A0A077YX13_TRITR Loading...

BRCA-2 OB1 and BRCA-2 OB3 domain containing prote in

AlphaFold DB , UniProt , Accession A0A077YX13, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 911 aa.

						>A0A077YX13_TRITR|A0A077YX13
MSDLVDAGPGVSTSDFQTAFGQTCTISSQALASARLSFYQLAENSIALEESQAFSSEAIQHVDSTTQCSDGESVTMRCGPSIENLNPNDSLGSAICGFNTAAGNRCSISSDAMVKAKLLFDRSCNDELVQDHADVCGFRTAAGSSLSIEQDALKKAESTFNTLNATVVQESAQAADINGYKTPSIIRTPLSSFPGSSRSLGILKHLRPFETPSAKYRPPLGFASQKGDSTPKFLYRKRKAIAENLNTAFDSLSAKQATLGSVGLSSSAGRLFNLRSRGRFIQLRKFFSQDERSYLSVEQLVALGVHHSVINVCCKNAKNFVFDSSMLNSPPGSTLLAGDGVYVQVDLCVLLKIQPPSKRGFCQADGPAIITDGSCGNWLPTNFDVNAYDLVYRCLTVDRVLLELRYRYDREIERAHRPAIRKIFNCDLSAAVPLVLCLSDVKNADEKASCVTVEVTDGWYSMNAVLDVKLSQFLRRGLLWVGQKLYVIGAMLHGCDDACEPWDAPGNVRLSLSVNGVRQARWYAKLGQQSLRIKPVFPLASLYPRGGFVFLTDLLIHRIYPPVFLERLRDHPGNLRNEASQMTHFRIFEEQFSKSVENALDSVIKEFEADTFGMDTSTTGSRRKPALDYDTQQIQAVDDVEGLIKMYKSTSDPQRFERSIMLTQRRNLQKYQNRLNELQWAELQKIVEKKISELKKNRLLCSVVPILKLRVSDCHAVSTTQSSDYILNIWRADVEELSHRLQEGKAYRVHNLKMSHFGTETTCLNTTVGTKIQELSPKYYNASQAGFMSRRLTTFDELRSSEFVSPSDEVDIVGFIIAVATNDGGDTVYLADEGKNVIALKIGDGIKNYCWEGVLKTGNVVACQNLVHKRLVNARIPQLEATLLSSVKQNPREHHISSAVALFKKHIQVCA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	31.8	Very low	233 Å²	233	125.3 Å²	125.3	100%	1.148	77%	0.77	S	S	*	*				0	58	0	-61.2	-154.5	-98.3	0	0	107.4
2	S	25.8	Very low	32.3	Very low	102 Å²	102	123.1 Å²	123.1	71%	0.713	76%	0.764	S	S	*	*				42.1	91.8	55.3	59	0	0	0	0	109.3
3	D	33.6	Very low	33.1	Very low	163 Å²	163	117.1 Å²	117.1	87%	0.872	73%	0.726	S	S	*	*				-142.6	128.1	60	-62.8	-39.6	0	0	0	114.9
4	L	26.5	Very low	33.9	Very low	168 Å²	168	114.9 Å²	114.9	88%	0.88	72%	0.718	S	S	*	*			trans	-127.5	145.8	158.9	-138.9	108.6	0	0	0	104.2
5	V	29.4	Very low	34.7	Very low	127 Å²	127	115.8 Å²	115.8	77%	0.77	72%	0.716	S	S	*	*			trans	91.3	88.5	174.3	-165.2	0	0	0	0	115.8
6	D	28.3	Very low	35.3	Very low	160 Å²	160	116.7 Å²	116.7	86%	0.856	71%	0.706	S	S	*	*				-176.7	104.2	117	-112.2	-16.1	0	0	0	110.7
7	A	31.4	Very low	36.3	Very low	103 Å²	103	116.7 Å²	116.7	85%	0.851	70%	0.697	S	S	*	*			trans	-111.5	102.6	164.5	0	0	0	0	0	107.2
8	G	32.5	Very low	37.6	Very low	52 Å²	52	113.3 Å²	113.3	54%	0.536	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-61.1	165	-179.7	0	0	0	0	0	113.7	G10	G8-G10 PolarHBondContact O-N 3.27Å
9	P	37.3	Very low	37.6	Very low	134 Å²	134	112.7 Å²	112.7	87%	0.87	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-69.1	126.2	-171.5	29	-32.7	0	0	0	110.5
10	G	35.4	Very low	37.8	Very low	36 Å²	36	116.1 Å²	116.1	37%	0.371	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-59.8	147.1	170.7	0	0	0	0	0	111.4	G8 S12	G8-G10 PolarHBondContact O-N 3.27Å; G10-S12 PolarHBondContact O-N 3.1Å
11	V	38.1	Very low	38.1	Very low	100 Å²	100	112.2 Å²	112.2	61%	0.606	68%	0.676	S	S	*	*			trans	-67.5	112.8	175.3	177.7	0	0	0	0	108.2	T13	V11-T13 HydrophobicContact CG1-CG2 4.27Å; V11-T13 PolarHBondContact O-N 3.18Å; V11-T13 VanDerWaalsContact O-N 3.14Å
12	S	37.7	Very low	38.8	Very low	99 Å²	99	107.9 Å²	107.9	69%	0.692	65%	0.653	S	S	*	*			trans	-72.1	102.6	169.3	68.4	0	0	0	0	108.4	G10 S14	G10-S12 PolarHBondContact O-N 3.1Å; S12-S14 PolarHBondContact O-N 3.14Å
13	T	42.1	Very low	39.8	Very low	45 Å²	45	107.1 Å²	107.1	28%	0.276	64%	0.644	S	S	.	*			trans	-80.8	113.3	164.5	50.4	0	0	0	0	106.9	V11 D15	V11-T13 HydrophobicContact CG1-CG2 4.27Å; V11-T13 PolarHBondContact O-N 3.18Å; V11-T13 VanDerWaalsContact O-N 3.14Å; T13-D15 PolarHBondContact O-N 3.08Å
14	S	43.9	Very low	40.5	Very low	87 Å²	87	102 Å²	102	61%	0.608	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-8.4	178.4	44.7	0	0	0	0	114	S12	S12-S14 PolarHBondContact O-N 3.14Å
15	D	45.9	Very low	41.4	Very low	128 Å²	128	99.1 Å²	99.1	68%	0.684	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-9.2	-160.3	-52.1	-22.2	0	0	0	113.1	T13	T13-D15 PolarHBondContact O-N 3.08Å
16	F	45.1	Very low	42.4	Very low	130 Å²	130	96.8 Å²	96.8	57%	0.57	59%	0.592	S	S	*	*			trans	-115.7	106.4	177.5	-65.9	-80	0	0	0	111	T23 C24	F16-T23 WeakPolarHBondContact O-CA 3.43Å; F16-C24 HydrophobicContact CB-CB 4.31Å; F16-C24 PolarHBondContact O-N 2.96Å
17	Q	52.9	Low	44	Very low	117 Å²	117	92.3 Å²	92.3	55%	0.547	57%	0.573	S	S	.	*	B	Isolated β-bridge	trans	-117.1	145.3	171.8	-67.5	-179.1	6.3	0	0	111	Q22 T23	Q17-Q22 CarbonylContact C-O 3.56Å; Q17-Q22 VanDerWaalsContact CA-O 3.24Å; Q17-Q22 WeakPolarHBondContact CA-O 3.36Å; Q17-T23 HydrophobicContact CG-CG2 4.03Å
18	T	59	Low	45.2	Very low	55 Å²	55	91.2 Å²	91.2	34%	0.337	56%	0.559	S	S	.	*			trans	-66.2	165.5	168.9	66.2	0	0	0	0	110.7	F20 G21 Q22	T18-F20 PolarHBondContact O-N 3.47Å; T18-G21 PolarHBondContact O-N 3.28Å; T18-Q22 PolarHBondContact N-O 3.31Å; T18-Q22 PolarHBondContact OG1-N 3.48Å
19	A	37.5	Very low	46.4	Very low	102 Å²	102	96.2 Å²	96.2	84%	0.843	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-11.1	175.9	0	0	0	0	0	114.4
20	F	41.5	Very low	47.3	Very low	180 Å²	180	91.9 Å²	91.9	79%	0.789	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	11.2	173.9	-64.3	-75.7	0	0	0	113.5	T18	T18-F20 PolarHBondContact O-N 3.47Å
21	G	44.9	Very low	48.5	Very low	36 Å²	36	94 Å²	94	37%	0.371	55%	0.546	S	S	.	.	S	Bend	trans	80.2	14.4	173.5	0	0	0	0	0	115.5	T18	T18-G21 PolarHBondContact O-N 3.28Å
22	Q	46	Very low	49.3	Very low	142 Å²	142	91.5 Å²	91.5	66%	0.664	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-85.2	128.5	173.1	-73	-176	-22.7	0	0	110.5	Q17 T18	Q17-Q22 CarbonylContact C-O 3.56Å; Q17-Q22 VanDerWaalsContact CA-O 3.24Å; Q17-Q22 WeakPolarHBondContact CA-O 3.36Å; T18-Q22 PolarHBondContact N-O 3.31Å; T18-Q22 PolarHBondContact OG1-N 3.48Å
23	T	46.2	Very low	50.2	Low	86 Å²	86	89.7 Å²	89.7	53%	0.528	52%	0.524	S	S	.	.	B	Isolated β-bridge	trans	-65.7	126.2	174.9	41.9	0	0	0	0	111.4	F16 Q17	F16-T23 WeakPolarHBondContact O-CA 3.43Å; Q17-T23 HydrophobicContact CG-CG2 4.03Å
24	C	48	Very low	50.9	Low	56 Å²	56	89.4 Å²	89.4	38%	0.378	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-83.9	122.7	174.6	-70.7	0	0	0	0	110.2	F16	F16-C24 HydrophobicContact CB-CB 4.31Å; F16-C24 PolarHBondContact O-N 2.96Å
25	T	47.1	Very low	51.6	Low	106 Å²	106	93.3 Å²	93.3	65%	0.65	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-96.6	124.4	174.6	53.2	0	0	0	0	110.7
26	I	50.6	Low	52.1	Low	79 Å²	79	92.3 Å²	92.3	41%	0.405	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-93.6	129.4	173.5	-57.1	173.1	0	0	0	108.3	A30 L31	I26-A30 HydrophobicContact CG2-CB 4.35Å; I26-L31 HydrophobicContact CG2-CD1 4.27Å; I26-L31 HydrophobicContact CG2-CG 4.07Å
27	S	61.7	Low	52.5	Low	65 Å²	65	88 Å²	88	46%	0.455	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-72.6	146.2	178.9	73.2	0	0	0	0	111.6	Q29 A30 L31	S27-Q29 PolarHBondContact O-N 3.09Å; S27-A30 PolarHBondContact O-N 3.13Å; S27-A30 VanDerWaalsContact O-N 3.14Å; S27-A30 WeakPolarHBondContact OG-CB 3.36Å; S27-A30 PolarHBondContact OG-N 3.18Å; S27-L31 PolarHBondContact O-N 3.28Å
28	S	55.1	Low	52.5	Low	81 Å²	81	89.4 Å²	89.4	57%	0.566	51%	0.512	S	S	*	.	H	α-helix	trans	-57.3	-31.9	174.8	50.7	0	0	0	0	112.3	L31 A32	S28-L31 PolarHBondContact O-N 3.03Å; S28-A32 WeakPolarHBondContact O-CB 3.46Å; S28-A32 PolarHBondContact O-N 3.32Å
29	Q	59.2	Low	52.1	Low	156 Å²	156	94.8 Å²	94.8	73%	0.729	53%	0.527	S	S	*	.	H	α-helix	trans	-71.6	-36.3	178.1	-164.4	154.5	1.9	0	0	112.9	S27 L31 A32 S33	S27-Q29 PolarHBondContact O-N 3.09Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; Q29-A32 PolarHBondContact O-N 3.41Å; Q29-S33 PolarHBondContact O-N 3.05Å; Q29-S33 PolarHBondContact O-OG 3.17Å
30	A	56.3	Low	52.8	Low	43 Å²	43	94.9 Å²	94.9	36%	0.355	51%	0.511	S	S	.	.	H	α-helix	trans	-67.3	-36.4	173.2	0	0	0	0	0	111.9	I26 S27 S33 A34	I26-A30 HydrophobicContact CG2-CB 4.35Å; S27-A30 PolarHBondContact O-N 3.13Å; S27-A30 VanDerWaalsContact O-N 3.14Å; S27-A30 WeakPolarHBondContact OG-CB 3.36Å; S27-A30 PolarHBondContact OG-N 3.18Å; A30-S33 WeakPolarHBondContact CA-OG 3.35Å; A30-S33 PolarHBondContact O-OG 2.89Å; A30-A34 WeakPolarHBondContact O-CB 3.38Å; A30-A34 PolarHBondContact O-N 2.97Å
31	L	59	Low	53.2	Low	80 Å²	80	91 Å²	91	42%	0.419	50%	0.497	S	S	.	.	H	α-helix	trans	-67.4	-40.5	172.5	-86.2	162.8	0	0	0	112.2	I26 S27 S28 Q29 A34 R35	I26-L31 HydrophobicContact CG2-CD1 4.27Å; I26-L31 HydrophobicContact CG2-CG 4.07Å; S27-L31 PolarHBondContact O-N 3.28Å; S28-L31 PolarHBondContact O-N 3.03Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; L31-A34 PolarHBondContact O-N 3.38Å; L31-R35 WeakPolarHBondContact O-CG 3.41Å; L31-R35 PolarHBondContact O-N 3.19Å
32	A	55.1	Low	53.3	Low	48 Å²	48	91.2 Å²	91.2	40%	0.397	50%	0.496	S	S	.	.	H	α-helix	trans	-67.4	-40.9	176.9	0	0	0	0	0	112.2	S28 Q29 R35 L36	S28-A32 WeakPolarHBondContact O-CB 3.46Å; S28-A32 PolarHBondContact O-N 3.32Å; Q29-A32 PolarHBondContact O-N 3.41Å; A32-R35 PolarHBondContact O-N 3.45Å; A32-L36 PolarHBondContact O-N 3.03Å
33	S	56.1	Low	53.1	Low	61 Å²	61	91.3 Å²	91.3	43%	0.427	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-41.1	175.1	61.3	0	0	0	0	111.7	Q29 A30 R35 L36 S37	Q29-S33 PolarHBondContact O-N 3.05Å; Q29-S33 PolarHBondContact O-OG 3.17Å; A30-S33 WeakPolarHBondContact CA-OG 3.35Å; A30-S33 PolarHBondContact O-OG 2.89Å; S33-R35 VanDerWaalsContact C-N 3.35Å; S33-R35 PolarHBondContact O-N 2.96Å; S33-L36 PolarHBondContact O-N 2.7Å; S33-S37 PolarHBondContact O-N 3.35Å; S33-S37 PolarHBondContact O-OG 3.04Å; S33-S37 VanDerWaalsContact O-OG 3.1Å
34	A	58.3	Low	53	Low	40 Å²	40	91.9 Å²	91.9	33%	0.331	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-46.1	174.5	0	0	0	0	0	110.9	A30 L31 L36 S37 F38	A30-A34 WeakPolarHBondContact O-CB 3.38Å; A30-A34 PolarHBondContact O-N 2.97Å; L31-A34 PolarHBondContact O-N 3.38Å; A34-L36 PolarHBondContact O-N 2.96Å; A34-S37 PolarHBondContact O-N 3.35Å; A34-F38 WeakPolarHBondContact O-CD2 3.39Å; A34-F38 PolarHBondContact O-N 2.83Å
35	R	57.1	Low	52.8	Low	169 Å²	169	91.6 Å²	91.6	64%	0.638	50%	0.495	S	S	*	.	H	α-helix	trans	-60	-45.5	176.3	-75.8	176.6	178.6	-177.7	-0.6	112.7	L31 A32 S33 S37 F38 Y39	L31-R35 WeakPolarHBondContact O-CG 3.41Å; L31-R35 PolarHBondContact O-N 3.19Å; A32-R35 PolarHBondContact O-N 3.45Å; S33-R35 VanDerWaalsContact C-N 3.35Å; S33-R35 PolarHBondContact O-N 2.96Å; R35-S37 VanDerWaalsContact C-N 3.34Å; R35-S37 PolarHBondContact O-N 3.15Å; R35-F38 WeakPolarHBondContact O-CB 3.39Å; R35-F38 PolarHBondContact O-N 2.94Å; R35-F38 VanDerWaalsContact O-N 3.14Å; R35-Y39 WeakPolarHBondContact O-CD2 3.2Å; R35-Y39 PolarHBondContact O-N 3.48Å
36	L	56.9	Low	52.6	Low	107 Å²	107	91 Å²	91	56%	0.56	49%	0.487	S	S	*	.	H	α-helix	trans	-62.5	-40.1	177.8	-80.9	163.8	0	0	0	112.2	A32 S33 A34 F38 Y39 Q40	A32-L36 PolarHBondContact O-N 3.03Å; S33-L36 PolarHBondContact O-N 2.7Å; A34-L36 PolarHBondContact O-N 2.96Å; L36-F38 VanDerWaalsContact C-N 3.29Å; L36-F38 PolarHBondContact O-N 3.41Å; L36-Y39 PolarHBondContact O-N 3.14Å; L36-Q40 WeakPolarHBondContact O-CG 3.26Å; L36-Q40 PolarHBondContact O-N 2.95Å
37	S	54.8	Low	52.1	Low	38 Å²	38	89.9 Å²	89.9	27%	0.266	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-33.5	174.1	-61.2	0	0	0	0	112.6	S33 A34 R35 L41	S33-S37 PolarHBondContact O-N 3.35Å; S33-S37 PolarHBondContact O-OG 3.04Å; S33-S37 VanDerWaalsContact O-OG 3.1Å; A34-S37 PolarHBondContact O-N 3.35Å; R35-S37 VanDerWaalsContact C-N 3.34Å; R35-S37 PolarHBondContact O-N 3.15Å; S37-L41 WeakPolarHBondContact O-CD1 3.5Å; S37-L41 WeakPolarHBondContact O-CG 3.5Å; S37-L41 PolarHBondContact O-N 2.77Å
38	F	52.2	Low	51.1	Low	147 Å²	147	92.3 Å²	92.3	65%	0.645	50%	0.496	S	S	*	.	H	α-helix	trans	-68.7	-40	173.2	-78.4	-67.7	0	0	0	112.7	A34 R35 L36 A42	A34-F38 WeakPolarHBondContact O-CD2 3.39Å; A34-F38 PolarHBondContact O-N 2.83Å; R35-F38 WeakPolarHBondContact O-CB 3.39Å; R35-F38 PolarHBondContact O-N 2.94Å; R35-F38 VanDerWaalsContact O-N 3.14Å; L36-F38 VanDerWaalsContact C-N 3.29Å; L36-F38 PolarHBondContact O-N 3.41Å; F38-A42 PolarHBondContact O-N 3.37Å
39	Y	50.6	Low	50.2	Low	168 Å²	168	95.8 Å²	95.8	66%	0.659	50%	0.504	S	S	*	.	H	α-helix	trans	-69.4	-42.4	179	-80.2	-70.6	0	0	0	113.2	R35 L36 L41 A42 E43	R35-Y39 WeakPolarHBondContact O-CD2 3.2Å; R35-Y39 PolarHBondContact O-N 3.48Å; L36-Y39 PolarHBondContact O-N 3.14Å; Y39-L41 PolarHBondContact O-N 2.89Å; Y39-A42 WeakPolarHBondContact O-CB 3.44Å; Y39-A42 PolarHBondContact O-N 3.48Å; Y39-A42 VanDerWaalsContact O-N 3.12Å; Y39-E43 PolarHBondContact O-N 3.34Å
40	Q	52.1	Low	49.1	Very low	105 Å²	105	95.6 Å²	95.6	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-64.8	-25.6	178.7	-73	177.3	-26.6	0	0	113.1	L36 N44	L36-Q40 WeakPolarHBondContact O-CG 3.26Å; L36-Q40 PolarHBondContact O-N 2.95Å; Q40-N44 PolarHBondContact O-ND2 2.75Å
41	L	49.7	Very low	48.2	Very low	97 Å²	97	97.7 Å²	97.7	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-83.3	-27.3	175.3	-69.4	171.5	0	0	0	112.7	S37 Y39 N44 S45	S37-L41 WeakPolarHBondContact O-CD1 3.5Å; S37-L41 WeakPolarHBondContact O-CG 3.5Å; S37-L41 PolarHBondContact O-N 2.77Å; Y39-L41 PolarHBondContact O-N 2.89Å; L41-N44 PolarHBondContact O-N 3.35Å; L41-S45 PolarHBondContact O-N 2.9Å; L41-S45 PolarHBondContact O-OG 3.18Å
42	A	46.1	Very low	47.1	Very low	42 Å²	42	102 Å²	102	35%	0.347	53%	0.533	S	S	.	.	H	α-helix	trans	-66	-40.7	174.4	0	0	0	0	0	111.8	F38 Y39 S45 I46	F38-A42 PolarHBondContact O-N 3.37Å; Y39-A42 WeakPolarHBondContact O-CB 3.44Å; Y39-A42 PolarHBondContact O-N 3.48Å; Y39-A42 VanDerWaalsContact O-N 3.12Å; A42-S45 WeakPolarHBondContact CA-OG 3.48Å; A42-S45 PolarHBondContact O-N 3.45Å; A42-S45 PolarHBondContact O-OG 3.34Å; A42-I46 WeakPolarHBondContact O-CG1 3.49Å; A42-I46 PolarHBondContact O-N 2.93Å
43	E	42.7	Very low	45.8	Very low	143 Å²	143	103.1 Å²	103.1	67%	0.668	54%	0.542	S	S	*	.	H	α-helix	trans	-67.6	-37.1	175.6	-72.7	-178.5	164.8	0	0	112.4	Y39 I46 A47	Y39-E43 PolarHBondContact O-N 3.34Å; E43-I46 PolarHBondContact O-N 3.26Å; E43-A47 PolarHBondContact O-N 3.37Å
44	N	44.4	Very low	44.6	Very low	98 Å²	98	110.4 Å²	110.4	52%	0.524	57%	0.567	S	S	.	*	H	α-helix	trans	-71.9	-30	177.2	-74.1	-22.3	0	0	0	113.2	Q40 L41 L48	Q40-N44 PolarHBondContact O-ND2 2.75Å; L41-N44 PolarHBondContact O-N 3.35Å; N44-L48 WeakPolarHBondContact O-CD1 3.14Å; N44-L48 PolarHBondContact O-N 3.41Å
45	S	44.1	Very low	43.3	Very low	51 Å²	51	113.3 Å²	113.3	36%	0.357	58%	0.584	S	S	.	*	H	α-helix	trans	-70.3	-33.5	171.2	39	0	0	0	0	113.1	L41 A42 L48 E49	L41-S45 PolarHBondContact O-N 2.9Å; L41-S45 PolarHBondContact O-OG 3.18Å; A42-S45 WeakPolarHBondContact CA-OG 3.48Å; A42-S45 PolarHBondContact O-N 3.45Å; A42-S45 PolarHBondContact O-OG 3.34Å; S45-L48 PolarHBondContact O-N 3.3Å; S45-E49 PolarHBondContact O-N 3.26Å
46	I	43.2	Very low	42	Very low	94 Å²	94	109.7 Å²	109.7	48%	0.482	59%	0.585	S	S	.	*	H	α-helix	trans	-73.1	-37.1	176.4	-64.4	165.4	0	0	0	110.6	A42 E43 L48 E49 E50	A42-I46 WeakPolarHBondContact O-CG1 3.49Å; A42-I46 PolarHBondContact O-N 2.93Å; E43-I46 PolarHBondContact O-N 3.26Å; I46-L48 VanDerWaalsContact C-N 3.31Å; I46-L48 PolarHBondContact O-N 3.02Å; I46-E49 PolarHBondContact O-N 3.31Å; I46-E50 PolarHBondContact O-N 3.44Å
47	A	38.4	Very low	40.9	Very low	55 Å²	55	113.5 Å²	113.5	46%	0.455	60%	0.6	S	S	.	*	H	α-helix	trans	-69	-24.3	175.1	0	0	0	0	0	114.3	E43 S51	E43-A47 PolarHBondContact O-N 3.37Å; A47-S51 PolarHBondContact O-OG 3.11Å
48	L	40.7	Very low	39.9	Very low	115 Å²	115	115.8 Å²	115.8	60%	0.602	62%	0.621	S	S	*	*	H	α-helix	trans	-84.6	-26.4	175.2	-90.4	154	0	0	0	113.1	N44 S45 I46 S51	N44-L48 WeakPolarHBondContact O-CD1 3.14Å; N44-L48 PolarHBondContact O-N 3.41Å; S45-L48 PolarHBondContact O-N 3.3Å; I46-L48 VanDerWaalsContact C-N 3.31Å; I46-L48 PolarHBondContact O-N 3.02Å; L48-S51 PolarHBondContact O-OG 3.41Å
49	E	36.2	Very low	38.8	Very low	154 Å²	154	115.9 Å²	115.9	72%	0.72	63%	0.627	S	S	*	*	H	α-helix	trans	-81.7	-30.2	172.5	-75.7	-176.5	166.5	0	0	112.4	S45 I46 S51	S45-E49 PolarHBondContact O-N 3.26Å; I46-E49 PolarHBondContact O-N 3.31Å; E49-S51 VanDerWaalsContact C-N 3.3Å; E49-S51 PolarHBondContact O-N 3.36Å
50	E	36.9	Very low	38	Very low	152 Å²	152	116.6 Å²	116.6	71%	0.71	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-12.6	174.5	-74.1	-176.2	163.6	0	0	114.1	I46	I46-E50 PolarHBondContact O-N 3.44Å
51	S	38.6	Very low	37	Very low	87 Å²	87	119.6 Å²	119.6	61%	0.608	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-0.8	178.5	46.1	0	0	0	0	114.7	A47 L48 E49	A47-S51 PolarHBondContact O-OG 3.11Å; L48-S51 PolarHBondContact O-OG 3.41Å; E49-S51 VanDerWaalsContact C-N 3.3Å; E49-S51 PolarHBondContact O-N 3.36Å
52	Q	34.6	Very low	36.1	Very low	172 Å²	172	120.6 Å²	120.6	80%	0.804	66%	0.66	S	S	*	*	S	Bend	trans	-116.8	11	177.1	-70.9	-169.2	-11.6	0	0	114.6
53	A	28.5	Very low	35.5	Very low	71 Å²	71	125.2 Å²	125.2	59%	0.587	68%	0.679	S	S	*	*			trans	-130	56.7	180	0	0	0	0	0	113.2
54	F	30.5	Very low	34.8	Very low	214 Å²	214	123.4 Å²	123.4	94%	0.939	68%	0.681	S	S	*	*			trans	-146.5	137	154.4	-99.8	-80.3	0	0	0	110.3
55	S	31	Very low	34.2	Very low	100 Å²	100	124.3 Å²	124.3	70%	0.699	69%	0.691	S	S	*	*			trans	-92.9	163	-145.2	60	0	0	0	0	117.2
56	S	30.2	Very low	33.5	Very low	94 Å²	94	127.1 Å²	127.1	66%	0.657	71%	0.706	S	S	*	*			trans	-3.8	137.3	148.1	51	0	0	0	0	120.5
57	E	34	Very low	32.9	Very low	186 Å²	186	130.6 Å²	130.6	87%	0.869	72%	0.72	S	S	*	*			trans	73	94.7	140.6	-66.5	173.9	178.8	0	0	121
58	A	33.5	Very low	32.3	Very low	86 Å²	86	133.5 Å²	133.5	71%	0.711	74%	0.736	S	S	*	*				49.6	111.4	119.2	0	0	0	0	0	123.8
59	I	29.3	Very low	31.8	Very low	150 Å²	150	132.6 Å²	132.6	77%	0.769	74%	0.739	S	S	*	*				76	115	129.9	-49.8	165.8	0	0	0	119.5
60	Q	33.4	Very low	31.3	Very low	182 Å²	182	133.1 Å²	133.1	85%	0.85	75%	0.747	S	S	*	*				-177.4	108.8	114.1	-94.7	-179.7	5.7	0	0	113.8
61	H	30.6	Very low	30.9	Very low	169 Å²	169	129.6 Å²	129.6	78%	0.782	75%	0.751	S	S	*	*				42.1	120.9	129.3	-96.1	-77	0	0	0	123.9
62	V	31.8	Very low	30.5	Very low	117 Å²	117	134.9 Å²	134.9	71%	0.709	77%	0.766	S	S	*	*				145.8	119.8	113.6	176.9	0	0	0	0	114.7
63	D	32.1	Very low	30.3	Very low	140 Å²	140	131.6 Å²	131.6	75%	0.749	76%	0.763	S	S	*	*			trans	46.4	121	147.2	-59.4	-20.9	0	0	0	126.5
64	S	29.6	Very low	30.3	Very low	104 Å²	104	133.8 Å²	133.8	73%	0.727	77%	0.768	S	S	*	*				16.3	135.4	129.2	-39.2	0	0	0	0	119.1
65	T	30.9	Very low	30.3	Very low	118 Å²	118	129.4 Å²	129.4	72%	0.724	76%	0.759	S	S	*	*				178.8	150.6	57.7	-41.6	0	0	0	0	111
66	T	30.5	Very low	30	Very low	109 Å²	109	132 Å²	132	67%	0.669	76%	0.762	S	S	*	*			trans	76.5	115.2	144	36.5	0	0	0	0	124.6
67	Q	30.5	Very low	30	Very low	168 Å²	168	139.4 Å²	139.4	79%	0.785	78%	0.776	S	S	*	*				86.3	121.3	124.2	-77.7	178.5	5	0	0	123.5
68	C	25.5	Very low	29.7	Very low	116 Å²	116	136.4 Å²	136.4	78%	0.784	77%	0.774	S	S	*	*			trans	60	142.9	135.6	-58.7	0	0	0	0	118.9
69	S	29.3	Very low	29.4	Very low	96 Å²	96	135.6 Å²	135.6	67%	0.671	77%	0.774	S	S	*	*			cis	-175.5	150.4	12.5	36.2	0	0	0	0	109.4
70	D	26.4	Very low	29.6	Very low	165 Å²	165	134.5 Å²	134.5	88%	0.882	78%	0.777	S	S	*	*			trans	59.4	135	144.5	-54	-25	0	0	0	123.9
71	G	29	Very low	29.3	Very low	78 Å²	78	131.4 Å²	131.4	80%	0.804	78%	0.775	S	S	*	*			trans	162.9	100.4	160.1	0	0	0	0	0	115.5
72	E	29	Very low	29.4	Very low	197 Å²	197	131.4 Å²	131.4	92%	0.921	78%	0.779	S	S	*	*			trans	-62.7	158.6	-172	-61	163.4	133	0	0	118.2
73	S	30.6	Very low	29.5	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	79%	0.786	S	S	*	*				161.5	114.4	103.1	-163.8	0	0	0	0	115.8
74	V	28.6	Very low	29.3	Very low	117 Å²	117	135.5 Å²	135.5	71%	0.709	79%	0.791	S	S	*	*				65.6	120.2	127.7	-175.5	0	0	0	0	120.4
75	T	29.7	Very low	29.3	Very low	122 Å²	122	138.5 Å²	138.5	75%	0.748	80%	0.798	S	S	*	*				177.6	124	81.7	-19.4	0	0	0	0	114.3
76	M	26.1	Very low	29.4	Very low	153 Å²	153	139.8 Å²	139.8	75%	0.754	80%	0.801	S	S	*	*			trans	31.3	122.3	141.1	-60.1	-76.2	-83.1	0	0	123.2
77	R	29.4	Very low	29.4	Very low	250 Å²	250	140.5 Å²	140.5	94%	0.943	81%	0.807	S	S	*	*				-169.1	140.1	103.7	-105.5	-178.7	-177.8	-173.7	1.7	113.2
78	C	27.4	Very low	29.3	Very low	123 Å²	123	139.9 Å²	139.9	83%	0.831	81%	0.809	S	S	*	*			trans	-73.9	144.7	-170.1	-59.1	0	0	0	0	115.5
79	G	27.4	Very low	29.5	Very low	69 Å²	69	142 Å²	142	71%	0.711	81%	0.813	S	S	*	*			trans	-127.7	141.1	147.2	0	0	0	0	0	108.9
80	P	33.8	Very low	29.6	Very low	128 Å²	128	142.6 Å²	142.6	83%	0.831	82%	0.817	S	S	*	*			trans	-90.9	126	-177.1	32.8	-28.3	0	0	0	113
81	S	26.4	Very low	29.7	Very low	117 Å²	117	143.7 Å²	143.7	82%	0.818	82%	0.822	S	S	*	*			trans	14.4	120.7	145.3	-43.6	0	0	0	0	120.8
82	I	34	Very low	29.7	Very low	169 Å²	169	143.6 Å²	143.6	87%	0.867	82%	0.82	S	S	*	*			trans	-110.8	127.5	151.3	-68.2	-179.3	0	0	0	108.1
83	E	32.3	Very low	29.8	Very low	184 Å²	184	139 Å²	139	86%	0.86	81%	0.811	S	S	*	*			trans	-70.5	147.3	175.3	-70.1	178.7	153.6	0	0	112.4
84	N	28.3	Very low	29.8	Very low	159 Å²	159	138.1 Å²	138.1	85%	0.85	81%	0.809	S	S	*	*			trans	-63.1	132.2	-174.3	-69.2	-51.9	0	0	0	114.8
85	L	30.5	Very low	30.1	Very low	166 Å²	166	138.3 Å²	138.3	87%	0.869	81%	0.805	S	S	*	*			trans	-145.2	117.5	148.8	-76.3	178	0	0	0	112.4
86	N	32.6	Very low	30.8	Very low	146 Å²	146	134.1 Å²	134.1	78%	0.781	78%	0.78	S	S	*	*			trans	21.8	133.4	159.5	-65.4	-20.9	0	0	0	123.4	N88	N86-N88 PolarHBondContact O-N 3.48Å
87	P	30.7	Very low	31.6	Very low	123 Å²	123	130.4 Å²	130.4	80%	0.799	78%	0.782	S	S	*	*	S	Bend	trans	-92.3	88.1	173.7	36.5	-27.5	0	0	0	110.3
88	N	27.4	Very low	32.1	Very low	155 Å²	155	125.4 Å²	125.4	83%	0.829	77%	0.767	S	S	*	*			trans	-164.8	72.5	160.1	-97.1	-22.1	0	0	0	108	N86	N86-N88 PolarHBondContact O-N 3.48Å
89	D	31.2	Very low	33.7	Very low	161 Å²	161	124 Å²	124	86%	0.861	75%	0.751	S	S	*	*	S	Bend	trans	-150.4	132	156.5	-100.4	-28.1	0	0	0	109.3	L91	D89-L91 PolarHBondContact O-N 3.36Å
90	S	30.3	Very low	35.4	Very low	109 Å²	109	123.8 Å²	123.8	76%	0.762	74%	0.736	S	S	*	*			trans	-53.6	116.7	179.1	45.9	0	0	0	0	112.1	G92	S90-G92 VanDerWaalsContact C-N 3.31Å; S90-G92 PolarHBondContact O-N 2.98Å
91	L	28.6	Very low	35.8	Very low	188 Å²	188	123.6 Å²	123.6	98%	0.984	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	78.4	177.5	-163.3	77.7	0	0	0	110.7	D89	D89-L91 PolarHBondContact O-N 3.36Å
92	G	30	Very low	36.7	Very low	75 Å²	75	122.2 Å²	122.2	77%	0.773	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.5	3.4	-179.9	0	0	0	0	0	117.4	S90	S90-G92 VanDerWaalsContact C-N 3.31Å; S90-G92 PolarHBondContact O-N 2.98Å
93	S	30.9	Very low	37.3	Very low	102 Å²	102	116.3 Å²	116.3	71%	0.713	72%	0.722	S	S	*	*	S	Bend	trans	-138.1	11.6	-170	-159.3	0	0	0	0	116.7
94	A	29.9	Very low	38.1	Very low	85 Å²	85	112.8 Å²	112.8	70%	0.702	71%	0.709	S	S	*	*	S	Bend	trans	-113.4	126.9	177.6	0	0	0	0	0	111.2
95	I	35.9	Very low	39	Very low	120 Å²	120	113.1 Å²	113.1	62%	0.615	70%	0.698	S	S	*	*			trans	95.2	76.8	171	-44.6	157.5	0	0	0	114.8
96	C	44.3	Very low	39.8	Very low	34 Å²	34	107.8 Å²	107.8	23%	0.23	67%	0.674	C	S	.	*			trans	-134.2	124	154.7	-178.5	0	0	0	0	108.7	C106	C96-C106 PolarHBondContact SG-O 2.86Å
97	G	41.9	Very low	40.6	Very low	76 Å²	76	106.7 Å²	106.7	78%	0.784	68%	0.678	S	S	*	*			trans	-90.5	8.1	-175.9	0	0	0	0	0	115.1
98	F	40.2	Very low	41.6	Very low	144 Å²	144	104.8 Å²	104.8	63%	0.632	66%	0.66	S	S	*	*			trans	-109.8	118.6	-179.3	-62.3	-77.1	0	0	0	110.9	C106 I108	F98-C106 PolarHBondContact O-N 2.81Å; F98-C106 VanDerWaalsContact O-N 3.1Å; F98-I108 HydrophobicContact CD2-CD1 4.29Å
99	N	61.4	Low	43.1	Very low	95 Å²	95	100.8 Å²	100.8	51%	0.508	65%	0.645	S	S	.	*	B	Isolated β-bridge	trans	-107.4	148.6	170.1	-66.5	-25.7	0	0	0	109.5	N104 R105	N99-N104 CarbonylContact C-O 3.54Å; N99-N104 VanDerWaalsContact CA-O 3.25Å; N99-N104 WeakPolarHBondContact CA-O 3.41Å; N99-R105 VanDerWaalsContact OD1-CG 3.27Å; N99-R105 WeakPolarHBondContact OD1-CG 3.34Å
100	T	62.2	Low	44.3	Very low	63 Å²	63	97.4 Å²	97.4	39%	0.387	63%	0.633	S	S	.	*			trans	-65	166.8	166.1	65.6	0	0	0	0	110.4	A102 G103 N104 C106	T100-A102 PolarHBondContact O-N 3Å; T100-G103 PolarHBondContact O-N 2.8Å; T100-N104 PolarHBondContact N-O 3.04Å; T100-N104 PolarHBondContact OG1-N 3.32Å; T100-C106 WeakPolarHBondContact CG2-SG 3.44Å
101	A	42.7	Very low	45.6	Very low	125 Å²	125	97.7 Å²	97.7	100%	1.033	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-13.5	177	0	0	0	0	0	114.2
102	A	44.8	Very low	47.2	Very low	87 Å²	87	91 Å²	91	72%	0.719	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	2	173.7	0	0	0	0	0	114.1	T100	T100-A102 PolarHBondContact O-N 3Å
103	G	46.3	Very low	48.4	Very low	45 Å²	45	92.3 Å²	92.3	46%	0.464	59%	0.585	S	S	.	*	S	Bend	trans	90.8	3.6	177.1	0	0	0	0	0	116	T100	T100-G103 PolarHBondContact O-N 2.8Å
104	N	50.4	Low	49.9	Very low	111 Å²	111	91.6 Å²	91.6	59%	0.594	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-82.4	133.4	179.1	-68.2	-14.4	0	0	0	111.1	N99 T100	N99-N104 CarbonylContact C-O 3.54Å; N99-N104 VanDerWaalsContact CA-O 3.25Å; N99-N104 WeakPolarHBondContact CA-O 3.41Å; T100-N104 PolarHBondContact N-O 3.04Å; T100-N104 PolarHBondContact OG1-N 3.32Å
105	R	47	Very low	51.4	Low	165 Å²	165	94.4 Å²	94.4	62%	0.623	57%	0.573	S	S	*	*	B	Isolated β-bridge	trans	-65.5	131.8	176.4	-85.3	-173.7	-177.2	-179.3	4.4	111.3	N99	N99-R105 VanDerWaalsContact OD1-CG 3.27Å; N99-R105 WeakPolarHBondContact OD1-CG 3.34Å
106	C	47.6	Very low	52.7	Low	54 Å²	54	90.8 Å²	90.8	37%	0.365	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-87.1	125.6	169.6	-66.7	0	0	0	0	110.2	C96 F98 T100	C96-C106 PolarHBondContact SG-O 2.86Å; F98-C106 PolarHBondContact O-N 2.81Å; F98-C106 VanDerWaalsContact O-N 3.1Å; T100-C106 WeakPolarHBondContact CG2-SG 3.44Å
107	S	48.9	Very low	53.2	Low	123 Å²	123	95.1 Å²	95.1	86%	0.86	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-80.2	124.7	166.7	52.7	0	0	0	0	109.6
108	I	50.8	Low	54.2	Low	84 Å²	84	96.8 Å²	96.8	43%	0.431	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-96	128.6	174.9	-56.4	172.3	0	0	0	107.1	F98 A112 M113	F98-I108 HydrophobicContact CD2-CD1 4.29Å; I108-A112 HydrophobicContact CG2-CB 3.94Å; I108-M113 HydrophobicContact CG2-CG 3.61Å
109	S	58.8	Low	55	Low	71 Å²	71	96 Å²	96	50%	0.497	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-70.6	149.5	175.2	67.4	0	0	0	0	111.3	D111 A112 M113	S109-D111 PolarHBondContact O-N 2.73Å; S109-A112 WeakPolarHBondContact O-CB 3.27Å; S109-A112 PolarHBondContact O-N 2.8Å; S109-A112 WeakPolarHBondContact OG-CB 3.46Å; S109-A112 PolarHBondContact OG-N 3.31Å; S109-M113 PolarHBondContact O-N 2.87Å
110	S	58.2	Low	54.2	Low	89 Å²	89	98.2 Å²	98.2	62%	0.622	57%	0.573	S	S	*	*	H	α-helix	trans	-53.8	-40.3	174.8	49.5	0	0	0	0	112.2	A112 M113 V114	S110-A112 VanDerWaalsContact C-N 3.35Å; S110-A112 PolarHBondContact O-N 2.9Å; S110-M113 PolarHBondContact O-N 3.47Å; S110-V114 WeakPolarHBondContact O-CG2 3.42Å; S110-V114 PolarHBondContact O-N 2.92Å
111	D	57.6	Low	53.5	Low	116 Å²	116	99.9 Å²	99.9	62%	0.62	58%	0.58	S	S	*	*	H	α-helix	trans	-61.3	-37.4	176	-87.5	9.7	0	0	0	113.8	S109 M113 K115	S109-D111 PolarHBondContact O-N 2.73Å; D111-M113 VanDerWaalsContact C-N 3.32Å; D111-K115 PolarHBondContact O-N 2.87Å; D111-K115 VanDerWaalsContact O-N 3.14Å
112	A	60.8	Low	53.6	Low	47 Å²	47	103 Å²	103	39%	0.388	56%	0.564	S	S	.	*	H	α-helix	trans	-68.3	-34.9	177.4	0	0	0	0	0	111.2	I108 S109 S110 A116	I108-A112 HydrophobicContact CG2-CB 3.94Å; S109-A112 WeakPolarHBondContact O-CB 3.27Å; S109-A112 PolarHBondContact O-N 2.8Å; S109-A112 WeakPolarHBondContact OG-CB 3.46Å; S109-A112 PolarHBondContact OG-N 3.31Å; S110-A112 VanDerWaalsContact C-N 3.35Å; S110-A112 PolarHBondContact O-N 2.9Å; A112-A116 PolarHBondContact O-N 2.93Å
113	M	55.3	Low	53.5	Low	102 Å²	102	102.7 Å²	102.7	50%	0.502	56%	0.557	S	S	.	*	H	α-helix	trans	-73.1	-36.7	176.3	-68.2	-138.1	-73.9	0	0	112.9	I108 S109 S110 D111 A116 K117	I108-M113 HydrophobicContact CG2-CG 3.61Å; S109-M113 PolarHBondContact O-N 2.87Å; S110-M113 PolarHBondContact O-N 3.47Å; D111-M113 VanDerWaalsContact C-N 3.32Å; M113-A116 PolarHBondContact O-N 3.12Å; M113-K117 PolarHBondContact O-N 3.07Å
114	V	63.8	Low	52.9	Low	87 Å²	87	105.4 Å²	105.4	53%	0.527	57%	0.568	S	S	.	*	H	α-helix	trans	-63.2	-42.1	173.8	173.4	0	0	0	0	111	S110 K117 L118	S110-V114 WeakPolarHBondContact O-CG2 3.42Å; S110-V114 PolarHBondContact O-N 2.92Å; V114-K117 PolarHBondContact O-N 3.47Å; V114-L118 HydrophobicContact CG1-CD1 4.31Å; V114-L118 WeakPolarHBondContact O-CG 3.45Å; V114-L118 PolarHBondContact O-N 2.87Å
115	K	61.5	Low	52.1	Low	145 Å²	145	107.2 Å²	107.2	63%	0.63	58%	0.578	S	S	*	*	H	α-helix	trans	-64.7	-38.3	174.6	-77.1	179.4	-179.7	171.6	0	112.9	D111 L118 L119	D111-K115 PolarHBondContact O-N 2.87Å; D111-K115 VanDerWaalsContact O-N 3.14Å; K115-L118 PolarHBondContact O-N 2.9Å; K115-L119 WeakPolarHBondContact O-CG 3.21Å; K115-L119 PolarHBondContact O-N 3.41Å; K115-L119 VanDerWaalsContact O-N 3.14Å
116	A	62.5	Low	51.3	Low	43 Å²	43	107.2 Å²	107.2	36%	0.355	59%	0.59	S	S	.	*	H	α-helix	trans	-64.7	-41.7	174.7	0	0	0	0	0	111.5	A112 M113 L119 F120	A112-A116 PolarHBondContact O-N 2.93Å; M113-A116 PolarHBondContact O-N 3.12Å; A116-L119 PolarHBondContact O-N 3.4Å; A116-F120 VanDerWaalsContact O-CD2 3.3Å; A116-F120 WeakPolarHBondContact O-CD2 3.47Å; A116-F120 PolarHBondContact O-N 3.39Å
117	K	54.1	Low	50.5	Low	126 Å²	126	112.9 Å²	112.9	55%	0.548	61%	0.611	S	S	.	*	H	α-helix	trans	-61	-45.3	175.7	-162.8	178.3	178.5	-176.3	0	111.9	M113 V114 L119 F120 D121	M113-K117 PolarHBondContact O-N 3.07Å; V114-K117 PolarHBondContact O-N 3.47Å; K117-L119 VanDerWaalsContact C-N 3.26Å; K117-L119 PolarHBondContact O-N 3.18Å; K117-F120 PolarHBondContact O-N 2.87Å; K117-F120 VanDerWaalsContact O-N 3.1Å; K117-D121 PolarHBondContact O-N 2.96Å
118	L	62.5	Low	49.6	Very low	111 Å²	111	114.5 Å²	114.5	58%	0.581	61%	0.609	S	S	*	*	H	α-helix	trans	-60.2	-33	175.1	-77.2	166.3	0	0	0	113.6	V114 K115	V114-L118 HydrophobicContact CG1-CD1 4.31Å; V114-L118 WeakPolarHBondContact O-CG 3.45Å; V114-L118 PolarHBondContact O-N 2.87Å; K115-L118 PolarHBondContact O-N 2.9Å
119	L	58.5	Low	48.6	Very low	126 Å²	126	116.5 Å²	116.5	66%	0.66	63%	0.625	S	S	*	*	H	α-helix	trans	-73.3	-34.9	175.4	-77.2	164.1	0	0	0	112.2	K115 A116 K117	K115-L119 WeakPolarHBondContact O-CG 3.21Å; K115-L119 PolarHBondContact O-N 3.41Å; K115-L119 VanDerWaalsContact O-N 3.14Å; A116-L119 PolarHBondContact O-N 3.4Å; K117-L119 VanDerWaalsContact C-N 3.26Å; K117-L119 PolarHBondContact O-N 3.18Å
120	F	44.3	Very low	47.1	Very low	142 Å²	142	121.3 Å²	121.3	62%	0.623	64%	0.64	S	S	*	*	H	α-helix	trans	-75.4	-38.1	177	-85.8	-70.9	0	0	0	112.9	A116 K117 R122 S123	A116-F120 VanDerWaalsContact O-CD2 3.3Å; A116-F120 WeakPolarHBondContact O-CD2 3.47Å; A116-F120 PolarHBondContact O-N 3.39Å; K117-F120 PolarHBondContact O-N 2.87Å; K117-F120 VanDerWaalsContact O-N 3.1Å; F120-R122 PolarHBondContact O-N 3.14Å; F120-S123 PolarHBondContact O-N 3.2Å; F120-S123 PolarHBondContact O-OG 3.22Å
121	D	48.1	Very low	45.6	Very low	99 Å²	99	124 Å²	124	53%	0.529	65%	0.647	S	S	.	*	H	α-helix	trans	-66.4	-23.9	177.9	-71.6	-22.6	0	0	0	112.2	K117 S123	K117-D121 PolarHBondContact O-N 2.96Å; D121-S123 VanDerWaalsContact C-N 3.28Å; D121-S123 PolarHBondContact O-N 3.14Å
122	R	44.7	Very low	44.2	Very low	189 Å²	189	127.8 Å²	127.8	71%	0.713	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-13.4	170	-87.3	-173.8	176.9	174.5	4	114.4	F120 D134	F120-R122 PolarHBondContact O-N 3.14Å; R122-D134 IonicContact CZ-OD2 3.08Å; R122-D134 IonicContact NH2-OD2 2.68Å; R122-D134 PolarHBondContact NH2-OD2 3.2Å
123	S	40.9	Very low	42.8	Very low	82 Å²	82	130 Å²	130	57%	0.573	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-0.1	-174.8	63.6	0	0	0	0	115.1	F120 D121	F120-S123 PolarHBondContact O-N 3.2Å; F120-S123 PolarHBondContact O-OG 3.22Å; D121-S123 VanDerWaalsContact C-N 3.28Å; D121-S123 PolarHBondContact O-N 3.14Å
124	C	35.1	Very low	41.8	Very low	101 Å²	101	131.2 Å²	131.2	68%	0.682	69%	0.688	S	S	*	*	S	Bend	trans	-123.8	6.4	-172.8	-67.6	0	0	0	0	116.3
125	N	32.8	Very low	40.2	Very low	150 Å²	150	132.6 Å²	132.6	80%	0.802	70%	0.696	S	S	*	*			trans	-123.5	97.8	175.8	-76	-28.1	0	0	0	111.3
126	D	29.5	Very low	39.2	Very low	165 Å²	165	130.5 Å²	130.5	88%	0.882	70%	0.699	S	S	*	*			trans	-82.9	141.1	156.4	-92.8	-35.8	0	0	0	109.4
127	E	31.1	Very low	37.9	Very low	173 Å²	173	131.5 Å²	131.5	81%	0.808	71%	0.713	S	S	*	*	S	Bend	trans	92.4	104.7	169.2	-55.6	-161.7	162	0	0	120.2
128	L	29.8	Very low	37.1	Very low	157 Å²	157	132.1 Å²	132.1	82%	0.822	72%	0.716	S	S	*	*			trans	67.2	104.1	137.4	-56.5	171.7	0	0	0	119.5
129	V	30.6	Very low	36.6	Very low	125 Å²	125	136.3 Å²	136.3	76%	0.758	72%	0.724	S	S	*	*				157.6	123.5	114.3	165.9	0	0	0	0	111.7
130	Q	27.1	Very low	36.4	Very low	173 Å²	173	132.7 Å²	132.7	81%	0.808	71%	0.707	S	S	*	*			trans	44	120.3	148.3	-64.4	173.2	-25.6	0	0	122.3
131	D	26	Very low	36	Very low	146 Å²	146	131.8 Å²	131.8	78%	0.781	73%	0.726	S	S	*	*			trans	52.6	95.7	147.1	-70.4	-16.6	0	0	0	119.6
132	H	29.7	Very low	35.7	Very low	195 Å²	195	131.3 Å²	131.3	90%	0.903	74%	0.736	S	S	*	*				-148.4	116.2	127	-88.1	-65.5	0	0	0	109.7	D134	H132-D134 PolarHBondContact O-N 2.91Å; H132-D134 VanDerWaalsContact O-N 3.14Å
133	A	30.1	Very low	35.3	Very low	94 Å²	94	124.5 Å²	124.5	78%	0.777	72%	0.724	S	S	*	*			trans	-74.5	98.8	-177.3	0	0	0	0	0	111.4	V135	A133-V135 VanDerWaalsContact C-N 3.32Å; A133-V135 HydrophobicContact CB-CG2 4.29Å; A133-V135 PolarHBondContact O-N 3.28Å; A133-V135 VanDerWaalsContact O-N 3.13Å
