6	176.5	-56.3	170.6	0	0	0	107.7	S547 K551	S547-I549 VanDerWaalsContact C-N 3.26Å; S547-I549 PolarHBondContact O-N 2.67Å; I549-K551 VanDerWaalsContact C-N 3.33Å; I549-K551 PolarHBondContact O-N 2.62Å
550	P	54.4	Low	78.3	Confident	116 Å²	116	66.9 Å²	66.9	75%	0.753	37%	0.368	S	S	*	.			trans	-65.2	95.6	171.6	25.4	-30.4	0	0	0	108.8	T548	T548-P550 WeakPolarHBondContact O-CD 3.45Å
551	K	61.2	Low	78.1	Confident	152 Å²	152	66.7 Å²	66.7	66%	0.661	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-77.1	124.3	167.6	-71	-172.8	177.6	-176	0	107.4	I549	I549-K551 VanDerWaalsContact C-N 3.33Å; I549-K551 PolarHBondContact O-N 2.62Å
552	K	61	Low	77.7	Confident	195 Å²	195	69.6 Å²	69.6	85%	0.848	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-54.1	128.4	169.5	-172.9	179.1	179.4	-176.9	0	107.5	T554	K552-T554 PolarHBondContact O-N 3.11Å
553	P	63.1	Low	77.7	Confident	78 Å²	78	65.2 Å²	65.2	51%	0.506	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-58.9	137.9	179.1	23.3	-32.4	0	0	0	109.4	S555	P553-S555 PolarHBondContact O-N 3.16Å
554	T	70.9	Confident	77.8	Confident	75 Å²	75	59.8 Å²	59.8	46%	0.46	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-52.8	132.3	172.5	-51.4	0	0	0	0	108.9	K552 D558 E559	K552-T554 PolarHBondContact O-N 3.11Å; T554-D558 HydrophobicContact CG2-CB 3.66Å; T554-E559 HydrophobicContact CG2-CG 3.77Å
555	S	82.5	Confident	77.5	Confident	42 Å²	42	61.7 Å²	61.7	29%	0.294	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-75.1	152.2	176.5	79.8	0	0	0	0	109.6	P553 I557 D558 E559	P553-S555 PolarHBondContact O-N 3.16Å; S555-I557 PolarHBondContact O-N 3.31Å; S555-I557 VanDerWaalsContact O-N 3.13Å; S555-D558 WeakPolarHBondContact CB-OD2 3.38Å; S555-D558 PolarHBondContact N-OD2 2.96Å; S555-D558 WeakPolarHBondContact O-CB 3.3Å; S555-D558 PolarHBondContact O-N 3.44Å; S555-D558 PolarHBondContact OG-N 3.03Å; S555-D558 PolarHBondContact OG-OD2 3.45Å; S555-E559 PolarHBondContact O-N 2.97Å; S555-E559 VanDerWaalsContact O-N 3.17Å
556	C	90	Very high	77.1	Confident	12 Å²	12	61.5 Å²	61.5	8%	0.081	34%	0.335	C	S	.	.	H	α-helix	trans	-59.7	-26.3	176.3	-65.3	0	0	0	0	112.5	Y306 C309 T310 V560	Y306-C556 HydrophobicContact CD2-CB 4.04Å; Y306-C556 HydrophobicContact CE2-CB 3.94Å; C309-C556 HydrophobicContact CB-CB 3.71Å; C309-C556 WeakPolarHBondContact CB-SG 3.4Å; C309-C556 PolarHBondContact O-SG 3.23Å; C309-C556 WeakPolarHBondContact SG-CA 3.44Å; C309-C556 WeakPolarHBondContact SG-CB 2.88Å; C309-C556 CovalentContact SG-SG 2.05Å; C309-C556 PolarHBondContact SG-SG 3.35Å; T310-C556 HydrophobicContact CG2-CB 3.99Å; C556-V560 WeakPolarHBondContact O-CB 3.26Å; C556-V560 VanDerWaalsContact O-CG2 3.24Å; C556-V560 WeakPolarHBondContact O-CG2 3.47Å; C556-V560 PolarHBondContact O-N 2.8Å
557	I	86.9	Confident	77.4	Confident	9 Å²	9	58.1 Å²	58.1	5%	0.046	31%	0.313	C	S	.	.	H	α-helix	trans	-70.9	-36.9	174.6	-68	-63	0	0	0	111.6	D281 I284 I285 L288 Y306 S555 V560 K561	D281-I557 HydrophobicContact CB-CG2 4.3Å; I284-I557 HydrophobicContact CG2-CD1 3.95Å; I285-I557 HydrophobicContact CB-CD1 4.43Å; I285-I557 HydrophobicContact CD1-CD1 4.35Å; I285-I557 HydrophobicContact CD1-CG1 4.05Å; I285-I557 HydrophobicContact CG1-CD1 3.37Å; I285-I557 HydrophobicContact CG1-CG1 3.61Å; L288-I557 HydrophobicContact CD1-CD1 4.15Å; Y306-I557 HydrophobicContact CD2-CD1 3.9Å; Y306-I557 HydrophobicContact CE2-CD1 3.3Å; Y306-I557 HydrophobicContact CE2-CG1 3.83Å; S555-I557 PolarHBondContact O-N 3.31Å; S555-I557 VanDerWaalsContact O-N 3.13Å; I557-V560 PolarHBondContact O-N 2.69Å; I557-K561 HydrophobicContact CG2-CD 4.09Å; I557-K561 HydrophobicContact CG2-CG 4.32Å; I557-K561 VanDerWaalsContact O-CB 3.29Å; I557-K561 WeakPolarHBondContact O-CB 3.41Å; I557-K561 VanDerWaalsContact O-CG 3.22Å; I557-K561 WeakPolarHBondContact O-CG 3.23Å; I557-K561 PolarHBondContact O-N 3.42Å
558	D	83.6	Confident	78.1	Confident	65 Å²	65	55.5 Å²	55.5	35%	0.348	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-40.6	176	-58.3	-41.9	0	0	0	111.1	T554 S555 K561 E562	T554-D558 HydrophobicContact CG2-CB 3.66Å; S555-D558 WeakPolarHBondContact CB-OD2 3.38Å; S555-D558 PolarHBondContact N-OD2 2.96Å; S555-D558 WeakPolarHBondContact O-CB 3.3Å; S555-D558 PolarHBondContact O-N 3.44Å; S555-D558 PolarHBondContact OG-N 3.03Å; S555-D558 PolarHBondContact OG-OD2 3.45Å; D558-K561 PolarHBondContact O-N 3.11Å; D558-K561 IonicContact OD1-NZ 2.72Å; D558-E562 WeakPolarHBondContact O-CB 3.42Å; D558-E562 PolarHBondContact O-N 3.34Å
559	E	88.8	Confident	78.7	Confident	13 Å²	13	48.7 Å²	48.7	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-43.3	174.7	-61.8	-176.7	-151.6	0	0	111.6	Y305 T554 S555 E562 N563 Y652	Y305-E559 HydrophobicContact CE1-CB 3.72Å; Y305-E559 PolarHBondContact OH-OE2 3.39Å; T554-E559 HydrophobicContact CG2-CG 3.77Å; S555-E559 PolarHBondContact O-N 2.97Å; S555-E559 VanDerWaalsContact O-N 3.17Å; E559-E562 PolarHBondContact O-N 2.76Å; E559-N563 PolarHBondContact O-N 2.99Å; E559-N563 VanDerWaalsContact O-N 3.1Å; E559-N563 PolarHBondContact O-ND2 2.89Å; E559-Y652 PolarHBondContact OE1-OH 3.21Å; E559-Y652 PolarHBondContact OE2-OH 2.86Å
560	V	91.4	Very high	79.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.8	-39.6	177.6	169.3	0	0	0	0	111.5	L288 Y305 Y306 C556 I557 E562 N563 F564 I568	L288-V560 HydrophobicContact CD1-CG1 3.75Å; L288-V560 HydrophobicContact CD2-CG1 4.46Å; Y305-V560 HydrophobicContact CD1-CG2 3.89Å; Y306-V560 HydrophobicContact CD2-CG2 3.95Å; Y306-V560 HydrophobicContact CG-CG2 4.3Å; C556-V560 WeakPolarHBondContact O-CB 3.26Å; C556-V560 VanDerWaalsContact O-CG2 3.24Å; C556-V560 WeakPolarHBondContact O-CG2 3.47Å; C556-V560 PolarHBondContact O-N 2.8Å; I557-V560 PolarHBondContact O-N 2.69Å; V560-E562 VanDerWaalsContact C-N 3.29Å; V560-E562 PolarHBondContact O-N 3.26Å; V560-N563 PolarHBondContact O-N 2.88Å; V560-F564 HydrophobicContact CG1-CB 4.49Å; V560-F564 HydrophobicContact CG1-CD2 4.28Å; V560-F564 PolarHBondContact O-N 2.85Å; V560-I568 HydrophobicContact CG1-CD1 3.67Å
561	K	85.3	Confident	80.9	Confident	24 Å²	24	44 Å²	44	10%	0.104	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-41	175.4	-82.9	172.7	-174.9	165.4	0	112.3	D281 I284 I557 D558 F681	D281-K561 VanDerWaalsContact CG-NZ 3.33Å; D281-K561 WeakPolarHBondContact OD1-CE 3.22Å; D281-K561 IonicContact OD1-NZ 3.61Å; D281-K561 PolarHBondContact OD1-NZ 3.25Å; D281-K561 IonicContact OD2-NZ 2.93Å; D281-K561 PolarHBondContact OD2-NZ 3.27Å; I284-K561 HydrophobicContact CD1-CD 4.21Å; I284-K561 HydrophobicContact CD1-CG 3.72Å; I557-K561 HydrophobicContact CG2-CD 4.09Å; I557-K561 HydrophobicContact CG2-CG 4.32Å; I557-K561 VanDerWaalsContact O-CB 3.29Å; I557-K561 WeakPolarHBondContact O-CB 3.41Å; I557-K561 VanDerWaalsContact O-CG 3.22Å; I557-K561 WeakPolarHBondContact O-CG 3.23Å; I557-K561 PolarHBondContact O-N 3.42Å; D558-K561 PolarHBondContact O-N 3.11Å; D558-K561 IonicContact OD1-NZ 2.72Å; K561-F681 HydrophobicContact CB-CE2 3.69Å; K561-F681 HydrophobicContact CB-CZ 3.82Å; K561-F681 HydrophobicContact CD-CE2 4.42Å; K561-F681 HydrophobicContact CG-CE2 3.78Å; K561-F681 HydrophobicContact CG-CZ 3.84Å; K561-F681 VanDerWaalsContact O-CZ 3.31Å; K561-F681 WeakPolarHBondContact O-CZ 3.36Å
562	E	83.2	Confident	81.3	Confident	75 Å²	75	37.7 Å²	37.7	35%	0.35	19%	0.188	S	C	.	.	H	α-helix	trans	-68.7	-38.2	-179.4	-172	174.4	-168.2	0	0	112.2	D558 E559 V560 K663	D558-E562 WeakPolarHBondContact O-CB 3.42Å; D558-E562 PolarHBondContact O-N 3.34Å; E559-E562 PolarHBondContact O-N 2.76Å; V560-E562 VanDerWaalsContact C-N 3.29Å; V560-E562 PolarHBondContact O-N 3.26Å; E562-K663 VanDerWaalsContact OE1-CD 3.26Å; E562-K663 WeakPolarHBondContact OE1-CD 3.41Å; E562-K663 WeakPolarHBondContact OE1-CE 3.23Å; E562-K663 IonicContact OE1-NZ 3.89Å; E562-K663 PolarHBondContact OE1-NZ 2.74Å; E562-K663 VanDerWaalsContact OE2-CE 3.3Å; E562-K663 WeakPolarHBondContact OE2-CE 3.42Å; E562-K663 IonicContact OE2-NZ 2.63Å; E562-K663 PolarHBondContact OE2-NZ 3.48Å
563	N	88.9	Confident	81.1	Confident	1 Å²	1	37 Å²	37	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-92.5	-34.5	-173.9	-69	-66.3	0	0	0	114.5	Y305 E559 V560 I642 S659	Y305-N563 PolarHBondContact OH-ND2 2.76Å; E559-N563 PolarHBondContact O-N 2.99Å; E559-N563 VanDerWaalsContact O-N 3.1Å; E559-N563 PolarHBondContact O-ND2 2.89Å; V560-N563 PolarHBondContact O-N 2.88Å; N563-I642 HydrophobicContact CB-CG1 4.38Å; N563-S659 WeakPolarHBondContact ND2-CB 3.29Å; N563-S659 PolarHBondContact ND2-OG 3.18Å; N563-S659 VanDerWaalsContact OD1-CA 3.3Å; N563-S659 WeakPolarHBondContact OD1-CA 3.2Å; N563-S659 WeakPolarHBondContact OD1-CB 3.32Å; N563-S659 PolarHBondContact OD1-OG 3.09Å
564	F	90.2	Very high	80.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-120.2	30.7	-169.4	-59.2	-82.5	0	0	0	112.9	A302 Y305 V560 W566 T567 I568 I642 F643 I647	A302-F564 HydrophobicContact CB-CB 3.66Å; A302-F564 HydrophobicContact CB-CD1 3.69Å; A302-F564 HydrophobicContact CB-CD2 4.01Å; A302-F564 HydrophobicContact CB-CE1 4.36Å; A302-F564 HydrophobicContact CB-CG 3.49Å; A302-F564 VanDerWaalsContact CB-CG 3.49Å; Y305-F564 VanDerWaalsContact CB-CE2 3.42Å; Y305-F564 HydrophobicContact CD1-CE2 4.3Å; Y305-F564 AromaticContact CD2-CE2 3.6Å; Y305-F564 HydrophobicContact CD2-CE2 3.6Å; Y305-F564 AromaticContact CD2-CZ 3.95Å; Y305-F564 HydrophobicContact CD2-CZ 3.95Å; Y305-F564 HydrophobicContact CE2-CE2 4.42Å; Y305-F564 AromaticContact CG-CE2 3.52Å; Y305-F564 HydrophobicContact CG-CE2 3.52Å; Y305-F564 HydrophobicContact CG-CZ 4.15Å; V560-F564 HydrophobicContact CG1-CB 4.49Å; V560-F564 HydrophobicContact CG1-CD2 4.28Å; V560-F564 PolarHBondContact O-N 2.85Å; F564-W566 PolarHBondContact O-N 3.29Å; F564-T567 WeakPolarHBondContact O-CB 3.27Å; F564-T567 PolarHBondContact O-N 3.09Å; F564-I568 HydrophobicContact CB-CD1 4.27Å; F564-I568 HydrophobicContact CB-CG1 4.45Å; F564-I568 WeakPolarHBondContact O-CD1 3.22Å; F564-I568 VanDerWaalsContact O-CG1 3.32Å; F564-I568 WeakPolarHBondContact O-CG1 3.42Å; F564-I568 PolarHBondContact O-N 2.76Å; F564-I642 HydrophobicContact CD1-CG2 4.39Å; F564-I642 HydrophobicContact CE1-CG1 4.05Å; F564-I642 HydrophobicContact CE1-CG2 4.12Å; F564-I642 HydrophobicContact CZ-CG1 3.87Å; F564-F643 AromaticContact CD1-CE1 3.96Å; F564-F643 HydrophobicContact CD1-CE1 3.96Å; F564-F643 AromaticContact CD1-CZ 3.87Å; F564-F643 HydrophobicContact CD1-CZ 3.87Å; F564-F643 AromaticContact CE1-CE1 3.87Å; F564-F643 HydrophobicContact CE1-CE1 3.87Å; F564-F643 HydrophobicContact CE1-CZ 4.22Å; F564-I647 HydrophobicContact CE1-CG1 4.48Å; F564-I647 HydrophobicContact CZ-CG1 4.14Å; F564-I647 HydrophobicContact CZ-CG2 4.34Å
565	R	83.2	Confident	79.8	Confident	40 Å²	40	37.8 Å²	37.8	15%	0.151	17%	0.173	C	C	.	.	H	α-helix	trans	-50.3	-55.6	-173.9	-175.6	-177.3	-58	-115.8	20.4	113.4	T567 I568 E569 D679 A680 F681	R565-T567 VanDerWaalsContact C-N 3.33Å; R565-T567 PolarHBondContact O-N 3.41Å; R565-I568 PolarHBondContact O-N 3.28Å; R565-E569 WeakPolarHBondContact O-CB 3.48Å; R565-E569 PolarHBondContact O-N 3.26Å; R565-D679 PolarHBondContact NH1-O 3.02Å; R565-D679 PolarHBondContact NH2-O 3.3Å; R565-A680 VanDerWaalsContact NH1-C 3.34Å; R565-A680 VanDerWaalsContact NH1-N 3.17Å; R565-F681 HydrophobicContact CB-CD1 4.49Å; R565-F681 HydrophobicContact CB-CE1 3.87Å; R565-F681 HydrophobicContact CB-CE2 4.33Å; R565-F681 HydrophobicContact CB-CZ 3.76Å; R565-F681 HydrophobicContact CG-CD1 3.59Å; R565-F681 HydrophobicContact CG-CD2 3.98Å; R565-F681 HydrophobicContact CG-CE1 3.45Å; R565-F681 VanDerWaalsContact CG-CE1 3.45Å; R565-F681 HydrophobicContact CG-CE2 3.8Å; R565-F681 HydrophobicContact CG-CG 3.9Å; R565-F681 HydrophobicContact CG-CZ 3.54Å; R565-F681 VanDerWaalsContact O-CE1 3.24Å; R565-F681 WeakPolarHBondContact O-CE1 3.28Å
566	W	80.9	Confident	78.8	Confident	9 Å²	9	40.1 Å²	40.1	3%	0.034	19%	0.189	C	C	.	.	H	α-helix	trans	-68.9	-33.2	-176.1	-56.2	116.5	0	0	0	112.6	F564 E569 K570 L631 R636 E637 D679	F564-W566 PolarHBondContact O-N 3.29Å; W566-E569 PolarHBondContact O-N 2.88Å; W566-K570 PolarHBondContact O-N 3.23Å; W566-L631 HydrophobicContact CH2-CD1 3.81Å; W566-L631 HydrophobicContact CZ3-CD1 3.55Å; W566-R636 HydrophobicContact CD2-CB 3.69Å; W566-R636 HydrophobicContact CD2-CG 4.47Å; W566-R636 HydrophobicContact CE3-CB 4.32Å; W566-R636 HydrophobicContact CG-CB 3.73Å; W566-E637 HydrophobicContact CB-CB 3.76Å; W566-E637 HydrophobicContact CB-CG 4.32Å; W566-D679 HydrophobicContact CZ2-CB 4.26Å
567	T	86.2	Confident	77.7	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-47.6	173.9	-56.7	0	0	0	0	111.4	R298 F299 A302 F564 R565 E569 K570 Y571 E637 F643	R298-T567 HydrophobicContact CB-CG2 4.37Å; F299-T567 VanDerWaalsContact CA-CG2 3.47Å; F299-T567 HydrophobicContact CB-CG2 4.08Å; F299-T567 HydrophobicContact CD2-CG2 4.28Å; A302-T567 HydrophobicContact CB-CG2 4.43Å; F564-T567 WeakPolarHBondContact O-CB 3.27Å; F564-T567 PolarHBondContact O-N 3.09Å; R565-T567 VanDerWaalsContact C-N 3.33Å; R565-T567 PolarHBondContact O-N 3.41Å; T567-E569 VanDerWaalsContact C-N 3.34Å; T567-E569 PolarHBondContact O-N 3.49Å; T567-K570 WeakPolarHBondContact O-CB 3.24Å; T567-K570 PolarHBondContact O-N 3.02Å; T567-Y571 VanDerWaalsContact O-CD2 3.29Å; T567-Y571 WeakPolarHBondContact O-CD2 3.46Å; T567-E637 VanDerWaalsContact CA-OE1 3.28Å; T567-E637 WeakPolarHBondContact CA-OE1 3.08Å; T567-E637 VanDerWaalsContact CB-OE1 3.29Å; T567-E637 WeakPolarHBondContact CB-OE1 3.4Å; T567-E637 PolarHBondContact OG1-OE1 3.46Å; T567-F643 VanDerWaalsContact OG1-CZ 3.28Å; T567-F643 WeakPolarHBondContact OG1-CZ 3.37Å
568	I	84.6	Confident	77.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-42.7	176.7	-64.6	160.4	0	0	0	110.4	F283 I284 L287 V560 F564 R565 K570 Y571 H572 F681 F683	F283-I568 HydrophobicContact CE1-CG2 4.35Å; I284-I568 HydrophobicContact CD1-CG2 4.33Å; I284-I568 HydrophobicContact CG1-CG2 3.87Å; I284-I568 HydrophobicContact CG2-CD1 4.23Å; L287-I568 HydrophobicContact CD2-CG2 4.2Å; V560-I568 HydrophobicContact CG1-CD1 3.67Å; F564-I568 HydrophobicContact CB-CD1 4.27Å; F564-I568 HydrophobicContact CB-CG1 4.45Å; F564-I568 WeakPolarHBondContact O-CD1 3.22Å; F564-I568 VanDerWaalsContact O-CG1 3.32Å; F564-I568 WeakPolarHBondContact O-CG1 3.42Å; F564-I568 PolarHBondContact O-N 2.76Å; R565-I568 PolarHBondContact O-N 3.28Å; I568-K570 VanDerWaalsContact C-N 3.32Å; I568-K570 PolarHBondContact O-N 2.88Å; I568-Y571 PolarHBondContact O-N 3.34Å; I568-Y571 VanDerWaalsContact O-N 3.09Å; I568-H572 PolarHBondContact O-N 3.35Å; I568-H572 VanDerWaalsContact O-N 3.15Å; I568-F681 HydrophobicContact CB-CE1 4.02Å; I568-F681 HydrophobicContact CD1-CE1 4.26Å; I568-F681 HydrophobicContact CD1-CZ 4.26Å; I568-F681 HydrophobicContact CG2-CE1 4.07Å; I568-F683 HydrophobicContact CG2-CE1 3.96Å; I568-F683 HydrophobicContact CG2-CZ 3.93Å
569	E	78.4	Confident	77.4	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-42	178.8	-172.3	65.7	-139.2	0	0	112.2	R565 W566 T567 Y571 H572 T682 F683	R565-E569 WeakPolarHBondContact O-CB 3.48Å; R565-E569 PolarHBondContact O-N 3.26Å; W566-E569 PolarHBondContact O-N 2.88Å; T567-E569 VanDerWaalsContact C-N 3.34Å; T567-E569 PolarHBondContact O-N 3.49Å; E569-Y571 PolarHBondContact O-N 3.18Å; E569-H572 PolarHBondContact O-N 2.93Å; E569-H572 VanDerWaalsContact O-N 3.09Å; E569-T682 HydrophobicContact CG-CG2 4.27Å; E569-T682 WeakPolarHBondContact OE1-CB 3.34Å; E569-T682 PolarHBondContact OE1-OG1 2.99Å; E569-T682 PolarHBondContact OE2-N 3.49Å; E569-F683 WeakPolarHBondContact OE2-CD1 3.47Å; E569-F683 WeakPolarHBondContact OE2-CE1 3.39Å
570	K	79.8	Confident	77.4	Confident	84 Å²	84	48 Å²	48	37%	0.365	23%	0.231	S	C	.	.	H	α-helix	trans	-57	-33.1	176.1	-178.1	-172.9	174.3	-164.7	0	112.9	D296 W566 T567 I568	D296-K570 IonicContact OD1-NZ 2.59Å; D296-K570 IonicContact OD2-NZ 3.94Å; D296-K570 PolarHBondContact OD2-NZ 3.49Å; W566-K570 PolarHBondContact O-N 3.23Å; T567-K570 WeakPolarHBondContact O-CB 3.24Å; T567-K570 PolarHBondContact O-N 3.02Å; I568-K570 VanDerWaalsContact C-N 3.32Å; I568-K570 PolarHBondContact O-N 2.88Å
571	Y	78	Confident	77.2	Confident	48 Å²	48	48.6 Å²	48.6	19%	0.188	24%	0.235	C	C	.	.	H	α-helix	trans	-88.6	-16.3	179.5	-78.7	-103	0	0	0	113.5	L287 T291 N293 D296 F299 T567 I568 E569 K573	L287-Y571 HydrophobicContact CD1-CD1 3.87Å; L287-Y571 HydrophobicContact CD1-CG 4.02Å; L287-Y571 HydrophobicContact CD2-CG 4.49Å; T291-Y571 HydrophobicContact CG2-CD1 4.26Å; T291-Y571 HydrophobicContact CG2-CE1 4.11Å; N293-Y571 HydrophobicContact CB-CE1 4.44Å; N293-Y571 PolarHBondContact ND2-OH 2.83Å; D296-Y571 WeakPolarHBondContact CB-OH 3.21Å; D296-Y571 VanDerWaalsContact CG-OH 3.22Å; D296-Y571 WeakPolarHBondContact OD2-CE2 3.47Å; D296-Y571 PolarHBondContact OD2-OH 2.93Å; F299-Y571 HydrophobicContact CB-CE2 3.68Å; F299-Y571 HydrophobicContact CD1-CE1 4.4Å; F299-Y571 HydrophobicContact CD2-CD1 4.28Å; F299-Y571 AromaticContact CD2-CD2 3.75Å; F299-Y571 HydrophobicContact CD2-CD2 3.75Å; F299-Y571 HydrophobicContact CD2-CE1 4.09Å; F299-Y571 AromaticContact CD2-CE2 3.55Å; F299-Y571 HydrophobicContact CD2-CE2 3.55Å; F299-Y571 HydrophobicContact CD2-CG 4.12Å; F299-Y571 AromaticContact CD2-CZ 3.73Å; F299-Y571 HydrophobicContact CE2-CD1 4.29Å; F299-Y571 HydrophobicContact CE2-CD2 4.34Å; F299-Y571 HydrophobicContact CE2-CE1 4.38Å; F299-Y571 HydrophobicContact CE2-CE2 4.45Å; F299-Y571 HydrophobicContact CE2-CG 4.27Å; F299-Y571 HydrophobicContact CG-CD2 4.38Å; F299-Y571 HydrophobicContact CG-CE1 4.11Å; F299-Y571 AromaticContact CG-CE2 3.72Å; F299-Y571 HydrophobicContact CG-CE2 3.72Å; F299-Y571 AromaticContact CG-CZ 3.56Å; T567-Y571 VanDerWaalsContact O-CD2 3.29Å; T567-Y571 WeakPolarHBondContact O-CD2 3.46Å; I568-Y571 PolarHBondContact O-N 3.34Å; I568-Y571 VanDerWaalsContact O-N 3.09Å; E569-Y571 PolarHBondContact O-N 3.18Å; Y571-K573 VanDerWaalsContact C-N 3.28Å; Y571-K573 PolarHBondContact O-N 2.77Å
572	H	71	Confident	77.4	Confident	21 Å²	21	49.4 Å²	49.4	10%	0.097	24%	0.238	C	C	.	.			trans	-76.8	81.5	176.9	-172.4	-96.6	0	0	0	110.5	F283 I568 E569 Y574 S575 F683	F283-H572 AromaticContact CD1-CD2 3.63Å; F283-H572 HydrophobicContact CE1-CB 3.85Å; F283-H572 AromaticContact CE1-CD2 3.4Å; F283-H572 WeakPolarHBondContact CE1-CD2 3.24Å; F283-H572 AromaticContact CE1-CG 3.99Å; F283-H572 AromaticContact CE2-CD2 3.85Å; F283-H572 AromaticContact CG-CD2 3.99Å; F283-H572 HydrophobicContact CZ-CB 3.76Å; F283-H572 AromaticContact CZ-CD2 3.51Å; I568-H572 PolarHBondContact O-N 3.35Å; I568-H572 VanDerWaalsContact O-N 3.15Å; E569-H572 PolarHBondContact O-N 2.93Å; E569-H572 VanDerWaalsContact O-N 3.09Å; H572-Y574 WeakPolarHBondContact CE1-CB 3.49Å; H572-Y574 AromaticContact NE2-CD2 3.72Å; H572-Y574 PolarHBondContact O-N 3.34Å; H572-S575 PolarHBondContact O-N 3.46Å; H572-F683 HydrophobicContact CB-CD1 3.84Å; H572-F683 HydrophobicContact CB-CE1 4.23Å; H572-F683 WeakPolarHBondContact CE1-CB 3.36Å; H572-F683 AromaticContact CE1-CG 3.79Å; H572-F683 AromaticContact CG-CD1 3.63Å; H572-F683 AromaticContact CG-CG 3.97Å; H572-F683 WeakPolarHBondContact ND1-CB 3.49Å; H572-F683 AromaticContact ND1-CD1 3.78Å; H572-F683 AromaticContact ND1-CG 3.87Å; H572-F683 AromaticContact NE2-CG 3.96Å
573	K	56.7	Low	77.8	Confident	179 Å²	179	48.9 Å²	48.9	78%	0.778	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-53.9	-20.2	-179.6	-168.9	174.8	-179.8	179.4	0	114.2	Y571 S575 S576	Y571-K573 VanDerWaalsContact C-N 3.28Å; Y571-K573 PolarHBondContact O-N 2.77Å; K573-S575 PolarHBondContact O-N 3.2Å; K573-S575 VanDerWaalsContact O-N 3.09Å; K573-S576 PolarHBondContact O-OG 3.1Å
574	Y	52.3	Low	78.1	Confident	157 Å²	157	50.6 Å²	50.6	62%	0.616	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-69.8	3.8	-178.2	-72.4	-76.7	0	0	0	115.2	H572 S576	H572-Y574 WeakPolarHBondContact CE1-CB 3.49Å; H572-Y574 AromaticContact NE2-CD2 3.72Å; H572-Y574 PolarHBondContact O-N 3.34Å; Y574-S576 PolarHBondContact O-N 3.23Å; Y574-S576 VanDerWaalsContact O-N 3.15Å
575	S	54.6	Low	78.3	Confident	14 Å²	14	50.6 Å²	50.6	10%	0.098	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-66.5	-7.7	169	66.8	0	0	0	0	113.9	H572 K573 I577 S628	H572-S575 PolarHBondContact O-N 3.46Å; K573-S575 PolarHBondContact O-N 3.2Å; K573-S575 VanDerWaalsContact O-N 3.09Å; S575-I577 PolarHBondContact O-N 2.81Å; S575-S628 VanDerWaalsContact CB-CB 3.49Å; S575-S628 WeakPolarHBondContact CB-OG 3.26Å; S575-S628 PolarHBondContact OG-OG 3.1Å
576	S	59.8	Low	79	Confident	90 Å²	90	52.4 Å²	52.4	63%	0.629	26%	0.257	S	S	*	.			trans	-75.2	69	170.1	59.2	0	0	0	0	111.3	K573 Y574 N578	K573-S576 PolarHBondContact O-OG 3.1Å; Y574-S576 PolarHBondContact O-N 3.23Å; Y574-S576 VanDerWaalsContact O-N 3.15Å; S576-N578 PolarHBondContact O-N 2.88Å
577	I	68.7	Low	79.7	Confident	18 Å²	18	57.2 Å²	57.2	9%	0.092	28%	0.28	C	S	.	.			trans	-58.6	133.7	165.1	-57.6	145.1	0	0	0	107.9	S575 E579 T581 K582 I625 T627 A700 L703	S575-I577 PolarHBondContact O-N 2.81Å; I577-E579 PolarHBondContact O-N 3.27Å; I577-T581 HydrophobicContact CG2-CG2 4.29Å; I577-K582 HydrophobicContact CB-CG 4.16Å; I577-K582 HydrophobicContact CG2-CG 3.57Å; I577-I625 HydrophobicContact CD1-CG2 3.73Å; I577-T627 HydrophobicContact CD1-CG2 3.56Å; I577-A700 HydrophobicContact CD1-CB 3.53Å; I577-A700 HydrophobicContact CG1-CB 3.99Å; I577-L703 HydrophobicContact CD1-CD1 3.77Å; I577-L703 HydrophobicContact CG1-CB 4.38Å; I577-L703 HydrophobicContact CG1-CD1 4.18Å; I577-L703 HydrophobicContact CG2-CB 4.35Å; I577-L703 HydrophobicContact CG2-CD1 3.82Å
578	N	79.9	Confident	80.2	Confident	80 Å²	80	57.3 Å²	57.3	43%	0.428	28%	0.281	S	S	.	.			trans	-60.9	136.1	175.4	-166.5	-7.6	0	0	0	110	S576 S580 T581 K582	S576-N578 PolarHBondContact O-N 2.88Å; N578-S580 PolarHBondContact ND2-OG 3.45Å; N578-S580 VanDerWaalsContact ND2-OG 3.08Å; N578-S580 PolarHBondContact O-N 3.3Å; N578-S580 PolarHBondContact OD1-N 3.44Å; N578-S580 PolarHBondContact OD1-OG 3.43Å; N578-T581 WeakPolarHBondContact O-CB 3.34Å; N578-T581 PolarHBondContact O-N 3.1Å; N578-K582 PolarHBondContact O-N 3.13Å; N578-K582 VanDerWaalsContact O-N 3.11Å
579	E	83.8	Confident	80.8	Confident	113 Å²	113	57.4 Å²	57.4	53%	0.528	28%	0.281	S	S	.	.	H	α-helix	trans	-63.7	-28.2	-177.6	-156.2	61	-156.4	0	0	111.5	I577 K582 T583	I577-E579 PolarHBondContact O-N 3.27Å; E579-K582 PolarHBondContact O-N 2.67Å; E579-K582 IonicContact OE2-NZ 2.85Å; E579-K582 PolarHBondContact OE2-NZ 2.5Å; E579-T583 WeakPolarHBondContact O-CB 3.31Å; E579-T583 PolarHBondContact O-N 3.2Å; E579-T583 PolarHBondContact O-OG1 2.9Å
580	S	87.9	Confident	81.7	Confident	55 Å²	55	61.6 Å²	61.6	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-61.6	-45.7	171.2	62.5	0	0	0	0	112.1	N578 T583 Q584	N578-S580 PolarHBondContact ND2-OG 3.45Å; N578-S580 VanDerWaalsContact ND2-OG 3.08Å; N578-S580 PolarHBondContact O-N 3.3Å; N578-S580 PolarHBondContact OD1-N 3.44Å; N578-S580 PolarHBondContact OD1-OG 3.43Å; S580-T583 PolarHBondContact O-N 2.6Å; S580-Q584 WeakPolarHBondContact O-CB 3.42Å; S580-Q584 PolarHBondContact O-N 2.84Å
581	T	87.9	Confident	82.5	Confident	12 Å²	12	62.4 Å²	62.4	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-45	177.9	-52.8	0	0	0	0	111	I577 N578 T583 Q584 V585 L708	I577-T581 HydrophobicContact CG2-CG2 4.29Å; N578-T581 WeakPolarHBondContact O-CB 3.34Å; N578-T581 PolarHBondContact O-N 3.1Å; T581-T583 PolarHBondContact O-N 2.94Å; T581-Q584 PolarHBondContact O-N 2.79Å; T581-V585 WeakPolarHBondContact O-CG2 3.11Å; T581-V585 PolarHBondContact O-N 3.01Å; T581-L708 HydrophobicContact CG2-CD2 3.47Å; T581-L708 VanDerWaalsContact CG2-CD2 3.47Å; T581-L708 HydrophobicContact CG2-CG 4.23Å
582	K	88.9	Confident	83.4	Confident	40 Å²	40	60.1 Å²	60.1	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-48.5	175.6	-63	-172.8	-162.1	152.2	0	111.7	I577 N578 E579 Q584 V585 F586 I625	I577-K582 HydrophobicContact CB-CG 4.16Å; I577-K582 HydrophobicContact CG2-CG 3.57Å; N578-K582 PolarHBondContact O-N 3.13Å; N578-K582 VanDerWaalsContact O-N 3.11Å; E579-K582 PolarHBondContact O-N 2.67Å; E579-K582 IonicContact OE2-NZ 2.85Å; E579-K582 PolarHBondContact OE2-NZ 2.5Å; K582-Q584 VanDerWaalsContact C-N 3.28Å; K582-Q584 PolarHBondContact O-N 3.17Å; K582-V585 PolarHBondContact O-N 3.06Å; K582-V585 VanDerWaalsContact O-N 3.15Å; K582-F586 HydrophobicContact CB-CD2 4.42Å; K582-F586 HydrophobicContact CB-CE2 4.15Å; K582-F586 WeakPolarHBondContact O-CD2 3.29Å; K582-F586 PolarHBondContact O-N 3.46Å; K582-I625 HydrophobicContact CB-CD1 3.87Å; K582-I625 HydrophobicContact CD-CD1 4.31Å; K582-I625 HydrophobicContact CG-CD1 3.84Å
583	T	93.3	Very high	84.7	Confident	64 Å²	64	59.5 Å²	59.5	39%	0.393	29%	0.294	S	S	.	.	H	α-helix	trans	-57.5	-44.2	179.4	-57.9	0	0	0	0	111	E579 S580 T581 V585 F586 Q587	E579-T583 WeakPolarHBondContact O-CB 3.31Å; E579-T583 PolarHBondContact O-N 3.2Å; E579-T583 PolarHBondContact O-OG1 2.9Å; S580-T583 PolarHBondContact O-N 2.6Å; T581-T583 PolarHBondContact O-N 2.94Å; T583-V585 PolarHBondContact O-N 3.1Å; T583-F586 PolarHBondContact O-N 3.42Å; T583-Q587 VanDerWaalsContact O-CG 3.29Å; T583-Q587 WeakPolarHBondContact O-CG 3.1Å; T583-Q587 PolarHBondContact O-N 2.87Å
584	Q	93.4	Very high	86.5	Confident	38 Å²	38	55.5 Å²	55.5	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-41.5	177.5	179.7	166.2	71.5	0	0	112.4	S580 T581 K582 Q587 M588 M714	S580-Q584 WeakPolarHBondContact O-CB 3.42Å; S580-Q584 PolarHBondContact O-N 2.84Å; T581-Q584 PolarHBondContact O-N 2.79Å; K582-Q584 VanDerWaalsContact C-N 3.28Å; K582-Q584 PolarHBondContact O-N 3.17Å; Q584-Q587 WeakPolarHBondContact O-CB 3.32Å; Q584-Q587 PolarHBondContact O-N 2.81Å; Q584-M588 HydrophobicContact CG-SD 4.44Å; Q584-M588 WeakPolarHBondContact O-CG 3.38Å; Q584-M588 PolarHBondContact O-N 2.88Å; Q584-M714 HydrophobicContact CG-CE 4.42Å
585	V	95.2	Very high	88.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-41	177.7	173	0	0	0	0	111.4	T581 K582 T583 Q587 M588 F589 L623 I698 L703 L708 I725	T581-V585 WeakPolarHBondContact O-CG2 3.11Å; T581-V585 PolarHBondContact O-N 3.01Å; K582-V585 PolarHBondContact O-N 3.06Å; K582-V585 VanDerWaalsContact O-N 3.15Å; T583-V585 PolarHBondContact O-N 3.1Å; V585-Q587 VanDerWaalsContact C-N 3.31Å; V585-Q587 PolarHBondContact O-N 2.98Å; V585-M588 PolarHBondContact O-N 3.26Å; V585-F589 PolarHBondContact O-N 3.06Å; V585-L623 HydrophobicContact CG1-CD2 3.85Å; V585-I698 HydrophobicContact CG1-CD1 3.73Å; V585-L703 HydrophobicContact CG1-CD2 4.36Å; V585-L703 HydrophobicContact CG2-CD2 3.82Å; V585-L708 HydrophobicContact CG2-CD2 3.61Å; V585-I725 HydrophobicContact CG1-CD1 3.92Å
586	F	97	Very high	90.3	Very high	77 Å²	77	48.5 Å²	48.5	34%	0.338	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-39	172.7	-69.9	-53.3	0	0	0	112.3	K582 T583 F589 E590 L623 I625	K582-F586 HydrophobicContact CB-CD2 4.42Å; K582-F586 HydrophobicContact CB-CE2 4.15Å; K582-F586 WeakPolarHBondContact O-CD2 3.29Å; K582-F586 PolarHBondContact O-N 3.46Å; T583-F586 PolarHBondContact O-N 3.42Å; F586-F589 WeakPolarHBondContact O-CB 3.46Å; F586-F589 PolarHBondContact O-N 2.86Å; F586-E590 PolarHBondContact O-N 2.83Å; F586-E590 VanDerWaalsContact O-N 3.13Å; F586-L623 HydrophobicContact CD1-CB 4.07Å; F586-L623 HydrophobicContact CD1-CD2 3.91Å; F586-L623 HydrophobicContact CD1-CG 4.17Å; F586-L623 HydrophobicContact CE1-CB 4.07Å; F586-L623 HydrophobicContact CE1-CD2 4.14Å; F586-L623 HydrophobicContact CE1-CG 4.01Å; F586-L623 WeakPolarHBondContact CE1-O 3.17Å; F586-I625 HydrophobicContact CE1-CD1 4.11Å; F586-I625 HydrophobicContact CE1-CG1 4.11Å; F586-I625 HydrophobicContact CE2-CD1 3.82Å; F586-I625 HydrophobicContact CZ-CD1 3.58Å; F586-I625 HydrophobicContact CZ-CG1 3.81Å
587	Q	96.2	Very high	91.9	Very high	111 Å²	111	45 Å²	45	52%	0.519	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-44.4	174.8	-73.2	170.4	-13.6	0	0	112.1	T583 Q584 V585 F589 E590 Q591	T583-Q587 VanDerWaalsContact O-CG 3.29Å; T583-Q587 WeakPolarHBondContact O-CG 3.1Å; T583-Q587 PolarHBondContact O-N 2.87Å; Q584-Q587 WeakPolarHBondContact O-CB 3.32Å; Q584-Q587 PolarHBondContact O-N 2.81Å; V585-Q587 VanDerWaalsContact C-N 3.31Å; V585-Q587 PolarHBondContact O-N 2.98Å; Q587-F589 VanDerWaalsContact C-N 3.28Å; Q587-F589 PolarHBondContact O-N 2.85Å; Q587-E590 PolarHBondContact O-N 2.84Å; Q587-Q591 WeakPolarHBondContact O-CG 3.4Å; Q587-Q591 PolarHBondContact O-N 3.25Å
588	M	96.7	Very high	92.9	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-40.5	175.2	-69.8	173.7	67.6	0	0	111.5	Q584 V585 Q591 L592 K717 Y718 I721	Q584-M588 HydrophobicContact CG-SD 4.44Å; Q584-M588 WeakPolarHBondContact O-CG 3.38Å; Q584-M588 PolarHBondContact O-N 2.88Å; V585-M588 PolarHBondContact O-N 3.26Å; M588-Q591 PolarHBondContact O-N 3.34Å; M588-L592 VanDerWaalsContact O-CG 3.29Å; M588-L592 WeakPolarHBondContact O-CG 3.48Å; M588-L592 PolarHBondContact O-N 3.49Å; M588-K717 HydrophobicContact CE-CB 3.92Å; M588-K717 HydrophobicContact SD-CB 4.1Å; M588-Y718 HydrophobicContact CB-CE1 4.34Å; M588-Y718 HydrophobicContact CE-CD1 3.83Å; M588-Y718 HydrophobicContact CE-CD2 4.12Å; M588-Y718 HydrophobicContact CE-CE1 3.89Å; M588-Y718 HydrophobicContact CE-CE2 4.2Å; M588-Y718 HydrophobicContact CE-CG 3.93Å; M588-Y718 HydrophobicContact CG-CE1 4.38Å; M588-Y718 HydrophobicContact CG-CE2 4.25Å; M588-I721 HydrophobicContact CE-CG2 4Å; M588-I721 HydrophobicContact SD-CG2 4.38Å