134	D	34.5	Very low	35.7	Very low	126 Å²	126	123.8 Å²	123.8	67%	0.674	72%	0.719	S	S	*	*			trans	-84.2	76.2	171.5	-142.8	15.3	0	0	0	109.3	R122 H132 C136	R122-D134 IonicContact CZ-OD2 3.08Å; R122-D134 IonicContact NH2-OD2 2.68Å; R122-D134 PolarHBondContact NH2-OD2 3.2Å; H132-D134 PolarHBondContact O-N 2.91Å; H132-D134 VanDerWaalsContact O-N 3.14Å; D134-C136 PolarHBondContact O-N 3.42Å
135	V	31.2	Very low	36.2	Very low	116 Å²	116	123.4 Å²	123.4	70%	0.703	72%	0.717	S	S	*	*			trans	-83	92.7	176.3	-179	0	0	0	0	109.2	A133	A133-V135 VanDerWaalsContact C-N 3.32Å; A133-V135 HydrophobicContact CB-CG2 4.29Å; A133-V135 PolarHBondContact O-N 3.28Å; A133-V135 VanDerWaalsContact O-N 3.13Å
136	C	39.4	Very low	36.9	Very low	102 Å²	102	120.6 Å²	120.6	69%	0.689	70%	0.702	S	S	*	*			trans	-129.2	75.9	167.9	-158.6	0	0	0	0	111.3	D134	D134-C136 PolarHBondContact O-N 3.42Å
137	G	35.4	Very low	37.8	Very low	63 Å²	63	118.4 Å²	118.4	65%	0.649	70%	0.699	S	S	*	*			trans	-106.8	3	-179.5	0	0	0	0	0	115.5
138	F	37.3	Very low	38.9	Very low	140 Å²	140	114.6 Å²	114.6	61%	0.614	68%	0.684	S	S	*	*			trans	-112.6	113.5	-172.4	-61.2	-73.3	0	0	0	112.4	L146	F138-L146 HydrophobicContact CB-CD1 4.41Å; F138-L146 PolarHBondContact O-N 3.36Å
139	R	52.2	Low	40.5	Very low	198 Å²	198	114.4 Å²	114.4	75%	0.747	68%	0.679	S	S	*	*	B	Isolated β-bridge	trans	-111.8	147.3	169.9	-62.2	-175.4	-177.3	-169.2	1.5	109.3	S144	R139-S144 WeakPolarHBondContact CA-O 3.1Å
140	T	54.6	Low	42	Very low	51 Å²	51	115.9 Å²	115.9	31%	0.313	68%	0.677	S	S	.	*			trans	-67.6	165.3	170.9	70.8	0	0	0	0	110.6	A142 G143 S144 L146	T140-A142 PolarHBondContact O-N 3.4Å; T140-A142 PolarHBondContact OG1-N 3.24Å; T140-G143 PolarHBondContact O-N 3.32Å; T140-S144 PolarHBondContact N-O 2.96Å; T140-S144 PolarHBondContact OG1-N 3.26Å; T140-S144 PolarHBondContact OG1-OG 3.3Å; T140-L146 HydrophobicContact CG2-CD1 4.06Å; T140-L146 HydrophobicContact CG2-CD2 4.13Å; T140-L146 HydrophobicContact CG2-CG 3.83Å
141	A	35.8	Very low	44.1	Very low	122 Å²	122	113.3 Å²	113.3	100%	1.008	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-12.8	176.3	0	0	0	0	0	114.2
142	A	41.2	Very low	46	Very low	90 Å²	90	108.7 Å²	108.7	74%	0.744	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	3.2	173.6	0	0	0	0	0	113.6	T140	T140-A142 PolarHBondContact O-N 3.4Å; T140-A142 PolarHBondContact OG1-N 3.24Å
143	G	37.2	Very low	47.5	Very low	45 Å²	45	104 Å²	104	46%	0.464	63%	0.632	S	S	.	*	S	Bend	trans	85.6	2.9	174.4	0	0	0	0	0	115.9	T140	T140-G143 PolarHBondContact O-N 3.32Å
144	S	49.5	Very low	49.5	Very low	67 Å²	67	106 Å²	106	47%	0.469	62%	0.624	S	S	.	*			trans	-76.4	138.6	173.7	37.2	0	0	0	0	111.8	R139 T140	R139-S144 WeakPolarHBondContact CA-O 3.1Å; T140-S144 PolarHBondContact N-O 2.96Å; T140-S144 PolarHBondContact OG1-N 3.26Å; T140-S144 PolarHBondContact OG1-OG 3.3Å
145	S	45.6	Very low	51.3	Low	93 Å²	93	107.4 Å²	107.4	65%	0.65	62%	0.624	S	S	*	*	B	Isolated β-bridge	trans	-67.4	128.5	174	49.9	0	0	0	0	110.3	S147	S145-S147 PolarHBondContact O-N 2.86Å
146	L	47.1	Very low	52.9	Low	92 Å²	92	104.6 Å²	104.6	48%	0.482	61%	0.613	S	S	.	*			trans	-79	114.7	172	-83.5	154.8	0	0	0	109.1	F138 T140 I148	F138-L146 HydrophobicContact CB-CD1 4.41Å; F138-L146 PolarHBondContact O-N 3.36Å; T140-L146 HydrophobicContact CG2-CD1 4.06Å; T140-L146 HydrophobicContact CG2-CD2 4.13Å; T140-L146 HydrophobicContact CG2-CG 3.83Å; L146-I148 PolarHBondContact O-N 2.79Å
147	S	48.6	Very low	54.3	Low	118 Å²	118	105.4 Å²	105.4	83%	0.825	61%	0.606	S	S	*	*			trans	-74.3	109.3	166.2	49.8	0	0	0	0	108.6	S145	S145-S147 PolarHBondContact O-N 2.86Å
148	I	53.1	Low	56	Low	94 Å²	94	105.5 Å²	105.5	48%	0.482	60%	0.597	S	S	.	*			trans	-83.5	119.7	175	-57.4	173.3	0	0	0	107.3	L146 A152 L153	L146-I148 PolarHBondContact O-N 2.79Å; I148-A152 HydrophobicContact CG2-CB 4.22Å; I148-L153 HydrophobicContact CG2-CD1 4.14Å; I148-L153 HydrophobicContact CG2-CG 3.9Å
149	E	63.5	Low	57.4	Low	152 Å²	152	102.4 Å²	102.4	71%	0.71	59%	0.59	S	S	*	*			trans	-61.2	140.1	174.2	-72.7	179	170.8	0	0	110.9	D151 A152 L153	E149-D151 PolarHBondContact O-N 2.86Å; E149-A152 WeakPolarHBondContact O-CB 3.43Å; E149-A152 PolarHBondContact O-N 2.84Å; E149-L153 PolarHBondContact O-N 3.28Å
150	Q	63.1	Low	57.4	Low	156 Å²	156	99.6 Å²	99.6	73%	0.729	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-26.1	-174.1	-152.6	158.5	0.7	0	0	112.9	L153 K154	Q150-L153 PolarHBondContact O-N 2.87Å; Q150-K154 PolarHBondContact O-N 2.82Å
151	D	70.3	Confident	57.7	Low	119 Å²	119	101.7 Å²	101.7	64%	0.636	59%	0.592	S	S	*	*	H	α-helix	trans	-71.6	-32.3	173.7	-71.5	-19.8	0	0	0	112.8	E149 L153 K154 K155	E149-D151 PolarHBondContact O-N 2.86Å; D151-L153 VanDerWaalsContact C-N 3.34Å; D151-K154 PolarHBondContact O-N 2.83Å; D151-K155 WeakPolarHBondContact O-CB 3.31Å; D151-K155 PolarHBondContact O-N 2.83Å
152	A	67.1	Low	58.9	Low	50 Å²	50	100.1 Å²	100.1	41%	0.413	57%	0.571	S	S	.	*	H	α-helix	trans	-69	-35.6	173.9	0	0	0	0	0	111.3	I148 E149 K155 A156	I148-A152 HydrophobicContact CG2-CB 4.22Å; E149-A152 WeakPolarHBondContact O-CB 3.43Å; E149-A152 PolarHBondContact O-N 2.84Å; A152-K155 PolarHBondContact O-N 2.82Å; A152-A156 WeakPolarHBondContact O-CB 3.25Å; A152-A156 PolarHBondContact O-N 3.12Å
153	L	60.9	Low	59	Low	96 Å²	96	100.9 Å²	100.9	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-65.3	-47.2	172.1	-84.9	159	0	0	0	111.8	I148 E149 Q150 D151 K155 A156 E157	I148-L153 HydrophobicContact CG2-CD1 4.14Å; I148-L153 HydrophobicContact CG2-CG 3.9Å; E149-L153 PolarHBondContact O-N 3.28Å; Q150-L153 PolarHBondContact O-N 2.87Å; D151-L153 VanDerWaalsContact C-N 3.34Å; L153-K155 VanDerWaalsContact C-N 3.28Å; L153-K155 PolarHBondContact O-N 2.92Å; L153-A156 PolarHBondContact O-N 2.92Å; L153-E157 WeakPolarHBondContact O-CB 3.32Å; L153-E157 PolarHBondContact O-N 2.83Å
154	K	71.5	Confident	59.4	Low	136 Å²	136	102.8 Å²	102.8	59%	0.591	56%	0.561	S	S	*	*	H	α-helix	trans	-59.2	-37.6	174.9	-79.8	-179.1	177.5	173.9	0	112.8	Q150 D151 S158	Q150-K154 PolarHBondContact O-N 2.82Å; D151-K154 PolarHBondContact O-N 2.83Å; K154-S158 PolarHBondContact O-N 2.84Å
155	K	72.9	Confident	59.2	Low	155 Å²	155	102 Å²	102	67%	0.674	56%	0.559	S	S	*	*	H	α-helix	trans	-70.5	-38.8	177	-165.3	174.7	-175.5	177.6	0	112.1	D151 A152 L153 S158 T159	D151-K155 WeakPolarHBondContact O-CB 3.31Å; D151-K155 PolarHBondContact O-N 2.83Å; A152-K155 PolarHBondContact O-N 2.82Å; L153-K155 VanDerWaalsContact C-N 3.28Å; L153-K155 PolarHBondContact O-N 2.92Å; K155-S158 PolarHBondContact O-OG 3.39Å; K155-S158 VanDerWaalsContact O-OG 3.07Å; K155-T159 PolarHBondContact O-N 2.92Å; K155-T159 VanDerWaalsContact O-N 3.13Å; K155-T159 PolarHBondContact O-OG1 3.35Å
156	A	65.7	Low	59.2	Low	57 Å²	57	100.8 Å²	100.8	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-65.4	-42	173.9	0	0	0	0	0	111.4	A152 L153 T159 F160	A152-A156 WeakPolarHBondContact O-CB 3.25Å; A152-A156 PolarHBondContact O-N 3.12Å; L153-A156 PolarHBondContact O-N 2.92Å; A156-T159 PolarHBondContact O-N 3.32Å; A156-F160 WeakPolarHBondContact O-CB 3.37Å; A156-F160 PolarHBondContact O-N 3.04Å
157	E	67	Low	58.9	Low	120 Å²	120	100.9 Å²	100.9	56%	0.561	55%	0.552	S	S	*	*	H	α-helix	trans	-62.8	-43.4	176.8	-169.7	176.9	-166	0	0	112.1	L153 T159 F160 N161	L153-E157 WeakPolarHBondContact O-CB 3.32Å; L153-E157 PolarHBondContact O-N 2.83Å; E157-T159 VanDerWaalsContact C-N 3.32Å; E157-T159 PolarHBondContact O-N 2.91Å; E157-F160 PolarHBondContact O-N 2.9Å; E157-N161 WeakPolarHBondContact O-CB 3.45Å; E157-N161 PolarHBondContact O-N 3.36Å; E157-N161 PolarHBondContact O-ND2 3.29Å
158	S	71.2	Confident	58.6	Low	64 Å²	64	100 Å²	100	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-63.9	-38.5	175.4	80.5	0	0	0	0	112.2	K154 K155 T162	K154-S158 PolarHBondContact O-N 2.84Å; K155-S158 PolarHBondContact O-OG 3.39Å; K155-S158 VanDerWaalsContact O-OG 3.07Å; S158-T162 WeakPolarHBondContact O-CB 3.39Å; S158-T162 PolarHBondContact O-N 3.32Å; S158-T162 PolarHBondContact O-OG1 3Å
159	T	68	Low	57.8	Low	76 Å²	76	102.8 Å²	102.8	47%	0.466	55%	0.552	S	S	.	*	H	α-helix	trans	-67	-40.1	177.4	-45.3	0	0	0	0	111	K155 A156 E157 T162 L163	K155-T159 PolarHBondContact O-N 2.92Å; K155-T159 VanDerWaalsContact O-N 3.13Å; K155-T159 PolarHBondContact O-OG1 3.35Å; A156-T159 PolarHBondContact O-N 3.32Å; E157-T159 VanDerWaalsContact C-N 3.32Å; E157-T159 PolarHBondContact O-N 2.91Å; T159-T162 PolarHBondContact O-N 3.26Å; T159-L163 PolarHBondContact O-N 3.48Å; T159-L163 VanDerWaalsContact O-N 3.15Å
160	F	51.6	Low	56.5	Low	138 Å²	138	103.7 Å²	103.7	61%	0.605	56%	0.556	S	S	*	*	H	α-helix	trans	-69.2	-39.9	179.4	-141.4	-88.5	0	0	0	112.3	A156 E157 T162 L163 N164	A156-F160 WeakPolarHBondContact O-CB 3.37Å; A156-F160 PolarHBondContact O-N 3.04Å; E157-F160 PolarHBondContact O-N 2.9Å; F160-T162 VanDerWaalsContact C-N 3.31Å; F160-T162 PolarHBondContact O-N 2.92Å; F160-L163 PolarHBondContact O-N 3.5Å; F160-N164 PolarHBondContact O-N 3.04Å
161	N	61.9	Low	55.1	Low	95 Å²	95	100.6 Å²	100.6	51%	0.508	55%	0.552	S	S	.	*	H	α-helix	trans	-68.2	-31.3	175.7	-71.4	-25.3	0	0	0	112.1	E157 A165	E157-N161 WeakPolarHBondContact O-CB 3.45Å; E157-N161 PolarHBondContact O-N 3.36Å; E157-N161 PolarHBondContact O-ND2 3.29Å; N161-A165 WeakPolarHBondContact O-CB 3.33Å; N161-A165 PolarHBondContact O-N 3.38Å
162	T	59.1	Low	53.2	Low	90 Å²	90	98.9 Å²	98.9	55%	0.552	55%	0.554	S	S	*	*	H	α-helix	trans	-69.1	-34.7	173.8	-49.1	0	0	0	0	112	S158 T159 F160 T166	S158-T162 WeakPolarHBondContact O-CB 3.39Å; S158-T162 PolarHBondContact O-N 3.32Å; S158-T162 PolarHBondContact O-OG1 3Å; T159-T162 PolarHBondContact O-N 3.26Å; F160-T162 VanDerWaalsContact C-N 3.31Å; F160-T162 PolarHBondContact O-N 2.92Å; T162-T166 PolarHBondContact O-N 2.79Å; T162-T166 PolarHBondContact O-OG1 3.23Å
163	L	45.1	Very low	51.4	Low	105 Å²	105	105.3 Å²	105.3	55%	0.55	58%	0.576	S	S	.	*	H	α-helix	trans	-74.9	-36.1	175.5	-72.5	170.1	0	0	0	112.7	T159 F160 T166 V167	T159-L163 PolarHBondContact O-N 3.48Å; T159-L163 VanDerWaalsContact O-N 3.15Å; F160-L163 PolarHBondContact O-N 3.5Å; L163-T166 WeakPolarHBondContact CA-OG1 3.4Å; L163-T166 PolarHBondContact O-OG1 3.48Å; L163-V167 VanDerWaalsContact O-CG2 3.31Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 3.11Å
164	N	45	Very low	49.9	Very low	85 Å²	85	105.6 Å²	105.6	46%	0.455	59%	0.592	S	S	.	*	H	α-helix	trans	-70.8	-34.5	173.7	-84.9	-17.3	0	0	0	112.4	F160 T166 V167 V168	F160-N164 PolarHBondContact O-N 3.04Å; N164-T166 VanDerWaalsContact C-N 3.34Å; N164-T166 PolarHBondContact O-N 2.93Å; N164-V167 PolarHBondContact O-N 2.8Å; N164-V168 WeakPolarHBondContact O-CB 3.41Å; N164-V168 VanDerWaalsContact O-CG2 3.25Å; N164-V168 WeakPolarHBondContact O-CG2 3.49Å; N164-V168 PolarHBondContact O-N 3.47Å
165	A	44.6	Very low	47.9	Very low	51 Å²	51	103.8 Å²	103.8	42%	0.421	60%	0.602	S	S	.	*	H	α-helix	trans	-66.5	-34.3	175.2	0	0	0	0	0	112.9	N161 Q169	N161-A165 WeakPolarHBondContact O-CB 3.33Å; N161-A165 PolarHBondContact O-N 3.38Å; A165-Q169 WeakPolarHBondContact O-CB 3.49Å; A165-Q169 PolarHBondContact O-N 3Å; A165-Q169 VanDerWaalsContact O-N 3.14Å
166	T	45.2	Very low	45.8	Very low	68 Å²	68	103 Å²	103	42%	0.417	61%	0.605	S	S	.	*	H	α-helix	trans	-74.3	-33.5	176.8	41.6	0	0	0	0	112.6	T162 L163 N164 E170	T162-T166 PolarHBondContact O-N 2.79Å; T162-T166 PolarHBondContact O-OG1 3.23Å; L163-T166 WeakPolarHBondContact CA-OG1 3.4Å; L163-T166 PolarHBondContact O-OG1 3.48Å; N164-T166 VanDerWaalsContact C-N 3.34Å; N164-T166 PolarHBondContact O-N 2.93Å; T166-E170 PolarHBondContact O-N 2.82Å
167	V	42	Very low	44.2	Very low	94 Å²	94	108.4 Å²	108.4	57%	0.57	62%	0.624	S	S	*	*	H	α-helix	trans	-74.4	-31	174.9	174.5	0	0	0	0	112.7	L163 N164 S171	L163-V167 VanDerWaalsContact O-CG2 3.31Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 3.11Å; N164-V167 PolarHBondContact O-N 2.8Å; V167-S171 PolarHBondContact O-OG 2.8Å
168	V	41.4	Very low	42.4	Very low	98 Å²	98	109.8 Å²	109.8	59%	0.594	64%	0.636	S	S	*	*	H	α-helix	trans	-80	-24.7	177.1	175.2	0	0	0	0	112.3	N164 S171	N164-V168 WeakPolarHBondContact O-CB 3.41Å; N164-V168 VanDerWaalsContact O-CG2 3.25Å; N164-V168 WeakPolarHBondContact O-CG2 3.49Å; N164-V168 PolarHBondContact O-N 3.47Å; V168-S171 PolarHBondContact O-OG 2.78Å
169	Q	36.6	Very low	40.3	Very low	153 Å²	153	109.5 Å²	109.5	72%	0.715	64%	0.643	S	S	*	*	H	α-helix	trans	-82.3	-26	173.7	-79.1	-178.3	-25.6	0	0	114	A165 S171	A165-Q169 WeakPolarHBondContact O-CB 3.49Å; A165-Q169 PolarHBondContact O-N 3Å; A165-Q169 VanDerWaalsContact O-N 3.14Å; Q169-S171 VanDerWaalsContact C-N 3.3Å
170	E	35.4	Very low	38.6	Very low	172 Å²	172	117.4 Å²	117.4	80%	0.804	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-12.5	173.3	-75.9	-173.4	161.9	0	0	113.9	T166	T166-E170 PolarHBondContact O-N 2.82Å
171	S	34.9	Very low	37.5	Very low	91 Å²	91	120.6 Å²	120.6	64%	0.636	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	1.9	-179.7	42.8	0	0	0	0	114.6	V167 V168 Q169	V167-S171 PolarHBondContact O-OG 2.8Å; V168-S171 PolarHBondContact O-OG 2.78Å; Q169-S171 VanDerWaalsContact C-N 3.3Å
172	A	30.8	Very low	36	Very low	83 Å²	83	122.4 Å²	122.4	69%	0.686	69%	0.694	S	S	*	*	S	Bend	trans	-111.6	14.1	-178.2	0	0	0	0	0	115.2
173	Q	29	Very low	34.6	Very low	185 Å²	185	123.3 Å²	123.3	86%	0.864	70%	0.702	S	S	*	*			trans	-127	74.9	170.7	-75.6	-174.1	-3.8	0	0	111.6
174	A	29	Very low	33.9	Very low	102 Å²	102	123.7 Å²	123.7	84%	0.843	71%	0.713	S	S	*	*			trans	-155.1	80.9	159.2	0	0	0	0	0	109.4
175	A	28.7	Very low	33.1	Very low	97 Å²	97	127.2 Å²	127.2	80%	0.802	73%	0.73	S	S	*	*			trans	-87.4	138.7	162.5	0	0	0	0	0	109.6
176	D	28.5	Very low	32.5	Very low	138 Å²	138	133 Å²	133	74%	0.738	75%	0.752	S	S	*	*			trans	68.3	109.2	165.9	-75.4	-26.5	0	0	0	120.2
177	I	33.7	Very low	31.7	Very low	171 Å²	171	139.8 Å²	139.8	88%	0.877	77%	0.77	S	S	*	*				-161.9	125.4	99.6	-84.9	149.8	0	0	0	109.6
178	N	28.3	Very low	30.9	Very low	149 Å²	149	141.4 Å²	141.4	80%	0.797	78%	0.78	S	S	*	*			trans	-75.7	154.7	178.6	-84.6	-50.5	0	0	0	114.6
179	G	26.6	Very low	30.9	Very low	58 Å²	58	141.7 Å²	141.7	60%	0.598	78%	0.784	S	S	*	*			trans	111.8	116.6	162.8	0	0	0	0	0	112.1
180	Y	32.3	Very low	30.5	Very low	242 Å²	242	141.9 Å²	141.9	95%	0.949	79%	0.789	S	S	*	*				-155.3	149.9	51.8	-76.1	-88.6	0	0	0	112.9
181	K	29.1	Very low	30.1	Very low	205 Å²	205	138 Å²	138	89%	0.891	78%	0.782	S	S	*	*			trans	-66.8	141.8	178.2	-63.5	170.1	174.5	177.7	0	112.9
182	T	30.8	Very low	29.9	Very low	133 Å²	133	139.1 Å²	139.1	82%	0.816	79%	0.789	S	S	*	*			trans	-75.8	156.4	149.7	43.2	0	0	0	0	110.3
183	P	30.4	Very low	29.9	Very low	110 Å²	110	144.5 Å²	144.5	71%	0.714	80%	0.797	S	S	*	*				-151.8	149.6	101.6	33.7	-13.4	0	0	0	117.5
184	S	28.7	Very low	30.3	Very low	113 Å²	113	141.6 Å²	141.6	79%	0.79	79%	0.794	S	S	*	*				49.4	118.3	127.6	-37.1	0	0	0	0	124
185	I	29.9	Very low	30.1	Very low	158 Å²	158	140.5 Å²	140.5	81%	0.81	79%	0.793	S	S	*	*			trans	-29.2	135.7	149.9	-61.6	159.4	0	0	0	116.9
186	I	30.6	Very low	30.2	Very low	172 Å²	172	141.9 Å²	141.9	88%	0.882	80%	0.797	S	S	*	*			trans	-142	151	140.8	-63.7	-171.5	0	0	0	110.1
187	R	29.1	Very low	30.2	Very low	212 Å²	212	140.4 Å²	140.4	80%	0.8	80%	0.798	S	S	*	*			trans	-85.1	141.6	-160.4	-62.3	168.3	157.1	174.7	-6.6	116.6
188	T	26	Very low	30.1	Very low	127 Å²	127	144.2 Å²	144.2	78%	0.779	80%	0.801	S	S	*	*				52.7	171.1	128.5	64.6	0	0	0	0	123
189	P	40.9	Very low	30	Very low	105 Å²	105	141.9 Å²	141.9	68%	0.682	80%	0.796	S	S	*	*			cis	-141.9	-158.2	-49.3	39.8	-19.2	0	0	0	114
190	L	27.6	Very low	30	Very low	156 Å²	156	147.3 Å²	147.3	82%	0.817	81%	0.811	S	S	*	*			trans	87.2	146.7	173.1	-87.8	78	0	0	0	117.6
191	S	27.1	Very low	29.7	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	80%	0.803	S	S	*	*			cis	-178	166.1	-18.7	47.7	0	0	0	0	109.3
192	S	31.2	Very low	29.6	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	80%	0.799	S	S	*	*			trans	94.1	110.2	155.3	72.2	0	0	0	0	120.7
193	F	30.1	Very low	29.4	Very low	197 Å²	197	137.1 Å²	137.1	86%	0.864	79%	0.794	S	S	*	*			trans	-70.7	-171.7	154.5	-72.8	-88.4	0	0	0	110.9
194	P	38.4	Very low	29.2	Very low	123 Å²	123	139.7 Å²	139.7	80%	0.799	79%	0.793	S	S	*	*			cis	-144.9	170.2	5.4	28.9	-3.2	0	0	0	118.4
195	G	24.6	Very low	29.2	Very low	80 Å²	80	143.1 Å²	143.1	83%	0.825	80%	0.797	S	S	*	*			trans	63.8	121.8	130.3	0	0	0	0	0	123.4
196	S	31.2	Very low	29	Very low	125 Å²	125	143.7 Å²	143.7	87%	0.874	80%	0.8	S	S	*	*				-178.4	141.8	118	-177.9	0	0	0	0	112.5
197	S	27.8	Very low	28.9	Very low	108 Å²	108	145.7 Å²	145.7	76%	0.755	80%	0.797	S	S	*	*			trans	-66.1	152	169.5	-64.4	0	0	0	0	113.1
198	R	30.9	Very low	28.9	Very low	250 Å²	250	140.7 Å²	140.7	94%	0.943	79%	0.792	S	S	*	*			trans	-168.8	147.8	132.4	-102.5	172.4	-163.9	-159.9	4.9	111.8
199	S	27	Very low	29.1	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	80%	0.796	S	S	*	*			trans	-95.5	165.5	-168.1	52.9	0	0	0	0	114.2
200	L	25.4	Very low	28.4	Very low	172 Å²	172	147 Å²	147	90%	0.901	80%	0.801	S	S	*	*			trans	73.3	120.5	158.2	-65.3	167.5	0	0	0	118.6
201	G	27.5	Very low	28.5	Very low	77 Å²	77	146 Å²	146	79%	0.794	80%	0.801	S	S	*	*			trans	-177.1	86.1	169.5	0	0	0	0	0	111.9
202	I	27.3	Very low	28.6	Very low	156 Å²	156	147.8 Å²	147.8	80%	0.8	81%	0.81	S	S	*	*			trans	-64	128.5	166.9	-64.3	163.6	0	0	0	108.6
203	L	25.8	Very low	28.4	Very low	134 Å²	134	148 Å²	148	70%	0.702	81%	0.812	S	S	*	*				160.4	124.6	128.1	-103.1	119.9	0	0	0	111.6
204	K	26	Very low	28.4	Very low	163 Å²	163	143.4 Å²	143.4	71%	0.709	81%	0.81	S	S	*	*			trans	28.9	117.1	138.1	-55	-177.1	-169.9	173	0	117.2
205	H	29	Very low	27.9	Very low	186 Å²	186	147.5 Å²	147.5	86%	0.861	82%	0.816	S	S	*	*				179.3	115.1	102.3	-93.9	-69.3	0	0	0	110.5
206	L	26.2	Very low	28	Very low	169 Å²	169	154.3 Å²	154.3	89%	0.885	82%	0.818	S	S	*	*			trans	-75.2	132.2	161.7	-75.5	161	0	0	0	109.3
207	R	26.7	Very low	27.8	Very low	215 Å²	215	159.5 Å²	159.5	81%	0.811	82%	0.818	S	S	*	*			trans	-169.8	145.1	134.6	-100.7	-159.8	-87.6	-167.3	-1.4	107.4
208	P	30.7	Very low	27.8	Very low	107 Å²	107	159.1 Å²	159.1	70%	0.695	81%	0.813	S	S	*	*				-150.1	161.4	97.8	42.5	-25.9	0	0	0	116.6
209	F	29.7	Very low	27.9	Very low	198 Å²	198	153.5 Å²	153.5	87%	0.868	81%	0.809	S	S	*	*			trans	86.9	109.4	160.2	-68.2	-70.9	0	0	0	120.6
210	E	25.4	Very low	28	Very low	166 Å²	166	157 Å²	157	78%	0.776	82%	0.819	S	S	*	*			trans	-71	145	173	-61	167.4	152.1	0	0	111.5
211	T	30	Very low	28	Very low	136 Å²	136	151.9 Å²	151.9	83%	0.834	81%	0.808	S	S	*	*			trans	-135.1	150.2	154	45.1	0	0	0	0	108.8
212	P	29.3	Very low	28.1	Very low	128 Å²	128	158.7 Å²	158.7	83%	0.831	82%	0.816	S	S	*	*			trans	-86.9	142	-158.2	6.6	10.6	0	0	0	113.1
213	S	26.4	Very low	28.1	Very low	117 Å²	117	155.6 Å²	155.6	82%	0.818	81%	0.814	S	S	*	*			trans	-59.9	126.9	174.9	56.9	0	0	0	0	113.5
214	A	30.8	Very low	28.3	Very low	101 Å²	101	154.5 Å²	154.5	84%	0.835	82%	0.817	S	S	*	*			trans	-111.3	129.9	156.3	0	0	0	0	0	109.3
215	K	27.6	Very low	28.5	Very low	210 Å²	210	155.9 Å²	155.9	91%	0.913	83%	0.826	S	S	*	*			trans	-67.7	123.1	-167.6	-63.2	166.2	179.2	174.2	0	111.7
216	Y	26.4	Very low	28.5	Very low	222 Å²	222	157.1 Å²	157.1	87%	0.871	83%	0.829	S	S	*	*			trans	-105.3	121.4	161.3	-157.3	-97.1	0	0	0	108.7
217	R	27.2	Very low	28.6	Very low	234 Å²	234	152.6 Å²	152.6	88%	0.883	82%	0.823	S	S	*	*			trans	-115.6	119.2	178	-156.1	-172.6	-149.4	-176.9	5.7	106.5
218	P	27.5	Very low	28.7	Very low	100 Å²	100	150.4 Å²	150.4	65%	0.649	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-85.1	148.5	175.8	33.8	-30.4	0	0	0	109.8
219	P	34.8	Very low	28.6	Very low	132 Å²	132	150.2 Å²	150.2	86%	0.857	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-98.7	124.7	161	21.8	-6.3	0	0	0	110.9
220	L	27.5	Very low	28.8	Very low	175 Å²	175	146.7 Å²	146.7	92%	0.916	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-87.4	148.3	165.3	-87.3	157.3	0	0	0	110.6
221	G	26.2	Very low	29.2	Very low	64 Å²	64	144.8 Å²	144.8	66%	0.66	83%	0.826	S	S	*	*			trans	99.1	118.9	165.3	0	0	0	0	0	113.2
222	F	29.1	Very low	29.4	Very low	219 Å²	219	146.5 Å²	146.5	96%	0.961	82%	0.822	S	S	*	*				-157.7	170	50.2	-103.6	-93.4	0	0	0	113.8
223	A	28.8	Very low	29.6	Very low	91 Å²	91	148.8 Å²	148.8	75%	0.752	82%	0.819	S	S	*	*			trans	-74.3	163.6	-160.7	0	0	0	0	0	118.7
224	S	28.4	Very low	30.1	Very low	111 Å²	111	149.5 Å²	149.5	78%	0.776	81%	0.813	S	S	*	*			trans	-23.5	135.4	161.1	-172.9	0	0	0	0	118.1
225	Q	31.2	Very low	30.4	Very low	193 Å²	193	152.8 Å²	152.8	90%	0.902	81%	0.805	S	S	*	*				-161.1	141.5	126.5	-105.5	179.2	30.3	0	0	112.1
226	K	28.1	Very low	31	Very low	212 Å²	212	152 Å²	152	92%	0.922	80%	0.796	S	S	*	*			trans	-64.4	150.2	174.7	-77.3	174.5	170.5	178.3	0	111.9
227	G	28.5	Very low	31.7	Very low	74 Å²	74	148.6 Å²	148.6	76%	0.763	79%	0.786	S	S	*	*			trans	177.7	110.8	161.5	0	0	0	0	0	112.4
228	D	29.6	Very low	32.4	Very low	169 Å²	169	145.1 Å²	145.1	90%	0.904	77%	0.773	S	S	*	*			trans	-54.7	132	170.2	-81	-49	0	0	0	112.3
229	S	29.1	Very low	33.4	Very low	103 Å²	103	145.7 Å²	145.7	72%	0.72	77%	0.765	S	S	*	*			trans	175.2	115.7	135.4	42.9	0	0	0	0	113.3
230	T	32.3	Very low	34.1	Very low	123 Å²	123	141.7 Å²	141.7	76%	0.755	74%	0.743	S	S	*	*			trans	82.2	123.2	140.4	65.5	0	0	0	0	121.9	K232	T230-K232 PolarHBondContact O-N 2.88Å
231	P	33.7	Very low	35.1	Very low	126 Å²	126	136.9 Å²	136.9	82%	0.818	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	86	170.3	36.1	-28.9	0	0	0	110.3
232	K	34.6	Very low	36.2	Very low	173 Å²	173	136.1 Å²	136.1	75%	0.752	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.8	-19.6	165.3	-77.7	-174.2	178.4	173.2	0	113.8	T230	T230-K232 PolarHBondContact O-N 2.88Å
233	F	34	Very low	37.3	Very low	175 Å²	175	130.3 Å²	130.3	77%	0.768	68%	0.681	S	S	*	*	H	α-helix	trans	-79.9	-31.8	-179	-117.8	-90.4	0	0	0	114.3	Y235 K237	F233-Y235 VanDerWaalsContact C-N 3.31Å; F233-Y235 PolarHBondContact O-N 2.79Å; F233-K237 PolarHBondContact O-N 2.83Å
234	L	37.2	Very low	38.5	Very low	132 Å²	132	131.7 Å²	131.7	69%	0.691	68%	0.675	S	S	*	*	H	α-helix	trans	-69.7	-26.1	176.6	-75	166.9	0	0	0	112.9	R238	L234-R238 WeakPolarHBondContact O-CB 3.47Å; L234-R238 VanDerWaalsContact O-CG 3.27Å; L234-R238 WeakPolarHBondContact O-CG 3.44Å; L234-R238 PolarHBondContact O-N 3.12Å; L234-R238 VanDerWaalsContact O-N 3.11Å
235	Y	35.7	Very low	39.2	Very low	170 Å²	170	127.5 Å²	127.5	67%	0.667	64%	0.644	S	S	*	*	H	α-helix	trans	-74.7	-40.2	176.9	-168.6	-99.2	0	0	0	112.4	F233 R238 K239	F233-Y235 VanDerWaalsContact C-N 3.31Å; F233-Y235 PolarHBondContact O-N 2.79Å; Y235-R238 PolarHBondContact O-N 2.87Å; Y235-K239 PolarHBondContact O-N 3.36Å
236	R	40.6	Very low	40.2	Very low	193 Å²	193	123.3 Å²	123.3	73%	0.728	63%	0.628	S	S	*	*	H	α-helix	trans	-65.7	-39.3	175.1	-90.1	-175.7	173.9	169	-2	112.5	K239 A240	R236-K239 PolarHBondContact O-N 3.19Å; R236-A240 WeakPolarHBondContact O-CB 3.42Å; R236-A240 PolarHBondContact O-N 3.12Å
237	K	42.4	Very low	41.5	Very low	151 Å²	151	117.2 Å²	117.2	66%	0.657	61%	0.608	S	S	*	*	H	α-helix	trans	-67.5	-37.8	175.6	-142.3	177.2	-174.4	-178.2	0	111.6	F233 I241	F233-K237 PolarHBondContact O-N 2.83Å; K237-I241 HydrophobicContact CG-CD1 4.49Å; K237-I241 WeakPolarHBondContact O-CB 3.29Å; K237-I241 WeakPolarHBondContact O-CD1 3.47Å; K237-I241 WeakPolarHBondContact O-CG1 3.4Å; K237-I241 PolarHBondContact O-N 2.88Å; K237-I241 VanDerWaalsContact O-N 3.09Å
238	R	42.1	Very low	42.5	Very low	161 Å²	161	115.8 Å²	115.8	61%	0.608	59%	0.589	S	S	*	*	H	α-helix	trans	-63.8	-41.3	172	-79.4	177.3	177.9	-179.1	0.1	112.9	L234 Y235 A242	L234-R238 WeakPolarHBondContact O-CB 3.47Å; L234-R238 VanDerWaalsContact O-CG 3.27Å; L234-R238 WeakPolarHBondContact O-CG 3.44Å; L234-R238 PolarHBondContact O-N 3.12Å; L234-R238 VanDerWaalsContact O-N 3.11Å; Y235-R238 PolarHBondContact O-N 2.87Å; R238-A242 WeakPolarHBondContact O-CB 3.42Å; R238-A242 PolarHBondContact O-N 3Å
239	K	48.2	Very low	43.3	Very low	113 Å²	113	110.1 Å²	110.1	49%	0.491	56%	0.557	S	S	.	*	H	α-helix	trans	-68.7	-43.6	178.9	-158.4	-175.9	-171.9	-111	0	112.3	Y235 R236 I241 A242 E243	Y235-K239 PolarHBondContact O-N 3.36Å; R236-K239 PolarHBondContact O-N 3.19Å; K239-I241 PolarHBondContact O-N 3.22Å; K239-A242 PolarHBondContact O-N 3.45Å; K239-E243 VanDerWaalsContact CE-OE1 3.28Å; K239-E243 WeakPolarHBondContact CE-OE1 3.46Å; K239-E243 HydrophobicContact CG-CG 4.5Å; K239-E243 IonicContact NZ-OE1 2.68Å; K239-E243 PolarHBondContact NZ-OE1 2.75Å; K239-E243 WeakPolarHBondContact O-CB 3.03Å; K239-E243 WeakPolarHBondContact O-CG 3.36Å; K239-E243 PolarHBondContact O-N 2.77Å
240	A	48.6	Very low	44.5	Very low	47 Å²	47	110.2 Å²	110.2	39%	0.388	55%	0.55	S	S	.	.	H	α-helix	trans	-66.1	-37	177.8	0	0	0	0	0	112.7	R236 N244	R236-A240 WeakPolarHBondContact O-CB 3.42Å; R236-A240 PolarHBondContact O-N 3.12Å; A240-N244 WeakPolarHBondContact O-CB 3.39Å; A240-N244 PolarHBondContact O-N 3.47Å; A240-N244 VanDerWaalsContact O-N 3.08Å
241	I	49.5	Very low	45.7	Very low	74 Å²	74	107.7 Å²	107.7	38%	0.379	54%	0.537	S	S	.	.	H	α-helix	trans	-65.8	-47.8	171.9	-67.3	166.5	0	0	0	109.5	K237 K239 E243 N244 L245	K237-I241 HydrophobicContact CG-CD1 4.49Å; K237-I241 WeakPolarHBondContact O-CB 3.29Å; K237-I241 WeakPolarHBondContact O-CD1 3.47Å; K237-I241 WeakPolarHBondContact O-CG1 3.4Å; K237-I241 PolarHBondContact O-N 2.88Å; K237-I241 VanDerWaalsContact O-N 3.09Å; K239-I241 PolarHBondContact O-N 3.22Å; I241-E243 PolarHBondContact O-N 2.99Å; I241-N244 PolarHBondContact O-N 3.08Å; I241-L245 HydrophobicContact CG2-CD1 3.72Å; I241-L245 HydrophobicContact CG2-CG 4.32Å; I241-L245 WeakPolarHBondContact O-CB 3.24Å; I241-L245 WeakPolarHBondContact O-CD1 3.38Å; I241-L245 WeakPolarHBondContact O-CG 3.45Å; I241-L245 PolarHBondContact O-N 3.45Å
242	A	48.4	Very low	46.3	Very low	48 Å²	48	104.1 Å²	104.1	40%	0.397	51%	0.511	S	S	.	.	H	α-helix	trans	-60.9	-37.4	177.5	0	0	0	0	0	114	R238 K239 L245 N246	R238-A242 WeakPolarHBondContact O-CB 3.42Å; R238-A242 PolarHBondContact O-N 3Å; K239-A242 PolarHBondContact O-N 3.45Å; A242-L245 PolarHBondContact O-N 2.89Å; A242-N246 PolarHBondContact O-N 3.03Å; A242-N246 VanDerWaalsContact O-N 3.15Å
243	E	52.2	Low	46.8	Very low	97 Å²	97	97.4 Å²	97.4	45%	0.453	49%	0.485	S	S	.	.	H	α-helix	trans	-70.9	-38.7	177.3	-74.7	170.8	178.5	0	0	112.4	K239 I241 L245 T247	K239-E243 VanDerWaalsContact CE-OE1 3.28Å; K239-E243 WeakPolarHBondContact CE-OE1 3.46Å; K239-E243 HydrophobicContact CG-CG 4.5Å; K239-E243 IonicContact NZ-OE1 2.68Å; K239-E243 PolarHBondContact NZ-OE1 2.75Å; K239-E243 WeakPolarHBondContact O-CB 3.03Å; K239-E243 WeakPolarHBondContact O-CG 3.36Å; K239-E243 PolarHBondContact O-N 2.77Å; I241-E243 PolarHBondContact O-N 2.99Å; E243-L245 VanDerWaalsContact C-N 3.31Å; E243-L245 PolarHBondContact O-N 2.82Å; E243-T247 PolarHBondContact O-N 3.17Å; E243-T247 PolarHBondContact O-OG1 3.09Å
244	N	53.2	Low	47.7	Very low	120 Å²	120	92.1 Å²	92.1	64%	0.642	47%	0.474	S	S	*	.	H	α-helix	trans	-67.2	-31	172.1	-83.3	-8.7	0	0	0	112.8	A240 I241 T247 A248	A240-N244 WeakPolarHBondContact O-CB 3.39Å; A240-N244 PolarHBondContact O-N 3.47Å; A240-N244 VanDerWaalsContact O-N 3.08Å; I241-N244 PolarHBondContact O-N 3.08Å; N244-T247 WeakPolarHBondContact CA-OG1 3.36Å; N244-T247 PolarHBondContact O-OG1 3.32Å; N244-T247 VanDerWaalsContact O-OG1 3.06Å; N244-A248 PolarHBondContact O-N 3.45Å
245	L	44.9	Very low	48.3	Very low	24 Å²	24	92.2 Å²	92.2	13%	0.126	47%	0.469	C	S	.	.	H	α-helix	trans	-71.3	-41.4	177.3	-69.6	167.4	0	0	0	111.5	I241 A242 E243 T247 A248 F249 Q344	I241-L245 HydrophobicContact CG2-CD1 3.72Å; I241-L245 HydrophobicContact CG2-CG 4.32Å; I241-L245 WeakPolarHBondContact O-CB 3.24Å; I241-L245 WeakPolarHBondContact O-CD1 3.38Å; I241-L245 WeakPolarHBondContact O-CG 3.45Å; I241-L245 PolarHBondContact O-N 3.45Å; A242-L245 PolarHBondContact O-N 2.89Å; E243-L245 VanDerWaalsContact C-N 3.31Å; E243-L245 PolarHBondContact O-N 2.82Å; L245-T247 PolarHBondContact O-N 3.41Å; L245-A248 PolarHBondContact O-N 2.81Å; L245-F249 WeakPolarHBondContact O-CB 3.18Å; L245-F249 PolarHBondContact O-N 3.01Å; L245-F249 VanDerWaalsContact O-N 3.11Å; L245-Q344 VanDerWaalsContact CD1-NE2 3.28Å; L245-Q344 HydrophobicContact CD2-CG 3.68Å
246	N	52	Low	48.7	Very low	105 Å²	105	86 Å²	86	56%	0.561	45%	0.445	S	S	*	.	H	α-helix	trans	-63.7	-40.9	176.9	-75.7	-19.9	0	0	0	112.4	A242 F249 D250	A242-N246 PolarHBondContact O-N 3.03Å; A242-N246 VanDerWaalsContact O-N 3.15Å; N246-F249 WeakPolarHBondContact O-CB 3.4Å; N246-F249 PolarHBondContact O-N 3.36Å; N246-F249 VanDerWaalsContact O-N 3.14Å; N246-D250 VanDerWaalsContact O-CG 3.3Å; N246-D250 PolarHBondContact O-N 2.7Å
247	T	55.6	Low	49	Very low	83 Å²	83	80.7 Å²	80.7	51%	0.509	44%	0.443	S	S	.	.	H	α-helix	trans	-67.8	-37.2	179.1	34.1	0	0	0	0	113.4	E243 N244 L245 F249 S251	E243-T247 PolarHBondContact O-N 3.17Å; E243-T247 PolarHBondContact O-OG1 3.09Å; N244-T247 WeakPolarHBondContact CA-OG1 3.36Å; N244-T247 PolarHBondContact O-OG1 3.32Å; N244-T247 VanDerWaalsContact O-OG1 3.06Å; L245-T247 PolarHBondContact O-N 3.41Å; T247-F249 VanDerWaalsContact C-N 3.28Å; T247-F249 PolarHBondContact O-N 2.92Å; T247-S251 PolarHBondContact O-N 3.13Å; T247-S251 PolarHBondContact O-OG 3.06Å
248	A	49.4	Very low	49.3	Very low	44 Å²	44	78.1 Å²	78.1	36%	0.364	44%	0.44	S	S	.	.	H	α-helix	trans	-64.8	-34.1	170.6	0	0	0	0	0	112	N244 L245 S251 L252	N244-A248 PolarHBondContact O-N 3.45Å; L245-A248 PolarHBondContact O-N 2.81Å; A248-S251 WeakPolarHBondContact CA-OG 3.31Å; A248-S251 PolarHBondContact O-OG 2.82Å; A248-L252 WeakPolarHBondContact O-CD1 3.49Å; A248-L252 VanDerWaalsContact O-CG 3.31Å; A248-L252 WeakPolarHBondContact O-CG 3.33Å; A248-L252 PolarHBondContact O-N 2.79Å; A248-L252 VanDerWaalsContact O-N 3.17Å
249	F	46.1	Very low	49.4	Very low	50 Å²	50	72.9 Å²	72.9	22%	0.219	42%	0.424	C	S	.	.	H	α-helix	trans	-74.6	-38.8	179.6	-138.7	-120.3	0	0	0	112.8	L245 N246 T247 S251 L252 S253 P356 R359	L245-F249 WeakPolarHBondContact O-CB 3.18Å; L245-F249 PolarHBondContact O-N 3.01Å; L245-F249 VanDerWaalsContact O-N 3.11Å; N246-F249 WeakPolarHBondContact O-CB 3.4Å; N246-F249 PolarHBondContact O-N 3.36Å; N246-F249 VanDerWaalsContact O-N 3.14Å; T247-F249 VanDerWaalsContact C-N 3.28Å; T247-F249 PolarHBondContact O-N 2.92Å; F249-S251 VanDerWaalsContact C-N 3.35Å; F249-L252 PolarHBondContact O-N 2.93Å; F249-S253 WeakPolarHBondContact O-CB 3.37Å; F249-S253 PolarHBondContact O-N 2.83Å; F249-S253 PolarHBondContact O-OG 3.41Å; F249-P356 HydrophobicContact CE1-CB 3.83Å; F249-P356 HydrophobicContact CZ-CB 3.46Å; F249-P356 VanDerWaalsContact CZ-CB 3.46Å; F249-R359 VanDerWaalsContact CD1-CZ 3.41Å; F249-R359 HydrophobicContact CZ-CG 4.35Å
250	D	54.1	Low	49.3	Very low	106 Å²	106	70.2 Å²	70.2	57%	0.567	43%	0.429	S	S	*	.	H	α-helix	trans	-65.3	-39.8	176.3	-69.4	-24.9	0	0	0	111.5	N246 S253 A254	N246-D250 VanDerWaalsContact O-CG 3.3Å; N246-D250 PolarHBondContact O-N 2.7Å; D250-S253 WeakPolarHBondContact O-CB 3.4Å; D250-S253 PolarHBondContact O-N 3.14Å; D250-A254 PolarHBondContact O-N 2.99Å
251	S	56.5	Low	49.1	Very low	70 Å²	70	72.8 Å²	72.8	49%	0.49	44%	0.444	S	S	.	.	H	α-helix	trans	-69.8	-32.6	176.3	44.6	0	0	0	0	113.5	T247 A248 F249	T247-S251 PolarHBondContact O-N 3.13Å; T247-S251 PolarHBondContact O-OG 3.06Å; A248-S251 WeakPolarHBondContact CA-OG 3.31Å; A248-S251 PolarHBondContact O-OG 2.82Å; F249-S251 VanDerWaalsContact C-N 3.35Å
252	L	46.2	Very low	48.7	Very low	51 Å²	51	73.7 Å²	73.7	27%	0.267	45%	0.452	S	S	.	.	H	α-helix	trans	-68.9	-36.9	169.5	-74.8	166.2	0	0	0	112.4	A248 F249 K255 Q256	A248-L252 WeakPolarHBondContact O-CD1 3.49Å; A248-L252 VanDerWaalsContact O-CG 3.31Å; A248-L252 WeakPolarHBondContact O-CG 3.33Å; A248-L252 PolarHBondContact O-N 2.79Å; A248-L252 VanDerWaalsContact O-N 3.17Å; F249-L252 PolarHBondContact O-N 2.93Å; L252-K255 PolarHBondContact O-N 3.47Å; L252-Q256 PolarHBondContact O-N 3.42Å
253	S	45.9	Very low	48.4	Very low	32 Å²	32	75.4 Å²	75.4	22%	0.224	48%	0.475	C	S	.	.	H	α-helix	trans	-68.1	-35.9	178.9	-51.7	0	0	0	0	112.1	F249 D250 K255 Q256 A257 R359	F249-S253 WeakPolarHBondContact O-CB 3.37Å; F249-S253 PolarHBondContact O-N 2.83Å; F249-S253 PolarHBondContact O-OG 3.41Å; D250-S253 WeakPolarHBondContact O-CB 3.4Å; D250-S253 PolarHBondContact O-N 3.14Å; S253-K255 PolarHBondContact O-N 3.25Å; S253-Q256 WeakPolarHBondContact O-CB 3.45Å; S253-Q256 PolarHBondContact O-N 3.1Å; S253-Q256 VanDerWaalsContact O-N 3.16Å; S253-A257 PolarHBondContact O-N 3.32Å; S253-R359 PolarHBondContact OG-NH1 3.34Å
254	A	53.8	Low	48.3	Very low	63 Å²	63	73.6 Å²	73.6	52%	0.521	47%	0.468	S	S	.	.	H	α-helix	trans	-64.6	-35.8	174.8	0	0	0	0	0	113.2	D250 Q256 T258	D250-A254 PolarHBondContact O-N 2.99Å; A254-Q256 VanDerWaalsContact C-N 3.26Å; A254-Q256 PolarHBondContact O-N 3.03Å; A254-T258 PolarHBondContact O-OG1 3.31Å; A254-T258 VanDerWaalsContact O-OG1 3.07Å
255	K	49.4	Very low	48.1	Very low	134 Å²	134	73 Å²	73	58%	0.583	47%	0.474	S	S	*	.	H	α-helix	trans	-67.2	-26.3	172.7	-79	-174.9	174.8	-177.1	0	113.1	L252 S253 T258 L259	L252-K255 PolarHBondContact O-N 3.47Å; S253-K255 PolarHBondContact O-N 3.25Å; K255-T258 WeakPolarHBondContact CA-OG1 3.37Å; K255-T258 PolarHBondContact O-OG1 3.25Å; K255-L259 WeakPolarHBondContact O-CD1 3.33Å