589	F	97.8	Very high	93.3	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-47.3	176.5	176.6	-108.3	0	0	0	112.8	V585 F586 Q587 Q591 L592 K593 F621 L623 I696 I725 L729	V585-F589 PolarHBondContact O-N 3.06Å; F586-F589 WeakPolarHBondContact O-CB 3.46Å; F586-F589 PolarHBondContact O-N 2.86Å; Q587-F589 VanDerWaalsContact C-N 3.28Å; Q587-F589 PolarHBondContact O-N 2.85Å; F589-Q591 VanDerWaalsContact C-N 3.32Å; F589-Q591 PolarHBondContact O-N 3.15Å; F589-L592 PolarHBondContact O-N 2.8Å; F589-K593 HydrophobicContact CD1-CD 3.91Å; F589-K593 HydrophobicContact CE1-CD 3.39Å; F589-K593 HydrophobicContact CE1-CG 4.42Å; F589-K593 HydrophobicContact CE2-CD 4.18Å; F589-K593 HydrophobicContact CE2-CG 4.44Å; F589-K593 HydrophobicContact CZ-CD 3.56Å; F589-K593 HydrophobicContact CZ-CG 4.27Å; F589-K593 WeakPolarHBondContact O-CG 3.5Å; F589-K593 PolarHBondContact O-N 2.7Å; F589-F621 WeakPolarHBondContact CE1-O 3.36Å; F589-F621 HydrophobicContact CZ-CB 4.02Å; F589-L623 HydrophobicContact CB-CB 4.37Å; F589-L623 HydrophobicContact CB-CD2 3.82Å; F589-L623 HydrophobicContact CD1-CB 3.61Å; F589-L623 HydrophobicContact CD2-CB 4.02Å; F589-L623 HydrophobicContact CD2-CD2 4.32Å; F589-L623 HydrophobicContact CE1-CB 3.76Å; F589-L623 HydrophobicContact CE2-CB 4.15Å; F589-L623 HydrophobicContact CG-CB 3.73Å; F589-L623 HydrophobicContact CG-CD2 4.02Å; F589-L623 HydrophobicContact CG-CG 4.43Å; F589-L623 HydrophobicContact CZ-CB 4.01Å; F589-I696 HydrophobicContact CE2-CD1 4.09Å; F589-I725 HydrophobicContact CD2-CG2 3.57Å; F589-I725 HydrophobicContact CE2-CG2 4.31Å; F589-L729 HydrophobicContact CD2-CD1 4.27Å; F589-L729 HydrophobicContact CE2-CD1 4.07Å; F589-L729 HydrophobicContact CE2-CD2 3.9Å; F589-L729 HydrophobicContact CE2-CG 4.14Å; F589-L729 HydrophobicContact CZ-CD2 4.39Å
590	E	97.6	Very high	93.5	Very high	89 Å²	89	42.4 Å²	42.4	42%	0.416	21%	0.213	S	C	.	.	H	α-helix	trans	-67.1	-33.4	177.2	-65.2	-56.4	146.2	0	0	112.4	F586 Q587 K593 T594	F586-E590 PolarHBondContact O-N 2.83Å; F586-E590 VanDerWaalsContact O-N 3.13Å; Q587-E590 PolarHBondContact O-N 2.84Å; E590-K593 PolarHBondContact O-N 3.41Å; E590-K593 IonicContact OE1-NZ 2.71Å; E590-K593 PolarHBondContact OE1-NZ 3.09Å; E590-K593 IonicContact OE2-NZ 3.99Å; E590-K593 PolarHBondContact OE2-NZ 3.13Å; E590-T594 PolarHBondContact O-N 2.96Å; E590-T594 PolarHBondContact O-OG1 3.39Å
591	Q	96.6	Very high	93.4	Very high	100 Å²	100	42.4 Å²	42.4	47%	0.467	21%	0.213	S	C	.	.	H	α-helix	trans	-65.3	-44.9	173.4	-72.8	177.5	-13.7	0	0	111.4	Q587 M588 F589 K593 T594 T595 Y718 T794	Q587-Q591 WeakPolarHBondContact O-CG 3.4Å; Q587-Q591 PolarHBondContact O-N 3.25Å; M588-Q591 PolarHBondContact O-N 3.34Å; F589-Q591 VanDerWaalsContact C-N 3.32Å; F589-Q591 PolarHBondContact O-N 3.15Å; Q591-K593 PolarHBondContact O-N 3.38Å; Q591-T594 WeakPolarHBondContact O-CB 3.44Å; Q591-T594 PolarHBondContact O-N 3.13Å; Q591-T595 PolarHBondContact O-N 3.4Å; Q591-T595 PolarHBondContact O-OG1 2.76Å; Q591-Y718 PolarHBondContact OE1-OH 3.49Å; Q591-T794 HydrophobicContact CB-CG2 3.74Å
592	L	97	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-45.4	174.4	-72.1	163.2	0	0	0	111.5	M588 F589 T594 T595 L596 Y718 I725 L729 L790 T794	M588-L592 VanDerWaalsContact O-CG 3.29Å; M588-L592 WeakPolarHBondContact O-CG 3.48Å; M588-L592 PolarHBondContact O-N 3.49Å; F589-L592 PolarHBondContact O-N 2.8Å; L592-T594 VanDerWaalsContact C-N 3.3Å; L592-T594 PolarHBondContact O-N 2.81Å; L592-T595 PolarHBondContact O-N 2.74Å; L592-L596 WeakPolarHBondContact O-CB 3.3Å; L592-L596 PolarHBondContact O-N 3.02Å; L592-Y718 HydrophobicContact CD2-CE1 4.27Å; L592-Y718 HydrophobicContact CG-CE1 4.25Å; L592-I725 HydrophobicContact CD1-CB 3.81Å; L592-I725 HydrophobicContact CD1-CG2 3.51Å; L592-L729 HydrophobicContact CB-CD1 3.99Å; L592-L790 HydrophobicContact CD2-CG 4.02Å; L592-T794 HydrophobicContact CD2-CG2 4.36Å; L592-T794 HydrophobicContact CG-CG2 4.48Å
593	K	96.9	Very high	92.6	Very high	9 Å²	9	43.5 Å²	43.5	4%	0.039	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-39.9	175.8	-76	172.2	58	-172.3	0	112.8	F589 E590 Q591 L596 S597 A618 N619 F621 L729	F589-K593 HydrophobicContact CD1-CD 3.91Å; F589-K593 HydrophobicContact CE1-CD 3.39Å; F589-K593 HydrophobicContact CE1-CG 4.42Å; F589-K593 HydrophobicContact CE2-CD 4.18Å; F589-K593 HydrophobicContact CE2-CG 4.44Å; F589-K593 HydrophobicContact CZ-CD 3.56Å; F589-K593 HydrophobicContact CZ-CG 4.27Å; F589-K593 WeakPolarHBondContact O-CG 3.5Å; F589-K593 PolarHBondContact O-N 2.7Å; E590-K593 PolarHBondContact O-N 3.41Å; E590-K593 IonicContact OE1-NZ 2.71Å; E590-K593 PolarHBondContact OE1-NZ 3.09Å; E590-K593 IonicContact OE2-NZ 3.99Å; E590-K593 PolarHBondContact OE2-NZ 3.13Å; Q591-K593 PolarHBondContact O-N 3.38Å; K593-L596 PolarHBondContact O-N 2.97Å; K593-S597 WeakPolarHBondContact O-CB 3.48Å; K593-S597 PolarHBondContact O-N 2.72Å; K593-S597 PolarHBondContact O-OG 3.5Å; K593-A618 WeakPolarHBondContact CE-O 3.5Å; K593-N619 VanDerWaalsContact CE-O 3.22Å; K593-N619 WeakPolarHBondContact CE-O 3.33Å; K593-N619 PolarHBondContact NZ-O 2.51Å; K593-F621 PolarHBondContact NZ-O 3.28Å; K593-L729 HydrophobicContact CG-CD1 4.2Å; K593-L729 HydrophobicContact CG-CD2 4.26Å
594	T	95.2	Very high	91.5	Very high	94 Å²	94	45.2 Å²	45.2	58%	0.577	24%	0.24	S	C	*	.	H	α-helix	trans	-64.9	-47.6	177.2	-57.6	0	0	0	0	110.8	E590 Q591 L592 L596 S597 Y598	E590-T594 PolarHBondContact O-N 2.96Å; E590-T594 PolarHBondContact O-OG1 3.39Å; Q591-T594 WeakPolarHBondContact O-CB 3.44Å; Q591-T594 PolarHBondContact O-N 3.13Å; L592-T594 VanDerWaalsContact C-N 3.3Å; L592-T594 PolarHBondContact O-N 2.81Å; T594-L596 VanDerWaalsContact C-N 3.32Å; T594-L596 PolarHBondContact O-N 3.2Å; T594-S597 PolarHBondContact O-N 3.34Å; T594-Y598 PolarHBondContact O-N 2.68Å
595	T	94.5	Very high	90.2	Very high	25 Å²	25	46.7 Å²	46.7	15%	0.153	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-39.2	176.3	-55.1	0	0	0	0	111.9	Q591 L592 Y598 S599 L790 K793 T794	Q591-T595 PolarHBondContact O-N 3.4Å; Q591-T595 PolarHBondContact O-OG1 2.76Å; L592-T595 PolarHBondContact O-N 2.74Å; T595-Y598 PolarHBondContact O-N 3.28Å; T595-S599 WeakPolarHBondContact O-CB 3.29Å; T595-S599 PolarHBondContact O-N 2.87Å; T595-S599 PolarHBondContact O-OG 2.99Å; T595-L790 HydrophobicContact CG2-CD1 3.84Å; T595-K793 HydrophobicContact CG2-CB 4.03Å; T595-K793 HydrophobicContact CG2-CD 4.17Å; T595-K793 HydrophobicContact CG2-CG 3.79Å; T595-T794 WeakPolarHBondContact CB-OG1 3.32Å; T595-T794 WeakPolarHBondContact CG2-OG1 3.39Å; T595-T794 PolarHBondContact OG1-OG1 2.81Å
596	L	92.9	Very high	89	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-46.9	176.5	179.1	54.1	0	0	0	110.8	L592 K593 T594 Y598 S599 L600 A618 L729 M730 V733 L790 W870	L592-L596 WeakPolarHBondContact O-CB 3.3Å; L592-L596 PolarHBondContact O-N 3.02Å; K593-L596 PolarHBondContact O-N 2.97Å; T594-L596 VanDerWaalsContact C-N 3.32Å; T594-L596 PolarHBondContact O-N 3.2Å; L596-Y598 PolarHBondContact O-N 3.47Å; L596-S599 PolarHBondContact O-N 3.07Å; L596-L600 HydrophobicContact CD1-CD1 4.04Å; L596-L600 HydrophobicContact CD1-CG 4.04Å; L596-L600 HydrophobicContact CG-CD1 3.93Å; L596-L600 HydrophobicContact CG-CG 4.41Å; L596-L600 WeakPolarHBondContact O-CB 3.28Å; L596-L600 VanDerWaalsContact O-CG 3.32Å; L596-L600 WeakPolarHBondContact O-CG 3.48Å; L596-L600 PolarHBondContact O-N 2.88Å; L596-A618 HydrophobicContact CD2-CB 3.85Å; L596-A618 HydrophobicContact CG-CB 4.19Å; L596-L729 HydrophobicContact CD2-CB 4.19Å; L596-M730 HydrophobicContact CD1-SD 3.52Å; L596-M730 VanDerWaalsContact CD1-SD 3.52Å; L596-M730 HydrophobicContact CD2-SD 4.42Å; L596-V733 HydrophobicContact CD2-CG2 4.28Å; L596-L790 HydrophobicContact CB-CD1 3.86Å; L596-L790 HydrophobicContact CB-CD2 4.09Å; L596-L790 HydrophobicContact CD1-CD2 4.42Å; L596-L790 HydrophobicContact CD2-CD2 4.32Å; L596-W870 HydrophobicContact CD1-CH2 4.08Å; L596-W870 HydrophobicContact CD1-CZ2 4.1Å
597	S	92.4	Very high	88.1	Confident	16 Å²	16	47.5 Å²	47.5	11%	0.112	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-44.8	177.2	-63.6	0	0	0	0	112.3	K593 T594 S599 L600 S601 N619	K593-S597 WeakPolarHBondContact O-CB 3.48Å; K593-S597 PolarHBondContact O-N 2.72Å; K593-S597 PolarHBondContact O-OG 3.5Å; T594-S597 PolarHBondContact O-N 3.34Å; S597-S599 VanDerWaalsContact C-N 3.35Å; S597-L600 PolarHBondContact O-N 3.36Å; S597-S601 PolarHBondContact O-N 2.9Å; S597-N619 PolarHBondContact OG-ND2 3.21Å; S597-N619 PolarHBondContact OG-OD1 2.62Å; S597-N619 VanDerWaalsContact OG-OD1 3.06Å
598	Y	90.9	Very high	87.4	Confident	150 Å²	150	48.7 Å²	48.7	59%	0.588	26%	0.257	S	S	*	.	H	α-helix	trans	-61.5	-45	175.1	178	-98.3	0	0	0	111.3	T594 T595 L596 L600 S601 S602	T594-Y598 PolarHBondContact O-N 2.68Å; T595-Y598 PolarHBondContact O-N 3.28Å; L596-Y598 PolarHBondContact O-N 3.47Å; Y598-L600 PolarHBondContact O-N 2.95Å; Y598-S601 PolarHBondContact O-N 3.31Å; Y598-S601 PolarHBondContact O-OG 3.1Å; Y598-S602 PolarHBondContact O-N 2.83Å
599	S	87.8	Confident	86.8	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-47	179	-56	0	0	0	0	110.9	T595 L596 S597 S601 S602 M603	T595-S599 WeakPolarHBondContact O-CB 3.29Å; T595-S599 PolarHBondContact O-N 2.87Å; T595-S599 PolarHBondContact O-OG 2.99Å; L596-S599 PolarHBondContact O-N 3.07Å; S597-S599 VanDerWaalsContact C-N 3.35Å; S599-S601 VanDerWaalsContact C-N 3.29Å; S599-S601 PolarHBondContact O-N 3.44Å; S599-S602 PolarHBondContact O-N 2.93Å; S599-S602 VanDerWaalsContact O-N 3.09Å; S599-S602 PolarHBondContact O-OG 2.72Å; S599-M603 WeakPolarHBondContact O-CG 3.05Å; S599-M603 PolarHBondContact O-N 3.03Å
600	L	86.8	Confident	85.9	Confident	4 Å²	4	57 Å²	57	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-57.6	-40.2	175.8	-72.2	167.4	0	0	0	112	L596 S597 Y598 S602 M603 L606 I615 A618	L596-L600 HydrophobicContact CD1-CD1 4.04Å; L596-L600 HydrophobicContact CD1-CG 4.04Å; L596-L600 HydrophobicContact CG-CD1 3.93Å; L596-L600 HydrophobicContact CG-CG 4.41Å; L596-L600 WeakPolarHBondContact O-CB 3.28Å; L596-L600 VanDerWaalsContact O-CG 3.32Å; L596-L600 WeakPolarHBondContact O-CG 3.48Å; L596-L600 PolarHBondContact O-N 2.88Å; S597-L600 PolarHBondContact O-N 3.36Å; Y598-L600 PolarHBondContact O-N 2.95Å; L600-S602 VanDerWaalsContact C-N 3.28Å; L600-S602 PolarHBondContact O-N 2.66Å; L600-M603 HydrophobicContact CB-CE 4.4Å; L600-M603 HydrophobicContact CD2-CE 3.71Å; L600-M603 HydrophobicContact CD2-SD 3.87Å; L600-M603 HydrophobicContact CG-CE 4.11Å; L600-M603 PolarHBondContact O-N 3.38Å; L600-L606 HydrophobicContact CD2-CD1 4Å; L600-I615 HydrophobicContact CB-CD1 4.19Å; L600-I615 HydrophobicContact CB-CG1 3.61Å; L600-I615 HydrophobicContact CD1-CG1 4.07Å; L600-A618 HydrophobicContact CD1-CB 4.15Å
601	S	87.1	Confident	85.2	Confident	56 Å²	56	54 Å²	54	39%	0.392	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-30.8	178.1	73.9	0	0	0	0	113.5	S597 Y598 S599 K611	S597-S601 PolarHBondContact O-N 2.9Å; Y598-S601 PolarHBondContact O-N 3.31Å; Y598-S601 PolarHBondContact O-OG 3.1Å; S599-S601 VanDerWaalsContact C-N 3.29Å; S599-S601 PolarHBondContact O-N 3.44Å; S601-K611 PolarHBondContact O-NZ 2.72Å
602	S	83.2	Confident	84.8	Confident	66 Å²	66	55.4 Å²	55.4	46%	0.462	29%	0.29	S	S	.	.	H	α-helix	trans	-83.5	-6.4	-179.3	64.7	0	0	0	0	114.5	Y598 S599 L600	Y598-S602 PolarHBondContact O-N 2.83Å; S599-S602 PolarHBondContact O-N 2.93Å; S599-S602 VanDerWaalsContact O-N 3.09Å; S599-S602 PolarHBondContact O-OG 2.72Å; L600-S602 VanDerWaalsContact C-N 3.28Å; L600-S602 PolarHBondContact O-N 2.66Å
603	M	75.8	Confident	84.2	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.039	32%	0.315	C	S	.	.			trans	-71.4	132.3	-177.7	-68.7	176.5	-159.5	0	0	111.1	S599 L600 W605 L606 K611 W870	S599-M603 WeakPolarHBondContact O-CG 3.05Å; S599-M603 PolarHBondContact O-N 3.03Å; L600-M603 HydrophobicContact CB-CE 4.4Å; L600-M603 HydrophobicContact CD2-CE 3.71Å; L600-M603 HydrophobicContact CD2-SD 3.87Å; L600-M603 HydrophobicContact CG-CE 4.11Å; L600-M603 PolarHBondContact O-N 3.38Å; M603-W605 HydrophobicContact SD-CZ2 3.79Å; M603-L606 HydrophobicContact CB-CD1 4.26Å; M603-L606 HydrophobicContact SD-CD1 3.84Å; M603-K611 WeakPolarHBondContact O-CE 3.43Å; M603-K611 PolarHBondContact O-NZ 3.26Å; M603-W870 HydrophobicContact CE-CD2 3.68Å; M603-W870 HydrophobicContact CE-CG 3.67Å; M603-W870 HydrophobicContact CE-CZ2 3.73Å
604	S	69.9	Low	83.6	Confident	101 Å²	101	61 Å²	61	71%	0.706	32%	0.319	S	S	*	.	S	Bend	trans	-80.3	-20.2	179.7	51.9	0	0	0	0	113.8
605	W	67.3	Low	83.4	Confident	68 Å²	68	58.1 Å²	58.1	26%	0.258	30%	0.299	S	S	.	.	S	Bend	trans	-91.6	-29.5	-170.3	61.9	-100.1	0	0	0	114.2	M603 D756	M603-W605 HydrophobicContact SD-CZ2 3.79Å; W605-D756 WeakPolarHBondContact CB-OD2 3.16Å; W605-D756 HydrophobicContact CD2-CB 3.56Å; W605-D756 HydrophobicContact CE3-CB 3.83Å; W605-D756 HydrophobicContact CG-CB 3.94Å; W605-D756 VanDerWaalsContact CG-CG 3.41Å; W605-D756 HydrophobicContact CH2-CB 4.25Å; W605-D756 HydrophobicContact CZ2-CB 4.01Å; W605-D756 HydrophobicContact CZ3-CB 4.16Å; W605-D756 PolarHBondContact NE1-OD2 3.18Å
606	L	69.5	Low	83.3	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.037	32%	0.316	C	S	.	.	S	Bend	trans	-71.7	130.6	172	-72.2	165.9	0	0	0	108.4	L600 M603 E610 K611	L600-L606 HydrophobicContact CD2-CD1 4Å; M603-L606 HydrophobicContact CB-CD1 4.26Å; M603-L606 HydrophobicContact SD-CD1 3.84Å; L606-E610 HydrophobicContact CB-CB 4.33Å; L606-E610 HydrophobicContact CD2-CB 3.63Å; L606-K611 HydrophobicContact CB-CB 4.42Å; L606-K611 HydrophobicContact CB-CD 4.45Å; L606-K611 HydrophobicContact CB-CG 3.4Å; L606-K611 HydrophobicContact CD1-CG 4.09Å; L606-K611 HydrophobicContact CG-CG 4.37Å; L606-K611 WeakPolarHBondContact O-CE 3.3Å
607	D	77.6	Confident	83.1	Confident	88 Å²	88	62.8 Å²	62.8	47%	0.471	32%	0.323	S	S	.	.			trans	-65.8	164	164.9	75.1	41.3	0	0	0	110.5	D609 E610 K611	D607-D609 PolarHBondContact O-N 3.45Å; D607-D609 WeakPolarHBondContact OD1-CA 3.37Å; D607-D609 WeakPolarHBondContact OD1-CB 3.36Å; D607-D609 PolarHBondContact OD1-N 3.04Å; D607-E610 PolarHBondContact O-N 2.93Å; D607-E610 WeakPolarHBondContact OD1-CG 3.18Å; D607-E610 PolarHBondContact OD1-N 3.25Å; D607-K611 WeakPolarHBondContact O-CG 3.4Å; D607-K611 PolarHBondContact O-N 3.16Å
608	E	81.6	Confident	83	Confident	135 Å²	135	62 Å²	62	63%	0.631	32%	0.318	S	S	*	.	H	α-helix	trans	-62.9	-26	-175.5	-69.7	-62.1	133	0	0	113.3	K611 K612	E608-K611 IonicContact OE1-NZ 3.4Å; E608-K611 PolarHBondContact OE1-NZ 2.65Å; E608-K612 WeakPolarHBondContact O-CB 3.44Å; E608-K612 PolarHBondContact O-N 2.71Å
609	D	83.6	Confident	83.2	Confident	127 Å²	127	58.1 Å²	58.1	68%	0.679	31%	0.307	S	S	*	.	H	α-helix	trans	-77.3	-43	176.4	-73.4	-33.4	0	0	0	110.9	D607 K612 E613	D607-D609 PolarHBondContact O-N 3.45Å; D607-D609 WeakPolarHBondContact OD1-CA 3.37Å; D607-D609 WeakPolarHBondContact OD1-CB 3.36Å; D607-D609 PolarHBondContact OD1-N 3.04Å; D609-K612 WeakPolarHBondContact O-CB 3.44Å; D609-K612 PolarHBondContact O-N 3.1Å; D609-E613 PolarHBondContact O-N 3.09Å
610	E	79.1	Confident	83.6	Confident	53 Å²	53	59.4 Å²	59.4	25%	0.248	32%	0.316	C	S	.	.	H	α-helix	trans	-67	-37.4	175.7	-66.8	-166.9	122.5	0	0	112.7	L606 D607 K612 E613 S614 K737	L606-E610 HydrophobicContact CB-CB 4.33Å; L606-E610 HydrophobicContact CD2-CB 3.63Å; D607-E610 PolarHBondContact O-N 2.93Å; D607-E610 WeakPolarHBondContact OD1-CG 3.18Å; D607-E610 PolarHBondContact OD1-N 3.25Å; E610-K612 VanDerWaalsContact C-N 3.32Å; E610-E613 PolarHBondContact O-N 2.96Å; E610-S614 WeakPolarHBondContact O-CB 3.46Å; E610-S614 PolarHBondContact O-N 3.15Å; E610-S614 PolarHBondContact O-OG 2.75Å; E610-K737 IonicContact OE1-NZ 3.03Å; E610-K737 PolarHBondContact OE1-NZ 3.44Å
611	K	84.4	Confident	83.9	Confident	24 Å²	24	59.2 Å²	59.2	10%	0.104	32%	0.315	C	S	.	.	H	α-helix	trans	-56.7	-51.1	169.8	-75.1	-179.2	-172.2	174.1	0	110	S601 M603 L606 D607 E608 E613 S614 I615	S601-K611 PolarHBondContact O-NZ 2.72Å; M603-K611 WeakPolarHBondContact O-CE 3.43Å; M603-K611 PolarHBondContact O-NZ 3.26Å; L606-K611 HydrophobicContact CB-CB 4.42Å; L606-K611 HydrophobicContact CB-CD 4.45Å; L606-K611 HydrophobicContact CB-CG 3.4Å; L606-K611 HydrophobicContact CD1-CG 4.09Å; L606-K611 HydrophobicContact CG-CG 4.37Å; L606-K611 WeakPolarHBondContact O-CE 3.3Å; D607-K611 WeakPolarHBondContact O-CG 3.4Å; D607-K611 PolarHBondContact O-N 3.16Å; E608-K611 IonicContact OE1-NZ 3.4Å; E608-K611 PolarHBondContact OE1-NZ 2.65Å; K611-E613 VanDerWaalsContact C-N 3.33Å; K611-E613 PolarHBondContact O-N 3.45Å; K611-S614 PolarHBondContact O-N 2.77Å; K611-I615 HydrophobicContact CB-CD1 4.36Å; K611-I615 VanDerWaalsContact O-CB 3.23Å; K611-I615 WeakPolarHBondContact O-CB 3.45Å; K611-I615 WeakPolarHBondContact O-CD1 3.31Å; K611-I615 WeakPolarHBondContact O-CG1 3.42Å; K611-I615 PolarHBondContact O-N 2.79Å
612	K	87	Confident	84.3	Confident	131 Å²	131	62.2 Å²	62.2	57%	0.57	32%	0.323	S	S	*	.	H	α-helix	trans	-62.9	-41.6	-177.4	-175.3	178.8	178.3	-175.2	0	111.2	E608 D609 E610 N616	E608-K612 WeakPolarHBondContact O-CB 3.44Å; E608-K612 PolarHBondContact O-N 2.71Å; D609-K612 WeakPolarHBondContact O-CB 3.44Å; D609-K612 PolarHBondContact O-N 3.1Å; E610-K612 VanDerWaalsContact C-N 3.32Å; K612-N616 VanDerWaalsContact O-CB 3.23Å; K612-N616 WeakPolarHBondContact O-CB 3.28Å; K612-N616 PolarHBondContact O-N 3.47Å; K612-N616 PolarHBondContact O-ND2 2.88Å
613	E	85.8	Confident	84.9	Confident	111 Å²	111	60 Å²	60	52%	0.519	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-52.2	174.8	-174.1	-178.8	-165.2	0	0	111.6	D609 E610 K611 I615 N616 L617 K737	D609-E613 PolarHBondContact O-N 3.09Å; E610-E613 PolarHBondContact O-N 2.96Å; K611-E613 VanDerWaalsContact C-N 3.33Å; K611-E613 PolarHBondContact O-N 3.45Å; E613-I615 PolarHBondContact O-N 3.32Å; E613-N616 PolarHBondContact O-N 2.66Å; E613-L617 WeakPolarHBondContact O-CB 3.37Å; E613-L617 PolarHBondContact O-N 3.03Å; E613-K737 IonicContact OE2-NZ 3.86Å
614	S	84.1	Confident	85.5	Confident	16 Å²	16	61.7 Å²	61.7	11%	0.112	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-41.3	-178.4	-56.3	0	0	0	0	112	E610 K611 L617 A618	E610-S614 WeakPolarHBondContact O-CB 3.46Å; E610-S614 PolarHBondContact O-N 3.15Å; E610-S614 PolarHBondContact O-OG 2.75Å; K611-S614 PolarHBondContact O-N 2.77Å; S614-L617 PolarHBondContact O-N 3.46Å; S614-A618 VanDerWaalsContact O-CB 3.28Å; S614-A618 WeakPolarHBondContact O-CB 3.05Å; S614-A618 PolarHBondContact O-N 3.15Å
615	I	90.6	Very high	86.3	Confident	33 Å²	33	57.4 Å²	57.4	17%	0.169	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-42.8	175.2	-69.7	166.5	0	0	0	110.7	L600 K611 E613 N619	L600-I615 HydrophobicContact CB-CD1 4.19Å; L600-I615 HydrophobicContact CB-CG1 3.61Å; L600-I615 HydrophobicContact CD1-CG1 4.07Å; K611-I615 HydrophobicContact CB-CD1 4.36Å; K611-I615 VanDerWaalsContact O-CB 3.23Å; K611-I615 WeakPolarHBondContact O-CB 3.45Å; K611-I615 WeakPolarHBondContact O-CD1 3.31Å; K611-I615 WeakPolarHBondContact O-CG1 3.42Å; K611-I615 PolarHBondContact O-N 2.79Å; E613-I615 PolarHBondContact O-N 3.32Å; I615-N619 VanDerWaalsContact CG2-ND2 3.31Å; I615-N619 WeakPolarHBondContact CG2-ND2 3.46Å; I615-N619 VanDerWaalsContact O-CB 3.32Å; I615-N619 WeakPolarHBondContact O-CB 3.22Å; I615-N619 PolarHBondContact O-N 3.09Å; I615-N619 PolarHBondContact O-ND2 2.99Å
616	N	91.5	Very high	86.9	Confident	95 Å²	95	54.3 Å²	54.3	51%	0.508	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-42.9	177	-75.1	-26.2	0	0	0	111.1	K612 E613 N619 S620	K612-N616 VanDerWaalsContact O-CB 3.23Å; K612-N616 WeakPolarHBondContact O-CB 3.28Å; K612-N616 PolarHBondContact O-N 3.47Å; K612-N616 PolarHBondContact O-ND2 2.88Å; E613-N616 PolarHBondContact O-N 2.66Å; N616-N619 PolarHBondContact O-N 2.62Å; N616-S620 VanDerWaalsContact O-CB 3.25Å; N616-S620 WeakPolarHBondContact O-CB 3.39Å; N616-S620 PolarHBondContact O-N 3.27Å
617	L	89.5	Confident	87.2	Confident	28 Å²	28	54.4 Å²	54.4	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-52.9	176.1	179.7	59.3	0	0	0	110.8	E613 S614 N619 S620 F621 N736	E613-L617 WeakPolarHBondContact O-CB 3.37Å; E613-L617 PolarHBondContact O-N 3.03Å; S614-L617 PolarHBondContact O-N 3.46Å; L617-N619 VanDerWaalsContact C-N 3.29Å; L617-N619 PolarHBondContact O-N 2.89Å; L617-S620 PolarHBondContact O-N 3.23Å; L617-S620 PolarHBondContact O-OG 3.35Å; L617-F621 HydrophobicContact CD1-CE2 3.95Å; L617-F621 HydrophobicContact CD1-CZ 4.25Å; L617-F621 HydrophobicContact CG-CE2 3.93Å; L617-F621 VanDerWaalsContact O-CD2 3.24Å; L617-F621 WeakPolarHBondContact O-CD2 3.29Å; L617-F621 PolarHBondContact O-N 3.37Å; L617-N736 HydrophobicContact CD2-CB 4.12Å
618	A	91.1	Very high	86.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-53.9	-44.4	177.3	0	0	0	0	0	112.3	K593 L596 L600 S614 S620 V733	K593-A618 WeakPolarHBondContact CE-O 3.5Å; L596-A618 HydrophobicContact CD2-CB 3.85Å; L596-A618 HydrophobicContact CG-CB 4.19Å; L600-A618 HydrophobicContact CD1-CB 4.15Å; S614-A618 VanDerWaalsContact O-CB 3.28Å; S614-A618 WeakPolarHBondContact O-CB 3.05Å; S614-A618 PolarHBondContact O-N 3.15Å; A618-S620 VanDerWaalsContact C-N 3.33Å; A618-S620 PolarHBondContact O-N 2.88Å; A618-V733 HydrophobicContact CB-CG2 4.01Å
619	N	95	Very high	86	Confident	68 Å²	68	53.2 Å²	53.2	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-73.3	-24.3	179.2	-75.8	-47	0	0	0	113.9	K593 S597 I615 N616 L617 F621	K593-N619 VanDerWaalsContact CE-O 3.22Å; K593-N619 WeakPolarHBondContact CE-O 3.33Å; K593-N619 PolarHBondContact NZ-O 2.51Å; S597-N619 PolarHBondContact OG-ND2 3.21Å; S597-N619 PolarHBondContact OG-OD1 2.62Å; S597-N619 VanDerWaalsContact OG-OD1 3.06Å; I615-N619 VanDerWaalsContact CG2-ND2 3.31Å; I615-N619 WeakPolarHBondContact CG2-ND2 3.46Å; I615-N619 VanDerWaalsContact O-CB 3.32Å; I615-N619 WeakPolarHBondContact O-CB 3.22Å; I615-N619 PolarHBondContact O-N 3.09Å; I615-N619 PolarHBondContact O-ND2 2.99Å; N616-N619 PolarHBondContact O-N 2.62Å; L617-N619 VanDerWaalsContact C-N 3.29Å; L617-N619 PolarHBondContact O-N 2.89Å; N619-F621 VanDerWaalsContact C-N 3.3Å; N619-F621 PolarHBondContact O-N 3.21Å
620	S	94.1	Very high	85	Confident	28 Å²	28	50.5 Å²	50.5	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-76	-17.4	-179.3	77.6	0	0	0	0	113.8	N616 L617 A618 H622 K694	N616-S620 VanDerWaalsContact O-CB 3.25Å; N616-S620 WeakPolarHBondContact O-CB 3.39Å; N616-S620 PolarHBondContact O-N 3.27Å; L617-S620 PolarHBondContact O-N 3.23Å; L617-S620 PolarHBondContact O-OG 3.35Å; A618-S620 VanDerWaalsContact C-N 3.33Å; A618-S620 PolarHBondContact O-N 2.88Å; S620-H622 PolarHBondContact O-N 2.96Å; S620-K694 WeakPolarHBondContact OG-CD 3.36Å; S620-K694 WeakPolarHBondContact OG-CG 3.29Å
621	F	94.8	Very high	84.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.			trans	-65.3	135.6	178	-79.1	-77.5	0	0	0	112.3	F589 K593 L617 N619 A691 K694 I696 L729 E732 V733	F589-F621 WeakPolarHBondContact CE1-O 3.36Å; F589-F621 HydrophobicContact CZ-CB 4.02Å; K593-F621 PolarHBondContact NZ-O 3.28Å; L617-F621 HydrophobicContact CD1-CE2 3.95Å; L617-F621 HydrophobicContact CD1-CZ 4.25Å; L617-F621 HydrophobicContact CG-CE2 3.93Å; L617-F621 VanDerWaalsContact O-CD2 3.24Å; L617-F621 WeakPolarHBondContact O-CD2 3.29Å; L617-F621 PolarHBondContact O-N 3.37Å; N619-F621 VanDerWaalsContact C-N 3.3Å; N619-F621 PolarHBondContact O-N 3.21Å; F621-A691 HydrophobicContact CZ-CB 4.13Å; F621-K694 CarbonylContact C-O 3.53Å; F621-K694 VanDerWaalsContact CA-O 3.32Å; F621-K694 WeakPolarHBondContact CA-O 3.32Å; F621-I696 HydrophobicContact CD1-CD1 4.33Å; F621-I696 HydrophobicContact CD1-CG1 4.03Å; F621-L729 HydrophobicContact CB-CD2 4.21Å; F621-L729 HydrophobicContact CD2-CD2 4.31Å; F621-L729 HydrophobicContact CG-CD2 4.38Å; F621-E732 HydrophobicContact CE1-CB 4.01Å; F621-E732 HydrophobicContact CE1-CG 4.13Å; F621-E732 HydrophobicContact CE2-CB 3.99Å; F621-E732 HydrophobicContact CZ-CB 3.43Å; F621-E732 VanDerWaalsContact CZ-CB 3.43Å; F621-E732 HydrophobicContact CZ-CG 4.06Å; F621-V733 HydrophobicContact CE2-CG2 4.13Å
622	H	95.1	Very high	83.1	Confident	120 Å²	120	49.5 Å²	49.5	56%	0.556	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	149.6	167.2	-66.1	-70.2	0	0	0	110.7	S620 K694 L695 I696	S620-H622 PolarHBondContact O-N 2.96Å; H622-K694 PolarHBondContact N-O 3.41Å; H622-L695 HydrophobicContact CB-CD1 4.27Å; H622-I696 PolarHBondContact O-N 2.81Å
623	L	94.7	Very high	81.9	Confident	18 Å²	18	43.4 Å²	43.4	9%	0.094	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.3	170.4	-176.7	65.1	0	0	0	109.5	V585 F586 F589 I696 I698 I725	V585-L623 HydrophobicContact CG1-CD2 3.85Å; F586-L623 HydrophobicContact CD1-CB 4.07Å; F586-L623 HydrophobicContact CD1-CD2 3.91Å; F586-L623 HydrophobicContact CD1-CG 4.17Å; F586-L623 HydrophobicContact CE1-CB 4.07Å; F586-L623 HydrophobicContact CE1-CD2 4.14Å; F586-L623 HydrophobicContact CE1-CG 4.01Å; F586-L623 WeakPolarHBondContact CE1-O 3.17Å; F589-L623 HydrophobicContact CB-CB 4.37Å; F589-L623 HydrophobicContact CB-CD2 3.82Å; F589-L623 HydrophobicContact CD1-CB 3.61Å; F589-L623 HydrophobicContact CD2-CB 4.02Å; F589-L623 HydrophobicContact CD2-CD2 4.32Å; F589-L623 HydrophobicContact CE1-CB 3.76Å; F589-L623 HydrophobicContact CE2-CB 4.15Å; F589-L623 HydrophobicContact CG-CB 3.73Å; F589-L623 HydrophobicContact CG-CD2 4.02Å; F589-L623 HydrophobicContact CG-CG 4.43Å; F589-L623 HydrophobicContact CZ-CB 4.01Å; L623-I696 CarbonylContact C-O 3.57Å; L623-I696 WeakPolarHBondContact CA-O 2.92Å; L623-I696 HydrophobicContact CD1-CB 4.2Å; L623-I696 HydrophobicContact CD1-CG2 3.76Å; L623-I698 HydrophobicContact CD1-CD1 4.22Å; L623-I698 HydrophobicContact CD1-CG1 4.03Å; L623-I698 HydrophobicContact CD1-CG2 3.94Å; L623-I698 HydrophobicContact CD2-CD1 4.13Å; L623-I725 HydrophobicContact CD2-CD1 4.44Å
624	S	90	Very high	81	Confident	44 Å²	44	43.1 Å²	43.1	31%	0.308	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.2	169.3	-179.8	0	0	0	0	110.2	I696 K697 I698	S624-I696 PolarHBondContact N-O 3.18Å; S624-K697 WeakPolarHBondContact O-CA 3.43Å; S624-I698 PolarHBondContact O-N 2.79Å
625	I	86.8	Confident	80.3	Confident	12 Å²	12	46.5 Å²	46.5	6%	0.062	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.8	176.4	-57.2	170.6	0	0	0	108	I577 K582 F586 T627 S630 I698 L703	I577-I625 HydrophobicContact CD1-CG2 3.73Å; K582-I625 HydrophobicContact CB-CD1 3.87Å; K582-I625 HydrophobicContact CD-CD1 4.31Å; K582-I625 HydrophobicContact CG-CD1 3.84Å; F586-I625 HydrophobicContact CE1-CD1 4.11Å; F586-I625 HydrophobicContact CE1-CG1 4.11Å; F586-I625 HydrophobicContact CE2-CD1 3.82Å; F586-I625 HydrophobicContact CZ-CD1 3.58Å; F586-I625 HydrophobicContact CZ-CG1 3.81Å; I625-T627 HydrophobicContact CG2-CG2 3.9Å; I625-T627 PolarHBondContact O-N 3.01Å; I625-S630 PolarHBondContact O-OG 3.43Å; I625-S630 VanDerWaalsContact O-OG 3.08Å; I625-I698 CarbonylContact C-O 3.08Å; I625-I698 WeakPolarHBondContact CA-O 3.5Å; I625-I698 HydrophobicContact CB-CG1 4.44Å; I625-I698 HydrophobicContact CG1-CD1 4.02Å; I625-I698 HydrophobicContact CG1-CG1 3.86Å; I625-L703 HydrophobicContact CD1-CD1 3.92Å; I625-L703 HydrophobicContact CG1-CD1 4.44Å; I625-L703 HydrophobicContact CG2-CD1 3.79Å
626	I	78.9	Confident	79.5	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	118	176.2	-63.4	-172	0	0	0	108.3	L631 T682 Y686 K697 I698 A700	I626-L631 HydrophobicContact CG2-CD1 3.64Å; I626-L631 HydrophobicContact CG2-CG 3.95Å; I626-T682 HydrophobicContact CG2-CG2 3.83Å; I626-Y686 WeakPolarHBondContact CD1-OH 3.28Å; I626-K697 HydrophobicContact CD1-CB 3.85Å; I626-K697 HydrophobicContact CD1-CD 3.69Å; I626-K697 HydrophobicContact CD1-CG 3.95Å; I626-K697 HydrophobicContact CG1-CB 4.33Å; I626-I698 PolarHBondContact N-O 3.03Å; I626-A700 PolarHBondContact O-N 3.23Å
627	T	76.5	Confident	78.9	Confident	9 Å²	9	42.2 Å²	42.2	6%	0.055	22%	0.224	C	C	.	.			trans	-124.7	165.1	178.5	72.7	0	0	0	0	108.5	I577 I625 K629 S630 L631	I577-T627 HydrophobicContact CD1-CG2 3.56Å; I625-T627 HydrophobicContact CG2-CG2 3.9Å; I625-T627 PolarHBondContact O-N 3.01Å; T627-K629 PolarHBondContact O-N 2.94Å; T627-K629 PolarHBondContact OG1-N 2.6Å; T627-S630 PolarHBondContact N-OG 3.21Å; T627-S630 VanDerWaalsContact N-OG 3.15Å; T627-S630 WeakPolarHBondContact O-CB 3.18Å; T627-S630 PolarHBondContact O-N 3.13Å; T627-S630 PolarHBondContact OG1-N 3.3Å; T627-S630 PolarHBondContact OG1-OG 3.32Å; T627-L631 PolarHBondContact O-N 3.4Å
628	S	67.4	Low	78.3	Confident	23 Å²	23	44 Å²	44	16%	0.161	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-13.6	173.2	87	0	0	0	0	113.9	S575 L631 T682	S575-S628 VanDerWaalsContact CB-CB 3.49Å; S575-S628 WeakPolarHBondContact CB-OG 3.26Å; S575-S628 PolarHBondContact OG-OG 3.1Å; S628-L631 CarbonylContact C-O 3.57Å; S628-T682 PolarHBondContact N-OG1 3.08Å
629	K	65.6	Low	77.5	Confident	176 Å²	176	48.9 Å²	48.9	77%	0.765	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-29.6	172.2	-66.3	-175.6	178.7	-178.5	0	112.9	T627 L631	T627-K629 PolarHBondContact O-N 2.94Å; T627-K629 PolarHBondContact OG1-N 2.6Å; K629-L631 VanDerWaalsContact C-N 3.25Å
630	S	63.4	Low	77	Confident	69 Å²	69	46 Å²	46	48%	0.483	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-31.5	179.6	-46	0	0	0	0	110.5	I625 T627	I625-S630 PolarHBondContact O-OG 3.43Å; I625-S630 VanDerWaalsContact O-OG 3.08Å; T627-S630 PolarHBondContact N-OG 3.21Å; T627-S630 VanDerWaalsContact N-OG 3.15Å; T627-S630 WeakPolarHBondContact O-CB 3.18Å; T627-S630 PolarHBondContact O-N 3.13Å; T627-S630 PolarHBondContact OG1-N 3.3Å; T627-S630 PolarHBondContact OG1-OG 3.32Å
631	L	60.6	Low	76.6	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.042	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	124.3	169.4	-71.2	173.9	0	0	0	107.9	W566 I626 T627 S628 K629 A633 E677 T682	W566-L631 HydrophobicContact CH2-CD1 3.81Å; W566-L631 HydrophobicContact CZ3-CD1 3.55Å; I626-L631 HydrophobicContact CG2-CD1 3.64Å; I626-L631 HydrophobicContact CG2-CG 3.95Å; T627-L631 PolarHBondContact O-N 3.4Å; S628-L631 CarbonylContact C-O 3.57Å; K629-L631 VanDerWaalsContact C-N 3.25Å; L631-A633 PolarHBondContact O-N 3.17Å; L631-E677 WeakPolarHBondContact CD2-OE2 3.47Å; L631-T682 HydrophobicContact CD1-CG2 3.61Å
632	S	62.4	Low	76.5	Confident	49 Å²	49	45.5 Å²	45.5	34%	0.343	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	83.2	161.8	50.3	0	0	0	0	107.7	E634 D635 R636	S632-E634 PolarHBondContact O-N 3.44Å; S632-E634 VanDerWaalsContact O-N 3.13Å; S632-D635 WeakPolarHBondContact CB-OD2 3.27Å; S632-D635 PolarHBondContact O-N 3.02Å; S632-D635 VanDerWaalsContact OG-CB 3.29Å; S632-D635 WeakPolarHBondContact OG-CB 3.1Å; S632-D635 VanDerWaalsContact OG-CG 3.26Å; S632-D635 PolarHBondContact OG-OD2 3.36Å; S632-R636 PolarHBondContact O-N 3.05Å
633	A	61.7	Low	76.3	Confident	2 Å²	2	42 Å²	42	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-52.2	-34.8	176.5	0	0	0	0	0	109.4	L631 R636 E637	L631-A633 PolarHBondContact O-N 3.17Å; A633-R636 PolarHBondContact O-N 2.84Å; A633-E637 WeakPolarHBondContact O-CB 3.48Å; A633-E637 PolarHBondContact O-N 2.96Å
634	E	66.6	Low	76	Confident	106 Å²	106	44.3 Å²	44.3	50%	0.495	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-47.5	173.6	-64.1	78.1	-168.4	0	0	113.2	S632 R636 S638	S632-E634 PolarHBondContact O-N 3.44Å; S632-E634 VanDerWaalsContact O-N 3.13Å; E634-R636 VanDerWaalsContact C-N 3.34Å; E634-R636 PolarHBondContact O-N 3.04Å; E634-S638 VanDerWaalsContact O-CB 3.27Å; E634-S638 WeakPolarHBondContact O-CB 2.87Å; E634-S638 PolarHBondContact O-N 3.45Å
635	D	70.8	Confident	76.1	Confident	87 Å²	87	43.2 Å²	43.2	47%	0.465	23%	0.225	S	C	.	.	H	α-helix	trans	-68.8	-35.6	179.5	-63.5	-29.6	0	0	0	111.1	S632 S638 R639	S632-D635 WeakPolarHBondContact CB-OD2 3.27Å; S632-D635 PolarHBondContact O-N 3.02Å; S632-D635 VanDerWaalsContact OG-CB 3.29Å; S632-D635 WeakPolarHBondContact OG-CB 3.1Å; S632-D635 VanDerWaalsContact OG-CG 3.26Å; S632-D635 PolarHBondContact OG-OD2 3.36Å; D635-S638 WeakPolarHBondContact CA-OG 3.24Å; D635-S638 PolarHBondContact O-N 3.19Å; D635-S638 PolarHBondContact O-OG 2.93Å; D635-R639 WeakPolarHBondContact O-CG 3.14Å; D635-R639 PolarHBondContact O-N 3.49Å; D635-R639 PolarHBondContact O-NE 2.59Å; D635-R639 VanDerWaalsContact O-NE 3.13Å
636	R	73.8	Confident	76.4	Confident	32 Å²	32	50.8 Å²	50.8	12%	0.121	26%	0.26	C	S	.	.	H	α-helix	trans	-72.5	-44.6	177.3	-70.2	-172.9	167	-147.6	-12.2	112.2	W566 S632 A633 E634 S638 R639 D640 E677	W566-R636 HydrophobicContact CD2-CB 3.69Å; W566-R636 HydrophobicContact CD2-CG 4.47Å; W566-R636 HydrophobicContact CE3-CB 4.32Å; W566-R636 HydrophobicContact CG-CB 3.73Å; S632-R636 PolarHBondContact O-N 3.05Å; A633-R636 PolarHBondContact O-N 2.84Å; E634-R636 VanDerWaalsContact C-N 3.34Å; E634-R636 PolarHBondContact O-N 3.04Å; R636-S638 PolarHBondContact O-N 2.68Å; R636-R639 CarbonylContact O-C 3.59Å; R636-R639 WeakPolarHBondContact O-CA 3.44Å; R636-R639 PolarHBondContact O-N 2.87Å; R636-D640 PolarHBondContact O-N 3.46Å; R636-D640 VanDerWaalsContact O-N 3.1Å; R636-E677 VanDerWaalsContact NH2-CG 3.28Å; R636-E677 IonicContact NH2-OE2 2.84Å
637	E	79.2	Confident	77.2	Confident	6 Å²	6	51 Å²	51	3%	0.028	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-38	172.4	-168.1	-166.9	-138.3	0	0	110.4	R298 W566 T567 A633 R639 D640 F643	R298-E637 WeakPolarHBondContact CD-OE1 3.39Å; R298-E637 WeakPolarHBondContact CD-OE2 3.15Å; R298-E637 IonicContact CZ-OE2 2.78Å; R298-E637 IonicContact NE-OE2 2.79Å; R298-E637 IonicContact NH1-OE2 2.65Å; R298-E637 PolarHBondContact NH1-OE2 3.32Å; W566-E637 HydrophobicContact CB-CB 3.76Å; W566-E637 HydrophobicContact CB-CG 4.32Å; T567-E637 VanDerWaalsContact CA-OE1 3.28Å; T567-E637 WeakPolarHBondContact CA-OE1 3.08Å; T567-E637 VanDerWaalsContact CB-OE1 3.29Å; T567-E637 WeakPolarHBondContact CB-OE1 3.4Å; T567-E637 PolarHBondContact OG1-OE1 3.46Å; A633-E637 WeakPolarHBondContact O-CB 3.48Å; A633-E637 PolarHBondContact O-N 2.96Å; E637-R639 PolarHBondContact O-N 3.49Å; E637-D640 PolarHBondContact O-N 3.32Å; E637-F643 HydrophobicContact CG-CD2 4.5Å; E637-F643 HydrophobicContact CG-CE2 3.7Å; E637-F643 HydrophobicContact CG-CZ 4.31Å; E637-F643 WeakPolarHBondContact O-CD2 3.45Å
638	S	76	Confident	78.1	Confident	65 Å²	65	52.7 Å²	52.7	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-67.3	-19.7	175.7	83.1	0	0	0	0	114.6	E634 D635 R636	E634-S638 VanDerWaalsContact O-CB 3.27Å; E634-S638 WeakPolarHBondContact O-CB 2.87Å; E634-S638 PolarHBondContact O-N 3.45Å; D635-S638 WeakPolarHBondContact CA-OG 3.24Å; D635-S638 PolarHBondContact O-N 3.19Å; D635-S638 PolarHBondContact O-OG 2.93Å; R636-S638 PolarHBondContact O-N 2.68Å
639	R	75	Confident	79.3	Confident	102 Å²	102	54.8 Å²	54.8	39%	0.385	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.9	176.7	-72	-178.8	-73.2	-178.3	-4.3	112.9	D635 R636 E637 F641	D635-R639 WeakPolarHBondContact O-CG 3.14Å; D635-R639 PolarHBondContact O-N 3.49Å; D635-R639 PolarHBondContact O-NE 2.59Å; D635-R639 VanDerWaalsContact O-NE 3.13Å; R636-R639 CarbonylContact O-C 3.59Å; R636-R639 WeakPolarHBondContact O-CA 3.44Å; R636-R639 PolarHBondContact O-N 2.87Å; E637-R639 PolarHBondContact O-N 3.49Å; R639-F641 PolarHBondContact O-N 2.93Å
640	D	83.1	Confident	80.5	Confident	8 Å²	8	53 Å²	53	4%	0.043	28%	0.28	C	S	.	.			trans	-74.1	118	-179.5	-154.7	-37.1	0	0	0	110.7	R636 E637 I642 F643 T662 K666	R636-D640 PolarHBondContact O-N 3.46Å; R636-D640 VanDerWaalsContact O-N 3.1Å; E637-D640 PolarHBondContact O-N 3.32Å; D640-I642 HydrophobicContact CB-CG2 4.22Å; D640-I642 PolarHBondContact O-N 3.03Å; D640-I642 VanDerWaalsContact O-N 3.14Å; D640-I642 PolarHBondContact OD1-N 3.33Å; D640-F643 HydrophobicContact CB-CD2 3.91Å; D640-F643 HydrophobicContact CB-CE2 3.97Å; D640-F643 PolarHBondContact O-N 2Å; D640-T662 WeakPolarHBondContact OD1-CG2 3.32Å; D640-K666 VanDerWaalsContact CG-NZ 3.28Å; D640-K666 WeakPolarHBondContact OD1-CE 3.45Å; D640-K666 IonicContact OD1-NZ 2.68Å; D640-K666 PolarHBondContact OD1-NZ 2.82Å; D640-K666 IonicContact OD2-NZ 3.78Å; D640-K666 PolarHBondContact OD2-NZ 3.22Å
641	F	87.5	Confident	81.9	Confident	17 Å²	17	50.5 Å²	50.5	8%	0.075	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-65.8	-14.8	-176.6	-52.3	-66.8	0	0	0	113.1	L483 R639 F643 T644 N645 T662 L665 K666 Y669	L483-F641 HydrophobicContact CD2-CD1 4.12Å; L483-F641 HydrophobicContact CD2-CD2 4.5Å; L483-F641 HydrophobicContact CD2-CE1 3.49Å; L483-F641 VanDerWaalsContact CD2-CE1 3.49Å; L483-F641 HydrophobicContact CD2-CE2 3.91Å; L483-F641 HydrophobicContact CD2-CZ 3.37Å; R639-F641 PolarHBondContact O-N 2.93Å; F641-F643 PolarHBondContact O-N 3.5Å; F641-T644 PolarHBondContact O-N 3.03Å; F641-T644 PolarHBondContact O-OG1 3.3Å; F641-N645 PolarHBondContact O-ND2 3.36Å; F641-T662 HydrophobicContact CB-CG2 4.2Å; F641-L665 HydrophobicContact CB-CB 4.16Å; F641-L665 HydrophobicContact CB-CD1 3.9Å; F641-L665 HydrophobicContact CD1-CB 4.45Å; F641-L665 HydrophobicContact CD1-CD1 4.47Å; F641-L665 HydrophobicContact CD2-CB 3.64Å; F641-L665 HydrophobicContact CE2-CB 4.17Å; F641-L665 HydrophobicContact CG-CB 3.82Å; F641-L665 HydrophobicContact CG-CD1 4.15Å; F641-K666 HydrophobicContact CD2-CG 3.78Å; F641-K666 HydrophobicContact CE2-CG 4.07Å; F641-Y669 HydrophobicContact CE2-CG 4.22Å; F641-Y669 AromaticContact CZ-CD2 3.96Å; F641-Y669 HydrophobicContact CZ-CD2 3.96Å; F641-Y669 AromaticContact CZ-CG 3.89Å; F641-Y669 HydrophobicContact CZ-CG 3.89Å
642	I	92.3	Very high	83.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.3	-35.2	174.7	-164.7	63.6	0	0	0	111.4	N563 F564 D640 T644 N645 I647 T662	N563-I642 HydrophobicContact CB-CG1 4.38Å; F564-I642 HydrophobicContact CD1-CG2 4.39Å; F564-I642 HydrophobicContact CE1-CG1 4.05Å; F564-I642 HydrophobicContact CE1-CG2 4.12Å; F564-I642 HydrophobicContact CZ-CG1 3.87Å; D640-I642 HydrophobicContact CB-CG2 4.22Å; D640-I642 PolarHBondContact O-N 3.03Å; D640-I642 VanDerWaalsContact O-N 3.14Å; D640-I642 PolarHBondContact OD1-N 3.33Å; I642-T644 VanDerWaalsContact C-N 3.26Å; I642-T644 PolarHBondContact O-N 2.54Å; I642-N645 PolarHBondContact O-N 2.79Å; I642-I647 HydrophobicContact CD1-CD1 3.92Å; I642-I647 HydrophobicContact CG1-CD1 4.02Å; I642-I647 HydrophobicContact CG1-CG1 4.47Å; I642-T662 WeakPolarHBondContact CA-OG1 3.48Å; I642-T662 HydrophobicContact CB-CG2 4.19Å; I642-T662 PolarHBondContact N-OG1 2.76Å
643	F	91.2	Very high	85.1	Confident	48 Å²	48	48.2 Å²	48.2	21%	0.211	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-80.2	1.5	-179.8	-56.5	-60.8	0	0	0	114.2	R298 F564 T567 E637 D640 F641 N645	R298-F643 HydrophobicContact CB-CD1 4.27Å; R298-F643 HydrophobicContact CB-CE1 3.62Å; R298-F643 HydrophobicContact CB-CE2 4.42Å; R298-F643 HydrophobicContact CB-CZ 3.72Å; R298-F643 HydrophobicContact CG-CD1 3.94Å; R298-F643 HydrophobicContact CG-CD2 4.43Å; R298-F643 HydrophobicContact CG-CE1 3.79Å; R298-F643 HydrophobicContact CG-CE2 4.3Å; R298-F643 HydrophobicContact CG-CG 4.27Å; R298-F643 HydrophobicContact CG-CZ 4Å; F564-F643 AromaticContact CD1-CE1 3.96Å; F564-F643 HydrophobicContact CD1-CE1 3.96Å; F564-F643 AromaticContact CD1-CZ 3.87Å; F564-F643 HydrophobicContact CD1-CZ 3.87Å; F564-F643 AromaticContact CE1-CE1 3.87Å; F564-F643 HydrophobicContact CE1-CE1 3.87Å; F564-F643 HydrophobicContact CE1-CZ 4.22Å; T567-F643 VanDerWaalsContact OG1-CZ 3.28Å; T567-F643 WeakPolarHBondContact OG1-CZ 3.37Å; E637-F643 HydrophobicContact CG-CD2 4.5Å; E637-F643 HydrophobicContact CG-CE2 3.7Å; E637-F643 HydrophobicContact CG-CZ 4.31Å; E637-F643 WeakPolarHBondContact O-CD2 3.45Å; D640-F643 HydrophobicContact CB-CD2 3.91Å; D640-F643 HydrophobicContact CB-CE2 3.97Å; D640-F643 PolarHBondContact O-N 2Å; F641-F643 PolarHBondContact O-N 3.5Å; F643-N645 PolarHBondContact O-N 2.88Å
644	T	88.5	Confident	86.7	Confident	66 Å²	66	48.9 Å²	48.9	41%	0.405	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-77	-5.7	165.1	73.9	0	0	0	0	112.2	E482 F641 I642	E482-T644 PolarHBondContact OE2-OG1 2.92Å; F641-T644 PolarHBondContact O-N 3.03Å; F641-T644 PolarHBondContact O-OG1 3.3Å; I642-T644 VanDerWaalsContact C-N 3.26Å; I642-T644 PolarHBondContact O-N 2.54Å
645	N	91.3	Very high	88.2	Confident	21 Å²	21	43.9 Å²	43.9	11%	0.112	22%	0.224	C	C	.	.	S	Bend	trans	-125.6	152.1	-178.8	-44.1	-85.8	0	0	0	109.8	F641 I642 F643 Y658 K661	F641-N645 PolarHBondContact O-ND2 3.36Å; I642-N645 PolarHBondContact O-N 2.79Å; F643-N645 PolarHBondContact O-N 2.88Å; N645-Y658 HydrophobicContact CB-CD1 3.61Å; N645-Y658 HydrophobicContact CB-CD2 3.58Å; N645-Y658 HydrophobicContact CB-CE1 3.8Å; N645-Y658 HydrophobicContact CB-CE2 3.75Å; N645-Y658 HydrophobicContact CB-CG 3.5Å; N645-Y658 VanDerWaalsContact CG-CD1 3.48Å; N645-Y658 WeakPolarHBondContact OD1-CD1 3.49Å; N645-K661 PolarHBondContact OD1-NZ 2.66Å
646	E	93	Very high	89.3	Confident	171 Å²	171	39.9 Å²	39.9	80%	0.799	20%	0.203	S	C	*	.			trans	-86.8	119.8	178.2	-173.4	175.1	179.4	0	0	109.9	Y658	E646-Y658 WeakPolarHBondContact O-CE2 3.48Å
647	I	95.6	Very high	90.5	Very high	6 Å²	6	39 Å²	39	3%	0.031	20%	0.199	C	C	.	.			trans	-93.8	118.1	-177.2	-53.4	-57.7	0	0	0	109.5	S301 N304 Y305 F564 I642 Y658	S301-I647 WeakPolarHBondContact O-CG2 3.34Å; N304-I647 HydrophobicContact CB-CG2 4.25Å; N304-I647 PolarHBondContact ND2-O 3.46Å; Y305-I647 HydrophobicContact CD2-CG2 4.12Å; F564-I647 HydrophobicContact CE1-CG1 4.48Å; F564-I647 HydrophobicContact CZ-CG1 4.14Å; F564-I647 HydrophobicContact CZ-CG2 4.34Å; I642-I647 HydrophobicContact CD1-CD1 3.92Å; I642-I647 HydrophobicContact CG1-CD1 4.02Å; I642-I647 HydrophobicContact CG1-CG1 4.47Å; I647-Y658 HydrophobicContact CD1-CD2 4.02Å
648	S	94.9	Very high	91.3	Very high	44 Å²	44	41 Å²	41	31%	0.308	21%	0.207	S	C	.	.			trans	-104.1	137.7	-174.9	-178.9	0	0	0	0	111.8	D650 N655	S648-D650 PolarHBondContact O-N 3.08Å; S648-D650 PolarHBondContact OG-N 3.05Å; S648-N655 PolarHBondContact N-OD1 3.29Å; S648-N655 PolarHBondContact O-ND2 2.72Å
649	E	93.4	Very high	92.2	Very high	68 Å²	68	38.1 Å²	38.1	32%	0.318	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.3	172.2	-175	168.2	157.8	0	0	111.6	N304 K307 S308	N304-E649 HydrophobicContact CB-CB 4.17Å; K307-E649 HydrophobicContact CB-CG 3.91Å; K307-E649 HydrophobicContact CD-CG 3.94Å; K307-E649 WeakPolarHBondContact CD-OE1 3.36Å; K307-E649 WeakPolarHBondContact CD-OE2 3.46Å; K307-E649 VanDerWaalsContact NZ-CD 3.25Å; K307-E649 IonicContact NZ-OE1 2.88Å; K307-E649 PolarHBondContact NZ-OE1 3.19Å; K307-E649 IonicContact NZ-OE2 3.77Å; K307-E649 PolarHBondContact NZ-OE2 2.85Å; S308-E649 VanDerWaalsContact CA-O 3.32Å; S308-E649 WeakPolarHBondContact CA-O 3.33Å; S308-E649 WeakPolarHBondContact CB-O 2.95Å
650	D	91.2	Very high	93.2	Very high	138 Å²	138	34.8 Å²	34.8	74%	0.738	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-2.1	-172.8	-59.3	-47.8	0	0	0	114.4	S648	S648-D650 PolarHBondContact O-N 3.08Å; S648-D650 PolarHBondContact OG-N 3.05Å
651	D	92.2	Very high	93.8	Very high	16 Å²	16	35 Å²	35	9%	0.086	18%	0.176	C	C	.	.			trans	-132.5	71.9	-172.7	-156.7	-34.8	0	0	0	112.6	K326 F653 M654 N655	K326-D651 IonicContact NZ-OD2 2.72Å; K326-D651 PolarHBondContact NZ-OD2 3.36Å; D651-F653 VanDerWaalsContact C-N 3.33Å; D651-F653 PolarHBondContact O-N 2.83Å; D651-M654 HydrophobicContact CB-CB 4.15Å; D651-M654 PolarHBondContact O-N 3.16Å; D651-M654 WeakPolarHBondContact OD1-CB 3.03Å; D651-M654 PolarHBondContact OD1-N 3.1Å; D651-N655 WeakPolarHBondContact O-CB 3.44Å; D651-N655 PolarHBondContact O-N 3.47Å; D651-N655 PolarHBondContact O-ND2 2.9Å; D651-N655 PolarHBondContact O-OD1 2.98Å
652	Y	94.7	Very high	94	Very high	8 Å²	8	34.2 Å²	34.2	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-58.6	-42.4	-180	174.8	-116.4	0	0	0	112.9	S308 C309 I536 Y540 E559 N655 V656	S308-Y652 WeakPolarHBondContact O-CB 3.4Å; C309-Y652 VanDerWaalsContact CA-CD2 3.43Å; C309-Y652 HydrophobicContact CB-CD2 3.78Å; C309-Y652 HydrophobicContact CB-CE2 3.46Å; C309-Y652 VanDerWaalsContact CB-CE2 3.46Å; I536-Y652 HydrophobicContact CG2-CE1 3.85Å; Y540-Y652 HydrophobicContact CE2-CE1 4.5Å; E559-Y652 PolarHBondContact OE1-OH 3.21Å; E559-Y652 PolarHBondContact OE2-OH 2.86Å; Y652-N655 WeakPolarHBondContact O-CB 3.41Å; Y652-N655 PolarHBondContact O-N 3.07Å; Y652-V656 HydrophobicContact CD1-CG2 4.38Å; Y652-V656 HydrophobicContact CD2-CG2 4.12Å; Y652-V656 HydrophobicContact CE1-CG2 3.91Å; Y652-V656 HydrophobicContact CE2-CG2 3.63Å; Y652-V656 HydrophobicContact CG-CG2 4.48Å; Y652-V656 WeakPolarHBondContact O-CG2 3.47Å; Y652-V656 PolarHBondContact O-N 3.16Å
653	F	95	Very high	94	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-70	-35.4	-176.5	-76.9	-77.2	0	0	0	112.5	I320 E323 V324 L327 I536 L537 Y540 D651 Y657	I320-F653 HydrophobicContact CD1-CE2 4.14Å; I320-F653 HydrophobicContact CG2-CE2 3.85Å; I320-F653 HydrophobicContact CG2-CZ 3.79Å; E323-F653 HydrophobicContact CB-CD2 3.72Å; E323-F653 HydrophobicContact CB-CE2 4.26Å; V324-F653 HydrophobicContact CG2-CD1 4.2Å; V324-F653 HydrophobicContact CG2-CD2 4.39Å; V324-F653 HydrophobicContact CG2-CE1 3.89Å; V324-F653 HydrophobicContact CG2-CE2 4.09Å; V324-F653 HydrophobicContact CG2-CG 4.44Å; V324-F653 HydrophobicContact CG2-CZ 3.83Å; L327-F653 HydrophobicContact CB-CB 4.45Å; L327-F653 HydrophobicContact CD2-CB 3.96Å; I536-F653 HydrophobicContact CG2-CE1 4.15Å; L537-F653 HydrophobicContact CD2-CE1 3.83Å; L537-F653 HydrophobicContact CD2-CZ 4.37Å; Y540-F653 HydrophobicContact CD2-CZ 4.05Å; Y540-F653 HydrophobicContact CE2-CE1 4.49Å; Y540-F653 AromaticContact CE2-CZ 3.84Å; Y540-F653 HydrophobicContact CE2-CZ 3.84Å; D651-F653 VanDerWaalsContact C-N 3.33Å; D651-F653 PolarHBondContact O-N 2.83Å; F653-Y657 PolarHBondContact O-N 3.06Å; F653-Y657 VanDerWaalsContact O-N 3.11Å
654	M	96.3	Very high	94.1	Very high	15 Å²	15	36.7 Å²	36.7	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-68.7	-40.1	170.5	-168.8	68.2	76	0	0	111.6	L327 T330 L331 D651 V656 Y657 Y658	L327-M654 HydrophobicContact CD1-CB 4.43Å; L327-M654 HydrophobicContact CD1-CE 3.99Å; L327-M654 HydrophobicContact CD1-SD 3.79Å; T330-M654 HydrophobicContact CG2-CE 3.57Å; L331-M654 HydrophobicContact CD2-SD 4.25Å; D651-M654 HydrophobicContact CB-CB 4.15Å; D651-M654 PolarHBondContact O-N 3.16Å; D651-M654 WeakPolarHBondContact OD1-CB 3.03Å; D651-M654 PolarHBondContact OD1-N 3.1Å; M654-V656 VanDerWaalsContact C-N 3.32Å; M654-V656 PolarHBondContact O-N 3.16Å; M654-Y657 WeakPolarHBondContact O-CB 3.44Å; M654-Y657 PolarHBondContact O-N 3.05Å; M654-Y657 VanDerWaalsContact O-N 3.1Å; M654-Y657 HydrophobicContact SD-CD1 4.02Å; M654-Y658 HydrophobicContact CG-CD2 4.12Å; M654-Y658 HydrophobicContact CG-CE1 4.23Å; M654-Y658 HydrophobicContact CG-CE2 3.48Å; M654-Y658 VanDerWaalsContact CG-CE2 3.48Å; M654-Y658 WeakPolarHBondContact O-CD2 2.97Å; M654-Y658 PolarHBondContact O-N 3.17Å; M654-Y658 HydrophobicContact SD-CE1 4.14Å; M654-Y658 HydrophobicContact SD-CE2 4.43Å
655	N	96.6	Very high	94.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-42	174.3	-70.7	-15	0	0	0	112	Y305 S308 S648 D651 Y652 Y657 Y658 S659	Y305-N655 HydrophobicContact CD2-CB 3.73Å; Y305-N655 HydrophobicContact CE2-CB 3.67Å; Y305-N655 WeakPolarHBondContact CE2-O 3.17Å; S308-N655 PolarHBondContact OG-ND2 3.04Å; S648-N655 PolarHBondContact N-OD1 3.29Å; S648-N655 PolarHBondContact O-ND2 2.72Å; D651-N655 WeakPolarHBondContact O-CB 3.44Å; D651-N655 PolarHBondContact O-N 3.47Å; D651-N655 PolarHBondContact O-ND2 2.9Å; D651-N655 PolarHBondContact O-OD1 2.98Å; Y652-N655 WeakPolarHBondContact O-CB 3.41Å; Y652-N655 PolarHBondContact O-N 3.07Å; N655-Y657 VanDerWaalsContact C-N 3.34Å; N655-Y657 PolarHBondContact O-N 3.19Å; N655-Y658 PolarHBondContact O-N 2.93Å; N655-S659 PolarHBondContact O-N 3.12Å
656	V	95.4	Very high	94.1	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	17%	0.168	C	C	.	.	H	α-helix	trans	-58.2	-45.5	172.3	162.3	0	0	0	0	111.1	I533 I536 Y652 M654 Y658 S659 Q660	I533-V656 HydrophobicContact CG2-CG1 4.17Å; I536-V656 HydrophobicContact CD1-CB 4.24Å; I536-V656 HydrophobicContact CD1-CG1 3.25Å; I536-V656 HydrophobicContact CD1-CG2 3.9Å; Y652-V656 HydrophobicContact CD1-CG2 4.38Å; Y652-V656 HydrophobicContact CD2-CG2 4.12Å; Y652-V656 HydrophobicContact CE1-CG2 3.91Å; Y652-V656 HydrophobicContact CE2-CG2 3.63Å; Y652-V656 HydrophobicContact CG-CG2 4.48Å; Y652-V656 WeakPolarHBondContact O-CG2 3.47Å; Y652-V656 PolarHBondContact O-N 3.16Å; M654-V656 VanDerWaalsContact C-N 3.32Å; M654-V656 PolarHBondContact O-N 3.16Å; V656-Y658 PolarHBondContact O-N 2.89Å; V656-S659 WeakPolarHBondContact O-CB 3.25Å; V656-S659 PolarHBondContact O-N 3.47Å; V656-Q660 WeakPolarHBondContact O-CG 3.49Å; V656-Q660 PolarHBondContact O-N 3.48Å
657	Y	97.5	Very high	93.8	Very high	13 Å²	13	29.5 Å²	29.5	5%	0.051	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-44.1	175.8	169.2	-108	0	0	0	112	L331 P366 Q370 F529 F653 M654 N655 S659 Q660 K661	L331-Y657 HydrophobicContact CD1-CD1 4.04Å; L331-Y657 HydrophobicContact CD1-CD2 3.85Å; L331-Y657 HydrophobicContact CD1-CE1 4.23Å; L331-Y657 HydrophobicContact CD1-CE2 4.05Å; L331-Y657 HydrophobicContact CD1-CG 3.83Å; L331-Y657 HydrophobicContact CD2-CD1 3.78Å; L331-Y657 HydrophobicContact CD2-CE1 3.47Å; L331-Y657 VanDerWaalsContact CD2-CE1 3.47Å; L331-Y657 HydrophobicContact CD2-CG 4.43Å; P366-Y657 WeakPolarHBondContact CA-OH 3.18Å; P366-Y657 HydrophobicContact CB-CE2 4.48Å; P366-Y657 WeakPolarHBondContact O-CE2 3.23Å; Q370-Y657 HydrophobicContact CB-CE2 4.35Å; F529-Y657 AromaticContact CE2-CD2 3.65Å; F529-Y657 HydrophobicContact CE2-CD2 3.65Å; F529-Y657 AromaticContact CE2-CE2 3.98Å; F529-Y657 HydrophobicContact CE2-CE2 3.98Å; F529-Y657 AromaticContact CZ-CD2 3.93Å; F529-Y657 HydrophobicContact CZ-CD2 3.93Å; F529-Y657 HydrophobicContact CZ-CG 4.5Å; F653-Y657 PolarHBondContact O-N 3.06Å; F653-Y657 VanDerWaalsContact O-N 3.11Å; M654-Y657 WeakPolarHBondContact O-CB 3.44Å; M654-Y657 PolarHBondContact O-N 3.05Å; M654-Y657 VanDerWaalsContact O-N 3.1Å; M654-Y657 HydrophobicContact SD-CD1 4.02Å; N655-Y657 VanDerWaalsContact C-N 3.34Å; N655-Y657 PolarHBondContact O-N 3.19Å; Y657-S659 VanDerWaalsContact C-N 3.3Å; Y657-S659 PolarHBondContact O-N 2.96Å; Y657-Q660 PolarHBondContact O-N 3.46Å; Y657-K661 WeakPolarHBondContact O-CB 3.4Å; Y657-K661 PolarHBondContact O-N 3.47Å
658	Y	97	Very high	93.5	Very high	47 Å²	47	29.3 Å²	29.3	18%	0.184	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-32.3	175.8	-63.5	-33.6	0	0	0	113.2	N645 E646 I647 M654 N655 V656 T662	N645-Y658 HydrophobicContact CB-CD1 3.61Å; N645-Y658 HydrophobicContact CB-CD2 3.58Å; N645-Y658 HydrophobicContact CB-CE1 3.8Å; N645-Y658 HydrophobicContact CB-CE2 3.75Å; N645-Y658 HydrophobicContact CB-CG 3.5Å; N645-Y658 VanDerWaalsContact CG-CD1 3.48Å; N645-Y658 WeakPolarHBondContact OD1-CD1 3.49Å; E646-Y658 WeakPolarHBondContact O-CE2 3.48Å; I647-Y658 HydrophobicContact CD1-CD2 4.02Å; M654-Y658 HydrophobicContact CG-CD2 4.12Å; M654-Y658 HydrophobicContact CG-CE1 4.23Å; M654-Y658 HydrophobicContact CG-CE2 3.48Å; M654-Y658 VanDerWaalsContact CG-CE2 3.48Å; M654-Y658 WeakPolarHBondContact O-CD2 2.97Å; M654-Y658 PolarHBondContact O-N 3.17Å; M654-Y658 HydrophobicContact SD-CE1 4.14Å; M654-Y658 HydrophobicContact SD-CE2 4.43Å; N655-Y658 PolarHBondContact O-N 2.93Å; V656-Y658 PolarHBondContact O-N 2.89Å; Y658-T662 WeakPolarHBondContact O-CB 3.07Å; Y658-T662 PolarHBondContact O-N 3.15Å; Y658-T662 PolarHBondContact O-OG1 3.08Å
659	S	95.2	Very high	93.1	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.035	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-50	169.7	179.1	0	0	0	0	111.2	Y305 N563 N655 V656 Y657 K661 T662 K663	Y305-S659 WeakPolarHBondContact OH-CB 3.38Å; N563-S659 WeakPolarHBondContact ND2-CB 3.29Å; N563-S659 PolarHBondContact ND2-OG 3.18Å; N563-S659 VanDerWaalsContact OD1-CA 3.3Å; N563-S659 WeakPolarHBondContact OD1-CA 3.2Å; N563-S659 WeakPolarHBondContact OD1-CB 3.32Å; N563-S659 PolarHBondContact OD1-OG 3.09Å; N655-S659 PolarHBondContact O-N 3.12Å; V656-S659 WeakPolarHBondContact O-CB 3.25Å; V656-S659 PolarHBondContact O-N 3.47Å; Y657-S659 VanDerWaalsContact C-N 3.3Å; Y657-S659 PolarHBondContact O-N 2.96Å; S659-K661 PolarHBondContact O-N 2.9Å; S659-T662 WeakPolarHBondContact O-CB 2.91Å; S659-T662 PolarHBondContact O-N 2.78Å; S659-K663 WeakPolarHBondContact O-CG 3.46Å; S659-K663 PolarHBondContact O-N 2.75Å; S659-K663 VanDerWaalsContact OG-CE 3.31Å; S659-K663 WeakPolarHBondContact OG-CE 3.36Å
660	Q	95.4	Very high	92.6	Very high	32 Å²	32	34.3 Å²	34.3	15%	0.15	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-43.6	177.4	-69.3	-177.8	-44.2	0	0	112	Q370 N532 I533 V656 Y657 T662 K663 F664	Q370-Q660 HydrophobicContact CG-CB 4Å; Q370-Q660 HydrophobicContact CG-CG 4.45Å; N532-Q660 PolarHBondContact O-NE2 3.34Å; I533-Q660 VanDerWaalsContact CG2-OE1 3.25Å; V656-Q660 WeakPolarHBondContact O-CG 3.49Å; V656-Q660 PolarHBondContact O-N 3.48Å; Y657-Q660 PolarHBondContact O-N 3.46Å; Q660-T662 VanDerWaalsContact C-N 3.34Å; Q660-T662 PolarHBondContact O-N 3.48Å; Q660-K663 PolarHBondContact O-N 2.96Å; Q660-F664 PolarHBondContact O-N 2.88Å
661	K	95.6	Very high	92.2	Very high	13 Å²	13	29 Å²	29	6%	0.057	14%	0.137	C	C	.	.	H	α-helix	trans	-55.6	-47.8	172.4	179.7	-178.9	170.1	-167.4	0	112	L369 E482 N645 Y657 S659 K663 F664 L665	L369-K661 HydrophobicContact CB-CG 4.26Å; L369-K661 HydrophobicContact CD1-CD 4.4Å; L369-K661 VanDerWaalsContact O-CA 3.27Å; L369-K661 WeakPolarHBondContact O-CA 3.23Å; E482-K661 IonicContact OE1-NZ 2.72Å; E482-K661 PolarHBondContact OE1-NZ 2.92Å; E482-K661 VanDerWaalsContact OE1-NZ 3.07Å; E482-K661 VanDerWaalsContact OE2-CE 3.26Å; E482-K661 WeakPolarHBondContact OE2-CE 3.15Å; E482-K661 IonicContact OE2-NZ 4Å; E482-K661 PolarHBondContact OE2-NZ 2.8Å; N645-K661 PolarHBondContact OD1-NZ 2.66Å; Y657-K661 WeakPolarHBondContact O-CB 3.4Å; Y657-K661 PolarHBondContact O-N 3.47Å; S659-K661 PolarHBondContact O-N 2.9Å; K661-K663 PolarHBondContact O-N 2.63Å; K661-F664 PolarHBondContact O-N 2.96Å; K661-L665 HydrophobicContact CG-CD1 4Å; K661-L665 HydrophobicContact CG-CG 4.5Å; K661-L665 WeakPolarHBondContact O-CG 3.13Å; K661-L665 PolarHBondContact O-N 2.92Å
662	T	92.7	Very high	91.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-45.1	177.4	-61.8	0	0	0	0	111.6	D640 F641 I642 Y658 S659 Q660 F664 L665 K666	D640-T662 WeakPolarHBondContact OD1-CG2 3.32Å; F641-T662 HydrophobicContact CB-CG2 4.2Å; I642-T662 WeakPolarHBondContact CA-OG1 3.48Å; I642-T662 HydrophobicContact CB-CG2 4.19Å; I642-T662 PolarHBondContact N-OG1 2.76Å; Y658-T662 WeakPolarHBondContact O-CB 3.07Å; Y658-T662 PolarHBondContact O-N 3.15Å; Y658-T662 PolarHBondContact O-OG1 3.08Å; S659-T662 WeakPolarHBondContact O-CB 2.91Å; S659-T662 PolarHBondContact O-N 2.78Å; Q660-T662 VanDerWaalsContact C-N 3.34Å; Q660-T662 PolarHBondContact O-N 3.48Å; T662-F664 PolarHBondContact O-N 3.42Å; T662-L665 PolarHBondContact O-N 3.47Å; T662-K666 HydrophobicContact CG2-CD 3.96Å; T662-K666 HydrophobicContact CG2-CG 4.23Å; T662-K666 WeakPolarHBondContact O-CB 2.85Å; T662-K666 WeakPolarHBondContact O-CG 3.14Å; T662-K666 PolarHBondContact O-N 3.16Å
663	K	91	Very high	90.8	Very high	85 Å²	85	31.6 Å²	31.6	37%	0.37	15%	0.152	S	C	.	.	H	α-helix	trans	-59.8	-45.4	178.1	-67.4	175.5	-156.1	-155	0	111.8	E562 S659 Q660 K661 K666 S667	E562-K663 VanDerWaalsContact OE1-CD 3.26Å; E562-K663 WeakPolarHBondContact OE1-CD 3.41Å; E562-K663 WeakPolarHBondContact OE1-CE 3.23Å; E562-K663 IonicContact OE1-NZ 3.89Å; E562-K663 PolarHBondContact OE1-NZ 2.74Å; E562-K663 VanDerWaalsContact OE2-CE 3.3Å; E562-K663 WeakPolarHBondContact OE2-CE 3.42Å; E562-K663 IonicContact OE2-NZ 2.63Å; E562-K663 PolarHBondContact OE2-NZ 3.48Å; S659-K663 WeakPolarHBondContact O-CG 3.46Å; S659-K663 PolarHBondContact O-N 2.75Å; S659-K663 VanDerWaalsContact OG-CE 3.31Å; S659-K663 WeakPolarHBondContact OG-CE 3.36Å; Q660-K663 PolarHBondContact O-N 2.96Å; K661-K663 PolarHBondContact O-N 2.63Å; K663-K666 PolarHBondContact O-N 2.89Å; K663-S667 PolarHBondContact O-N 3.3Å
664	F	93.3	Very high	89.2	Confident	14 Å²	14	36.4 Å²	36.4	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-47.8	176.4	174	-114.4	0	0	0	111.7	L369 L379 I479 Q660 K661 T662 K666 S667 I668	L369-F664 HydrophobicContact CD2-CD1 4.27Å; L369-F664 HydrophobicContact CD2-CE1 4.29Å; L369-F664 WeakPolarHBondContact O-CB 3.37Å; L379-F664 HydrophobicContact CD2-CZ 4.26Å; I479-F664 HydrophobicContact CG2-CE1 4.35Å; Q660-F664 PolarHBondContact O-N 2.88Å; K661-F664 PolarHBondContact O-N 2.96Å; T662-F664 PolarHBondContact O-N 3.42Å; F664-K666 PolarHBondContact O-N 2.95Å; F664-S667 WeakPolarHBondContact O-CB 3.02Å; F664-S667 PolarHBondContact O-N 3.21Å; F664-S667 VanDerWaalsContact O-N 3.11Å; F664-S667 PolarHBondContact O-OG 2.87Å; F664-I668 HydrophobicContact CD1-CD1 4.39Å; F664-I668 HydrophobicContact CE1-CD1 3.73Å; F664-I668 HydrophobicContact CE2-CD1 4.03Å; F664-I668 HydrophobicContact CE2-CG1 4.35Å; F664-I668 HydrophobicContact CZ-CD1 3.55Å; F664-I668 HydrophobicContact CZ-CG1 4.35Å; F664-I668 PolarHBondContact O-N 3.48Å; F664-I668 VanDerWaalsContact O-N 3.16Å
665	L	92	Very high	87.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-40.8	177.9	-68.4	174.3	0	0	0	112.6	L369 I479 E482 L483 F641 K661 T662 S667 I668 Y669	L369-L665 HydrophobicContact CD2-CD2 4.47Å; I479-L665 HydrophobicContact CG2-CD2 4.42Å; E482-L665 HydrophobicContact CB-CD1 3.8Å; E482-L665 HydrophobicContact CB-CD2 3.97Å; E482-L665 HydrophobicContact CG-CD1 4.4Å; L483-L665 HydrophobicContact CD2-CB 3.82Å; L483-L665 HydrophobicContact CD2-CD2 3.82Å; L483-L665 HydrophobicContact CD2-CG 4.34Å; L483-L665 HydrophobicContact CG-CD2 4.06Å; F641-L665 HydrophobicContact CB-CB 4.16Å; F641-L665 HydrophobicContact CB-CD1 3.9Å; F641-L665 HydrophobicContact CD1-CB 4.45Å; F641-L665 HydrophobicContact CD1-CD1 4.47Å; F641-L665 HydrophobicContact CD2-CB 3.64Å; F641-L665 HydrophobicContact CE2-CB 4.17Å; F641-L665 HydrophobicContact CG-CB 3.82Å; F641-L665 HydrophobicContact CG-CD1 4.15Å; K661-L665 HydrophobicContact CG-CD1 4Å; K661-L665 HydrophobicContact CG-CG 4.5Å; K661-L665 WeakPolarHBondContact O-CG 3.13Å; K661-L665 PolarHBondContact O-N 2.92Å; T662-L665 PolarHBondContact O-N 3.47Å; L665-S667 VanDerWaalsContact C-N 3.29Å; L665-S667 PolarHBondContact O-N 2.95Å; L665-I668 PolarHBondContact O-N 2.65Å; L665-Y669 PolarHBondContact O-N 2.95Å