256	Q	42.9	Very low	48.7	Very low	39 Å²	39	74.1 Å²	74.1	18%	0.182	48%	0.483	C	S	.	.	H	α-helix	trans	-79.3	-39.1	-177.2	-142.3	177.5	-22.2	0	0	111.8	L252 S253 A254 T258 L259 G260 C362	L252-Q256 PolarHBondContact O-N 3.42Å; S253-Q256 WeakPolarHBondContact O-CB 3.45Å; S253-Q256 PolarHBondContact O-N 3.1Å; S253-Q256 VanDerWaalsContact O-N 3.16Å; A254-Q256 VanDerWaalsContact C-N 3.26Å; A254-Q256 PolarHBondContact O-N 3.03Å; Q256-T258 PolarHBondContact O-N 3.47Å; Q256-L259 PolarHBondContact O-N 3.12Å; Q256-G260 PolarHBondContact O-N 2.83Å; Q256-C362 VanDerWaalsContact CD-CB 3.46Å; Q256-C362 HydrophobicContact CG-CB 3.35Å; Q256-C362 PolarHBondContact NE2-SG 3.48Å
257	A	48.2	Very low	49.9	Very low	82 Å²	82	72.2 Å²	72.2	68%	0.678	48%	0.478	S	S	*	.	H	α-helix	trans	-63.8	-28.1	176.3	0	0	0	0	0	112.9	S253	S253-A257 PolarHBondContact O-N 3.32Å
258	T	48.2	Very low	51.2	Low	97 Å²	97	69.2 Å²	69.2	60%	0.595	46%	0.462	S	S	*	.	H	α-helix	trans	-80.4	-20.5	176.3	30.3	0	0	0	0	113.7	A254 K255 Q256	A254-T258 PolarHBondContact O-OG1 3.31Å; A254-T258 VanDerWaalsContact O-OG1 3.07Å; K255-T258 WeakPolarHBondContact CA-OG1 3.37Å; K255-T258 PolarHBondContact O-OG1 3.25Å; Q256-T258 PolarHBondContact O-N 3.47Å
259	L	44.8	Very low	53	Low	51 Å²	51	67.4 Å²	67.4	27%	0.267	45%	0.447	S	S	.	.	H	α-helix	trans	-87	-22.1	178.2	-79.9	157.7	0	0	0	113.4	K255 Q256 S261 L264	K255-L259 WeakPolarHBondContact O-CD1 3.33Å; Q256-L259 PolarHBondContact O-N 3.12Å; L259-S261 PolarHBondContact O-N 2.73Å; L259-L264 HydrophobicContact CB-CD1 4.09Å; L259-L264 HydrophobicContact CD2-CD1 3.53Å; L259-L264 HydrophobicContact CD2-CD2 3.74Å; L259-L264 HydrophobicContact CD2-CG 4.23Å; L259-L264 HydrophobicContact CG-CD1 4.42Å; L259-L264 WeakPolarHBondContact O-CD1 3.38Å
260	G	44.5	Very low	55.1	Low	57 Å²	57	73 Å²	73	59%	0.588	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.4	-179.6	0	0	0	0	0	115.3	Q256	Q256-G260 PolarHBondContact O-N 2.83Å
261	S	44.5	Very low	56.6	Low	102 Å²	102	68.3 Å²	68.3	71%	0.713	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	0.7	-174.6	68.1	0	0	0	0	115	L259	L259-S261 PolarHBondContact O-N 2.73Å
262	V	41.9	Very low	58.2	Low	92 Å²	92	65.8 Å²	65.8	56%	0.558	42%	0.422	S	S	*	.	S	Bend	trans	-123	129.9	-177.5	-176	0	0	0	0	108.8	L264	V262-L264 VanDerWaalsContact C-N 3.35Å; V262-L264 PolarHBondContact O-N 3.11Å
263	G	42.4	Very low	60.3	Low	85 Å²	85	66.8 Å²	66.8	88%	0.876	43%	0.428	S	S	*	.			trans	-62.6	94.1	172.1	0	0	0	0	0	110.2
264	L	49.3	Very low	62.3	Low	59 Å²	59	70.4 Å²	70.4	31%	0.309	44%	0.444	S	S	.	.			trans	-78.2	135.8	-178.5	-72.3	153	0	0	0	110.2	L259 V262 S266 D365	L259-L264 HydrophobicContact CB-CD1 4.09Å; L259-L264 HydrophobicContact CD2-CD1 3.53Å; L259-L264 HydrophobicContact CD2-CD2 3.74Å; L259-L264 HydrophobicContact CD2-CG 4.23Å; L259-L264 HydrophobicContact CG-CD1 4.42Å; L259-L264 WeakPolarHBondContact O-CD1 3.38Å; V262-L264 VanDerWaalsContact C-N 3.35Å; V262-L264 PolarHBondContact O-N 3.11Å; L264-S266 PolarHBondContact O-N 2.98Å; L264-D365 HydrophobicContact CB-CB 4.38Å
265	S	49	Very low	63.8	Low	107 Å²	107	70.9 Å²	70.9	75%	0.748	43%	0.432	S	S	*	.			trans	-68.3	118.3	171.9	179.9	0	0	0	0	109	S267	S265-S267 PolarHBondContact O-N 3.29Å
266	S	59	Low	65.5	Low	47 Å²	47	68.1 Å²	68.1	33%	0.329	43%	0.43	S	S	.	.			trans	-74	97.3	-176.2	67.8	0	0	0	0	111.7	L264 A268 E413	L264-S266 PolarHBondContact O-N 2.98Å; S266-A268 PolarHBondContact O-N 3.33Å; S266-E413 WeakPolarHBondContact CB-OE2 3.46Å; S266-E413 PolarHBondContact OG-OE2 2.99Å
267	S	76.9	Confident	67.6	Low	65 Å²	65	75.2 Å²	75.2	46%	0.455	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-70.6	121.1	167.9	69.5	0	0	0	0	109.1	S265 D365 R405	S265-S267 PolarHBondContact O-N 3.29Å; S267-D365 WeakPolarHBondContact CB-OD2 3.27Å; S267-D365 PolarHBondContact N-OD2 2.97Å; S267-D365 PolarHBondContact OG-OD2 3.45Å; S267-R405 PolarHBondContact O-NH2 3.34Å
268	A	82.8	Confident	68.7	Low	21 Å²	21	73.6 Å²	73.6	17%	0.174	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-68	142.2	176.6	0	0	0	0	0	110.2	S266 F272 N273	S266-A268 PolarHBondContact O-N 3.33Å; A268-F272 HydrophobicContact CB-CB 4.42Å; A268-F272 HydrophobicContact CB-CD1 3.71Å; A268-F272 HydrophobicContact CB-CE1 4.46Å; A268-F272 HydrophobicContact CB-CG 4.36Å; A268-N273 PolarHBondContact O-ND2 3.5Å
269	G	86.7	Confident	70	Confident	5 Å²	5	80.1 Å²	80.1	5%	0.052	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-64.2	163.7	178.5	0	0	0	0	0	113.4	L271 F272 N273 D339 D409	G269-L271 VanDerWaalsContact C-N 3.34Å; G269-L271 PolarHBondContact O-N 2.65Å; G269-F272 PolarHBondContact O-N 3.37Å; G269-N273 PolarHBondContact O-N 2.77Å; G269-N273 PolarHBondContact O-ND2 3.01Å; G269-D339 WeakPolarHBondContact CA-OD2 3.35Å; G269-D409 WeakPolarHBondContact CA-OD2 3.45Å; G269-D409 PolarHBondContact N-OD2 3.13Å
270	R	89.2	Confident	71.4	Confident	167 Å²	167	84.4 Å²	84.4	63%	0.63	48%	0.476	S	S	*	.	H	α-helix	trans	-58.3	-44.3	-175.1	-74.7	172.4	-173	166.1	-0.5	112.2	L274 G338 D339 L402	R270-L274 WeakPolarHBondContact O-CB 3.3Å; R270-L274 PolarHBondContact O-N 2.91Å; R270-G338 PolarHBondContact NH1-O 3.1Å; R270-G338 VanDerWaalsContact NH1-O 3.14Å; R270-D339 WeakPolarHBondContact CB-OD1 3.27Å; R270-D339 WeakPolarHBondContact CD-OD1 3.38Å; R270-D339 WeakPolarHBondContact CG-OD1 3.3Å; R270-D339 PolarHBondContact N-OD1 2.98Å; R270-D339 PolarHBondContact N-OD2 2.8Å; R270-D339 IonicContact NE-OD1 2.8Å; R270-L402 HydrophobicContact CB-CD2 4.3Å
271	L	87.2	Confident	73.1	Confident	8 Å²	8	87.2 Å²	87.2	4%	0.042	48%	0.477	C	S	.	.	H	α-helix	trans	-68	-37.2	-179.6	-91.9	-177	0	0	0	112.8	G269 L274 R275 L402 E403 Y406	G269-L271 VanDerWaalsContact C-N 3.34Å; G269-L271 PolarHBondContact O-N 2.65Å; L271-L274 PolarHBondContact O-N 3.08Å; L271-R275 WeakPolarHBondContact O-CB 3.34Å; L271-R275 WeakPolarHBondContact O-CG 3.47Å; L271-R275 PolarHBondContact O-N 2.72Å; L271-L402 HydrophobicContact CD1-CB 3.5Å; L271-L402 VanDerWaalsContact CD1-CB 3.5Å; L271-L402 HydrophobicContact CG-CB 3.97Å; L271-E403 HydrophobicContact CD1-CG 4.01Å; L271-Y406 HydrophobicContact CB-CD2 4.49Å; L271-Y406 HydrophobicContact CB-CG 4.41Å
272	F	89.1	Confident	74.8	Confident	18 Å²	18	86.4 Å²	86.4	8%	0.079	46%	0.462	C	S	.	.	H	α-helix	trans	-63.5	-50.7	176.3	-174.6	-86.4	0	0	0	110.4	A268 G269 L274 R275 S276 Y406 D409 R410 R414	A268-F272 HydrophobicContact CB-CB 4.42Å; A268-F272 HydrophobicContact CB-CD1 3.71Å; A268-F272 HydrophobicContact CB-CE1 4.46Å; A268-F272 HydrophobicContact CB-CG 4.36Å; G269-F272 PolarHBondContact O-N 3.37Å; F272-L274 VanDerWaalsContact C-N 3.31Å; F272-L274 PolarHBondContact O-N 3.42Å; F272-R275 PolarHBondContact O-N 2.73Å; F272-S276 VanDerWaalsContact CE1-OG 3.28Å; F272-S276 WeakPolarHBondContact CE1-OG 3.41Å; F272-S276 WeakPolarHBondContact O-CB 3.4Å; F272-S276 PolarHBondContact O-N 3.45Å; F272-S276 PolarHBondContact O-OG 3.39Å; F272-Y406 HydrophobicContact CB-CD2 4.01Å; F272-Y406 HydrophobicContact CD2-CD2 4.08Å; F272-Y406 HydrophobicContact CD2-CE2 4.03Å; F272-D409 HydrophobicContact CB-CB 3.96Å; F272-D409 WeakPolarHBondContact CB-OD2 3.48Å; F272-D409 HydrophobicContact CD2-CB 3.73Å; F272-D409 HydrophobicContact CE2-CB 4.49Å; F272-D409 HydrophobicContact CG-CB 3.88Å; F272-R410 HydrophobicContact CD2-CB 4.33Å; F272-R410 HydrophobicContact CE2-CB 4.26Å; F272-R414 HydrophobicContact CE1-CG 4.31Å; F272-R414 HydrophobicContact CE2-CG 3.87Å; F272-R414 HydrophobicContact CZ-CG 3.56Å
273	N	90.1	Very high	76.4	Confident	71 Å²	71	86.3 Å²	86.3	38%	0.38	46%	0.458	S	S	.	.	H	α-helix	trans	-57.8	-42.7	176.7	-75	-39	0	0	0	112.5	A268 G269 S276 R277	A268-N273 PolarHBondContact O-ND2 3.5Å; G269-N273 PolarHBondContact O-N 2.77Å; G269-N273 PolarHBondContact O-ND2 3.01Å; N273-S276 PolarHBondContact O-N 2.73Å; N273-R277 WeakPolarHBondContact O-CG 3.28Å
274	L	88.1	Confident	78.1	Confident	108 Å²	108	87.7 Å²	87.7	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-62.8	-46.6	178.3	-174	69	0	0	0	111.7	R270 L271 F272 R277	R270-L274 WeakPolarHBondContact O-CB 3.3Å; R270-L274 PolarHBondContact O-N 2.91Å; L271-L274 PolarHBondContact O-N 3.08Å; F272-L274 VanDerWaalsContact C-N 3.31Å; F272-L274 PolarHBondContact O-N 3.42Å; L274-R277 PolarHBondContact O-N 3.25Å
275	R	86.6	Confident	79.6	Confident	74 Å²	74	92.2 Å²	92.2	28%	0.279	45%	0.454	S	S	.	.	H	α-helix	trans	-70	-33.8	-179.2	-71.9	-176.9	-177.5	-173.7	10.6	112	L271 F272 R277 G278 F280 E403 Y406	L271-R275 WeakPolarHBondContact O-CB 3.34Å; L271-R275 WeakPolarHBondContact O-CG 3.47Å; L271-R275 PolarHBondContact O-N 2.72Å; F272-R275 PolarHBondContact O-N 2.73Å; R275-R277 PolarHBondContact O-N 3.22Å; R275-G278 PolarHBondContact O-N 3.06Å; R275-F280 HydrophobicContact CB-CE1 3.98Å; R275-F280 HydrophobicContact CG-CE1 4.24Å; R275-F280 WeakPolarHBondContact O-CE1 3.27Å; R275-F280 WeakPolarHBondContact O-CZ 3.27Å; R275-E403 IonicContact CZ-OE1 2.76Å; R275-E403 IonicContact CZ-OE2 3.64Å; R275-E403 IonicContact NH1-OE2 2.91Å; R275-E403 VanDerWaalsContact NH2-CD 3.27Å; R275-E403 IonicContact NH2-OE1 3.38Å; R275-E403 PolarHBondContact NH2-OE1 3.28Å; R275-E403 IonicContact NH2-OE2 3.76Å; R275-E403 PolarHBondContact NH2-OE2 3.23Å; R275-Y406 HydrophobicContact CB-CE2 4.4Å
276	S	85.2	Confident	80.6	Confident	75 Å²	75	92.5 Å²	92.5	52%	0.524	44%	0.442	S	S	.	.	H	α-helix	trans	-66.7	-19.3	179.4	-64.3	0	0	0	0	113.7	F272 N273 G278	F272-S276 VanDerWaalsContact CE1-OG 3.28Å; F272-S276 WeakPolarHBondContact CE1-OG 3.41Å; F272-S276 WeakPolarHBondContact O-CB 3.4Å; F272-S276 PolarHBondContact O-N 3.45Å; F272-S276 PolarHBondContact O-OG 3.39Å; N273-S276 PolarHBondContact O-N 2.73Å; S276-G278 PolarHBondContact O-N 3.28Å
277	R	85	Confident	80.8	Confident	188 Å²	188	92 Å²	92	71%	0.709	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-2.1	176.8	-68.7	170.9	-178.5	-175.4	-0.1	114.7	N273 L274 R275 R279	N273-R277 WeakPolarHBondContact O-CG 3.28Å; L274-R277 PolarHBondContact O-N 3.25Å; R275-R277 PolarHBondContact O-N 3.22Å; R277-R279 PolarHBondContact O-N 2.81Å; R277-R279 VanDerWaalsContact O-N 3.1Å
278	G	72	Confident	80.1	Confident	48 Å²	48	91.7 Å²	91.7	50%	0.495	43%	0.431	S	S	.	.			trans	74.7	-2.7	171.4	0	0	0	0	0	116.6	R275 S276 F280	R275-G278 PolarHBondContact O-N 3.06Å; S276-G278 PolarHBondContact O-N 3.28Å; G278-F280 VanDerWaalsContact O-CD2 3.32Å; G278-F280 WeakPolarHBondContact O-CD2 3.14Å; G278-F280 PolarHBondContact O-N 3.44Å; G278-F280 VanDerWaalsContact O-N 3.16Å
279	R	75.5	Confident	78.9	Confident	234 Å²	234	99 Å²	99	88%	0.883	46%	0.462	S	S	*	.			trans	-84.9	85.3	178.2	-65	-175.6	-175.6	169.2	1.3	110.5	R277	R277-R279 PolarHBondContact O-N 2.81Å; R277-R279 VanDerWaalsContact O-N 3.1Å
280	F	75.4	Confident	77.3	Confident	141 Å²	141	106 Å²	106	62%	0.618	50%	0.498	S	S	*	.			trans	-105.5	135.9	180	-54.1	-74.7	0	0	0	112.5	R275 G278	R275-F280 HydrophobicContact CB-CE1 3.98Å; R275-F280 HydrophobicContact CG-CE1 4.24Å; R275-F280 WeakPolarHBondContact O-CE1 3.27Å; R275-F280 WeakPolarHBondContact O-CZ 3.27Å; G278-F280 VanDerWaalsContact O-CD2 3.32Å; G278-F280 WeakPolarHBondContact O-CD2 3.14Å; G278-F280 PolarHBondContact O-N 3.44Å; G278-F280 VanDerWaalsContact O-N 3.16Å
281	I	79	Confident	75.4	Confident	117 Å²	117	103.5 Å²	103.5	60%	0.6	49%	0.494	S	S	*	.			trans	-94.4	127.7	164.4	-53.4	169.7	0	0	0	107.5	K285 F286	I281-K285 HydrophobicContact CG2-CB 4.34Å; I281-F286 HydrophobicContact CB-CE2 3.65Å; I281-F286 HydrophobicContact CB-CZ 4.07Å; I281-F286 HydrophobicContact CD1-CE2 4.26Å; I281-F286 HydrophobicContact CD1-CZ 3.76Å; I281-F286 HydrophobicContact CG2-CD2 3.89Å; I281-F286 HydrophobicContact CG2-CE2 3.2Å; I281-F286 HydrophobicContact CG2-CZ 3.66Å
282	Q	79.9	Confident	73.9	Confident	85 Å²	85	107.8 Å²	107.8	40%	0.397	51%	0.509	S	S	.	.			trans	-71.8	134	178.9	-69.6	169.1	-18	0	0	109.9	R284 K285	Q282-R284 HydrophobicContact CB-CG 4.2Å; Q282-R284 PolarHBondContact O-N 2.71Å; Q282-R284 VanDerWaalsContact O-N 3.12Å; Q282-K285 HydrophobicContact CB-CG 4.29Å; Q282-K285 WeakPolarHBondContact O-CB 3.43Å; Q282-K285 PolarHBondContact O-N 2.9Å
283	L	76.2	Confident	72.2	Confident	90 Å²	90	110.1 Å²	110.1	47%	0.471	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-51.4	-41.3	-178.5	-168.9	66.2	0	0	0	112.4	K285 F286 F287 W522	L283-K285 PolarHBondContact O-N 2.89Å; L283-F286 PolarHBondContact O-N 2.95Å; L283-F287 HydrophobicContact CD1-CD2 4.47Å; L283-F287 HydrophobicContact CD1-CE2 3.81Å; L283-F287 HydrophobicContact CG-CD2 4.4Å; L283-F287 HydrophobicContact CG-CE2 4.2Å; L283-F287 WeakPolarHBondContact O-CD2 3.38Å; L283-W522 HydrophobicContact CD2-CE3 4.29Å; L283-W522 HydrophobicContact CD2-CH2 4.28Å; L283-W522 HydrophobicContact CD2-CZ3 3.51Å; L283-W522 HydrophobicContact CG-CH2 4.04Å; L283-W522 HydrophobicContact CG-CZ3 3.76Å
284	R	77.6	Confident	70.8	Confident	113 Å²	113	116.9 Å²	116.9	43%	0.426	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-60.7	-15.4	177.6	72.7	172.4	-177.5	-96.2	9	115.6	Q282 F287 Y523	Q282-R284 HydrophobicContact CB-CG 4.2Å; Q282-R284 PolarHBondContact O-N 2.71Å; Q282-R284 VanDerWaalsContact O-N 3.12Å; R284-F287 VanDerWaalsContact O-O 3.12Å; R284-Y523 HydrophobicContact CB-CD1 3.85Å; R284-Y523 HydrophobicContact CB-CD2 4.39Å; R284-Y523 HydrophobicContact CB-CE1 4.11Å; R284-Y523 HydrophobicContact CB-CG 3.98Å
285	K	81.2	Confident	69.8	Low	155 Å²	155	113.9 Å²	113.9	67%	0.674	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-82.8	-17.1	177.6	-68.6	-172.9	174.8	-170.6	0	112.5	I281 Q282 L283	I281-K285 HydrophobicContact CG2-CB 4.34Å; Q282-K285 HydrophobicContact CB-CG 4.29Å; Q282-K285 WeakPolarHBondContact O-CB 3.43Å; Q282-K285 PolarHBondContact O-N 2.9Å; L283-K285 PolarHBondContact O-N 2.89Å
286	F	69.3	Low	69.4	Low	112 Å²	112	112.7 Å²	112.7	49%	0.491	54%	0.537	S	S	.	.	S	Bend	trans	-89.3	-14	178	-74.5	-76.2	0	0	0	113.4	I281 L283	I281-F286 HydrophobicContact CB-CE2 3.65Å; I281-F286 HydrophobicContact CB-CZ 4.07Å; I281-F286 HydrophobicContact CD1-CE2 4.26Å; I281-F286 HydrophobicContact CD1-CZ 3.76Å; I281-F286 HydrophobicContact CG2-CD2 3.89Å; I281-F286 HydrophobicContact CG2-CE2 3.2Å; I281-F286 HydrophobicContact CG2-CZ 3.66Å; L283-F286 PolarHBondContact O-N 2.95Å
287	F	64.8	Low	69	Low	38 Å²	38	112.5 Å²	112.5	17%	0.167	53%	0.532	C	S	.	.	S	Bend	trans	-126.4	121.2	-175.5	-59.4	-71.8	0	0	0	108.9	L283 R284 A387 L390 W522	L283-F287 HydrophobicContact CD1-CD2 4.47Å; L283-F287 HydrophobicContact CD1-CE2 3.81Å; L283-F287 HydrophobicContact CG-CD2 4.4Å; L283-F287 HydrophobicContact CG-CE2 4.2Å; L283-F287 WeakPolarHBondContact O-CD2 3.38Å; R284-F287 VanDerWaalsContact O-O 3.12Å; F287-A387 HydrophobicContact CE1-CB 3.67Å; F287-A387 HydrophobicContact CE2-CB 4.23Å; F287-A387 HydrophobicContact CZ-CB 3.27Å; F287-L390 HydrophobicContact CZ-CD1 4.11Å; F287-W522 HydrophobicContact CB-CH2 4.05Å; F287-W522 HydrophobicContact CB-CZ2 4.13Å; F287-W522 AromaticContact CD2-CH2 3.62Å; F287-W522 HydrophobicContact CD2-CH2 3.62Å; F287-W522 HydrophobicContact CD2-CZ3 4.29Å; F287-W522 HydrophobicContact CG-CH2 4.1Å
288	S	61.1	Low	68.9	Low	57 Å²	57	111.1 Å²	111.1	40%	0.399	53%	0.534	S	S	.	.			trans	-65	152.1	166.7	73.6	0	0	0	0	109.1	D290 E291	S288-D290 PolarHBondContact O-N 3.33Å; S288-E291 WeakPolarHBondContact CB-OE2 3.31Å; S288-E291 PolarHBondContact N-OE2 2.96Å; S288-E291 PolarHBondContact O-N 3.49Å; S288-E291 WeakPolarHBondContact OG-CB 3.34Å; S288-E291 WeakPolarHBondContact OG-CG 3.01Å; S288-E291 PolarHBondContact OG-N 3.08Å; S288-E291 PolarHBondContact OG-OE2 3.37Å
289	Q	57.2	Low	69.3	Low	174 Å²	174	113.4 Å²	113.4	81%	0.813	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.5	-178.5	-77.3	-172.2	-2.5	0	0	112.6
290	D	53	Low	69.2	Low	152 Å²	152	102.9 Å²	102.9	81%	0.813	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-18.6	-175.1	-63.6	-33.3	0	0	0	113.7	S288 R292	S288-D290 PolarHBondContact O-N 3.33Å; D290-R292 VanDerWaalsContact C-N 3.26Å; D290-R292 PolarHBondContact O-N 2.94Å; D290-R292 VanDerWaalsContact O-N 3.16Å
291	E	50.9	Low	69.4	Low	116 Å²	116	99.4 Å²	99.4	54%	0.542	48%	0.483	S	S	.	.			trans	-82.8	16.3	-173.9	-80.3	165.7	160	0	0	115.3	S288 S293	S288-E291 WeakPolarHBondContact CB-OE2 3.31Å; S288-E291 PolarHBondContact N-OE2 2.96Å; S288-E291 PolarHBondContact O-N 3.49Å; S288-E291 WeakPolarHBondContact OG-CB 3.34Å; S288-E291 WeakPolarHBondContact OG-CG 3.01Å; S288-E291 PolarHBondContact OG-N 3.08Å; S288-E291 PolarHBondContact OG-OE2 3.37Å; E291-S293 PolarHBondContact O-N 3.49Å; E291-S293 VanDerWaalsContact O-N 3.09Å
292	R	54.9	Low	69.5	Low	98 Å²	98	98.1 Å²	98.1	37%	0.37	49%	0.49	S	S	.	.			trans	-81.9	36.5	167.6	-74.8	-179	169.7	-119	-27.6	112.3	D290 Y294 D384 W522	D290-R292 VanDerWaalsContact C-N 3.26Å; D290-R292 PolarHBondContact O-N 2.94Å; D290-R292 VanDerWaalsContact O-N 3.16Å; R292-Y294 PolarHBondContact O-N 3.23Å; R292-D384 IonicContact CZ-OD2 3.74Å; R292-D384 IonicContact NH2-OD2 3.73Å; R292-D384 PolarHBondContact NH2-OD2 3.49Å; R292-W522 VanDerWaalsContact CZ-CB 3.43Å; R292-W522 VanDerWaalsContact CZ-CD2 3.45Å; R292-W522 VanDerWaalsContact NH2-CB 3.31Å
293	S	53.6	Low	69.2	Low	66 Å²	66	97.5 Å²	97.5	46%	0.462	49%	0.489	S	S	.	.			trans	-71.9	123.7	169.1	47.7	0	0	0	0	109.1	E291 L295 Y388	E291-S293 PolarHBondContact O-N 3.49Å; E291-S293 VanDerWaalsContact O-N 3.09Å; S293-L295 PolarHBondContact O-N 2.83Å; S293-Y388 PolarHBondContact O-OH 3.02Å; S293-Y388 VanDerWaalsContact O-OH 3.05Å
294	Y	60.9	Low	69.1	Low	214 Å²	214	95.5 Å²	95.5	84%	0.839	49%	0.49	S	S	*	.			trans	-56.1	103.8	171.1	-68.7	-88.5	0	0	0	109.4	R292	R292-Y294 PolarHBondContact O-N 3.23Å
295	L	66.2	Low	68.9	Low	44 Å²	44	90.4 Å²	90.4	23%	0.23	47%	0.471	C	S	.	.			trans	-71.7	140.4	170.9	-69.5	-175.9	0	0	0	110.1	S293 Q299 L300 L303 Y388	S293-L295 PolarHBondContact O-N 2.83Å; L295-Q299 HydrophobicContact CB-CB 4.09Å; L295-Q299 HydrophobicContact CD1-CB 4.45Å; L295-Q299 HydrophobicContact CD2-CB 4.17Å; L295-Q299 HydrophobicContact CD2-CG 4.49Å; L295-Q299 HydrophobicContact CG-CB 4.48Å; L295-L300 HydrophobicContact CB-CD2 4.24Å; L295-L300 HydrophobicContact CB-CG 4.31Å; L295-L300 HydrophobicContact CD1-CD2 4.34Å; L295-L303 HydrophobicContact CD1-CD1 3.6Å; L295-Y388 HydrophobicContact CB-CD1 4.46Å; L295-Y388 HydrophobicContact CB-CE1 3.91Å; L295-Y388 HydrophobicContact CB-CE2 4.24Å; L295-Y388 HydrophobicContact CD1-CD1 3.57Å; L295-Y388 HydrophobicContact CD1-CD2 3.26Å; L295-Y388 HydrophobicContact CD1-CE1 3.78Å; L295-Y388 HydrophobicContact CD1-CE2 3.47Å; L295-Y388 VanDerWaalsContact CD1-CE2 3.47Å; L295-Y388 HydrophobicContact CD1-CG 3.27Å; L295-Y388 HydrophobicContact CG-CD1 4.29Å; L295-Y388 HydrophobicContact CG-CD2 3.84Å; L295-Y388 HydrophobicContact CG-CE1 3.98Å; L295-Y388 HydrophobicContact CG-CE2 3.48Å; L295-Y388 VanDerWaalsContact CG-CE2 3.48Å; L295-Y388 HydrophobicContact CG-CG 4.2Å; L295-Y388 PolarHBondContact N-OH 2.9Å
296	S	77.7	Confident	68.7	Low	50 Å²	50	86.6 Å²	86.6	35%	0.35	46%	0.456	S	S	.	.			trans	-64.5	156.7	169.9	61.8	0	0	0	0	111.1	E298 Q299 L300	S296-E298 PolarHBondContact O-N 2.99Å; S296-Q299 PolarHBondContact O-N 3.47Å; S296-Q299 VanDerWaalsContact O-N 3.09Å; S296-Q299 VanDerWaalsContact OG-CG 3.26Å; S296-Q299 WeakPolarHBondContact OG-CG 3.34Å; S296-Q299 PolarHBondContact OG-N 3.09Å; S296-Q299 PolarHBondContact OG-OE1 2.97Å; S296-L300 WeakPolarHBondContact O-CG 3.47Å; S296-L300 PolarHBondContact O-N 2.86Å
297	V	78	Confident	69.1	Low	71 Å²	71	86.4 Å²	86.4	43%	0.43	46%	0.456	S	S	.	.	H	α-helix	trans	-53.2	-39	174.4	175.6	0	0	0	0	111	L300 V301 I310	V297-L300 WeakPolarHBondContact O-CB 3.48Å; V297-L300 PolarHBondContact O-N 3.29Å; V297-V301 HydrophobicContact CG1-CG2 4.5Å; V297-V301 WeakPolarHBondContact O-CG2 3.45Å; V297-V301 PolarHBondContact O-N 3Å; V297-I310 HydrophobicContact CG1-CD1 3.86Å; V297-I310 HydrophobicContact CG1-CG2 4.37Å; V297-I310 HydrophobicContact CG2-CG2 4.18Å
298	E	83.4	Confident	69.6	Low	158 Å²	158	86.7 Å²	86.7	74%	0.738	46%	0.463	S	S	*	.	H	α-helix	trans	-64.2	-43.5	178.8	-66.5	163.9	-169.5	0	0	112.1	S296 L300 V301 A302	S296-E298 PolarHBondContact O-N 2.99Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 3.42Å; E298-V301 PolarHBondContact O-N 2.93Å; E298-A302 WeakPolarHBondContact O-CB 3.36Å; E298-A302 PolarHBondContact O-N 3.42Å
299	Q	78.7	Confident	70.3	Confident	96 Å²	96	84.8 Å²	84.8	45%	0.449	45%	0.449	S	S	.	.	H	α-helix	trans	-64.2	-38.5	175.3	-73.9	166.3	-38.4	0	0	111.6	L295 S296 A302 L303	L295-Q299 HydrophobicContact CB-CB 4.09Å; L295-Q299 HydrophobicContact CD1-CB 4.45Å; L295-Q299 HydrophobicContact CD2-CB 4.17Å; L295-Q299 HydrophobicContact CD2-CG 4.49Å; L295-Q299 HydrophobicContact CG-CB 4.48Å; S296-Q299 PolarHBondContact O-N 3.47Å; S296-Q299 VanDerWaalsContact O-N 3.09Å; S296-Q299 VanDerWaalsContact OG-CG 3.26Å; S296-Q299 WeakPolarHBondContact OG-CG 3.34Å; S296-Q299 PolarHBondContact OG-N 3.09Å; S296-Q299 PolarHBondContact OG-OE1 2.97Å; Q299-A302 PolarHBondContact O-N 2.9Å; Q299-L303 VanDerWaalsContact O-CG 3.29Å; Q299-L303 WeakPolarHBondContact O-CG 3.36Å; Q299-L303 PolarHBondContact O-N 3.44Å
300	L	74	Confident	71.1	Confident	13 Å²	13	77.8 Å²	77.8	7%	0.068	42%	0.417	C	S	.	.	H	α-helix	trans	-62.6	-46.8	175.3	-68.4	175.6	0	0	0	112.1	L295 S296 V297 E298 A302 L303 G304 V305 I310 Y388	L295-L300 HydrophobicContact CB-CD2 4.24Å; L295-L300 HydrophobicContact CB-CG 4.31Å; L295-L300 HydrophobicContact CD1-CD2 4.34Å; S296-L300 WeakPolarHBondContact O-CG 3.47Å; S296-L300 PolarHBondContact O-N 2.86Å; V297-L300 WeakPolarHBondContact O-CB 3.48Å; V297-L300 PolarHBondContact O-N 3.29Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 3.42Å; L300-A302 VanDerWaalsContact C-N 3.3Å; L300-A302 PolarHBondContact O-N 3.37Å; L300-L303 PolarHBondContact O-N 3.04Å; L300-G304 PolarHBondContact O-N 3.3Å; L300-V305 HydrophobicContact CB-CB 4.23Å; L300-V305 HydrophobicContact CB-CG2 4.4Å; L300-V305 HydrophobicContact CD2-CG2 4.46Å; L300-V305 VanDerWaalsContact O-CB 3.3Å; L300-V305 WeakPolarHBondContact O-CB 3.47Å; L300-V305 WeakPolarHBondContact O-CG2 2.84Å; L300-V305 PolarHBondContact O-N 3.28Å; L300-I310 HydrophobicContact CB-CD1 3.98Å; L300-I310 HydrophobicContact CB-CG1 4.48Å; L300-I310 HydrophobicContact CD1-CD1 4.43Å; L300-I310 HydrophobicContact CD1-CG1 4.37Å; L300-I310 HydrophobicContact CD1-CG2 4.13Å; L300-Y388 HydrophobicContact CD2-CD1 3.15Å; L300-Y388 HydrophobicContact CD2-CE1 3.38Å; L300-Y388 HydrophobicContact CD2-CG 4.24Å
301	V	80	Confident	72.1	Confident	69 Å²	69	75.7 Å²	75.7	42%	0.418	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-40.5	177.1	174	0	0	0	0	110.4	V297 E298 L303 G304 I310	V297-V301 HydrophobicContact CG1-CG2 4.5Å; V297-V301 WeakPolarHBondContact O-CG2 3.45Å; V297-V301 PolarHBondContact O-N 3Å; E298-V301 PolarHBondContact O-N 2.93Å; V301-L303 VanDerWaalsContact C-N 3.26Å; V301-L303 PolarHBondContact O-N 2.92Å; V301-G304 WeakPolarHBondContact O-CA 3.45Å; V301-G304 PolarHBondContact O-N 2.81Å; V301-I310 HydrophobicContact CG2-CD1 3.61Å
302	A	81.2	Confident	73.2	Confident	89 Å²	89	72.3 Å²	72.3	74%	0.736	39%	0.392	S	S	*	.	H	α-helix	trans	-63.1	-30.6	176	0	0	0	0	0	113.1	E298 Q299 L300 G304	E298-A302 WeakPolarHBondContact O-CB 3.36Å; E298-A302 PolarHBondContact O-N 3.42Å; Q299-A302 PolarHBondContact O-N 2.9Å; L300-A302 VanDerWaalsContact C-N 3.3Å; L300-A302 PolarHBondContact O-N 3.37Å; A302-G304 PolarHBondContact O-N 2.74Å
303	L	73.8	Confident	74	Confident	73 Å²	73	70.5 Å²	70.5	38%	0.382	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	4.3	173	-66.8	172.6	0	0	0	113.4	L295 Q299 L300 V301 Y388	L295-L303 HydrophobicContact CD1-CD1 3.6Å; Q299-L303 VanDerWaalsContact O-CG 3.29Å; Q299-L303 WeakPolarHBondContact O-CG 3.36Å; Q299-L303 PolarHBondContact O-N 3.44Å; L300-L303 PolarHBondContact O-N 3.04Å; V301-L303 VanDerWaalsContact C-N 3.26Å; V301-L303 PolarHBondContact O-N 2.92Å; L303-Y388 HydrophobicContact CD1-CG 4.45Å
304	G	74.1	Confident	74.9	Confident	48 Å²	48	70 Å²	70	50%	0.495	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	14.9	175.7	0	0	0	0	0	114.8	L300 V301 A302 H306 Y392	L300-G304 PolarHBondContact O-N 3.3Å; V301-G304 WeakPolarHBondContact O-CA 3.45Å; V301-G304 PolarHBondContact O-N 2.81Å; A302-G304 PolarHBondContact O-N 2.74Å; G304-H306 PolarHBondContact O-N 2.81Å; G304-Y392 WeakPolarHBondContact O-CB 3.47Å
305	V	73.4	Confident	75.5	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.03	38%	0.378	C	S	.	.			trans	-78	120.1	173.8	-175.4	0	0	0	0	109.7	L300 V309 I310 V391	L300-V305 HydrophobicContact CB-CB 4.23Å; L300-V305 HydrophobicContact CB-CG2 4.4Å; L300-V305 HydrophobicContact CD2-CG2 4.46Å; L300-V305 VanDerWaalsContact O-CB 3.3Å; L300-V305 WeakPolarHBondContact O-CB 3.47Å; L300-V305 WeakPolarHBondContact O-CG2 2.84Å; L300-V305 PolarHBondContact O-N 3.28Å; V305-V309 HydrophobicContact CG1-CB 4.08Å; V305-V309 HydrophobicContact CG1-CG1 4.22Å; V305-I310 HydrophobicContact CG1-CD1 4.46Å; V305-I310 HydrophobicContact CG1-CG1 3.76Å; V305-V391 HydrophobicContact CB-CG1 4.34Å; V305-V391 HydrophobicContact CG1-CG1 3.71Å; V305-V391 HydrophobicContact CG2-CB 3.76Å; V305-V391 HydrophobicContact CG2-CG1 3.67Å
306	H	76.1	Confident	76.1	Confident	75 Å²	75	67 Å²	67	35%	0.347	38%	0.382	S	S	.	.			trans	-66.6	142	179.2	-169.9	-89.7	0	0	0	111.6	G304 S308 V309 D323 M326	G304-H306 PolarHBondContact O-N 2.81Å; H306-S308 VanDerWaalsContact C-N 3.25Å; H306-S308 PolarHBondContact CE1-OG 2.72Å; H306-S308 PolarHBondContact ND1-N 2.84Å; H306-S308 PolarHBondContact ND1-OG 3.3Å; H306-S308 PolarHBondContact O-N 3.48Å; H306-S308 VanDerWaalsContact O-N 3.16Å; H306-V309 HydrophobicContact CB-CG2 4.16Å; H306-V309 VanDerWaalsContact O-CB 3.3Å; H306-V309 WeakPolarHBondContact O-CB 3.36Å; H306-V309 PolarHBondContact O-N 2.93Å; H306-D323 IonicContact CE1-OD2 3.36Å; H306-M326 HydrophobicContact CB-CE 3.71Å; H306-M326 WeakPolarHBondContact ND1-CE 3.49Å
307	H	77.8	Confident	76	Confident	109 Å²	109	64.8 Å²	64.8	51%	0.505	37%	0.367	S	S	.	.	H	α-helix	trans	-60.1	-33.1	-171.5	-155.3	-40.2	0	0	0	113.6	V309 I310	H307-V309 PolarHBondContact O-N 3.25Å; H307-I310 PolarHBondContact O-N 2.83Å
308	S	75.5	Confident	75.9	Confident	44 Å²	44	67.4 Å²	67.4	31%	0.308	37%	0.373	S	S	.	.	H	α-helix	trans	-69.5	-16.4	175.7	58.8	0	0	0	0	113.9	H306 V312 M326	H306-S308 VanDerWaalsContact C-N 3.25Å; H306-S308 PolarHBondContact CE1-OG 2.72Å; H306-S308 PolarHBondContact ND1-N 2.84Å; H306-S308 PolarHBondContact ND1-OG 3.3Å; H306-S308 PolarHBondContact O-N 3.48Å; H306-S308 VanDerWaalsContact O-N 3.16Å; S308-V312 WeakPolarHBondContact O-CG2 3.05Å; S308-M326 WeakPolarHBondContact OG-CE 3.4Å
309	V	75.6	Confident	75.7	Confident	16 Å²	16	65.7 Å²	65.7	10%	0.097	37%	0.369	C	S	.	.	H	α-helix	trans	-83.1	-34.8	175.4	-177.4	0	0	0	0	111.8	V305 H306 H307 N311 V312 F320 M326 V391 L395	V305-V309 HydrophobicContact CG1-CB 4.08Å; V305-V309 HydrophobicContact CG1-CG1 4.22Å; H306-V309 HydrophobicContact CB-CG2 4.16Å; H306-V309 VanDerWaalsContact O-CB 3.3Å; H306-V309 WeakPolarHBondContact O-CB 3.36Å; H306-V309 PolarHBondContact O-N 2.93Å; H307-V309 PolarHBondContact O-N 3.25Å; V309-N311 PolarHBondContact O-N 3.38Å; V309-V312 WeakPolarHBondContact O-CB 3.41Å; V309-V312 WeakPolarHBondContact O-CG2 3.16Å; V309-V312 PolarHBondContact O-N 2.95Å; V309-F320 HydrophobicContact CG2-CZ 4.41Å; V309-M326 HydrophobicContact CG2-CE 3.32Å; V309-V391 HydrophobicContact CG1-CG1 4.31Å; V309-L395 HydrophobicContact CB-CD2 4.17Å; V309-L395 HydrophobicContact CG1-CB 4.49Å; V309-L395 HydrophobicContact CG1-CD2 3.55Å; V309-L395 HydrophobicContact CG2-CD2 3.75Å
310	I	75	Confident	75.7	Confident	27 Å²	27	62 Å²	62	14%	0.138	35%	0.351	C	S	.	.	H	α-helix	trans	-60.1	-34.1	-174.5	-60.6	177.9	0	0	0	111.4	V297 L300 V301 V305 H307 V312	V297-I310 HydrophobicContact CG1-CD1 3.86Å; V297-I310 HydrophobicContact CG1-CG2 4.37Å; V297-I310 HydrophobicContact CG2-CG2 4.18Å; L300-I310 HydrophobicContact CB-CD1 3.98Å; L300-I310 HydrophobicContact CB-CG1 4.48Å; L300-I310 HydrophobicContact CD1-CD1 4.43Å; L300-I310 HydrophobicContact CD1-CG1 4.37Å; L300-I310 HydrophobicContact CD1-CG2 4.13Å; V301-I310 HydrophobicContact CG2-CD1 3.61Å; V305-I310 HydrophobicContact CG1-CD1 4.46Å; V305-I310 HydrophobicContact CG1-CG1 3.76Å; H307-I310 PolarHBondContact O-N 2.83Å; I310-V312 VanDerWaalsContact C-N 3.33Å
311	N	73.9	Confident	75.8	Confident	108 Å²	108	63.6 Å²	63.6	58%	0.578	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	5.6	-179.4	-67.6	-22.9	0	0	0	113.7	V309 C313 N316	V309-N311 PolarHBondContact O-N 3.38Å; N311-C313 PolarHBondContact O-N 3.1Å; N311-N316 PolarHBondContact O-ND2 3.46Å
312	V	73.2	Confident	75.7	Confident	45 Å²	45	60.5 Å²	60.5	27%	0.273	34%	0.342	S	S	.	.			trans	-75.8	125.3	178.1	-179.7	0	0	0	0	109.8	S308 V309 I310 N316 A317 F320	S308-V312 WeakPolarHBondContact O-CG2 3.05Å; V309-V312 WeakPolarHBondContact O-CB 3.41Å; V309-V312 WeakPolarHBondContact O-CG2 3.16Å; V309-V312 PolarHBondContact O-N 2.95Å; I310-V312 VanDerWaalsContact C-N 3.33Å; V312-N316 WeakPolarHBondContact CA-OD1 2.97Å; V312-A317 HydrophobicContact CG1-CB 4.04Å; V312-F320 HydrophobicContact CG2-CD2 3.41Å; V312-F320 VanDerWaalsContact CG2-CD2 3.41Å; V312-F320 HydrophobicContact CG2-CE2 3.68Å; V312-F320 HydrophobicContact CG2-CG 4.29Å
313	C	71.9	Confident	75.4	Confident	61 Å²	61	58.7 Å²	58.7	41%	0.412	32%	0.32	S	S	.	.			trans	-133	175.2	176.4	73.6	0	0	0	0	110.5	N311 K315 N316 A317	N311-C313 PolarHBondContact O-N 3.1Å; C313-K315 PolarHBondContact O-N 3.1Å; C313-K315 VanDerWaalsContact O-N 3.1Å; C313-N316 PolarHBondContact N-OD1 2.84Å; C313-N316 PolarHBondContact O-N 3.2Å; C313-N316 PolarHBondContact O-OD1 2.95Å; C313-A317 VanDerWaalsContact O-CB 3.3Å; C313-A317 WeakPolarHBondContact O-CB 3.33Å; C313-A317 PolarHBondContact O-N 2.93Å
314	C	73.5	Confident	75.3	Confident	54 Å²	54	57.4 Å²	57.4	37%	0.365	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.7	179.6	54.2	0	0	0	0	113.9	S439	C314-S439 PolarHBondContact SG-O 3.27Å
315	K	72	Confident	75.3	Confident	134 Å²	134	58.4 Å²	58.4	58%	0.583	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-33.2	-176.5	-59.1	-168.5	179.7	-155.2	0	114	C313 D440	C313-K315 PolarHBondContact O-N 3.1Å; C313-K315 VanDerWaalsContact O-N 3.1Å; K315-D440 WeakPolarHBondContact CE-OD1 3.4Å; K315-D440 IonicContact NZ-OD1 2.78Å; K315-D440 PolarHBondContact NZ-OD1 3.07Å; K315-D440 IonicContact NZ-OD2 2.74Å
316	N	78.8	Confident	75.4	Confident	62 Å²	62	60.1 Å²	60.1	33%	0.332	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-9.9	-174.9	68.1	11.4	0	0	0	113.4	N311 V312 C313 K318 N319 F320	N311-N316 PolarHBondContact O-ND2 3.46Å; V312-N316 WeakPolarHBondContact CA-OD1 2.97Å; C313-N316 PolarHBondContact N-OD1 2.84Å; C313-N316 PolarHBondContact O-N 3.2Å; C313-N316 PolarHBondContact O-OD1 2.95Å; N316-K318 PolarHBondContact O-N 3.26Å; N316-N319 CarbonylContact O-C 3.57Å; N316-N319 WeakPolarHBondContact O-CA 3.36Å; N316-N319 PolarHBondContact O-N 2.91Å; N316-F320 PolarHBondContact O-N 3.25Å
317	A	76	Confident	75.4	Confident	3 Å²	3	57.8 Å²	57.8	3%	0.025	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-54.9	-38.4	-179.9	0	0	0	0	0	112.9	V312 C313 N319 F320 L379 T381	V312-A317 HydrophobicContact CG1-CB 4.04Å; C313-A317 VanDerWaalsContact O-CB 3.3Å; C313-A317 WeakPolarHBondContact O-CB 3.33Å; C313-A317 PolarHBondContact O-N 2.93Å; A317-N319 PolarHBondContact O-N 3.44Å; A317-F320 WeakPolarHBondContact O-CB 3.48Å; A317-F320 PolarHBondContact O-N 3.06Å; A317-F320 VanDerWaalsContact O-N 3.15Å; A317-L379 WeakPolarHBondContact O-CD2 3.48Å; A317-T381 HydrophobicContact CB-CG2 3.65Å
318	K	75.5	Confident	75.4	Confident	126 Å²	126	59.9 Å²	59.9	55%	0.548	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-58.4	-29.6	175.7	-179.1	174.6	176.3	177.8	0	113.2	N316	N316-K318 PolarHBondContact O-N 3.26Å
319	N	78.6	Confident	75.6	Confident	122 Å²	122	59.1 Å²	59.1	65%	0.652	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-103.1	9.5	-176.3	-58.8	-35.1	0	0	0	112.3	N316 A317	N316-N319 CarbonylContact O-C 3.57Å; N316-N319 WeakPolarHBondContact O-CA 3.36Å; N316-N319 PolarHBondContact O-N 2.91Å; A317-N319 PolarHBondContact O-N 3.44Å
320	F	78.7	Confident	75.6	Confident	19 Å²	19	62.7 Å²	62.7	8%	0.083	35%	0.348	C	S	.	.			trans	-66.3	141.8	-179.4	-179.4	-98.8	0	0	0	111.5	V309 V312 N316 A317 F322 M326 L395	V309-F320 HydrophobicContact CG2-CZ 4.41Å; V312-F320 HydrophobicContact CG2-CD2 3.41Å; V312-F320 VanDerWaalsContact CG2-CD2 3.41Å; V312-F320 HydrophobicContact CG2-CE2 3.68Å; V312-F320 HydrophobicContact CG2-CG 4.29Å; N316-F320 PolarHBondContact O-N 3.25Å; A317-F320 WeakPolarHBondContact O-CB 3.48Å; A317-F320 PolarHBondContact O-N 3.06Å; A317-F320 VanDerWaalsContact O-N 3.15Å; F320-F322 HydrophobicContact CD1-CD2 4.2Å; F320-F322 HydrophobicContact CD1-CE2 4.01Å; F320-F322 HydrophobicContact CD1-CZ 4.33Å; F320-F322 AromaticContact CE1-CD1 3.92Å; F320-F322 HydrophobicContact CE1-CD1 3.92Å; F320-F322 AromaticContact CE1-CD2 3.84Å; F320-F322 HydrophobicContact CE1-CD2 3.84Å; F320-F322 AromaticContact CE1-CE1 3.81Å; F320-F322 HydrophobicContact CE1-CE1 3.81Å; F320-F322 AromaticContact CE1-CE2 3.76Å; F320-F322 HydrophobicContact CE1-CE2 3.76Å; F320-F322 AromaticContact CE1-CG 3.95Å; F320-F322 HydrophobicContact CE1-CG 3.95Å; F320-F322 AromaticContact CE1-CZ 3.74Å; F320-F322 HydrophobicContact CE1-CZ 3.74Å; F320-M326 HydrophobicContact CZ-CE 3.85Å; F320-M326 HydrophobicContact CZ-SD 3.96Å; F320-L395 HydrophobicContact CE1-CD2 3.91Å; F320-L395 HydrophobicContact CE1-CG 4.32Å; F320-L395 HydrophobicContact CE2-CD2 4.33Å; F320-L395 HydrophobicContact CZ-CD2 3.8Å