666	K	87.9	Confident	85.6	Confident	45 Å²	45	44.7 Å²	44.7	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-39.9	172.5	-74.9	-177.6	178.1	173.9	0	111.4	D640 F641 T662 K663 F664 I668 Y669 K670	D640-K666 VanDerWaalsContact CG-NZ 3.28Å; D640-K666 WeakPolarHBondContact OD1-CE 3.45Å; D640-K666 IonicContact OD1-NZ 2.68Å; D640-K666 PolarHBondContact OD1-NZ 2.82Å; D640-K666 IonicContact OD2-NZ 3.78Å; D640-K666 PolarHBondContact OD2-NZ 3.22Å; F641-K666 HydrophobicContact CD2-CG 3.78Å; F641-K666 HydrophobicContact CE2-CG 4.07Å; T662-K666 HydrophobicContact CG2-CD 3.96Å; T662-K666 HydrophobicContact CG2-CG 4.23Å; T662-K666 WeakPolarHBondContact O-CB 2.85Å; T662-K666 WeakPolarHBondContact O-CG 3.14Å; T662-K666 PolarHBondContact O-N 3.16Å; K663-K666 PolarHBondContact O-N 2.89Å; F664-K666 PolarHBondContact O-N 2.95Å; K666-I668 VanDerWaalsContact C-N 3.31Å; K666-I668 PolarHBondContact O-N 3.22Å; K666-Y669 PolarHBondContact O-N 2.92Å; K666-K670 WeakPolarHBondContact O-CB 3.28Å; K666-K670 PolarHBondContact O-N 2.94Å
667	S	87.6	Confident	83.9	Confident	63 Å²	63	47 Å²	47	44%	0.441	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-37.9	176.9	81.2	0	0	0	0	112.5	K663 F664 L665	K663-S667 PolarHBondContact O-N 3.3Å; F664-S667 WeakPolarHBondContact O-CB 3.02Å; F664-S667 PolarHBondContact O-N 3.21Å; F664-S667 VanDerWaalsContact O-N 3.11Å; F664-S667 PolarHBondContact O-OG 2.87Å; L665-S667 VanDerWaalsContact C-N 3.29Å; L665-S667 PolarHBondContact O-N 2.95Å
668	I	89.5	Confident	82	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-70	-47.6	174.4	-63	175.4	0	0	0	110.4	L379 L381 I479 F480 L483 F664 L665 K666 K670 S671 L672	L379-I668 HydrophobicContact CD2-CD1 4.47Å; L381-I668 HydrophobicContact CB-CG1 4.46Å; L381-I668 HydrophobicContact CB-CG2 4.01Å; L381-I668 HydrophobicContact CD2-CG2 3.75Å; L381-I668 HydrophobicContact CG-CG2 4.42Å; I479-I668 HydrophobicContact CG2-CD1 3.68Å; F480-I668 HydrophobicContact CE1-CG2 4.16Å; L483-I668 HydrophobicContact CD1-CB 4Å; L483-I668 HydrophobicContact CD1-CG2 3.44Å; L483-I668 VanDerWaalsContact CD1-CG2 3.44Å; F664-I668 HydrophobicContact CD1-CD1 4.39Å; F664-I668 HydrophobicContact CE1-CD1 3.73Å; F664-I668 HydrophobicContact CE2-CD1 4.03Å; F664-I668 HydrophobicContact CE2-CG1 4.35Å; F664-I668 HydrophobicContact CZ-CD1 3.55Å; F664-I668 HydrophobicContact CZ-CG1 4.35Å; F664-I668 PolarHBondContact O-N 3.48Å; F664-I668 VanDerWaalsContact O-N 3.16Å; L665-I668 PolarHBondContact O-N 2.65Å; K666-I668 VanDerWaalsContact C-N 3.31Å; K666-I668 PolarHBondContact O-N 3.22Å; I668-K670 VanDerWaalsContact C-N 3.3Å; I668-K670 PolarHBondContact O-N 3.25Å; I668-S671 WeakPolarHBondContact O-CB 3.43Å; I668-S671 PolarHBondContact O-N 3.21Å; I668-S671 VanDerWaalsContact O-N 3.07Å; I668-L672 HydrophobicContact CG2-CD1 4.34Å; I668-L672 PolarHBondContact O-N 3.13Å
669	Y	85.4	Confident	80.4	Confident	63 Å²	63	51.1 Å²	51.1	25%	0.247	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-38.4	-178.3	-173.7	-98.1	0	0	0	112.4	F641 L665 K666 S671 L672 D673	F641-Y669 HydrophobicContact CE2-CG 4.22Å; F641-Y669 AromaticContact CZ-CD2 3.96Å; F641-Y669 HydrophobicContact CZ-CD2 3.96Å; F641-Y669 AromaticContact CZ-CG 3.89Å; F641-Y669 HydrophobicContact CZ-CG 3.89Å; L665-Y669 PolarHBondContact O-N 2.95Å; K666-Y669 PolarHBondContact O-N 2.92Å; Y669-S671 PolarHBondContact O-N 3.1Å; Y669-L672 WeakPolarHBondContact O-CA 3.2Å; Y669-L672 WeakPolarHBondContact O-CB 3.22Å; Y669-L672 PolarHBondContact O-N 3.1Å; Y669-D673 HydrophobicContact CE1-CB 4.11Å; Y669-D673 PolarHBondContact O-N 3.42Å
670	K	82.7	Confident	78.9	Confident	155 Å²	155	51.3 Å²	51.3	67%	0.674	27%	0.274	S	S	*	.	H	α-helix	trans	-58.3	-36.8	174.7	-174.4	-179.8	178.8	-177.2	0	112.2	K666 I668 L672 D673	K666-K670 WeakPolarHBondContact O-CB 3.28Å; K666-K670 PolarHBondContact O-N 2.94Å; I668-K670 VanDerWaalsContact C-N 3.3Å; I668-K670 PolarHBondContact O-N 3.25Å; K670-L672 VanDerWaalsContact C-N 3.27Å; K670-L672 PolarHBondContact O-N 3.04Å; K670-D673 CarbonylContact O-C 3.53Å
671	S	84	Confident	77.6	Confident	26 Å²	26	49.9 Å²	49.9	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-72.8	-18.3	174.3	-63.4	0	0	0	0	112.9	L381 N383 I668 Y669	L381-S671 WeakPolarHBondContact O-CB 3.08Å; L381-S671 PolarHBondContact O-OG 3.45Å; N383-S671 VanDerWaalsContact CB-O 3.3Å; N383-S671 WeakPolarHBondContact CB-O 3.42Å; N383-S671 PolarHBondContact ND2-O 2.96Å; I668-S671 WeakPolarHBondContact O-CB 3.43Å; I668-S671 PolarHBondContact O-N 3.21Å; I668-S671 VanDerWaalsContact O-N 3.07Å; Y669-S671 PolarHBondContact O-N 3.1Å
672	L	82.1	Confident	76.4	Confident	35 Å²	35	49.3 Å²	49.3	18%	0.183	27%	0.265	C	S	.	.	H	α-helix	trans	-89.7	-32.1	176.5	-63.1	173.9	0	0	0	113.5	L381 P387 L483 Y485 M491 I668 Y669 K670	L381-L672 HydrophobicContact CD2-CD1 4.35Å; L381-L672 HydrophobicContact CD2-CD2 3.34Å; L381-L672 HydrophobicContact CD2-CG 3.55Å; P387-L672 HydrophobicContact CB-CD2 3.87Å; P387-L672 HydrophobicContact CG-CD2 4.14Å; L483-L672 HydrophobicContact CD1-CD1 4.46Å; Y485-L672 HydrophobicContact CD1-CD1 4.17Å; Y485-L672 HydrophobicContact CD2-CD1 3.96Å; Y485-L672 HydrophobicContact CE1-CD1 4.42Å; Y485-L672 HydrophobicContact CE1-CD2 4.14Å; Y485-L672 HydrophobicContact CE2-CD1 4.19Å; Y485-L672 HydrophobicContact CE2-CD2 4.29Å; Y485-L672 HydrophobicContact CG-CD1 3.93Å; M491-L672 HydrophobicContact CE-CD2 3.26Å; I668-L672 HydrophobicContact CG2-CD1 4.34Å; I668-L672 PolarHBondContact O-N 3.13Å; Y669-L672 WeakPolarHBondContact O-CA 3.2Å; Y669-L672 WeakPolarHBondContact O-CB 3.22Å; Y669-L672 PolarHBondContact O-N 3.1Å; K670-L672 VanDerWaalsContact C-N 3.27Å; K670-L672 PolarHBondContact O-N 3.04Å
673	D	73.8	Confident	75.3	Confident	44 Å²	44	49.9 Å²	49.9	24%	0.235	27%	0.267	C	S	.	.			trans	-123.6	90.7	-179.5	-174.5	5.7	0	0	0	110.1	Y669 K670 N675 A676	Y669-D673 HydrophobicContact CE1-CB 4.11Å; Y669-D673 PolarHBondContact O-N 3.42Å; K670-D673 CarbonylContact O-C 3.53Å; D673-N675 PolarHBondContact O-N 3.46Å; D673-N675 PolarHBondContact OD1-N 2.75Å; D673-A676 WeakPolarHBondContact O-CB 3.42Å; D673-A676 PolarHBondContact O-N 3.28Å
674	T	62	Low	74.5	Confident	103 Å²	103	48.7 Å²	48.7	63%	0.632	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.6	178.8	50.2	0	0	0	0	113.1	N383 A676	N383-T674 WeakPolarHBondContact ND2-CG2 3.39Å; T674-A676 PolarHBondContact O-N 3.33Å
675	N	58.3	Low	73.6	Confident	142 Å²	142	48.5 Å²	48.5	76%	0.759	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	3.4	177.8	-66.4	-45	0	0	0	112.8	D673 E677	D673-N675 PolarHBondContact O-N 3.46Å; D673-N675 PolarHBondContact OD1-N 2.75Å; N675-E677 PolarHBondContact O-N 2.91Å; N675-E677 VanDerWaalsContact O-N 3.13Å
676	A	60.2	Low	72.9	Confident	47 Å²	47	48.9 Å²	48.9	39%	0.388	27%	0.265	S	S	.	.			trans	-64.1	112.9	178	0	0	0	0	0	111	D673 T674	D673-A676 WeakPolarHBondContact O-CB 3.42Å; D673-A676 PolarHBondContact O-N 3.28Å; T674-A676 PolarHBondContact O-N 3.33Å
677	E	58.4	Low	72.7	Confident	52 Å²	52	46.7 Å²	46.7	24%	0.243	26%	0.256	C	S	.	.			trans	-61.9	156.1	175	-41.2	-166.7	129.1	0	0	111.8	L631 R636 N675 K697	L631-E677 WeakPolarHBondContact CD2-OE2 3.47Å; R636-E677 VanDerWaalsContact NH2-CG 3.28Å; R636-E677 IonicContact NH2-OE2 2.84Å; N675-E677 PolarHBondContact O-N 2.91Å; N675-E677 VanDerWaalsContact O-N 3.13Å; E677-K697 IonicContact OE1-NZ 3.46Å; E677-K697 PolarHBondContact OE1-NZ 3.11Å
678	P	58.6	Low	72.4	Confident	49 Å²	49	44.5 Å²	44.5	32%	0.318	24%	0.24	S	C	.	.			trans	-51.3	145.3	-172.2	-27.4	34.3	0	0	0	115.1	A680	P678-A680 HydrophobicContact CB-CB 4.41Å; P678-A680 PolarHBondContact O-N 3.3Å
679	D	62.5	Low	72	Confident	98 Å²	98	45.1 Å²	45.1	52%	0.524	25%	0.247	S	C	.	.	S	Bend	trans	-45.3	59.9	151.9	63.5	-126.7	0	0	0	114.4	R565 W566	R565-D679 PolarHBondContact NH1-O 3.02Å; R565-D679 PolarHBondContact NH2-O 3.3Å; W566-D679 HydrophobicContact CZ2-CB 4.26Å
680	A	64.1	Low	71.7	Confident	10 Å²	10	43.5 Å²	43.5	8%	0.083	25%	0.245	C	C	.	.			trans	-133.5	137.5	-178.7	0	0	0	0	0	112.6	R565 P678 Y686	R565-A680 VanDerWaalsContact NH1-C 3.34Å; R565-A680 VanDerWaalsContact NH1-N 3.17Å; P678-A680 HydrophobicContact CB-CB 4.41Å; P678-A680 PolarHBondContact O-N 3.3Å; A680-Y686 HydrophobicContact CB-CD1 3.47Å; A680-Y686 VanDerWaalsContact CB-CD1 3.47Å; A680-Y686 HydrophobicContact CB-CD2 4.5Å; A680-Y686 HydrophobicContact CB-CE1 3.42Å; A680-Y686 VanDerWaalsContact CB-CE1 3.42Å; A680-Y686 HydrophobicContact CB-CE2 4.46Å; A680-Y686 HydrophobicContact CB-CG 4.06Å
681	F	68.6	Low	71.3	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.009	22%	0.217	C	C	.	.			trans	-71.6	139.2	167.8	-71.1	-85.6	0	0	0	109	K561 R565 I568 F683 M684	K561-F681 HydrophobicContact CB-CE2 3.69Å; K561-F681 HydrophobicContact CB-CZ 3.82Å; K561-F681 HydrophobicContact CD-CE2 4.42Å; K561-F681 HydrophobicContact CG-CE2 3.78Å; K561-F681 HydrophobicContact CG-CZ 3.84Å; K561-F681 VanDerWaalsContact O-CZ 3.31Å; K561-F681 WeakPolarHBondContact O-CZ 3.36Å; R565-F681 HydrophobicContact CB-CD1 4.49Å; R565-F681 HydrophobicContact CB-CE1 3.87Å; R565-F681 HydrophobicContact CB-CE2 4.33Å; R565-F681 HydrophobicContact CB-CZ 3.76Å; R565-F681 HydrophobicContact CG-CD1 3.59Å; R565-F681 HydrophobicContact CG-CD2 3.98Å; R565-F681 HydrophobicContact CG-CE1 3.45Å; R565-F681 VanDerWaalsContact CG-CE1 3.45Å; R565-F681 HydrophobicContact CG-CE2 3.8Å; R565-F681 HydrophobicContact CG-CG 3.9Å; R565-F681 HydrophobicContact CG-CZ 3.54Å; R565-F681 VanDerWaalsContact O-CE1 3.24Å; R565-F681 WeakPolarHBondContact O-CE1 3.28Å; I568-F681 HydrophobicContact CB-CE1 4.02Å; I568-F681 HydrophobicContact CD1-CE1 4.26Å; I568-F681 HydrophobicContact CD1-CZ 4.26Å; I568-F681 HydrophobicContact CG2-CE1 4.07Å; F681-F683 HydrophobicContact CB-CD1 4.05Å; F681-F683 HydrophobicContact CB-CD2 4.3Å; F681-F683 HydrophobicContact CB-CE1 3.87Å; F681-F683 HydrophobicContact CB-CE2 4.1Å; F681-F683 HydrophobicContact CB-CG 4.26Å; F681-F683 HydrophobicContact CB-CZ 3.88Å; F681-F683 HydrophobicContact CD1-CD1 4.13Å; F681-F683 AromaticContact CD1-CE1 3.2Å; F681-F683 HydrophobicContact CD1-CE1 3.2Å; F681-F683 HydrophobicContact CD1-CE2 4.21Å; F681-F683 AromaticContact CD1-CZ 3.24Å; F681-F683 HydrophobicContact CD1-CZ 3.24Å; F681-F683 HydrophobicContact CD2-CZ 4.38Å; F681-F683 AromaticContact CE1-CE1 3.9Å; F681-F683 HydrophobicContact CE1-CE1 3.9Å; F681-F683 AromaticContact CE1-CZ 3.7Å; F681-F683 HydrophobicContact CE1-CZ 3.7Å; F681-F683 HydrophobicContact CG-CD1 4.48Å; F681-F683 AromaticContact CG-CE1 3.81Å; F681-F683 HydrophobicContact CG-CE1 3.81Å; F681-F683 HydrophobicContact CG-CE2 4.13Å; F681-F683 AromaticContact CG-CZ 3.59Å; F681-F683 HydrophobicContact CG-CZ 3.59Å; F681-F683 HydrophobicContact CZ-CZ 4.47Å; F681-F683 PolarHBondContact O-N 2.88Å; F681-M684 HydrophobicContact CB-CB 3.92Å; F681-M684 HydrophobicContact CB-CG 3.79Å; F681-M684 HydrophobicContact CB-SD 4.2Å; F681-M684 HydrophobicContact CD2-CG 4.11Å; F681-M684 HydrophobicContact CD2-SD 3.42Å; F681-M684 WeakPolarHBondContact CD2-SD 3.42Å; F681-M684 HydrophobicContact CE2-SD 4.18Å; F681-M684 HydrophobicContact CG-CG 4.29Å; F681-M684 HydrophobicContact CG-SD 4.17Å; F681-M684 PolarHBondContact O-N 2.84Å
682	T	68.7	Low	70.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.7	179.7	89.9	0	0	0	0	111.4	E569 I626 S628 L631 S699 A700 G701	E569-T682 HydrophobicContact CG-CG2 4.27Å; E569-T682 WeakPolarHBondContact OE1-CB 3.34Å; E569-T682 PolarHBondContact OE1-OG1 2.99Å; E569-T682 PolarHBondContact OE2-N 3.49Å; I626-T682 HydrophobicContact CG2-CG2 3.83Å; S628-T682 PolarHBondContact N-OG1 3.08Å; L631-T682 HydrophobicContact CD1-CG2 3.61Å; T682-S699 WeakPolarHBondContact O-CB 3.44Å; T682-S699 PolarHBondContact O-OG 2.98Å; T682-A700 CarbonylContact O-C 3.56Å; T682-A700 WeakPolarHBondContact O-CA 3.35Å; T682-A700 WeakPolarHBondContact O-CB 3.38Å; T682-A700 PolarHBondContact O-N 3.32Å; T682-G701 PolarHBondContact O-N 3.23Å
683	F	70.9	Confident	70.9	Confident	14 Å²	14	47.3 Å²	47.3	6%	0.061	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-16.1	173.5	66.2	-103.2	0	0	0	114.9	A280 I284 I568 E569 H572 F681 G701	A280-F683 HydrophobicContact CB-CD2 4.36Å; A280-F683 HydrophobicContact CB-CE2 4.23Å; I284-F683 HydrophobicContact CD1-CE2 4.15Å; I284-F683 HydrophobicContact CD1-CZ 3.98Å; I284-F683 HydrophobicContact CG1-CZ 4.28Å; I568-F683 HydrophobicContact CG2-CE1 3.96Å; I568-F683 HydrophobicContact CG2-CZ 3.93Å; E569-F683 WeakPolarHBondContact OE2-CD1 3.47Å; E569-F683 WeakPolarHBondContact OE2-CE1 3.39Å; H572-F683 HydrophobicContact CB-CD1 3.84Å; H572-F683 HydrophobicContact CB-CE1 4.23Å; H572-F683 WeakPolarHBondContact CE1-CB 3.36Å; H572-F683 AromaticContact CE1-CG 3.79Å; H572-F683 AromaticContact CG-CD1 3.63Å; H572-F683 AromaticContact CG-CG 3.97Å; H572-F683 WeakPolarHBondContact ND1-CB 3.49Å; H572-F683 AromaticContact ND1-CD1 3.78Å; H572-F683 AromaticContact ND1-CG 3.87Å; H572-F683 AromaticContact NE2-CG 3.96Å; F681-F683 HydrophobicContact CB-CD1 4.05Å; F681-F683 HydrophobicContact CB-CD2 4.3Å; F681-F683 HydrophobicContact CB-CE1 3.87Å; F681-F683 HydrophobicContact CB-CE2 4.1Å; F681-F683 HydrophobicContact CB-CG 4.26Å; F681-F683 HydrophobicContact CB-CZ 3.88Å; F681-F683 HydrophobicContact CD1-CD1 4.13Å; F681-F683 AromaticContact CD1-CE1 3.2Å; F681-F683 HydrophobicContact CD1-CE1 3.2Å; F681-F683 HydrophobicContact CD1-CE2 4.21Å; F681-F683 AromaticContact CD1-CZ 3.24Å; F681-F683 HydrophobicContact CD1-CZ 3.24Å; F681-F683 HydrophobicContact CD2-CZ 4.38Å; F681-F683 AromaticContact CE1-CE1 3.9Å; F681-F683 HydrophobicContact CE1-CE1 3.9Å; F681-F683 AromaticContact CE1-CZ 3.7Å; F681-F683 HydrophobicContact CE1-CZ 3.7Å; F681-F683 HydrophobicContact CG-CD1 4.48Å; F681-F683 AromaticContact CG-CE1 3.81Å; F681-F683 HydrophobicContact CG-CE1 3.81Å; F681-F683 HydrophobicContact CG-CE2 4.13Å; F681-F683 AromaticContact CG-CZ 3.59Å; F681-F683 HydrophobicContact CG-CZ 3.59Å; F681-F683 HydrophobicContact CZ-CZ 4.47Å; F681-F683 PolarHBondContact O-N 2.88Å; F683-G701 WeakPolarHBondContact O-CA 3.45Å
684	M	74	Confident	71.7	Confident	59 Å²	59	50 Å²	50	29%	0.291	28%	0.277	S	S	.	.	S	Bend	trans	-76.1	129.8	167.9	-76.2	-177.7	66.4	0	0	107.6	F681 Y686 S699	F681-M684 HydrophobicContact CB-CB 3.92Å; F681-M684 HydrophobicContact CB-CG 3.79Å; F681-M684 HydrophobicContact CB-SD 4.2Å; F681-M684 HydrophobicContact CD2-CG 4.11Å; F681-M684 HydrophobicContact CD2-SD 3.42Å; F681-M684 WeakPolarHBondContact CD2-SD 3.42Å; F681-M684 HydrophobicContact CE2-SD 4.18Å; F681-M684 HydrophobicContact CG-CG 4.29Å; F681-M684 HydrophobicContact CG-SD 4.17Å; F681-M684 PolarHBondContact O-N 2.84Å; M684-Y686 PolarHBondContact O-N 3.48Å; M684-S699 WeakPolarHBondContact O-CB 3.45Å; M684-S699 PolarHBondContact O-OG 2.94Å
685	P	74.8	Confident	72.9	Confident	11 Å²	11	47.3 Å²	47.3	7%	0.071	26%	0.258	C	S	.	.			trans	-55.1	125.6	174.5	20.9	-29.7	0	0	0	108.7	S699 L702 Y707 Y819 V823	P685-S699 WeakPolarHBondContact CA-OG 3.49Å; P685-L702 HydrophobicContact CB-CD2 3.6Å; P685-L702 HydrophobicContact CB-CG 3.8Å; P685-Y707 HydrophobicContact CB-CD2 4.16Å; P685-Y707 HydrophobicContact CB-CE2 3.55Å; P685-Y707 HydrophobicContact CG-CE2 3.57Å; P685-Y707 WeakPolarHBondContact CG-OH 3.49Å; P685-Y819 HydrophobicContact CG-CD1 4.38Å; P685-Y819 HydrophobicContact CG-CE1 4.48Å; P685-V823 HydrophobicContact CB-CG1 4.13Å; P685-V823 HydrophobicContact CB-CG2 3.88Å; P685-V823 HydrophobicContact CG-CG2 3.75Å; P685-V823 WeakPolarHBondContact O-CA 3.23Å; P685-V823 WeakPolarHBondContact O-CB 3.39Å; P685-V823 WeakPolarHBondContact O-CG1 3.44Å; P685-V823 WeakPolarHBondContact O-CG2 3.33Å
686	Y	77.1	Confident	74.5	Confident	7 Å²	7	40.5 Å²	40.5	3%	0.027	22%	0.222	C	C	.	.			trans	-154.6	152	166.6	84.7	-95	0	0	0	112.3	I626 A680 M684 I698 S699 L702 V823	I626-Y686 WeakPolarHBondContact CD1-OH 3.28Å; A680-Y686 HydrophobicContact CB-CD1 3.47Å; A680-Y686 VanDerWaalsContact CB-CD1 3.47Å; A680-Y686 HydrophobicContact CB-CD2 4.5Å; A680-Y686 HydrophobicContact CB-CE1 3.42Å; A680-Y686 VanDerWaalsContact CB-CE1 3.42Å; A680-Y686 HydrophobicContact CB-CE2 4.46Å; A680-Y686 HydrophobicContact CB-CG 4.06Å; M684-Y686 PolarHBondContact O-N 3.48Å; Y686-I698 WeakPolarHBondContact O-CA 3.22Å; Y686-S699 PolarHBondContact N-OG 3.04Å; Y686-S699 PolarHBondContact O-N 2.78Å; Y686-L702 VanDerWaalsContact O-CD1 3.25Å; Y686-L702 WeakPolarHBondContact O-CD1 3.18Å; Y686-V823 CarbonylContact C-O 3.57Å; Y686-V823 WeakPolarHBondContact CA-O 3.38Å; Y686-V823 VanDerWaalsContact CB-O 3.23Å; Y686-V823 WeakPolarHBondContact CB-O 3.39Å
687	I	83.2	Confident	75.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.5	172.7	-175.1	163.9	0	0	0	109.9	I696 K697 I698 L702 F724 Q728 V823 I824	I687-I696 HydrophobicContact CD1-CG2 4.02Å; I687-I696 HydrophobicContact CG1-CG2 4.06Å; I687-K697 WeakPolarHBondContact CA-O 3.41Å; I687-I698 HydrophobicContact CB-CG2 4.11Å; I687-I698 HydrophobicContact CD1-CG2 3.57Å; I687-I698 HydrophobicContact CG1-CG2 3.67Å; I687-L702 HydrophobicContact CB-CD1 3.93Å; I687-L702 HydrophobicContact CG2-CD1 4.46Å; I687-F724 WeakPolarHBondContact CD1-O 3.25Å; I687-F724 HydrophobicContact CG2-CD1 4.16Å; I687-Q728 HydrophobicContact CD1-CB 3.53Å; I687-Q728 HydrophobicContact CD1-CG 4.05Å; I687-Q728 HydrophobicContact CG1-CB 3.98Å; I687-Q728 HydrophobicContact CG1-CG 3.94Å; I687-V823 PolarHBondContact N-O 3.09Å; I687-I824 HydrophobicContact CG2-CG1 3.86Å
688	S	81.6	Confident	77.1	Confident	16 Å²	16	37.8 Å²	37.8	11%	0.112	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	144.8	176.4	62.4	0	0	0	0	110.1	I696 K697	S688-I696 WeakPolarHBondContact O-CA 3.49Å; S688-K697 PolarHBondContact N-O 3.48Å; S688-K697 PolarHBondContact O-N 3.03Å
689	G	81.1	Confident	78.2	Confident	15 Å²	15	35.5 Å²	35.5	16%	0.155	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	162.7	172.2	0	0	0	0	0	112.1	L695 Q728 E732	G689-L695 CarbonylContact C-O 3.58Å; G689-L695 WeakPolarHBondContact CA-O 3.39Å; G689-Q728 VanDerWaalsContact N-NE2 3.14Å; G689-E732 VanDerWaalsContact C-CD 3.49Å; G689-E732 VanDerWaalsContact C-OE1 3.28Å; G689-E732 WeakPolarHBondContact CA-OE1 3.09Å
690	S	79.6	Confident	79.1	Confident	28 Å²	28	31 Å²	31	20%	0.196	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	109.2	168.1	168.6	0	0	0	0	107.6	E692 N693 K694 L695 E732	S690-E692 VanDerWaalsContact C-N 3.28Å; S690-E692 PolarHBondContact O-N 3.3Å; S690-N693 CarbonylContact O-C 3.54Å; S690-N693 PolarHBondContact O-N 2.86Å; S690-N693 WeakPolarHBondContact OG-CB 3.34Å; S690-N693 PolarHBondContact OG-N 3.11Å; S690-N693 PolarHBondContact OG-ND2 3.47Å; S690-K694 WeakPolarHBondContact O-CA 3.49Å; S690-K694 PolarHBondContact O-N 2.9Å; S690-L695 PolarHBondContact N-O 3.23Å; S690-L695 PolarHBondContact O-N 3.48Å; S690-L695 VanDerWaalsContact O-N 3.13Å; S690-E732 PolarHBondContact N-OE2 3.4Å
691	A	74.7	Confident	79.8	Confident	11 Å²	11	30.7 Å²	30.7	9%	0.091	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-38.9	175	0	0	0	0	0	112.4	F621 N693 K694 E732 N736	F621-A691 HydrophobicContact CZ-CB 4.13Å; A691-N693 PolarHBondContact O-N 2.99Å; A691-K694 WeakPolarHBondContact O-CG 3.33Å; A691-K694 PolarHBondContact O-N 3.41Å; A691-K694 VanDerWaalsContact O-N 3.16Å; A691-E732 PolarHBondContact N-OE2 3.44Å; A691-N736 HydrophobicContact CB-CB 4.18Å
692	E	74.8	Confident	80.5	Confident	173 Å²	173	30.6 Å²	30.6	81%	0.808	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-48.8	175	-172.6	-175.9	-174.9	0	0	111.9	S690 K694	S690-E692 VanDerWaalsContact C-N 3.28Å; S690-E692 PolarHBondContact O-N 3.3Å; E692-K694 VanDerWaalsContact C-N 3.28Å; E692-K694 PolarHBondContact O-N 2.84Å
693	N	81.6	Confident	81.3	Confident	112 Å²	112	31 Å²	31	60%	0.599	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.4	179	-67.4	-60	0	0	0	113.6	S690 A691 L695	S690-N693 CarbonylContact O-C 3.54Å; S690-N693 PolarHBondContact O-N 2.86Å; S690-N693 WeakPolarHBondContact OG-CB 3.34Å; S690-N693 PolarHBondContact OG-N 3.11Å; S690-N693 PolarHBondContact OG-ND2 3.47Å; A691-N693 PolarHBondContact O-N 2.99Å; N693-L695 HydrophobicContact CB-CB 4.12Å; N693-L695 PolarHBondContact O-N 3.08Å
694	K	90.3	Very high	81.7	Confident	102 Å²	102	33.1 Å²	33.1	44%	0.443	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	44	-175	-59.1	165	172.9	-179.6	0	111.5	S620 F621 H622 S690 A691 E692	S620-K694 WeakPolarHBondContact OG-CD 3.36Å; S620-K694 WeakPolarHBondContact OG-CG 3.29Å; F621-K694 CarbonylContact C-O 3.53Å; F621-K694 VanDerWaalsContact CA-O 3.32Å; F621-K694 WeakPolarHBondContact CA-O 3.32Å; H622-K694 PolarHBondContact N-O 3.41Å; S690-K694 WeakPolarHBondContact O-CA 3.49Å; S690-K694 PolarHBondContact O-N 2.9Å; A691-K694 WeakPolarHBondContact O-CG 3.33Å; A691-K694 PolarHBondContact O-N 3.41Å; A691-K694 VanDerWaalsContact O-N 3.16Å; E692-K694 VanDerWaalsContact C-N 3.28Å; E692-K694 PolarHBondContact O-N 2.84Å
695	L	89	Confident	81.8	Confident	45 Å²	45	34 Å²	34	24%	0.236	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127.3	-170.1	-176.7	62.9	0	0	0	111	H622 G689 S690 N693 K697	H622-L695 HydrophobicContact CB-CD1 4.27Å; G689-L695 CarbonylContact C-O 3.58Å; G689-L695 WeakPolarHBondContact CA-O 3.39Å; S690-L695 PolarHBondContact N-O 3.23Å; S690-L695 PolarHBondContact O-N 3.48Å; S690-L695 VanDerWaalsContact O-N 3.13Å; N693-L695 HydrophobicContact CB-CB 4.12Å; N693-L695 PolarHBondContact O-N 3.08Å; L695-K697 HydrophobicContact CD2-CD 4.28Å; L695-K697 HydrophobicContact CD2-CG 4.12Å; L695-K697 HydrophobicContact CG-CG 4.09Å
696	I	90	Very high	81.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.9	166.1	-67.3	172.5	0	0	0	107.8	F589 F621 H622 L623 S624 I687 S688 I698 Q728 L729	F589-I696 HydrophobicContact CE2-CD1 4.09Å; F621-I696 HydrophobicContact CD1-CD1 4.33Å; F621-I696 HydrophobicContact CD1-CG1 4.03Å; H622-I696 PolarHBondContact O-N 2.81Å; L623-I696 CarbonylContact C-O 3.57Å; L623-I696 WeakPolarHBondContact CA-O 2.92Å; L623-I696 HydrophobicContact CD1-CB 4.2Å; L623-I696 HydrophobicContact CD1-CG2 3.76Å; S624-I696 PolarHBondContact N-O 3.18Å; I687-I696 HydrophobicContact CD1-CG2 4.02Å; I687-I696 HydrophobicContact CG1-CG2 4.06Å; S688-I696 WeakPolarHBondContact O-CA 3.49Å; I696-I698 HydrophobicContact CG2-CG2 4.49Å; I696-Q728 HydrophobicContact CD1-CB 4.31Å; I696-Q728 HydrophobicContact CD1-CG 4.1Å; I696-Q728 HydrophobicContact CG1-CG 4.1Å; I696-Q728 HydrophobicContact CG2-CB 4.49Å; I696-Q728 HydrophobicContact CG2-CG 4.1Å; I696-L729 HydrophobicContact CD1-CD2 3.59Å; I696-L729 HydrophobicContact CD1-CG 3.76Å
697	K	86.6	Confident	81.9	Confident	42 Å²	42	34.5 Å²	34.5	18%	0.183	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.1	178.3	-68.5	170.6	171.7	-160.2	0	108.6	S624 I626 E677 I687 S688 L695	S624-K697 WeakPolarHBondContact O-CA 3.43Å; I626-K697 HydrophobicContact CD1-CB 3.85Å; I626-K697 HydrophobicContact CD1-CD 3.69Å; I626-K697 HydrophobicContact CD1-CG 3.95Å; I626-K697 HydrophobicContact CG1-CB 4.33Å; E677-K697 IonicContact OE1-NZ 3.46Å; E677-K697 PolarHBondContact OE1-NZ 3.11Å; I687-K697 WeakPolarHBondContact CA-O 3.41Å; S688-K697 PolarHBondContact N-O 3.48Å; S688-K697 PolarHBondContact O-N 3.03Å; L695-K697 HydrophobicContact CD2-CD 4.28Å; L695-K697 HydrophobicContact CD2-CG 4.12Å; L695-K697 HydrophobicContact CG-CG 4.09Å
698	I	86.9	Confident	82	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144	170.5	61.9	174.3	0	0	0	110.3	V585 L623 S624 I625 I626 Y686 I687 I696 L702 L703	V585-I698 HydrophobicContact CG1-CD1 3.73Å; L623-I698 HydrophobicContact CD1-CD1 4.22Å; L623-I698 HydrophobicContact CD1-CG1 4.03Å; L623-I698 HydrophobicContact CD1-CG2 3.94Å; L623-I698 HydrophobicContact CD2-CD1 4.13Å; S624-I698 PolarHBondContact O-N 2.79Å; I625-I698 CarbonylContact C-O 3.08Å; I625-I698 WeakPolarHBondContact CA-O 3.5Å; I625-I698 HydrophobicContact CB-CG1 4.44Å; I625-I698 HydrophobicContact CG1-CD1 4.02Å; I625-I698 HydrophobicContact CG1-CG1 3.86Å; I626-I698 PolarHBondContact N-O 3.03Å; Y686-I698 WeakPolarHBondContact O-CA 3.22Å; I687-I698 HydrophobicContact CB-CG2 4.11Å; I687-I698 HydrophobicContact CD1-CG2 3.57Å; I687-I698 HydrophobicContact CG1-CG2 3.67Å; I696-I698 HydrophobicContact CG2-CG2 4.49Å; I698-L702 HydrophobicContact CB-CD1 4.35Å; I698-L702 HydrophobicContact CG2-CD1 4.36Å; I698-L703 HydrophobicContact CD1-CD2 3.93Å
699	S	82.1	Confident	82.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	157.2	176	86.9	0	0	0	0	112.3	T682 M684 P685 Y686 G701 L702	T682-S699 WeakPolarHBondContact O-CB 3.44Å; T682-S699 PolarHBondContact O-OG 2.98Å; M684-S699 WeakPolarHBondContact O-CB 3.45Å; M684-S699 PolarHBondContact O-OG 2.94Å; P685-S699 WeakPolarHBondContact CA-OG 3.49Å; Y686-S699 PolarHBondContact N-OG 3.04Å; Y686-S699 PolarHBondContact O-N 2.78Å; S699-G701 PolarHBondContact O-N 3.02Å; S699-G701 PolarHBondContact OG-N 2.92Å; S699-L702 PolarHBondContact O-N 2.62Å
700	A	81.1	Confident	82.3	Confident	3 Å²	3	44.5 Å²	44.5	3%	0.025	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-58.3	-27.6	170.2	0	0	0	0	0	113.2	I577 I626 T682 L702 L703 N704	I577-A700 HydrophobicContact CD1-CB 3.53Å; I577-A700 HydrophobicContact CG1-CB 3.99Å; I626-A700 PolarHBondContact O-N 3.23Å; T682-A700 CarbonylContact O-C 3.56Å; T682-A700 WeakPolarHBondContact O-CA 3.35Å; T682-A700 WeakPolarHBondContact O-CB 3.38Å; T682-A700 PolarHBondContact O-N 3.32Å; A700-L702 VanDerWaalsContact C-N 3.28Å; A700-L702 PolarHBondContact O-N 2.79Å; A700-L703 WeakPolarHBondContact O-CA 3.28Å; A700-L703 WeakPolarHBondContact O-CB 3.01Å; A700-L703 PolarHBondContact O-N 3.02Å; A700-N704 PolarHBondContact O-ND2 3.4Å
701	G	79.3	Confident	82.7	Confident	4 Å²	4	46.4 Å²	46.4	4%	0.041	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-59.4	-36	176.5	0	0	0	0	0	113.4	T682 F683 S699 L703 N704	T682-G701 PolarHBondContact O-N 3.23Å; F683-G701 WeakPolarHBondContact O-CA 3.45Å; S699-G701 PolarHBondContact O-N 3.02Å; S699-G701 PolarHBondContact OG-N 2.92Å; G701-L703 PolarHBondContact O-N 2.81Å; G701-N704 PolarHBondContact O-N 2.95Å
702	L	82.8	Confident	83.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-71.2	-11.1	174.5	-80.6	178.5	0	0	0	113.4	P685 Y686 I687 I698 S699 A700 N704 Y707 I721 F724 V823	P685-L702 HydrophobicContact CB-CD2 3.6Å; P685-L702 HydrophobicContact CB-CG 3.8Å; Y686-L702 VanDerWaalsContact O-CD1 3.25Å; Y686-L702 WeakPolarHBondContact O-CD1 3.18Å; I687-L702 HydrophobicContact CB-CD1 3.93Å; I687-L702 HydrophobicContact CG2-CD1 4.46Å; I698-L702 HydrophobicContact CB-CD1 4.35Å; I698-L702 HydrophobicContact CG2-CD1 4.36Å; S699-L702 PolarHBondContact O-N 2.62Å; A700-L702 VanDerWaalsContact C-N 3.28Å; A700-L702 PolarHBondContact O-N 2.79Å; L702-N704 VanDerWaalsContact C-N 3.32Å; L702-Y707 HydrophobicContact CD2-CD1 3.98Å; L702-Y707 HydrophobicContact CD2-CD2 4.19Å; L702-Y707 HydrophobicContact CD2-CE1 4.32Å; L702-Y707 HydrophobicContact CD2-CG 3.89Å; L702-Y707 VanDerWaalsContact O-CB 3.28Å; L702-Y707 WeakPolarHBondContact O-CB 3.4Å; L702-I721 HydrophobicContact CB-CD1 3.86Å; L702-I721 HydrophobicContact CD1-CD1 4.3Å; L702-I721 HydrophobicContact CG-CD1 4.47Å; L702-F724 HydrophobicContact CD2-CD2 4Å; L702-F724 HydrophobicContact CD2-CE2 3.97Å; L702-F724 HydrophobicContact CD2-CG 4.32Å; L702-F724 HydrophobicContact CD2-CZ 4.28Å; L702-V823 HydrophobicContact CD2-CG1 4.11Å
703	L	86.5	Confident	84.3	Confident	10 Å²	10	42 Å²	42	5%	0.052	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-97.9	19.5	178	-52.3	-169.6	0	0	0	112.6	I577 V585 I625 I698 A700 G701 L708 I721	I577-L703 HydrophobicContact CD1-CD1 3.77Å; I577-L703 HydrophobicContact CG1-CB 4.38Å; I577-L703 HydrophobicContact CG1-CD1 4.18Å; I577-L703 HydrophobicContact CG2-CB 4.35Å; I577-L703 HydrophobicContact CG2-CD1 3.82Å; V585-L703 HydrophobicContact CG1-CD2 4.36Å; V585-L703 HydrophobicContact CG2-CD2 3.82Å; I625-L703 HydrophobicContact CD1-CD1 3.92Å; I625-L703 HydrophobicContact CG1-CD1 4.44Å; I625-L703 HydrophobicContact CG2-CD1 3.79Å; I698-L703 HydrophobicContact CD1-CD2 3.93Å; A700-L703 WeakPolarHBondContact O-CA 3.28Å; A700-L703 WeakPolarHBondContact O-CB 3.01Å; A700-L703 PolarHBondContact O-N 3.02Å; G701-L703 PolarHBondContact O-N 2.81Å; L703-L708 HydrophobicContact CB-CD2 4.3Å; L703-L708 HydrophobicContact CD2-CD2 3.8Å; L703-I721 HydrophobicContact CD2-CG1 4.42Å
704	N	79.3	Confident	84.9	Confident	58 Å²	58	41 Å²	41	31%	0.31	22%	0.223	S	C	.	.	S	Bend	trans	-126	159.7	177.3	-72.5	-78.3	0	0	0	111.1	A700 G701 L702 Y707 L708	A700-N704 PolarHBondContact O-ND2 3.4Å; G701-N704 PolarHBondContact O-N 2.95Å; L702-N704 VanDerWaalsContact C-N 3.32Å; N704-Y707 WeakPolarHBondContact O-CB 3.22Å; N704-Y707 WeakPolarHBondContact O-CD2 3.44Å; N704-Y707 PolarHBondContact O-N 3.31Å; N704-L708 CarbonylContact C-O 3.46Å; N704-L708 WeakPolarHBondContact CA-O 3.06Å; N704-L708 PolarHBondContact O-N 3.43Å
705	P	75.2	Confident	85.1	Confident	76 Å²	76	36.3 Å²	36.3	49%	0.494	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	144.4	175.1	-23.9	33.9	0	0	0	111.5	L708 K709	P705-L708 VanDerWaalsContact CD-O 3.24Å; P705-L708 WeakPolarHBondContact CD-O 3.39Å; P705-K709 HydrophobicContact CG-CB 4.11Å; P705-K709 HydrophobicContact CG-CD 4.4Å; P705-K709 HydrophobicContact CG-CG 4.19Å
706	P	74.7	Confident	85.3	Confident	24 Å²	24	36.5 Å²	36.5	16%	0.156	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82	-8.3	7	33.7	-36.9	0	0	0	114.8	P276 Y712 T817	P276-P706 HydrophobicContact CG-CG 4.35Å; P706-Y712 WeakPolarHBondContact O-CE2 3.31Å; P706-Y712 PolarHBondContact O-OH 3.14Å; P706-T817 HydrophobicContact CB-CG2 4.33Å; P706-T817 HydrophobicContact CG-CG2 4Å