321	V	78	Confident	75.5	Confident	46 Å²	46	64 Å²	64	28%	0.279	36%	0.358	S	S	.	.			trans	-132.4	127	-172.8	157.7	0	0	0	0	108.7	D323 V349 L350	V321-D323 PolarHBondContact O-N 3.22Å; V321-V349 WeakPolarHBondContact CB-O 3.03Å; V321-V349 WeakPolarHBondContact CG1-O 3.46Å; V321-V349 WeakPolarHBondContact CG2-O 3.45Å; V321-L350 HydrophobicContact CG2-CD2 3.96Å; V321-L350 HydrophobicContact CG2-CG 4.41Å
322	F	78	Confident	75.5	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.018	35%	0.345	C	S	.	.			trans	-84	103.8	173.6	-70.6	-90.9	0	0	0	109.9	F320 M326 L327 V349 L351 L395 V397 V400	F320-F322 HydrophobicContact CD1-CD2 4.2Å; F320-F322 HydrophobicContact CD1-CE2 4.01Å; F320-F322 HydrophobicContact CD1-CZ 4.33Å; F320-F322 AromaticContact CE1-CD1 3.92Å; F320-F322 HydrophobicContact CE1-CD1 3.92Å; F320-F322 AromaticContact CE1-CD2 3.84Å; F320-F322 HydrophobicContact CE1-CD2 3.84Å; F320-F322 AromaticContact CE1-CE1 3.81Å; F320-F322 HydrophobicContact CE1-CE1 3.81Å; F320-F322 AromaticContact CE1-CE2 3.76Å; F320-F322 HydrophobicContact CE1-CE2 3.76Å; F320-F322 AromaticContact CE1-CG 3.95Å; F320-F322 HydrophobicContact CE1-CG 3.95Å; F320-F322 AromaticContact CE1-CZ 3.74Å; F320-F322 HydrophobicContact CE1-CZ 3.74Å; F322-M326 HydrophobicContact CD1-SD 4.04Å; F322-L327 HydrophobicContact CB-CD1 4.25Å; F322-L327 HydrophobicContact CB-CD2 4.04Å; F322-L327 HydrophobicContact CB-CG 4.16Å; F322-V349 WeakPolarHBondContact O-CB 3.31Å; F322-V349 VanDerWaalsContact O-CG2 3.24Å; F322-V349 WeakPolarHBondContact O-CG2 3.49Å; F322-L351 HydrophobicContact CD2-CD1 3.46Å; F322-L351 VanDerWaalsContact CD2-CD1 3.46Å; F322-L351 HydrophobicContact CD2-CG 4.49Å; F322-L351 HydrophobicContact CE2-CD1 3.8Å; F322-L395 HydrophobicContact CE1-CG 4.27Å; F322-L395 WeakPolarHBondContact CE1-O 3.5Å; F322-L395 HydrophobicContact CZ-CD1 4.25Å; F322-L395 HydrophobicContact CZ-CG 4.18Å; F322-V397 HydrophobicContact CB-CG2 3.95Å; F322-V397 HydrophobicContact CD1-CG2 3.76Å; F322-V397 HydrophobicContact CD2-CG2 3.51Å; F322-V397 HydrophobicContact CE1-CG2 4.06Å; F322-V397 HydrophobicContact CE2-CG2 3.81Å; F322-V397 HydrophobicContact CG-CG2 3.46Å; F322-V397 VanDerWaalsContact CG-CG2 3.46Å; F322-V397 HydrophobicContact CZ-CG2 4.07Å; F322-V400 HydrophobicContact CE2-CG2 4.24Å; F322-V400 HydrophobicContact CZ-CG2 3.92Å
323	D	74.3	Confident	75.8	Confident	51 Å²	51	59.5 Å²	59.5	27%	0.273	34%	0.342	S	S	.	.			trans	-67.4	165.3	177.2	63.1	50.3	0	0	0	112.7	H306 V321 S325 M326 L327	H306-D323 IonicContact CE1-OD2 3.36Å; V321-D323 PolarHBondContact O-N 3.22Å; D323-S325 PolarHBondContact O-N 3.45Å; D323-S325 VanDerWaalsContact O-N 3.14Å; D323-S325 WeakPolarHBondContact OD1-CA 3.33Å; D323-S325 WeakPolarHBondContact OD1-CB 3.21Å; D323-S325 PolarHBondContact OD1-N 3.31Å; D323-S325 PolarHBondContact OD1-OG 3.03Å; D323-M326 PolarHBondContact O-N 3.33Å; D323-M326 VanDerWaalsContact O-N 3.16Å; D323-M326 WeakPolarHBondContact OD1-CG 3.43Å; D323-M326 PolarHBondContact OD1-N 3.5Å; D323-L327 WeakPolarHBondContact O-CG 3.31Å; D323-L327 PolarHBondContact O-N 3.05Å
324	S	71.9	Confident	76.1	Confident	46 Å²	46	60.5 Å²	60.5	32%	0.322	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24	179.2	57.1	0	0	0	0	113.2	L327 N328 S329	S324-L327 PolarHBondContact O-N 2.94Å; S324-N328 PolarHBondContact O-N 2.79Å; S324-S329 WeakPolarHBondContact CB-O 3.48Å; S324-S329 PolarHBondContact O-N 3.19Å
325	S	73	Confident	76.4	Confident	69 Å²	69	59.4 Å²	59.4	48%	0.483	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-36	178.7	78.1	0	0	0	0	111.9	D323 L327 N328	D323-S325 PolarHBondContact O-N 3.45Å; D323-S325 VanDerWaalsContact O-N 3.14Å; D323-S325 WeakPolarHBondContact OD1-CA 3.33Å; D323-S325 WeakPolarHBondContact OD1-CB 3.21Å; D323-S325 PolarHBondContact OD1-N 3.31Å; D323-S325 PolarHBondContact OD1-OG 3.03Å; S325-L327 VanDerWaalsContact C-N 3.33Å; S325-N328 PolarHBondContact O-OD1 3.33Å
326	M	75.9	Confident	76.9	Confident	42 Å²	42	58.3 Å²	58.3	21%	0.207	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-34.5	171.2	-69.3	179.2	137.5	0	0	112.7	H306 S308 V309 F320 F322 D323	H306-M326 HydrophobicContact CB-CE 3.71Å; H306-M326 WeakPolarHBondContact ND1-CE 3.49Å; S308-M326 WeakPolarHBondContact OG-CE 3.4Å; V309-M326 HydrophobicContact CG2-CE 3.32Å; F320-M326 HydrophobicContact CZ-CE 3.85Å; F320-M326 HydrophobicContact CZ-SD 3.96Å; F322-M326 HydrophobicContact CD1-SD 4.04Å; D323-M326 PolarHBondContact O-N 3.33Å; D323-M326 VanDerWaalsContact O-N 3.16Å; D323-M326 WeakPolarHBondContact OD1-CG 3.43Å; D323-M326 PolarHBondContact OD1-N 3.5Å
327	L	75.7	Confident	77	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.136	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.6	-174.8	-61.6	174.1	0	0	0	113.7	F322 D323 S324 S325 S329 L335 V345 V349 V397	F322-L327 HydrophobicContact CB-CD1 4.25Å; F322-L327 HydrophobicContact CB-CD2 4.04Å; F322-L327 HydrophobicContact CB-CG 4.16Å; D323-L327 WeakPolarHBondContact O-CG 3.31Å; D323-L327 PolarHBondContact O-N 3.05Å; S324-L327 PolarHBondContact O-N 2.94Å; S325-L327 VanDerWaalsContact C-N 3.33Å; L327-S329 PolarHBondContact O-N 2.74Å; L327-S329 PolarHBondContact O-OG 3.38Å; L327-L335 HydrophobicContact CB-CD2 4.27Å; L327-L335 HydrophobicContact CD1-CD2 4.21Å; L327-L335 HydrophobicContact CD2-CD2 4.26Å; L327-L335 HydrophobicContact CG-CD2 4.48Å; L327-V345 HydrophobicContact CD1-CG1 4.09Å; L327-V345 HydrophobicContact CD1-CG2 4.02Å; L327-V349 HydrophobicContact CD1-CG1 4.46Å; L327-V349 HydrophobicContact CD1-CG2 4.03Å; L327-V397 HydrophobicContact CD2-CB 4.12Å; L327-V397 HydrophobicContact CD2-CG2 3.39Å
328	N	78.8	Confident	77.3	Confident	152 Å²	152	55.6 Å²	55.6	81%	0.813	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	33.1	-172.7	-65.2	-42.2	0	0	0	112.9	S324 S325	S324-N328 PolarHBondContact O-N 2.79Å; S325-N328 PolarHBondContact O-OD1 3.33Å
329	S	78.9	Confident	77.6	Confident	29 Å²	29	51.3 Å²	51.3	20%	0.203	31%	0.306	C	S	.	.			trans	-135.8	132.6	-171.6	-64	0	0	0	0	109.8	S324 L327	S324-S329 WeakPolarHBondContact CB-O 3.48Å; S324-S329 PolarHBondContact O-N 3.19Å; L327-S329 PolarHBondContact O-N 2.74Å; L327-S329 PolarHBondContact O-OG 3.38Å
330	P	76.7	Confident	77.7	Confident	91 Å²	91	47 Å²	47	59%	0.591	29%	0.291	S	S	*	.			trans	-70	149.7	-176.5	27.3	-32.5	0	0	0	111.5	G332 S333	P330-G332 PolarHBondContact O-N 2.69Å; P330-S333 VanDerWaalsContact O-CB 3.29Å; P330-S333 WeakPolarHBondContact O-CB 3.29Å; P330-S333 PolarHBondContact O-N 3.3Å; P330-S333 VanDerWaalsContact O-N 3.15Å; P330-S333 PolarHBondContact O-OG 3.33Å
331	P	72.5	Confident	77.6	Confident	54 Å²	54	46.9 Å²	46.9	35%	0.351	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	138.5	172.3	-23	32.5	0	0	0	112.2	V345 L347	P331-V345 CarbonylContact C-O 3.39Å; P331-V345 WeakPolarHBondContact CA-O 2.97Å; P331-L347 HydrophobicContact CB-CD1 4.36Å; P331-L347 HydrophobicContact CB-CG 3.78Å; P331-L347 HydrophobicContact CG-CD2 4.38Å; P331-L347 HydrophobicContact CG-CG 4Å
332	G	72.9	Confident	77.6	Confident	29 Å²	29	51 Å²	51	30%	0.299	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-0.7	-172.3	0	0	0	0	0	114.9	P330 V345	P330-G332 PolarHBondContact O-N 2.69Å; G332-V345 PolarHBondContact N-O 2.88Å
333	S	80.6	Confident	77.5	Confident	30 Å²	30	51.4 Å²	51.4	21%	0.21	31%	0.306	C	S	.	.			trans	-88.6	161	175.7	65.6	0	0	0	0	112.6	P330 V345	P330-S333 VanDerWaalsContact O-CB 3.29Å; P330-S333 WeakPolarHBondContact O-CB 3.29Å; P330-S333 PolarHBondContact O-N 3.3Å; P330-S333 VanDerWaalsContact O-N 3.15Å; P330-S333 PolarHBondContact O-OG 3.33Å; S333-V345 PolarHBondContact O-N 3.33Å
334	T	78	Confident	77.6	Confident	82 Å²	82	51.5 Å²	51.5	50%	0.503	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.3	173.5	-49.5	0	0	0	0	109	Y342 V343	T334-Y342 HydrophobicContact CG2-CD1 3.85Å; T334-Y342 HydrophobicContact CG2-CG 4.35Å; T334-V343 CarbonylContact C-O 3.56Å; T334-V343 WeakPolarHBondContact CA-O 3.33Å
335	L	80.4	Confident	77.6	Confident	31 Å²	31	49.3 Å²	49.3	16%	0.162	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.6	174.6	64.7	96.5	0	0	0	110.4	L327 A337 V343 V345 V397	L327-L335 HydrophobicContact CB-CD2 4.27Å; L327-L335 HydrophobicContact CD1-CD2 4.21Å; L327-L335 HydrophobicContact CD2-CD2 4.26Å; L327-L335 HydrophobicContact CG-CD2 4.48Å; L335-A337 HydrophobicContact CD1-CB 3.71Å; L335-V343 HydrophobicContact CD1-CB 3.73Å; L335-V343 HydrophobicContact CD1-CG1 4.31Å; L335-V343 HydrophobicContact CD1-CG2 4.16Å; L335-V343 HydrophobicContact CG-CB 3.88Å; L335-V343 HydrophobicContact CG-CG1 4.35Å; L335-V343 PolarHBondContact N-O 3.05Å; L335-V343 PolarHBondContact O-N 3.19Å; L335-V345 HydrophobicContact CD2-CG2 3.44Å; L335-V345 VanDerWaalsContact CD2-CG2 3.44Å; L335-V345 HydrophobicContact CG-CG2 4.38Å; L335-V397 HydrophobicContact CD1-CG1 4.46Å
336	L	80.7	Confident	77.2	Confident	111 Å²	111	49.3 Å²	49.3	58%	0.581	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.5	172.5	-165	76.8	0	0	0	108.7	G340 V341 Y342	L336-G340 WeakPolarHBondContact CD1-O 3.25Å; L336-V341 WeakPolarHBondContact CA-O 3.36Å; L336-Y342 HydrophobicContact CD1-CD1 4.01Å; L336-Y342 HydrophobicContact CD1-CD2 4.19Å; L336-Y342 HydrophobicContact CD1-CE1 3.9Å; L336-Y342 HydrophobicContact CD1-CE2 4.07Å; L336-Y342 HydrophobicContact CD1-CG 4.16Å
337	A	82.7	Confident	76	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.033	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156	-178.6	0	0	0	0	0	112.5	L335 G340 V341 V343 V397 D398 L401	L335-A337 HydrophobicContact CD1-CB 3.71Å; A337-G340 PolarHBondContact O-N 3.16Å; A337-V341 PolarHBondContact N-O 2.85Å; A337-V341 WeakPolarHBondContact O-CB 3.25Å; A337-V341 PolarHBondContact O-N 2.84Å; A337-V343 HydrophobicContact CB-CG2 4.13Å; A337-V397 HydrophobicContact CB-CG1 3.98Å; A337-D398 HydrophobicContact CB-CB 4.47Å; A337-L401 HydrophobicContact CB-CD1 3.64Å
338	G	80.5	Confident	74.4	Confident	4 Å²	4	56.8 Å²	56.8	4%	0.041	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	-128.5	179.8	0	0	0	0	0	113.6	R270 G340 D398	R270-G338 PolarHBondContact NH1-O 3.1Å; R270-G338 VanDerWaalsContact NH1-O 3.14Å; G338-G340 PolarHBondContact O-N 3.44Å; G338-D398 WeakPolarHBondContact CA-OD1 3.28Å; G338-D398 PolarHBondContact N-OD1 2.82Å
339	D	83	Confident	72.7	Confident	36 Å²	36	50 Å²	50	19%	0.193	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	42.9	178.4	-72.4	-27.3	0	0	0	111.8	G269 R270 L402 R405	G269-D339 WeakPolarHBondContact CA-OD2 3.35Å; R270-D339 WeakPolarHBondContact CB-OD1 3.27Å; R270-D339 WeakPolarHBondContact CD-OD1 3.38Å; R270-D339 WeakPolarHBondContact CG-OD1 3.3Å; R270-D339 PolarHBondContact N-OD1 2.98Å; R270-D339 PolarHBondContact N-OD2 2.8Å; R270-D339 IonicContact NE-OD1 2.8Å; D339-L402 VanDerWaalsContact OD1-CD2 3.26Å; D339-L402 WeakPolarHBondContact OD1-CD2 3.37Å; D339-R405 WeakPolarHBondContact OD2-CG 3.42Å
340	G	80.3	Confident	70.4	Confident	32 Å²	32	53.3 Å²	53.3	33%	0.33	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	25.9	175.8	0	0	0	0	0	115.1	L336 A337 G338	L336-G340 WeakPolarHBondContact CD1-O 3.25Å; A337-G340 PolarHBondContact O-N 3.16Å; G338-G340 PolarHBondContact O-N 3.44Å
341	V	77.4	Confident	68.5	Low	16 Å²	16	51.1 Å²	51.1	10%	0.097	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.4	-179.9	179.2	0	0	0	0	110.4	L336 A337 V343 L401	L336-V341 WeakPolarHBondContact CA-O 3.36Å; A337-V341 PolarHBondContact N-O 2.85Å; A337-V341 WeakPolarHBondContact O-CB 3.25Å; A337-V341 PolarHBondContact O-N 2.84Å; V341-V343 HydrophobicContact CG1-CG2 4.39Å; V341-L401 HydrophobicContact CB-CD1 4.16Å; V341-L401 HydrophobicContact CG1-CD1 4.26Å
342	Y	77.7	Confident	66.5	Low	131 Å²	131	53.9 Å²	53.9	51%	0.514	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123	170.6	-66.6	-87.4	0	0	0	110.5	T334 L336	T334-Y342 HydrophobicContact CG2-CD1 3.85Å; T334-Y342 HydrophobicContact CG2-CG 4.35Å; L336-Y342 HydrophobicContact CD1-CD1 4.01Å; L336-Y342 HydrophobicContact CD1-CD2 4.19Å; L336-Y342 HydrophobicContact CD1-CE1 3.9Å; L336-Y342 HydrophobicContact CD1-CE2 4.07Å; L336-Y342 HydrophobicContact CD1-CG 4.16Å
343	V	76.4	Confident	64.8	Low	14 Å²	14	55.3 Å²	55.3	9%	0.085	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125	178.6	179.9	0	0	0	0	108.9	T334 L335 A337 V341 V397 L401	T334-V343 CarbonylContact C-O 3.56Å; T334-V343 WeakPolarHBondContact CA-O 3.33Å; L335-V343 HydrophobicContact CD1-CB 3.73Å; L335-V343 HydrophobicContact CD1-CG1 4.31Å; L335-V343 HydrophobicContact CD1-CG2 4.16Å; L335-V343 HydrophobicContact CG-CB 3.88Å; L335-V343 HydrophobicContact CG-CG1 4.35Å; L335-V343 PolarHBondContact N-O 3.05Å; L335-V343 PolarHBondContact O-N 3.19Å; A337-V343 HydrophobicContact CB-CG2 4.13Å; V341-V343 HydrophobicContact CG1-CG2 4.39Å; V343-V397 HydrophobicContact CG1-CG1 4.32Å; V343-V397 HydrophobicContact CG2-CG1 4Å; V343-L401 HydrophobicContact CG2-CD1 3.59Å
344	Q	75.7	Confident	62.2	Low	53 Å²	53	59 Å²	59	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	134.5	177.4	-170	-176.8	-48.9	0	0	110.6	L245 D346	L245-Q344 VanDerWaalsContact CD1-NE2 3.28Å; L245-Q344 HydrophobicContact CD2-CG 3.68Å; Q344-D346 PolarHBondContact NE2-OD1 2.8Å; Q344-D346 PolarHBondContact NE2-OD2 3.48Å
345	V	71.5	Confident	60	Low	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.31	C	S	.	.			trans	-98.2	103.4	-179.7	-173.9	0	0	0	0	109.3	L327 P331 G332 S333 L335 V349	L327-V345 HydrophobicContact CD1-CG1 4.09Å; L327-V345 HydrophobicContact CD1-CG2 4.02Å; P331-V345 CarbonylContact C-O 3.39Å; P331-V345 WeakPolarHBondContact CA-O 2.97Å; G332-V345 PolarHBondContact N-O 2.88Å; S333-V345 PolarHBondContact O-N 3.33Å; L335-V345 HydrophobicContact CD2-CG2 3.44Å; L335-V345 VanDerWaalsContact CD2-CG2 3.44Å; L335-V345 HydrophobicContact CG-CG2 4.38Å; V345-V349 HydrophobicContact CG1-CG2 3.87Å
346	D	65.2	Low	57.6	Low	68 Å²	68	59.2 Å²	59.2	36%	0.364	32%	0.318	S	S	.	.			trans	-97.2	162.4	173.1	-77.4	-17.6	0	0	0	112.8	Q344 C348 V349	Q344-D346 PolarHBondContact NE2-OD1 2.8Å; Q344-D346 PolarHBondContact NE2-OD2 3.48Å; D346-C348 CarbonylContact O-C 3.58Å; D346-C348 PolarHBondContact O-N 2.88Å; D346-C348 VanDerWaalsContact O-N 3.08Å; D346-V349 WeakPolarHBondContact O-CG2 3.49Å; D346-V349 PolarHBondContact O-N 2.78Å; D346-V349 VanDerWaalsContact O-N 3.13Å
347	L	50.1	Low	55.4	Low	128 Å²	128	55.8 Å²	55.8	67%	0.67	30%	0.304	S	S	*	.	S	Bend	trans	-57.9	-21.8	179.9	-98.6	142.9	0	0	0	113.9	P331	P331-L347 HydrophobicContact CB-CD1 4.36Å; P331-L347 HydrophobicContact CB-CG 3.78Å; P331-L347 HydrophobicContact CG-CD2 4.38Å; P331-L347 HydrophobicContact CG-CG 4Å
348	C	42.7	Very low	53	Low	98 Å²	98	59 Å²	59	66%	0.662	32%	0.316	S	S	*	.	S	Bend	trans	-126.9	98.4	157.8	-64.3	0	0	0	0	104.4	D346 L350	D346-C348 CarbonylContact O-C 3.58Å; D346-C348 PolarHBondContact O-N 2.88Å; D346-C348 VanDerWaalsContact O-N 3.08Å; C348-L350 PolarHBondContact O-N 2.94Å
349	V	42	Very low	50.7	Low	8 Å²	8	62.6 Å²	62.6	5%	0.048	33%	0.329	C	S	.	.			trans	-70.5	71	172.2	-171.4	0	0	0	0	107.5	V321 F322 L327 V345 D346 L351	V321-V349 WeakPolarHBondContact CB-O 3.03Å; V321-V349 WeakPolarHBondContact CG1-O 3.46Å; V321-V349 WeakPolarHBondContact CG2-O 3.45Å; F322-V349 WeakPolarHBondContact O-CB 3.31Å; F322-V349 VanDerWaalsContact O-CG2 3.24Å; F322-V349 WeakPolarHBondContact O-CG2 3.49Å; L327-V349 HydrophobicContact CD1-CG1 4.46Å; L327-V349 HydrophobicContact CD1-CG2 4.03Å; V345-V349 HydrophobicContact CG1-CG2 3.87Å; D346-V349 WeakPolarHBondContact O-CG2 3.49Å; D346-V349 PolarHBondContact O-N 2.78Å; D346-V349 VanDerWaalsContact O-N 3.13Å; V349-L351 HydrophobicContact CG1-CG 4.33Å; V349-L351 PolarHBondContact O-N 2.95Å
350	L	31.1	Very low	48.4	Very low	99 Å²	99	61.5 Å²	61.5	52%	0.518	33%	0.326	S	S	.	.			trans	-59.5	93.2	156.1	-83.2	158.9	0	0	0	105.2	V321 C348 K352	V321-L350 HydrophobicContact CG2-CD2 3.96Å; V321-L350 HydrophobicContact CG2-CG 4.41Å; C348-L350 PolarHBondContact O-N 2.94Å; L350-K352 HydrophobicContact CB-CB 4.16Å; L350-K352 HydrophobicContact CB-CG 4.34Å; L350-K352 HydrophobicContact CD1-CD 4.32Å; L350-K352 HydrophobicContact CD2-CD 4.1Å; L350-K352 HydrophobicContact CD2-CG 3.89Å; L350-K352 PolarHBondContact O-N 2.85Å
351	L	38.2	Very low	46.1	Very low	46 Å²	46	61.7 Å²	61.7	24%	0.241	32%	0.318	C	S	.	.			trans	-64.4	53.4	138.2	-72.5	-176.9	0	0	0	107.7	F322 V349 I353 V397	F322-L351 HydrophobicContact CD2-CD1 3.46Å; F322-L351 VanDerWaalsContact CD2-CD1 3.46Å; F322-L351 HydrophobicContact CD2-CG 4.49Å; F322-L351 HydrophobicContact CE2-CD1 3.8Å; V349-L351 HydrophobicContact CG1-CG 4.33Å; V349-L351 PolarHBondContact O-N 2.95Å; L351-I353 PolarHBondContact O-N 3.47Å; L351-V397 HydrophobicContact CD1-CG2 4.46Å
352	K	30.5	Very low	43.9	Very low	111 Å²	111	61.7 Å²	61.7	48%	0.483	32%	0.318	S	S	.	.			trans	-58.7	109.4	139.9	-96.6	173.2	179.2	-177.4	0	102.2	L350 Q354	L350-K352 HydrophobicContact CB-CB 4.16Å; L350-K352 HydrophobicContact CB-CG 4.34Å; L350-K352 HydrophobicContact CD1-CD 4.32Å; L350-K352 HydrophobicContact CD2-CD 4.1Å; L350-K352 HydrophobicContact CD2-CG 3.89Å; L350-K352 PolarHBondContact O-N 2.85Å; K352-Q354 HydrophobicContact CB-CB 4.12Å; K352-Q354 HydrophobicContact CB-CG 3.96Å; K352-Q354 HydrophobicContact CD-CG 4.16Å; K352-Q354 HydrophobicContact CG-CG 4.37Å; K352-Q354 PolarHBondContact O-N 3.32Å
353	I	35.4	Very low	41.9	Very low	60 Å²	60	58.5 Å²	58.5	31%	0.308	31%	0.308	S	S	.	.			trans	-63.9	64.2	151.9	-55.2	168.3	0	0	0	106.1	L351 C375 L379	L351-I353 PolarHBondContact O-N 3.47Å; I353-C375 HydrophobicContact CB-CB 4.41Å; I353-C375 HydrophobicContact CD1-CB 4.25Å; I353-C375 HydrophobicContact CG2-CB 3.48Å; I353-C375 VanDerWaalsContact CG2-CB 3.48Å; I353-L379 HydrophobicContact CD1-CD1 4.43Å
354	Q	26.9	Very low	39.8	Very low	106 Å²	106	58.9 Å²	58.9	50%	0.495	31%	0.313	S	S	.	.			trans	-78.3	156.8	156.7	-93	-178	-30.6	0	0	105.4	K352 P356 S357	K352-Q354 HydrophobicContact CB-CB 4.12Å; K352-Q354 HydrophobicContact CB-CG 3.96Å; K352-Q354 HydrophobicContact CD-CG 4.16Å; K352-Q354 HydrophobicContact CG-CG 4.37Å; K352-Q354 PolarHBondContact O-N 3.32Å; Q354-P356 HydrophobicContact CB-CG 4.03Å; Q354-P356 WeakPolarHBondContact O-CD 3.2Å; Q354-P356 WeakPolarHBondContact O-CG 3.34Å; Q354-S357 PolarHBondContact O-N 3.37Å
355	P	31.4	Very low	37.9	Very low	66 Å²	66	58.2 Å²	58.2	43%	0.429	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-40.6	-26	-176.6	11.7	-28	0	0	0	117.8	S357 K358	P355-S357 PolarHBondContact O-N 2.76Å; P355-S357 VanDerWaalsContact O-N 3.16Å; P355-K358 VanDerWaalsContact O-CB 3.26Å; P355-K358 WeakPolarHBondContact O-CB 3.26Å; P355-K358 PolarHBondContact O-N 2.91Å
356	P	30.5	Very low	35.8	Very low	52 Å²	52	59.4 Å²	59.4	34%	0.338	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-50.2	-27.9	166.5	15.1	-33.8	0	0	0	116.8	F249 Q354 K358 R359	F249-P356 HydrophobicContact CE1-CB 3.83Å; F249-P356 HydrophobicContact CZ-CB 3.46Å; F249-P356 VanDerWaalsContact CZ-CB 3.46Å; Q354-P356 HydrophobicContact CB-CG 4.03Å; Q354-P356 WeakPolarHBondContact O-CD 3.2Å; Q354-P356 WeakPolarHBondContact O-CG 3.34Å; P356-K358 VanDerWaalsContact C-N 3.25Å; P356-K358 PolarHBondContact O-N 2.91Å; P356-R359 WeakPolarHBondContact O-CB 3.21Å; P356-R359 PolarHBondContact O-N 3.34Å; P356-R359 VanDerWaalsContact O-N 3.15Å
357	S	33.5	Very low	34.2	Very low	40 Å²	40	58.4 Å²	58.4	28%	0.28	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-74.5	-12.2	175	-52.7	0	0	0	0	113.6	Q354 P355 R359	Q354-S357 PolarHBondContact O-N 3.37Å; P355-S357 PolarHBondContact O-N 2.76Å; P355-S357 VanDerWaalsContact O-N 3.16Å; S357-R359 PolarHBondContact O-N 2.85Å
358	K	33.3	Very low	33.2	Very low	70 Å²	70	57 Å²	57	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-31.9	166.8	-70.2	178.4	173.5	175.1	0	110.8	P355 P356 G360 F361 C362 I370 D372	P355-K358 VanDerWaalsContact O-CB 3.26Å; P355-K358 WeakPolarHBondContact O-CB 3.26Å; P355-K358 PolarHBondContact O-N 2.91Å; P356-K358 VanDerWaalsContact C-N 3.25Å; P356-K358 PolarHBondContact O-N 2.91Å; K358-G360 VanDerWaalsContact C-N 3.34Å; K358-G360 PolarHBondContact O-N 2.83Å; K358-F361 PolarHBondContact O-N 2.98Å; K358-C362 PolarHBondContact O-N 3.4Å; K358-C362 VanDerWaalsContact O-N 3.08Å; K358-C362 PolarHBondContact O-SG 3.45Å; K358-I370 WeakPolarHBondContact CE-O 3.31Å; K358-I370 PolarHBondContact NZ-O 3.08Å; K358-D372 WeakPolarHBondContact CE-OD1 2.92Å; K358-D372 IonicContact NZ-OD1 2.78Å; K358-D372 PolarHBondContact NZ-OD1 3.3Å
359	R	32.9	Very low	32.7	Very low	80 Å²	80	57.7 Å²	57.7	30%	0.302	32%	0.323	S	S	.	.	H	α-helix	trans	-68.9	-29.4	-172.2	-53	-167.8	-157.1	-174.7	9.2	113.8	F249 S253 P356 S357	F249-R359 VanDerWaalsContact CD1-CZ 3.41Å; F249-R359 HydrophobicContact CZ-CG 4.35Å; S253-R359 PolarHBondContact OG-NH1 3.34Å; P356-R359 WeakPolarHBondContact O-CB 3.21Å; P356-R359 PolarHBondContact O-N 3.34Å; P356-R359 VanDerWaalsContact O-N 3.15Å; S357-R359 PolarHBondContact O-N 2.85Å
360	G	34.1	Very low	32.3	Very low	13 Å²	13	59.7 Å²	59.7	13%	0.134	33%	0.333	C	S	.	.	H	α-helix	trans	-74.4	-36.1	172.9	0	0	0	0	0	113.7	K358	K358-G360 VanDerWaalsContact C-N 3.34Å; K358-G360 PolarHBondContact O-N 2.83Å
361	F	30.8	Very low	32.3	Very low	36 Å²	36	58.5 Å²	58.5	16%	0.158	33%	0.33	C	S	.	.	H	α-helix	trans	-72	-30.8	176.8	-90	-81.9	0	0	0	112.9	K358 Q363 A364 L401 L404 R405	K358-F361 PolarHBondContact O-N 2.98Å; F361-Q363 VanDerWaalsContact C-N 3.26Å; F361-Q363 PolarHBondContact O-N 3.41Å; F361-A364 PolarHBondContact O-N 3.02Å; F361-L401 HydrophobicContact CE2-CD2 4.34Å; F361-L404 HydrophobicContact CE2-CB 4.16Å; F361-L404 HydrophobicContact CE2-CD1 4.42Å; F361-L404 HydrophobicContact CZ-CB 3.56Å; F361-R405 HydrophobicContact CE1-CB 3.88Å; F361-R405 HydrophobicContact CZ-CB 4.43Å
362	C	32.7	Very low	31.9	Very low	16 Å²	16	61 Å²	61	11%	0.108	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.5	-179.7	-59.2	0	0	0	0	114.7	Q256 K358 P367	Q256-C362 VanDerWaalsContact CD-CB 3.46Å; Q256-C362 HydrophobicContact CG-CB 3.35Å; Q256-C362 PolarHBondContact NE2-SG 3.48Å; K358-C362 PolarHBondContact O-N 3.4Å; K358-C362 VanDerWaalsContact O-N 3.08Å; K358-C362 PolarHBondContact O-SG 3.45Å; C362-P367 HydrophobicContact CB-CB 3.84Å; C362-P367 WeakPolarHBondContact SG-CB 3.42Å
363	Q	35.1	Very low	31.9	Very low	64 Å²	64	57.6 Å²	57.6	30%	0.299	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.6	166.6	-82.7	-172.2	-28.4	0	0	113.1	F361	F361-Q363 VanDerWaalsContact C-N 3.26Å; F361-Q363 PolarHBondContact O-N 3.41Å
364	A	32.3	Very low	31.8	Very low	22 Å²	22	55.5 Å²	55.5	18%	0.182	33%	0.331	C	S	.	.	S	Bend	trans	-111.9	93.5	173.5	0	0	0	0	0	109.1	F361 R405	F361-A364 PolarHBondContact O-N 3.02Å; A364-R405 PolarHBondContact O-NH1 3.34Å
365	D	34.8	Very low	32	Very low	39 Å²	39	51.6 Å²	51.6	21%	0.209	32%	0.316	C	S	.	.	S	Bend	trans	34.3	93.5	165.6	-51.1	-32.6	0	0	0	116.2	L264 S267	L264-D365 HydrophobicContact CB-CB 4.38Å; S267-D365 WeakPolarHBondContact CB-OD2 3.27Å; S267-D365 PolarHBondContact N-OD2 2.97Å; S267-D365 PolarHBondContact OG-OD2 3.45Å
366	G	27.8	Very low	31.9	Very low	26 Å²	26	49.3 Å²	49.3	27%	0.268	30%	0.304	S	S	.	.			trans	115.2	97.4	160.5	0	0	0	0	0	117.1	Y408	G366-Y408 PolarHBondContact O-OH 3.01Å
367	P	31.8	Very low	32.2	Very low	47 Å²	47	50.4 Å²	50.4	31%	0.305	31%	0.307	S	S	.	.			trans	-115.3	96.7	178.7	37.6	-24.4	0	0	0	112.8	C362	C362-P367 HydrophobicContact CB-CB 3.84Å; C362-P367 WeakPolarHBondContact SG-CB 3.42Å
368	A	30.5	Very low	32.5	Very low	97 Å²	97	49.2 Å²	49.2	80%	0.802	30%	0.296	S	S	*	.	S	Bend	trans	-159	-14.1	164.1	0	0	0	0	0	118.1
369	I	31.9	Very low	32.8	Very low	113 Å²	113	46.9 Å²	46.9	58%	0.579	29%	0.287	S	S	*	.			trans	-111.5	1.4	-160.6	-51.4	177.2	0	0	0	114.9	I412	I369-I412 HydrophobicContact CB-CG2 4.1Å; I369-I412 HydrophobicContact CD1-CG2 4.01Å; I369-I412 HydrophobicContact CG2-CD1 4.37Å; I369-I412 HydrophobicContact CG2-CG2 4.1Å
370	I	32.6	Very low	33	Very low	50 Å²	50	44.3 Å²	44.3	26%	0.256	28%	0.28	S	S	.	.			trans	-103.1	107.9	-173.2	-48.7	-179.7	0	0	0	111.8	K358 S374 C375 Y408	K358-I370 WeakPolarHBondContact CE-O 3.31Å; K358-I370 PolarHBondContact NZ-O 3.08Å; I370-S374 WeakPolarHBondContact CG2-OG 3.41Å; I370-C375 VanDerWaalsContact CG2-SG 3.53Å; I370-Y408 HydrophobicContact CD1-CD2 3.53Å; I370-Y408 HydrophobicContact CD1-CE2 3.72Å; I370-Y408 HydrophobicContact CG1-CD2 4.07Å; I370-Y408 HydrophobicContact CG1-CE2 3.96Å
371	T	30.6	Very low	33.1	Very low	75 Å²	75	46.9 Å²	46.9	46%	0.46	29%	0.294	S	S	.	.			trans	-86.1	152.4	169.7	53	0	0	0	0	111.5	G373 S374	T371-G373 PolarHBondContact O-N 3.38Å; T371-G373 VanDerWaalsContact O-N 3.09Å; T371-S374 PolarHBondContact O-N 3Å; T371-S374 PolarHBondContact O-OG 3.43Å
372	D	31.2	Very low	33.7	Very low	97 Å²	97	49.4 Å²	49.4	52%	0.519	31%	0.309	S	S	.	.	H	α-helix	trans	-60	-24.8	-169.5	-67.6	-3.1	0	0	0	114.1	K358 S374	K358-D372 WeakPolarHBondContact CE-OD1 2.92Å; K358-D372 IonicContact NZ-OD1 2.78Å; K358-D372 PolarHBondContact NZ-OD1 3.3Å; D372-S374 VanDerWaalsContact C-N 3.35Å
373	G	29.8	Very low	34	Very low	41 Å²	41	51.7 Å²	51.7	42%	0.423	32%	0.317	S	S	.	.	H	α-helix	trans	-70.2	-26.6	177.4	0	0	0	0	0	114.3	T371	T371-G373 PolarHBondContact O-N 3.38Å; T371-G373 VanDerWaalsContact O-N 3.09Å
374	S	32.6	Very low	34.1	Very low	15 Å²	15	51.6 Å²	51.6	11%	0.105	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-63.7	-178.2	60.4	0	0	0	0	110.3	I370 T371 D372 G376 N377 W378	I370-S374 WeakPolarHBondContact CG2-OG 3.41Å; T371-S374 PolarHBondContact O-N 3Å; T371-S374 PolarHBondContact O-OG 3.43Å; D372-S374 VanDerWaalsContact C-N 3.35Å; S374-G376 VanDerWaalsContact C-N 3.28Å; S374-G376 PolarHBondContact O-N 3.2Å; S374-N377 PolarHBondContact O-N 3.26Å; S374-W378 VanDerWaalsContact C-CD1 3.43Å; S374-W378 VanDerWaalsContact C-NE1 3.32Å; S374-W378 PolarHBondContact O-NE1 3.13Å
375	C	31.6	Very low	34.4	Very low	25 Å²	25	53.4 Å²	53.4	17%	0.169	33%	0.327	C	S	.	.	H	α-helix	trans	-52.1	-32.7	-168.9	-43	0	0	0	0	116.4	I353 I370 N377 W378	I353-C375 HydrophobicContact CB-CB 4.41Å; I353-C375 HydrophobicContact CD1-CB 4.25Å; I353-C375 HydrophobicContact CG2-CB 3.48Å; I353-C375 VanDerWaalsContact CG2-CB 3.48Å; I370-C375 VanDerWaalsContact CG2-SG 3.53Å; C375-N377 PolarHBondContact O-N 2.91Å; C375-W378 PolarHBondContact O-N 3.25Å; C375-W378 VanDerWaalsContact O-N 3.14Å
376	G	30	Very low	34.6	Very low	17 Å²	17	53.2 Å²	53.2	18%	0.175	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.2	-177	0	0	0	0	0	114.6	S374	S374-G376 VanDerWaalsContact C-N 3.28Å; S374-G376 PolarHBondContact O-N 3.2Å
377	N	37	Very low	35.5	Very low	75 Å²	75	52.9 Å²	52.9	40%	0.401	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-1	-179.9	-64.1	-17.4	0	0	0	113.5	S374 C375	S374-N377 PolarHBondContact O-N 3.26Å; C375-N377 PolarHBondContact O-N 2.91Å
378	W	39	Very low	36.2	Very low	15 Å²	15	51.8 Å²	51.8	6%	0.057	31%	0.311	C	S	.	.			trans	-106.9	3.3	-164.6	-55.9	61.1	0	0	0	112.6	S374 C375 L404 R407 E411 W459 Y460	S374-W378 VanDerWaalsContact C-CD1 3.43Å; S374-W378 VanDerWaalsContact C-NE1 3.32Å; S374-W378 PolarHBondContact O-NE1 3.13Å; C375-W378 PolarHBondContact O-N 3.25Å; C375-W378 VanDerWaalsContact O-N 3.14Å; W378-L404 HydrophobicContact CB-CD2 3.43Å; W378-L404 VanDerWaalsContact CB-CD2 3.43Å; W378-L404 HydrophobicContact CG-CD2 4.41Å; W378-R407 HydrophobicContact CE3-CB 3.33Å; W378-R407 HydrophobicContact CE3-CG 3.7Å; W378-R407 HydrophobicContact CZ3-CB 3.34Å; W378-R407 HydrophobicContact CZ3-CG 3.75Å; W378-R407 PolarHBondContact O-NH1 3.08Å; W378-E411 HydrophobicContact CH2-CB 4.39Å; W378-E411 WeakPolarHBondContact CH2-OE2 3.44Å; W378-E411 WeakPolarHBondContact CZ2-OE2 3.5Å; W378-W459 HydrophobicContact CE3-CZ3 4.48Å; W378-W459 HydrophobicContact CH2-CD2 4.44Å; W378-W459 AromaticContact CH2-CE3 3.24Å; W378-W459 HydrophobicContact CH2-CE3 3.24Å; W378-W459 AromaticContact CH2-CZ3 3.44Å; W378-W459 HydrophobicContact CH2-CZ3 3.44Å; W378-W459 VanDerWaalsContact CH2-CZ3 3.44Å; W378-W459 HydrophobicContact CZ2-CE3 4.23Å; W378-W459 AromaticContact CZ3-CE3 3.51Å; W378-W459 HydrophobicContact CZ3-CE3 3.51Å; W378-W459 HydrophobicContact CZ3-CH2 4.34Å; W378-W459 AromaticContact CZ3-CZ3 3.32Å; W378-W459 HydrophobicContact CZ3-CZ3 3.32Å; W378-Y460 HydrophobicContact CZ2-CE1 4.2Å; W378-Y460 HydrophobicContact CZ2-CE2 4.41Å; W378-Y460 AromaticContact CZ2-CZ 3.79Å; W378-Y460 WeakPolarHBondContact CZ2-OH 3.27Å
379	L	39.4	Very low	37	Very low	21 Å²	21	53.3 Å²	53.3	11%	0.11	31%	0.305	C	S	.	.	S	Bend	trans	-65.2	134.5	166.9	-90.2	124.6	0	0	0	109.6	A317 I353 T381	A317-L379 WeakPolarHBondContact O-CD2 3.48Å; I353-L379 HydrophobicContact CD1-CD1 4.43Å; L379-T381 VanDerWaalsContact C-N 3.35Å; L379-T381 PolarHBondContact O-N 3.29Å
380	P	37.6	Very low	38	Very low	26 Å²	26	50.9 Å²	50.9	17%	0.169	29%	0.293	C	S	.	.			trans	-66.9	92.9	179.6	25.4	-31.9	0	0	0	110.1	N382 F383 V400	P380-N382 PolarHBondContact O-N 3.14Å; P380-F383 HydrophobicContact CB-CD2 4.36Å; P380-F383 HydrophobicContact CB-CE2 3.89Å; P380-F383 HydrophobicContact CG-CD2 4.48Å; P380-F383 HydrophobicContact CG-CE2 3.77Å; P380-F383 WeakPolarHBondContact O-CD2 3.17Å; P380-V400 HydrophobicContact CG-CG2 4.38Å
381	T	36.7	Very low	38.9	Very low	67 Å²	67	48.7 Å²	48.7	41%	0.411	28%	0.282	S	S	.	.			trans	-73.9	-6.5	164.4	50.7	0	0	0	0	112.1	A317 L379 F383	A317-T381 HydrophobicContact CB-CG2 3.65Å; L379-T381 VanDerWaalsContact C-N 3.35Å; L379-T381 PolarHBondContact O-N 3.29Å; T381-F383 PolarHBondContact O-N 3.28Å; T381-F383 VanDerWaalsContact O-N 3.14Å
382	N	42.6	Very low	40.1	Very low	89 Å²	89	50.4 Å²	50.4	48%	0.476	28%	0.281	S	S	.	.			trans	-82.1	25.1	-177.2	-73.6	-41	0	0	0	114	P380 D384	P380-N382 PolarHBondContact O-N 3.14Å; N382-D384 PolarHBondContact O-N 3.06Å; N382-D384 VanDerWaalsContact O-N 3.11Å
383	F	38.6	Very low	41.7	Very low	65 Å²	65	53.4 Å²	53.4	29%	0.285	29%	0.285	S	S	.	.			trans	-78.3	94.8	167.2	-78.7	-62.4	0	0	0	109	P380 T381 V385 C394 L395	P380-F383 HydrophobicContact CB-CD2 4.36Å; P380-F383 HydrophobicContact CB-CE2 3.89Å; P380-F383 HydrophobicContact CG-CD2 4.48Å; P380-F383 HydrophobicContact CG-CE2 3.77Å; P380-F383 WeakPolarHBondContact O-CD2 3.17Å; T381-F383 PolarHBondContact O-N 3.28Å; T381-F383 VanDerWaalsContact O-N 3.14Å; F383-V385 PolarHBondContact O-N 3.14Å; F383-C394 HydrophobicContact CD1-CB 4.18Å; F383-C394 HydrophobicContact CE1-CB 3.05Å; F383-C394 HydrophobicContact CZ-CB 3.37Å; F383-C394 WeakPolarHBondContact CZ-O 3.47Å; F383-L395 HydrophobicContact CD2-CD1 4.3Å; F383-L395 HydrophobicContact CE2-CB 4.08Å; F383-L395 HydrophobicContact CE2-CD1 3.75Å; F383-L395 HydrophobicContact CE2-CG 4.48Å; F383-L395 HydrophobicContact CZ-CB 4.35Å
384	D	38.6	Very low	43.5	Very low	62 Å²	62	53 Å²	53	33%	0.332	28%	0.275	S	S	.	.			trans	-65.2	96.7	156.7	-153.4	-19.8	0	0	0	104.6	R292 N382 N386 A387	R292-D384 IonicContact CZ-OD2 3.74Å; R292-D384 IonicContact NH2-OD2 3.73Å; R292-D384 PolarHBondContact NH2-OD2 3.49Å; N382-D384 PolarHBondContact O-N 3.06Å; N382-D384 VanDerWaalsContact O-N 3.11Å; D384-N386 PolarHBondContact O-N 3.18Å; D384-N386 PolarHBondContact OD1-ND2 3.07Å; D384-A387 WeakPolarHBondContact O-CB 3.27Å; D384-A387 PolarHBondContact O-N 3.28Å
385	V	38.9	Very low	45.6	Very low	59 Å²	59	53.3 Å²	53.3	36%	0.358	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-19.1	-179.8	-108	0	0	0	0	111.3	F383 A387 Y388	F383-V385 PolarHBondContact O-N 3.14Å; V385-A387 PolarHBondContact O-N 3.01Å; V385-A387 VanDerWaalsContact O-N 3.08Å; V385-Y388 WeakPolarHBondContact O-CD1 3.34Å; V385-Y388 WeakPolarHBondContact O-CE1 3.28Å
386	N	38.3	Very low	47.9	Very low	36 Å²	36	54.5 Å²	54.5	19%	0.193	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-0.8	173.7	-55	-41.4	0	0	0	115.1	D384 Y388	D384-N386 PolarHBondContact O-N 3.18Å; D384-N386 PolarHBondContact OD1-ND2 3.07Å; N386-Y388 VanDerWaalsContact C-N 3.34Å; N386-Y388 VanDerWaalsContact CA-CZ 3.43Å; N386-Y388 HydrophobicContact CB-CE2 4.39Å; N386-Y388 WeakPolarHBondContact O-CD2 3.19Å; N386-Y388 PolarHBondContact O-N 3.28Å; N386-Y388 PolarHBondContact OD1-OH 3.25Å
387	A	46.2	Very low	50.3	Low	18 Å²	18	54.1 Å²	54.1	15%	0.149	28%	0.276	C	S	.	.			trans	-93.8	49.9	177.2	0	0	0	0	0	113.2	F287 D384 V385 D389 L390 V391	F287-A387 HydrophobicContact CE1-CB 3.67Å; F287-A387 HydrophobicContact CE2-CB 4.23Å; F287-A387 HydrophobicContact CZ-CB 3.27Å; D384-A387 WeakPolarHBondContact O-CB 3.27Å; D384-A387 PolarHBondContact O-N 3.28Å; V385-A387 PolarHBondContact O-N 3.01Å; V385-A387 VanDerWaalsContact O-N 3.08Å; A387-D389 PolarHBondContact O-N 3.23Å; A387-L390 WeakPolarHBondContact O-CA 3.4Å; A387-L390 WeakPolarHBondContact O-CB 3.37Å; A387-L390 PolarHBondContact O-N 3.36Å; A387-V391 WeakPolarHBondContact O-CG2 3.47Å; A387-V391 PolarHBondContact O-N 3.39Å