707	Y	79.8	Confident	85.5	Confident	5 Å²	5	37 Å²	37	2%	0.02	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-36.2	-172.1	-48.8	-69.6	0	0	0	114	P685 L702 N704 T720 F724 M814 Y819	P685-Y707 HydrophobicContact CB-CD2 4.16Å; P685-Y707 HydrophobicContact CB-CE2 3.55Å; P685-Y707 HydrophobicContact CG-CE2 3.57Å; P685-Y707 WeakPolarHBondContact CG-OH 3.49Å; L702-Y707 HydrophobicContact CD2-CD1 3.98Å; L702-Y707 HydrophobicContact CD2-CD2 4.19Å; L702-Y707 HydrophobicContact CD2-CE1 4.32Å; L702-Y707 HydrophobicContact CD2-CG 3.89Å; L702-Y707 VanDerWaalsContact O-CB 3.28Å; L702-Y707 WeakPolarHBondContact O-CB 3.4Å; N704-Y707 WeakPolarHBondContact O-CB 3.22Å; N704-Y707 WeakPolarHBondContact O-CD2 3.44Å; N704-Y707 PolarHBondContact O-N 3.31Å; Y707-T720 WeakPolarHBondContact O-CB 3.36Å; Y707-T720 PolarHBondContact O-OG1 3.06Å; Y707-F724 HydrophobicContact CD1-CD2 4.46Å; Y707-F724 AromaticContact CD1-CE2 3.65Å; Y707-F724 HydrophobicContact CD1-CE2 3.65Å; Y707-F724 HydrophobicContact CD1-CZ 4.38Å; Y707-F724 AromaticContact CE1-CE2 3.89Å; Y707-F724 HydrophobicContact CE1-CE2 3.89Å; Y707-F724 HydrophobicContact CE1-CZ 4.17Å; Y707-M814 HydrophobicContact CD1-CG 3.83Å; Y707-M814 HydrophobicContact CD1-SD 3.84Å; Y707-M814 HydrophobicContact CE1-CG 4.13Å; Y707-Y819 WeakPolarHBondContact OH-CB 3.08Å
708	L	85.8	Confident	86	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	20%	0.198	C	C	.	.			trans	-154.9	134.3	179.1	-175.9	59.2	0	0	0	110.9	T581 V585 L703 N704 P705 K717 I721	T581-L708 HydrophobicContact CG2-CD2 3.47Å; T581-L708 VanDerWaalsContact CG2-CD2 3.47Å; T581-L708 HydrophobicContact CG2-CG 4.23Å; V585-L708 HydrophobicContact CG2-CD2 3.61Å; L703-L708 HydrophobicContact CB-CD2 4.3Å; L703-L708 HydrophobicContact CD2-CD2 3.8Å; N704-L708 CarbonylContact C-O 3.46Å; N704-L708 WeakPolarHBondContact CA-O 3.06Å; N704-L708 PolarHBondContact O-N 3.43Å; P705-L708 VanDerWaalsContact CD-O 3.24Å; P705-L708 WeakPolarHBondContact CD-O 3.39Å; L708-K717 HydrophobicContact CD1-CB 4.49Å; L708-K717 HydrophobicContact CD1-CD 4.1Å; L708-K717 HydrophobicContact CD1-CG 3.68Å; L708-I721 HydrophobicContact CD1-CG2 4.04Å; L708-I721 HydrophobicContact CD2-CG2 4.43Å
709	K	85	Confident	86.2	Confident	121 Å²	121	35.3 Å²	35.3	53%	0.526	20%	0.198	S	C	.	.			trans	-133.4	145.4	168.7	-167.2	178.9	176.5	-178.7	0	108.6	P705 G711 Y712 K717	P705-K709 HydrophobicContact CG-CB 4.11Å; P705-K709 HydrophobicContact CG-CD 4.4Å; P705-K709 HydrophobicContact CG-CG 4.19Å; K709-G711 PolarHBondContact O-N 2.99Å; K709-Y712 HydrophobicContact CB-CD1 3.63Å; K709-Y712 HydrophobicContact CB-CD2 4.11Å; K709-Y712 HydrophobicContact CB-CE1 3.62Å; K709-Y712 HydrophobicContact CB-CE2 4.13Å; K709-Y712 HydrophobicContact CB-CG 3.86Å; K709-Y712 HydrophobicContact CD-CD1 4.45Å; K709-Y712 HydrophobicContact CD-CE1 4.18Å; K709-Y712 WeakPolarHBondContact O-CB 3.49Å; K709-Y712 PolarHBondContact O-N 3.33Å; K709-K717 WeakPolarHBondContact O-CE 3.31Å
710	E	83.5	Confident	86.6	Confident	118 Å²	118	35.5 Å²	35.5	55%	0.551	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-43.5	178.7	-174.5	166.6	-159.1	0	0	111.9	Y712 K717	E710-Y712 VanDerWaalsContact C-N 3.29Å; E710-Y712 PolarHBondContact O-N 2.93Å; E710-K717 PolarHBondContact O-NZ 3.26Å
711	G	87.1	Confident	87.1	Confident	68 Å²	68	35.4 Å²	35.4	70%	0.701	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	0.7	179.3	0	0	0	0	0	116.5	K709	K709-G711 PolarHBondContact O-N 2.99Å
712	Y	90.8	Very high	87.8	Confident	50 Å²	50	35.2 Å²	35.2	20%	0.196	20%	0.196	C	C	.	.			trans	-66.3	139.6	172.7	-75.2	-6.8	0	0	0	111	P706 K709 E710 E716 K717	P706-Y712 WeakPolarHBondContact O-CE2 3.31Å; P706-Y712 PolarHBondContact O-OH 3.14Å; K709-Y712 HydrophobicContact CB-CD1 3.63Å; K709-Y712 HydrophobicContact CB-CD2 4.11Å; K709-Y712 HydrophobicContact CB-CE1 3.62Å; K709-Y712 HydrophobicContact CB-CE2 4.13Å; K709-Y712 HydrophobicContact CB-CG 3.86Å; K709-Y712 HydrophobicContact CD-CD1 4.45Å; K709-Y712 HydrophobicContact CD-CE1 4.18Å; K709-Y712 WeakPolarHBondContact O-CB 3.49Å; K709-Y712 PolarHBondContact O-N 3.33Å; E710-Y712 VanDerWaalsContact C-N 3.29Å; E710-Y712 PolarHBondContact O-N 2.93Å; Y712-E716 HydrophobicContact CD2-CB 4.2Å; Y712-E716 HydrophobicContact CG-CB 4.01Å; Y712-K717 WeakPolarHBondContact O-CE 3.49Å; Y712-K717 PolarHBondContact O-NZ 3.41Å
713	S	93.7	Very high	88.3	Confident	42 Å²	42	35.2 Å²	35.2	29%	0.294	20%	0.196	S	C	.	.			trans	-63.5	164.5	166.5	63.4	0	0	0	0	111.2	S715 E716 K717	S713-S715 VanDerWaalsContact C-N 3.27Å; S713-S715 PolarHBondContact O-N 3.36Å; S713-S715 PolarHBondContact OG-OG 2.95Å; S713-E716 VanDerWaalsContact CB-OE2 3.31Å; S713-E716 WeakPolarHBondContact CB-OE2 3.39Å; S713-E716 PolarHBondContact N-OE2 2.86Å; S713-E716 PolarHBondContact O-N 2.83Å; S713-E716 WeakPolarHBondContact OG-CG 3.17Å; S713-E716 PolarHBondContact OG-N 3.18Å; S713-E716 PolarHBondContact OG-OE2 3.29Å; S713-K717 VanDerWaalsContact O-CG 3.32Å; S713-K717 WeakPolarHBondContact O-CG 3.41Å; S713-K717 PolarHBondContact O-N 2.94Å
714	M	93.9	Very high	88.4	Confident	90 Å²	90	34.8 Å²	34.8	44%	0.443	19%	0.194	S	C	.	.	H	α-helix	trans	-64.7	-32.8	177.8	-73.9	-58.9	179.8	0	0	112.6	Q584 K717 Y718 Y795	Q584-M714 HydrophobicContact CG-CE 4.42Å; M714-K717 PolarHBondContact O-N 2.95Å; M714-K717 HydrophobicContact SD-CD 4.11Å; M714-Y718 WeakPolarHBondContact O-CB 3.3Å; M714-Y718 WeakPolarHBondContact O-CD2 3.35Å; M714-Y718 PolarHBondContact O-N 3.48Å; M714-Y795 HydrophobicContact CB-CD2 4.44Å; M714-Y795 HydrophobicContact CB-CE2 4.43Å
715	S	93.8	Very high	89.1	Confident	5 Å²	5	32 Å²	32	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-45.4	174.7	52.9	0	0	0	0	111.9	S713 G719 Y795 G803 L806	S713-S715 VanDerWaalsContact C-N 3.27Å; S713-S715 PolarHBondContact O-N 3.36Å; S713-S715 PolarHBondContact OG-OG 2.95Å; S715-G719 PolarHBondContact O-N 3.34Å; S715-Y795 VanDerWaalsContact CB-CZ 3.48Å; S715-G803 WeakPolarHBondContact CB-O 3.47Å; S715-L806 WeakPolarHBondContact OG-CD2 3.31Å
716	E	93.1	Very high	90	Very high	49 Å²	49	28.4 Å²	28.4	23%	0.229	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-45.8	175	-70.5	165.9	106.9	0	0	111.1	Y712 S713 G719 T720 L806 S810	Y712-E716 HydrophobicContact CD2-CB 4.2Å; Y712-E716 HydrophobicContact CG-CB 4.01Å; S713-E716 VanDerWaalsContact CB-OE2 3.31Å; S713-E716 WeakPolarHBondContact CB-OE2 3.39Å; S713-E716 PolarHBondContact N-OE2 2.86Å; S713-E716 PolarHBondContact O-N 2.83Å; S713-E716 WeakPolarHBondContact OG-CG 3.17Å; S713-E716 PolarHBondContact OG-N 3.18Å; S713-E716 PolarHBondContact OG-OE2 3.29Å; E716-G719 PolarHBondContact O-N 3.12Å; E716-T720 WeakPolarHBondContact O-CB 3.42Å; E716-T720 WeakPolarHBondContact O-CG2 3.01Å; E716-T720 PolarHBondContact O-N 3.26Å; E716-T720 PolarHBondContact O-OG1 2.78Å; E716-L806 HydrophobicContact CG-CD1 4.11Å; E716-L806 HydrophobicContact CG-CD2 3.93Å; E716-L806 HydrophobicContact CG-CG 3.86Å; E716-S810 WeakPolarHBondContact CG-OG 3.33Å
717	K	94.8	Very high	90.8	Very high	10 Å²	10	27.4 Å²	27.4	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-45.9	-179.9	-70.7	174.3	177.3	161.2	0	112.3	M588 L708 K709 E710 Y712 S713 M714 T720 I721 G722	M588-K717 HydrophobicContact CE-CB 3.92Å; M588-K717 HydrophobicContact SD-CB 4.1Å; L708-K717 HydrophobicContact CD1-CB 4.49Å; L708-K717 HydrophobicContact CD1-CD 4.1Å; L708-K717 HydrophobicContact CD1-CG 3.68Å; K709-K717 WeakPolarHBondContact O-CE 3.31Å; E710-K717 PolarHBondContact O-NZ 3.26Å; Y712-K717 WeakPolarHBondContact O-CE 3.49Å; Y712-K717 PolarHBondContact O-NZ 3.41Å; S713-K717 VanDerWaalsContact O-CG 3.32Å; S713-K717 WeakPolarHBondContact O-CG 3.41Å; S713-K717 PolarHBondContact O-N 2.94Å; M714-K717 PolarHBondContact O-N 2.95Å; M714-K717 HydrophobicContact SD-CD 4.11Å; K717-T720 PolarHBondContact O-N 3.28Å; K717-T720 PolarHBondContact O-OG1 3.36Å; K717-I721 WeakPolarHBondContact O-CG2 3.24Å; K717-I721 PolarHBondContact O-N 2.64Å; K717-I721 VanDerWaalsContact O-N 3.14Å; K717-G722 PolarHBondContact O-N 3.14Å
718	Y	95.9	Very high	91.3	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.027	15%	0.148	C	C	.	.	I	π-helix	trans	-69.4	-36.3	175.8	-85.2	-72.4	0	0	0	112.2	M588 Q591 L592 M714 T720 W723 S791 T794 Y795 F807	M588-Y718 HydrophobicContact CB-CE1 4.34Å; M588-Y718 HydrophobicContact CE-CD1 3.83Å; M588-Y718 HydrophobicContact CE-CD2 4.12Å; M588-Y718 HydrophobicContact CE-CE1 3.89Å; M588-Y718 HydrophobicContact CE-CE2 4.2Å; M588-Y718 HydrophobicContact CE-CG 3.93Å; M588-Y718 HydrophobicContact CG-CE1 4.38Å; M588-Y718 HydrophobicContact CG-CE2 4.25Å; Q591-Y718 PolarHBondContact OE1-OH 3.49Å; L592-Y718 HydrophobicContact CD2-CE1 4.27Å; L592-Y718 HydrophobicContact CG-CE1 4.25Å; M714-Y718 WeakPolarHBondContact O-CB 3.3Å; M714-Y718 WeakPolarHBondContact O-CD2 3.35Å; M714-Y718 PolarHBondContact O-N 3.48Å; Y718-T720 PolarHBondContact O-N 3.49Å; Y718-W723 PolarHBondContact O-N 3.36Å; Y718-W723 VanDerWaalsContact O-N 3.14Å; Y718-S791 PolarHBondContact O-OG 2.86Å; Y718-T794 HydrophobicContact CD1-CG2 4.45Å; Y718-T794 HydrophobicContact CE1-CG2 3.55Å; Y718-T794 WeakPolarHBondContact OH-CG2 3.39Å; Y718-Y795 HydrophobicContact CD2-CD2 4.21Å; Y718-F807 WeakPolarHBondContact O-CE2 3.4Å
719	G	92.3	Very high	91.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-66	-22.7	174.6	0	0	0	0	0	113.3	S715 E716 F807 F811	S715-G719 PolarHBondContact O-N 3.34Å; E716-G719 PolarHBondContact O-N 3.12Å; G719-F807 VanDerWaalsContact N-CD2 3.25Å; G719-F807 VanDerWaalsContact N-CE2 3.33Å; G719-F811 WeakPolarHBondContact O-CA 3.48Å; G719-F811 WeakPolarHBondContact O-CB 3.4Å
720	T	90.6	Very high	91.7	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.025	12%	0.122	C	C	.	.	I	π-helix	trans	-108.7	-93.3	-176.5	53.4	0	0	0	0	112.4	Y707 E716 K717 Y718 G722 W723 F724 M814	Y707-T720 WeakPolarHBondContact O-CB 3.36Å; Y707-T720 PolarHBondContact O-OG1 3.06Å; E716-T720 WeakPolarHBondContact O-CB 3.42Å; E716-T720 WeakPolarHBondContact O-CG2 3.01Å; E716-T720 PolarHBondContact O-N 3.26Å; E716-T720 PolarHBondContact O-OG1 2.78Å; K717-T720 PolarHBondContact O-N 3.28Å; K717-T720 PolarHBondContact O-OG1 3.36Å; Y718-T720 PolarHBondContact O-N 3.49Å; T720-G722 VanDerWaalsContact C-N 3.27Å; T720-G722 PolarHBondContact O-N 2.95Å; T720-W723 WeakPolarHBondContact O-CB 3.41Å; T720-W723 PolarHBondContact O-N 3.24Å; T720-W723 VanDerWaalsContact O-N 3.16Å; T720-F724 PolarHBondContact O-N 3.35Å; T720-M814 WeakPolarHBondContact CA-SD 3.49Å; T720-M814 VanDerWaalsContact CB-SD 3.53Å; T720-M814 HydrophobicContact CG2-CB 3.93Å; T720-M814 HydrophobicContact CG2-CG 4.35Å; T720-M814 HydrophobicContact CG2-SD 3.85Å
721	I	90.6	Very high	91.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-63	-32	-178.2	-171.1	58.3	0	0	0	112.9	M588 L702 L703 L708 K717 W723 F724 I725	M588-I721 HydrophobicContact CE-CG2 4Å; M588-I721 HydrophobicContact SD-CG2 4.38Å; L702-I721 HydrophobicContact CB-CD1 3.86Å; L702-I721 HydrophobicContact CD1-CD1 4.3Å; L702-I721 HydrophobicContact CG-CD1 4.47Å; L703-I721 HydrophobicContact CD2-CG1 4.42Å; L708-I721 HydrophobicContact CD1-CG2 4.04Å; L708-I721 HydrophobicContact CD2-CG2 4.43Å; K717-I721 WeakPolarHBondContact O-CG2 3.24Å; K717-I721 PolarHBondContact O-N 2.64Å; K717-I721 VanDerWaalsContact O-N 3.14Å; I721-W723 VanDerWaalsContact C-N 3.29Å; I721-W723 PolarHBondContact O-N 3.47Å; I721-F724 HydrophobicContact CD1-CB 4.34Å; I721-F724 PolarHBondContact O-N 2.86Å; I721-I725 HydrophobicContact CG1-CD1 4.09Å; I721-I725 WeakPolarHBondContact O-CG1 3.33Å; I721-I725 PolarHBondContact O-N 3.44Å; I721-I725 VanDerWaalsContact O-N 3.12Å
722	G	94.7	Very high	91.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-61.4	-38.2	175.9	0	0	0	0	0	112.5	K717 T720 I725 G726	K717-G722 PolarHBondContact O-N 3.14Å; T720-G722 VanDerWaalsContact C-N 3.27Å; T720-G722 PolarHBondContact O-N 2.95Å; G722-I725 PolarHBondContact O-N 3.24Å; G722-G726 PolarHBondContact O-N 2.95Å
723	W	92.6	Very high	91.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.4	-46.6	173.9	172.3	76.2	0	0	0	112.2	Y718 T720 I721 I725 G726 R727 D784 L788 S791 F811 M814 M815 Y835 I842	Y718-W723 PolarHBondContact O-N 3.36Å; Y718-W723 VanDerWaalsContact O-N 3.14Å; T720-W723 WeakPolarHBondContact O-CB 3.41Å; T720-W723 PolarHBondContact O-N 3.24Å; T720-W723 VanDerWaalsContact O-N 3.16Å; I721-W723 VanDerWaalsContact C-N 3.29Å; I721-W723 PolarHBondContact O-N 3.47Å; W723-I725 VanDerWaalsContact C-N 3.3Å; W723-I725 PolarHBondContact O-N 2.99Å; W723-G726 PolarHBondContact O-N 3.45Å; W723-R727 WeakPolarHBondContact O-CB 3.37Å; W723-R727 PolarHBondContact O-N 2.94Å; W723-D784 HydrophobicContact CZ2-CB 4.02Å; W723-D784 VanDerWaalsContact CZ2-OD1 3.28Å; W723-D784 WeakPolarHBondContact CZ2-OD1 3.47Å; W723-D784 PolarHBondContact NE1-O 3.47Å; W723-L788 VanDerWaalsContact CD1-CA 3.46Å; W723-S791 PolarHBondContact N-OG 3.41Å; W723-F811 HydrophobicContact CB-CD2 4.21Å; W723-F811 AromaticContact CD1-CE2 3.72Å; W723-F811 HydrophobicContact CD2-CD2 4.05Å; W723-F811 AromaticContact CD2-CE2 3.54Å; W723-F811 HydrophobicContact CD2-CE2 3.54Å; W723-F811 AromaticContact CE2-CE2 3.48Å; W723-F811 VanDerWaalsContact CE2-CE2 3.48Å; W723-F811 HydrophobicContact CE3-CE2 4.16Å; W723-F811 AromaticContact CG-CD2 3.84Å; W723-F811 HydrophobicContact CG-CD2 3.84Å; W723-F811 AromaticContact CG-CE2 3.67Å; W723-F811 HydrophobicContact CG-CE2 3.67Å; W723-F811 HydrophobicContact CH2-CE2 4.47Å; W723-F811 AromaticContact CZ2-CE2 3.97Å; W723-F811 HydrophobicContact CZ2-CE2 3.97Å; W723-F811 HydrophobicContact CZ2-CZ 4.45Å; W723-F811 AromaticContact NE1-CE2 3.61Å; W723-M814 HydrophobicContact CD2-CE 4.38Å; W723-M814 HydrophobicContact CE3-CE 3.56Å; W723-M814 HydrophobicContact CZ3-CE 4.02Å; W723-M815 HydrophobicContact CE3-SD 4.2Å; W723-M815 HydrophobicContact CH2-CE 3.48Å; W723-M815 VanDerWaalsContact CH2-CE 3.48Å; W723-M815 HydrophobicContact CH2-SD 3.23Å; W723-M815 WeakPolarHBondContact CH2-SD 3.17Å; W723-M815 HydrophobicContact CZ2-CE 3.97Å; W723-M815 HydrophobicContact CZ2-SD 4.04Å; W723-M815 HydrophobicContact CZ3-CE 4.25Å; W723-M815 HydrophobicContact CZ3-SD 3.36Å; W723-M815 WeakPolarHBondContact CZ3-SD 3.44Å; W723-Y835 AromaticContact CH2-CE1 3.96Å; W723-Y835 HydrophobicContact CH2-CE1 3.96Å; W723-Y835 AromaticContact CH2-CZ 3.89Å; W723-Y835 WeakPolarHBondContact CH2-OH 3.48Å; W723-I842 HydrophobicContact CZ2-CD1 4.49Å
724	F	89.3	Confident	90.7	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.009	6%	0.057	C	C	.	.	H	α-helix	trans	-56.9	-45.8	178	-87.1	-70.5	0	0	0	111.9	I687 L702 Y707 T720 I721 Q728 M814 V823	I687-F724 WeakPolarHBondContact CD1-O 3.25Å; I687-F724 HydrophobicContact CG2-CD1 4.16Å; L702-F724 HydrophobicContact CD2-CD2 4Å; L702-F724 HydrophobicContact CD2-CE2 3.97Å; L702-F724 HydrophobicContact CD2-CG 4.32Å; L702-F724 HydrophobicContact CD2-CZ 4.28Å; Y707-F724 HydrophobicContact CD1-CD2 4.46Å; Y707-F724 AromaticContact CD1-CE2 3.65Å; Y707-F724 HydrophobicContact CD1-CE2 3.65Å; Y707-F724 HydrophobicContact CD1-CZ 4.38Å; Y707-F724 AromaticContact CE1-CE2 3.89Å; Y707-F724 HydrophobicContact CE1-CE2 3.89Å; Y707-F724 HydrophobicContact CE1-CZ 4.17Å; T720-F724 PolarHBondContact O-N 3.35Å; I721-F724 HydrophobicContact CD1-CB 4.34Å; I721-F724 PolarHBondContact O-N 2.86Å; F724-Q728 PolarHBondContact O-N 3.28Å; F724-M814 HydrophobicContact CD2-CE 4.08Å; F724-M814 HydrophobicContact CD2-SD 3.94Å; F724-M814 HydrophobicContact CE2-CE 3.71Å; F724-M814 HydrophobicContact CE2-CG 4.46Å; F724-M814 HydrophobicContact CE2-SD 3.5Å; F724-M814 WeakPolarHBondContact CE2-SD 3.29Å; F724-M814 HydrophobicContact CZ-CE 4.49Å; F724-V823 HydrophobicContact CE1-CG1 3.87Å; F724-V823 HydrophobicContact CZ-CG1 4.27Å
725	I	93.4	Very high	89.3	Confident	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-66.4	-46.6	178.9	-64.7	172.1	0	0	0	110.7	V585 F589 L592 L623 I721 G722 W723 R727 Q728 L729	V585-I725 HydrophobicContact CG1-CD1 3.92Å; F589-I725 HydrophobicContact CD2-CG2 3.57Å; F589-I725 HydrophobicContact CE2-CG2 4.31Å; L592-I725 HydrophobicContact CD1-CB 3.81Å; L592-I725 HydrophobicContact CD1-CG2 3.51Å; L623-I725 HydrophobicContact CD2-CD1 4.44Å; I721-I725 HydrophobicContact CG1-CD1 4.09Å; I721-I725 WeakPolarHBondContact O-CG1 3.33Å; I721-I725 PolarHBondContact O-N 3.44Å; I721-I725 VanDerWaalsContact O-N 3.12Å; G722-I725 PolarHBondContact O-N 3.24Å; W723-I725 VanDerWaalsContact C-N 3.3Å; W723-I725 PolarHBondContact O-N 2.99Å; I725-R727 PolarHBondContact O-N 3.31Å; I725-Q728 PolarHBondContact O-N 3.44Å; I725-L729 HydrophobicContact CG2-CD1 4.22Å; I725-L729 PolarHBondContact O-N 3.46Å
726	G	94.2	Very high	87.5	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.9	-44.4	178.7	0	0	0	0	0	112.1	G722 W723 Q728 L729 M730	G722-G726 PolarHBondContact O-N 2.95Å; W723-G726 PolarHBondContact O-N 3.45Å; G726-Q728 PolarHBondContact O-N 3.49Å; G726-L729 PolarHBondContact O-N 3.4Å; G726-M730 WeakPolarHBondContact O-CB 3.37Å; G726-M730 WeakPolarHBondContact O-CG 3.4Å; G726-M730 PolarHBondContact O-N 2.89Å
727	R	91.6	Very high	85.7	Confident	2 Å²	2	15.2 Å²	15.2	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-55.9	-49.2	173.3	178.9	-160.2	175.5	-80.4	-7.7	111.1	W723 I725 M730 Y731 S780 A783 D784	W723-R727 WeakPolarHBondContact O-CB 3.37Å; W723-R727 PolarHBondContact O-N 2.94Å; I725-R727 PolarHBondContact O-N 3.31Å; R727-M730 PolarHBondContact O-N 3.17Å; R727-Y731 WeakPolarHBondContact O-CB 3.39Å; R727-Y731 PolarHBondContact O-N 3.41Å; R727-S780 PolarHBondContact NH2-OG 3.18Å; R727-A783 HydrophobicContact CG-CB 4.03Å; R727-D784 WeakPolarHBondContact CD-OD1 3.46Å; R727-D784 IonicContact CZ-OD1 2.8Å; R727-D784 IonicContact NE-OD1 3.84Å; R727-D784 PolarHBondContact NE-OD1 3.14Å
728	Q	90	Very high	83.6	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.6	-42.2	-178.8	-165	65.4	33.6	0	0	111.8	I687 G689 I696 F724 I725 G726 M730 Y731 E732	I687-Q728 HydrophobicContact CD1-CB 3.53Å; I687-Q728 HydrophobicContact CD1-CG 4.05Å; I687-Q728 HydrophobicContact CG1-CB 3.98Å; I687-Q728 HydrophobicContact CG1-CG 3.94Å; G689-Q728 VanDerWaalsContact N-NE2 3.14Å; I696-Q728 HydrophobicContact CD1-CB 4.31Å; I696-Q728 HydrophobicContact CD1-CG 4.1Å; I696-Q728 HydrophobicContact CG1-CG 4.1Å; I696-Q728 HydrophobicContact CG2-CB 4.49Å; I696-Q728 HydrophobicContact CG2-CG 4.1Å; F724-Q728 PolarHBondContact O-N 3.28Å; I725-Q728 PolarHBondContact O-N 3.44Å; G726-Q728 PolarHBondContact O-N 3.49Å; Q728-M730 VanDerWaalsContact C-N 3.33Å; Q728-M730 PolarHBondContact O-N 2.99Å; Q728-Y731 PolarHBondContact O-N 2.86Å; Q728-E732 HydrophobicContact CG-CG 4.37Å; Q728-E732 PolarHBondContact NE2-OE1 3.33Å; Q728-E732 WeakPolarHBondContact O-CG 3.31Å; Q728-E732 PolarHBondContact O-N 3.46Å
729	L	91.3	Very high	81.2	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56.9	-47.8	173.9	-80.1	168.2	0	0	0	111.4	F589 L592 K593 L596 F621 I696 I725 G726 Y731 E732 V733	F589-L729 HydrophobicContact CD2-CD1 4.27Å; F589-L729 HydrophobicContact CE2-CD1 4.07Å; F589-L729 HydrophobicContact CE2-CD2 3.9Å; F589-L729 HydrophobicContact CE2-CG 4.14Å; F589-L729 HydrophobicContact CZ-CD2 4.39Å; L592-L729 HydrophobicContact CB-CD1 3.99Å; K593-L729 HydrophobicContact CG-CD1 4.2Å; K593-L729 HydrophobicContact CG-CD2 4.26Å; L596-L729 HydrophobicContact CD2-CB 4.19Å; F621-L729 HydrophobicContact CB-CD2 4.21Å; F621-L729 HydrophobicContact CD2-CD2 4.31Å; F621-L729 HydrophobicContact CG-CD2 4.38Å; I696-L729 HydrophobicContact CD1-CD2 3.59Å; I696-L729 HydrophobicContact CD1-CG 3.76Å; I725-L729 HydrophobicContact CG2-CD1 4.22Å; I725-L729 PolarHBondContact O-N 3.46Å; G726-L729 PolarHBondContact O-N 3.4Å; L729-Y731 VanDerWaalsContact C-N 3.33Å; L729-Y731 PolarHBondContact O-N 3.07Å; L729-E732 PolarHBondContact O-N 2.92Å; L729-V733 WeakPolarHBondContact O-CB 3.36Å; L729-V733 VanDerWaalsContact O-CG2 3.3Å; L729-V733 WeakPolarHBondContact O-CG2 3.32Å; L729-V733 PolarHBondContact O-N 2.93Å
730	M	89	Confident	78.8	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-40.6	177.7	-73	-50.3	-51.6	0	0	112.3	L596 G726 R727 Q728 N734 N786 L790 L869 W870	L596-M730 HydrophobicContact CD1-SD 3.52Å; L596-M730 VanDerWaalsContact CD1-SD 3.52Å; L596-M730 HydrophobicContact CD2-SD 4.42Å; G726-M730 WeakPolarHBondContact O-CB 3.37Å; G726-M730 WeakPolarHBondContact O-CG 3.4Å; G726-M730 PolarHBondContact O-N 2.89Å; R727-M730 PolarHBondContact O-N 3.17Å; Q728-M730 VanDerWaalsContact C-N 3.33Å; Q728-M730 PolarHBondContact O-N 2.99Å; M730-N734 VanDerWaalsContact CE-ND2 3.3Å; M730-N734 WeakPolarHBondContact CE-ND2 3.4Å; M730-N734 VanDerWaalsContact O-CB 3.3Å; M730-N734 WeakPolarHBondContact O-CB 3.36Å; M730-N734 PolarHBondContact O-N 3.22Å; M730-N734 VanDerWaalsContact O-N 3.08Å; M730-N786 HydrophobicContact CB-CB 4.24Å; M730-N786 HydrophobicContact CE-CB 3.79Å; M730-N786 HydrophobicContact CG-CB 3.83Å; M730-N786 HydrophobicContact SD-CB 4.36Å; M730-L790 HydrophobicContact CG-CD2 4.2Å; M730-L790 HydrophobicContact SD-CD2 4.21Å; M730-L869 HydrophobicContact CE-CD2 3.7Å; M730-W870 HydrophobicContact CE-CH2 4.08Å; M730-W870 HydrophobicContact CE-CZ2 3.4Å; M730-W870 VanDerWaalsContact CE-CZ2 3.4Å; M730-W870 HydrophobicContact SD-CH2 3.69Å; M730-W870 HydrophobicContact SD-CZ2 3.6Å; M730-W870 VanDerWaalsContact SD-CZ2 3.6Å
731	Y	86.8	Confident	76.3	Confident	24 Å²	24	37.3 Å²	37.3	9%	0.094	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-48.3	177.4	-175.6	-91	0	0	0	112	R727 Q728 L729 N735 A783 T826 L828	R727-Y731 WeakPolarHBondContact O-CB 3.39Å; R727-Y731 PolarHBondContact O-N 3.41Å; Q728-Y731 PolarHBondContact O-N 2.86Å; L729-Y731 VanDerWaalsContact C-N 3.33Å; L729-Y731 PolarHBondContact O-N 3.07Å; Y731-N735 WeakPolarHBondContact CD2-ND2 3.47Å; Y731-N735 WeakPolarHBondContact CE2-ND2 3.36Å; Y731-N735 VanDerWaalsContact O-CB 3.32Å; Y731-N735 WeakPolarHBondContact O-CB 3.46Å; Y731-N735 PolarHBondContact O-N 3.42Å; Y731-N735 PolarHBondContact O-ND2 2.84Å; Y731-A783 HydrophobicContact CD2-CB 3.97Å; Y731-A783 HydrophobicContact CG-CB 4.4Å; Y731-T826 HydrophobicContact CD1-CG2 4.07Å; Y731-T826 HydrophobicContact CE1-CG2 3.65Å; Y731-T826 HydrophobicContact CE2-CG2 4.27Å; Y731-L828 WeakPolarHBondContact OH-CD1 3.19Å
732	E	85.5	Confident	73.9	Confident	19 Å²	19	46.3 Å²	46.3	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-70.4	-37	-177.7	-62.8	-60.6	139.4	0	0	112.7	F621 G689 S690 A691 Q728 L729	F621-E732 HydrophobicContact CE1-CB 4.01Å; F621-E732 HydrophobicContact CE1-CG 4.13Å; F621-E732 HydrophobicContact CE2-CB 3.99Å; F621-E732 HydrophobicContact CZ-CB 3.43Å; F621-E732 VanDerWaalsContact CZ-CB 3.43Å; F621-E732 HydrophobicContact CZ-CG 4.06Å; G689-E732 VanDerWaalsContact C-CD 3.49Å; G689-E732 VanDerWaalsContact C-OE1 3.28Å; G689-E732 WeakPolarHBondContact CA-OE1 3.09Å; S690-E732 PolarHBondContact N-OE2 3.4Å; A691-E732 PolarHBondContact N-OE2 3.44Å; Q728-E732 HydrophobicContact CG-CG 4.37Å; Q728-E732 PolarHBondContact NE2-OE1 3.33Å; Q728-E732 WeakPolarHBondContact O-CG 3.31Å; Q728-E732 PolarHBondContact O-N 3.46Å; L729-E732 PolarHBondContact O-N 2.92Å
733	V	84.8	Confident	71.1	Confident	11 Å²	11	48.9 Å²	48.9	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-72.5	-41.7	-179.2	171.5	0	0	0	0	111.4	L596 A618 F621 L729	L596-V733 HydrophobicContact CD2-CG2 4.28Å; A618-V733 HydrophobicContact CB-CG2 4.01Å; F621-V733 HydrophobicContact CE2-CG2 4.13Å; L729-V733 WeakPolarHBondContact O-CB 3.36Å; L729-V733 VanDerWaalsContact O-CG2 3.3Å; L729-V733 WeakPolarHBondContact O-CG2 3.32Å; L729-V733 PolarHBondContact O-N 2.93Å
734	N	76	Confident	68.5	Low	24 Å²	24	55.4 Å²	55.4	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-81.9	-26.2	-174.3	-68.3	-2.7	0	0	0	113.8	M730 L869	M730-N734 VanDerWaalsContact CE-ND2 3.3Å; M730-N734 WeakPolarHBondContact CE-ND2 3.4Å; M730-N734 VanDerWaalsContact O-CB 3.3Å; M730-N734 WeakPolarHBondContact O-CB 3.36Å; M730-N734 PolarHBondContact O-N 3.22Å; M730-N734 VanDerWaalsContact O-N 3.08Å; N734-L869 WeakPolarHBondContact ND2-CD2 3.37Å
735	N	65.6	Low	66.4	Low	32 Å²	32	59.9 Å²	59.9	17%	0.171	32%	0.321	C	S	.	.	H	α-helix	trans	-96.5	-6.2	-174.2	-65.3	-50.5	0	0	0	114.7	Y731 K737 E738 R779	Y731-N735 WeakPolarHBondContact CD2-ND2 3.47Å; Y731-N735 WeakPolarHBondContact CE2-ND2 3.36Å; Y731-N735 VanDerWaalsContact O-CB 3.32Å; Y731-N735 WeakPolarHBondContact O-CB 3.46Å; Y731-N735 PolarHBondContact O-N 3.42Å; Y731-N735 PolarHBondContact O-ND2 2.84Å; N735-K737 PolarHBondContact O-N 2.89Å; N735-E738 PolarHBondContact O-N 3.23Å; N735-R779 VanDerWaalsContact OD1-CD 3.31Å; N735-R779 WeakPolarHBondContact OD1-CD 3.4Å
736	N	55.5	Low	64.2	Low	84 Å²	84	67.6 Å²	67.6	45%	0.449	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.2	-174.8	-160.8	21.9	0	0	0	114.2	L617 A691	L617-N736 HydrophobicContact CD2-CB 4.12Å; A691-N736 HydrophobicContact CB-CB 4.18Å
737	K	54.6	Low	62.1	Low	99 Å²	99	72 Å²	72	43%	0.43	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.2	-178.5	-70.7	-169.7	174.2	-176.2	0	114.4	E610 E613 N735	E610-K737 IonicContact OE1-NZ 3.03Å; E610-K737 PolarHBondContact OE1-NZ 3.44Å; E613-K737 IonicContact OE2-NZ 3.86Å; N735-K737 PolarHBondContact O-N 2.89Å
738	E	51.3	Low	60.2	Low	31 Å²	31	73.3 Å²	73.3	15%	0.145	40%	0.397	C	S	.	.			trans	-117.6	3	-160.1	-78.1	-171.1	-157.1	0	0	117	N735 D740 N741 E758 K775 R779	N735-E738 PolarHBondContact O-N 3.23Å; E738-D740 PolarHBondContact O-N 3.28Å; E738-N741 PolarHBondContact O-N 3.18Å; E738-E758 VanDerWaalsContact OE1-CG 3.27Å; E738-E758 WeakPolarHBondContact OE1-CG 3.21Å; E738-K775 IonicContact OE1-NZ 3.07Å; E738-K775 IonicContact OE2-NZ 2.82Å; E738-K775 PolarHBondContact OE2-NZ 2.94Å; E738-R779 IonicContact OE2-CZ 3.55Å; E738-R779 IonicContact OE2-NE 3.71Å; E738-R779 IonicContact OE2-NH2 2.69Å; E738-R779 PolarHBondContact OE2-NH2 2.9Å
739	E	45.9	Very low	58.7	Low	164 Å²	164	76 Å²	76	77%	0.766	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.2	170.6	-80.5	-170.7	164.6	0	0	112.4	N741	E739-N741 PolarHBondContact O-N 3.43Å
740	D	41.3	Very low	56.8	Low	161 Å²	161	84.3 Å²	84.3	86%	0.861	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.6	-179.8	-81	-21.6	0	0	0	115.1	E738	E738-D740 PolarHBondContact O-N 3.28Å
741	N	39.3	Very low	55.1	Low	130 Å²	130	86.3 Å²	86.3	70%	0.695	47%	0.47	S	S	*	.			trans	-115	73.2	-171.4	-133.7	-0.3	0	0	0	112.9	E738 E739 G743	E738-N741 PolarHBondContact O-N 3.18Å; E739-N741 PolarHBondContact O-N 3.43Å; N741-G743 PolarHBondContact O-N 3.38Å
742	H	39.2	Very low	53.7	Low	188 Å²	188	95.2 Å²	95.2	87%	0.87	51%	0.513	S	S	*	.			trans	-68.3	18.3	167.6	-74.9	-66.1	0	0	0	114
743	G	36.1	Very low	52.2	Low	54 Å²	54	102.8 Å²	102.8	56%	0.557	55%	0.548	S	S	*	.			trans	-69.7	144.9	177.9	0	0	0	0	0	113.1	N741 S745	N741-G743 PolarHBondContact O-N 3.38Å; G743-S745 PolarHBondContact O-N 2.02Å
744	N	37.6	Very low	50.7	Low	138 Å²	138	103.5 Å²	103.5	74%	0.738	56%	0.555	S	S	*	*			trans	-67.1	97	-167.9	-163.6	9.7	0	0	0	114.8	Q746	N744-Q746 PolarHBondContact O-N 2.98Å
745	S	45.8	Very low	50.2	Low	95 Å²	95	104.6 Å²	104.6	66%	0.664	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	34.7	-20.7	143.9	72.6	0	0	0	0	125.5	G743	G743-S745 PolarHBondContact O-N 2.02Å
746	Q	47.2	Very low	50.1	Low	162 Å²	162	105.9 Å²	105.9	76%	0.757	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	-18.4	-174.9	-137.6	168.7	3.1	0	0	114.4	N744	N744-Q746 PolarHBondContact O-N 2.98Å
747	S	49.1	Very low	50.7	Low	93 Å²	93	102.5 Å²	102.5	65%	0.65	55%	0.552	S	S	*	*	S	Bend	trans	-76.1	-28.4	-179	59.1	0	0	0	0	113.9	M750	S747-M750 PolarHBondContact O-N 3.09Å
748	S	52.9	Low	51.7	Low	30 Å²	30	98.8 Å²	98.8	21%	0.21	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-69.1	-39.3	-176.1	141.2	0	0	0	0	112.2	M750 S751 A754 E758	S748-M750 PolarHBondContact O-N 3.26Å; S748-S751 PolarHBondContact O-N 2.67Å; S748-S751 PolarHBondContact O-OG 2.84Å; S748-A754 WeakPolarHBondContact O-CB 3.34Å; S748-E758 PolarHBondContact OG-OE1 3.41Å; S748-E758 PolarHBondContact OG-OE2 3.34Å
749	C	58.3	Low	52.9	Low	55 Å²	55	99.5 Å²	99.5	37%	0.372	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-60	-17	-179.7	-72.7	0	0	0	0	115.3	C762	C749-C762 WeakPolarHBondContact CA-SG 3.42Å; C749-C762 HydrophobicContact CB-CB 3.67Å; C749-C762 WeakPolarHBondContact CB-SG 3.49Å; C749-C762 WeakPolarHBondContact SG-CB 3.37Å; C749-C762 CovalentContact SG-SG 2.03Å; C749-C762 PolarHBondContact SG-SG 3.33Å
750	M	50.4	Low	54.8	Low	176 Å²	176	91.9 Å²	91.9	87%	0.867	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-111.7	3.9	178.4	-59.9	-172.9	71.5	0	0	113	S747 S748	S747-M750 PolarHBondContact O-N 3.09Å; S748-M750 PolarHBondContact O-N 3.26Å
751	S	53.9	Low	56.8	Low	42 Å²	42	84.5 Å²	84.5	29%	0.294	47%	0.473	S	S	.	.			trans	-86	138.5	-178.7	76.7	0	0	0	0	110.8	S748 E753 A754	S748-S751 PolarHBondContact O-N 2.67Å; S748-S751 PolarHBondContact O-OG 2.84Å; S751-E753 PolarHBondContact O-N 2.64Å; S751-E753 VanDerWaalsContact O-N 3.15Å; S751-A754 WeakPolarHBondContact O-CB 3.17Å; S751-A754 PolarHBondContact O-N 2.84Å; S751-A754 PolarHBondContact OG-N 2.96Å; S751-A754 VanDerWaalsContact OG-N 3.14Å
752	E	56.8	Low	59	Low	211 Å²	211	78.7 Å²	78.7	99%	0.986	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.5	168.4	-71.4	-178.8	166.5	0	0	112.3
753	E	54.7	Low	61.3	Low	179 Å²	179	71.6 Å²	71.6	84%	0.836	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.2	178.9	-62	176.2	172.8	0	0	113.1	S751 T755	S751-E753 PolarHBondContact O-N 2.64Å; S751-E753 VanDerWaalsContact O-N 3.15Å; E753-T755 PolarHBondContact O-N 3.42Å