388	Y	46.7	Very low	52.6	Low	25 Å²	25	53.9 Å²	53.9	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-38.8	-158	-48.8	-67.5	0	0	0	115.5	S293 L295 L300 L303 V385 N386 L390 V391	S293-Y388 PolarHBondContact O-OH 3.02Å; S293-Y388 VanDerWaalsContact O-OH 3.05Å; L295-Y388 HydrophobicContact CB-CD1 4.46Å; L295-Y388 HydrophobicContact CB-CE1 3.91Å; L295-Y388 HydrophobicContact CB-CE2 4.24Å; L295-Y388 HydrophobicContact CD1-CD1 3.57Å; L295-Y388 HydrophobicContact CD1-CD2 3.26Å; L295-Y388 HydrophobicContact CD1-CE1 3.78Å; L295-Y388 HydrophobicContact CD1-CE2 3.47Å; L295-Y388 VanDerWaalsContact CD1-CE2 3.47Å; L295-Y388 HydrophobicContact CD1-CG 3.27Å; L295-Y388 HydrophobicContact CG-CD1 4.29Å; L295-Y388 HydrophobicContact CG-CD2 3.84Å; L295-Y388 HydrophobicContact CG-CE1 3.98Å; L295-Y388 HydrophobicContact CG-CE2 3.48Å; L295-Y388 VanDerWaalsContact CG-CE2 3.48Å; L295-Y388 HydrophobicContact CG-CG 4.2Å; L295-Y388 PolarHBondContact N-OH 2.9Å; L300-Y388 HydrophobicContact CD2-CD1 3.15Å; L300-Y388 HydrophobicContact CD2-CE1 3.38Å; L300-Y388 HydrophobicContact CD2-CG 4.24Å; L303-Y388 HydrophobicContact CD1-CG 4.45Å; V385-Y388 WeakPolarHBondContact O-CD1 3.34Å; V385-Y388 WeakPolarHBondContact O-CE1 3.28Å; N386-Y388 VanDerWaalsContact C-N 3.34Å; N386-Y388 VanDerWaalsContact CA-CZ 3.43Å; N386-Y388 HydrophobicContact CB-CE2 4.39Å; N386-Y388 WeakPolarHBondContact O-CD2 3.19Å; N386-Y388 PolarHBondContact O-N 3.28Å; N386-Y388 PolarHBondContact OD1-OH 3.25Å; Y388-L390 PolarHBondContact O-N 3.3Å; Y388-L390 VanDerWaalsContact O-N 3.13Å; Y388-V391 PolarHBondContact O-N 2.91Å
389	D	46.7	Very low	54.8	Low	128 Å²	128	57.3 Å²	57.3	68%	0.684	29%	0.288	S	S	*	.	H	α-helix	trans	-63.5	-18.1	175.4	-94.4	-0.9	0	0	0	114.1	A387 Y392	A387-D389 PolarHBondContact O-N 3.23Å; D389-Y392 WeakPolarHBondContact O-CE1 3.34Å
390	L	53.2	Low	56.8	Low	62 Å²	62	56.8 Å²	56.8	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-107.3	-19.5	-177.4	-80.6	146.2	0	0	0	112.5	F287 A387 Y388 Y392 R393 C394	F287-L390 HydrophobicContact CZ-CD1 4.11Å; A387-L390 WeakPolarHBondContact O-CA 3.4Å; A387-L390 WeakPolarHBondContact O-CB 3.37Å; A387-L390 PolarHBondContact O-N 3.36Å; Y388-L390 PolarHBondContact O-N 3.3Å; Y388-L390 VanDerWaalsContact O-N 3.13Å; L390-Y392 VanDerWaalsContact C-N 3.34Å; L390-Y392 PolarHBondContact O-N 3.03Å; L390-R393 CarbonylContact O-C 3.53Å; L390-R393 WeakPolarHBondContact O-CA 3.47Å; L390-R393 WeakPolarHBondContact O-CB 3.5Å; L390-R393 PolarHBondContact O-N 2.82Å; L390-C394 PolarHBondContact O-N 3.27Å; L390-C394 PolarHBondContact O-SG 3.21Å
391	V	51.2	Low	59.1	Low	4 Å²	4	56.7 Å²	56.7	2%	0.024	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-43.9	-168.6	177.1	0	0	0	0	111.7	V305 V309 A387 Y388 R393 C394 L395	V305-V391 HydrophobicContact CB-CG1 4.34Å; V305-V391 HydrophobicContact CG1-CG1 3.71Å; V305-V391 HydrophobicContact CG2-CB 3.76Å; V305-V391 HydrophobicContact CG2-CG1 3.67Å; V309-V391 HydrophobicContact CG1-CG1 4.31Å; A387-V391 WeakPolarHBondContact O-CG2 3.47Å; A387-V391 PolarHBondContact O-N 3.39Å; Y388-V391 PolarHBondContact O-N 2.91Å; V391-R393 VanDerWaalsContact C-N 3.25Å; V391-R393 PolarHBondContact O-N 3.43Å; V391-C394 PolarHBondContact O-N 2.97Å; V391-L395 PolarHBondContact O-N 3.49Å
392	Y	55.7	Low	61.5	Low	112 Å²	112	54.3 Å²	54.3	44%	0.439	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-24.8	177	80.4	-89.6	0	0	0	113.4	G304 D389 L390	G304-Y392 WeakPolarHBondContact O-CB 3.47Å; D389-Y392 WeakPolarHBondContact O-CE1 3.34Å; L390-Y392 VanDerWaalsContact C-N 3.34Å; L390-Y392 PolarHBondContact O-N 3.03Å
393	R	65.7	Low	63.6	Low	160 Å²	160	51.6 Å²	51.6	60%	0.604	25%	0.253	S	S	*	.	H	α-helix	trans	-86.2	-17.9	178.5	-63.5	-171.5	-178.2	-168.8	1.3	113.5	L390 V391	L390-R393 CarbonylContact O-C 3.53Å; L390-R393 WeakPolarHBondContact O-CA 3.47Å; L390-R393 WeakPolarHBondContact O-CB 3.5Å; L390-R393 PolarHBondContact O-N 2.82Å; V391-R393 VanDerWaalsContact C-N 3.25Å; V391-R393 PolarHBondContact O-N 3.43Å
394	C	67.2	Low	65.9	Low	31 Å²	31	49.7 Å²	49.7	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-102.4	-34.3	-168.2	-62	0	0	0	0	114.5	F383 L390 V391 T396 R399	F383-C394 HydrophobicContact CD1-CB 4.18Å; F383-C394 HydrophobicContact CE1-CB 3.05Å; F383-C394 HydrophobicContact CZ-CB 3.37Å; F383-C394 WeakPolarHBondContact CZ-O 3.47Å; L390-C394 PolarHBondContact O-N 3.27Å; L390-C394 PolarHBondContact O-SG 3.21Å; V391-C394 PolarHBondContact O-N 2.97Å; C394-T396 PolarHBondContact O-N 3.02Å; C394-R399 WeakPolarHBondContact O-CB 3.48Å; C394-R399 WeakPolarHBondContact O-CG 3.35Å
395	L	76.5	Confident	68.2	Low	22 Å²	22	47.1 Å²	47.1	12%	0.115	23%	0.231	C	C	.	.	S	Bend	trans	-93.6	73.6	175.9	-167.5	68.8	0	0	0	110.6	V309 F320 F322 F383 V391 V400	V309-L395 HydrophobicContact CB-CD2 4.17Å; V309-L395 HydrophobicContact CG1-CB 4.49Å; V309-L395 HydrophobicContact CG1-CD2 3.55Å; V309-L395 HydrophobicContact CG2-CD2 3.75Å; F320-L395 HydrophobicContact CE1-CD2 3.91Å; F320-L395 HydrophobicContact CE1-CG 4.32Å; F320-L395 HydrophobicContact CE2-CD2 4.33Å; F320-L395 HydrophobicContact CZ-CD2 3.8Å; F322-L395 HydrophobicContact CE1-CG 4.27Å; F322-L395 WeakPolarHBondContact CE1-O 3.5Å; F322-L395 HydrophobicContact CZ-CD1 4.25Å; F322-L395 HydrophobicContact CZ-CG 4.18Å; F383-L395 HydrophobicContact CD2-CD1 4.3Å; F383-L395 HydrophobicContact CE2-CB 4.08Å; F383-L395 HydrophobicContact CE2-CD1 3.75Å; F383-L395 HydrophobicContact CE2-CG 4.48Å; F383-L395 HydrophobicContact CZ-CB 4.35Å; V391-L395 PolarHBondContact O-N 3.49Å; L395-V400 HydrophobicContact CD1-CG2 4.26Å
396	T	79.5	Confident	70.6	Confident	51 Å²	51	45.4 Å²	45.4	31%	0.313	22%	0.218	S	C	.	.	S	Bend	trans	-121.5	153.9	173.3	64.1	0	0	0	0	109.9	C394 D398 R399 V400	C394-T396 PolarHBondContact O-N 3.02Å; T396-D398 VanDerWaalsContact C-N 3.26Å; T396-D398 PolarHBondContact O-N 3.33Å; T396-R399 PolarHBondContact O-N 2.78Å; T396-R399 VanDerWaalsContact O-N 3.13Å; T396-R399 WeakPolarHBondContact OG1-CB 3.36Å; T396-R399 PolarHBondContact OG1-N 2.82Å; T396-V400 WeakPolarHBondContact O-CG2 3.5Å; T396-V400 PolarHBondContact O-N 2.87Å
397	V	81.9	Confident	73	Confident	9 Å²	9	44.6 Å²	44.6	6%	0.055	21%	0.212	C	C	.	.	H	α-helix	trans	-56.9	-42.6	177.2	168.7	0	0	0	0	111.5	F322 L327 L335 A337 V343 L351 R399 V400 L401	F322-V397 HydrophobicContact CB-CG2 3.95Å; F322-V397 HydrophobicContact CD1-CG2 3.76Å; F322-V397 HydrophobicContact CD2-CG2 3.51Å; F322-V397 HydrophobicContact CE1-CG2 4.06Å; F322-V397 HydrophobicContact CE2-CG2 3.81Å; F322-V397 HydrophobicContact CG-CG2 3.46Å; F322-V397 VanDerWaalsContact CG-CG2 3.46Å; F322-V397 HydrophobicContact CZ-CG2 4.07Å; L327-V397 HydrophobicContact CD2-CB 4.12Å; L327-V397 HydrophobicContact CD2-CG2 3.39Å; L335-V397 HydrophobicContact CD1-CG1 4.46Å; A337-V397 HydrophobicContact CB-CG1 3.98Å; V343-V397 HydrophobicContact CG1-CG1 4.32Å; V343-V397 HydrophobicContact CG2-CG1 4Å; L351-V397 HydrophobicContact CD1-CG2 4.46Å; V397-R399 VanDerWaalsContact C-N 3.35Å; V397-R399 PolarHBondContact O-N 2.76Å; V397-V400 PolarHBondContact O-N 2.83Å; V397-L401 HydrophobicContact CG1-CD1 3.78Å; V397-L401 HydrophobicContact CG1-CG 4.34Å; V397-L401 WeakPolarHBondContact O-CB 3.4Å; V397-L401 WeakPolarHBondContact O-CG 3.45Å; V397-L401 PolarHBondContact O-N 3.32Å
398	D	84.4	Confident	75	Confident	69 Å²	69	44.6 Å²	44.6	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-55.3	-49.9	175.5	-172	83.6	0	0	0	111.4	A337 G338 T396 V400 L401 L402	A337-D398 HydrophobicContact CB-CB 4.47Å; G338-D398 WeakPolarHBondContact CA-OD1 3.28Å; G338-D398 PolarHBondContact N-OD1 2.82Å; T396-D398 VanDerWaalsContact C-N 3.26Å; T396-D398 PolarHBondContact O-N 3.33Å; D398-V400 PolarHBondContact O-N 2.86Å; D398-L401 PolarHBondContact O-N 2.82Å; D398-L402 WeakPolarHBondContact O-CB 2.88Å; D398-L402 VanDerWaalsContact O-CG 3.3Å; D398-L402 WeakPolarHBondContact O-CG 2.87Å; D398-L402 PolarHBondContact O-N 2.79Å; D398-L402 VanDerWaalsContact OD2-CD1 3.32Å; D398-L402 WeakPolarHBondContact OD2-CD1 3.47Å
399	R	84.6	Confident	77.1	Confident	88 Å²	88	43.5 Å²	43.5	33%	0.332	21%	0.205	S	C	.	.	H	α-helix	trans	-67.4	-39	-178.8	-172.6	58.7	-177.1	-152.5	4.1	112.8	C394 T396 V397 L402 E403	C394-R399 WeakPolarHBondContact O-CB 3.48Å; C394-R399 WeakPolarHBondContact O-CG 3.35Å; T396-R399 PolarHBondContact O-N 2.78Å; T396-R399 VanDerWaalsContact O-N 3.13Å; T396-R399 WeakPolarHBondContact OG1-CB 3.36Å; T396-R399 PolarHBondContact OG1-N 2.82Å; V397-R399 VanDerWaalsContact C-N 3.35Å; V397-R399 PolarHBondContact O-N 2.76Å; R399-L402 PolarHBondContact O-N 2.84Å; R399-E403 HydrophobicContact CG-CG 4.49Å; R399-E403 IonicContact CZ-OE1 2.63Å; R399-E403 VanDerWaalsContact CZ-OE1 3.29Å; R399-E403 IonicContact NE-OE1 3.57Å; R399-E403 PolarHBondContact NE-OE1 2.75Å; R399-E403 VanDerWaalsContact NE-OE1 3.16Å; R399-E403 IonicContact NH2-OE1 2.7Å; R399-E403 PolarHBondContact NH2-OE1 2.93Å; R399-E403 WeakPolarHBondContact O-CG 3.36Å; R399-E403 PolarHBondContact O-N 2.77Å
400	V	83	Confident	79.2	Confident	10 Å²	10	40 Å²	40	6%	0.061	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-48.4	175.7	171.4	0	0	0	0	110	F322 P380 L395 T396 V397 D398 E403 L404	F322-V400 HydrophobicContact CE2-CG2 4.24Å; F322-V400 HydrophobicContact CZ-CG2 3.92Å; P380-V400 HydrophobicContact CG-CG2 4.38Å; L395-V400 HydrophobicContact CD1-CG2 4.26Å; T396-V400 WeakPolarHBondContact O-CG2 3.5Å; T396-V400 PolarHBondContact O-N 2.87Å; V397-V400 PolarHBondContact O-N 2.83Å; D398-V400 PolarHBondContact O-N 2.86Å; V400-E403 PolarHBondContact O-N 2.82Å; V400-L404 HydrophobicContact CG1-CD1 4.02Å; V400-L404 HydrophobicContact CG1-CG 4.42Å; V400-L404 WeakPolarHBondContact O-CB 3.48Å; V400-L404 VanDerWaalsContact O-CG 3.28Å; V400-L404 WeakPolarHBondContact O-CG 3.49Å; V400-L404 PolarHBondContact O-N 2.68Å
401	L	85.6	Confident	81	Confident	24 Å²	24	37.6 Å²	37.6	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-40.5	178.9	-71.4	171.9	0	0	0	112.6	A337 V341 V343 F361 V397 D398 L404 R405	A337-L401 HydrophobicContact CB-CD1 3.64Å; V341-L401 HydrophobicContact CB-CD1 4.16Å; V341-L401 HydrophobicContact CG1-CD1 4.26Å; V343-L401 HydrophobicContact CG2-CD1 3.59Å; F361-L401 HydrophobicContact CE2-CD2 4.34Å; V397-L401 HydrophobicContact CG1-CD1 3.78Å; V397-L401 HydrophobicContact CG1-CG 4.34Å; V397-L401 WeakPolarHBondContact O-CB 3.4Å; V397-L401 WeakPolarHBondContact O-CG 3.45Å; V397-L401 PolarHBondContact O-N 3.32Å; D398-L401 PolarHBondContact O-N 2.82Å; L401-L404 HydrophobicContact CD2-CD1 4.43Å; L401-L404 PolarHBondContact O-N 2.85Å; L401-R405 PolarHBondContact O-N 3.16Å
402	L	87.3	Confident	82.7	Confident	17 Å²	17	39.4 Å²	39.4	9%	0.089	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-45.4	174	-72.1	174.2	0	0	0	111.8	R270 L271 D339 D398 R399 L404 R405 Y406	R270-L402 HydrophobicContact CB-CD2 4.3Å; L271-L402 HydrophobicContact CD1-CB 3.5Å; L271-L402 VanDerWaalsContact CD1-CB 3.5Å; L271-L402 HydrophobicContact CG-CB 3.97Å; D339-L402 VanDerWaalsContact OD1-CD2 3.26Å; D339-L402 WeakPolarHBondContact OD1-CD2 3.37Å; D398-L402 WeakPolarHBondContact O-CB 2.88Å; D398-L402 VanDerWaalsContact O-CG 3.3Å; D398-L402 WeakPolarHBondContact O-CG 2.87Å; D398-L402 PolarHBondContact O-N 2.79Å; D398-L402 VanDerWaalsContact OD2-CD1 3.32Å; D398-L402 WeakPolarHBondContact OD2-CD1 3.47Å; R399-L402 PolarHBondContact O-N 2.84Å; L402-L404 VanDerWaalsContact C-N 3.34Å; L402-R405 PolarHBondContact O-N 2.85Å; L402-Y406 WeakPolarHBondContact O-CB 3.44Å; L402-Y406 PolarHBondContact O-N 3.38Å
403	E	86.4	Confident	84.2	Confident	32 Å²	32	37.2 Å²	37.2	15%	0.15	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-37.1	178.5	-71.1	-71.2	163	0	0	111	L271 R275 R399 V400 Y406 R407	L271-E403 HydrophobicContact CD1-CG 4.01Å; R275-E403 IonicContact CZ-OE1 2.76Å; R275-E403 IonicContact CZ-OE2 3.64Å; R275-E403 IonicContact NH1-OE2 2.91Å; R275-E403 VanDerWaalsContact NH2-CD 3.27Å; R275-E403 IonicContact NH2-OE1 3.38Å; R275-E403 PolarHBondContact NH2-OE1 3.28Å; R275-E403 IonicContact NH2-OE2 3.76Å; R275-E403 PolarHBondContact NH2-OE2 3.23Å; R399-E403 HydrophobicContact CG-CG 4.49Å; R399-E403 IonicContact CZ-OE1 2.63Å; R399-E403 VanDerWaalsContact CZ-OE1 3.29Å; R399-E403 IonicContact NE-OE1 3.57Å; R399-E403 PolarHBondContact NE-OE1 2.75Å; R399-E403 VanDerWaalsContact NE-OE1 3.16Å; R399-E403 IonicContact NH2-OE1 2.7Å; R399-E403 PolarHBondContact NH2-OE1 2.93Å; R399-E403 WeakPolarHBondContact O-CG 3.36Å; R399-E403 PolarHBondContact O-N 2.77Å; V400-E403 PolarHBondContact O-N 2.82Å; E403-Y406 PolarHBondContact O-N 2.97Å; E403-R407 WeakPolarHBondContact O-CB 3.28Å; E403-R407 VanDerWaalsContact O-CG 3.31Å; E403-R407 WeakPolarHBondContact O-CG 3.36Å; E403-R407 PolarHBondContact O-N 3.4Å
404	L	86.2	Confident	85.3	Confident	24 Å²	24	35.5 Å²	35.5	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-44.6	173.1	-73.4	173.8	0	0	0	111.6	F361 W378 V400 L401 L402 R407 Y408	F361-L404 HydrophobicContact CE2-CB 4.16Å; F361-L404 HydrophobicContact CE2-CD1 4.42Å; F361-L404 HydrophobicContact CZ-CB 3.56Å; W378-L404 HydrophobicContact CB-CD2 3.43Å; W378-L404 VanDerWaalsContact CB-CD2 3.43Å; W378-L404 HydrophobicContact CG-CD2 4.41Å; V400-L404 HydrophobicContact CG1-CD1 4.02Å; V400-L404 HydrophobicContact CG1-CG 4.42Å; V400-L404 WeakPolarHBondContact O-CB 3.48Å; V400-L404 VanDerWaalsContact O-CG 3.28Å; V400-L404 WeakPolarHBondContact O-CG 3.49Å; V400-L404 PolarHBondContact O-N 2.68Å; L401-L404 HydrophobicContact CD2-CD1 4.43Å; L401-L404 PolarHBondContact O-N 2.85Å; L402-L404 VanDerWaalsContact C-N 3.34Å; L404-R407 WeakPolarHBondContact O-CB 3.16Å; L404-R407 PolarHBondContact O-N 2.84Å; L404-Y408 PolarHBondContact O-N 2.86Å
405	R	87.5	Confident	86.5	Confident	8 Å²	8	37.3 Å²	37.3	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-46.8	174.4	-179.9	58.6	-176.8	-146.6	-2	112.4	S267 D339 F361 A364 L401 L402 R407 Y408 D409	S267-R405 PolarHBondContact O-NH2 3.34Å; D339-R405 WeakPolarHBondContact OD2-CG 3.42Å; F361-R405 HydrophobicContact CE1-CB 3.88Å; F361-R405 HydrophobicContact CZ-CB 4.43Å; A364-R405 PolarHBondContact O-NH1 3.34Å; L401-R405 PolarHBondContact O-N 3.16Å; L402-R405 PolarHBondContact O-N 2.85Å; R405-R407 PolarHBondContact O-N 2.82Å; R405-Y408 WeakPolarHBondContact O-CB 3.48Å; R405-Y408 PolarHBondContact O-N 3.5Å; R405-Y408 VanDerWaalsContact O-N 3.14Å; R405-D409 IonicContact CZ-OD1 2.81Å; R405-D409 IonicContact NE-OD1 2.85Å; R405-D409 PolarHBondContact NE-OD1 2.93Å; R405-D409 IonicContact NE-OD2 3.58Å; R405-D409 IonicContact NH2-OD1 3.75Å; R405-D409 VanDerWaalsContact O-CG 3.26Å; R405-D409 PolarHBondContact O-N 2.9Å
406	Y	89.6	Confident	87.2	Confident	24 Å²	24	41.5 Å²	41.5	9%	0.094	20%	0.201	C	C	.	.	H	α-helix	trans	-52.9	-42.1	175	165.3	-106.4	0	0	0	111.9	L271 F272 R275 L402 E403 R410 W459	L271-Y406 HydrophobicContact CB-CD2 4.49Å; L271-Y406 HydrophobicContact CB-CG 4.41Å; F272-Y406 HydrophobicContact CB-CD2 4.01Å; F272-Y406 HydrophobicContact CD2-CD2 4.08Å; F272-Y406 HydrophobicContact CD2-CE2 4.03Å; R275-Y406 HydrophobicContact CB-CE2 4.4Å; L402-Y406 WeakPolarHBondContact O-CB 3.44Å; L402-Y406 PolarHBondContact O-N 3.38Å; E403-Y406 PolarHBondContact O-N 2.97Å; Y406-R410 HydrophobicContact CE2-CB 4.47Å; Y406-R410 WeakPolarHBondContact O-CB 3.17Å; Y406-R410 PolarHBondContact O-N 3.46Å; Y406-R410 VanDerWaalsContact OH-CD 3.27Å; Y406-R410 WeakPolarHBondContact OH-CD 3.47Å; Y406-R410 PolarHBondContact OH-NH1 2.92Å; Y406-W459 HydrophobicContact CE1-CZ2 4.32Å
407	R	88.8	Confident	87.8	Confident	18 Å²	18	43 Å²	43	7%	0.068	20%	0.201	C	C	.	.	H	α-helix	trans	-70	-41.3	-177.5	-95.4	-140.6	-171.2	114.6	-25.8	111.7	W378 E403 L404 R405 R410 E411 G458 W459	W378-R407 HydrophobicContact CE3-CB 3.33Å; W378-R407 HydrophobicContact CE3-CG 3.7Å; W378-R407 HydrophobicContact CZ3-CB 3.34Å; W378-R407 HydrophobicContact CZ3-CG 3.75Å; W378-R407 PolarHBondContact O-NH1 3.08Å; E403-R407 WeakPolarHBondContact O-CB 3.28Å; E403-R407 VanDerWaalsContact O-CG 3.31Å; E403-R407 WeakPolarHBondContact O-CG 3.36Å; E403-R407 PolarHBondContact O-N 3.4Å; L404-R407 WeakPolarHBondContact O-CB 3.16Å; L404-R407 PolarHBondContact O-N 2.84Å; R405-R407 PolarHBondContact O-N 2.82Å; R407-R410 PolarHBondContact O-N 3.41Å; R407-E411 WeakPolarHBondContact O-CB 3.44Å; R407-E411 PolarHBondContact O-N 3.29Å; R407-G458 PolarHBondContact NH2-O 3.11Å; R407-W459 HydrophobicContact CB-CH2 4.05Å; R407-W459 HydrophobicContact CB-CZ3 4.12Å; R407-W459 HydrophobicContact CG-CE3 4.5Å; R407-W459 HydrophobicContact CG-CH2 3.58Å; R407-W459 HydrophobicContact CG-CZ2 3.98Å; R407-W459 HydrophobicContact CG-CZ3 3.87Å
408	Y	87.7	Confident	88.4	Confident	19 Å²	19	42.9 Å²	42.9	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-52.7	168.6	174.4	-97.2	0	0	0	111.9	G366 I370 L404 R405 R410 E411 I412 E413	G366-Y408 PolarHBondContact O-OH 3.01Å; I370-Y408 HydrophobicContact CD1-CD2 3.53Å; I370-Y408 HydrophobicContact CD1-CE2 3.72Å; I370-Y408 HydrophobicContact CG1-CD2 4.07Å; I370-Y408 HydrophobicContact CG1-CE2 3.96Å; L404-Y408 PolarHBondContact O-N 2.86Å; R405-Y408 WeakPolarHBondContact O-CB 3.48Å; R405-Y408 PolarHBondContact O-N 3.5Å; R405-Y408 VanDerWaalsContact O-N 3.14Å; Y408-R410 PolarHBondContact O-N 3.28Å; Y408-E411 PolarHBondContact O-N 2.78Å; Y408-I412 HydrophobicContact CD2-CB 3.93Å; Y408-I412 HydrophobicContact CD2-CG1 3.74Å; Y408-I412 HydrophobicContact CD2-CG2 4.39Å; Y408-I412 HydrophobicContact CE2-CB 3.86Å; Y408-I412 HydrophobicContact CE2-CG1 3.98Å; Y408-I412 HydrophobicContact CE2-CG2 3.81Å; Y408-I412 WeakPolarHBondContact O-CA 3.47Å; Y408-I412 WeakPolarHBondContact O-CB 3.45Å; Y408-I412 PolarHBondContact O-N 3.34Å; Y408-E413 HydrophobicContact CD1-CG 4.18Å; Y408-E413 HydrophobicContact CE1-CG 3.68Å; Y408-E413 PolarHBondContact O-N 3.35Å; Y408-E413 PolarHBondContact OH-OE1 3.47Å
409	D	90.2	Very high	89	Confident	2 Å²	2	40 Å²	40	1%	0.011	19%	0.186	C	C	.	.	I	π-helix	trans	-56.8	-43.1	179.9	-64.5	-30.8	0	0	0	110.8	G269 F272 R405 E413 R414	G269-D409 WeakPolarHBondContact CA-OD2 3.45Å; G269-D409 PolarHBondContact N-OD2 3.13Å; F272-D409 HydrophobicContact CB-CB 3.96Å; F272-D409 WeakPolarHBondContact CB-OD2 3.48Å; F272-D409 HydrophobicContact CD2-CB 3.73Å; F272-D409 HydrophobicContact CE2-CB 4.49Å; F272-D409 HydrophobicContact CG-CB 3.88Å; R405-D409 IonicContact CZ-OD1 2.81Å; R405-D409 IonicContact NE-OD1 2.85Å; R405-D409 PolarHBondContact NE-OD1 2.93Å; R405-D409 IonicContact NE-OD2 3.58Å; R405-D409 IonicContact NH2-OD1 3.75Å; R405-D409 VanDerWaalsContact O-CG 3.26Å; R405-D409 PolarHBondContact O-N 2.9Å; D409-E413 WeakPolarHBondContact O-CB 3.34Å; D409-R414 WeakPolarHBondContact O-CB 3.47Å; D409-R414 WeakPolarHBondContact O-CG 3.49Å; D409-R414 PolarHBondContact O-N 2.74Å
410	R	90.3	Very high	89.5	Confident	55 Å²	55	35.8 Å²	35.8	21%	0.208	17%	0.17	C	C	.	.	I	π-helix	trans	-71.1	-48.1	-176.2	178.6	172.2	160.3	-158.3	-13.3	112	F272 Y406 R407 Y408 H416 W459	F272-R410 HydrophobicContact CD2-CB 4.33Å; F272-R410 HydrophobicContact CE2-CB 4.26Å; Y406-R410 HydrophobicContact CE2-CB 4.47Å; Y406-R410 WeakPolarHBondContact O-CB 3.17Å; Y406-R410 PolarHBondContact O-N 3.46Å; Y406-R410 VanDerWaalsContact OH-CD 3.27Å; Y406-R410 WeakPolarHBondContact OH-CD 3.47Å; Y406-R410 PolarHBondContact OH-NH1 2.92Å; R407-R410 PolarHBondContact O-N 3.41Å; Y408-R410 PolarHBondContact O-N 3.28Å; R410-H416 HydrophobicContact CG-CB 3.81Å; R410-H416 WeakPolarHBondContact O-CA 3.04Å; R410-H416 VanDerWaalsContact O-CB 3.27Å; R410-H416 WeakPolarHBondContact O-CB 3.47Å; R410-H416 PolarHBondContact O-N 3.34Å; R410-W459 HydrophobicContact CB-CH2 4.05Å; R410-W459 HydrophobicContact CG-CH2 4.06Å; R410-W459 VanDerWaalsContact NH1-CZ2 3.28Å
411	E	90.6	Very high	90.1	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.047	17%	0.172	C	C	.	.	I	π-helix	trans	-84.9	-43.1	-173.6	-176.2	177.4	-131.3	0	0	113.3	W378 R407 Y408 A415 P418 R421 W459 Y460	W378-E411 HydrophobicContact CH2-CB 4.39Å; W378-E411 WeakPolarHBondContact CH2-OE2 3.44Å; W378-E411 WeakPolarHBondContact CZ2-OE2 3.5Å; R407-E411 WeakPolarHBondContact O-CB 3.44Å; R407-E411 PolarHBondContact O-N 3.29Å; Y408-E411 PolarHBondContact O-N 2.78Å; E411-A415 WeakPolarHBondContact O-CA 3.36Å; E411-A415 PolarHBondContact O-N 3.41Å; E411-P418 VanDerWaalsContact OE1-CD 3.27Å; E411-P418 WeakPolarHBondContact OE1-CD 3.47Å; E411-R421 WeakPolarHBondContact OE1-CD 3.28Å; E411-R421 IonicContact OE1-CZ 2.9Å; E411-R421 IonicContact OE1-NE 3.42Å; E411-R421 IonicContact OE1-NH1 3.27Å; E411-R421 PolarHBondContact OE1-NH1 3.35Å; E411-R421 IonicContact OE2-NH1 3.77Å; E411-R421 PolarHBondContact OE2-NH1 3.14Å; E411-W459 HydrophobicContact CB-CZ3 3.91Å; E411-Y460 VanDerWaalsContact CD-OH 3.28Å; E411-Y460 VanDerWaalsContact OE1-CE2 3.3Å; E411-Y460 WeakPolarHBondContact OE1-CE2 3.47Å; E411-Y460 PolarHBondContact OE1-OH 3.09Å; E411-Y460 PolarHBondContact OE2-OH 3.05Å
412	I	87.5	Confident	90.6	Very high	43 Å²	43	38.6 Å²	38.6	22%	0.221	18%	0.18	C	C	.	.	I	π-helix	trans	-88.5	-62.7	-173.6	-52.6	-57.1	0	0	0	109.7	I369 Y408 R414 A415	I369-I412 HydrophobicContact CB-CG2 4.1Å; I369-I412 HydrophobicContact CD1-CG2 4.01Å; I369-I412 HydrophobicContact CG2-CD1 4.37Å; I369-I412 HydrophobicContact CG2-CG2 4.1Å; Y408-I412 HydrophobicContact CD2-CB 3.93Å; Y408-I412 HydrophobicContact CD2-CG1 3.74Å; Y408-I412 HydrophobicContact CD2-CG2 4.39Å; Y408-I412 HydrophobicContact CE2-CB 3.86Å; Y408-I412 HydrophobicContact CE2-CG1 3.98Å; Y408-I412 HydrophobicContact CE2-CG2 3.81Å; Y408-I412 WeakPolarHBondContact O-CA 3.47Å; Y408-I412 WeakPolarHBondContact O-CB 3.45Å; Y408-I412 PolarHBondContact O-N 3.34Å; I412-R414 VanDerWaalsContact C-N 3.35Å; I412-R414 PolarHBondContact O-N 3.14Å; I412-A415 PolarHBondContact O-N 3.16Å
413	E	87.3	Confident	91	Very high	66 Å²	66	37.9 Å²	37.9	31%	0.308	18%	0.176	S	C	.	.	I	π-helix	trans	-64.9	-37	-175.7	-70	-67.5	145.8	0	0	113.1	S266 Y408 D409	S266-E413 WeakPolarHBondContact CB-OE2 3.46Å; S266-E413 PolarHBondContact OG-OE2 2.99Å; Y408-E413 HydrophobicContact CD1-CG 4.18Å; Y408-E413 HydrophobicContact CE1-CG 3.68Å; Y408-E413 PolarHBondContact O-N 3.35Å; Y408-E413 PolarHBondContact OH-OE1 3.47Å; D409-E413 WeakPolarHBondContact O-CB 3.34Å
414	R	89.8	Confident	91.4	Very high	124 Å²	124	36.7 Å²	36.7	47%	0.468	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	1.5	-177	-58.1	-69.5	-175.4	-170.3	-4.3	113.8	F272 D409 I412 H416	F272-R414 HydrophobicContact CE1-CG 4.31Å; F272-R414 HydrophobicContact CE2-CG 3.87Å; F272-R414 HydrophobicContact CZ-CG 3.56Å; D409-R414 WeakPolarHBondContact O-CB 3.47Å; D409-R414 WeakPolarHBondContact O-CG 3.49Å; D409-R414 PolarHBondContact O-N 2.74Å; I412-R414 VanDerWaalsContact C-N 3.35Å; I412-R414 PolarHBondContact O-N 3.14Å; R414-H416 PolarHBondContact O-CD2 2.81Å; R414-H416 PolarHBondContact O-N 3.47Å
415	A	90.7	Very high	91.7	Very high	68 Å²	68	36.6 Å²	36.6	56%	0.562	17%	0.17	S	C	*	.			trans	52.8	22.6	-179.6	0	0	0	0	0	114.8	E411 I412 R417	E411-A415 WeakPolarHBondContact O-CA 3.36Å; E411-A415 PolarHBondContact O-N 3.41Å; I412-A415 PolarHBondContact O-N 3.16Å; A415-R417 VanDerWaalsContact C-N 3.31Å; A415-R417 PolarHBondContact O-N 2.72Å
416	H	92.1	Very high	91.9	Very high	111 Å²	111	39.8 Å²	39.8	51%	0.514	19%	0.192	S	C	.	.			trans	-83.1	76.1	-179.4	-68.4	171.6	0	0	0	111.2	R410 R414	R410-H416 HydrophobicContact CG-CB 3.81Å; R410-H416 WeakPolarHBondContact O-CA 3.04Å; R410-H416 VanDerWaalsContact O-CB 3.27Å; R410-H416 WeakPolarHBondContact O-CB 3.47Å; R410-H416 PolarHBondContact O-N 3.34Å; R414-H416 PolarHBondContact O-CD2 2.81Å; R414-H416 PolarHBondContact O-N 3.47Å
417	R	92.8	Very high	92.1	Very high	83 Å²	83	43.3 Å²	43.3	31%	0.313	21%	0.213	S	C	.	.			trans	-62.1	135.4	-177.7	-67.6	176.6	-72.7	157.4	0.3	112.7	A415 K422 N425 D427	A415-R417 VanDerWaalsContact C-N 3.31Å; A415-R417 PolarHBondContact O-N 2.72Å; R417-K422 HydrophobicContact CB-CG 3.85Å; R417-K422 VanDerWaalsContact O-CE 3.31Å; R417-K422 WeakPolarHBondContact O-CE 3.03Å; R417-N425 PolarHBondContact NH1-OD1 3.23Å; R417-N425 VanDerWaalsContact NH1-OD1 3.14Å; R417-D427 IonicContact CZ-OD2 2.77Å; R417-D427 IonicContact NH1-OD2 3.77Å; R417-D427 PolarHBondContact NH1-OD2 3.35Å; R417-D427 IonicContact NH2-OD2 3.2Å; R417-D427 PolarHBondContact NH2-OD2 3.31Å
418	P	94.5	Very high	92.4	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.039	22%	0.215	C	C	.	.			trans	-71.8	168.8	175.4	33.4	-37.6	0	0	0	111.7	E411 R421 K422 D457 W459 Y460	E411-P418 VanDerWaalsContact OE1-CD 3.27Å; E411-P418 WeakPolarHBondContact OE1-CD 3.47Å; P418-R421 HydrophobicContact CG-CB 3.79Å; P418-R421 PolarHBondContact O-N 2.82Å; P418-K422 WeakPolarHBondContact O-CG 3.35Å; P418-K422 PolarHBondContact O-N 2.93Å; P418-D457 WeakPolarHBondContact CB-OD2 3.37Å; P418-W459 HydrophobicContact CB-CB 3.6Å; P418-W459 HydrophobicContact CB-CD2 3.93Å; P418-W459 HydrophobicContact CB-CE3 4.41Å; P418-W459 HydrophobicContact CB-CG 3.5Å; P418-W459 VanDerWaalsContact CB-CG 3.5Å; P418-W459 HydrophobicContact CG-CB 3.58Å; P418-W459 HydrophobicContact CG-CD2 4.1Å; P418-W459 HydrophobicContact CG-CE3 4.13Å; P418-W459 HydrophobicContact CG-CG 3.85Å; P418-Y460 HydrophobicContact CG-CD2 3.53Å; P418-Y460 HydrophobicContact CG-CE2 3.42Å; P418-Y460 VanDerWaalsContact CG-CE2 3.42Å
419	A	96.2	Very high	92.7	Very high	8 Å²	8	46.1 Å²	46.1	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-45.3	-167	0	0	0	0	0	112.2	R421 K422 I423 L428 L434 D457 Q528	A419-R421 VanDerWaalsContact C-N 3.33Å; A419-R421 PolarHBondContact O-N 3.04Å; A419-K422 PolarHBondContact O-N 2.88Å; A419-I423 VanDerWaalsContact O-CG1 3.31Å; A419-I423 WeakPolarHBondContact O-CG1 3.37Å; A419-I423 PolarHBondContact O-N 3.48Å; A419-L428 HydrophobicContact CB-CD2 4.21Å; A419-L434 HydrophobicContact CB-CD2 4Å; A419-D457 PolarHBondContact N-OD2 3.21Å; A419-Q528 HydrophobicContact CB-CB 4.43Å
420	I	95.8	Very high	92.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-39.5	178.3	-73.3	176.4	0	0	0	110.8	K422 I423 F424 L436 D457 Y460 M462	I420-K422 PolarHBondContact O-N 3.13Å; I420-I423 WeakPolarHBondContact O-CB 3.41Å; I420-I423 PolarHBondContact O-N 3.03Å; I420-I423 VanDerWaalsContact O-N 3.13Å; I420-F424 HydrophobicContact CG2-CD2 3.61Å; I420-F424 HydrophobicContact CG2-CE2 3.5Å; I420-F424 VanDerWaalsContact O-CD2 3.32Å; I420-F424 WeakPolarHBondContact O-CD2 3.48Å; I420-F424 PolarHBondContact O-N 3.32Å; I420-L436 HydrophobicContact CD1-CD2 4.22Å; I420-L436 HydrophobicContact CG1-CD2 4.36Å; I420-D457 HydrophobicContact CD1-CB 3.91Å; I420-D457 HydrophobicContact CG1-CB 3.98Å; I420-D457 PolarHBondContact N-OD2 3.2Å; I420-Y460 WeakPolarHBondContact CD1-O 3.39Å; I420-M462 HydrophobicContact CD1-CG 4.21Å; I420-M462 HydrophobicContact CD1-SD 4.35Å; I420-M462 HydrophobicContact CG1-SD 4.14Å; I420-M462 HydrophobicContact CG2-CB 4.35Å; I420-M462 HydrophobicContact CG2-SD 4.46Å
421	R	95	Very high	93	Very high	27 Å²	27	45.8 Å²	45.8	10%	0.102	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-44.5	175.2	-173.2	164.2	-174.4	-172.9	-7	111.9	E411 P418 A419 I423 F424 N425 Y460 E500 P501	E411-R421 WeakPolarHBondContact OE1-CD 3.28Å; E411-R421 IonicContact OE1-CZ 2.9Å; E411-R421 IonicContact OE1-NE 3.42Å; E411-R421 IonicContact OE1-NH1 3.27Å; E411-R421 PolarHBondContact OE1-NH1 3.35Å; E411-R421 IonicContact OE2-NH1 3.77Å; E411-R421 PolarHBondContact OE2-NH1 3.14Å; P418-R421 HydrophobicContact CG-CB 3.79Å; P418-R421 PolarHBondContact O-N 2.82Å; A419-R421 VanDerWaalsContact C-N 3.33Å; A419-R421 PolarHBondContact O-N 3.04Å; R421-I423 VanDerWaalsContact C-N 3.26Å; R421-I423 PolarHBondContact O-N 2.78Å; R421-F424 PolarHBondContact O-N 2.95Å; R421-N425 WeakPolarHBondContact CG-OD1 3.18Å; R421-N425 WeakPolarHBondContact O-CB 3.4Å; R421-N425 PolarHBondContact O-N 2.93Å; R421-N425 PolarHBondContact O-OD1 3.36Å; R421-N425 VanDerWaalsContact O-OD1 3.14Å; R421-Y460 HydrophobicContact CB-CD2 3.85Å; R421-Y460 HydrophobicContact CB-CE2 3.7Å; R421-Y460 HydrophobicContact CG-CE2 4.21Å; R421-Y460 PolarHBondContact NH1-OH 2.76Å; R421-E500 IonicContact CZ-OE1 3.13Å; R421-E500 IonicContact CZ-OE2 3.45Å; R421-E500 IonicContact NE-OE1 3.48Å; R421-E500 IonicContact NE-OE2 3.82Å; R421-E500 PolarHBondContact NE-OE2 2.86Å; R421-E500 IonicContact NH2-OE1 3.68Å; R421-E500 PolarHBondContact NH2-OE1 3.21Å; R421-E500 IonicContact NH2-OE2 3.71Å; R421-E500 PolarHBondContact NH2-OE2 2.96Å; R421-P501 HydrophobicContact CB-CG 3.99Å; R421-P501 HydrophobicContact CG-CG 3.91Å
422	K	96	Very high	93.1	Very high	66 Å²	66	46.9 Å²	46.9	29%	0.287	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-33.5	174.4	-67.8	-177.7	174.6	-171.4	0	113	R417 P418 A419 I420 C426 D427 L428	R417-K422 HydrophobicContact CB-CG 3.85Å; R417-K422 VanDerWaalsContact O-CE 3.31Å; R417-K422 WeakPolarHBondContact O-CE 3.03Å; P418-K422 WeakPolarHBondContact O-CG 3.35Å; P418-K422 PolarHBondContact O-N 2.93Å; A419-K422 PolarHBondContact O-N 2.88Å; I420-K422 PolarHBondContact O-N 3.13Å; K422-C426 PolarHBondContact O-N 2.88Å; K422-D427 HydrophobicContact CB-CB 4.37Å; K422-D427 PolarHBondContact O-N 2.78Å; K422-L428 HydrophobicContact CB-CB 3.53Å; K422-L428 HydrophobicContact CB-CD2 4.36Å; K422-L428 HydrophobicContact CD-CB 4.46Å; K422-L428 PolarHBondContact O-N 3.48Å; K422-L428 VanDerWaalsContact O-N 3.1Å
423	I	95.9	Very high	93.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-46.5	175.5	-68.6	164.3	0	0	0	110.7	A419 I420 R421 N425 C426 L428 A430 L434 M462 L492	A419-I423 VanDerWaalsContact O-CG1 3.31Å; A419-I423 WeakPolarHBondContact O-CG1 3.37Å; A419-I423 PolarHBondContact O-N 3.48Å; I420-I423 WeakPolarHBondContact O-CB 3.41Å; I420-I423 PolarHBondContact O-N 3.03Å; I420-I423 VanDerWaalsContact O-N 3.13Å; R421-I423 VanDerWaalsContact C-N 3.26Å; R421-I423 PolarHBondContact O-N 2.78Å; I423-N425 VanDerWaalsContact C-N 3.3Å; I423-N425 PolarHBondContact O-N 3.05Å; I423-C426 PolarHBondContact O-N 2.84Å; I423-C426 VanDerWaalsContact O-N 3.09Å; I423-L428 WeakPolarHBondContact CA-O 3.42Å; I423-L428 HydrophobicContact CG1-CB 4.25Å; I423-L428 HydrophobicContact CG1-CD2 4.31Å; I423-L428 HydrophobicContact CG1-CG 4.39Å; I423-L428 WeakPolarHBondContact CG1-O 3.42Å; I423-A430 HydrophobicContact CG2-CB 4.26Å; I423-L434 HydrophobicContact CD1-CD1 3.73Å; I423-L434 HydrophobicContact CD1-CD2 4.41Å; I423-M462 HydrophobicContact CG2-CE 4.45Å; I423-L492 HydrophobicContact CG2-CD1 4.18Å; I423-L492 HydrophobicContact CG2-CD2 3.92Å
424	F	94.6	Very high	93.9	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-36.9	175.5	-83.2	-68.2	0	0	0	112.8	I420 R421 C426 M462 A498 C499 P501 A504 V508	I420-F424 HydrophobicContact CG2-CD2 3.61Å; I420-F424 HydrophobicContact CG2-CE2 3.5Å; I420-F424 VanDerWaalsContact O-CD2 3.32Å; I420-F424 WeakPolarHBondContact O-CD2 3.48Å; I420-F424 PolarHBondContact O-N 3.32Å; R421-F424 PolarHBondContact O-N 2.95Å; F424-C426 PolarHBondContact O-N 3.39Å; F424-M462 HydrophobicContact CE2-CB 4.08Å; F424-M462 HydrophobicContact CZ-CB 4.06Å; F424-A498 WeakPolarHBondContact O-CA 3.47Å; F424-C499 CarbonylContact C-O 3.42Å; F424-C499 VanDerWaalsContact C-O 3.31Å; F424-C499 WeakPolarHBondContact CB-O 3.35Å; F424-C499 PolarHBondContact O-N 2.87Å; F424-P501 HydrophobicContact CB-CG 4.28Å; F424-P501 HydrophobicContact CD2-CB 3.71Å; F424-P501 HydrophobicContact CD2-CG 3.74Å; F424-P501 HydrophobicContact CE2-CB 3.91Å; F424-P501 HydrophobicContact CE2-CG 4.43Å; F424-P501 HydrophobicContact CG-CB 4.41Å; F424-P501 HydrophobicContact CG-CG 4.28Å; F424-A504 HydrophobicContact CD1-CB 3.99Å; F424-A504 HydrophobicContact CE1-CB 3.32Å; F424-A504 HydrophobicContact CZ-CB 3.82Å; F424-V508 HydrophobicContact CD1-CG1 4.23Å; F424-V508 HydrophobicContact CE1-CB 4.19Å; F424-V508 HydrophobicContact CE1-CG1 3.57Å; F424-V508 HydrophobicContact CZ-CG1 4.39Å
425	N	93.1	Very high	94.3	Very high	23 Å²	23	36 Å²	36	12%	0.123	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	3.6	175.8	-56.5	149.7	0	0	0	113.6	R417 R421 I423 D427 C499	R417-N425 PolarHBondContact NH1-OD1 3.23Å; R417-N425 VanDerWaalsContact NH1-OD1 3.14Å; R421-N425 WeakPolarHBondContact CG-OD1 3.18Å; R421-N425 WeakPolarHBondContact O-CB 3.4Å; R421-N425 PolarHBondContact O-N 2.93Å; R421-N425 PolarHBondContact O-OD1 3.36Å; R421-N425 VanDerWaalsContact O-OD1 3.14Å; I423-N425 VanDerWaalsContact C-N 3.3Å; I423-N425 PolarHBondContact O-N 3.05Å; N425-D427 PolarHBondContact O-N 2.82Å; N425-D427 VanDerWaalsContact O-N 3.14Å; N425-C499 PolarHBondContact ND2-O 3.47Å
426	C	91.7	Very high	94.6	Very high	74 Å²	74	32.8 Å²	32.8	50%	0.5	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	15.5	-175.7	-61.4	0	0	0	0	115.9	K422 I423 F424 A498	K422-C426 PolarHBondContact O-N 2.88Å; I423-C426 PolarHBondContact O-N 2.84Å; I423-C426 VanDerWaalsContact O-N 3.09Å; F424-C426 PolarHBondContact O-N 3.39Å; C426-A498 HydrophobicContact CB-CB 4.48Å
427	D	93.8	Very high	94.8	Very high	98 Å²	98	28.2 Å²	28.2	52%	0.524	16%	0.161	S	C	.	.	S	Bend	trans	-88.6	-10.6	177.6	-77.3	-22.5	0	0	0	113.5	R417 K422 N425	R417-D427 IonicContact CZ-OD2 2.77Å; R417-D427 IonicContact NH1-OD2 3.77Å; R417-D427 PolarHBondContact NH1-OD2 3.35Å; R417-D427 IonicContact NH2-OD2 3.2Å; R417-D427 PolarHBondContact NH2-OD2 3.31Å; K422-D427 HydrophobicContact CB-CB 4.37Å; K422-D427 PolarHBondContact O-N 2.78Å; N425-D427 PolarHBondContact O-N 2.82Å; N425-D427 VanDerWaalsContact O-N 3.14Å
428	L	94	Very high	94.9	Very high	21 Å²	21	24.3 Å²	24.3	11%	0.11	15%	0.146	C	C	.	.	S	Bend	trans	-136.7	123.5	175.4	-174.5	67.5	0	0	0	109.9	A419 K422 I423 A430 V432 L434 Q528	A419-L428 HydrophobicContact CB-CD2 4.21Å; K422-L428 HydrophobicContact CB-CB 3.53Å; K422-L428 HydrophobicContact CB-CD2 4.36Å; K422-L428 HydrophobicContact CD-CB 4.46Å; K422-L428 PolarHBondContact O-N 3.48Å; K422-L428 VanDerWaalsContact O-N 3.1Å; I423-L428 WeakPolarHBondContact CA-O 3.42Å; I423-L428 HydrophobicContact CG1-CB 4.25Å; I423-L428 HydrophobicContact CG1-CD2 4.31Å; I423-L428 HydrophobicContact CG1-CG 4.39Å; I423-L428 WeakPolarHBondContact CG1-O 3.42Å; L428-A430 PolarHBondContact O-N 2.8Å; L428-V432 HydrophobicContact CD1-CG1 4.22Å; L428-V432 HydrophobicContact CD1-CG2 3.96Å; L428-V432 HydrophobicContact CD2-CG2 4.16Å; L428-V432 HydrophobicContact CG-CG2 4Å; L428-L434 HydrophobicContact CD2-CD2 4.43Å; L428-Q528 HydrophobicContact CD2-CB 4.34Å; L428-Q528 HydrophobicContact CD2-CG 4.45Å
429	S	94	Very high	94.7	Very high	76 Å²	76	24.7 Å²	24.7	53%	0.531	15%	0.149	S	C	.	.			trans	-63.5	132.6	173.2	178.7	0	0	0	0	110.9	A431 V432	S429-A431 PolarHBondContact O-N 3.26Å; S429-A431 VanDerWaalsContact O-N 3.12Å; S429-A431 WeakPolarHBondContact OG-CB 3.31Å; S429-A431 PolarHBondContact OG-N 3.35Å; S429-V432 WeakPolarHBondContact O-CG1 3.35Å; S429-V432 VanDerWaalsContact O-CG2 3.22Å; S429-V432 WeakPolarHBondContact O-CG2 3.48Å; S429-V432 PolarHBondContact O-N 3.45Å
430	A	94.5	Very high	94.5	Very high	7 Å²	7	26 Å²	26	6%	0.058	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.4	172.2	0	0	0	0	0	113.6	I423 L428 V432 A490 L492 L510	I423-A430 HydrophobicContact CG2-CB 4.26Å; L428-A430 PolarHBondContact O-N 2.8Å; A430-V432 VanDerWaalsContact C-N 3.3Å; A430-V432 PolarHBondContact O-N 3.49Å; A430-A490 CarbonylContact C-O 3.59Å; A430-A490 VanDerWaalsContact C-O 3.26Å; A430-L492 HydrophobicContact CB-CB 4.09Å; A430-L510 HydrophobicContact CB-CD1 3.67Å
431	A	93	Very high	94.3	Very high	42 Å²	42	27.9 Å²	27.9	35%	0.347	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-14.5	-179	0	0	0	0	0	113.8	S429 G489 A490	S429-A431 PolarHBondContact O-N 3.26Å; S429-A431 VanDerWaalsContact O-N 3.12Å; S429-A431 WeakPolarHBondContact OG-CB 3.31Å; S429-A431 PolarHBondContact OG-N 3.35Å; A431-G489 PolarHBondContact O-N 2.82Å; A431-A490 WeakPolarHBondContact CA-O 3.36Å; A431-A490 PolarHBondContact N-O 3.12Å
432	V	93.1	Very high	93.9	Very high	33 Å²	33	31.5 Å²	31.5	20%	0.2	18%	0.183	C	C	.	.	S	Bend	trans	-67.4	160.4	178.9	-55.9	0	0	0	0	111.6	L428 S429 A430 L434 Q528	L428-V432 HydrophobicContact CD1-CG1 4.22Å; L428-V432 HydrophobicContact CD1-CG2 3.96Å; L428-V432 HydrophobicContact CD2-CG2 4.16Å; L428-V432 HydrophobicContact CG-CG2 4Å; S429-V432 WeakPolarHBondContact O-CG1 3.35Å; S429-V432 VanDerWaalsContact O-CG2 3.22Å; S429-V432 WeakPolarHBondContact O-CG2 3.48Å; S429-V432 PolarHBondContact O-N 3.45Å; A430-V432 VanDerWaalsContact C-N 3.3Å; A430-V432 PolarHBondContact O-N 3.49Å; V432-L434 HydrophobicContact CG2-CD2 4.01Å; V432-L434 HydrophobicContact CG2-CG 4.24Å; V432-L434 PolarHBondContact O-N 2.79Å; V432-Q528 HydrophobicContact CG2-CG 4.39Å
433	P	95.1	Very high	93	Very high	2 Å²	2	32 Å²	32	1%	0.013	19%	0.188	C	C	.	.			trans	-58.4	124	170.3	-26.8	35.5	0	0	0	113.4	Y486 V487 I488 Q529 L531	P433-Y486 HydrophobicContact CB-CE2 4.01Å; P433-Y486 WeakPolarHBondContact CB-OH 3.35Å; P433-V487 CarbonylContact C-O 3.55Å; P433-V487 WeakPolarHBondContact CA-O 3.44Å; P433-I488 HydrophobicContact CB-CD1 4.49Å; P433-I488 HydrophobicContact CG-CD1 3.74Å; P433-I488 HydrophobicContact CG-CG1 4.2Å; P433-Q529 HydrophobicContact CB-CB 3.94Å; P433-Q529 PolarHBondContact O-N 3.48Å; P433-L531 HydrophobicContact CG-CD1 4.36Å; P433-L531 HydrophobicContact CG-CD2 3.31Å; P433-L531 HydrophobicContact CG-CG 3.7Å
434	L	96.5	Very high	91.4	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.8	175.8	-60.5	169.4	0	0	0	109.2	A419 I423 L428 V432 L436 Y486 V487 Q528	A419-L434 HydrophobicContact CB-CD2 4Å; I423-L434 HydrophobicContact CD1-CD1 3.73Å; I423-L434 HydrophobicContact CD1-CD2 4.41Å; L428-L434 HydrophobicContact CD2-CD2 4.43Å; V432-L434 HydrophobicContact CG2-CD2 4.01Å; V432-L434 HydrophobicContact CG2-CG 4.24Å; V432-L434 PolarHBondContact O-N 2.79Å; L434-L436 HydrophobicContact CB-CD1 4.49Å; L434-L436 HydrophobicContact CB-CD2 4.26Å; L434-L436 HydrophobicContact CB-CG 4.04Å; L434-L436 HydrophobicContact CD1-CD1 4.3Å; L434-Y486 CarbonylContact O-C 3.51Å; L434-Y486 WeakPolarHBondContact O-CA 3.43Å; L434-V487 HydrophobicContact CB-CB 4.41Å; L434-V487 PolarHBondContact N-O 3.48Å; L434-V487 PolarHBondContact O-N 2.97Å; L434-Q528 HydrophobicContact CD2-CB 4.39Å
435	V	97.6	Very high	90.1	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.6	157.9	175.9	0	0	0	0	107.2	K484 L485 Y486 A520 A524 L526 G527 Q529	V435-K484 HydrophobicContact CG1-CB 4.26Å; V435-L485 CarbonylContact C-O 3.59Å; V435-L485 VanDerWaalsContact CA-O 3.27Å; V435-L485 WeakPolarHBondContact CA-O 3.45Å; V435-Y486 HydrophobicContact CG2-CD2 4.03Å; V435-A520 HydrophobicContact CG1-CB 3.87Å; V435-A520 HydrophobicContact CG2-CB 4.3Å; V435-A524 HydrophobicContact CG1-CB 4.02Å; V435-A524 HydrophobicContact CG2-CB 4.38Å; V435-L526 HydrophobicContact CG1-CD2 3.9Å; V435-L526 CarbonylContact O-C 3.48Å; V435-L526 WeakPolarHBondContact O-CA 3.44Å; V435-G527 PolarHBondContact N-O 3.32Å; V435-G527 PolarHBondContact O-N 3.07Å; V435-Q529 HydrophobicContact CB-CG 4.35Å; V435-Q529 VanDerWaalsContact CG2-CD 3.45Å; V435-Q529 HydrophobicContact CG2-CG 3.53Å
436	L	97.8	Very high	89	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	158.1	178.3	-57.1	178.9	0	0	0	109.4	I420 L434 V455 T456 D457 K484 L485 V487 L510	I420-L436 HydrophobicContact CD1-CD2 4.22Å; I420-L436 HydrophobicContact CG1-CD2 4.36Å; L434-L436 HydrophobicContact CB-CD1 4.49Å; L434-L436 HydrophobicContact CB-CD2 4.26Å; L434-L436 HydrophobicContact CB-CG 4.04Å; L434-L436 HydrophobicContact CD1-CD1 4.3Å; L436-V455 HydrophobicContact CB-CB 4.22Å; L436-V455 HydrophobicContact CD1-CB 4.22Å; L436-V455 HydrophobicContact CD1-CG2 3.84Å; L436-T456 CarbonylContact C-O 3.51Å; L436-T456 WeakPolarHBondContact CA-O 3.41Å; L436-D457 HydrophobicContact CD2-CB 4Å; L436-K484 CarbonylContact O-C 3.39Å; L436-K484 WeakPolarHBondContact O-CA 3.37Å; L436-L485 PolarHBondContact N-O 3.14Å; L436-L485 PolarHBondContact O-N 3.07Å; L436-V487 HydrophobicContact CD1-CG2 4.41Å; L436-L510 HydrophobicContact CD1-CD2 3.98Å
437	C	96	Very high	88.2	Confident	15 Å²	15	53.1 Å²	53.1	10%	0.101	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.3	172.1	-170.9	0	0	0	0	109.1	S439 V455 T456 G482 Q483 K484 L526	C437-S439 PolarHBondContact O-N 2.97Å; C437-V455 CarbonylContact O-C 3.44Å; C437-V455 VanDerWaalsContact O-CA 3.25Å; C437-V455 WeakPolarHBondContact O-CA 3.48Å; C437-T456 HydrophobicContact CB-CG2 3.83Å; C437-T456 PolarHBondContact N-O 2.93Å; C437-T456 PolarHBondContact O-N 3.33Å; C437-G482 VanDerWaalsContact SG-C 3.5Å; C437-G482 PolarHBondContact SG-O 3.06Å; C437-Q483 WeakPolarHBondContact CA-O 3.37Å; C437-K484 HydrophobicContact CB-CG 4.47Å; C437-L526 HydrophobicContact CB-CD1 4.32Å; C437-L526 HydrophobicContact CB-CD2 4.1Å
438	L	94.9	Very high	87.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	112.5	172.8	-162.8	153.1	0	0	0	108.5	V441 V453 L474 V481 G482 Q483 L485	L438-V441 HydrophobicContact CD2-CG2 4.22Å; L438-V453 HydrophobicContact CD1-CB 4.45Å; L438-V453 HydrophobicContact CD1-CG1 4.36Å; L438-V453 HydrophobicContact CD1-CG2 4.44Å; L438-V453 HydrophobicContact CG-CB 4.4Å; L438-L474 HydrophobicContact CD1-CD1 4.07Å; L438-V481 HydrophobicContact CD2-CB 4.2Å; L438-V481 HydrophobicContact CD2-CG2 3.62Å; L438-V481 CarbonylContact O-C 3.51Å; L438-G482 PolarHBondContact O-N 3.43Å; L438-Q483 PolarHBondContact N-O 3.26Å; L438-L485 HydrophobicContact CD1-CD1 4.48Å
439	S	91.2	Very high	87.4	Confident	14 Å²	14	52.5 Å²	52.5	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-32.7	-173.2	55.7	0	0	0	0	113.8	C314 C437 E454 V481	C314-S439 PolarHBondContact SG-O 3.27Å; C437-S439 PolarHBondContact O-N 2.97Å; S439-E454 PolarHBondContact N-O 2.97Å; S439-E454 WeakPolarHBondContact OG-CB 3.12Å; S439-E454 VanDerWaalsContact OG-CG 3.26Å; S439-E454 WeakPolarHBondContact OG-CG 3.17Å; S439-E454 PolarHBondContact OG-O 3Å; S439-E454 PolarHBondContact OG-OE2 2.95Å; S439-V481 WeakPolarHBondContact O-CG1 3.41Å
440	D	91.1	Very high	87.3	Confident	36 Å²	36	51.4 Å²	51.4	19%	0.193	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	165.7	178.5	-159.1	7.8	0	0	0	111.7	K315 V453 E454	K315-D440 WeakPolarHBondContact CE-OD1 3.4Å; K315-D440 IonicContact NZ-OD1 2.78Å; K315-D440 PolarHBondContact NZ-OD1 3.07Å; K315-D440 IonicContact NZ-OD2 2.74Å; D440-V453 CarbonylContact O-C 3.5Å; D440-V453 WeakPolarHBondContact O-CA 3.39Å; D440-V453 WeakPolarHBondContact O-CB 3.39Å; D440-E454 HydrophobicContact CB-CB 4.07Å; D440-E454 PolarHBondContact O-N 3.45Å
441	V	91.4	Very high	87.2	Confident	40 Å²	40	51.1 Å²	51.1	24%	0.242	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.2	171.4	-176.1	0	0	0	0	107.4	L438 A444 V451 V453 L474 V481	L438-V441 HydrophobicContact CD2-CG2 4.22Å; V441-A444 HydrophobicContact CG1-CB 3.93Å; V441-V451 HydrophobicContact CG1-CG1 4.05Å; V441-V453 HydrophobicContact CG1-CG1 4.47Å; V441-V453 HydrophobicContact CG2-CG1 4.38Å; V441-L474 HydrophobicContact CG1-CD2 4.04Å; V441-L474 HydrophobicContact CG2-CD1 4.3Å; V441-L474 HydrophobicContact CG2-CD2 4.26Å; V441-V481 HydrophobicContact CG2-CG2 4.02Å
442	K	87	Confident	87.3	Confident	103 Å²	103	50.9 Å²	50.9	45%	0.448	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-44.1	-170.7	-72.1	-163.5	172.8	172.7	0	113.6	T452 E454 N463	K442-T452 HydrophobicContact CB-CG2 4.45Å; K442-T452 PolarHBondContact N-O 3.13Å; K442-E454 WeakPolarHBondContact CE-OE1 3.4Å; K442-E454 IonicContact NZ-OE1 3.69Å; K442-E454 PolarHBondContact NZ-OE1 3.15Å; K442-N463 WeakPolarHBondContact CD-OD1 3.45Å; K442-N463 WeakPolarHBondContact CE-OD1 3.39Å; K442-N463 PolarHBondContact NZ-OD1 3.1Å
443	N	76.6	Confident	87.4	Confident	75 Å²	75	49.3 Å²	49.3	40%	0.401	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	100.4	177.7	-163.8	-8.5	0	0	0	109.9	D445 V451 T452	N443-D445 PolarHBondContact ND2-OD2 2.94Å; N443-D445 PolarHBondContact OD1-N 3.15Å; N443-D445 PolarHBondContact OD1-OD2 3.28Å; N443-V451 WeakPolarHBondContact O-CG1 3.43Å; N443-T452 PolarHBondContact N-O 3.23Å
444	A	62.9	Low	87.4	Confident	65 Å²	65	51.3 Å²	51.3	54%	0.537	28%	0.28	S	S	.	.			trans	-100.4	29.6	178.2	0	0	0	0	0	111.9	V441 E446	V441-A444 HydrophobicContact CG1-CB 3.93Å; A444-E446 PolarHBondContact O-N 2.93Å
445	D	67.6	Low	87.4	Confident	98 Å²	98	51.3 Å²	51.3	52%	0.524	28%	0.28	S	S	.	.			trans	-48.6	113.4	171.4	-82.5	-28.4	0	0	0	109.5	N443 K447 A448	N443-D445 PolarHBondContact ND2-OD2 2.94Å; N443-D445 PolarHBondContact OD1-N 3.15Å; N443-D445 PolarHBondContact OD1-OD2 3.28Å; D445-K447 PolarHBondContact O-N 2.73Å; D445-A448 HydrophobicContact CB-CB 4.09Å; D445-A448 WeakPolarHBondContact O-CB 3.41Å; D445-A448 PolarHBondContact O-N 3.47Å
446	E	68.9	Low	87.2	Confident	178 Å²	178	51.9 Å²	51.9	83%	0.832	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.4	-173.8	-66.7	-172	159.6	0	0	111.9	A444	A444-E446 PolarHBondContact O-N 2.93Å
447	K	75.3	Confident	87.1	Confident	209 Å²	209	52.1 Å²	52.1	91%	0.909	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.7	179.1	-63.8	-177.6	-179.2	178.1	0	114	D445	D445-K447 PolarHBondContact O-N 2.73Å
448	A	82.6	Confident	86.8	Confident	34 Å²	34	51.8 Å²	51.8	28%	0.281	28%	0.284	S	S	.	.			trans	-71.3	135.7	-178	0	0	0	0	0	110.4	D445 C450 R475	D445-A448 HydrophobicContact CB-CB 4.09Å; D445-A448 WeakPolarHBondContact O-CB 3.41Å; D445-A448 PolarHBondContact O-N 3.47Å; A448-C450 VanDerWaalsContact C-N 3.33Å; A448-C450 PolarHBondContact O-N 3.06Å; A448-R475 PolarHBondContact O-NH2 3.03Å
449	S	88.4	Confident	86.6	Confident	71 Å²	71	53 Å²	53	50%	0.497	29%	0.289	S	S	.	.	S	Bend	trans	-67.2	-37.2	178.1	-171	0	0	0	0	112.2	V468	S449-V468 WeakPolarHBondContact OG-CG2 3.4Å
450	C	91	Very high	86.7	Confident	53 Å²	53	52.4 Å²	52.4	36%	0.358	28%	0.284	S	S	.	.	S	Bend	trans	-116.9	135.5	-179.2	-61.9	0	0	0	0	110.4	A448 V465 L466 S471	A448-C450 VanDerWaalsContact C-N 3.33Å; A448-C450 PolarHBondContact O-N 3.06Å; C450-V465 HydrophobicContact CB-CG1 3.97Å; C450-L466 VanDerWaalsContact CB-O 3.23Å; C450-L466 WeakPolarHBondContact CB-O 3.28Å; C450-S471 WeakPolarHBondContact CA-OG 3.4Å
451	V	93.9	Very high	86.8	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.012	29%	0.289	C	S	.	.			trans	-99.5	139.7	-179.5	172.2	0	0	0	0	110.3	V441 N443 V453 L466 S471 L474	V441-V451 HydrophobicContact CG1-CG1 4.05Å; N443-V451 WeakPolarHBondContact O-CG1 3.43Å; V451-V453 HydrophobicContact CG1-CG1 4.03Å; V451-L466 PolarHBondContact O-N 3.12Å; V451-S471 PolarHBondContact N-OG 3.27Å; V451-L474 HydrophobicContact CB-CD2 4.29Å; V451-L474 HydrophobicContact CG1-CD2 3.57Å
452	T	94.9	Very high	86.9	Confident	37 Å²	37	51 Å²	51	23%	0.227	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.9	171.5	-55.6	0	0	0	0	110.1	K442 N443 A464	K442-T452 HydrophobicContact CB-CG2 4.45Å; K442-T452 PolarHBondContact N-O 3.13Å; N443-T452 PolarHBondContact N-O 3.23Å; T452-A464 CarbonylContact C-O 3.52Å; T452-A464 WeakPolarHBondContact CA-O 3.15Å
453	V	95.1	Very high	87.2	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	169.3	176.6	-58.1	0	0	0	0	110.2	L438 D440 V441 V451 V455 A464 L466 L474	L438-V453 HydrophobicContact CD1-CB 4.45Å; L438-V453 HydrophobicContact CD1-CG1 4.36Å; L438-V453 HydrophobicContact CD1-CG2 4.44Å; L438-V453 HydrophobicContact CG-CB 4.4Å; D440-V453 CarbonylContact O-C 3.5Å; D440-V453 WeakPolarHBondContact O-CA 3.39Å; D440-V453 WeakPolarHBondContact O-CB 3.39Å; V441-V453 HydrophobicContact CG1-CG1 4.47Å; V441-V453 HydrophobicContact CG2-CG1 4.38Å; V451-V453 HydrophobicContact CG1-CG1 4.03Å; V453-V455 HydrophobicContact CG2-CG1 4.24Å; V453-A464 HydrophobicContact CG2-CB 4.03Å; V453-A464 PolarHBondContact N-O 2.79Å; V453-A464 PolarHBondContact O-N 3.16Å; V453-L466 HydrophobicContact CG1-CD1 3.73Å; V453-L466 HydrophobicContact CG1-CG 4.07Å; V453-L466 HydrophobicContact CG2-CD1 4.36Å; V453-L466 HydrophobicContact CG2-CD2 3.9Å; V453-L466 HydrophobicContact CG2-CG 3.99Å; V453-L474 HydrophobicContact CG1-CD2 4.26Å
454	E	94.5	Very high	88.2	Confident	43 Å²	43	44.4 Å²	44.4	20%	0.201	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.7	168.7	-165.8	-178.2	-107.5	0	0	109.7	S439 D440 K442	S439-E454 PolarHBondContact N-O 2.97Å; S439-E454 WeakPolarHBondContact OG-CB 3.12Å; S439-E454 VanDerWaalsContact OG-CG 3.26Å; S439-E454 WeakPolarHBondContact OG-CG 3.17Å; S439-E454 PolarHBondContact OG-O 3Å; S439-E454 PolarHBondContact OG-OE2 2.95Å; D440-E454 HydrophobicContact CB-CB 4.07Å; D440-E454 PolarHBondContact O-N 3.45Å; K442-E454 WeakPolarHBondContact CE-OE1 3.4Å; K442-E454 IonicContact NZ-OE1 3.69Å; K442-E454 PolarHBondContact NZ-OE1 3.15Å
455	V	95.9	Very high	89.7	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.2	177.9	-64.2	0	0	0	0	110.9	L436 C437 V453 S461 M462 A464 L510 L512	L436-V455 HydrophobicContact CB-CB 4.22Å; L436-V455 HydrophobicContact CD1-CB 4.22Å; L436-V455 HydrophobicContact CD1-CG2 3.84Å; C437-V455 CarbonylContact O-C 3.44Å; C437-V455 VanDerWaalsContact O-CA 3.25Å; C437-V455 WeakPolarHBondContact O-CA 3.48Å; V453-V455 HydrophobicContact CG2-CG1 4.24Å; V455-S461 CarbonylContact O-C 3.57Å; V455-S461 VanDerWaalsContact O-CA 3.26Å; V455-S461 WeakPolarHBondContact O-CA 3.4Å; V455-M462 HydrophobicContact CG2-CG 3.66Å; V455-M462 PolarHBondContact N-O 3.18Å; V455-M462 PolarHBondContact O-N 3.07Å; V455-A464 HydrophobicContact CG1-CB 4.11Å; V455-A464 HydrophobicContact CG2-CB 3.94Å; V455-L510 HydrophobicContact CG2-CD2 4.45Å; V455-L512 HydrophobicContact CG1-CD1 4.34Å
456	T	94.8	Very high	91.1	Very high	14 Å²	14	38 Å²	38	9%	0.086	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.8	-177.6	-178.1	0	0	0	0	112.7	L436 C437 G458 Y460	L436-T456 CarbonylContact C-O 3.51Å; L436-T456 WeakPolarHBondContact CA-O 3.41Å; C437-T456 HydrophobicContact CB-CG2 3.83Å; C437-T456 PolarHBondContact N-O 2.93Å; C437-T456 PolarHBondContact O-N 3.33Å; T456-G458 PolarHBondContact OG1-N 2.86Å; T456-Y460 VanDerWaalsContact CA-O 3.26Å; T456-Y460 WeakPolarHBondContact CA-O 3.39Å; T456-Y460 WeakPolarHBondContact CB-O 3.25Å; T456-Y460 PolarHBondContact OG1-O 2.82Å
457	D	94.9	Very high	92.3	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	17%	0.172	C	C	.	.			trans	-96.6	9.6	167.6	71	-8.9	0	0	0	112.8	P418 A419 I420 L436 W459 Y460 L526	P418-D457 WeakPolarHBondContact CB-OD2 3.37Å; A419-D457 PolarHBondContact N-OD2 3.21Å; I420-D457 HydrophobicContact CD1-CB 3.91Å; I420-D457 HydrophobicContact CG1-CB 3.98Å; I420-D457 PolarHBondContact N-OD2 3.2Å; L436-D457 HydrophobicContact CD2-CB 4Å; D457-W459 VanDerWaalsContact C-N 3.34Å; D457-W459 WeakPolarHBondContact OD1-CB 3.4Å; D457-W459 PolarHBondContact OD1-N 3.35Å; D457-Y460 PolarHBondContact N-O 3.46Å; D457-Y460 PolarHBondContact OD1-N 3.48Å; D457-L526 WeakPolarHBondContact O-CB 3.48Å
458	G	89.1	Confident	93.2	Very high	8 Å²	8	24.7 Å²	24.7	8%	0.082	15%	0.153	C	C	.	.	S	Bend	trans	85.8	1.2	-177.4	0	0	0	0	0	114.7	R407 T456	R407-G458 PolarHBondContact NH2-O 3.11Å; T456-G458 PolarHBondContact OG1-N 2.86Å
459	W	91.6	Very high	93.8	Very high	25 Å²	25	25.9 Å²	25.9	10%	0.095	15%	0.152	C	C	.	.	S	Bend	trans	-120.9	-52.1	175	-67.9	67.5	0	0	0	110.7	W378 Y406 R407 R410 E411 P418 D457	W378-W459 HydrophobicContact CE3-CZ3 4.48Å; W378-W459 HydrophobicContact CH2-CD2 4.44Å; W378-W459 AromaticContact CH2-CE3 3.24Å; W378-W459 HydrophobicContact CH2-CE3 3.24Å; W378-W459 AromaticContact CH2-CZ3 3.44Å; W378-W459 HydrophobicContact CH2-CZ3 3.44Å; W378-W459 VanDerWaalsContact CH2-CZ3 3.44Å; W378-W459 HydrophobicContact CZ2-CE3 4.23Å; W378-W459 AromaticContact CZ3-CE3 3.51Å; W378-W459 HydrophobicContact CZ3-CE3 3.51Å; W378-W459 HydrophobicContact CZ3-CH2 4.34Å; W378-W459 AromaticContact CZ3-CZ3 3.32Å; W378-W459 HydrophobicContact CZ3-CZ3 3.32Å; Y406-W459 HydrophobicContact CE1-CZ2 4.32Å; R407-W459 HydrophobicContact CB-CH2 4.05Å; R407-W459 HydrophobicContact CB-CZ3 4.12Å; R407-W459 HydrophobicContact CG-CE3 4.5Å; R407-W459 HydrophobicContact CG-CH2 3.58Å; R407-W459 HydrophobicContact CG-CZ2 3.98Å; R407-W459 HydrophobicContact CG-CZ3 3.87Å; R410-W459 HydrophobicContact CB-CH2 4.05Å; R410-W459 HydrophobicContact CG-CH2 4.06Å; R410-W459 VanDerWaalsContact NH1-CZ2 3.28Å; E411-W459 HydrophobicContact CB-CZ3 3.91Å; P418-W459 HydrophobicContact CB-CB 3.6Å; P418-W459 HydrophobicContact CB-CD2 3.93Å; P418-W459 HydrophobicContact CB-CE3 4.41Å; P418-W459 HydrophobicContact CB-CG 3.5Å; P418-W459 VanDerWaalsContact CB-CG 3.5Å; P418-W459 HydrophobicContact CG-CB 3.58Å; P418-W459 HydrophobicContact CG-CD2 4.1Å; P418-W459 HydrophobicContact CG-CE3 4.13Å; P418-W459 HydrophobicContact CG-CG 3.85Å; D457-W459 VanDerWaalsContact C-N 3.34Å; D457-W459 WeakPolarHBondContact OD1-CB 3.4Å; D457-W459 PolarHBondContact OD1-N 3.35Å
460	Y	93.2	Very high	94.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	13%	0.129	C	C	.	.			trans	-125.1	167.7	175.9	-60.9	-77.2	0	0	0	110.5	W378 E411 P418 I420 R421 T456 D457 P501 W502	W378-Y460 HydrophobicContact CZ2-CE1 4.2Å; W378-Y460 HydrophobicContact CZ2-CE2 4.41Å; W378-Y460 AromaticContact CZ2-CZ 3.79Å; W378-Y460 WeakPolarHBondContact CZ2-OH 3.27Å; E411-Y460 VanDerWaalsContact CD-OH 3.28Å; E411-Y460 VanDerWaalsContact OE1-CE2 3.3Å; E411-Y460 WeakPolarHBondContact OE1-CE2 3.47Å; E411-Y460 PolarHBondContact OE1-OH 3.09Å; E411-Y460 PolarHBondContact OE2-OH 3.05Å; P418-Y460 HydrophobicContact CG-CD2 3.53Å; P418-Y460 HydrophobicContact CG-CE2 3.42Å; P418-Y460 VanDerWaalsContact CG-CE2 3.42Å; I420-Y460 WeakPolarHBondContact CD1-O 3.39Å; R421-Y460 HydrophobicContact CB-CD2 3.85Å; R421-Y460 HydrophobicContact CB-CE2 3.7Å; R421-Y460 HydrophobicContact CG-CE2 4.21Å; R421-Y460 PolarHBondContact NH1-OH 2.76Å; T456-Y460 VanDerWaalsContact CA-O 3.26Å; T456-Y460 WeakPolarHBondContact CA-O 3.39Å; T456-Y460 WeakPolarHBondContact CB-O 3.25Å; T456-Y460 PolarHBondContact OG1-O 2.82Å; D457-Y460 PolarHBondContact N-O 3.46Å; D457-Y460 PolarHBondContact OD1-N 3.48Å; Y460-P501 HydrophobicContact CD1-CB 3.63Å; Y460-P501 HydrophobicContact CD1-CG 3.98Å; Y460-P501 HydrophobicContact CD2-CG 4.15Å; Y460-P501 HydrophobicContact CE1-CB 4.11Å; Y460-P501 HydrophobicContact CE1-CG 4.17Å; Y460-P501 HydrophobicContact CE2-CG 4.32Å; Y460-P501 HydrophobicContact CG-CB 3.87Å; Y460-P501 HydrophobicContact CG-CG 3.96Å; Y460-W502 AromaticContact CE1-CE3 3.84Å; Y460-W502 HydrophobicContact CE1-CE3 3.84Å; Y460-W502 AromaticContact CE1-CZ3 3.88Å; Y460-W502 HydrophobicContact CE1-CZ3 3.88Å; Y460-W502 AromaticContact CZ-CZ3 3.91Å; Y460-W502 WeakPolarHBondContact OH-CZ3 3.48Å
461	S	92.3	Very high	94.4	Very high	42 Å²	42	20.1 Å²	20.1	29%	0.294	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	151.9	174.7	-63.4	0	0	0	0	109.7	V455	V455-S461 CarbonylContact O-C 3.57Å; V455-S461 VanDerWaalsContact O-CA 3.26Å; V455-S461 WeakPolarHBondContact O-CA 3.4Å
462	M	93.5	Very high	94.4	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.025	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.7	173.2	71.4	-175.1	-52	0	0	110.6	I420 I423 F424 V455 L492 L510	I420-M462 HydrophobicContact CD1-CG 4.21Å; I420-M462 HydrophobicContact CD1-SD 4.35Å; I420-M462 HydrophobicContact CG1-SD 4.14Å; I420-M462 HydrophobicContact CG2-CB 4.35Å; I420-M462 HydrophobicContact CG2-SD 4.46Å; I423-M462 HydrophobicContact CG2-CE 4.45Å; F424-M462 HydrophobicContact CE2-CB 4.08Å; F424-M462 HydrophobicContact CZ-CB 4.06Å; V455-M462 HydrophobicContact CG2-CG 3.66Å; V455-M462 PolarHBondContact N-O 3.18Å; V455-M462 PolarHBondContact O-N 3.07Å; M462-L492 HydrophobicContact CE-CD1 3.73Å; M462-L510 HydrophobicContact CE-CB 3.82Å; M462-L510 HydrophobicContact CE-CD1 4.31Å; M462-L510 HydrophobicContact SD-CB 4.13Å; M462-L510 HydrophobicContact SD-CD2 4.12Å
463	N	95.1	Very high	94.4	Very high	39 Å²	39	23.2 Å²	23.2	21%	0.209	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	141.3	172.4	-66.8	-23.1	0	0	0	110	K442 R509 L510	K442-N463 WeakPolarHBondContact CD-OD1 3.45Å; K442-N463 WeakPolarHBondContact CE-OD1 3.39Å; K442-N463 PolarHBondContact NZ-OD1 3.1Å; N463-R509 HydrophobicContact CB-CB 4.19Å; N463-R509 CarbonylContact O-C 3.54Å; N463-R509 VanDerWaalsContact O-CA 3.31Å; N463-R509 WeakPolarHBondContact O-CA 3.38Å; N463-L510 PolarHBondContact O-N 3.49Å
464	A	96.3	Very high	94.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.8	173.1	0	0	0	0	0	111.3	T452 V453 V455 L510 L512	T452-A464 CarbonylContact C-O 3.52Å; T452-A464 WeakPolarHBondContact CA-O 3.15Å; V453-A464 HydrophobicContact CG2-CB 4.03Å; V453-A464 PolarHBondContact N-O 2.79Å; V453-A464 PolarHBondContact O-N 3.16Å; V455-A464 HydrophobicContact CG1-CB 4.11Å; V455-A464 HydrophobicContact CG2-CB 3.94Å; A464-L510 CarbonylContact C-O 3.56Å; A464-L510 WeakPolarHBondContact CA-O 3.31Å; A464-L510 HydrophobicContact CB-CB 3.99Å; A464-L512 HydrophobicContact CB-CD1 3.79Å; A464-L512 HydrophobicContact CB-CG 4.06Å
465	V	95.7	Very high	94.3	Very high	25 Å²	25	28 Å²	28	15%	0.152	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.9	173.7	-178.6	0	0	0	0	108.2	C450 R509 L510 L512	C450-V465 HydrophobicContact CB-CG1 3.97Å; V465-R509 HydrophobicContact CG2-CB 4.48Å; V465-R509 HydrophobicContact CG2-CG 4.25Å; V465-L510 PolarHBondContact N-O 2.89Å; V465-L512 PolarHBondContact O-N 3.16Å
466	L	96.1	Very high	94.3	Very high	3 Å²	3	36 Å²	36	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	137.4	173.4	-59	-174.1	0	0	0	109.6	C450 V451 V453 L470 S471 L474 L512	C450-L466 VanDerWaalsContact CB-O 3.23Å; C450-L466 WeakPolarHBondContact CB-O 3.28Å; V451-L466 PolarHBondContact O-N 3.12Å; V453-L466 HydrophobicContact CG1-CD1 3.73Å; V453-L466 HydrophobicContact CG1-CG 4.07Å; V453-L466 HydrophobicContact CG2-CD1 4.36Å; V453-L466 HydrophobicContact CG2-CD2 3.9Å; V453-L466 HydrophobicContact CG2-CG 3.99Å; L466-L470 HydrophobicContact CB-CB 3.83Å; L466-L470 HydrophobicContact CD1-CB 4.36Å; L466-L470 HydrophobicContact CD2-CB 4.24Å; L466-L470 HydrophobicContact CD2-CD1 4.21Å; L466-L470 HydrophobicContact CG-CB 4.36Å; L466-S471 PolarHBondContact O-OG 3.3Å; L466-L474 HydrophobicContact CD1-CB 4.3Å; L466-L474 HydrophobicContact CD1-CD2 4.38Å; L466-L512 HydrophobicContact CD2-CB 4.1Å; L466-L512 HydrophobicContact CD2-CD1 3.89Å
467	D	95.2	Very high	94.1	Very high	23 Å²	23	37.5 Å²	37.5	12%	0.123	19%	0.19	C	C	.	.			trans	-62.7	174.8	168.3	77.1	7.3	0	0	0	112.3	K469 L470 S471 L512 S513 V514	D467-K469 PolarHBondContact O-N 3.46Å; D467-K469 PolarHBondContact OD1-N 3.25Å; D467-K469 VanDerWaalsContact OD1-N 3.08Å; D467-L470 PolarHBondContact O-N 3.44Å; D467-L470 WeakPolarHBondContact OD1-CB 3.32Å; D467-L470 WeakPolarHBondContact OD1-CG 3.48Å; D467-L470 PolarHBondContact OD1-N 3.02Å; D467-S471 VanDerWaalsContact O-CB 3.25Å; D467-S471 WeakPolarHBondContact O-CB 3.37Å; D467-S471 PolarHBondContact O-N 3.17Å; D467-S471 PolarHBondContact O-OG 3.39Å; D467-L512 PolarHBondContact N-O 3.44Å; D467-S513 WeakPolarHBondContact OD2-CA 3.43Å; D467-V514 WeakPolarHBondContact OD2-CG1 3.37Å; D467-V514 PolarHBondContact OD2-N 3.18Å
468	V	93.9	Very high	94.1	Very high	86 Å²	86	41.8 Å²	41.8	52%	0.521	21%	0.212	S	C	.	.	H	α-helix	trans	-56.1	-38.9	-176.7	-174.7	0	0	0	0	111.6	S449 Q472	S449-V468 WeakPolarHBondContact OG-CG2 3.4Å; V468-Q472 PolarHBondContact O-N 3.14Å
469	K	94.9	Very high	94.4	Very high	58 Å²	58	42.1 Å²	42.1	25%	0.252	21%	0.212	S	C	.	.	H	α-helix	trans	-80.1	-41.6	-174.1	-164.6	67.7	-177.5	177.8	0	112.2	D467 S471 Q472 F473 V514 Y543	D467-K469 PolarHBondContact O-N 3.46Å; D467-K469 PolarHBondContact OD1-N 3.25Å; D467-K469 VanDerWaalsContact OD1-N 3.08Å; K469-S471 VanDerWaalsContact C-N 3.28Å; K469-S471 PolarHBondContact O-N 3.2Å; K469-Q472 WeakPolarHBondContact O-CB 3.47Å; K469-Q472 PolarHBondContact O-N 3.35Å; K469-F473 HydrophobicContact CD-CE1 4.47Å; K469-F473 HydrophobicContact CG-CE1 4.29Å; K469-F473 HydrophobicContact CG-CE2 4.36Å; K469-F473 HydrophobicContact CG-CZ 4.01Å; K469-F473 WeakPolarHBondContact O-CG 3.41Å; K469-F473 PolarHBondContact O-N 3.34Å; K469-V514 HydrophobicContact CB-CB 4.07Å; K469-V514 HydrophobicContact CB-CG1 3.97Å; K469-V514 HydrophobicContact CB-CG2 4.23Å; K469-V514 HydrophobicContact CG-CB 4.45Å; K469-V514 HydrophobicContact CG-CG1 4.35Å; K469-V514 HydrophobicContact CG-CG2 4.09Å; K469-Y543 HydrophobicContact CD-CD1 4.08Å; K469-Y543 HydrophobicContact CD-CE1 4.21Å; K469-Y543 HydrophobicContact CG-CD1 3.97Å; K469-Y543 HydrophobicContact CG-CD2 4.47Å; K469-Y543 HydrophobicContact CG-CE1 4.23Å; K469-Y543 HydrophobicContact CG-CG 4.11Å
470	L	95.9	Very high	94.3	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-38.7	171	-72.7	173.8	0	0	0	111.2	L466 D467 Q472 F473 L474 L479 L512 V514 V517	L466-L470 HydrophobicContact CB-CB 3.83Å; L466-L470 HydrophobicContact CD1-CB 4.36Å; L466-L470 HydrophobicContact CD2-CB 4.24Å; L466-L470 HydrophobicContact CD2-CD1 4.21Å; L466-L470 HydrophobicContact CG-CB 4.36Å; D467-L470 PolarHBondContact O-N 3.44Å; D467-L470 WeakPolarHBondContact OD1-CB 3.32Å; D467-L470 WeakPolarHBondContact OD1-CG 3.48Å; D467-L470 PolarHBondContact OD1-N 3.02Å; L470-Q472 VanDerWaalsContact C-N 3.31Å; L470-Q472 PolarHBondContact O-N 3.01Å; L470-F473 HydrophobicContact CD2-CD2 4.26Å; L470-F473 WeakPolarHBondContact O-CB 3.42Å; L470-F473 PolarHBondContact O-N 3.43Å; L470-F473 VanDerWaalsContact O-N 3.11Å; L470-L474 PolarHBondContact O-N 3.13Å; L470-L479 HydrophobicContact CB-CD1 4.29Å; L470-L479 HydrophobicContact CD2-CD1 3.86Å; L470-L512 HydrophobicContact CD1-CB 4.03Å; L470-L512 WeakPolarHBondContact CD1-O 3.42Å; L470-V514 HydrophobicContact CD1-CB 4.49Å; L470-V514 HydrophobicContact CD2-CB 4.15Å; L470-V514 HydrophobicContact CD2-CG2 4.02Å; L470-V514 HydrophobicContact CG-CB 3.82Å; L470-V514 HydrophobicContact CG-CG2 4.19Å; L470-V517 HydrophobicContact CD1-CB 4.16Å; L470-V517 HydrophobicContact CD1-CG2 3.85Å; L470-V517 HydrophobicContact CD2-CB 4.1Å; L470-V517 HydrophobicContact CD2-CG1 4.13Å
471	S	95.4	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-40.6	174	-60.3	0	0	0	0	111.5	C450 V451 L466 D467 K469 L474 R475	C450-S471 WeakPolarHBondContact CA-OG 3.4Å; V451-S471 PolarHBondContact N-OG 3.27Å; L466-S471 PolarHBondContact O-OG 3.3Å; D467-S471 VanDerWaalsContact O-CB 3.25Å; D467-S471 WeakPolarHBondContact O-CB 3.37Å; D467-S471 PolarHBondContact O-N 3.17Å; D467-S471 PolarHBondContact O-OG 3.39Å; K469-S471 VanDerWaalsContact C-N 3.28Å; K469-S471 PolarHBondContact O-N 3.2Å; S471-L474 PolarHBondContact O-N 3.18Å; S471-R475 WeakPolarHBondContact O-CG 3.39Å; S471-R475 PolarHBondContact O-N 3.45Å; S471-R475 VanDerWaalsContact O-N 3.09Å
472	Q	94.2	Very high	93.9	Very high	70 Å²	70	50.1 Å²	50.1	33%	0.327	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-39.5	172.5	-168.7	-175.8	20.4	0	0	112.3	V468 K469 L470 R475 R476	V468-Q472 PolarHBondContact O-N 3.14Å; K469-Q472 WeakPolarHBondContact O-CB 3.47Å; K469-Q472 PolarHBondContact O-N 3.35Å; L470-Q472 VanDerWaalsContact C-N 3.31Å; L470-Q472 PolarHBondContact O-N 3.01Å; Q472-R475 PolarHBondContact O-N 3.33Å; Q472-R476 WeakPolarHBondContact O-CB 3.38Å; Q472-R476 WeakPolarHBondContact O-CG 3.41Å; Q472-R476 PolarHBondContact O-N 3.43Å
473	F	95.6	Very high	93.8	Very high	34 Å²	34	50.3 Å²	50.3	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-39.8	176.7	-68.3	-15.6	0	0	0	112.7	K469 L470 R476 G477 L478 L479 V514 Y543	K469-F473 HydrophobicContact CD-CE1 4.47Å; K469-F473 HydrophobicContact CG-CE1 4.29Å; K469-F473 HydrophobicContact CG-CE2 4.36Å; K469-F473 HydrophobicContact CG-CZ 4.01Å; K469-F473 WeakPolarHBondContact O-CG 3.41Å; K469-F473 PolarHBondContact O-N 3.34Å; L470-F473 HydrophobicContact CD2-CD2 4.26Å; L470-F473 WeakPolarHBondContact O-CB 3.42Å; L470-F473 PolarHBondContact O-N 3.43Å; L470-F473 VanDerWaalsContact O-N 3.11Å; F473-R476 PolarHBondContact O-N 2.98Å; F473-G477 PolarHBondContact O-N 3.49Å; F473-L478 HydrophobicContact CB-CB 4.09Å; F473-L478 HydrophobicContact CD1-CD1 3.86Å; F473-L478 HydrophobicContact CE1-CD1 4.36Å; F473-L478 HydrophobicContact CG-CD1 4.34Å; F473-L478 WeakPolarHBondContact O-CB 3.35Å; F473-L478 PolarHBondContact O-N 3.29Å; F473-L479 HydrophobicContact CB-CD1 3.89Å; F473-L479 HydrophobicContact CB-CG 4.02Å; F473-L479 PolarHBondContact O-N 3.09Å; F473-V514 HydrophobicContact CD2-CG2 4.33Å; F473-V514 HydrophobicContact CE2-CG2 3.65Å; F473-V514 HydrophobicContact CZ-CG2 4.43Å; F473-Y543 HydrophobicContact CE2-CE2 4.43Å; F473-Y543 HydrophobicContact CZ-CE2 4.03Å; F473-Y543 AromaticContact CZ-CZ 3.8Å
474	L	94.6	Very high	93.8	Very high	24 Å²	24	50.6 Å²	50.6	13%	0.126	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-49.6	172.6	-169.5	87.9	0	0	0	111.2	L438 V441 V451 V453 L466 L470 S471 R476 G477 L479	L438-L474 HydrophobicContact CD1-CD1 4.07Å; V441-L474 HydrophobicContact CG1-CD2 4.04Å; V441-L474 HydrophobicContact CG2-CD1 4.3Å; V441-L474 HydrophobicContact CG2-CD2 4.26Å; V451-L474 HydrophobicContact CB-CD2 4.29Å; V451-L474 HydrophobicContact CG1-CD2 3.57Å; V453-L474 HydrophobicContact CG1-CD2 4.26Å; L466-L474 HydrophobicContact CD1-CB 4.3Å; L466-L474 HydrophobicContact CD1-CD2 4.38Å; L470-L474 PolarHBondContact O-N 3.13Å; S471-L474 PolarHBondContact O-N 3.18Å; L474-R476 VanDerWaalsContact C-N 3.26Å; L474-R476 PolarHBondContact O-N 2.89Å; L474-G477 PolarHBondContact O-N 3.47Å; L474-L479 HydrophobicContact CB-CB 4.24Å; L474-L479 HydrophobicContact CD1-CB 3.87Å
475	R	92.9	Very high	93.9	Very high	118 Å²	118	50.7 Å²	50.7	45%	0.445	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-32.4	178.4	-69.7	179.7	-168.8	129.4	10.7	113.5	A448 S471 Q472 G477	A448-R475 PolarHBondContact O-NH2 3.03Å; S471-R475 WeakPolarHBondContact O-CG 3.39Å; S471-R475 PolarHBondContact O-N 3.45Å; S471-R475 VanDerWaalsContact O-N 3.09Å; Q472-R475 PolarHBondContact O-N 3.33Å; R475-G477 PolarHBondContact O-N 2.88Å
476	R	94.3	Very high	93.9	Very high	170 Å²	170	51.3 Å²	51.3	64%	0.642	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.4	175.9	-76.2	-179.5	145.4	-164.2	-7.5	113.8	Q472 F473 L474 L478	Q472-R476 WeakPolarHBondContact O-CB 3.38Å; Q472-R476 WeakPolarHBondContact O-CG 3.41Å; Q472-R476 PolarHBondContact O-N 3.43Å; F473-R476 PolarHBondContact O-N 2.98Å; L474-R476 VanDerWaalsContact C-N 3.26Å; L474-R476 PolarHBondContact O-N 2.89Å; R476-L478 VanDerWaalsContact C-N 3.25Å; R476-L478 HydrophobicContact CB-CD1 4.42Å; R476-L478 HydrophobicContact CB-CG 4.21Å; R476-L478 PolarHBondContact O-N 3.4Å
477	G	91.8	Very high	93.9	Very high	46 Å²	46	51.2 Å²	51.2	47%	0.474	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	13.3	-175.8	0	0	0	0	0	114.4	F473 L474 R475	F473-G477 PolarHBondContact O-N 3.49Å; L474-G477 PolarHBondContact O-N 3.47Å; R475-G477 PolarHBondContact O-N 2.88Å
478	L	94.6	Very high	93.9	Very high	95 Å²	95	50.3 Å²	50.3	50%	0.497	25%	0.253	S	S	.	.	S	Bend	trans	-80.9	-21.4	173.8	-61.6	177.1	0	0	0	112.1	F473 R476 W480 Q483	F473-L478 HydrophobicContact CB-CB 4.09Å; F473-L478 HydrophobicContact CD1-CD1 3.86Å; F473-L478 HydrophobicContact CE1-CD1 4.36Å; F473-L478 HydrophobicContact CG-CD1 4.34Å; F473-L478 WeakPolarHBondContact O-CB 3.35Å; F473-L478 PolarHBondContact O-N 3.29Å; R476-L478 VanDerWaalsContact C-N 3.25Å; R476-L478 HydrophobicContact CB-CD1 4.42Å; R476-L478 HydrophobicContact CB-CG 4.21Å; R476-L478 PolarHBondContact O-N 3.4Å; L478-W480 WeakPolarHBondContact O-CZ3 3.41Å; L478-Q483 PolarHBondContact O-NE2 3.44Å