754	A	53.6	Low	63.8	Low	25 Å²	25	69 Å²	69	21%	0.207	39%	0.387	C	S	.	.			trans	-63.2	130.4	-179.1	0	0	0	0	0	110.5	S748 S751 E758	S748-A754 WeakPolarHBondContact O-CB 3.34Å; S751-A754 WeakPolarHBondContact O-CB 3.17Å; S751-A754 PolarHBondContact O-N 2.84Å; S751-A754 PolarHBondContact OG-N 2.96Å; S751-A754 VanDerWaalsContact OG-N 3.14Å; A754-E758 WeakPolarHBondContact CA-OE2 3.32Å; A754-E758 HydrophobicContact CB-CB 4.17Å
755	T	64.5	Low	66.2	Low	48 Å²	48	65.2 Å²	65.2	29%	0.294	37%	0.365	S	S	.	.			trans	-67.9	154.9	172.3	72.9	0	0	0	0	109.8	E753 S757 E758 A759	E753-T755 PolarHBondContact O-N 3.42Å; T755-S757 PolarHBondContact O-N 3.03Å; T755-S757 VanDerWaalsContact O-N 3.1Å; T755-E758 CarbonylContact O-C 3.51Å; T755-E758 VanDerWaalsContact O-CA 3.3Å; T755-E758 WeakPolarHBondContact O-CA 3.5Å; T755-E758 VanDerWaalsContact O-CB 3.29Å; T755-E758 WeakPolarHBondContact O-CB 3.41Å; T755-E758 PolarHBondContact O-N 2.88Å; T755-E758 PolarHBondContact OG1-N 3.28Å; T755-A759 PolarHBondContact O-N 3.18Å
756	D	65	Low	68.1	Low	59 Å²	59	68.4 Å²	68.4	32%	0.316	37%	0.369	S	S	.	.	H	α-helix	trans	-61.5	-22.9	177.6	-83.2	20.4	0	0	0	113.1	W605 A759 Q760	W605-D756 WeakPolarHBondContact CB-OD2 3.16Å; W605-D756 HydrophobicContact CD2-CB 3.56Å; W605-D756 HydrophobicContact CE3-CB 3.83Å; W605-D756 HydrophobicContact CG-CB 3.94Å; W605-D756 VanDerWaalsContact CG-CG 3.41Å; W605-D756 HydrophobicContact CH2-CB 4.25Å; W605-D756 HydrophobicContact CZ2-CB 4.01Å; W605-D756 HydrophobicContact CZ3-CB 4.16Å; W605-D756 PolarHBondContact NE1-OD2 3.18Å; D756-A759 PolarHBondContact O-N 3.41Å; D756-Q760 PolarHBondContact O-N 2.93Å
757	S	68.4	Low	70	Confident	12 Å²	12	62.1 Å²	62.1	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-41.1	168.7	-66.4	0	0	0	0	111.4	T755 I761	T755-S757 PolarHBondContact O-N 3.03Å; T755-S757 VanDerWaalsContact O-N 3.1Å; S757-I761 WeakPolarHBondContact O-CD1 3.46Å; S757-I761 VanDerWaalsContact O-CG1 3.23Å; S757-I761 WeakPolarHBondContact O-CG1 3.42Å; S757-I761 PolarHBondContact O-N 2.68Å
758	E	73.6	Confident	71.6	Confident	21 Å²	21	64.8 Å²	64.8	10%	0.098	35%	0.347	C	S	.	.	H	α-helix	trans	-66.4	-42.3	170.9	-62.2	-168.1	127.7	0	0	111.1	E738 S748 A754 T755 Q760 I761 C762 K775	E738-E758 VanDerWaalsContact OE1-CG 3.27Å; E738-E758 WeakPolarHBondContact OE1-CG 3.21Å; S748-E758 PolarHBondContact OG-OE1 3.41Å; S748-E758 PolarHBondContact OG-OE2 3.34Å; A754-E758 WeakPolarHBondContact CA-OE2 3.32Å; A754-E758 HydrophobicContact CB-CB 4.17Å; T755-E758 CarbonylContact O-C 3.51Å; T755-E758 VanDerWaalsContact O-CA 3.3Å; T755-E758 WeakPolarHBondContact O-CA 3.5Å; T755-E758 VanDerWaalsContact O-CB 3.29Å; T755-E758 WeakPolarHBondContact O-CB 3.41Å; T755-E758 PolarHBondContact O-N 2.88Å; T755-E758 PolarHBondContact OG1-N 3.28Å; E758-Q760 VanDerWaalsContact C-N 3.31Å; E758-Q760 PolarHBondContact O-N 3.16Å; E758-I761 CarbonylContact O-C 3.58Å; E758-I761 WeakPolarHBondContact O-CB 3.39Å; E758-I761 PolarHBondContact O-N 3.45Å; E758-I761 VanDerWaalsContact O-N 3.08Å; E758-C762 WeakPolarHBondContact O-CB 3.36Å; E758-C762 PolarHBondContact O-N 3.36Å; E758-C762 PolarHBondContact O-SG 3.3Å; E758-K775 IonicContact OE1-NZ 2.8Å; E758-K775 PolarHBondContact OE1-NZ 3.25Å
759	A	77.7	Confident	72.7	Confident	47 Å²	47	66.3 Å²	66.3	39%	0.388	36%	0.357	S	S	.	.	H	α-helix	trans	-58.2	-41.7	176	0	0	0	0	0	112.2	T755 D756 C762 C763	T755-A759 PolarHBondContact O-N 3.18Å; D756-A759 PolarHBondContact O-N 3.41Å; A759-C762 PolarHBondContact O-N 2.05Å; A759-C763 WeakPolarHBondContact O-CB 3.04Å; A759-C763 PolarHBondContact O-N 2.91Å
760	Q	84.9	Confident	73.9	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.019	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-45.1	173.7	-169.1	-173.3	32.3	0	0	111.4	D756 E758 C762 C763 L764 S782 N786 C867 L869	D756-Q760 PolarHBondContact O-N 2.93Å; E758-Q760 VanDerWaalsContact C-N 3.31Å; E758-Q760 PolarHBondContact O-N 3.16Å; Q760-C762 VanDerWaalsContact C-N 3.28Å; Q760-C762 PolarHBondContact O-N 3.3Å; Q760-C763 PolarHBondContact O-N 3.34Å; Q760-L764 HydrophobicContact CG-CD1 4.44Å; Q760-L764 VanDerWaalsContact O-CG 3.31Å; Q760-L764 WeakPolarHBondContact O-CG 3.44Å; Q760-L764 PolarHBondContact O-N 2.85Å; Q760-S782 PolarHBondContact OE1-OG 3.42Å; Q760-N786 PolarHBondContact NE2-ND2 3.34Å; Q760-N786 PolarHBondContact NE2-OD1 3.44Å; Q760-N786 PolarHBondContact OE1-ND2 2.92Å; Q760-C867 HydrophobicContact CG-CB 4.18Å; Q760-C867 PolarHBondContact NE2-O 3.17Å; Q760-L869 HydrophobicContact CB-CD1 4.19Å
761	I	84.6	Confident	75.3	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-41.4	176.9	-70.3	163.5	0	0	0	110.6	S757 E758 L764 Q765 K775 L778 R779	S757-I761 WeakPolarHBondContact O-CD1 3.46Å; S757-I761 VanDerWaalsContact O-CG1 3.23Å; S757-I761 WeakPolarHBondContact O-CG1 3.42Å; S757-I761 PolarHBondContact O-N 2.68Å; E758-I761 CarbonylContact O-C 3.58Å; E758-I761 WeakPolarHBondContact O-CB 3.39Å; E758-I761 PolarHBondContact O-N 3.45Å; E758-I761 VanDerWaalsContact O-N 3.08Å; I761-L764 WeakPolarHBondContact O-CB 3.23Å; I761-L764 PolarHBondContact O-N 3.41Å; I761-Q765 WeakPolarHBondContact O-CB 3.49Å; I761-Q765 PolarHBondContact O-N 2.99Å; I761-K775 HydrophobicContact CG2-CG 4.13Å; I761-L778 HydrophobicContact CG2-CB 3.97Å; I761-L778 HydrophobicContact CG2-CD1 3.98Å; I761-R779 HydrophobicContact CD1-CG 3.53Å; I761-R779 HydrophobicContact CG1-CG 4.38Å
762	C	84.5	Confident	76.5	Confident	9 Å²	9	67.5 Å²	67.5	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-69.3	-43.3	178.8	-59.8	0	0	0	0	111.5	C749 E758 A759 Q760 L764 Q765 E766	C749-C762 WeakPolarHBondContact CA-SG 3.42Å; C749-C762 HydrophobicContact CB-CB 3.67Å; C749-C762 WeakPolarHBondContact CB-SG 3.49Å; C749-C762 WeakPolarHBondContact SG-CB 3.37Å; C749-C762 CovalentContact SG-SG 2.03Å; C749-C762 PolarHBondContact SG-SG 3.33Å; E758-C762 WeakPolarHBondContact O-CB 3.36Å; E758-C762 PolarHBondContact O-N 3.36Å; E758-C762 PolarHBondContact O-SG 3.3Å; A759-C762 PolarHBondContact O-N 2.05Å; Q760-C762 VanDerWaalsContact C-N 3.28Å; Q760-C762 PolarHBondContact O-N 3.3Å; C762-L764 VanDerWaalsContact C-N 3.26Å; C762-L764 PolarHBondContact O-N 3.37Å; C762-Q765 WeakPolarHBondContact O-CB 2.97Å; C762-Q765 PolarHBondContact O-N 2.03Å; C762-Q765 VanDerWaalsContact O-N 3.11Å; C762-E766 WeakPolarHBondContact O-CG 3.48Å; C762-E766 PolarHBondContact O-N 2.98Å
763	C	88	Confident	77.5	Confident	38 Å²	38	60 Å²	60	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-55.2	-43.9	170.6	175.5	0	0	0	0	111.3	A759 Q760 E766 Q767 C867	A759-C763 WeakPolarHBondContact O-CB 3.04Å; A759-C763 PolarHBondContact O-N 2.91Å; Q760-C763 PolarHBondContact O-N 3.34Å; C763-E766 PolarHBondContact O-N 2.81Å; C763-Q767 WeakPolarHBondContact O-CG 3.49Å; C763-C867 HydrophobicContact CB-CB 3.71Å; C763-C867 WeakPolarHBondContact CB-SG 3.18Å; C763-C867 PolarHBondContact O-SG 3.4Å; C763-C867 WeakPolarHBondContact SG-CA 3.44Å; C763-C867 WeakPolarHBondContact SG-CB 2.85Å; C763-C867 CovalentContact SG-SG 2.05Å; C763-C867 PolarHBondContact SG-SG 3.01Å
764	L	88.8	Confident	78.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-46	176.4	-69.8	169.5	0	0	0	110.5	Q760 I761 C762 E766 Q767 F770 L778 L781 I785 C867	Q760-L764 HydrophobicContact CG-CD1 4.44Å; Q760-L764 VanDerWaalsContact O-CG 3.31Å; Q760-L764 WeakPolarHBondContact O-CG 3.44Å; Q760-L764 PolarHBondContact O-N 2.85Å; I761-L764 WeakPolarHBondContact O-CB 3.23Å; I761-L764 PolarHBondContact O-N 3.41Å; C762-L764 VanDerWaalsContact C-N 3.26Å; C762-L764 PolarHBondContact O-N 3.37Å; L764-E766 VanDerWaalsContact C-N 3.25Å; L764-E766 PolarHBondContact O-N 2.78Å; L764-Q767 WeakPolarHBondContact O-CB 3.4Å; L764-Q767 PolarHBondContact O-N 3.08Å; L764-F770 HydrophobicContact CB-CD2 4.35Å; L764-F770 HydrophobicContact CD2-CD2 4.22Å; L764-F770 HydrophobicContact CD2-CE2 4.04Å; L764-F770 WeakPolarHBondContact O-CB 3.47Å; L764-F770 WeakPolarHBondContact O-CD2 3.23Å; L764-L778 HydrophobicContact CB-CD2 4.14Å; L764-L781 HydrophobicContact CD1-CB 4.49Å; L764-L781 HydrophobicContact CD1-CD2 4.21Å; L764-L781 HydrophobicContact CD1-CG 4.21Å; L764-L781 HydrophobicContact CD2-CD2 3.93Å; L764-L781 HydrophobicContact CD2-CG 4.45Å; L764-I785 HydrophobicContact CD1-CD1 4.33Å; L764-I785 HydrophobicContact CD2-CD1 3.88Å; L764-C867 HydrophobicContact CD2-CB 3.74Å; L764-C867 HydrophobicContact CG-CB 3.86Å; L764-C867 PolarHBondContact N-SG 2.85Å; L764-C867 VanDerWaalsContact N-SG 3.36Å
765	Q	87.3	Confident	79.6	Confident	59 Å²	59	57 Å²	57	28%	0.276	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-29.5	179.3	-168.2	122.2	32.1	0	0	113.5	I761 C762 Q767 K771 Y773 L778	I761-Q765 WeakPolarHBondContact O-CB 3.49Å; I761-Q765 PolarHBondContact O-N 2.99Å; C762-Q765 WeakPolarHBondContact O-CB 2.97Å; C762-Q765 PolarHBondContact O-N 2.03Å; C762-Q765 VanDerWaalsContact O-N 3.11Å; Q765-Q767 VanDerWaalsContact C-N 3.26Å; Q765-Q767 PolarHBondContact O-N 3.46Å; Q765-K771 PolarHBondContact NE2-O 3.34Å; Q765-K771 WeakPolarHBondContact O-CA 3.09Å; Q765-Y773 PolarHBondContact NE2-O 3.32Å; Q765-Y773 VanDerWaalsContact NE2-O 3.16Å; Q765-L778 HydrophobicContact CB-CD1 3.79Å; Q765-L778 HydrophobicContact CG-CD1 4.15Å
766	E	86.6	Confident	80.1	Confident	162 Å²	162	57 Å²	57	76%	0.757	30%	0.3	S	S	*	.	H	α-helix	trans	-73.3	-16.5	175.1	-74.1	-177.1	172.4	0	0	113.3	C762 C763 L764	C762-E766 WeakPolarHBondContact O-CG 3.48Å; C762-E766 PolarHBondContact O-N 2.98Å; C763-E766 PolarHBondContact O-N 2.81Å; L764-E766 VanDerWaalsContact C-N 3.25Å; L764-E766 PolarHBondContact O-N 2.78Å
767	Q	85.5	Confident	80.8	Confident	29 Å²	29	54.9 Å²	54.9	14%	0.136	29%	0.288	C	S	.	.	S	Bend	trans	-76	134.6	175.4	-52.9	-158.3	-15.8	0	0	110.9	C763 L764 Q765 S769 F770 K771 K844 H845 N865 C867	C763-Q767 WeakPolarHBondContact O-CG 3.49Å; L764-Q767 WeakPolarHBondContact O-CB 3.4Å; L764-Q767 PolarHBondContact O-N 3.08Å; Q765-Q767 VanDerWaalsContact C-N 3.26Å; Q765-Q767 PolarHBondContact O-N 3.46Å; Q767-S769 PolarHBondContact O-N 3.48Å; Q767-F770 HydrophobicContact CB-CD2 3.92Å; Q767-F770 HydrophobicContact CB-CE2 4.44Å; Q767-F770 HydrophobicContact CG-CD2 4.43Å; Q767-F770 PolarHBondContact O-N 2.85Å; Q767-K771 PolarHBondContact O-N 3.36Å; Q767-K844 VanDerWaalsContact OE1-CE 3.3Å; Q767-H845 PolarHBondContact NE2-CE1 2.75Å; Q767-N865 PolarHBondContact NE2-O 3.14Å; Q767-C867 PolarHBondContact NE2-SG 3.46Å; Q767-C867 VanDerWaalsContact NE2-SG 3.45Å
768	D	82.5	Confident	81.5	Confident	150 Å²	150	54.3 Å²	54.3	80%	0.802	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-34.5	-179.2	-70.1	-35.5	0	0	0	113.1	F770	D768-F770 VanDerWaalsContact C-N 3.25Å; D768-F770 PolarHBondContact O-N 2.95Å
769	S	77.3	Confident	81.9	Confident	61 Å²	61	55.3 Å²	55.3	43%	0.427	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.8	177.8	-54.5	0	0	0	0	114.3	Q767 Y773 E841	Q767-S769 PolarHBondContact O-N 3.48Å; S769-Y773 WeakPolarHBondContact O-CE2 3.31Å; S769-E841 WeakPolarHBondContact CB-OE1 3.4Å
770	F	82.6	Confident	82.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	3.8	-169.7	-46.7	-54.4	0	0	0	114.3	L764 Q767 D768 D772 Y773 L778 L781 F837 E841	L764-F770 HydrophobicContact CB-CD2 4.35Å; L764-F770 HydrophobicContact CD2-CD2 4.22Å; L764-F770 HydrophobicContact CD2-CE2 4.04Å; L764-F770 WeakPolarHBondContact O-CB 3.47Å; L764-F770 WeakPolarHBondContact O-CD2 3.23Å; Q767-F770 HydrophobicContact CB-CD2 3.92Å; Q767-F770 HydrophobicContact CB-CE2 4.44Å; Q767-F770 HydrophobicContact CG-CD2 4.43Å; Q767-F770 PolarHBondContact O-N 2.85Å; D768-F770 VanDerWaalsContact C-N 3.25Å; D768-F770 PolarHBondContact O-N 2.95Å; F770-D772 PolarHBondContact O-N 3.49Å; F770-D772 VanDerWaalsContact O-N 3.16Å; F770-Y773 HydrophobicContact CB-CD2 4.32Å; F770-Y773 HydrophobicContact CD1-CE2 4.45Å; F770-Y773 WeakPolarHBondContact O-CB 3.03Å; F770-Y773 PolarHBondContact O-N 2.97Å; F770-L778 HydrophobicContact CB-CD2 3.78Å; F770-L778 HydrophobicContact CG-CD2 4.44Å; F770-L781 HydrophobicContact CD1-CD2 3.98Å; F770-L781 HydrophobicContact CD2-CD2 4Å; F770-L781 HydrophobicContact CE1-CD2 3.63Å; F770-L781 HydrophobicContact CE2-CD2 3.66Å; F770-L781 HydrophobicContact CG-CD2 4.16Å; F770-L781 HydrophobicContact CZ-CD2 3.46Å; F770-L781 VanDerWaalsContact CZ-CD2 3.46Å; F770-F837 AromaticContact CD1-CD1 3.97Å; F770-F837 HydrophobicContact CD1-CD1 3.97Å; F770-F837 AromaticContact CD1-CE1 3.75Å; F770-F837 HydrophobicContact CD1-CE1 3.75Å; F770-F837 AromaticContact CE1-CD1 3.6Å; F770-F837 HydrophobicContact CE1-CD1 3.6Å; F770-F837 AromaticContact CE1-CE1 3.86Å; F770-F837 HydrophobicContact CE1-CE1 3.86Å; F770-E841 HydrophobicContact CE1-CB 4.16Å; F770-E841 HydrophobicContact CE1-CG 3.91Å; F770-E841 VanDerWaalsContact CE1-OE1 3.23Å; F770-E841 WeakPolarHBondContact CE1-OE1 3.32Å; F770-E841 HydrophobicContact CZ-CB 3.82Å; F770-E841 HydrophobicContact CZ-CG 3.72Å
771	K	80.3	Confident	82.2	Confident	136 Å²	136	54.3 Å²	54.3	59%	0.591	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-38.4	-174.1	-167.7	173.4	-174.9	171.2	0	113.9	Q765 Q767	Q765-K771 PolarHBondContact NE2-O 3.34Å; Q765-K771 WeakPolarHBondContact O-CA 3.09Å; Q767-K771 PolarHBondContact O-N 3.36Å
772	D	79	Confident	82.3	Confident	163 Å²	163	54.4 Å²	54.4	87%	0.872	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	1.2	-178.1	-62	-34	0	0	0	113.8	F770	F770-D772 PolarHBondContact O-N 3.49Å; F770-D772 VanDerWaalsContact O-N 3.16Å
773	Y	77.2	Confident	82.5	Confident	53 Å²	53	54 Å²	54	21%	0.208	28%	0.277	C	S	.	.			trans	-81.2	144.4	179.5	-75.7	-113.4	0	0	0	111.3	Q765 S769 F770 D777 K836 F837	Q765-Y773 PolarHBondContact NE2-O 3.32Å; Q765-Y773 VanDerWaalsContact NE2-O 3.16Å; S769-Y773 WeakPolarHBondContact O-CE2 3.31Å; F770-Y773 HydrophobicContact CB-CD2 4.32Å; F770-Y773 HydrophobicContact CD1-CE2 4.45Å; F770-Y773 WeakPolarHBondContact O-CB 3.03Å; F770-Y773 PolarHBondContact O-N 2.97Å; Y773-D777 HydrophobicContact CD1-CB 3.72Å; Y773-K836 HydrophobicContact CD1-CD 4.05Å; Y773-K836 HydrophobicContact CE1-CB 3.51Å; Y773-K836 HydrophobicContact CE1-CD 3.5Å; Y773-K836 VanDerWaalsContact CE1-CD 3.5Å; Y773-K836 HydrophobicContact CE1-CG 4.14Å; Y773-K836 PolarHBondContact OH-O 3.39Å; Y773-F837 AromaticContact CD1-CE1 3.46Å; Y773-F837 HydrophobicContact CD1-CE1 3.46Å; Y773-F837 VanDerWaalsContact CD1-CE1 3.46Å; Y773-F837 AromaticContact CD1-CZ 3.55Å; Y773-F837 HydrophobicContact CD1-CZ 3.55Å; Y773-F837 AromaticContact CE1-CD1 3.98Å; Y773-F837 HydrophobicContact CE1-CD1 3.98Å; Y773-F837 AromaticContact CE1-CE1 3.2Å; Y773-F837 HydrophobicContact CE1-CE1 3.2Å; Y773-F837 AromaticContact CE1-CZ 3.59Å; Y773-F837 HydrophobicContact CE1-CZ 3.59Å; Y773-F837 HydrophobicContact CG-CE1 4.26Å; Y773-F837 AromaticContact CZ-CE1 3.84Å
774	N	77.1	Confident	82.5	Confident	78 Å²	78	52.2 Å²	52.2	42%	0.417	27%	0.265	S	S	.	.			trans	-80.2	161.9	176.2	64.7	53.6	0	0	0	111.4	T776 D777 L778	N774-T776 PolarHBondContact O-N 3.38Å; N774-T776 VanDerWaalsContact O-N 3.12Å; N774-T776 WeakPolarHBondContact OD1-CA 3.4Å; N774-T776 VanDerWaalsContact OD1-CB 3.28Å; N774-T776 WeakPolarHBondContact OD1-CB 3.42Å; N774-T776 PolarHBondContact OD1-N 3.15Å; N774-T776 VanDerWaalsContact OD1-N 3.1Å; N774-D777 PolarHBondContact ND2-OD2 2.92Å; N774-D777 PolarHBondContact O-N 3.45Å; N774-D777 VanDerWaalsContact OD1-CG 3.31Å; N774-D777 PolarHBondContact OD1-N 3.5Å; N774-D777 PolarHBondContact OD1-OD2 3.37Å; N774-L778 WeakPolarHBondContact O-CG 3.32Å; N774-L778 PolarHBondContact O-N 3.48Å
775	K	75.7	Confident	82.6	Confident	64 Å²	64	52.4 Å²	52.4	28%	0.278	27%	0.265	S	S	.	.	H	α-helix	trans	-55.3	-32.8	-179.4	-159.3	178.2	-172.7	-167.8	0	112.5	E738 E758 I761 L778 R779	E738-K775 IonicContact OE1-NZ 3.07Å; E738-K775 IonicContact OE2-NZ 2.82Å; E738-K775 PolarHBondContact OE2-NZ 2.94Å; E758-K775 IonicContact OE1-NZ 2.8Å; E758-K775 PolarHBondContact OE1-NZ 3.25Å; I761-K775 HydrophobicContact CG2-CG 4.13Å; K775-L778 PolarHBondContact O-N 3.13Å; K775-R779 WeakPolarHBondContact O-CB 2.92Å; K775-R779 VanDerWaalsContact O-CG 3.24Å; K775-R779 WeakPolarHBondContact O-CG 3.2Å; K775-R779 PolarHBondContact O-N 2.95Å
776	T	75.4	Confident	82.8	Confident	46 Å²	46	49.6 Å²	49.6	28%	0.282	25%	0.252	S	S	.	.	H	α-helix	trans	-66.3	-45.6	177.2	-66.1	0	0	0	0	112.2	N774 L778 R779 S780 L828	N774-T776 PolarHBondContact O-N 3.38Å; N774-T776 VanDerWaalsContact O-N 3.12Å; N774-T776 WeakPolarHBondContact OD1-CA 3.4Å; N774-T776 VanDerWaalsContact OD1-CB 3.28Å; N774-T776 WeakPolarHBondContact OD1-CB 3.42Å; N774-T776 PolarHBondContact OD1-N 3.15Å; N774-T776 VanDerWaalsContact OD1-N 3.1Å; T776-L778 VanDerWaalsContact C-N 3.34Å; T776-R779 PolarHBondContact O-N 2.95Å; T776-S780 PolarHBondContact O-N 3.29Å; T776-S780 VanDerWaalsContact O-N 3.1Å; T776-L828 HydrophobicContact CG2-CB 3.83Å; T776-L828 HydrophobicContact CG2-CD1 3.5Å; T776-L828 VanDerWaalsContact CG2-CD1 3.5Å; T776-L828 HydrophobicContact CG2-CD2 4.36Å; T776-L828 HydrophobicContact CG2-CG 4.1Å
777	D	79.5	Confident	83.1	Confident	15 Å²	15	41.9 Å²	41.9	8%	0.08	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-41.6	176.5	-61.7	-50.5	0	0	0	110.5	Y773 N774 S780 L781 K836 F837	Y773-D777 HydrophobicContact CD1-CB 3.72Å; N774-D777 PolarHBondContact ND2-OD2 2.92Å; N774-D777 PolarHBondContact O-N 3.45Å; N774-D777 VanDerWaalsContact OD1-CG 3.31Å; N774-D777 PolarHBondContact OD1-N 3.5Å; N774-D777 PolarHBondContact OD1-OD2 3.37Å; D777-S780 WeakPolarHBondContact O-CA 3.24Å; D777-S780 VanDerWaalsContact O-CB 3.31Å; D777-S780 WeakPolarHBondContact O-CB 3.49Å; D777-S780 PolarHBondContact O-N 2.88Å; D777-S780 VanDerWaalsContact O-N 3.13Å; D777-L781 PolarHBondContact O-N 2.93Å; D777-K836 IonicContact OD1-NZ 2.9Å; D777-K836 PolarHBondContact OD1-NZ 2.89Å; D777-K836 IonicContact OD2-NZ 3.32Å; D777-K836 PolarHBondContact OD2-NZ 3.43Å; D777-F837 HydrophobicContact CB-CZ 4.09Å; D777-F837 WeakPolarHBondContact O-CE2 3.22Å; D777-F837 WeakPolarHBondContact O-CZ 3.25Å
778	L	83.9	Confident	83.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-38.1	177.9	-64.8	177.1	0	0	0	113	I761 L764 Q765 F770 N774 K775 T776 S780 L781 S782	I761-L778 HydrophobicContact CG2-CB 3.97Å; I761-L778 HydrophobicContact CG2-CD1 3.98Å; L764-L778 HydrophobicContact CB-CD2 4.14Å; Q765-L778 HydrophobicContact CB-CD1 3.79Å; Q765-L778 HydrophobicContact CG-CD1 4.15Å; F770-L778 HydrophobicContact CB-CD2 3.78Å; F770-L778 HydrophobicContact CG-CD2 4.44Å; N774-L778 WeakPolarHBondContact O-CG 3.32Å; N774-L778 PolarHBondContact O-N 3.48Å; K775-L778 PolarHBondContact O-N 3.13Å; T776-L778 VanDerWaalsContact C-N 3.34Å; L778-S780 VanDerWaalsContact C-N 3.28Å; L778-S780 PolarHBondContact O-N 3.41Å; L778-L781 PolarHBondContact O-N 3.5Å; L778-S782 WeakPolarHBondContact O-CB 3.46Å; L778-S782 PolarHBondContact O-N 3.34Å
779	R	82.3	Confident	84	Confident	42 Å²	42	34.2 Å²	34.2	16%	0.158	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-37.1	171	-77.7	171.1	-177.8	145.7	-8.9	111.7	N735 E738 I761 K775 T776 A783	N735-R779 VanDerWaalsContact OD1-CD 3.31Å; N735-R779 WeakPolarHBondContact OD1-CD 3.4Å; E738-R779 IonicContact OE2-CZ 3.55Å; E738-R779 IonicContact OE2-NE 3.71Å; E738-R779 IonicContact OE2-NH2 2.69Å; E738-R779 PolarHBondContact OE2-NH2 2.9Å; I761-R779 HydrophobicContact CD1-CG 3.53Å; I761-R779 HydrophobicContact CG1-CG 4.38Å; K775-R779 WeakPolarHBondContact O-CB 2.92Å; K775-R779 VanDerWaalsContact O-CG 3.24Å; K775-R779 WeakPolarHBondContact O-CG 3.2Å; K775-R779 PolarHBondContact O-N 2.95Å; T776-R779 PolarHBondContact O-N 2.95Å; R779-A783 PolarHBondContact O-N 3.3Å
780	S	82.1	Confident	84.8	Confident	30 Å²	30	31.3 Å²	31.3	21%	0.21	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-44.6	172.9	-174.8	0	0	0	0	111.4	R727 T776 D777 L778 A783 D784	R727-S780 PolarHBondContact NH2-OG 3.18Å; T776-S780 PolarHBondContact O-N 3.29Å; T776-S780 VanDerWaalsContact O-N 3.1Å; D777-S780 WeakPolarHBondContact O-CA 3.24Å; D777-S780 VanDerWaalsContact O-CB 3.31Å; D777-S780 WeakPolarHBondContact O-CB 3.49Å; D777-S780 PolarHBondContact O-N 2.88Å; D777-S780 VanDerWaalsContact O-N 3.13Å; L778-S780 VanDerWaalsContact C-N 3.28Å; L778-S780 PolarHBondContact O-N 3.41Å; S780-A783 WeakPolarHBondContact O-CB 3.42Å; S780-A783 PolarHBondContact O-N 3.13Å; S780-D784 VanDerWaalsContact O-CG 3.27Å; S780-D784 PolarHBondContact O-N 3.24Å
781	L	85.8	Confident	85.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-42.9	176.9	-179.5	56.2	0	0	0	112.3	L764 F770 D777 L778 A783 D784 I785 F837 I842	L764-L781 HydrophobicContact CD1-CB 4.49Å; L764-L781 HydrophobicContact CD1-CD2 4.21Å; L764-L781 HydrophobicContact CD1-CG 4.21Å; L764-L781 HydrophobicContact CD2-CD2 3.93Å; L764-L781 HydrophobicContact CD2-CG 4.45Å; F770-L781 HydrophobicContact CD1-CD2 3.98Å; F770-L781 HydrophobicContact CD2-CD2 4Å; F770-L781 HydrophobicContact CE1-CD2 3.63Å; F770-L781 HydrophobicContact CE2-CD2 3.66Å; F770-L781 HydrophobicContact CG-CD2 4.16Å; F770-L781 HydrophobicContact CZ-CD2 3.46Å; F770-L781 VanDerWaalsContact CZ-CD2 3.46Å; D777-L781 PolarHBondContact O-N 2.93Å; L778-L781 PolarHBondContact O-N 3.5Å; L781-A783 VanDerWaalsContact C-N 3.3Å; L781-A783 PolarHBondContact O-N 3.45Å; L781-D784 WeakPolarHBondContact O-CB 3.47Å; L781-D784 PolarHBondContact O-N 3.16Å; L781-D784 VanDerWaalsContact O-N 3.1Å; L781-I785 HydrophobicContact CD1-CD1 4.05Å; L781-I785 HydrophobicContact CD1-CG1 4.18Å; L781-I785 HydrophobicContact CG-CD1 3.88Å; L781-I785 HydrophobicContact CG-CG1 4.47Å; L781-I785 WeakPolarHBondContact O-CG1 3.09Å; L781-I785 PolarHBondContact O-N 2.87Å; L781-F837 HydrophobicContact CB-CD2 3.9Å; L781-F837 HydrophobicContact CB-CE1 4.21Å; L781-F837 HydrophobicContact CB-CE2 3.58Å; L781-F837 HydrophobicContact CB-CG 4.37Å; L781-F837 HydrophobicContact CB-CZ 3.73Å; L781-F837 HydrophobicContact CD1-CB 4.05Å; L781-F837 HydrophobicContact CD1-CD1 4.2Å; L781-F837 HydrophobicContact CD1-CD2 3.95Å; L781-F837 HydrophobicContact CD1-CE2 4.49Å; L781-F837 HydrophobicContact CD1-CG 3.78Å; L781-F837 HydrophobicContact CD2-CD1 3.92Å; L781-F837 HydrophobicContact CD2-CE1 3.8Å; L781-F837 HydrophobicContact CD2-CG 4.32Å; L781-F837 HydrophobicContact CD2-CZ 4.17Å; L781-F837 HydrophobicContact CG-CD1 4.44Å; L781-F837 HydrophobicContact CG-CD2 4.37Å; L781-F837 HydrophobicContact CG-CE1 4.45Å; L781-F837 HydrophobicContact CG-CE2 4.42Å; L781-F837 HydrophobicContact CG-CG 4.37Å; L781-F837 HydrophobicContact CG-CZ 4.44Å; L781-I842 HydrophobicContact CD1-CG1 4.07Å
782	S	87.8	Confident	86.1	Confident	7 Å²	7	25.3 Å²	25.3	5%	0.049	13%	0.13	C	C	.	.	H	α-helix	trans	-56.3	-46.1	173.7	167.2	0	0	0	0	110.8	Q760 L778 D784 I785 N786	Q760-S782 PolarHBondContact OE1-OG 3.42Å; L778-S782 WeakPolarHBondContact O-CB 3.46Å; L778-S782 PolarHBondContact O-N 3.34Å; S782-D784 VanDerWaalsContact C-N 3.34Å; S782-D784 PolarHBondContact O-N 3.5Å; S782-I785 PolarHBondContact O-N 3.44Å; S782-N786 WeakPolarHBondContact O-CB 3.1Å; S782-N786 VanDerWaalsContact O-CG 3.26Å; S782-N786 PolarHBondContact O-N 3.44Å; S782-N786 PolarHBondContact O-ND2 2.77Å; S782-N786 PolarHBondContact OG-ND2 3.39Å; S782-N786 VanDerWaalsContact OG-ND2 3.12Å
783	A	87.7	Confident	86.8	Confident	2 Å²	2	20.3 Å²	20.3	2%	0.017	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-38.8	175	0	0	0	0	0	112.7	R727 Y731 R779 S780 L781 G787	R727-A783 HydrophobicContact CG-CB 4.03Å; Y731-A783 HydrophobicContact CD2-CB 3.97Å; Y731-A783 HydrophobicContact CG-CB 4.4Å; R779-A783 PolarHBondContact O-N 3.3Å; S780-A783 WeakPolarHBondContact O-CB 3.42Å; S780-A783 PolarHBondContact O-N 3.13Å; L781-A783 VanDerWaalsContact C-N 3.3Å; L781-A783 PolarHBondContact O-N 3.45Å; A783-G787 WeakPolarHBondContact O-CA 3.45Å; A783-G787 PolarHBondContact O-N 3.42Å
784	D	88.5	Confident	87.7	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.1	-46.7	177	-69.7	-33.2	0	0	0	111.8	W723 R727 S780 L781 S782 L788 I842	W723-D784 HydrophobicContact CZ2-CB 4.02Å; W723-D784 VanDerWaalsContact CZ2-OD1 3.28Å; W723-D784 WeakPolarHBondContact CZ2-OD1 3.47Å; W723-D784 PolarHBondContact NE1-O 3.47Å; R727-D784 WeakPolarHBondContact CD-OD1 3.46Å; R727-D784 IonicContact CZ-OD1 2.8Å; R727-D784 IonicContact NE-OD1 3.84Å; R727-D784 PolarHBondContact NE-OD1 3.14Å; S780-D784 VanDerWaalsContact O-CG 3.27Å; S780-D784 PolarHBondContact O-N 3.24Å; L781-D784 WeakPolarHBondContact O-CB 3.47Å; L781-D784 PolarHBondContact O-N 3.16Å; L781-D784 VanDerWaalsContact O-N 3.1Å; S782-D784 VanDerWaalsContact C-N 3.34Å; S782-D784 PolarHBondContact O-N 3.5Å; D784-L788 PolarHBondContact O-N 2.86Å; D784-I842 HydrophobicContact CB-CD1 3.86Å; D784-I842 HydrophobicContact CB-CG1 4.09Å
785	I	91.1	Very high	88.5	Confident	3 Å²	3	15.6 Å²	15.6	2%	0.015	8%	0.077	C	C	.	.	H	α-helix	trans	-64.2	-55.2	178.5	-67.2	164.1	0	0	0	110.2	L764 L781 S782 G787 L788 M789 I842 H845	L764-I785 HydrophobicContact CD1-CD1 4.33Å; L764-I785 HydrophobicContact CD2-CD1 3.88Å; L781-I785 HydrophobicContact CD1-CD1 4.05Å; L781-I785 HydrophobicContact CD1-CG1 4.18Å; L781-I785 HydrophobicContact CG-CD1 3.88Å; L781-I785 HydrophobicContact CG-CG1 4.47Å; L781-I785 WeakPolarHBondContact O-CG1 3.09Å; L781-I785 PolarHBondContact O-N 2.87Å; S782-I785 PolarHBondContact O-N 3.44Å; I785-G787 VanDerWaalsContact C-N 3.32Å; I785-G787 PolarHBondContact O-N 3.28Å; I785-L788 WeakPolarHBondContact O-CB 3.39Å; I785-L788 PolarHBondContact O-N 3.39Å; I785-M789 HydrophobicContact CG2-SD 4.18Å; I785-M789 WeakPolarHBondContact O-CG 3.34Å; I785-M789 PolarHBondContact O-N 2.97Å; I785-I842 HydrophobicContact CG1-CG2 4.19Å; I785-H845 HydrophobicContact CD1-CB 4.24Å; I785-H845 VanDerWaalsContact CD1-CD2 3.44Å; I785-H845 WeakPolarHBondContact CD1-CD2 3.38Å; I785-H845 HydrophobicContact CG1-CB 4.36Å; I785-H845 HydrophobicContact CG2-CB 3.85Å
786	N	90.4	Very high	89	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-70	-32.6	-174.3	-62.5	-42.9	0	0	0	111.7	M730 Q760 S782 L788 M789 L790 L869	M730-N786 HydrophobicContact CB-CB 4.24Å; M730-N786 HydrophobicContact CE-CB 3.79Å; M730-N786 HydrophobicContact CG-CB 3.83Å; M730-N786 HydrophobicContact SD-CB 4.36Å; Q760-N786 PolarHBondContact NE2-ND2 3.34Å; Q760-N786 PolarHBondContact NE2-OD1 3.44Å; Q760-N786 PolarHBondContact OE1-ND2 2.92Å; S782-N786 WeakPolarHBondContact O-CB 3.1Å; S782-N786 VanDerWaalsContact O-CG 3.26Å; S782-N786 PolarHBondContact O-N 3.44Å; S782-N786 PolarHBondContact O-ND2 2.77Å; S782-N786 PolarHBondContact OG-ND2 3.39Å; S782-N786 VanDerWaalsContact OG-ND2 3.12Å; N786-L788 VanDerWaalsContact C-N 3.32Å; N786-L788 PolarHBondContact O-N 2.97Å; N786-M789 PolarHBondContact O-N 2.98Å; N786-L790 VanDerWaalsContact O-CB 3.29Å; N786-L790 WeakPolarHBondContact O-CB 3.43Å; N786-L790 PolarHBondContact O-N 2.86Å; N786-L869 WeakPolarHBondContact ND2-CD2 3.29Å; N786-L869 WeakPolarHBondContact OD1-CB 3.33Å
787	G	92.6	Very high	89	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.7	-37.4	172.6	0	0	0	0	0	113	A783 I785 S791	A783-G787 WeakPolarHBondContact O-CA 3.45Å; A783-G787 PolarHBondContact O-N 3.42Å; I785-G787 VanDerWaalsContact C-N 3.32Å; I785-G787 PolarHBondContact O-N 3.28Å; G787-S791 WeakPolarHBondContact O-CB 3.29Å; G787-S791 PolarHBondContact O-N 3.08Å
788	L	93.5	Very high	88.5	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-66.7	-46.6	173.9	-175.2	69.5	0	0	0	111.9	W723 D784 I785 N786 S791 F792 F807 F808 F811 I842 L843	W723-L788 VanDerWaalsContact CD1-CA 3.46Å; D784-L788 PolarHBondContact O-N 2.86Å; I785-L788 WeakPolarHBondContact O-CB 3.39Å; I785-L788 PolarHBondContact O-N 3.39Å; N786-L788 VanDerWaalsContact C-N 3.32Å; N786-L788 PolarHBondContact O-N 2.97Å; L788-S791 PolarHBondContact O-N 3.01Å; L788-F792 VanDerWaalsContact O-CB 3.31Å; L788-F792 WeakPolarHBondContact O-CB 3.4Å; L788-F792 PolarHBondContact O-N 3.03Å; L788-F807 HydrophobicContact CD1-CE1 3.7Å; L788-F807 HydrophobicContact CD1-CZ 3.88Å; L788-F808 HydrophobicContact CD2-CE1 4.28Å; L788-F811 HydrophobicContact CD1-CB 4.29Å; L788-F811 HydrophobicContact CD1-CD1 3.83Å; L788-F811 HydrophobicContact CD1-CD2 3.73Å; L788-F811 HydrophobicContact CD1-CE1 4.06Å; L788-F811 HydrophobicContact CD1-CE2 3.99Å; L788-F811 HydrophobicContact CD1-CG 3.65Å; L788-F811 HydrophobicContact CD1-CZ 4.13Å; L788-F811 HydrophobicContact CD2-CD1 4.25Å; L788-F811 HydrophobicContact CD2-CE1 3.92Å; L788-F811 HydrophobicContact CD2-CZ 4.28Å; L788-I842 HydrophobicContact CB-CG2 4.43Å; L788-I842 HydrophobicContact CD2-CG2 3.91Å; L788-L843 HydrophobicContact CD2-CD2 3.73Å
789	M	93.4	Very high	88.2	Confident	17 Å²	17	22.7 Å²	22.7	8%	0.084	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-45.5	177.3	-66.7	178	68	0	0	111.3	I785 N786 F792 K793 L868	I785-M789 HydrophobicContact CG2-SD 4.18Å; I785-M789 WeakPolarHBondContact O-CG 3.34Å; I785-M789 PolarHBondContact O-N 2.97Å; N786-M789 PolarHBondContact O-N 2.98Å; M789-F792 PolarHBondContact O-N 3.38Å; M789-K793 VanDerWaalsContact O-CB 3.26Å; M789-K793 WeakPolarHBondContact O-CB 3.34Å; M789-K793 PolarHBondContact O-N 3.29Å; M789-L868 HydrophobicContact CE-CD2 3.94Å; M789-L868 HydrophobicContact SD-CD2 3.92Å