479	L	94.4	Very high	93.8	Very high	15 Å²	15	48 Å²	48	8%	0.079	25%	0.247	C	C	.	.	S	Bend	trans	-116	135.1	166.8	-64.5	169.5	0	0	0	109.5	L470 F473 L474 Q483 L485	L470-L479 HydrophobicContact CB-CD1 4.29Å; L470-L479 HydrophobicContact CD2-CD1 3.86Å; F473-L479 HydrophobicContact CB-CD1 3.89Å; F473-L479 HydrophobicContact CB-CG 4.02Å; F473-L479 PolarHBondContact O-N 3.09Å; L474-L479 HydrophobicContact CB-CB 4.24Å; L474-L479 HydrophobicContact CD1-CB 3.87Å; L479-Q483 VanDerWaalsContact CA-OE1 3.23Å; L479-L485 HydrophobicContact CD2-CD2 3.72Å
480	W	91.4	Very high	93.8	Very high	130 Å²	130	45.4 Å²	45.4	49%	0.492	24%	0.236	S	C	.	.			trans	-146.1	162	179.2	62.4	94	0	0	0	112.9	L478 Q483	L478-W480 WeakPolarHBondContact O-CZ3 3.41Å; W480-Q483 HydrophobicContact CD2-CB 4.3Å; W480-Q483 HydrophobicContact CD2-CG 4.46Å; W480-Q483 HydrophobicContact CG-CB 4.4Å; W480-Q483 HydrophobicContact CZ2-CG 4.14Å; W480-Q483 VanDerWaalsContact N-OE1 3.08Å; W480-Q483 WeakPolarHBondContact O-CB 3.42Å; W480-Q483 PolarHBondContact O-N 3.02Å
481	V	90.2	Very high	93.8	Very high	57 Å²	57	49.3 Å²	49.3	35%	0.345	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	134.7	176.9	176.4	0	0	0	0	110.4	L438 S439 V441	L438-V481 HydrophobicContact CD2-CB 4.2Å; L438-V481 HydrophobicContact CD2-CG2 3.62Å; L438-V481 CarbonylContact O-C 3.51Å; S439-V481 WeakPolarHBondContact O-CG1 3.41Å; V441-V481 HydrophobicContact CG2-CG2 4.02Å
482	G	86	Confident	93.7	Very high	51 Å²	51	51.8 Å²	51.8	53%	0.526	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-8.5	-174.4	0	0	0	0	0	114	C437 L438	C437-G482 VanDerWaalsContact SG-C 3.5Å; C437-G482 PolarHBondContact SG-O 3.06Å; L438-G482 PolarHBondContact O-N 3.43Å
483	Q	91.2	Very high	93.7	Very high	9 Å²	9	52.1 Å²	52.1	4%	0.042	27%	0.27	C	S	.	.			trans	-77.1	135.6	178.3	-163.6	178.5	11	0	0	111.3	C437 L438 L478 L479 W480 L485	C437-Q483 WeakPolarHBondContact CA-O 3.37Å; L438-Q483 PolarHBondContact N-O 3.26Å; L478-Q483 PolarHBondContact O-NE2 3.44Å; L479-Q483 VanDerWaalsContact CA-OE1 3.23Å; W480-Q483 HydrophobicContact CD2-CB 4.3Å; W480-Q483 HydrophobicContact CD2-CG 4.46Å; W480-Q483 HydrophobicContact CG-CB 4.4Å; W480-Q483 HydrophobicContact CZ2-CG 4.14Å; W480-Q483 VanDerWaalsContact N-OE1 3.08Å; W480-Q483 WeakPolarHBondContact O-CB 3.42Å; W480-Q483 PolarHBondContact O-N 3.02Å; Q483-L485 HydrophobicContact CG-CD2 4.41Å
484	K	95.6	Very high	93.4	Very high	44 Å²	44	51.8 Å²	51.8	19%	0.191	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.8	173.4	-64.3	-174.1	-180	172.4	0	110.9	V435 L436 C437 A520 W522 A524 L526	V435-K484 HydrophobicContact CG1-CB 4.26Å; L436-K484 CarbonylContact O-C 3.39Å; L436-K484 WeakPolarHBondContact O-CA 3.37Å; C437-K484 HydrophobicContact CB-CG 4.47Å; K484-A520 HydrophobicContact CB-CB 3.93Å; K484-A520 PolarHBondContact O-N 2.76Å; K484-W522 WeakPolarHBondContact CD-O 3.42Å; K484-W522 VanDerWaalsContact CE-O 3.32Å; K484-W522 WeakPolarHBondContact CE-O 3.43Å; K484-W522 PolarHBondContact NZ-O 3.21Å; K484-A524 PolarHBondContact NZ-O 2.97Å; K484-L526 HydrophobicContact CD-CD2 3.86Å; K484-L526 HydrophobicContact CG-CD2 4.01Å
485	L	97.3	Very high	92.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129	-178.4	-54.5	180	0	0	0	109.1	V435 L436 L438 L479 Q483 V487 V517 R518	V435-L485 CarbonylContact C-O 3.59Å; V435-L485 VanDerWaalsContact CA-O 3.27Å; V435-L485 WeakPolarHBondContact CA-O 3.45Å; L436-L485 PolarHBondContact N-O 3.14Å; L436-L485 PolarHBondContact O-N 3.07Å; L438-L485 HydrophobicContact CD1-CD1 4.48Å; L479-L485 HydrophobicContact CD2-CD2 3.72Å; Q483-L485 HydrophobicContact CG-CD2 4.41Å; L485-V487 HydrophobicContact CB-CG2 4.1Å; L485-V517 HydrophobicContact CB-CG1 4.28Å; L485-V517 HydrophobicContact CD1-CG1 4.32Å; L485-V517 HydrophobicContact CD2-CG1 4.36Å; L485-R518 CarbonylContact C-O 3.45Å; L485-R518 WeakPolarHBondContact CA-O 3.38Å
486	Y	96.3	Very high	92.3	Very high	38 Å²	38	53.2 Å²	53.2	15%	0.149	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.6	162	179.7	-91.5	0	0	0	107.7	P433 L434 V435 I488 V517 R518 Q529 P535 F537	P433-Y486 HydrophobicContact CB-CE2 4.01Å; P433-Y486 WeakPolarHBondContact CB-OH 3.35Å; L434-Y486 CarbonylContact O-C 3.51Å; L434-Y486 WeakPolarHBondContact O-CA 3.43Å; V435-Y486 HydrophobicContact CG2-CD2 4.03Å; Y486-I488 HydrophobicContact CE1-CB 4.11Å; Y486-I488 HydrophobicContact CE1-CD1 4.48Å; Y486-I488 HydrophobicContact CE1-CG2 4.23Å; Y486-V517 CarbonylContact O-C 3.58Å; Y486-V517 WeakPolarHBondContact O-CA 3.47Å; Y486-R518 PolarHBondContact N-O 2.87Å; Y486-R518 PolarHBondContact O-N 3.11Å; Y486-Q529 HydrophobicContact CD2-CG 4.35Å; Y486-Q529 HydrophobicContact CE2-CB 4.36Å; Y486-Q529 HydrophobicContact CE2-CG 4.16Å; Y486-P535 HydrophobicContact CE1-CG 3.94Å; Y486-P535 WeakPolarHBondContact OH-CG 3.49Å; Y486-F537 HydrophobicContact CE1-CZ 4.4Å
487	V	96.6	Very high	92	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.9	-174.7	178.9	0	0	0	0	108.6	P433 L434 L436 L485 A490 L512 G516 V517	P433-V487 CarbonylContact C-O 3.55Å; P433-V487 WeakPolarHBondContact CA-O 3.44Å; L434-V487 HydrophobicContact CB-CB 4.41Å; L434-V487 PolarHBondContact N-O 3.48Å; L434-V487 PolarHBondContact O-N 2.97Å; L436-V487 HydrophobicContact CD1-CG2 4.41Å; L485-V487 HydrophobicContact CB-CG2 4.1Å; V487-A490 HydrophobicContact CG1-CB 3.74Å; V487-L512 HydrophobicContact CB-CD2 4.49Å; V487-L512 HydrophobicContact CG1-CD2 3.45Å; V487-L512 VanDerWaalsContact CG1-CD2 3.45Å; V487-L512 HydrophobicContact CG2-CD2 4.2Å; V487-G516 CarbonylContact C-O 3.5Å; V487-G516 WeakPolarHBondContact CA-O 3.48Å; V487-V517 HydrophobicContact CG2-CG2 4.33Å
488	I	94.6	Very high	91.9	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	30%	0.301	C	S	.	.			trans	-146.3	144.7	175.2	-163.8	164.1	0	0	0	110.3	P433 Y486 A490 G516 F537 F550	P433-I488 HydrophobicContact CB-CD1 4.49Å; P433-I488 HydrophobicContact CG-CD1 3.74Å; P433-I488 HydrophobicContact CG-CG1 4.2Å; Y486-I488 HydrophobicContact CE1-CB 4.11Å; Y486-I488 HydrophobicContact CE1-CD1 4.48Å; Y486-I488 HydrophobicContact CE1-CG2 4.23Å; I488-A490 VanDerWaalsContact C-N 3.27Å; I488-A490 PolarHBondContact O-N 2.85Å; I488-G516 PolarHBondContact N-O 3.45Å; I488-G516 VanDerWaalsContact O-CA 3.28Å; I488-G516 WeakPolarHBondContact O-CA 3.28Å; I488-F537 HydrophobicContact CG2-CE2 4.43Å; I488-F550 HydrophobicContact CD1-CD1 3.47Å; I488-F550 VanDerWaalsContact CD1-CD1 3.47Å; I488-F550 HydrophobicContact CD1-CD2 3.56Å; I488-F550 HydrophobicContact CD1-CE1 3.35Å; I488-F550 HydrophobicContact CD1-CE2 3.45Å; I488-F550 VanDerWaalsContact CD1-CE2 3.45Å; I488-F550 HydrophobicContact CD1-CG 3.56Å; I488-F550 HydrophobicContact CD1-CZ 3.35Å; I488-F550 HydrophobicContact CG1-CD1 4.39Å; I488-F550 HydrophobicContact CG1-CD2 3.69Å; I488-F550 HydrophobicContact CG1-CE1 4.5Å; I488-F550 HydrophobicContact CG1-CE2 3.82Å; I488-F550 HydrophobicContact CG1-CG 4Å; I488-F550 HydrophobicContact CG1-CZ 4.23Å; I488-F550 HydrophobicContact CG2-CB 4.1Å; I488-F550 HydrophobicContact CG2-CG 4.24Å
489	G	92.5	Very high	91.7	Very high	37 Å²	37	49.2 Å²	49.2	38%	0.381	29%	0.286	S	S	.	.	S	Bend	trans	67.6	25.3	-179.6	0	0	0	0	0	114.1	A431	A431-G489 PolarHBondContact O-N 2.82Å
490	A	95.1	Very high	91.5	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.033	29%	0.294	C	S	.	.			trans	-71.8	149.2	174.7	0	0	0	0	0	111.3	A430 A431 V487 I488 L510 S511 L512	A430-A490 CarbonylContact C-O 3.59Å; A430-A490 VanDerWaalsContact C-O 3.26Å; A431-A490 WeakPolarHBondContact CA-O 3.36Å; A431-A490 PolarHBondContact N-O 3.12Å; V487-A490 HydrophobicContact CG1-CB 3.74Å; I488-A490 VanDerWaalsContact C-N 3.27Å; I488-A490 PolarHBondContact O-N 2.85Å; A490-L510 HydrophobicContact CB-CD1 3.62Å; A490-L510 HydrophobicContact CB-CD2 4.11Å; A490-L510 HydrophobicContact CB-CG 3.85Å; A490-S511 WeakPolarHBondContact CA-O 3.46Å; A490-L512 HydrophobicContact CB-CD2 3.92Å
491	M	94.5	Very high	91.5	Very high	86 Å²	86	45.7 Å²	45.7	42%	0.424	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.9	-179.9	-65.4	-175.6	-72	0	0	110.5	L510 S511	M491-L510 CarbonylContact O-C 3.31Å; M491-L510 WeakPolarHBondContact O-CA 3.41Å; M491-S511 PolarHBondContact N-O 3.09Å; M491-S511 PolarHBondContact O-N 3.18Å
492	L	94.9	Very high	91.2	Very high	52 Å²	52	46.7 Å²	46.7	27%	0.272	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	132.4	172.6	-173.1	65.7	0	0	0	109.1	I423 A430 M462 C495 V508	I423-L492 HydrophobicContact CG2-CD1 4.18Å; I423-L492 HydrophobicContact CG2-CD2 3.92Å; A430-L492 HydrophobicContact CB-CB 4.09Å; M462-L492 HydrophobicContact CE-CD1 3.73Å; L492-C495 HydrophobicContact CD2-CB 3.67Å; L492-C495 HydrophobicContact CG-CB 3.99Å; L492-V508 HydrophobicContact CD1-CG1 3.92Å
493	H	93.7	Very high	91.3	Very high	78 Å²	78	49.6 Å²	49.6	36%	0.361	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.2	175.6	-62.4	-70.6	0	0	0	110.3	C495 V508 R509 S511	H493-C495 VanDerWaalsContact C-N 3.31Å; H493-C495 PolarHBondContact O-N 3.31Å; H493-V508 VanDerWaalsContact O-CA 3.29Å; H493-V508 WeakPolarHBondContact O-CA 3.48Å; H493-R509 HydrophobicContact CB-CG 4.08Å; H493-R509 PolarHBondContact N-O 2.86Å; H493-R509 PolarHBondContact O-N 3.34Å; H493-S511 WeakPolarHBondContact NE2-CB 3.38Å
494	G	89.1	Confident	91	Very high	26 Å²	26	50.6 Å²	50.6	27%	0.268	29%	0.287	S	S	.	.	S	Bend	trans	78.7	7.6	172.1	0	0	0	0	0	115.4	V508	G494-V508 VanDerWaalsContact O-CG2 3.29Å; G494-V508 WeakPolarHBondContact O-CG2 3.1Å
495	C	84.5	Confident	90.6	Very high	21 Å²	21	51.6 Å²	51.6	14%	0.142	30%	0.298	C	S	.	.			trans	-114.7	90.1	176.9	-160.3	0	0	0	0	108.1	L492 H493 D497 V508	L492-C495 HydrophobicContact CD2-CB 3.67Å; L492-C495 HydrophobicContact CG-CB 3.99Å; H493-C495 VanDerWaalsContact C-N 3.31Å; H493-C495 PolarHBondContact O-N 3.31Å; C495-D497 PolarHBondContact SG-O 2.95Å; C495-V508 HydrophobicContact CB-CG1 4.01Å; C495-V508 HydrophobicContact CB-CG2 4.08Å
496	D	80.5	Confident	90.1	Very high	151 Å²	151	55 Å²	55	81%	0.807	33%	0.333	S	S	*	.			trans	-83.4	-34.9	178.7	-60	-36.6	0	0	0	110.9
497	D	86.7	Confident	89.7	Confident	134 Å²	134	57.6 Å²	57.6	72%	0.717	35%	0.35	S	S	*	.	S	Bend	trans	-115.9	154.6	177.2	-66.3	-44	0	0	0	112.1	C495 C499	C495-D497 PolarHBondContact SG-O 2.95Å; D497-C499 PolarHBondContact O-N 3.36Å
498	A	90.7	Very high	89.6	Confident	68 Å²	68	57.8 Å²	57.8	56%	0.562	35%	0.351	S	S	*	.			trans	-62.1	126.5	172.2	0	0	0	0	0	110.1	F424 C426	F424-A498 WeakPolarHBondContact O-CA 3.47Å; C426-A498 HydrophobicContact CB-CB 4.48Å
499	C	90.9	Very high	89.5	Confident	25 Å²	25	63.4 Å²	63.4	17%	0.169	37%	0.372	C	S	.	.			trans	-132.2	166.1	178.8	60	0	0	0	0	111.3	F424 N425 D497	F424-C499 CarbonylContact C-O 3.42Å; F424-C499 VanDerWaalsContact C-O 3.31Å; F424-C499 WeakPolarHBondContact CB-O 3.35Å; F424-C499 PolarHBondContact O-N 2.87Å; N425-C499 PolarHBondContact ND2-O 3.47Å; D497-C499 PolarHBondContact O-N 3.36Å
500	E	89.9	Confident	89.7	Confident	55 Å²	55	61.6 Å²	61.6	26%	0.257	35%	0.354	S	S	.	.			trans	-86.1	146.1	170.8	-71.4	-70.4	-169	0	0	110.5	R421 W502 D503 A504	R421-E500 IonicContact CZ-OE1 3.13Å; R421-E500 IonicContact CZ-OE2 3.45Å; R421-E500 IonicContact NE-OE1 3.48Å; R421-E500 IonicContact NE-OE2 3.82Å; R421-E500 PolarHBondContact NE-OE2 2.86Å; R421-E500 IonicContact NH2-OE1 3.68Å; R421-E500 PolarHBondContact NH2-OE1 3.21Å; R421-E500 IonicContact NH2-OE2 3.71Å; R421-E500 PolarHBondContact NH2-OE2 2.96Å; E500-W502 HydrophobicContact CB-CD2 4.04Å; E500-W502 HydrophobicContact CB-CE3 4.43Å; E500-W502 HydrophobicContact CB-CH2 4.08Å; E500-W502 HydrophobicContact CB-CZ2 3.61Å; E500-W502 HydrophobicContact CB-CZ3 4.44Å; E500-W502 HydrophobicContact CG-CH2 4.07Å; E500-W502 HydrophobicContact CG-CZ2 3.62Å; E500-W502 PolarHBondContact O-N 3.03Å; E500-W502 WeakPolarHBondContact OE2-CH2 3.47Å; E500-D503 CarbonylContact O-C 3.46Å; E500-D503 PolarHBondContact O-N 3.46Å; E500-A504 PolarHBondContact O-N 3.49Å; E500-A504 VanDerWaalsContact O-N 3.16Å
501	P	90.1	Very high	89.7	Confident	17 Å²	17	62.6 Å²	62.6	11%	0.11	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.6	-175	-26.2	33.2	0	0	0	115.2	R421 F424 Y460	R421-P501 HydrophobicContact CB-CG 3.99Å; R421-P501 HydrophobicContact CG-CG 3.91Å; F424-P501 HydrophobicContact CB-CG 4.28Å; F424-P501 HydrophobicContact CD2-CB 3.71Å; F424-P501 HydrophobicContact CD2-CG 3.74Å; F424-P501 HydrophobicContact CE2-CB 3.91Å; F424-P501 HydrophobicContact CE2-CG 4.43Å; F424-P501 HydrophobicContact CG-CB 4.41Å; F424-P501 HydrophobicContact CG-CG 4.28Å; Y460-P501 HydrophobicContact CD1-CB 3.63Å; Y460-P501 HydrophobicContact CD1-CG 3.98Å; Y460-P501 HydrophobicContact CD2-CG 4.15Å; Y460-P501 HydrophobicContact CE1-CB 4.11Å; Y460-P501 HydrophobicContact CE1-CG 4.17Å; Y460-P501 HydrophobicContact CE2-CG 4.32Å; Y460-P501 HydrophobicContact CG-CB 3.87Å; Y460-P501 HydrophobicContact CG-CG 3.96Å
502	W	85.7	Confident	89.9	Confident	77 Å²	77	58.6 Å²	58.6	29%	0.292	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-16.3	179.9	54.1	79.6	0	0	0	113.6	Y460 E500	Y460-W502 AromaticContact CE1-CE3 3.84Å; Y460-W502 HydrophobicContact CE1-CE3 3.84Å; Y460-W502 AromaticContact CE1-CZ3 3.88Å; Y460-W502 HydrophobicContact CE1-CZ3 3.88Å; Y460-W502 AromaticContact CZ-CZ3 3.91Å; Y460-W502 WeakPolarHBondContact OH-CZ3 3.48Å; E500-W502 HydrophobicContact CB-CD2 4.04Å; E500-W502 HydrophobicContact CB-CE3 4.43Å; E500-W502 HydrophobicContact CB-CH2 4.08Å; E500-W502 HydrophobicContact CB-CZ2 3.61Å; E500-W502 HydrophobicContact CB-CZ3 4.44Å; E500-W502 HydrophobicContact CG-CH2 4.07Å; E500-W502 HydrophobicContact CG-CZ2 3.62Å; E500-W502 PolarHBondContact O-N 3.03Å; E500-W502 WeakPolarHBondContact OE2-CH2 3.47Å
503	D	86.9	Confident	90	Very high	112 Å²	112	57.2 Å²	57.2	60%	0.599	34%	0.335	S	S	*	.	S	Bend	trans	-102.9	9	175.7	-62.6	-38.9	0	0	0	111.4	E500	E500-D503 CarbonylContact O-C 3.46Å; E500-D503 PolarHBondContact O-N 3.46Å
504	A	85.8	Confident	90.1	Very high	31 Å²	31	53.8 Å²	53.8	26%	0.256	32%	0.32	S	S	.	.			trans	-64	128.7	-175.1	0	0	0	0	0	112.3	F424 E500	F424-A504 HydrophobicContact CD1-CB 3.99Å; F424-A504 HydrophobicContact CE1-CB 3.32Å; F424-A504 HydrophobicContact CZ-CB 3.82Å; E500-A504 PolarHBondContact O-N 3.49Å; E500-A504 VanDerWaalsContact O-N 3.16Å
505	P	87.2	Confident	90.4	Very high	65 Å²	65	52.6 Å²	52.6	42%	0.422	31%	0.307	S	S	.	.			trans	-56.4	144.5	172.4	-26.9	34.9	0	0	0	112.7	N507 V508	P505-N507 WeakPolarHBondContact CB-OD1 3.4Å; P505-N507 PolarHBondContact O-N 3.47Å; P505-N507 VanDerWaalsContact O-N 3.09Å; P505-V508 HydrophobicContact CB-CG2 4.12Å; P505-V508 HydrophobicContact CG-CG2 4.29Å; P505-V508 WeakPolarHBondContact O-CB 3.37Å; P505-V508 WeakPolarHBondContact O-CG2 3.12Å; P505-V508 PolarHBondContact O-N 2.88Å
506	G	85.5	Confident	90.9	Very high	72 Å²	72	51.9 Å²	51.9	74%	0.742	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.5	-176.4	0	0	0	0	0	115.2
507	N	89.6	Confident	91.7	Very high	93 Å²	93	45.2 Å²	45.2	50%	0.497	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.4	174.7	64.2	-37.1	0	0	0	113.4	P505 R509	P505-N507 WeakPolarHBondContact CB-OD1 3.4Å; P505-N507 PolarHBondContact O-N 3.47Å; P505-N507 VanDerWaalsContact O-N 3.09Å; N507-R509 PolarHBondContact O-N 3.42Å
508	V	93	Very high	92.1	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.042	24%	0.244	C	C	.	.			trans	-66.9	122.6	177	-177.3	0	0	0	0	109.8	F424 L492 H493 G494 C495 P505	F424-V508 HydrophobicContact CD1-CG1 4.23Å; F424-V508 HydrophobicContact CE1-CB 4.19Å; F424-V508 HydrophobicContact CE1-CG1 3.57Å; F424-V508 HydrophobicContact CZ-CG1 4.39Å; L492-V508 HydrophobicContact CD1-CG1 3.92Å; H493-V508 VanDerWaalsContact O-CA 3.29Å; H493-V508 WeakPolarHBondContact O-CA 3.48Å; G494-V508 VanDerWaalsContact O-CG2 3.29Å; G494-V508 WeakPolarHBondContact O-CG2 3.1Å; C495-V508 HydrophobicContact CB-CG1 4.01Å; C495-V508 HydrophobicContact CB-CG2 4.08Å; P505-V508 HydrophobicContact CB-CG2 4.12Å; P505-V508 HydrophobicContact CG-CG2 4.29Å; P505-V508 WeakPolarHBondContact O-CB 3.37Å; P505-V508 WeakPolarHBondContact O-CG2 3.12Å; P505-V508 PolarHBondContact O-N 2.88Å
509	R	93.6	Very high	92.3	Very high	120 Å²	120	44.7 Å²	44.7	45%	0.453	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	146.9	-177.6	62.8	-162.3	-177.8	167.1	-3.8	112.9	N463 V465 H493 N507	N463-R509 HydrophobicContact CB-CB 4.19Å; N463-R509 CarbonylContact O-C 3.54Å; N463-R509 VanDerWaalsContact O-CA 3.31Å; N463-R509 WeakPolarHBondContact O-CA 3.38Å; V465-R509 HydrophobicContact CG2-CB 4.48Å; V465-R509 HydrophobicContact CG2-CG 4.25Å; H493-R509 HydrophobicContact CB-CG 4.08Å; H493-R509 PolarHBondContact N-O 2.86Å; H493-R509 PolarHBondContact O-N 3.34Å; N507-R509 PolarHBondContact O-N 3.42Å
510	L	96	Very high	92.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.6	171	-164.5	66.4	0	0	0	110	A430 L436 V455 M462 N463 A464 V465 A490 M491 L512	A430-L510 HydrophobicContact CB-CD1 3.67Å; L436-L510 HydrophobicContact CD1-CD2 3.98Å; V455-L510 HydrophobicContact CG2-CD2 4.45Å; M462-L510 HydrophobicContact CE-CB 3.82Å; M462-L510 HydrophobicContact CE-CD1 4.31Å; M462-L510 HydrophobicContact SD-CB 4.13Å; M462-L510 HydrophobicContact SD-CD2 4.12Å; N463-L510 PolarHBondContact O-N 3.49Å; A464-L510 CarbonylContact C-O 3.56Å; A464-L510 WeakPolarHBondContact CA-O 3.31Å; A464-L510 HydrophobicContact CB-CB 3.99Å; V465-L510 PolarHBondContact N-O 2.89Å; A490-L510 HydrophobicContact CB-CD1 3.62Å; A490-L510 HydrophobicContact CB-CD2 4.11Å; A490-L510 HydrophobicContact CB-CG 3.85Å; M491-L510 CarbonylContact O-C 3.31Å; M491-L510 WeakPolarHBondContact O-CA 3.41Å; L510-L512 HydrophobicContact CD2-CD2 3.58Å; L510-L512 HydrophobicContact CD2-CG 4.3Å; L510-L512 HydrophobicContact CG-CD2 3.94Å; L510-L512 HydrophobicContact CG-CG 4.48Å
511	S	96.2	Very high	92.4	Very high	25 Å²	25	49.8 Å²	49.8	18%	0.175	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.5	169.2	-178.5	0	0	0	0	109.5	A490 M491 H493	A490-S511 WeakPolarHBondContact CA-O 3.46Å; M491-S511 PolarHBondContact N-O 3.09Å; M491-S511 PolarHBondContact O-N 3.18Å; H493-S511 WeakPolarHBondContact NE2-CB 3.38Å
512	L	97.5	Very high	92.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.1	179.9	-62.8	-176.8	0	0	0	109.5	V455 A464 V465 L466 D467 L470 V487 A490 L510 V517	V455-L512 HydrophobicContact CG1-CD1 4.34Å; A464-L512 HydrophobicContact CB-CD1 3.79Å; A464-L512 HydrophobicContact CB-CG 4.06Å; V465-L512 PolarHBondContact O-N 3.16Å; L466-L512 HydrophobicContact CD2-CB 4.1Å; L466-L512 HydrophobicContact CD2-CD1 3.89Å; D467-L512 PolarHBondContact N-O 3.44Å; L470-L512 HydrophobicContact CD1-CB 4.03Å; L470-L512 WeakPolarHBondContact CD1-O 3.42Å; V487-L512 HydrophobicContact CB-CD2 4.49Å; V487-L512 HydrophobicContact CG1-CD2 3.45Å; V487-L512 VanDerWaalsContact CG1-CD2 3.45Å; V487-L512 HydrophobicContact CG2-CD2 4.2Å; A490-L512 HydrophobicContact CB-CD2 3.92Å; L510-L512 HydrophobicContact CD2-CD2 3.58Å; L510-L512 HydrophobicContact CD2-CG 4.3Å; L510-L512 HydrophobicContact CG-CD2 3.94Å; L510-L512 HydrophobicContact CG-CG 4.48Å; L512-V517 HydrophobicContact CB-CG2 4.12Å; L512-V517 HydrophobicContact CD2-CG2 4.43Å
513	S	96.2	Very high	92.1	Very high	24 Å²	24	50.8 Å²	50.8	17%	0.168	27%	0.266	C	S	.	.			trans	-110.2	142.8	177.4	-49.3	0	0	0	0	111.1	D467 N515 G516 V517 G546	D467-S513 WeakPolarHBondContact OD2-CA 3.43Å; S513-N515 PolarHBondContact O-N 3.48Å; S513-G516 CarbonylContact O-C 3.54Å; S513-G516 WeakPolarHBondContact O-CA 3.28Å; S513-G516 PolarHBondContact O-N 3.47Å; S513-V517 WeakPolarHBondContact O-CG2 3.37Å; S513-V517 PolarHBondContact O-N 3.08Å; S513-G546 VanDerWaalsContact CB-O 3.28Å; S513-G546 WeakPolarHBondContact CB-O 3.39Å
514	V	96.8	Very high	92.2	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.036	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-57.5	-35.5	-174	68.2	0	0	0	0	112.6	D467 K469 L470 F473 G516 V517 R518 Y543 G546	D467-V514 WeakPolarHBondContact OD2-CG1 3.37Å; D467-V514 PolarHBondContact OD2-N 3.18Å; K469-V514 HydrophobicContact CB-CB 4.07Å; K469-V514 HydrophobicContact CB-CG1 3.97Å; K469-V514 HydrophobicContact CB-CG2 4.23Å; K469-V514 HydrophobicContact CG-CB 4.45Å; K469-V514 HydrophobicContact CG-CG1 4.35Å; K469-V514 HydrophobicContact CG-CG2 4.09Å; L470-V514 HydrophobicContact CD1-CB 4.49Å; L470-V514 HydrophobicContact CD2-CB 4.15Å; L470-V514 HydrophobicContact CD2-CG2 4.02Å; L470-V514 HydrophobicContact CG-CB 3.82Å; L470-V514 HydrophobicContact CG-CG2 4.19Å; F473-V514 HydrophobicContact CD2-CG2 4.33Å; F473-V514 HydrophobicContact CE2-CG2 3.65Å; F473-V514 HydrophobicContact CZ-CG2 4.43Å; V514-G516 PolarHBondContact O-N 3.47Å; V514-V517 PolarHBondContact O-N 3.2Å; V514-R518 PolarHBondContact O-NH1 2.87Å; V514-Y543 HydrophobicContact CG1-CD2 3.91Å; V514-Y543 HydrophobicContact CG1-CG 4.06Å; V514-Y543 HydrophobicContact CG2-CD2 3.76Å; V514-Y543 HydrophobicContact CG2-CE2 4.11Å; V514-G546 VanDerWaalsContact CG1-CA 3.45Å
515	N	95.9	Very high	92.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-69.6	-24.9	178.1	-66.7	-22.4	0	0	0	112.5	S513 R518 L542 Y543 G546 G547 F548	S513-N515 PolarHBondContact O-N 3.48Å; N515-R518 PolarHBondContact O-NH1 3.32Å; N515-L542 HydrophobicContact CB-CD2 4.11Å; N515-L542 WeakPolarHBondContact OD1-CA 3.43Å; N515-Y543 PolarHBondContact ND2-O 2.97Å; N515-Y543 PolarHBondContact OD1-N 3.18Å; N515-Y543 PolarHBondContact OD1-O 3.46Å; N515-G546 WeakPolarHBondContact CB-O 3.38Å; N515-G546 PolarHBondContact N-O 3.17Å; N515-G546 PolarHBondContact ND2-O 2.68Å; N515-G547 PolarHBondContact ND2-O 3.36Å; N515-F548 WeakPolarHBondContact CB-O 3.44Å
516	G	95.3	Very high	92.9	Very high	6 Å²	6	50.9 Å²	50.9	6%	0.062	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-94.8	-0	177.3	0	0	0	0	0	114.9	V487 I488 S513 V514	V487-G516 CarbonylContact C-O 3.5Å; V487-G516 WeakPolarHBondContact CA-O 3.48Å; I488-G516 PolarHBondContact N-O 3.45Å; I488-G516 VanDerWaalsContact O-CA 3.28Å; I488-G516 WeakPolarHBondContact O-CA 3.28Å; S513-G516 CarbonylContact O-C 3.54Å; S513-G516 WeakPolarHBondContact O-CA 3.28Å; S513-G516 PolarHBondContact O-N 3.47Å; V514-G516 PolarHBondContact O-N 3.47Å
517	V	96.5	Very high	93.4	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.067	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.1	-178.1	176.9	0	0	0	0	110.8	L470 L485 Y486 V487 L512 S513 V514	L470-V517 HydrophobicContact CD1-CB 4.16Å; L470-V517 HydrophobicContact CD1-CG2 3.85Å; L470-V517 HydrophobicContact CD2-CB 4.1Å; L470-V517 HydrophobicContact CD2-CG1 4.13Å; L485-V517 HydrophobicContact CB-CG1 4.28Å; L485-V517 HydrophobicContact CD1-CG1 4.32Å; L485-V517 HydrophobicContact CD2-CG1 4.36Å; Y486-V517 CarbonylContact O-C 3.58Å; Y486-V517 WeakPolarHBondContact O-CA 3.47Å; V487-V517 HydrophobicContact CG2-CG2 4.33Å; L512-V517 HydrophobicContact CB-CG2 4.12Å; L512-V517 HydrophobicContact CD2-CG2 4.43Å; S513-V517 WeakPolarHBondContact O-CG2 3.37Å; S513-V517 PolarHBondContact O-N 3.08Å; V514-V517 PolarHBondContact O-N 3.2Å
518	R	95.3	Very high	93.7	Very high	56 Å²	56	48.1 Å²	48.1	21%	0.211	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.5	171.9	-64.6	-63.1	-177.7	-72.2	-1.4	110.1	L485 Y486 V514 N515 A520 F537 S541	L485-R518 CarbonylContact C-O 3.45Å; L485-R518 WeakPolarHBondContact CA-O 3.38Å; Y486-R518 PolarHBondContact N-O 2.87Å; Y486-R518 PolarHBondContact O-N 3.11Å; V514-R518 PolarHBondContact O-NH1 2.87Å; N515-R518 PolarHBondContact O-NH1 3.32Å; R518-A520 PolarHBondContact O-N 2.85Å; R518-F537 HydrophobicContact CG-CD1 4.43Å; R518-F537 HydrophobicContact CG-CE1 3.75Å; R518-F537 HydrophobicContact CG-CZ 4.22Å; R518-S541 PolarHBondContact NH2-OG 2.83Å
519	Q	95	Very high	93.7	Very high	136 Å²	136	50.2 Å²	50.2	64%	0.636	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	125.5	170.6	-174.6	177.6	11.5	0	0	109.6
520	A	93.2	Very high	93.4	Very high	14 Å²	14	48.4 Å²	48.4	12%	0.116	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-84.3	154.2	171.6	0	0	0	0	0	110.2	V435 K484 R518 A524	V435-A520 HydrophobicContact CG1-CB 3.87Å; V435-A520 HydrophobicContact CG2-CB 4.3Å; K484-A520 HydrophobicContact CB-CB 3.93Å; K484-A520 PolarHBondContact O-N 2.76Å; R518-A520 PolarHBondContact O-N 2.85Å; A520-A524 HydrophobicContact CB-CB 4.13Å
521	R	90.1	Very high	92.6	Very high	173 Å²	173	52.2 Å²	52.2	65%	0.653	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-58.5	142.5	170.2	-62.2	-169.8	177.5	171.8	-2.1	109.5	Y523 A524	R521-Y523 HydrophobicContact CB-CD1 4.37Å; R521-Y523 HydrophobicContact CB-CE1 4.12Å; R521-Y523 HydrophobicContact CB-CE2 4.31Å; R521-Y523 VanDerWaalsContact CD-CZ 3.42Å; R521-Y523 WeakPolarHBondContact CD-OH 3.21Å; R521-Y523 PolarHBondContact NH1-OH 3.18Å; R521-Y523 PolarHBondContact O-N 3.35Å; R521-Y523 VanDerWaalsContact O-N 3.11Å; R521-A524 WeakPolarHBondContact O-CB 3.43Å; R521-A524 PolarHBondContact O-N 3.31Å
522	W	83.8	Confident	91.9	Very high	60 Å²	60	62.1 Å²	62.1	23%	0.227	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34	-177.1	69.3	-102.5	0	0	0	113.5	L283 F287 R292 K484 A524	L283-W522 HydrophobicContact CD2-CE3 4.29Å; L283-W522 HydrophobicContact CD2-CH2 4.28Å; L283-W522 HydrophobicContact CD2-CZ3 3.51Å; L283-W522 HydrophobicContact CG-CH2 4.04Å; L283-W522 HydrophobicContact CG-CZ3 3.76Å; F287-W522 HydrophobicContact CB-CH2 4.05Å; F287-W522 HydrophobicContact CB-CZ2 4.13Å; F287-W522 AromaticContact CD2-CH2 3.62Å; F287-W522 HydrophobicContact CD2-CH2 3.62Å; F287-W522 HydrophobicContact CD2-CZ3 4.29Å; F287-W522 HydrophobicContact CG-CH2 4.1Å; R292-W522 VanDerWaalsContact CZ-CB 3.43Å; R292-W522 VanDerWaalsContact CZ-CD2 3.45Å; R292-W522 VanDerWaalsContact NH2-CB 3.31Å; K484-W522 WeakPolarHBondContact CD-O 3.42Å; K484-W522 VanDerWaalsContact CE-O 3.32Å; K484-W522 WeakPolarHBondContact CE-O 3.43Å; K484-W522 PolarHBondContact NZ-O 3.21Å; W522-A524 VanDerWaalsContact C-N 3.33Å
523	Y	84	Confident	91.1	Very high	54 Å²	54	69.2 Å²	69.2	21%	0.212	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.9	178.5	59.4	-101.3	0	0	0	113.7	R284 R521 K525	R284-Y523 HydrophobicContact CB-CD1 3.85Å; R284-Y523 HydrophobicContact CB-CD2 4.39Å; R284-Y523 HydrophobicContact CB-CE1 4.11Å; R284-Y523 HydrophobicContact CB-CG 3.98Å; R521-Y523 HydrophobicContact CB-CD1 4.37Å; R521-Y523 HydrophobicContact CB-CE1 4.12Å; R521-Y523 HydrophobicContact CB-CE2 4.31Å; R521-Y523 VanDerWaalsContact CD-CZ 3.42Å; R521-Y523 WeakPolarHBondContact CD-OH 3.21Å; R521-Y523 PolarHBondContact NH1-OH 3.18Å; R521-Y523 PolarHBondContact O-N 3.35Å; R521-Y523 VanDerWaalsContact O-N 3.11Å; Y523-K525 PolarHBondContact O-N 2.9Å
524	A	90.7	Very high	90.5	Very high	20 Å²	20	73 Å²	73	17%	0.165	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-59.6	137.5	178	0	0	0	0	0	110.3	V435 K484 A520 R521 W522	V435-A524 HydrophobicContact CG1-CB 4.02Å; V435-A524 HydrophobicContact CG2-CB 4.38Å; K484-A524 PolarHBondContact NZ-O 2.97Å; A520-A524 HydrophobicContact CB-CB 4.13Å; R521-A524 WeakPolarHBondContact O-CB 3.43Å; R521-A524 PolarHBondContact O-N 3.31Å; W522-A524 VanDerWaalsContact C-N 3.33Å
525	K	92.4	Very high	90	Very high	162 Å²	162	74.3 Å²	74.3	70%	0.704	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-72.3	127.5	177.4	-175.8	-178.8	177.7	-176.7	0	108.4	Y523 Q529	Y523-K525 PolarHBondContact O-N 2.9Å; K525-Q529 PolarHBondContact O-NE2 2.76Å
526	L	94.8	Very high	89.8	Confident	28 Å²	28	76.5 Å²	76.5	15%	0.147	36%	0.36	C	S	.	.	S	Bend	trans	-67.4	155.1	176.4	-60.2	180	0	0	0	111.7	V435 C437 D457 K484	V435-L526 HydrophobicContact CG1-CD2 3.9Å; V435-L526 CarbonylContact O-C 3.48Å; V435-L526 WeakPolarHBondContact O-CA 3.44Å; C437-L526 HydrophobicContact CB-CD1 4.32Å; C437-L526 HydrophobicContact CB-CD2 4.1Å; D457-L526 WeakPolarHBondContact O-CB 3.48Å; K484-L526 HydrophobicContact CD-CD2 3.86Å; K484-L526 HydrophobicContact CG-CD2 4.01Å
527	G	95.4	Very high	89.6	Confident	6 Å²	6	77.1 Å²	77.1	6%	0.062	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.2	-162.3	-178.7	0	0	0	0	0	113.7	V435 Q529	V435-G527 PolarHBondContact N-O 3.32Å; V435-G527 PolarHBondContact O-N 3.07Å; G527-Q529 PolarHBondContact O-N 3.07Å; G527-Q529 PolarHBondContact O-NE2 3.07Å
528	Q	95.3	Very high	89.4	Confident	101 Å²	101	79.6 Å²	79.6	47%	0.472	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	131.6	-177.4	-173	-175.7	0.3	0	0	112.3	A419 L428 V432 L434	A419-Q528 HydrophobicContact CB-CB 4.43Å; L428-Q528 HydrophobicContact CD2-CB 4.34Å; L428-Q528 HydrophobicContact CD2-CG 4.45Å; V432-Q528 HydrophobicContact CG2-CG 4.39Å; L434-Q528 HydrophobicContact CD2-CB 4.39Å
529	Q	94	Very high	89.1	Confident	52 Å²	52	77 Å²	77	24%	0.243	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-100	152.6	174.9	-55.4	-56.9	-62.2	0	0	111.7	P433 V435 Y486 K525 G527	P433-Q529 HydrophobicContact CB-CB 3.94Å; P433-Q529 PolarHBondContact O-N 3.48Å; V435-Q529 HydrophobicContact CB-CG 4.35Å; V435-Q529 VanDerWaalsContact CG2-CD 3.45Å; V435-Q529 HydrophobicContact CG2-CG 3.53Å; Y486-Q529 HydrophobicContact CD2-CG 4.35Å; Y486-Q529 HydrophobicContact CE2-CB 4.36Å; Y486-Q529 HydrophobicContact CE2-CG 4.16Å; K525-Q529 PolarHBondContact O-NE2 2.76Å; G527-Q529 PolarHBondContact O-N 3.07Å; G527-Q529 PolarHBondContact O-NE2 3.07Å
530	S	87.3	Confident	88.8	Confident	82 Å²	82	74.8 Å²	74.8	57%	0.573	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-73.2	136.3	175.2	-176.5	0	0	0	0	111.2	R532	S530-R532 VanDerWaalsContact C-N 3.27Å; S530-R532 PolarHBondContact O-N 3.06Å; S530-R532 WeakPolarHBondContact OG-CG 3.43Å; S530-R532 PolarHBondContact OG-N 2.88Å
531	L	78.9	Confident	88.7	Confident	80 Å²	80	76 Å²	76	42%	0.419	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	12.4	173.7	-81	169.4	0	0	0	113.9	P433 I533 K534 F550	P433-L531 HydrophobicContact CG-CD1 4.36Å; P433-L531 HydrophobicContact CG-CD2 3.31Å; P433-L531 HydrophobicContact CG-CG 3.7Å; L531-I533 PolarHBondContact O-N 3.12Å; L531-I533 VanDerWaalsContact O-N 3.12Å; L531-K534 HydrophobicContact CD2-CG 4.24Å; L531-F550 HydrophobicContact CD2-CZ 4.47Å
532	R	81.8	Confident	88.8	Confident	233 Å²	233	68.1 Å²	68.1	88%	0.879	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.6	179.4	-82	-179.3	-171.7	-175	3.1	112.5	S530	S530-R532 VanDerWaalsContact C-N 3.27Å; S530-R532 PolarHBondContact O-N 3.06Å; S530-R532 WeakPolarHBondContact OG-CG 3.43Å; S530-R532 PolarHBondContact OG-N 2.88Å
533	I	80.3	Confident	89.2	Confident	149 Å²	149	69.2 Å²	69.2	76%	0.764	36%	0.356	S	S	*	.	S	Bend	trans	-124.6	110.6	171.7	-56.1	175.7	0	0	0	107.1	L531	L531-I533 PolarHBondContact O-N 3.12Å; L531-I533 VanDerWaalsContact O-N 3.12Å
534	K	83.7	Confident	89.5	Confident	105 Å²	105	68.2 Å²	68.2	46%	0.457	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-76.3	123.4	176.4	-63	-178	-176.3	173.3	0	108.7	L531 V536 L551	L531-K534 HydrophobicContact CD2-CG 4.24Å; K534-V536 PolarHBondContact O-N 3.44Å; K534-L551 HydrophobicContact CB-CD2 3.64Å; K534-L551 HydrophobicContact CD-CD2 4.38Å
535	P	87.1	Confident	89.2	Confident	33 Å²	33	77.3 Å²	77.3	21%	0.214	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-68.4	129.9	177.1	28.9	-33.6	0	0	0	109.6	Y486 F537	Y486-P535 HydrophobicContact CE1-CG 3.94Å; Y486-P535 WeakPolarHBondContact OH-CG 3.49Å; P535-F537 HydrophobicContact CB-CE1 4.01Å; P535-F537 HydrophobicContact CB-CE2 4.29Å; P535-F537 HydrophobicContact CB-CZ 3.72Å; P535-F537 HydrophobicContact CG-CE2 4.13Å; P535-F537 HydrophobicContact CG-CZ 3.74Å
536	V	91.2	Very high	89.2	Confident	46 Å²	46	69.6 Å²	69.6	28%	0.279	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-97.6	132.6	170.4	-177.3	0	0	0	0	106.9	K534 L551 D553	K534-V536 PolarHBondContact O-N 3.44Å; V536-L551 HydrophobicContact CG2-CD2 3.84Å; V536-L551 HydrophobicContact CG2-CG 4.07Å; V536-D553 HydrophobicContact CG1-CB 3.97Å
537	F	91.3	Very high	89	Confident	19 Å²	19	69.4 Å²	69.4	8%	0.083	36%	0.357	C	S	.	.			trans	-109.1	134.7	-179.8	-58.4	-64.8	0	0	0	111.1	Y486 I488 R518 P535 L542 L551 T552	Y486-F537 HydrophobicContact CE1-CZ 4.4Å; I488-F537 HydrophobicContact CG2-CE2 4.43Å; R518-F537 HydrophobicContact CG-CD1 4.43Å; R518-F537 HydrophobicContact CG-CE1 3.75Å; R518-F537 HydrophobicContact CG-CZ 4.22Å; P535-F537 HydrophobicContact CB-CE1 4.01Å; P535-F537 HydrophobicContact CB-CE2 4.29Å; P535-F537 HydrophobicContact CB-CZ 3.72Å; P535-F537 HydrophobicContact CG-CE2 4.13Å; P535-F537 HydrophobicContact CG-CZ 3.74Å; F537-L542 HydrophobicContact CB-CD2 4.2Å; F537-L551 PolarHBondContact N-O 2.73Å; F537-T552 WeakPolarHBondContact O-CB 3.37Å; F537-T552 PolarHBondContact O-OG1 3.32Å
538	P	91.3	Very high	88.9	Confident	62 Å²	62	73.7 Å²	73.7	40%	0.403	37%	0.374	S	S	.	.			trans	-72.4	147	178.5	29.1	-33.9	0	0	0	111.3	A540 S541 D713	P538-A540 VanDerWaalsContact C-N 3.26Å; P538-A540 PolarHBondContact O-N 2.78Å; P538-S541 WeakPolarHBondContact O-CB 3.33Å; P538-S541 PolarHBondContact O-N 2.82Å; P538-S541 PolarHBondContact O-OG 2.88Å; P538-D713 WeakPolarHBondContact CA-OD2 3.33Å; P538-D713 WeakPolarHBondContact CB-OD2 3.26Å