790	L	94.2	Very high	88.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-52	176.3	176.8	58.8	0	0	0	111.1	L592 T595 L596 M730 N786 F792 K793 T794 W870	L592-L790 HydrophobicContact CD2-CG 4.02Å; T595-L790 HydrophobicContact CG2-CD1 3.84Å; L596-L790 HydrophobicContact CB-CD1 3.86Å; L596-L790 HydrophobicContact CB-CD2 4.09Å; L596-L790 HydrophobicContact CD1-CD2 4.42Å; L596-L790 HydrophobicContact CD2-CD2 4.32Å; M730-L790 HydrophobicContact CG-CD2 4.2Å; M730-L790 HydrophobicContact SD-CD2 4.21Å; N786-L790 VanDerWaalsContact O-CB 3.29Å; N786-L790 WeakPolarHBondContact O-CB 3.43Å; N786-L790 PolarHBondContact O-N 2.86Å; L790-F792 PolarHBondContact O-N 3.22Å; L790-K793 PolarHBondContact O-N 2.86Å; L790-T794 PolarHBondContact O-N 2.94Å; L790-T794 PolarHBondContact O-OG1 3.12Å; L790-W870 HydrophobicContact CB-CH2 4.47Å
791	S	95.9	Very high	88.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-42.3	-179.5	-169.7	0	0	0	0	112.6	Y718 W723 G787 L788 T794 Y795	Y718-S791 PolarHBondContact O-OG 2.86Å; W723-S791 PolarHBondContact N-OG 3.41Å; G787-S791 WeakPolarHBondContact O-CB 3.29Å; G787-S791 PolarHBondContact O-N 3.08Å; L788-S791 PolarHBondContact O-N 3.01Å; S791-T794 PolarHBondContact O-N 2.87Å; S791-Y795 PolarHBondContact O-N 3.4Å; S791-Y795 VanDerWaalsContact O-N 3.14Å
792	F	95.9	Very high	88.9	Confident	11 Å²	11	33.6 Å²	33.6	5%	0.048	19%	0.188	C	C	.	.	H	α-helix	trans	-63.3	-46.6	176.3	-178.8	-99.4	0	0	0	111.4	L788 M789 L790 T794 Y795 A796 K804 F807 F808 E848 I852	L788-F792 VanDerWaalsContact O-CB 3.31Å; L788-F792 WeakPolarHBondContact O-CB 3.4Å; L788-F792 PolarHBondContact O-N 3.03Å; M789-F792 PolarHBondContact O-N 3.38Å; L790-F792 PolarHBondContact O-N 3.22Å; F792-T794 VanDerWaalsContact C-N 3.3Å; F792-T794 PolarHBondContact O-N 3.5Å; F792-Y795 PolarHBondContact O-N 3.23Å; F792-Y795 VanDerWaalsContact O-N 3.1Å; F792-A796 HydrophobicContact CD1-CB 4.1Å; F792-A796 HydrophobicContact CE1-CB 3.67Å; F792-A796 HydrophobicContact CE2-CB 4.49Å; F792-A796 HydrophobicContact CZ-CB 3.89Å; F792-A796 WeakPolarHBondContact O-CB 3.45Å; F792-A796 PolarHBondContact O-N 2.89Å; F792-K804 HydrophobicContact CE2-CB 4.21Å; F792-K804 HydrophobicContact CE2-CG 3.99Å; F792-K804 HydrophobicContact CZ-CB 4.42Å; F792-K804 HydrophobicContact CZ-CD 4.26Å; F792-K804 HydrophobicContact CZ-CG 3.98Å; F792-F807 HydrophobicContact CB-CD1 4.46Å; F792-F807 HydrophobicContact CB-CE1 3.73Å; F792-F807 HydrophobicContact CB-CE2 4.23Å; F792-F807 HydrophobicContact CB-CZ 3.61Å; F792-F807 AromaticContact CD2-CD1 3.53Å; F792-F807 HydrophobicContact CD2-CD1 3.53Å; F792-F807 HydrophobicContact CD2-CD2 4.37Å; F792-F807 AromaticContact CD2-CE1 3.67Å; F792-F807 HydrophobicContact CD2-CE1 3.67Å; F792-F807 HydrophobicContact CD2-CE2 4.45Å; F792-F807 AromaticContact CD2-CG 3.94Å; F792-F807 HydrophobicContact CD2-CG 3.94Å; F792-F807 HydrophobicContact CD2-CZ 4.15Å; F792-F807 HydrophobicContact CE2-CD1 4.3Å; F792-F807 HydrophobicContact CG-CD1 4.45Å; F792-F807 HydrophobicContact CG-CE1 4.16Å; F792-F807 HydrophobicContact CG-CZ 4.4Å; F792-F808 HydrophobicContact CD2-CE1 4.44Å; F792-F808 AromaticContact CD2-CE2 3.74Å; F792-F808 HydrophobicContact CD2-CE2 3.74Å; F792-F808 AromaticContact CD2-CZ 3.67Å; F792-F808 HydrophobicContact CD2-CZ 3.67Å; F792-F808 HydrophobicContact CE2-CD2 4.33Å; F792-F808 AromaticContact CE2-CE2 3.5Å; F792-F808 HydrophobicContact CE2-CE2 3.5Å; F792-F808 AromaticContact CE2-CZ 3.89Å; F792-F808 HydrophobicContact CE2-CZ 3.89Å; F792-F808 HydrophobicContact CG-CE2 4.47Å; F792-F808 HydrophobicContact CG-CZ 4.01Å; F792-F808 HydrophobicContact CZ-CE2 4.1Å; F792-F808 HydrophobicContact CZ-CZ 4.43Å; F792-E848 HydrophobicContact CD1-CB 3.87Å; F792-E848 HydrophobicContact CD1-CG 3.84Å; F792-E848 HydrophobicContact CE1-CB 3.5Å; F792-E848 HydrophobicContact CE1-CG 3.62Å; F792-E848 HydrophobicContact CZ-CB 4.11Å; F792-I852 HydrophobicContact CE1-CD1 4.47Å; F792-I852 HydrophobicContact CE2-CD1 3.94Å; F792-I852 HydrophobicContact CZ-CD1 3.51Å
793	K	93.8	Very high	89.1	Confident	58 Å²	58	33.7 Å²	33.7	25%	0.252	19%	0.19	S	C	.	.	H	α-helix	trans	-61.8	-38.4	179.9	-172.5	166.1	-180	163.6	0	111.7	T595 M789 L790 Y795 E872	T595-K793 HydrophobicContact CG2-CB 4.03Å; T595-K793 HydrophobicContact CG2-CD 4.17Å; T595-K793 HydrophobicContact CG2-CG 3.79Å; M789-K793 VanDerWaalsContact O-CB 3.26Å; M789-K793 WeakPolarHBondContact O-CB 3.34Å; M789-K793 PolarHBondContact O-N 3.29Å; L790-K793 PolarHBondContact O-N 2.86Å; K793-Y795 VanDerWaalsContact C-N 3.33Å; K793-Y795 PolarHBondContact O-N 2.95Å; K793-E872 IonicContact NZ-OE1 2.85Å; K793-E872 PolarHBondContact NZ-OE1 3.19Å
794	T	94.7	Very high	89.3	Confident	12 Å²	12	36.1 Å²	36.1	7%	0.074	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-37.3	174.1	-58.5	0	0	0	0	112.3	Q591 L592 T595 Y718 L790 S791 F792	Q591-T794 HydrophobicContact CB-CG2 3.74Å; L592-T794 HydrophobicContact CD2-CG2 4.36Å; L592-T794 HydrophobicContact CG-CG2 4.48Å; T595-T794 WeakPolarHBondContact CB-OG1 3.32Å; T595-T794 WeakPolarHBondContact CG2-OG1 3.39Å; T595-T794 PolarHBondContact OG1-OG1 2.81Å; Y718-T794 HydrophobicContact CD1-CG2 4.45Å; Y718-T794 HydrophobicContact CE1-CG2 3.55Å; Y718-T794 WeakPolarHBondContact OH-CG2 3.39Å; L790-T794 PolarHBondContact O-N 2.94Å; L790-T794 PolarHBondContact O-OG1 3.12Å; S791-T794 PolarHBondContact O-N 2.87Å; F792-T794 VanDerWaalsContact C-N 3.3Å; F792-T794 PolarHBondContact O-N 3.5Å
795	Y	94.1	Very high	89.3	Confident	19 Å²	19	40 Å²	40	8%	0.075	22%	0.217	C	C	.	.	H	α-helix	trans	-78.6	-38.9	177.2	165.3	-103.9	0	0	0	113.8	M714 S715 Y718 S791 F792 K793 S797 D798 G799 G803 K804 F807	M714-Y795 HydrophobicContact CB-CD2 4.44Å; M714-Y795 HydrophobicContact CB-CE2 4.43Å; S715-Y795 VanDerWaalsContact CB-CZ 3.48Å; Y718-Y795 HydrophobicContact CD2-CD2 4.21Å; S791-Y795 PolarHBondContact O-N 3.4Å; S791-Y795 VanDerWaalsContact O-N 3.14Å; F792-Y795 PolarHBondContact O-N 3.23Å; F792-Y795 VanDerWaalsContact O-N 3.1Å; K793-Y795 VanDerWaalsContact C-N 3.33Å; K793-Y795 PolarHBondContact O-N 2.95Å; Y795-S797 PolarHBondContact O-N 3.48Å; Y795-S797 VanDerWaalsContact O-N 3.08Å; Y795-D798 PolarHBondContact O-N 2.98Å; Y795-G799 VanDerWaalsContact OH-CA 3.25Å; Y795-G799 WeakPolarHBondContact OH-CA 3.43Å; Y795-G803 WeakPolarHBondContact OH-CA 3.25Å; Y795-G803 PolarHBondContact OH-O 3.27Å; Y795-K804 HydrophobicContact CE1-CG 3.95Å; Y795-F807 HydrophobicContact CD1-CB 4.29Å; Y795-F807 HydrophobicContact CD1-CD2 4.13Å; Y795-F807 HydrophobicContact CD1-CG 4.44Å; Y795-F807 HydrophobicContact CE1-CB 4.31Å; Y795-F807 HydrophobicContact CG-CD2 4.38Å
796	A	87	Confident	89.3	Confident	22 Å²	22	42.9 Å²	42.9	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-18.3	-162.6	0	0	0	0	0	114.7	F792 D798 K804	F792-A796 HydrophobicContact CD1-CB 4.1Å; F792-A796 HydrophobicContact CE1-CB 3.67Å; F792-A796 HydrophobicContact CE2-CB 4.49Å; F792-A796 HydrophobicContact CZ-CB 3.89Å; F792-A796 WeakPolarHBondContact O-CB 3.45Å; F792-A796 PolarHBondContact O-N 2.89Å; A796-D798 PolarHBondContact O-N 3.28Å; A796-K804 WeakPolarHBondContact O-CE 3.34Å; A796-K804 PolarHBondContact O-NZ 3.42Å
797	S	74.3	Confident	89.5	Confident	94 Å²	94	42.9 Å²	42.9	66%	0.657	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.1	175.8	59.4	0	0	0	0	112.7	Y795	Y795-S797 PolarHBondContact O-N 3.48Å; Y795-S797 VanDerWaalsContact O-N 3.08Å
798	D	69.7	Low	89.4	Confident	149 Å²	149	42.9 Å²	42.9	80%	0.797	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-10.9	-171.6	-59.7	-12.9	0	0	0	112.8	Y795 A796	Y795-D798 PolarHBondContact O-N 2.98Å; A796-D798 PolarHBondContact O-N 3.28Å
799	G	77.8	Confident	89	Confident	10 Å²	10	43.4 Å²	43.4	10%	0.103	24%	0.236	C	C	.	.			trans	-89.8	131.6	-170.5	0	0	0	0	0	115.4	Y795 K804	Y795-G799 VanDerWaalsContact OH-CA 3.25Å; Y795-G799 WeakPolarHBondContact OH-CA 3.43Å; G799-K804 WeakPolarHBondContact O-CE 3.46Å; G799-K804 PolarHBondContact O-NZ 3.31Å
800	D	88.2	Confident	88.7	Confident	104 Å²	104	43.1 Å²	43.1	56%	0.556	24%	0.236	S	C	*	.			trans	-70.8	174.8	164.8	69.2	-0.1	0	0	0	111.9	D802 G803 K804	D800-D802 VanDerWaalsContact C-N 3.29Å; D800-D802 PolarHBondContact O-N 2.9Å; D800-G803 PolarHBondContact O-N 2.83Å; D800-G803 WeakPolarHBondContact OD1-CA 3.06Å; D800-G803 PolarHBondContact OD1-N 3.32Å; D800-K804 WeakPolarHBondContact O-CB 3.24Å; D800-K804 VanDerWaalsContact O-CG 3.28Å; D800-K804 WeakPolarHBondContact O-CG 3.28Å; D800-K804 PolarHBondContact O-N 3.31Å
801	L	87.5	Confident	88.4	Confident	87 Å²	87	43.1 Å²	43.1	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-37.4	-176.8	-177.9	62.2	0	0	0	112.2	K804 K805 I852	L801-K804 PolarHBondContact O-N 3.41Å; L801-K805 WeakPolarHBondContact O-CG 3.19Å; L801-K805 PolarHBondContact O-N 3.39Å; L801-I852 HydrophobicContact CD1-CG1 4.39Å; L801-I852 HydrophobicContact CD1-CG2 4.15Å
802	D	89.1	Confident	87.8	Confident	110 Å²	110	43.1 Å²	43.1	59%	0.588	24%	0.236	S	C	*	.	H	α-helix	trans	-70.3	-42.7	-179.3	-70.1	-22.2	0	0	0	111	D800 K804 K805 L806	D800-D802 VanDerWaalsContact C-N 3.29Å; D800-D802 PolarHBondContact O-N 2.9Å; D802-K804 VanDerWaalsContact C-N 3.31Å; D802-K804 PolarHBondContact O-N 3.4Å; D802-K805 PolarHBondContact O-N 3.18Å; D802-L806 WeakPolarHBondContact O-CB 3.43Å; D802-L806 PolarHBondContact O-N 3.35Å
803	G	90.8	Very high	86.9	Confident	8 Å²	8	48.5 Å²	48.5	8%	0.082	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-37.9	171.6	0	0	0	0	0	112.4	S715 Y795 D800 L806 F807	S715-G803 WeakPolarHBondContact CB-O 3.47Å; Y795-G803 WeakPolarHBondContact OH-CA 3.25Å; Y795-G803 PolarHBondContact OH-O 3.27Å; D800-G803 PolarHBondContact O-N 2.83Å; D800-G803 WeakPolarHBondContact OD1-CA 3.06Å; D800-G803 PolarHBondContact OD1-N 3.32Å; G803-L806 PolarHBondContact O-N 3.37Å; G803-F807 PolarHBondContact O-N 2.81Å
804	K	92.5	Very high	86.2	Confident	53 Å²	53	46 Å²	46	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-39.8	174.4	-76.6	168.7	174	157.1	0	112.9	F792 Y795 A796 G799 D800 L801 D802 F807 F808 I852	F792-K804 HydrophobicContact CE2-CB 4.21Å; F792-K804 HydrophobicContact CE2-CG 3.99Å; F792-K804 HydrophobicContact CZ-CB 4.42Å; F792-K804 HydrophobicContact CZ-CD 4.26Å; F792-K804 HydrophobicContact CZ-CG 3.98Å; Y795-K804 HydrophobicContact CE1-CG 3.95Å; A796-K804 WeakPolarHBondContact O-CE 3.34Å; A796-K804 PolarHBondContact O-NZ 3.42Å; G799-K804 WeakPolarHBondContact O-CE 3.46Å; G799-K804 PolarHBondContact O-NZ 3.31Å; D800-K804 WeakPolarHBondContact O-CB 3.24Å; D800-K804 VanDerWaalsContact O-CG 3.28Å; D800-K804 WeakPolarHBondContact O-CG 3.28Å; D800-K804 PolarHBondContact O-N 3.31Å; L801-K804 PolarHBondContact O-N 3.41Å; D802-K804 VanDerWaalsContact C-N 3.31Å; D802-K804 PolarHBondContact O-N 3.4Å; K804-F807 WeakPolarHBondContact O-CB 3.33Å; K804-F808 WeakPolarHBondContact O-CD2 3.45Å; K804-I852 HydrophobicContact CB-CD1 3.79Å; K804-I852 HydrophobicContact CD-CD1 4.34Å; K804-I852 HydrophobicContact CG-CD1 4.36Å
805	K	89.7	Confident	85.2	Confident	81 Å²	81	46.7 Å²	46.7	35%	0.352	25%	0.251	S	S	.	.	H	α-helix	trans	-65.9	-41.5	171.3	-72.2	175.2	178.5	179.4	0	111.8	L801 D802 F807 F808 S809 I852	L801-K805 WeakPolarHBondContact O-CG 3.19Å; L801-K805 PolarHBondContact O-N 3.39Å; D802-K805 PolarHBondContact O-N 3.18Å; K805-F807 VanDerWaalsContact C-N 3.31Å; K805-F807 PolarHBondContact O-N 2.93Å; K805-F808 PolarHBondContact O-N 3.07Å; K805-S809 WeakPolarHBondContact O-CB 3.26Å; K805-S809 PolarHBondContact O-N 2.89Å; K805-I852 HydrophobicContact CG-CG2 3.52Å
806	L	90.2	Very high	83.9	Confident	64 Å²	64	47 Å²	47	34%	0.335	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-36.1	178.9	-177.2	57.3	0	0	0	112	S715 E716 D802 G803 S809 S810	S715-L806 WeakPolarHBondContact OG-CD2 3.31Å; E716-L806 HydrophobicContact CG-CD1 4.11Å; E716-L806 HydrophobicContact CG-CD2 3.93Å; E716-L806 HydrophobicContact CG-CG 3.86Å; D802-L806 WeakPolarHBondContact O-CB 3.43Å; D802-L806 PolarHBondContact O-N 3.35Å; G803-L806 PolarHBondContact O-N 3.37Å; L806-S809 PolarHBondContact O-N 2.82Å; L806-S810 VanDerWaalsContact O-CB 3.29Å; L806-S810 WeakPolarHBondContact O-CB 3.29Å; L806-S810 PolarHBondContact O-N 2.86Å; L806-S810 PolarHBondContact O-OG 3Å
807	F	93.8	Very high	82.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-53.7	-56	172.1	170.5	-81	0	0	0	111.3	Y718 G719 L788 F792 Y795 G803 K804 K805 S809 S810 F811	Y718-F807 WeakPolarHBondContact O-CE2 3.4Å; G719-F807 VanDerWaalsContact N-CD2 3.25Å; G719-F807 VanDerWaalsContact N-CE2 3.33Å; L788-F807 HydrophobicContact CD1-CE1 3.7Å; L788-F807 HydrophobicContact CD1-CZ 3.88Å; F792-F807 HydrophobicContact CB-CD1 4.46Å; F792-F807 HydrophobicContact CB-CE1 3.73Å; F792-F807 HydrophobicContact CB-CE2 4.23Å; F792-F807 HydrophobicContact CB-CZ 3.61Å; F792-F807 AromaticContact CD2-CD1 3.53Å; F792-F807 HydrophobicContact CD2-CD1 3.53Å; F792-F807 HydrophobicContact CD2-CD2 4.37Å; F792-F807 AromaticContact CD2-CE1 3.67Å; F792-F807 HydrophobicContact CD2-CE1 3.67Å; F792-F807 HydrophobicContact CD2-CE2 4.45Å; F792-F807 AromaticContact CD2-CG 3.94Å; F792-F807 HydrophobicContact CD2-CG 3.94Å; F792-F807 HydrophobicContact CD2-CZ 4.15Å; F792-F807 HydrophobicContact CE2-CD1 4.3Å; F792-F807 HydrophobicContact CG-CD1 4.45Å; F792-F807 HydrophobicContact CG-CE1 4.16Å; F792-F807 HydrophobicContact CG-CZ 4.4Å; Y795-F807 HydrophobicContact CD1-CB 4.29Å; Y795-F807 HydrophobicContact CD1-CD2 4.13Å; Y795-F807 HydrophobicContact CD1-CG 4.44Å; Y795-F807 HydrophobicContact CE1-CB 4.31Å; Y795-F807 HydrophobicContact CG-CD2 4.38Å; G803-F807 PolarHBondContact O-N 2.81Å; K804-F807 WeakPolarHBondContact O-CB 3.33Å; K805-F807 VanDerWaalsContact C-N 3.31Å; K805-F807 PolarHBondContact O-N 2.93Å; F807-S809 PolarHBondContact O-N 3.04Å; F807-S810 PolarHBondContact O-N 3.39Å; F807-F811 PolarHBondContact O-N 3.15Å
808	F	91.1	Very high	81.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.2	-37.1	-176.4	-73.2	-66	0	0	0	112.1	L788 F792 K804 K805 S810 F811 A812 L843 E848 F849 I852	L788-F808 HydrophobicContact CD2-CE1 4.28Å; F792-F808 HydrophobicContact CD2-CE1 4.44Å; F792-F808 AromaticContact CD2-CE2 3.74Å; F792-F808 HydrophobicContact CD2-CE2 3.74Å; F792-F808 AromaticContact CD2-CZ 3.67Å; F792-F808 HydrophobicContact CD2-CZ 3.67Å; F792-F808 HydrophobicContact CE2-CD2 4.33Å; F792-F808 AromaticContact CE2-CE2 3.5Å; F792-F808 HydrophobicContact CE2-CE2 3.5Å; F792-F808 AromaticContact CE2-CZ 3.89Å; F792-F808 HydrophobicContact CE2-CZ 3.89Å; F792-F808 HydrophobicContact CG-CE2 4.47Å; F792-F808 HydrophobicContact CG-CZ 4.01Å; F792-F808 HydrophobicContact CZ-CE2 4.1Å; F792-F808 HydrophobicContact CZ-CZ 4.43Å; K804-F808 WeakPolarHBondContact O-CD2 3.45Å; K805-F808 PolarHBondContact O-N 3.07Å; F808-S810 VanDerWaalsContact C-N 3.32Å; F808-S810 PolarHBondContact O-N 3.14Å; F808-F811 PolarHBondContact O-N 3.1Å; F808-A812 WeakPolarHBondContact O-CB 3.3Å; F808-A812 PolarHBondContact O-N 2.93Å; F808-L843 HydrophobicContact CD1-CD2 3.64Å; F808-L843 HydrophobicContact CE1-CD2 4.1Å; F808-E848 HydrophobicContact CZ-CB 4.32Å; F808-F849 HydrophobicContact CB-CD2 3.97Å; F808-F849 HydrophobicContact CB-CE2 4.23Å; F808-F849 HydrophobicContact CD1-CB 4.28Å; F808-F849 AromaticContact CD1-CD2 3.77Å; F808-F849 HydrophobicContact CD1-CD2 3.77Å; F808-F849 HydrophobicContact CD1-CG 4.47Å; F808-F849 HydrophobicContact CD2-CD2 4.04Å; F808-F849 HydrophobicContact CE1-CB 3.87Å; F808-F849 HydrophobicContact CE1-CD2 4.24Å; F808-F849 HydrophobicContact CE2-CB 4.21Å; F808-F849 HydrophobicContact CE2-CD2 4.48Å; F808-F849 AromaticContact CG-CD2 3.66Å; F808-F849 HydrophobicContact CG-CD2 3.66Å; F808-F849 HydrophobicContact CG-CE2 4.41Å; F808-F849 HydrophobicContact CZ-CB 3.84Å; F808-I852 HydrophobicContact CD2-CD1 4.35Å; F808-I852 HydrophobicContact CE2-CD1 3.7Å
809	S	86.3	Confident	79.9	Confident	12 Å²	12	44.9 Å²	44.9	8%	0.084	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-39.7	174.3	-173.1	0	0	0	0	111.7	K805 L806 F807 A812 K813	K805-S809 WeakPolarHBondContact O-CB 3.26Å; K805-S809 PolarHBondContact O-N 2.89Å; L806-S809 PolarHBondContact O-N 2.82Å; F807-S809 PolarHBondContact O-N 3.04Å; S809-A812 PolarHBondContact O-N 3.42Å; S809-K813 VanDerWaalsContact O-CB 3.32Å; S809-K813 WeakPolarHBondContact O-CB 3.3Å; S809-K813 WeakPolarHBondContact O-CG 3.43Å; S809-K813 PolarHBondContact O-N 3.47Å
810	S	86.9	Confident	78.4	Confident	12 Å²	12	45 Å²	45	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-69.7	-42.3	179	-55.3	0	0	0	0	111.9	E716 L806 F807 F808 K813 M814	E716-S810 WeakPolarHBondContact CG-OG 3.33Å; L806-S810 VanDerWaalsContact O-CB 3.29Å; L806-S810 WeakPolarHBondContact O-CB 3.29Å; L806-S810 PolarHBondContact O-N 2.86Å; L806-S810 PolarHBondContact O-OG 3Å; F807-S810 PolarHBondContact O-N 3.39Å; F808-S810 VanDerWaalsContact C-N 3.32Å; F808-S810 PolarHBondContact O-N 3.14Å; S810-K813 PolarHBondContact O-N 3.19Å; S810-M814 WeakPolarHBondContact O-CB 3.38Å; S810-M814 PolarHBondContact O-N 3.01Å
811	F	87.8	Confident	76.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.4	-53.3	171.1	169.7	-108.1	0	0	0	111.3	G719 W723 L788 F807 F808 K813 M814 M815 V839 I842 L843	G719-F811 WeakPolarHBondContact O-CA 3.48Å; G719-F811 WeakPolarHBondContact O-CB 3.4Å; W723-F811 HydrophobicContact CB-CD2 4.21Å; W723-F811 AromaticContact CD1-CE2 3.72Å; W723-F811 HydrophobicContact CD2-CD2 4.05Å; W723-F811 AromaticContact CD2-CE2 3.54Å; W723-F811 HydrophobicContact CD2-CE2 3.54Å; W723-F811 AromaticContact CE2-CE2 3.48Å; W723-F811 VanDerWaalsContact CE2-CE2 3.48Å; W723-F811 HydrophobicContact CE3-CE2 4.16Å; W723-F811 AromaticContact CG-CD2 3.84Å; W723-F811 HydrophobicContact CG-CD2 3.84Å; W723-F811 AromaticContact CG-CE2 3.67Å; W723-F811 HydrophobicContact CG-CE2 3.67Å; W723-F811 HydrophobicContact CH2-CE2 4.47Å; W723-F811 AromaticContact CZ2-CE2 3.97Å; W723-F811 HydrophobicContact CZ2-CE2 3.97Å; W723-F811 HydrophobicContact CZ2-CZ 4.45Å; W723-F811 AromaticContact NE1-CE2 3.61Å; L788-F811 HydrophobicContact CD1-CB 4.29Å; L788-F811 HydrophobicContact CD1-CD1 3.83Å; L788-F811 HydrophobicContact CD1-CD2 3.73Å; L788-F811 HydrophobicContact CD1-CE1 4.06Å; L788-F811 HydrophobicContact CD1-CE2 3.99Å; L788-F811 HydrophobicContact CD1-CG 3.65Å; L788-F811 HydrophobicContact CD1-CZ 4.13Å; L788-F811 HydrophobicContact CD2-CD1 4.25Å; L788-F811 HydrophobicContact CD2-CE1 3.92Å; L788-F811 HydrophobicContact CD2-CZ 4.28Å; F807-F811 PolarHBondContact O-N 3.15Å; F808-F811 PolarHBondContact O-N 3.1Å; F811-K813 PolarHBondContact O-N 2.57Å; F811-M814 HydrophobicContact CD2-CE 4.24Å; F811-M814 PolarHBondContact O-N 3.32Å; F811-M815 HydrophobicContact CD2-CG 3.92Å; F811-M815 HydrophobicContact CE1-CG 4.36Å; F811-M815 HydrophobicContact CE2-CG 3.42Å; F811-M815 VanDerWaalsContact CE2-CG 3.42Å; F811-M815 HydrophobicContact CE2-SD 4.2Å; F811-M815 HydrophobicContact CZ-CG 3.7Å; F811-M815 WeakPolarHBondContact O-CB 3.35Å; F811-M815 WeakPolarHBondContact O-CG 3.48Å; F811-M815 PolarHBondContact O-N 3.47Å; F811-V839 HydrophobicContact CD1-CG1 4.36Å; F811-V839 HydrophobicContact CE1-CG1 3.97Å; F811-I842 HydrophobicContact CE1-CG2 4.44Å; F811-I842 HydrophobicContact CZ-CB 4.46Å; F811-I842 HydrophobicContact CZ-CD1 4.03Å; F811-I842 HydrophobicContact CZ-CG2 4.11Å; F811-L843 HydrophobicContact CD1-CD2 3.95Å; F811-L843 HydrophobicContact CD1-CG 4.39Å; F811-L843 HydrophobicContact CE1-CD2 3.98Å; F811-L843 HydrophobicContact CE1-CG 4.09Å
812	A	81.9	Confident	74	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-50.4	180	0	0	0	0	0	111.3	Y259 F808 S809 M814 M815 C816 V839	Y259-A812 HydrophobicContact CD1-CB 3.77Å; Y259-A812 HydrophobicContact CD2-CB 4.01Å; Y259-A812 HydrophobicContact CE1-CB 3.49Å; Y259-A812 VanDerWaalsContact CE1-CB 3.49Å; Y259-A812 HydrophobicContact CE2-CB 3.75Å; Y259-A812 HydrophobicContact CG-CB 4.01Å; Y259-A812 VanDerWaalsContact CZ-CB 3.47Å; F808-A812 WeakPolarHBondContact O-CB 3.3Å; F808-A812 PolarHBondContact O-N 2.93Å; S809-A812 PolarHBondContact O-N 3.42Å; A812-M814 VanDerWaalsContact C-N 3.32Å; A812-M814 PolarHBondContact O-N 3.46Å; A812-M815 PolarHBondContact O-N 2.99Å; A812-C816 VanDerWaalsContact O-CB 3.25Å; A812-C816 WeakPolarHBondContact O-CB 3.3Å; A812-C816 PolarHBondContact O-N 3.32Å; A812-C816 PolarHBondContact O-SG 2.93Å; A812-V839 HydrophobicContact CB-CG1 3.83Å
813	K	77.9	Confident	72	Confident	124 Å²	124	37.3 Å²	37.3	54%	0.539	18%	0.183	S	C	.	.	H	α-helix	trans	-55.7	-45	178.1	-76.9	173.6	-179.8	-177.4	0	112.4	S809 S810 F811 C816 T817	S809-K813 VanDerWaalsContact O-CB 3.32Å; S809-K813 WeakPolarHBondContact O-CB 3.3Å; S809-K813 WeakPolarHBondContact O-CG 3.43Å; S809-K813 PolarHBondContact O-N 3.47Å; S810-K813 PolarHBondContact O-N 3.19Å; F811-K813 PolarHBondContact O-N 2.57Å; K813-C816 PolarHBondContact O-N 2.87Å; K813-T817 VanDerWaalsContact O-CG2 3.28Å; K813-T817 WeakPolarHBondContact O-CG2 3.41Å; K813-T817 PolarHBondContact O-N 3.19Å; K813-T817 VanDerWaalsContact O-N 3.16Å
814	M	78.6	Confident	69.8	Low	5 Å²	5	37.5 Å²	37.5	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-49.8	177.5	176.3	-166.7	72.9	0	0	111.7	Y707 T720 W723 F724 S810 F811 A812 C816 T817	Y707-M814 HydrophobicContact CD1-CG 3.83Å; Y707-M814 HydrophobicContact CD1-SD 3.84Å; Y707-M814 HydrophobicContact CE1-CG 4.13Å; T720-M814 WeakPolarHBondContact CA-SD 3.49Å; T720-M814 VanDerWaalsContact CB-SD 3.53Å; T720-M814 HydrophobicContact CG2-CB 3.93Å; T720-M814 HydrophobicContact CG2-CG 4.35Å; T720-M814 HydrophobicContact CG2-SD 3.85Å; W723-M814 HydrophobicContact CD2-CE 4.38Å; W723-M814 HydrophobicContact CE3-CE 3.56Å; W723-M814 HydrophobicContact CZ3-CE 4.02Å; F724-M814 HydrophobicContact CD2-CE 4.08Å; F724-M814 HydrophobicContact CD2-SD 3.94Å; F724-M814 HydrophobicContact CE2-CE 3.71Å; F724-M814 HydrophobicContact CE2-CG 4.46Å; F724-M814 HydrophobicContact CE2-SD 3.5Å; F724-M814 WeakPolarHBondContact CE2-SD 3.29Å; F724-M814 HydrophobicContact CZ-CE 4.49Å; S810-M814 WeakPolarHBondContact O-CB 3.38Å; S810-M814 PolarHBondContact O-N 3.01Å; F811-M814 HydrophobicContact CD2-CE 4.24Å; F811-M814 PolarHBondContact O-N 3.32Å; A812-M814 VanDerWaalsContact C-N 3.32Å; A812-M814 PolarHBondContact O-N 3.46Å; M814-C816 PolarHBondContact O-N 2.83Å; M814-T817 WeakPolarHBondContact O-CB 3.35Å; M814-T817 PolarHBondContact O-N 3.01Å; M814-T817 PolarHBondContact O-OG1 2.88Å
815	M	73.5	Confident	67.6	Low	26 Å²	26	36.4 Å²	36.4	13%	0.128	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-29.2	179.5	-72.7	-64.2	-77.9	0	0	113	W723 F811 A812 T817 Y835 V839 I842	W723-M815 HydrophobicContact CE3-SD 4.2Å; W723-M815 HydrophobicContact CH2-CE 3.48Å; W723-M815 VanDerWaalsContact CH2-CE 3.48Å; W723-M815 HydrophobicContact CH2-SD 3.23Å; W723-M815 WeakPolarHBondContact CH2-SD 3.17Å; W723-M815 HydrophobicContact CZ2-CE 3.97Å; W723-M815 HydrophobicContact CZ2-SD 4.04Å; W723-M815 HydrophobicContact CZ3-CE 4.25Å; W723-M815 HydrophobicContact CZ3-SD 3.36Å; W723-M815 WeakPolarHBondContact CZ3-SD 3.44Å; F811-M815 HydrophobicContact CD2-CG 3.92Å; F811-M815 HydrophobicContact CE1-CG 4.36Å; F811-M815 HydrophobicContact CE2-CG 3.42Å; F811-M815 VanDerWaalsContact CE2-CG 3.42Å; F811-M815 HydrophobicContact CE2-SD 4.2Å; F811-M815 HydrophobicContact CZ-CG 3.7Å; F811-M815 WeakPolarHBondContact O-CB 3.35Å; F811-M815 WeakPolarHBondContact O-CG 3.48Å; F811-M815 PolarHBondContact O-N 3.47Å; A812-M815 PolarHBondContact O-N 2.99Å; M815-T817 VanDerWaalsContact C-N 3.29Å; M815-Y835 HydrophobicContact CE-CD1 3.97Å; M815-Y835 HydrophobicContact CE-CE1 3.75Å; M815-V839 HydrophobicContact CB-CG2 3.54Å; M815-I842 HydrophobicContact CE-CD1 3.81Å
816	C	67	Low	65.2	Low	27 Å²	27	33.8 Å²	33.8	18%	0.182	17%	0.171	C	C	.	.	H	α-helix	trans	-77	-15.8	174.1	-67.4	0	0	0	0	113.4	C256 A812 K813 M814 R818	C256-C816 WeakPolarHBondContact CA-SG 3.42Å; C256-C816 HydrophobicContact CB-CB 3.53Å; C256-C816 WeakPolarHBondContact CB-SG 3.32Å; C256-C816 WeakPolarHBondContact SG-CB 3.18Å; C256-C816 CovalentContact SG-SG 2Å; C256-C816 PolarHBondContact SG-SG 3.35Å; A812-C816 VanDerWaalsContact O-CB 3.25Å; A812-C816 WeakPolarHBondContact O-CB 3.3Å; A812-C816 PolarHBondContact O-N 3.32Å; A812-C816 PolarHBondContact O-SG 2.93Å; K813-C816 PolarHBondContact O-N 2.87Å; M814-C816 PolarHBondContact O-N 2.83Å; C816-R818 PolarHBondContact O-N 3.49Å
817	T	55.1	Low	62.6	Low	24 Å²	24	37.9 Å²	37.9	15%	0.147	19%	0.193	C	C	.	.	S	Bend	trans	-63.8	128.1	166.9	72.8	0	0	0	0	107.1	P706 K813 M814 M815 Y819	P706-T817 HydrophobicContact CB-CG2 4.33Å; P706-T817 HydrophobicContact CG-CG2 4Å; K813-T817 VanDerWaalsContact O-CG2 3.28Å; K813-T817 WeakPolarHBondContact O-CG2 3.41Å; K813-T817 PolarHBondContact O-N 3.19Å; K813-T817 VanDerWaalsContact O-N 3.16Å; M814-T817 WeakPolarHBondContact O-CB 3.35Å; M814-T817 PolarHBondContact O-N 3.01Å; M814-T817 PolarHBondContact O-OG1 2.88Å; M815-T817 VanDerWaalsContact C-N 3.29Å; T817-Y819 PolarHBondContact O-N 3.46Å; T817-Y819 VanDerWaalsContact O-O 3.13Å
818	R	47.2	Very low	59.8	Low	152 Å²	152	41.2 Å²	41.2	57%	0.574	21%	0.21	S	C	*	.	S	Bend	trans	-56.7	0.2	-177.1	-143.8	-179.7	-177.7	121.1	4.6	114.8	C816	C816-R818 PolarHBondContact O-N 3.49Å
819	Y	46.2	Very low	57	Low	44 Å²	44	47 Å²	47	17%	0.173	24%	0.237	C	C	.	.			trans	-67.9	147.8	171.1	-88	-70.9	0	0	0	111.3	P276 T277 P685 Y707 T817	P276-Y819 HydrophobicContact CB-CD2 4.48Å; P276-Y819 HydrophobicContact CB-CE2 3.61Å; P276-Y819 HydrophobicContact CG-CD2 3.96Å; P276-Y819 HydrophobicContact CG-CE2 3.57Å; P276-Y819 VanDerWaalsContact O-CE2 3.29Å; P276-Y819 WeakPolarHBondContact O-CE2 3.38Å; P276-Y819 PolarHBondContact O-OH 2.95Å; T277-Y819 WeakPolarHBondContact CA-OH 3.41Å; T277-Y819 HydrophobicContact CG2-CD1 3.75Å; T277-Y819 HydrophobicContact CG2-CD2 4.14Å; T277-Y819 HydrophobicContact CG2-CE1 3.76Å; T277-Y819 HydrophobicContact CG2-CE2 4.17Å; T277-Y819 HydrophobicContact CG2-CG 3.95Å; T277-Y819 VanDerWaalsContact N-CZ 3.34Å; T277-Y819 PolarHBondContact N-OH 2.89Å; P685-Y819 HydrophobicContact CG-CD1 4.38Å; P685-Y819 HydrophobicContact CG-CE1 4.48Å; Y707-Y819 WeakPolarHBondContact OH-CB 3.08Å; T817-Y819 PolarHBondContact O-N 3.46Å; T817-Y819 VanDerWaalsContact O-O 3.13Å
820	S	44.7	Very low	54.3	Low	12 Å²	12	49.1 Å²	49.1	8%	0.084	25%	0.253	C	S	.	.			trans	114.4	9.5	141.9	-164.3	0	0	0	0	119	D822 V823 Y835	S820-D822 PolarHBondContact O-N 3.03Å; S820-V823 VanDerWaalsContact CA-CG2 3.43Å; S820-V823 VanDerWaalsContact CB-CG2 3.46Å; S820-V823 PolarHBondContact O-N 3.49Å; S820-V823 WeakPolarHBondContact OG-CB 3.3Å; S820-V823 WeakPolarHBondContact OG-CG1 3.4Å; S820-V823 WeakPolarHBondContact OG-CG2 3.48Å; S820-Y835 WeakPolarHBondContact O-CD2 3.48Å; S820-Y835 WeakPolarHBondContact O-CE2 3.35Å; S820-Y835 WeakPolarHBondContact OG-CE2 3.27Å
821	A	40.7	Very low	51.7	Low	26 Å²	26	54.4 Å²	54.4	22%	0.215	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46	-43.1	159.5	0	0	0	0	0	112.2	S833 R834	A821-S833 CarbonylContact C-O 3.49Å; A821-S833 VanDerWaalsContact CA-O 3.29Å; A821-S833 WeakPolarHBondContact CA-O 3.11Å; A821-S833 WeakPolarHBondContact CB-O 3.29Å; A821-R834 VanDerWaalsContact CB-CA 3.49Å; A821-R834 HydrophobicContact CB-CB 4.33Å; A821-R834 HydrophobicContact CB-CG 4.05Å
822	D	42.7	Very low	49.1	Very low	107 Å²	107	59.3 Å²	59.3	57%	0.572	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.3	-171	-54.7	-40.7	0	0	0	114.7	S820 I824	S820-D822 PolarHBondContact O-N 3.03Å; D822-I824 VanDerWaalsContact C-N 3.29Å; D822-I824 PolarHBondContact O-N 2.95Å
823	V	46.9	Very low	46.9	Very low	7 Å²	7	61.1 Å²	61.1	4%	0.042	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-28.1	-175.9	168.4	0	0	0	0	110.8	P685 Y686 I687 L702 F724 S820 T825	P685-V823 HydrophobicContact CB-CG1 4.13Å; P685-V823 HydrophobicContact CB-CG2 3.88Å; P685-V823 HydrophobicContact CG-CG2 3.75Å; P685-V823 WeakPolarHBondContact O-CA 3.23Å; P685-V823 WeakPolarHBondContact O-CB 3.39Å; P685-V823 WeakPolarHBondContact O-CG1 3.44Å; P685-V823 WeakPolarHBondContact O-CG2 3.33Å; Y686-V823 CarbonylContact C-O 3.57Å; Y686-V823 WeakPolarHBondContact CA-O 3.38Å; Y686-V823 VanDerWaalsContact CB-O 3.23Å; Y686-V823 WeakPolarHBondContact CB-O 3.39Å; I687-V823 PolarHBondContact N-O 3.09Å; L702-V823 HydrophobicContact CD2-CG1 4.11Å; F724-V823 HydrophobicContact CE1-CG1 3.87Å; F724-V823 HydrophobicContact CZ-CG1 4.27Å; S820-V823 VanDerWaalsContact CA-CG2 3.43Å; S820-V823 VanDerWaalsContact CB-CG2 3.46Å; S820-V823 PolarHBondContact O-N 3.49Å; S820-V823 WeakPolarHBondContact OG-CB 3.3Å; S820-V823 WeakPolarHBondContact OG-CG1 3.4Å; S820-V823 WeakPolarHBondContact OG-CG2 3.48Å; V823-T825 PolarHBondContact O-N 3.08Å
824	I	45.9	Very low	45.1	Very low	11 Å²	11	63.2 Å²	63.2	6%	0.056	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-98.5	93.4	173.5	-64	150.4	0	0	0	107.5	I687 D822 T826 Y835	I687-I824 HydrophobicContact CG2-CG1 3.86Å; D822-I824 VanDerWaalsContact C-N 3.29Å; D822-I824 PolarHBondContact O-N 2.95Å; I824-T826 VanDerWaalsContact C-N 3.25Å; I824-T826 HydrophobicContact CG2-CG2 3.41Å; I824-T826 VanDerWaalsContact CG2-CG2 3.41Å; I824-T826 PolarHBondContact O-N 3.17Å; I824-Y835 HydrophobicContact CD1-CE1 4.39Å; I824-Y835 HydrophobicContact CD1-CE2 3.9Å; I824-Y835 VanDerWaalsContact CD1-CZ 3.48Å; I824-Y835 WeakPolarHBondContact CD1-OH 3.36Å
825	T	44.8	Very low	43.6	Very low	30 Å²	30	65.5 Å²	65.5	18%	0.184	34%	0.341	C	S	.	.			trans	-80.8	82.4	157.4	53.2	0	0	0	0	107.3	V823	V823-T825 PolarHBondContact O-N 3.08Å
826	T	40.2	Very low	42.7	Very low	26 Å²	26	67.9 Å²	67.9	16%	0.16	35%	0.351	C	S	.	.			trans	-75.8	158.8	155.8	48.5	0	0	0	0	107.7	Y731 I824 L828 Q829	Y731-T826 HydrophobicContact CD1-CG2 4.07Å; Y731-T826 HydrophobicContact CE1-CG2 3.65Å; Y731-T826 HydrophobicContact CE2-CG2 4.27Å; I824-T826 VanDerWaalsContact C-N 3.25Å; I824-T826 HydrophobicContact CG2-CG2 3.41Å; I824-T826 VanDerWaalsContact CG2-CG2 3.41Å; I824-T826 PolarHBondContact O-N 3.17Å; T826-L828 PolarHBondContact O-N 3.49Å; T826-Q829 PolarHBondContact O-N 3.1Å
827	N	36.5	Very low	42.9	Very low	151 Å²	151	67.2 Å²	67.2	81%	0.807	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	1.2	174.8	-72	-23.8	0	0	0	114
828	L	33.8	Very low	43.8	Very low	69 Å²	69	67.4 Å²	67.4	36%	0.361	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	28.9	-178.3	-65.6	172.2	0	0	0	113.3	Y731 T776 T826 S830	Y731-L828 WeakPolarHBondContact OH-CD1 3.19Å; T776-L828 HydrophobicContact CG2-CB 3.83Å; T776-L828 HydrophobicContact CG2-CD1 3.5Å; T776-L828 VanDerWaalsContact CG2-CD1 3.5Å; T776-L828 HydrophobicContact CG2-CD2 4.36Å; T776-L828 HydrophobicContact CG2-CG 4.1Å; T826-L828 PolarHBondContact O-N 3.49Å; L828-S830 PolarHBondContact O-N 2.83Å
829	Q	32.7	Very low	45.3	Very low	121 Å²	121	60.2 Å²	60.2	57%	0.565	32%	0.321	S	S	*	.			trans	-57.3	85.2	169.6	-84.2	-161.2	-35.6	0	0	110.9	T826	T826-Q829 PolarHBondContact O-N 3.1Å
830	S	29	Very low	47	Very low	58 Å²	58	58.3 Å²	58.3	41%	0.406	31%	0.313	S	S	.	.			trans	-72.8	138.2	145.7	71.7	0	0	0	0	106.2	L828 N832 S833	L828-S830 PolarHBondContact O-N 2.83Å; S830-N832 PolarHBondContact O-N 3.04Å; S830-S833 PolarHBondContact O-N 3.14Å
831	S	32.3	Very low	49	Very low	122 Å²	122	59.2 Å²	59.2	85%	0.853	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	8.9	-176.6	60.1	0	0	0	0	115.4
832	N	33.2	Very low	51.2	Low	104 Å²	104	58 Å²	58	56%	0.556	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	11.8	-174	-81.3	-18.9	0	0	0	113.5	S830 R834	S830-N832 PolarHBondContact O-N 3.04Å; N832-R834 PolarHBondContact O-N 3.21Å
833	S	36.3	Very low	53.5	Low	37 Å²	37	53 Å²	53	26%	0.259	28%	0.279	S	S	.	.			trans	-73.3	52.4	174.6	71.4	0	0	0	0	112.4	A821 S830 Y835	A821-S833 CarbonylContact C-O 3.49Å; A821-S833 VanDerWaalsContact CA-O 3.29Å; A821-S833 WeakPolarHBondContact CA-O 3.11Å; A821-S833 WeakPolarHBondContact CB-O 3.29Å; S830-S833 PolarHBondContact O-N 3.14Å; S833-Y835 PolarHBondContact O-N 2.95Å
834	R	39.3	Very low	55.5	Low	169 Å²	169	53.7 Å²	53.7	64%	0.638	28%	0.282	S	S	*	.	S	Bend	trans	-55	134.9	148.1	-79.1	-177.8	-78.6	178	-2.4	106.3	A821 N832 K836	A821-R834 VanDerWaalsContact CB-CA 3.49Å; A821-R834 HydrophobicContact CB-CB 4.33Å; A821-R834 HydrophobicContact CB-CG 4.05Å; N832-R834 PolarHBondContact O-N 3.21Å; R834-K836 VanDerWaalsContact C-N 3.3Å; R834-K836 WeakPolarHBondContact O-CG 3.44Å; R834-K836 PolarHBondContact O-N 3.47Å
835	Y	47.5	Very low	57.7	Low	53 Å²	53	53.1 Å²	53.1	21%	0.208	28%	0.279	C	S	.	.			trans	-49.8	106.5	166.7	-95.8	-86.7	0	0	0	106.7	W723 M815 S820 I824 S833 F837	W723-Y835 AromaticContact CH2-CE1 3.96Å; W723-Y835 HydrophobicContact CH2-CE1 3.96Å; W723-Y835 AromaticContact CH2-CZ 3.89Å; W723-Y835 WeakPolarHBondContact CH2-OH 3.48Å; M815-Y835 HydrophobicContact CE-CD1 3.97Å; M815-Y835 HydrophobicContact CE-CE1 3.75Å; S820-Y835 WeakPolarHBondContact O-CD2 3.48Å; S820-Y835 WeakPolarHBondContact O-CE2 3.35Å; S820-Y835 WeakPolarHBondContact OG-CE2 3.27Å; I824-Y835 HydrophobicContact CD1-CE1 4.39Å; I824-Y835 HydrophobicContact CD1-CE2 3.9Å; I824-Y835 VanDerWaalsContact CD1-CZ 3.48Å; I824-Y835 WeakPolarHBondContact CD1-OH 3.36Å; S833-Y835 PolarHBondContact O-N 2.95Å; Y835-F837 VanDerWaalsContact C-N 3.26Å
836	K	55.7	Low	59.9	Low	75 Å²	75	51.9 Å²	51.9	33%	0.326	27%	0.271	S	S	.	.			trans	-81.3	-19.6	-172.8	-64.4	-174.8	178.2	164.2	0	110.6	Y773 D777 R834	Y773-K836 HydrophobicContact CD1-CD 4.05Å; Y773-K836 HydrophobicContact CE1-CB 3.51Å; Y773-K836 HydrophobicContact CE1-CD 3.5Å; Y773-K836 VanDerWaalsContact CE1-CD 3.5Å; Y773-K836 HydrophobicContact CE1-CG 4.14Å; Y773-K836 PolarHBondContact OH-O 3.39Å; D777-K836 IonicContact OD1-NZ 2.9Å; D777-K836 PolarHBondContact OD1-NZ 2.89Å; D777-K836 IonicContact OD2-NZ 3.32Å; D777-K836 PolarHBondContact OD2-NZ 3.43Å; R834-K836 VanDerWaalsContact C-N 3.3Å; R834-K836 WeakPolarHBondContact O-CG 3.44Å; R834-K836 PolarHBondContact O-N 3.47Å
837	F	69.9	Low	62.3	Low	13 Å²	13	54 Å²	54	6%	0.057	28%	0.279	C	S	.	.	S	Bend	trans	-98.1	134.5	-171.7	-49.5	-65	0	0	0	111.6	F770 Y773 D777 L781 Y835 E841	F770-F837 AromaticContact CD1-CD1 3.97Å; F770-F837 HydrophobicContact CD1-CD1 3.97Å; F770-F837 AromaticContact CD1-CE1 3.75Å; F770-F837 HydrophobicContact CD1-CE1 3.75Å; F770-F837 AromaticContact CE1-CD1 3.6Å; F770-F837 HydrophobicContact CE1-CD1 3.6Å; F770-F837 AromaticContact CE1-CE1 3.86Å; F770-F837 HydrophobicContact CE1-CE1 3.86Å; Y773-F837 AromaticContact CD1-CE1 3.46Å; Y773-F837 HydrophobicContact CD1-CE1 3.46Å; Y773-F837 VanDerWaalsContact CD1-CE1 3.46Å; Y773-F837 AromaticContact CD1-CZ 3.55Å; Y773-F837 HydrophobicContact CD1-CZ 3.55Å; Y773-F837 AromaticContact CE1-CD1 3.98Å; Y773-F837 HydrophobicContact CE1-CD1 3.98Å; Y773-F837 AromaticContact CE1-CE1 3.2Å; Y773-F837 HydrophobicContact CE1-CE1 3.2Å; Y773-F837 AromaticContact CE1-CZ 3.59Å; Y773-F837 HydrophobicContact CE1-CZ 3.59Å; Y773-F837 HydrophobicContact CG-CE1 4.26Å; Y773-F837 AromaticContact CZ-CE1 3.84Å; D777-F837 HydrophobicContact CB-CZ 4.09Å; D777-F837 WeakPolarHBondContact O-CE2 3.22Å; D777-F837 WeakPolarHBondContact O-CZ 3.25Å; L781-F837 HydrophobicContact CB-CD2 3.9Å; L781-F837 HydrophobicContact CB-CE1 4.21Å; L781-F837 HydrophobicContact CB-CE2 3.58Å; L781-F837 HydrophobicContact CB-CG 4.37Å; L781-F837 HydrophobicContact CB-CZ 3.73Å; L781-F837 HydrophobicContact CD1-CB 4.05Å; L781-F837 HydrophobicContact CD1-CD1 4.2Å; L781-F837 HydrophobicContact CD1-CD2 3.95Å; L781-F837 HydrophobicContact CD1-CE2 4.49Å; L781-F837 HydrophobicContact CD1-CG 3.78Å; L781-F837 HydrophobicContact CD2-CD1 3.92Å; L781-F837 HydrophobicContact CD2-CE1 3.8Å; L781-F837 HydrophobicContact CD2-CG 4.32Å; L781-F837 HydrophobicContact CD2-CZ 4.17Å; L781-F837 HydrophobicContact CG-CD1 4.44Å; L781-F837 HydrophobicContact CG-CD2 4.37Å; L781-F837 HydrophobicContact CG-CE1 4.45Å; L781-F837 HydrophobicContact CG-CE2 4.42Å; L781-F837 HydrophobicContact CG-CG 4.37Å; L781-F837 HydrophobicContact CG-CZ 4.44Å; Y835-F837 VanDerWaalsContact C-N 3.26Å; F837-E841 WeakPolarHBondContact CA-OE2 3.28Å; F837-E841 HydrophobicContact CB-CB 4.35Å
838	S	74.1	Confident	64.9	Low	29 Å²	29	49.8 Å²	49.8	20%	0.203	26%	0.255	C	S	.	.			trans	-71.1	159.4	173.8	71.7	0	0	0	0	111.1	N840 E841 I842	S838-N840 PolarHBondContact O-N 3.45Å; S838-E841 PolarHBondContact N-OE2 3.41Å; S838-E841 VanDerWaalsContact N-OE2 3.08Å; S838-E841 WeakPolarHBondContact O-CB 3.38Å; S838-E841 PolarHBondContact O-N 2.9Å; S838-E841 WeakPolarHBondContact OG-CG 3.47Å; S838-E841 PolarHBondContact OG-N 2.83Å; S838-E841 VanDerWaalsContact OG-N 3.16Å; S838-I842 PolarHBondContact O-N 3.3Å
839	V	79.4	Confident	67.7	Low	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-55	-37.5	173.8	-178.7	0	0	0	0	111	A255 Y259 F811 A812 M815 E841 I842 L843	A255-V839 HydrophobicContact CB-CG2 4.21Å; Y259-V839 HydrophobicContact CD2-CG1 4.28Å; F811-V839 HydrophobicContact CD1-CG1 4.36Å; F811-V839 HydrophobicContact CE1-CG1 3.97Å; A812-V839 HydrophobicContact CB-CG1 3.83Å; M815-V839 HydrophobicContact CB-CG2 3.54Å; V839-E841 VanDerWaalsContact C-N 3.35Å; V839-I842 PolarHBondContact O-N 2.74Å; V839-L843 HydrophobicContact CG1-CD1 3.64Å; V839-L843 HydrophobicContact CG1-CG 4.1Å; V839-L843 WeakPolarHBondContact O-CG 3.47Å; V839-L843 PolarHBondContact O-N 3.3Å
840	N	82	Confident	70.4	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-68.5	-34	179.9	-69.3	-16.6	0	0	0	113.2	D258 Y259 S262 S838 I842 L843 K844 M861	D258-N840 WeakPolarHBondContact CB-ND2 3.47Å; D258-N840 PolarHBondContact O-ND2 3.13Å; Y259-N840 WeakPolarHBondContact CA-OD1 3.28Å; Y259-N840 PolarHBondContact N-ND2 3.21Å; S262-N840 PolarHBondContact OG-ND2 3.37Å; S838-N840 PolarHBondContact O-N 3.45Å; N840-I842 PolarHBondContact O-N 2.93Å; N840-L843 PolarHBondContact O-N 3Å; N840-K844 VanDerWaalsContact O-CB 3.3Å; N840-K844 WeakPolarHBondContact O-CB 3.15Å; N840-K844 WeakPolarHBondContact O-CG 3.48Å; N840-K844 PolarHBondContact O-N 2.87Å; N840-M861 HydrophobicContact CB-CE 4.03Å; N840-M861 HydrophobicContact CB-SD 3.66Å; N840-M861 WeakPolarHBondContact OD1-CE 3.34Å
841	E	85.5	Confident	73.3	Confident	31 Å²	31	42.9 Å²	42.9	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-24.2	175.1	-81.7	-178.8	153.1	0	0	112.9	S769 F770 F837 S838 V839 H845	S769-E841 WeakPolarHBondContact CB-OE1 3.4Å; F770-E841 HydrophobicContact CE1-CB 4.16Å; F770-E841 HydrophobicContact CE1-CG 3.91Å; F770-E841 VanDerWaalsContact CE1-OE1 3.23Å; F770-E841 WeakPolarHBondContact CE1-OE1 3.32Å; F770-E841 HydrophobicContact CZ-CB 3.82Å; F770-E841 HydrophobicContact CZ-CG 3.72Å; F837-E841 WeakPolarHBondContact CA-OE2 3.28Å; F837-E841 HydrophobicContact CB-CB 4.35Å; S838-E841 PolarHBondContact N-OE2 3.41Å; S838-E841 VanDerWaalsContact N-OE2 3.08Å; S838-E841 WeakPolarHBondContact O-CB 3.38Å; S838-E841 PolarHBondContact O-N 2.9Å; S838-E841 WeakPolarHBondContact OG-CG 3.47Å; S838-E841 PolarHBondContact OG-N 2.83Å; S838-E841 VanDerWaalsContact OG-N 3.16Å; V839-E841 VanDerWaalsContact C-N 3.35Å; E841-H845 PolarHBondContact O-CD2 2.85Å
842	I	88.3	Confident	76	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-85.1	-51.4	170.9	-56.7	166.6	0	0	0	109.8	W723 L781 D784 I785 L788 F811 M815 S838 V839 N840 K844 H845	W723-I842 HydrophobicContact CZ2-CD1 4.49Å; L781-I842 HydrophobicContact CD1-CG1 4.07Å; D784-I842 HydrophobicContact CB-CD1 3.86Å; D784-I842 HydrophobicContact CB-CG1 4.09Å; I785-I842 HydrophobicContact CG1-CG2 4.19Å; L788-I842 HydrophobicContact CB-CG2 4.43Å; L788-I842 HydrophobicContact CD2-CG2 3.91Å; F811-I842 HydrophobicContact CE1-CG2 4.44Å; F811-I842 HydrophobicContact CZ-CB 4.46Å; F811-I842 HydrophobicContact CZ-CD1 4.03Å; F811-I842 HydrophobicContact CZ-CG2 4.11Å; M815-I842 HydrophobicContact CE-CD1 3.81Å; S838-I842 PolarHBondContact O-N 3.3Å; V839-I842 PolarHBondContact O-N 2.74Å; N840-I842 PolarHBondContact O-N 2.93Å; I842-K844 PolarHBondContact O-N 2.77Å; I842-H845 PolarHBondContact O-N 3.4Å
843	L	89.8	Confident	78.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-33.1	-172.4	-74	176.9	0	0	0	114.3	Y259 L788 F808 F811 V839 N840 H845 S846 F849 M861	Y259-L843 HydrophobicContact CD2-CD1 3.64Å; Y259-L843 HydrophobicContact CE2-CD1 3.38Å; L788-L843 HydrophobicContact CD2-CD2 3.73Å; F808-L843 HydrophobicContact CD1-CD2 3.64Å; F808-L843 HydrophobicContact CE1-CD2 4.1Å; F811-L843 HydrophobicContact CD1-CD2 3.95Å; F811-L843 HydrophobicContact CD1-CG 4.39Å; F811-L843 HydrophobicContact CE1-CD2 3.98Å; F811-L843 HydrophobicContact CE1-CG 4.09Å; V839-L843 HydrophobicContact CG1-CD1 3.64Å; V839-L843 HydrophobicContact CG1-CG 4.1Å; V839-L843 WeakPolarHBondContact O-CG 3.47Å; V839-L843 PolarHBondContact O-N 3.3Å; N840-L843 PolarHBondContact O-N 3Å; L843-H845 PolarHBondContact O-N 3.26Å; L843-H845 VanDerWaalsContact O-N 3.09Å; L843-S846 PolarHBondContact O-N 2.83Å; L843-F849 HydrophobicContact CB-CD1 4.15Å; L843-F849 HydrophobicContact CB-CE1 4.27Å; L843-F849 HydrophobicContact CB-CG 4.33Å; L843-F849 HydrophobicContact CD1-CD2 4.32Å; L843-F849 HydrophobicContact CD1-CE2 3.89Å; L843-F849 HydrophobicContact CD1-CZ 4.02Å; L843-F849 HydrophobicContact CD2-CB 4.49Å; L843-F849 HydrophobicContact CD2-CD2 3.82Å; L843-F849 HydrophobicContact CD2-CE2 4.23Å; L843-F849 HydrophobicContact CD2-CG 4.08Å; L843-M861 HydrophobicContact CB-CE 3.67Å; L843-M861 HydrophobicContact CD1-CE 4.33Å
844	K	89.5	Confident	81	Confident	22 Å²	22	42 Å²	42	10%	0.096	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.3	179.8	72.2	-176.1	-173.4	177.1	0	112.9	Q767 N840 I842 P863 K866	Q767-K844 VanDerWaalsContact OE1-CE 3.3Å; N840-K844 VanDerWaalsContact O-CB 3.3Å; N840-K844 WeakPolarHBondContact O-CB 3.15Å; N840-K844 WeakPolarHBondContact O-CG 3.48Å; N840-K844 PolarHBondContact O-N 2.87Å; I842-K844 PolarHBondContact O-N 2.77Å; K844-P863 HydrophobicContact CB-CG 4.35Å; K844-P863 WeakPolarHBondContact O-CD 3.35Å; K844-K866 VanDerWaalsContact O-CE 3.23Å; K844-K866 WeakPolarHBondContact O-CE 3.14Å
845	H	91.8	Very high	83.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-17.3	177.3	-64.3	-76.8	0	0	0	113.4	Q767 I785 E841 I842 L843 Q847 C867 L868	Q767-H845 PolarHBondContact NE2-CE1 2.75Å; I785-H845 HydrophobicContact CD1-CB 4.24Å; I785-H845 VanDerWaalsContact CD1-CD2 3.44Å; I785-H845 WeakPolarHBondContact CD1-CD2 3.38Å; I785-H845 HydrophobicContact CG1-CB 4.36Å; I785-H845 HydrophobicContact CG2-CB 3.85Å; E841-H845 PolarHBondContact O-CD2 2.85Å; I842-H845 PolarHBondContact O-N 3.4Å; L843-H845 PolarHBondContact O-N 3.26Å; L843-H845 VanDerWaalsContact O-N 3.09Å; H845-Q847 PolarHBondContact O-N 2.98Å; H845-C867 PolarHBondContact ND1-N 3.23Å; H845-C867 VanDerWaalsContact ND1-N 3.16Å; H845-L868 WeakPolarHBondContact O-CD2 3.41Å
846	S	91.9	Very high	85.3	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.021	18%	0.177	C	C	.	.			trans	-79.7	119.6	177	171.7	0	0	0	0	110.9	L843 E848 F849 S850 K866	L843-S846 PolarHBondContact O-N 2.83Å; S846-E848 VanDerWaalsContact C-N 3.3Å; S846-E848 PolarHBondContact OG-N 3.49Å; S846-E848 PolarHBondContact OG-OE2 3.06Å; S846-F849 PolarHBondContact OG-N 3.33Å; S846-S850 PolarHBondContact O-N 2.93Å; S846-S850 PolarHBondContact O-OG 2.8Å; S846-K866 PolarHBondContact O-NZ 2.91Å
847	Q	90.8	Very high	86.9	Confident	70 Å²	70	37.3 Å²	37.3	33%	0.327	19%	0.194	S	C	.	.	H	α-helix	trans	-68.6	-34.8	173	-171.2	57.3	43.3	0	0	111.6	H845 S850 N851	H845-Q847 PolarHBondContact O-N 2.98Å; Q847-S850 PolarHBondContact O-N 2.93Å; Q847-N851 PolarHBondContact NE2-OD1 3.18Å; Q847-N851 WeakPolarHBondContact O-CB 3.18Å; Q847-N851 PolarHBondContact O-N 3.17Å; Q847-N851 PolarHBondContact O-ND2 3.34Å; Q847-N851 PolarHBondContact O-OD1 3.46Å
848	E	91.3	Very high	87.7	Confident	63 Å²	63	39 Å²	39	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-44.4	178.4	-56.3	79.6	-176.8	0	0	110.9	F792 F808 S846 N851 I852	F792-E848 HydrophobicContact CD1-CB 3.87Å; F792-E848 HydrophobicContact CD1-CG 3.84Å; F792-E848 HydrophobicContact CE1-CB 3.5Å; F792-E848 HydrophobicContact CE1-CG 3.62Å; F792-E848 HydrophobicContact CZ-CB 4.11Å; F808-E848 HydrophobicContact CZ-CB 4.32Å; S846-E848 VanDerWaalsContact C-N 3.3Å; S846-E848 PolarHBondContact OG-N 3.49Å; S846-E848 PolarHBondContact OG-OE2 3.06Å; E848-N851 PolarHBondContact O-N 2.9Å; E848-I852 WeakPolarHBondContact O-CB 3.32Å; E848-I852 WeakPolarHBondContact O-CD1 3.31Å; E848-I852 VanDerWaalsContact O-CG1 3.29Å; E848-I852 WeakPolarHBondContact O-CG1 3.32Å; E848-I852 PolarHBondContact O-N 3.24Å
849	F	91.1	Very high	88.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-53.1	172.9	176.9	-99	0	0	0	111.1	Y259 F808 L843 S846 N851 I852 H853 M861	Y259-F849 HydrophobicContact CE2-CE2 4.21Å; Y259-F849 HydrophobicContact CE2-CZ 4.17Å; F808-F849 HydrophobicContact CB-CD2 3.97Å; F808-F849 HydrophobicContact CB-CE2 4.23Å; F808-F849 HydrophobicContact CD1-CB 4.28Å; F808-F849 AromaticContact CD1-CD2 3.77Å; F808-F849 HydrophobicContact CD1-CD2 3.77Å; F808-F849 HydrophobicContact CD1-CG 4.47Å; F808-F849 HydrophobicContact CD2-CD2 4.04Å; F808-F849 HydrophobicContact CE1-CB 3.87Å; F808-F849 HydrophobicContact CE1-CD2 4.24Å; F808-F849 HydrophobicContact CE2-CB 4.21Å; F808-F849 HydrophobicContact CE2-CD2 4.48Å; F808-F849 AromaticContact CG-CD2 3.66Å; F808-F849 HydrophobicContact CG-CD2 3.66Å; F808-F849 HydrophobicContact CG-CE2 4.41Å; F808-F849 HydrophobicContact CZ-CB 3.84Å; L843-F849 HydrophobicContact CB-CD1 4.15Å; L843-F849 HydrophobicContact CB-CE1 4.27Å; L843-F849 HydrophobicContact CB-CG 4.33Å; L843-F849 HydrophobicContact CD1-CD2 4.32Å; L843-F849 HydrophobicContact CD1-CE2 3.89Å; L843-F849 HydrophobicContact CD1-CZ 4.02Å; L843-F849 HydrophobicContact CD2-CB 4.49Å; L843-F849 HydrophobicContact CD2-CD2 3.82Å; L843-F849 HydrophobicContact CD2-CE2 4.23Å; L843-F849 HydrophobicContact CD2-CG 4.08Å; S846-F849 PolarHBondContact OG-N 3.33Å; F849-N851 VanDerWaalsContact C-N 3.26Å; F849-N851 PolarHBondContact O-N 2.67Å; F849-I852 PolarHBondContact O-N 3.5Å; F849-H853 AromaticContact CD2-CD2 3.49Å; F849-H853 VanDerWaalsContact CD2-CD2 3.49Å; F849-H853 WeakPolarHBondContact CD2-CD2 3.46Å; F849-H853 AromaticContact CD2-NE2 3.85Å; F849-H853 AromaticContact CE2-CD2 3.39Å; F849-H853 WeakPolarHBondContact CE2-CD2 3.36Å; F849-H853 AromaticContact CE2-CG 3.92Å; F849-H853 AromaticContact CE2-NE2 3.57Å; F849-H853 WeakPolarHBondContact O-CB 3.32Å; F849-H853 PolarHBondContact O-CD2 3Å; F849-H853 PolarHBondContact O-N 3.43Å; F849-M861 HydrophobicContact CD1-CE 4.33Å; F849-M861 HydrophobicContact CE1-CB 4.3Å; F849-M861 HydrophobicContact CE1-CE 3.52Å; F849-M861 HydrophobicContact CZ-CE 4.02Å
850	S	90.8	Very high	88.6	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-39.8	179.5	-54.5	0	0	0	0	112	S846 Q847 R854 C855 M861 N862 K866	S846-S850 PolarHBondContact O-N 2.93Å; S846-S850 PolarHBondContact O-OG 2.8Å; Q847-S850 PolarHBondContact O-N 2.93Å; S850-R854 CarbonylContact O-C 3.38Å; S850-R854 WeakPolarHBondContact O-CA 3.37Å; S850-R854 PolarHBondContact O-N 3.44Å; S850-C855 PolarHBondContact O-N 3.18Å; S850-M861 PolarHBondContact OG-O 3.09Å; S850-N862 WeakPolarHBondContact OG-CB 3.46Å; S850-N862 PolarHBondContact OG-OD1 2.91Å; S850-K866 PolarHBondContact OG-NZ 3.04Å
851	N	90.1	Very high	88.8	Confident	102 Å²	102	45.3 Å²	45.3	55%	0.545	24%	0.243	S	C	.	.	H	α-helix	trans	-69.4	-46.3	179	-69.5	-12.8	0	0	0	112.3	Q847 E848 F849 H853 R854	Q847-N851 PolarHBondContact NE2-OD1 3.18Å; Q847-N851 WeakPolarHBondContact O-CB 3.18Å; Q847-N851 PolarHBondContact O-N 3.17Å; Q847-N851 PolarHBondContact O-ND2 3.34Å; Q847-N851 PolarHBondContact O-OD1 3.46Å; E848-N851 PolarHBondContact O-N 2.9Å; F849-N851 VanDerWaalsContact C-N 3.26Å; F849-N851 PolarHBondContact O-N 2.67Å; N851-H853 VanDerWaalsContact C-N 3.35Å; N851-H853 PolarHBondContact O-N 3.47Å; N851-R854 PolarHBondContact O-N 3.43Å
852	I	88	Confident	89	Confident	23 Å²	23	44.5 Å²	44.5	12%	0.118	24%	0.24	C	C	.	.	H	α-helix	trans	-65.7	-39.4	-177.5	-75.2	160.2	0	0	0	111.5	F792 L801 K804 K805 F808 E848 F849	F792-I852 HydrophobicContact CE1-CD1 4.47Å; F792-I852 HydrophobicContact CE2-CD1 3.94Å; F792-I852 HydrophobicContact CZ-CD1 3.51Å; L801-I852 HydrophobicContact CD1-CG1 4.39Å; L801-I852 HydrophobicContact CD1-CG2 4.15Å; K804-I852 HydrophobicContact CB-CD1 3.79Å; K804-I852 HydrophobicContact CD-CD1 4.34Å; K804-I852 HydrophobicContact CG-CD1 4.36Å; K805-I852 HydrophobicContact CG-CG2 3.52Å; F808-I852 HydrophobicContact CD2-CD1 4.35Å; F808-I852 HydrophobicContact CE2-CD1 3.7Å; E848-I852 WeakPolarHBondContact O-CB 3.32Å; E848-I852 WeakPolarHBondContact O-CD1 3.31Å; E848-I852 VanDerWaalsContact O-CG1 3.29Å; E848-I852 WeakPolarHBondContact O-CG1 3.32Å; E848-I852 PolarHBondContact O-N 3.24Å; F849-I852 PolarHBondContact O-N 3.5Å
853	H	87.1	Confident	89.1	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.056	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	1.9	178.1	-68.5	-95.1	0	0	0	113.3	C264 F849 N851 C855	C264-H853 HydrophobicContact CB-CB 4.33Å; C264-H853 WeakPolarHBondContact CB-O 3.23Å; F849-H853 AromaticContact CD2-CD2 3.49Å; F849-H853 VanDerWaalsContact CD2-CD2 3.49Å; F849-H853 WeakPolarHBondContact CD2-CD2 3.46Å; F849-H853 AromaticContact CD2-NE2 3.85Å; F849-H853 AromaticContact CE2-CD2 3.39Å; F849-H853 WeakPolarHBondContact CE2-CD2 3.36Å; F849-H853 AromaticContact CE2-CG 3.92Å; F849-H853 AromaticContact CE2-NE2 3.57Å; F849-H853 WeakPolarHBondContact O-CB 3.32Å; F849-H853 PolarHBondContact O-CD2 3Å; F849-H853 PolarHBondContact O-N 3.43Å; N851-H853 VanDerWaalsContact C-N 3.35Å; N851-H853 PolarHBondContact O-N 3.47Å; H853-C855 VanDerWaalsContact C-N 3.32Å; H853-C855 PolarHBondContact O-N 2.83Å
854	R	87.2	Confident	89	Confident	210 Å²	210	53.3 Å²	53.3	79%	0.792	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	43	178.1	-56	178.8	-179.5	164.2	-0.8	113.5	S850 N851 S856	S850-R854 CarbonylContact O-C 3.38Å; S850-R854 WeakPolarHBondContact O-CA 3.37Å; S850-R854 PolarHBondContact O-N 3.44Å; N851-R854 PolarHBondContact O-N 3.43Å; R854-S856 PolarHBondContact O-N 3.34Å
855	C	86.9	Confident	88.8	Confident	10 Å²	10	58.3 Å²	58.3	7%	0.068	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-67.2	125.3	175.9	-62	0	0	0	0	111.4	C264 S850 H853 N862	C264-C855 HydrophobicContact CB-CB 3.9Å; C264-C855 WeakPolarHBondContact CB-SG 3.37Å; C264-C855 WeakPolarHBondContact SG-CA 3.1Å; C264-C855 WeakPolarHBondContact SG-CB 3.45Å; C264-C855 CovalentContact SG-SG 2.02Å; C264-C855 PolarHBondContact SG-SG 2.84Å; S850-C855 PolarHBondContact O-N 3.18Å; H853-C855 VanDerWaalsContact C-N 3.32Å; H853-C855 PolarHBondContact O-N 2.83Å; C855-N862 HydrophobicContact CB-CB 3.61Å; C855-N862 PolarHBondContact O-ND2 3.34Å
856	S	89.5	Confident	88.7	Confident	91 Å²	91	59.7 Å²	59.7	64%	0.636	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-58.4	139	174.7	-59.2	0	0	0	0	111.4	R854 G858 S859 N862	R854-S856 PolarHBondContact O-N 3.34Å; S856-G858 PolarHBondContact O-N 2.9Å; S856-S859 VanDerWaalsContact O-CB 3.24Å; S856-S859 WeakPolarHBondContact O-CB 3.41Å; S856-S859 PolarHBondContact O-N 3.22Å; S856-S859 VanDerWaalsContact O-N 3.14Å; S856-S859 PolarHBondContact O-OG 3.43Å; S856-N862 WeakPolarHBondContact O-CB 3.12Å
857	S	90.3	Very high	88.5	Confident	98 Å²	98	59.7 Å²	59.7	69%	0.685	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	136.4	173.8	-166.1	0	0	0	0	110.7	S859	S857-S859 VanDerWaalsContact C-N 3.28Å; S857-S859 PolarHBondContact O-N 3.45Å
858	G	87.3	Confident	88.1	Confident	48 Å²	48	59 Å²	59	50%	0.495	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-1.2	-177.4	0	0	0	0	0	114.8	S856 N862	S856-G858 PolarHBondContact O-N 2.9Å; G858-N862 WeakPolarHBondContact CA-O 3.23Å; G858-N862 PolarHBondContact N-O 3.23Å
859	S	87.1	Confident	87.3	Confident	37 Å²	37	56.2 Å²	56.2	26%	0.259	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-73	162.7	172.7	65.8	0	0	0	0	112	S856 S857 M861 N862 P863	S856-S859 VanDerWaalsContact O-CB 3.24Å; S856-S859 WeakPolarHBondContact O-CB 3.41Å; S856-S859 PolarHBondContact O-N 3.22Å; S856-S859 VanDerWaalsContact O-N 3.14Å; S856-S859 PolarHBondContact O-OG 3.43Å; S857-S859 VanDerWaalsContact C-N 3.28Å; S857-S859 PolarHBondContact O-N 3.45Å; S859-M861 PolarHBondContact O-N 2.73Å; S859-M861 VanDerWaalsContact O-N 3.09Å; S859-N862 PolarHBondContact N-O 2.88Å; S859-N862 CarbonylContact O-C 3.6Å; S859-N862 PolarHBondContact O-N 3.4Å; S859-N862 PolarHBondContact OG-N 3.35Å; S859-P863 VanDerWaalsContact O-N 3.13Å
860	K	84.1	Confident	86.2	Confident	126 Å²	126	57.6 Å²	57.6	55%	0.548	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-36.6	178.1	-174.9	178.2	174.2	-175.4	0	113	D258	D258-K860 IonicContact OD1-NZ 4Å; D258-K860 PolarHBondContact OD1-NZ 2.87Å; D258-K860 IonicContact OD2-NZ 2.76Å; D258-K860 PolarHBondContact OD2-NZ 2.71Å
861	M	86.2	Confident	84.5	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.015	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	3	-179.2	-63.4	-55.8	-70.1	0	0	114.3	S262 N840 L843 F849 S850 S859	S262-M861 WeakPolarHBondContact O-CG 3.14Å; N840-M861 HydrophobicContact CB-CE 4.03Å; N840-M861 HydrophobicContact CB-SD 3.66Å; N840-M861 WeakPolarHBondContact OD1-CE 3.34Å; L843-M861 HydrophobicContact CB-CE 3.67Å; L843-M861 HydrophobicContact CD1-CE 4.33Å; F849-M861 HydrophobicContact CD1-CE 4.33Å; F849-M861 HydrophobicContact CE1-CB 4.3Å; F849-M861 HydrophobicContact CE1-CE 3.52Å; F849-M861 HydrophobicContact CZ-CE 4.02Å; S850-M861 PolarHBondContact OG-O 3.09Å; S859-M861 PolarHBondContact O-N 2.73Å; S859-M861 VanDerWaalsContact O-N 3.09Å
862	N	90.7	Very high	82.4	Confident	14 Å²	14	64.2 Å²	64.2	8%	0.075	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-147.9	63.2	172.6	-172	25.4	0	0	0	109.8	S850 C855 S856 G858 S859 K866	S850-N862 WeakPolarHBondContact OG-CB 3.46Å; S850-N862 PolarHBondContact OG-OD1 2.91Å; C855-N862 HydrophobicContact CB-CB 3.61Å; C855-N862 PolarHBondContact O-ND2 3.34Å; S856-N862 WeakPolarHBondContact O-CB 3.12Å; G858-N862 WeakPolarHBondContact CA-O 3.23Å; G858-N862 PolarHBondContact N-O 3.23Å; S859-N862 PolarHBondContact N-O 2.88Å; S859-N862 CarbonylContact O-C 3.6Å; S859-N862 PolarHBondContact O-N 3.4Å; S859-N862 PolarHBondContact OG-N 3.35Å; N862-K866 WeakPolarHBondContact OD1-CE 3.47Å; N862-K866 PolarHBondContact OD1-NZ 2.75Å
863	P	90	Very high	79.8	Confident	31 Å²	31	70.4 Å²	70.4	20%	0.201	40%	0.401	C	S	.	.			trans	-65	155	179.3	29.5	-35.9	0	0	0	110.5	K844 S859 N865 K866	K844-P863 HydrophobicContact CB-CG 4.35Å; K844-P863 WeakPolarHBondContact O-CD 3.35Å; S859-P863 VanDerWaalsContact O-N 3.13Å; P863-N865 VanDerWaalsContact C-N 3.34Å; P863-K866 HydrophobicContact CG-CG 4.29Å
864	E	86.8	Confident	79.4	Confident	156 Å²	156	73.4 Å²	73.4	73%	0.729	42%	0.418	S	S	*	.	S	Bend	trans	-64.7	-40.1	177.1	-63	-174.7	165.6	0	0	111.6	K866	E864-K866 PolarHBondContact O-N 3.37Å
865	N	85.2	Confident	79	Confident	126 Å²	126	66.2 Å²	66.2	67%	0.674	40%	0.398	S	S	*	.	S	Bend	trans	-95.8	87.9	-178.8	-65.3	-23.4	0	0	0	111.3	Q767 P863	Q767-N865 PolarHBondContact NE2-O 3.14Å; P863-N865 VanDerWaalsContact C-N 3.34Å
866	K	89.9	Confident	78.6	Confident	30 Å²	30	69.3 Å²	69.3	13%	0.13	42%	0.417	C	S	.	.			trans	-91.4	124.7	172.7	-65.2	-176.1	178.6	-174.1	0	111.1	K844 S846 S850 N862 P863 E864 L868	K844-K866 VanDerWaalsContact O-CE 3.23Å; K844-K866 WeakPolarHBondContact O-CE 3.14Å; S846-K866 PolarHBondContact O-NZ 2.91Å; S850-K866 PolarHBondContact OG-NZ 3.04Å; N862-K866 WeakPolarHBondContact OD1-CE 3.47Å; N862-K866 PolarHBondContact OD1-NZ 2.75Å; P863-K866 HydrophobicContact CG-CG 4.29Å; E864-K866 PolarHBondContact O-N 3.37Å; K866-L868 HydrophobicContact CB-CD2 4.46Å; K866-L868 HydrophobicContact CB-CG 4.11Å; K866-L868 PolarHBondContact O-N 2.87Å
867	C	88.2	Confident	77.9	Confident	2 Å²	2	68 Å²	68	1%	0.014	40%	0.404	C	S	.	.			trans	-79.1	81.1	172.5	-51.7	0	0	0	0	111.9	Q760 C763 L764 Q767 H845	Q760-C867 HydrophobicContact CG-CB 4.18Å; Q760-C867 PolarHBondContact NE2-O 3.17Å; C763-C867 HydrophobicContact CB-CB 3.71Å; C763-C867 WeakPolarHBondContact CB-SG 3.18Å; C763-C867 PolarHBondContact O-SG 3.4Å; C763-C867 WeakPolarHBondContact SG-CA 3.44Å; C763-C867 WeakPolarHBondContact SG-CB 2.85Å; C763-C867 CovalentContact SG-SG 2.05Å; C763-C867 PolarHBondContact SG-SG 3.01Å; L764-C867 HydrophobicContact CD2-CB 3.74Å; L764-C867 HydrophobicContact CG-CB 3.86Å; L764-C867 PolarHBondContact N-SG 2.85Å; L764-C867 VanDerWaalsContact N-SG 3.36Å; Q767-C867 PolarHBondContact NE2-SG 3.46Å; Q767-C867 VanDerWaalsContact NE2-SG 3.45Å; H845-C867 PolarHBondContact ND1-N 3.23Å; H845-C867 VanDerWaalsContact ND1-N 3.16Å
868	L	82	Confident	77.2	Confident	55 Å²	55	66.1 Å²	66.1	29%	0.288	39%	0.386	S	S	.	.			trans	-91.2	136.5	176.3	-60.7	177.8	0	0	0	109.7	M789 H845 K866 W870	M789-L868 HydrophobicContact CE-CD2 3.94Å; M789-L868 HydrophobicContact SD-CD2 3.92Å; H845-L868 WeakPolarHBondContact O-CD2 3.41Å; K866-L868 HydrophobicContact CB-CD2 4.46Å; K866-L868 HydrophobicContact CB-CG 4.11Å; K866-L868 PolarHBondContact O-N 2.87Å; L868-W870 VanDerWaalsContact C-N 3.28Å
869	L	74.1	Confident	76.5	Confident	6 Å²	6	67.3 Å²	67.3	3%	0.031	38%	0.379	C	S	.	.	S	Bend	trans	-72.3	-30.3	167.8	-169.4	65.2	0	0	0	110.9	M730 N734 Q760 N786	M730-L869 HydrophobicContact CE-CD2 3.7Å; N734-L869 WeakPolarHBondContact ND2-CD2 3.37Å; Q760-L869 HydrophobicContact CB-CD1 4.19Å; N786-L869 WeakPolarHBondContact ND2-CD2 3.29Å; N786-L869 WeakPolarHBondContact OD1-CB 3.33Å
870	W	69.1	Low	75.7	Confident	28 Å²	28	69.5 Å²	69.5	11%	0.106	39%	0.388	C	S	.	.			trans	-130.2	110.3	-176	-38	-39.4	0	0	0	108.8	L596 M603 M730 L790 L868	L596-W870 HydrophobicContact CD1-CH2 4.08Å; L596-W870 HydrophobicContact CD1-CZ2 4.1Å; M603-W870 HydrophobicContact CE-CD2 3.68Å; M603-W870 HydrophobicContact CE-CG 3.67Å; M603-W870 HydrophobicContact CE-CZ2 3.73Å; M730-W870 HydrophobicContact CE-CH2 4.08Å; M730-W870 HydrophobicContact CE-CZ2 3.4Å; M730-W870 VanDerWaalsContact CE-CZ2 3.4Å; M730-W870 HydrophobicContact SD-CH2 3.69Å; M730-W870 HydrophobicContact SD-CZ2 3.6Å; M730-W870 VanDerWaalsContact SD-CZ2 3.6Å; L790-W870 HydrophobicContact CB-CH2 4.47Å; L868-W870 VanDerWaalsContact C-N 3.28Å
871	S	53.7	Low	75.1	Confident	91 Å²	91	65.2 Å²	65.2	64%	0.636	38%	0.375	S	S	*	.			trans	-85.9	122.3	153.6	57.3	0	0	0	0	107.1	A873	S871-A873 PolarHBondContact O-N 2.87Å; S871-A873 VanDerWaalsContact O-N 3.17Å
872	E	47.2	Very low	74.2	Confident	151 Å²	151	70.3 Å²	70.3	71%	0.706	41%	0.405	S	S	*	.			trans	-59	122.1	161	-68.9	-173.9	169.1	0	0	106.7	K793	K793-E872 IonicContact NZ-OE1 2.85Å; K793-E872 PolarHBondContact NZ-OE1 3.19Å
873	A	33.2	Very low	72.7	Confident	154 Å²	154	75.5 Å²	75.5	100%	1.273	44%	0.435	S	S	*	.			trans	-63.4	0	-174.7	0	0	0	0	0	113.1	S871	S871-A873 PolarHBondContact O-N 2.87Å; S871-A873 VanDerWaalsContact O-N 3.17Å

Retrieved 873 of 873 residues in 1738.3 ms (Link to these results)

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