539	L	90.8	Very high	88.8	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-60.4	-36.5	-175.4	-72.9	-173.2	0	0	0	112.7	S541 L542 T552 L554 D713 Y725 L764	L539-S541 PolarHBondContact O-N 3.4Å; L539-S541 VanDerWaalsContact O-N 3.14Å; L539-L542 HydrophobicContact CD2-CD1 3.76Å; L539-L542 WeakPolarHBondContact O-CB 3.36Å; L539-L542 PolarHBondContact O-N 3.01Å; L539-T552 HydrophobicContact CD2-CG2 4.11Å; L539-L554 HydrophobicContact CD1-CD2 3.59Å; L539-L554 HydrophobicContact CD2-CD2 3.95Å; L539-L554 HydrophobicContact CG-CD2 3.84Å; L539-D713 PolarHBondContact N-OD2 2.94Å; L539-Y725 HydrophobicContact CB-CD2 4.21Å; L539-Y725 HydrophobicContact CB-CE1 4.48Å; L539-Y725 HydrophobicContact CB-CE2 3.6Å; L539-Y725 HydrophobicContact CD1-CD1 4.42Å; L539-Y725 HydrophobicContact CD1-CD2 3.27Å; L539-Y725 HydrophobicContact CD1-CE2 3.57Å; L539-Y725 HydrophobicContact CD1-CG 3.75Å; L539-Y725 HydrophobicContact CG-CD2 4.38Å; L539-Y725 HydrophobicContact CG-CE2 4.26Å; L539-L764 HydrophobicContact CD1-CD1 4.05Å; L539-L764 HydrophobicContact CD2-CD1 3.9Å; L539-L764 HydrophobicContact CD2-CD2 4.26Å
540	A	87	Confident	88.8	Confident	90 Å²	90	68.7 Å²	68.7	74%	0.744	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-62	-20.2	177	0	0	0	0	0	113.7	P538	P538-A540 VanDerWaalsContact C-N 3.26Å; P538-A540 PolarHBondContact O-N 2.78Å
541	S	90.9	Very high	89.1	Confident	39 Å²	39	64.8 Å²	64.8	27%	0.273	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-87.5	-8.2	177	75.7	0	0	0	0	114.1	R518 P538 L539	R518-S541 PolarHBondContact NH2-OG 2.83Å; P538-S541 WeakPolarHBondContact O-CB 3.33Å; P538-S541 PolarHBondContact O-N 2.82Å; P538-S541 PolarHBondContact O-OG 2.88Å; L539-S541 PolarHBondContact O-N 3.4Å; L539-S541 VanDerWaalsContact O-N 3.14Å
542	L	92.3	Very high	89.8	Confident	9 Å²	9	61 Å²	61	5%	0.047	30%	0.303	C	S	.	.			trans	-95.4	152.8	-173.1	-57.9	171.6	0	0	0	110.5	N515 F537 L539 V549 M754	N515-L542 HydrophobicContact CB-CD2 4.11Å; N515-L542 WeakPolarHBondContact OD1-CA 3.43Å; F537-L542 HydrophobicContact CB-CD2 4.2Å; L539-L542 HydrophobicContact CD2-CD1 3.76Å; L539-L542 WeakPolarHBondContact O-CB 3.36Å; L539-L542 PolarHBondContact O-N 3.01Å; L542-V549 HydrophobicContact CD1-CB 4.19Å; L542-V549 HydrophobicContact CD1-CG1 3.42Å; L542-V549 VanDerWaalsContact CD1-CG1 3.42Å; L542-V549 HydrophobicContact CD1-CG2 3.72Å; L542-V549 HydrophobicContact CD2-CG1 4.27Å; L542-V549 HydrophobicContact CD2-CG2 4.43Å; L542-M754 HydrophobicContact CB-CE 4.36Å; L542-M754 HydrophobicContact CB-SD 3.57Å; L542-M754 VanDerWaalsContact CB-SD 3.57Å; L542-M754 WeakPolarHBondContact O-CE 3.49Å
543	Y	92.1	Very high	90.5	Very high	83 Å²	83	50 Å²	50	33%	0.325	26%	0.262	S	S	.	.			trans	-116.5	135	179.6	-67.8	-89.7	0	0	0	110.7	K469 F473 V514 N515 G546	K469-Y543 HydrophobicContact CD-CD1 4.08Å; K469-Y543 HydrophobicContact CD-CE1 4.21Å; K469-Y543 HydrophobicContact CG-CD1 3.97Å; K469-Y543 HydrophobicContact CG-CD2 4.47Å; K469-Y543 HydrophobicContact CG-CE1 4.23Å; K469-Y543 HydrophobicContact CG-CG 4.11Å; F473-Y543 HydrophobicContact CE2-CE2 4.43Å; F473-Y543 HydrophobicContact CZ-CE2 4.03Å; F473-Y543 AromaticContact CZ-CZ 3.8Å; V514-Y543 HydrophobicContact CG1-CD2 3.91Å; V514-Y543 HydrophobicContact CG1-CG 4.06Å; V514-Y543 HydrophobicContact CG2-CD2 3.76Å; V514-Y543 HydrophobicContact CG2-CE2 4.11Å; N515-Y543 PolarHBondContact ND2-O 2.97Å; N515-Y543 PolarHBondContact OD1-N 3.18Å; N515-Y543 PolarHBondContact OD1-O 3.46Å; Y543-G546 PolarHBondContact O-N 3.43Å; Y543-G546 VanDerWaalsContact O-N 3.11Å
544	P	90.4	Very high	91.2	Very high	32 Å²	32	43 Å²	43	21%	0.208	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	144.6	169.4	14.7	-8.2	0	0	0	110	G546 M754 H756	P544-G546 PolarHBondContact O-N 2.94Å; P544-G546 VanDerWaalsContact O-N 3.15Å; P544-M754 HydrophobicContact CB-CE 4.3Å; P544-M754 HydrophobicContact CB-CG 4.17Å; P544-M754 VanDerWaalsContact CD-CE 3.44Å; P544-M754 HydrophobicContact CG-CE 3.95Å; P544-H756 VanDerWaalsContact CG-CD2 3.41Å; P544-H756 WeakPolarHBondContact CG-CD2 3.35Å; P544-H756 WeakPolarHBondContact CG-CE1 3.34Å; P544-H756 WeakPolarHBondContact CG-NE2 3.36Å
545	R	86.1	Confident	91.8	Very high	211 Å²	211	38 Å²	38	80%	0.796	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	12.2	-169	-56.8	-178	168	120.6	-2.5	114.5	G547 M754	R545-G547 VanDerWaalsContact C-N 3.3Å; R545-G547 PolarHBondContact O-N 2.99Å; R545-M754 PolarHBondContact N-O 2.88Å
546	G	90.5	Very high	92.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	20%	0.195	C	C	.	.	S	Bend	trans	-88.4	27.4	-179.5	0	0	0	0	0	115.7	S513 V514 N515 Y543 P544	S513-G546 VanDerWaalsContact CB-O 3.28Å; S513-G546 WeakPolarHBondContact CB-O 3.39Å; V514-G546 VanDerWaalsContact CG1-CA 3.45Å; N515-G546 WeakPolarHBondContact CB-O 3.38Å; N515-G546 PolarHBondContact N-O 3.17Å; N515-G546 PolarHBondContact ND2-O 2.68Å; Y543-G546 PolarHBondContact O-N 3.43Å; Y543-G546 VanDerWaalsContact O-N 3.11Å; P544-G546 PolarHBondContact O-N 2.94Å; P544-G546 VanDerWaalsContact O-N 3.15Å
547	G	91.5	Very high	92.4	Very high	24 Å²	24	35 Å²	35	25%	0.247	18%	0.184	C	C	.	.			trans	76.4	-166.8	-171.2	0	0	0	0	0	114	N515 R545	N515-G547 PolarHBondContact ND2-O 3.36Å; R545-G547 VanDerWaalsContact C-N 3.3Å; R545-G547 PolarHBondContact O-N 2.99Å
548	F	92.7	Very high	92.6	Very high	95 Å²	95	35.2 Å²	35.2	42%	0.417	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	143.9	-178.5	-64	-74	0	0	0	112.3	N515 N751 L752 K753 T767	N515-F548 WeakPolarHBondContact CB-O 3.44Å; F548-N751 WeakPolarHBondContact CD1-OD1 3.49Å; F548-N751 WeakPolarHBondContact CG-OD1 3.46Å; F548-L752 CarbonylContact C-O 3.52Å; F548-L752 WeakPolarHBondContact CA-O 3.32Å; F548-K753 HydrophobicContact CD1-CB 4.49Å; F548-T767 HydrophobicContact CD1-CG2 4.11Å; F548-T767 HydrophobicContact CE1-CG2 3.76Å
549	V	94	Very high	92.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.6	167.7	-178.7	0	0	0	0	107.3	L542 T552 N751 L752 M754	L542-V549 HydrophobicContact CD1-CB 4.19Å; L542-V549 HydrophobicContact CD1-CG1 3.42Å; L542-V549 VanDerWaalsContact CD1-CG1 3.42Å; L542-V549 HydrophobicContact CD1-CG2 3.72Å; L542-V549 HydrophobicContact CD2-CG1 4.27Å; L542-V549 HydrophobicContact CD2-CG2 4.43Å; V549-T552 HydrophobicContact CG1-CG2 4.07Å; V549-N751 CarbonylContact O-C 3.59Å; V549-N751 WeakPolarHBondContact O-CA 3.43Å; V549-N751 PolarHBondContact O-N 3.13Å; V549-N751 VanDerWaalsContact O-N 3.09Å; V549-L752 HydrophobicContact CB-CB 4.1Å; V549-L752 HydrophobicContact CG2-CB 4.47Å; V549-L752 PolarHBondContact N-O 3.2Å; V549-L752 PolarHBondContact O-N 3.36Å; V549-M754 HydrophobicContact CG2-CB 4.28Å
550	F	92.8	Very high	93	Very high	48 Å²	48	34.6 Å²	34.6	21%	0.211	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-51.7	-175.4	176.8	-102.6	0	0	0	112.6	I488 L531 H750 N751	I488-F550 HydrophobicContact CD1-CD1 3.47Å; I488-F550 VanDerWaalsContact CD1-CD1 3.47Å; I488-F550 HydrophobicContact CD1-CD2 3.56Å; I488-F550 HydrophobicContact CD1-CE1 3.35Å; I488-F550 HydrophobicContact CD1-CE2 3.45Å; I488-F550 VanDerWaalsContact CD1-CE2 3.45Å; I488-F550 HydrophobicContact CD1-CG 3.56Å; I488-F550 HydrophobicContact CD1-CZ 3.35Å; I488-F550 HydrophobicContact CG1-CD1 4.39Å; I488-F550 HydrophobicContact CG1-CD2 3.69Å; I488-F550 HydrophobicContact CG1-CE1 4.5Å; I488-F550 HydrophobicContact CG1-CE2 3.82Å; I488-F550 HydrophobicContact CG1-CG 4Å; I488-F550 HydrophobicContact CG1-CZ 4.23Å; I488-F550 HydrophobicContact CG2-CB 4.1Å; I488-F550 HydrophobicContact CG2-CG 4.24Å; L531-F550 HydrophobicContact CD2-CZ 4.47Å; F550-H750 WeakPolarHBondContact O-CA 3.38Å; F550-N751 PolarHBondContact O-N 3.44Å; F550-N751 VanDerWaalsContact O-N 3.1Å
551	L	94	Very high	93.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	130.1	-176.8	-172.8	57.4	0	0	0	110.6	K534 V536 F537 R748 V749 H750	K534-L551 HydrophobicContact CB-CD2 3.64Å; K534-L551 HydrophobicContact CD-CD2 4.38Å; V536-L551 HydrophobicContact CG2-CD2 3.84Å; V536-L551 HydrophobicContact CG2-CG 4.07Å; F537-L551 PolarHBondContact N-O 2.73Å; L551-R748 HydrophobicContact CD1-CG 3.31Å; L551-R748 HydrophobicContact CG-CG 4.2Å; L551-V749 WeakPolarHBondContact CA-O 3.36Å; L551-V749 WeakPolarHBondContact CD1-O 3.31Å; L551-H750 WeakPolarHBondContact CD1-CE1 3.31Å; L551-H750 WeakPolarHBondContact CD1-ND1 3.3Å; L551-H750 WeakPolarHBondContact CD1-NE2 3.47Å
552	T	95.1	Very high	93.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	150.9	175.4	-168	0	0	0	0	109.6	F537 L539 V549 L554 V749 L752	F537-T552 WeakPolarHBondContact O-CB 3.37Å; F537-T552 PolarHBondContact O-OG1 3.32Å; L539-T552 HydrophobicContact CD2-CG2 4.11Å; V549-T552 HydrophobicContact CG1-CG2 4.07Å; T552-L554 HydrophobicContact CG2-CD1 4.32Å; T552-L554 HydrophobicContact CG2-CD2 3.73Å; T552-L554 HydrophobicContact CG2-CG 3.93Å; T552-V749 PolarHBondContact N-O 3.32Å; T552-V749 PolarHBondContact O-N 3.26Å; T552-L752 HydrophobicContact CG2-CD1 4.06Å
553	D	95.2	Very high	93.6	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.4	177	-68	-14.2	0	0	0	108.2	V536 C714 H715 Y747 R748 L775	V536-D553 HydrophobicContact CG1-CB 3.97Å; D553-C714 WeakPolarHBondContact CB-SG 3.41Å; D553-C714 PolarHBondContact O-N 3.06Å; D553-H715 IonicContact OD2-CD2 2.73Å; D553-H715 IonicContact OD2-NE2 2.83Å; D553-H715 PolarHBondContact OD2-NE2 3.36Å; D553-H715 VanDerWaalsContact OD2-NE2 3.16Å; D553-Y747 WeakPolarHBondContact CA-O 3.39Å; D553-R748 WeakPolarHBondContact OD1-CA 3.46Å; D553-R748 WeakPolarHBondContact OD1-CB 3.4Å; D553-R748 WeakPolarHBondContact OD1-CG 3.33Å; D553-R748 IonicContact OD1-CZ 3.82Å; D553-R748 IonicContact OD1-NE 3.94Å; D553-R748 PolarHBondContact OD1-NE 3.03Å; D553-R748 IonicContact OD1-NH2 3.16Å; D553-R748 PolarHBondContact OD1-NH2 3.14Å; D553-R748 IonicContact OD2-CZ 2.81Å; D553-R748 IonicContact OD2-NE 3.96Å; D553-R748 IonicContact OD2-NH2 3.95Å; D553-R748 PolarHBondContact OD2-NH2 2.92Å; D553-L775 HydrophobicContact CB-CD1 3.78Å
554	L	95.6	Very high	93.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136	-170.3	-58.8	-175.3	0	0	0	110.9	L539 T552 V711 S712 L727 A746 Y747 V749 L752 L764	L539-L554 HydrophobicContact CD1-CD2 3.59Å; L539-L554 HydrophobicContact CD2-CD2 3.95Å; L539-L554 HydrophobicContact CG-CD2 3.84Å; T552-L554 HydrophobicContact CG2-CD1 4.32Å; T552-L554 HydrophobicContact CG2-CD2 3.73Å; T552-L554 HydrophobicContact CG2-CG 3.93Å; L554-V711 HydrophobicContact CB-CB 4.39Å; L554-V711 HydrophobicContact CD1-CG2 4.22Å; L554-S712 CarbonylContact C-O 3.5Å; L554-S712 VanDerWaalsContact CA-O 3.31Å; L554-S712 WeakPolarHBondContact CA-O 3.41Å; L554-L727 HydrophobicContact CD1-CD2 4.1Å; L554-A746 CarbonylContact O-C 3.52Å; L554-A746 WeakPolarHBondContact O-CA 3.47Å; L554-Y747 PolarHBondContact N-O 3.04Å; L554-Y747 PolarHBondContact O-N 3.32Å; L554-V749 HydrophobicContact CD1-CB 4.24Å; L554-V749 HydrophobicContact CD1-CG2 3.8Å; L554-V749 HydrophobicContact CG-CG2 4.15Å; L554-L752 HydrophobicContact CD1-CD1 4.06Å; L554-L764 HydrophobicContact CD1-CD1 4.22Å; L554-L764 HydrophobicContact CD2-CD1 4.45Å
555	L	95.4	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.8	167	-176.9	68	0	0	0	109.4	V711 S712 C714 A746 Y780 A782 A785 F787	L555-V711 WeakPolarHBondContact O-CA 3.5Å; L555-S712 PolarHBondContact N-O 2.9Å; L555-S712 PolarHBondContact O-N 3.48Å; L555-C714 HydrophobicContact CB-CB 4.06Å; L555-A746 HydrophobicContact CD1-CB 4.18Å; L555-Y780 HydrophobicContact CD1-CD2 4.15Å; L555-Y780 HydrophobicContact CD1-CE2 3.99Å; L555-A782 HydrophobicContact CD1-CB 4.16Å; L555-A785 HydrophobicContact CD2-CB 3.54Å; L555-F787 HydrophobicContact CD2-CB 3.94Å
556	I	96.4	Very high	93.8	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.031	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115	176.6	-59.5	-177.2	0	0	0	109.3	I559 L709 V711 L741 G744 K745 Y747	I556-I559 HydrophobicContact CG2-CD1 4.45Å; I556-I559 HydrophobicContact CG2-CG1 3.79Å; I556-L709 HydrophobicContact CD1-CD1 4.42Å; I556-V711 HydrophobicContact CG1-CG1 4.27Å; I556-L741 HydrophobicContact CD1-CB 4.2Å; I556-L741 HydrophobicContact CD1-CD2 4.18Å; I556-G744 PolarHBondContact O-N 3.45Å; I556-K745 PolarHBondContact N-O 2.83Å; I556-Y747 HydrophobicContact CD1-CD2 3.48Å; I556-Y747 VanDerWaalsContact CD1-CD2 3.48Å; I556-Y747 HydrophobicContact CD1-CE2 3.4Å; I556-Y747 HydrophobicContact CD1-CG 4.46Å; I556-Y747 HydrophobicContact CG1-CD2 3.8Å; I556-Y747 HydrophobicContact CG1-CE2 4Å
557	H	94.4	Very high	93.4	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.046	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-47	174.8	-72.4	-65.4	0	0	0	112	R710 S712 D724 F787	H557-R710 HydrophobicContact CB-CB 4.39Å; H557-R710 HydrophobicContact CB-CG 4.34Å; H557-R710 PolarHBondContact N-O 3.3Å; H557-S712 PolarHBondContact CD2-OG 2.96Å; H557-S712 VanDerWaalsContact NE2-CB 3.33Å; H557-S712 WeakPolarHBondContact NE2-CB 3.25Å; H557-S712 PolarHBondContact NE2-OG 3.5Å; H557-D724 IonicContact CD2-OD1 3.94Å; H557-D724 IonicContact NE2-OD1 3.85Å; H557-F787 AromaticContact ND1-CD2 3.8Å
558	R	95.4	Very high	92.5	Very high	23 Å²	23	27.6 Å²	27.6	9%	0.087	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	138.1	-178	-58.9	-69.5	176.8	-102.7	5	110.7	Y560 L709 R710 E743 M788	R558-Y560 HydrophobicContact CB-CE1 4.09Å; R558-Y560 HydrophobicContact CB-CE2 4.09Å; R558-L709 CarbonylContact O-C 3.51Å; R558-L709 WeakPolarHBondContact O-CA 3.47Å; R558-R710 HydrophobicContact CB-CB 3.89Å; R558-R710 HydrophobicContact CG-CB 4.33Å; R558-R710 PolarHBondContact N-O 3.18Å; R558-R710 PolarHBondContact O-N 2.98Å; R558-E743 WeakPolarHBondContact CA-OE1 3.37Å; R558-M788 PolarHBondContact NH1-O 3.22Å; R558-M788 PolarHBondContact NH2-O 3.33Å
559	I	96	Very high	91.3	Very high	47 Å²	47	31.7 Å²	31.7	24%	0.241	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.3	165.8	-56.8	177	0	0	0	106.8	I556 L707 L709 L741 E743 R790	I556-I559 HydrophobicContact CG2-CD1 4.45Å; I556-I559 HydrophobicContact CG2-CG1 3.79Å; I559-L707 HydrophobicContact CG2-CD1 4.29Å; I559-L709 HydrophobicContact CB-CD2 3.93Å; I559-L709 HydrophobicContact CG1-CD2 3.68Å; I559-L709 HydrophobicContact CG2-CD2 3.76Å; I559-L741 HydrophobicContact CD1-CB 4.25Å; I559-L741 VanDerWaalsContact CD1-O 3.31Å; I559-L741 WeakPolarHBondContact CD1-O 3.45Å; I559-E743 HydrophobicContact CB-CG 4.28Å; I559-E743 HydrophobicContact CD1-CG 4.13Å; I559-E743 HydrophobicContact CG1-CG 3.77Å; I559-E743 PolarHBondContact N-OE1 3.02Å; I559-R790 PolarHBondContact O-NH2 3.32Å
560	Y	95.5	Very high	90.1	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.016	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-93.1	158.3	-179.8	-61.1	-72.1	0	0	0	111.7	R558 L707 K708 R710 I726 E809 N865 L884	R558-Y560 HydrophobicContact CB-CE1 4.09Å; R558-Y560 HydrophobicContact CB-CE2 4.09Å; Y560-L707 WeakPolarHBondContact O-CD1 3.38Å; Y560-K708 WeakPolarHBondContact CB-O 3.44Å; Y560-K708 HydrophobicContact CD2-CB 4.07Å; Y560-K708 WeakPolarHBondContact CD2-O 3.36Å; Y560-K708 PolarHBondContact N-O 3.05Å; Y560-R710 HydrophobicContact CE2-CB 3.82Å; Y560-R710 PolarHBondContact OH-NE 3.37Å; Y560-I726 HydrophobicContact CE2-CD1 4.24Å; Y560-E809 WeakPolarHBondContact CE1-OE2 3.38Å; Y560-E809 PolarHBondContact OH-OE1 2.87Å; Y560-E809 PolarHBondContact OH-OE2 2.8Å; Y560-N865 HydrophobicContact CD1-CB 4.2Å; Y560-N865 WeakPolarHBondContact CD1-ND2 3.38Å; Y560-N865 HydrophobicContact CE1-CB 4.1Å; Y560-L884 HydrophobicContact CD1-CB 3.85Å; Y560-L884 HydrophobicContact CD1-CD1 4.09Å; Y560-L884 HydrophobicContact CD1-CG 4.39Å; Y560-L884 HydrophobicContact CD2-CD1 3.94Å; Y560-L884 HydrophobicContact CD2-CD2 4.41Å; Y560-L884 HydrophobicContact CE1-CB 4.39Å; Y560-L884 HydrophobicContact CE1-CD1 4.22Å; Y560-L884 HydrophobicContact CE2-CD1 4.05Å; Y560-L884 HydrophobicContact CG-CB 4.18Å; Y560-L884 HydrophobicContact CG-CD1 3.97Å; Y560-L884 HydrophobicContact CG-CD2 4.02Å; Y560-L884 HydrophobicContact CG-CG 4.28Å
561	P	93.9	Very high	89	Confident	34 Å²	34	42.1 Å²	42.1	22%	0.221	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-54.3	148.2	167.4	-23.7	33.9	0	0	0	111.9	L884	P561-L884 WeakPolarHBondContact CD-O 3.46Å
562	P	93.9	Very high	88	Confident	16 Å²	16	47.9 Å²	47.9	10%	0.104	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-64.3	139.6	177.9	28.2	-34.6	0	0	0	111	F564 V734	P562-F564 HydrophobicContact CB-CE2 4.36Å; P562-F564 HydrophobicContact CG-CE2 4.39Å; P562-V734 HydrophobicContact CB-CG2 4.05Å; P562-V734 HydrophobicContact CG-CG2 4.22Å
563	V	94.3	Very high	87.1	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	151.2	171.7	-60.8	0	0	0	0	110	L575 R576 P705 I706 K708 L883 L884	V563-L575 HydrophobicContact CG2-CD2 4.3Å; V563-R576 WeakPolarHBondContact CA-O 3.35Å; V563-P705 CarbonylContact O-C 3.58Å; V563-I706 HydrophobicContact CG2-CB 3.95Å; V563-I706 PolarHBondContact N-O 3.31Å; V563-I706 PolarHBondContact O-N 3.39Å; V563-K708 HydrophobicContact CG2-CD 3.89Å; V563-K708 HydrophobicContact CG2-CG 4.36Å; V563-L883 HydrophobicContact CG1-CB 4.34Å; V563-L884 HydrophobicContact CG1-CD2 4.07Å
564	F	93.5	Very high	86.7	Confident	41 Å²	41	53.8 Å²	53.8	18%	0.18	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.3	-173.7	-65.6	-95.3	0	0	0	110	P562 L575 R576 E578 Q581 V703 P705	P562-F564 HydrophobicContact CB-CE2 4.36Å; P562-F564 HydrophobicContact CG-CE2 4.39Å; F564-L575 CarbonylContact O-C 3.54Å; F564-L575 WeakPolarHBondContact O-CA 3.49Å; F564-R576 PolarHBondContact N-O 2.7Å; F564-R576 PolarHBondContact O-N 3.23Å; F564-E578 HydrophobicContact CE2-CB 4.27Å; F564-E578 HydrophobicContact CE2-CG 4.44Å; F564-Q581 HydrophobicContact CB-CB 4.05Å; F564-Q581 HydrophobicContact CB-CG 3.9Å; F564-Q581 HydrophobicContact CD1-CB 4.46Å; F564-Q581 HydrophobicContact CD1-CG 3.72Å; F564-Q581 HydrophobicContact CD2-CB 3.64Å; F564-Q581 HydrophobicContact CD2-CG 3.82Å; F564-Q581 HydrophobicContact CE1-CG 4.14Å; F564-Q581 HydrophobicContact CE2-CB 4.18Å; F564-Q581 HydrophobicContact CE2-CG 4.26Å; F564-Q581 HydrophobicContact CG-CB 3.8Å; F564-Q581 HydrophobicContact CG-CG 3.53Å; F564-Q581 HydrophobicContact CZ-CG 4.4Å; F564-V703 HydrophobicContact CB-CG1 3.81Å; F564-V703 HydrophobicContact CD1-CG1 4.01Å; F564-V703 HydrophobicContact CG-CG1 4.38Å; F564-P705 HydrophobicContact CD1-CB 3.9Å; F564-P705 HydrophobicContact CE1-CB 3.73Å; F564-P705 HydrophobicContact CZ-CB 4.46Å
565	L	91.3	Very high	86.4	Confident	20 Å²	20	56.3 Å²	56.3	11%	0.105	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	110.5	176.1	178.6	67	0	0	0	109.7	R567 N574 L575 V703 V704 I706 W730	L565-R567 HydrophobicContact CD2-CG 4.35Å; L565-R567 HydrophobicContact CG-CG 4.25Å; L565-N574 WeakPolarHBondContact CA-O 3.42Å; L565-L575 HydrophobicContact CB-CD2 3.89Å; L565-L575 HydrophobicContact CD1-CD2 3.88Å; L565-L575 HydrophobicContact CD1-CG 4.1Å; L565-L575 HydrophobicContact CG-CD2 4.48Å; L565-V703 CarbonylContact O-C 3.53Å; L565-V703 WeakPolarHBondContact O-CA 3.46Å; L565-V704 PolarHBondContact N-O 3.47Å; L565-V704 PolarHBondContact O-N 2.98Å; L565-I706 HydrophobicContact CB-CD1 3.92Å; L565-W730 HydrophobicContact CD2-CH2 4.26Å; L565-W730 HydrophobicContact CD2-CZ3 3.92Å
566	E	87.6	Confident	86.3	Confident	36 Å²	36	57.2 Å²	57.2	17%	0.168	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	132.2	167.4	179.7	178.6	-102.9	0	0	110.2	L568 G573 N574 R576 S702 V703	E566-L568 HydrophobicContact CG-CD1 3.83Å; E566-G573 CarbonylContact O-C 3.53Å; E566-G573 WeakPolarHBondContact O-CA 3.48Å; E566-N574 PolarHBondContact N-O 2.95Å; E566-N574 PolarHBondContact O-N 2.92Å; E566-R576 VanDerWaalsContact CD-NH2 3.32Å; E566-R576 IonicContact OE1-CZ 2.72Å; E566-R576 IonicContact OE1-NH1 3.3Å; E566-R576 PolarHBondContact OE1-NH1 3.45Å; E566-R576 IonicContact OE1-NH2 3.45Å; E566-R576 PolarHBondContact OE1-NH2 2.9Å; E566-R576 IonicContact OE2-CZ 3.39Å; E566-R576 VanDerWaalsContact OE2-CZ 3.31Å; E566-R576 IonicContact OE2-NH1 3.93Å; E566-R576 PolarHBondContact OE2-NH1 2.89Å; E566-R576 VanDerWaalsContact OE2-NH1 3.16Å; E566-R576 IonicContact OE2-NH2 3.37Å; E566-R576 PolarHBondContact OE2-NH2 2.76Å; E566-S702 CarbonylContact C-O 3.26Å; E566-S702 WeakPolarHBondContact CA-O 3.48Å; E566-V703 HydrophobicContact CB-CG2 4.35Å; E566-V703 HydrophobicContact CG-CG2 4.46Å
567	R	81.9	Confident	86.1	Confident	130 Å²	130	57.4 Å²	57.4	49%	0.491	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.8	169.9	-63.1	-176.8	-177.8	163.7	1.7	108.6	L565 S702	L565-R567 HydrophobicContact CD2-CG 4.35Å; L565-R567 HydrophobicContact CG-CG 4.25Å; R567-S702 PolarHBondContact N-O 3.06Å; R567-S702 PolarHBondContact O-N 3.33Å
568	L	72.7	Confident	86	Confident	63 Å²	63	61.8 Å²	61.8	33%	0.33	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	151.1	159.1	-97.8	73.1	0	0	0	108.8	E566 D570 H571 C701	E566-L568 HydrophobicContact CG-CD1 3.83Å; L568-D570 PolarHBondContact O-N 3.29Å; L568-D570 VanDerWaalsContact O-N 3.07Å; L568-H571 HydrophobicContact CB-CB 4.12Å; L568-H571 PolarHBondContact O-N 3.5Å; L568-C701 HydrophobicContact CD1-CB 4.17Å; L568-C701 WeakPolarHBondContact CD1-SG 3.36Å
569	R	68.1	Low	85.8	Confident	180 Å²	180	62.4 Å²	62.4	68%	0.679	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.2	-176	-72.4	-158.8	-88.1	-127.9	4.6	113.7	L700	R569-L700 HydrophobicContact CG-CD2 4.26Å
570	D	69.2	Low	85.6	Confident	143 Å²	143	60.4 Å²	60.4	77%	0.765	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	5.9	-170.1	-54	-52.3	0	0	0	114.3	L568	L568-D570 PolarHBondContact O-N 3.29Å; L568-D570 VanDerWaalsContact O-N 3.07Å
571	H	69	Low	85.5	Confident	124 Å²	124	61.3 Å²	61.3	57%	0.574	32%	0.316	S	S	*	.	S	Bend	trans	-118.7	147.5	-178	-66.3	-62.5	0	0	0	112.3	L568 G573	L568-H571 HydrophobicContact CB-CB 4.12Å; L568-H571 PolarHBondContact O-N 3.5Å; H571-G573 PolarHBondContact O-N 3.5Å
572	P	72.6	Confident	85.3	Confident	121 Å²	121	65.5 Å²	65.5	79%	0.786	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-54.4	135.5	168.9	24.4	-32.5	0	0	0	109.1	N574	P572-N574 PolarHBondContact O-N 3.48Å
573	G	77.8	Confident	85.2	Confident	42 Å²	42	66.7 Å²	66.7	43%	0.433	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-62.2	132.6	-175.4	0	0	0	0	0	111.3	E566 H571	E566-G573 CarbonylContact O-C 3.53Å; E566-G573 WeakPolarHBondContact O-CA 3.48Å; H571-G573 PolarHBondContact O-N 3.5Å
574	N	86.1	Confident	84.9	Confident	85 Å²	85	70.7 Å²	70.7	46%	0.455	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.4	-178.4	-169.1	12.3	0	0	0	110.2	L565 E566 P572	L565-N574 WeakPolarHBondContact CA-O 3.42Å; E566-N574 PolarHBondContact N-O 2.95Å; E566-N574 PolarHBondContact O-N 2.92Å; P572-N574 PolarHBondContact O-N 3.48Å
575	L	90.4	Very high	84.7	Confident	55 Å²	55	72.6 Å²	72.6	29%	0.288	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.5	177.1	-73.7	167.2	0	0	0	110.1	V563 F564 L565 I706 L883	V563-L575 HydrophobicContact CG2-CD2 4.3Å; F564-L575 CarbonylContact O-C 3.54Å; F564-L575 WeakPolarHBondContact O-CA 3.49Å; L565-L575 HydrophobicContact CB-CD2 3.89Å; L565-L575 HydrophobicContact CD1-CD2 3.88Å; L565-L575 HydrophobicContact CD1-CG 4.1Å; L565-L575 HydrophobicContact CG-CD2 4.48Å; L575-I706 HydrophobicContact CD2-CD1 4.25Å; L575-L883 HydrophobicContact CB-CD1 3.54Å; L575-L883 HydrophobicContact CD1-CD1 4.19Å
576	R	91.9	Very high	84.6	Confident	20 Å²	20	77.7 Å²	77.7	8%	0.075	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	148.6	176	-63.3	-171.2	-177.8	99.5	8.1	111.2	V563 F564 E566 Q581	V563-R576 WeakPolarHBondContact CA-O 3.35Å; F564-R576 PolarHBondContact N-O 2.7Å; F564-R576 PolarHBondContact O-N 3.23Å; E566-R576 VanDerWaalsContact CD-NH2 3.32Å; E566-R576 IonicContact OE1-CZ 2.72Å; E566-R576 IonicContact OE1-NH1 3.3Å; E566-R576 PolarHBondContact OE1-NH1 3.45Å; E566-R576 IonicContact OE1-NH2 3.45Å; E566-R576 PolarHBondContact OE1-NH2 2.9Å; E566-R576 IonicContact OE2-CZ 3.39Å; E566-R576 VanDerWaalsContact OE2-CZ 3.31Å; E566-R576 IonicContact OE2-NH1 3.93Å; E566-R576 PolarHBondContact OE2-NH1 2.89Å; E566-R576 VanDerWaalsContact OE2-NH1 3.16Å; E566-R576 IonicContact OE2-NH2 3.37Å; E566-R576 PolarHBondContact OE2-NH2 2.76Å; R576-Q581 HydrophobicContact CB-CB 4.41Å
577	N	93.2	Very high	84.7	Confident	10 Å²	10	79.3 Å²	79.3	5%	0.053	40%	0.395	C	S	.	.			trans	-75.3	170	164.7	73.2	-14.6	0	0	0	110.3	A579 S580 Q581 Y849	N577-A579 PolarHBondContact O-N 3.03Å; N577-S580 PolarHBondContact O-N 3.41Å; N577-S580 WeakPolarHBondContact OD1-CB 3.33Å; N577-S580 PolarHBondContact OD1-N 2.83Å; N577-Q581 WeakPolarHBondContact O-CB 3.38Å; N577-Q581 PolarHBondContact O-N 3.32Å; N577-Y849 HydrophobicContact CB-CD1 4.42Å; N577-Y849 PolarHBondContact ND2-O 3.42Å; N577-Y849 PolarHBondContact OD1-O 3.06Å
578	E	91.3	Very high	84.8	Confident	101 Å²	101	76.8 Å²	76.8	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-56.8	-46.1	-178.8	-174.7	-179.2	-162.3	0	0	113.3	F564 Q581 M582	F564-E578 HydrophobicContact CE2-CB 4.27Å; F564-E578 HydrophobicContact CE2-CG 4.44Å; E578-Q581 PolarHBondContact O-N 3.33Å; E578-M582 WeakPolarHBondContact O-CB 3.47Å; E578-M582 PolarHBondContact O-N 3.49Å
579	A	91.6	Very high	85.4	Confident	37 Å²	37	77.6 Å²	77.6	31%	0.306	39%	0.39	S	S	.	.	H	α-helix	trans	-64.8	-43.4	-178.2	0	0	0	0	0	112.6	N577 M582 T583 C850	N577-A579 PolarHBondContact O-N 3.03Å; A579-M582 PolarHBondContact O-N 3.46Å; A579-T583 PolarHBondContact O-N 3.45Å; A579-T583 VanDerWaalsContact O-N 3.09Å; A579-T583 PolarHBondContact O-OG1 2.87Å; A579-C850 HydrophobicContact CB-CB 4.13Å
580	S	92.3	Very high	86.4	Confident	5 Å²	5	73.5 Å²	73.5	4%	0.035	38%	0.378	C	S	.	.	H	α-helix	trans	-64.7	-42.9	175.1	-176.3	0	0	0	0	111.6	N577 M582 T583 H584 N848 C850	N577-S580 PolarHBondContact O-N 3.41Å; N577-S580 WeakPolarHBondContact OD1-CB 3.33Å; N577-S580 PolarHBondContact OD1-N 2.83Å; S580-M582 PolarHBondContact O-N 3.29Å; S580-T583 PolarHBondContact O-N 2.91Å; S580-H584 WeakPolarHBondContact O-CB 3.5Å; S580-H584 PolarHBondContact O-CD2 2.83Å; S580-H584 PolarHBondContact O-N 3.49Å; S580-N848 WeakPolarHBondContact CB-O 3.48Å; S580-N848 PolarHBondContact OG-O 3.36Å; S580-C850 VanDerWaalsContact CA-SG 3.55Å
581	Q	92.7	Very high	87.3	Confident	22 Å²	22	72 Å²	72	10%	0.103	37%	0.367	C	S	.	.	H	α-helix	trans	-62	-44.7	176.5	178.6	57.8	30.7	0	0	112.3	F564 R576 N577 E578 T583 H584 F585	F564-Q581 HydrophobicContact CB-CB 4.05Å; F564-Q581 HydrophobicContact CB-CG 3.9Å; F564-Q581 HydrophobicContact CD1-CB 4.46Å; F564-Q581 HydrophobicContact CD1-CG 3.72Å; F564-Q581 HydrophobicContact CD2-CB 3.64Å; F564-Q581 HydrophobicContact CD2-CG 3.82Å; F564-Q581 HydrophobicContact CE1-CG 4.14Å; F564-Q581 HydrophobicContact CE2-CB 4.18Å; F564-Q581 HydrophobicContact CE2-CG 4.26Å; F564-Q581 HydrophobicContact CG-CB 3.8Å; F564-Q581 HydrophobicContact CG-CG 3.53Å; F564-Q581 HydrophobicContact CZ-CG 4.4Å; R576-Q581 HydrophobicContact CB-CB 4.41Å; N577-Q581 WeakPolarHBondContact O-CB 3.38Å; N577-Q581 PolarHBondContact O-N 3.32Å; E578-Q581 PolarHBondContact O-N 3.33Å; Q581-T583 VanDerWaalsContact C-N 3.31Å; Q581-T583 PolarHBondContact O-N 3.05Å; Q581-H584 PolarHBondContact O-N 3.43Å; Q581-F585 VanDerWaalsContact O-CB 3.27Å; Q581-F585 WeakPolarHBondContact O-CB 3.35Å; Q581-F585 PolarHBondContact O-N 3.19Å
582	M	90.8	Very high	88.1	Confident	123 Å²	123	67.8 Å²	67.8	61%	0.606	35%	0.347	S	S	*	.	H	α-helix	trans	-62.3	-41.7	179.1	-170.8	62.7	70.6	0	0	111.3	E578 A579 S580 F585 R586	E578-M582 WeakPolarHBondContact O-CB 3.47Å; E578-M582 PolarHBondContact O-N 3.49Å; A579-M582 PolarHBondContact O-N 3.46Å; S580-M582 PolarHBondContact O-N 3.29Å; M582-F585 PolarHBondContact O-N 2.95Å; M582-R586 PolarHBondContact O-N 3.29Å
583	T	90.9	Very high	88.8	Confident	41 Å²	41	64.9 Å²	64.9	25%	0.252	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-47.5	177.8	-56.9	0	0	0	0	111.4	A579 S580 Q581 F585 R586 I587	A579-T583 PolarHBondContact O-N 3.45Å; A579-T583 VanDerWaalsContact O-N 3.09Å; A579-T583 PolarHBondContact O-OG1 2.87Å; S580-T583 PolarHBondContact O-N 2.91Å; Q581-T583 VanDerWaalsContact C-N 3.31Å; Q581-T583 PolarHBondContact O-N 3.05Å; T583-F585 VanDerWaalsContact C-N 3.35Å; T583-F585 PolarHBondContact O-N 3.46Å; T583-R586 PolarHBondContact O-N 2.92Å; T583-I587 HydrophobicContact CG2-CD1 3.93Å; T583-I587 WeakPolarHBondContact O-CG1 3.32Å; T583-I587 PolarHBondContact O-N 2.98Å
584	H	87.8	Confident	89.5	Confident	86 Å²	86	68.7 Å²	68.7	40%	0.398	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-42.1	175.6	-92.3	-86.5	0	0	0	112.2	S580 Q581 I587 F588	S580-H584 WeakPolarHBondContact O-CB 3.5Å; S580-H584 PolarHBondContact O-CD2 2.83Å; S580-H584 PolarHBondContact O-N 3.49Å; Q581-H584 PolarHBondContact O-N 3.43Å; H584-I587 PolarHBondContact O-N 2.86Å; H584-F588 WeakPolarHBondContact O-CB 3.38Å; H584-F588 PolarHBondContact O-N 2.95Å
585	F	88.4	Confident	89.6	Confident	81 Å²	81	67.1 Å²	67.1	36%	0.355	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-47.1	176.8	179.3	-96.2	0	0	0	111.2	Q581 M582 T583 F588 E589	Q581-F585 VanDerWaalsContact O-CB 3.27Å; Q581-F585 WeakPolarHBondContact O-CB 3.35Å; Q581-F585 PolarHBondContact O-N 3.19Å; M582-F585 PolarHBondContact O-N 2.95Å; T583-F585 VanDerWaalsContact C-N 3.35Å; T583-F585 PolarHBondContact O-N 3.46Å; F585-F588 PolarHBondContact O-N 2.97Å; F585-E589 HydrophobicContact CD1-CG 4.31Å; F585-E589 HydrophobicContact CE1-CG 3.85Å; F585-E589 WeakPolarHBondContact CE1-OE2 3.49Å; F585-E589 HydrophobicContact CE2-CG 4.13Å; F585-E589 HydrophobicContact CZ-CG 3.75Å; F585-E589 WeakPolarHBondContact CZ-OE1 3.4Å; F585-E589 PolarHBondContact O-N 3.26Å
586	R	90.1	Very high	89.4	Confident	126 Å²	126	65.6 Å²	65.6	48%	0.475	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-51.3	177.2	-175.3	-177	68.1	-154.9	-3.4	112	M582 T583 F588 E589 E590	M582-R586 PolarHBondContact O-N 3.29Å; T583-R586 PolarHBondContact O-N 2.92Å; R586-F588 VanDerWaalsContact C-N 3.26Å; R586-F588 PolarHBondContact O-N 3.32Å; R586-E589 PolarHBondContact O-N 3.32Å; R586-E590 WeakPolarHBondContact CG-OE1 3.48Å; R586-E590 IonicContact NE-OE1 2.93Å; R586-E590 WeakPolarHBondContact O-CB 3.45Å; R586-E590 WeakPolarHBondContact O-CG 3.39Å; R586-E590 PolarHBondContact O-N 3.42Å
587	I	89.2	Confident	89.3	Confident	71 Å²	71	69.6 Å²	69.6	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-58.9	-42.8	179.7	-67.4	167.3	0	0	0	110.4	T583 H584 E590 Q591	T583-I587 HydrophobicContact CG2-CD1 3.93Å; T583-I587 WeakPolarHBondContact O-CG1 3.32Å; T583-I587 PolarHBondContact O-N 2.98Å; H584-I587 PolarHBondContact O-N 2.86Å; I587-E590 PolarHBondContact O-N 3.28Å; I587-Q591 WeakPolarHBondContact O-CB 3.36Å; I587-Q591 VanDerWaalsContact O-CG 3.28Å; I587-Q591 WeakPolarHBondContact O-CG 3.25Å; I587-Q591 PolarHBondContact O-N 3.18Å
588	F	84.4	Confident	89.2	Confident	76 Å²	76	73.8 Å²	73.8	33%	0.333	37%	0.365	S	S	.	.	H	α-helix	trans	-66.5	-43.3	179.1	-179.3	-91.6	0	0	0	112.3	H584 F585 R586 Q591 F592 R698	H584-F588 WeakPolarHBondContact O-CB 3.38Å; H584-F588 PolarHBondContact O-N 2.95Å; F585-F588 PolarHBondContact O-N 2.97Å; R586-F588 VanDerWaalsContact C-N 3.26Å; R586-F588 PolarHBondContact O-N 3.32Å; F588-Q591 PolarHBondContact O-N 3.42Å; F588-F592 WeakPolarHBondContact O-CB 3.41Å; F588-F592 PolarHBondContact O-N 3.46Å; F588-R698 HydrophobicContact CE1-CG 3.79Å; F588-R698 HydrophobicContact CZ-CB 4.23Å; F588-R698 HydrophobicContact CZ-CG 3.94Å
589	E	85.2	Confident	88.9	Confident	81 Å²	81	69.8 Å²	69.8	38%	0.379	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-40.7	175.2	-77.5	-150.3	143.3	0	0	112.2	F585 R586 Q591 F592 S593 R698	F585-E589 HydrophobicContact CD1-CG 4.31Å; F585-E589 HydrophobicContact CE1-CG 3.85Å; F585-E589 WeakPolarHBondContact CE1-OE2 3.49Å; F585-E589 HydrophobicContact CE2-CG 4.13Å; F585-E589 HydrophobicContact CZ-CG 3.75Å; F585-E589 WeakPolarHBondContact CZ-OE1 3.4Å; F585-E589 PolarHBondContact O-N 3.26Å; R586-E589 PolarHBondContact O-N 3.32Å; E589-Q591 PolarHBondContact O-N 3.32Å; E589-F592 PolarHBondContact O-N 2.97Å; E589-S593 WeakPolarHBondContact O-CB 3.16Å; E589-S593 PolarHBondContact O-N 2.98Å; E589-R698 IonicContact OE1-NH2 3.32Å; E589-R698 PolarHBondContact OE1-NH2 3.05Å
590	E	90.1	Very high	88.8	Confident	94 Å²	94	70.8 Å²	70.8	44%	0.439	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-44.7	174.3	-74.7	173.6	-163.7	0	0	111.6	R586 I587 F592 S593 K594	R586-E590 WeakPolarHBondContact CG-OE1 3.48Å; R586-E590 IonicContact NE-OE1 2.93Å; R586-E590 WeakPolarHBondContact O-CB 3.45Å; R586-E590 WeakPolarHBondContact O-CG 3.39Å; R586-E590 PolarHBondContact O-N 3.42Å; I587-E590 PolarHBondContact O-N 3.28Å; E590-F592 VanDerWaalsContact C-N 3.35Å; E590-S593 PolarHBondContact O-N 3.3Å; E590-K594 WeakPolarHBondContact O-CG 3.37Å; E590-K594 PolarHBondContact O-N 3.45Å
591	Q	87	Confident	88.6	Confident	111 Å²	111	74.7 Å²	74.7	52%	0.519	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-39.4	176.2	-74.7	175.9	-4.5	0	0	112.2	I587 F588 E589 S595	I587-Q591 WeakPolarHBondContact O-CB 3.36Å; I587-Q591 VanDerWaalsContact O-CG 3.28Å; I587-Q591 WeakPolarHBondContact O-CG 3.25Å; I587-Q591 PolarHBondContact O-N 3.18Å; F588-Q591 PolarHBondContact O-N 3.42Å; E589-Q591 PolarHBondContact O-N 3.32Å; Q591-S595 WeakPolarHBondContact O-CB 3.44Å; Q591-S595 PolarHBondContact O-N 3.28Å; Q591-S595 PolarHBondContact O-OG 3.03Å
592	F	85.9	Confident	88.4	Confident	36 Å²	36	76.2 Å²	76.2	16%	0.158	38%	0.382	C	S	.	.	H	α-helix	trans	-65.3	-45.1	175.8	-178.4	-97.8	0	0	0	111.3	F588 E589 E590 K594 S595 V596 L694 K695 R698	F588-F592 WeakPolarHBondContact O-CB 3.41Å; F588-F592 PolarHBondContact O-N 3.46Å; E589-F592 PolarHBondContact O-N 2.97Å; E590-F592 VanDerWaalsContact C-N 3.35Å; F592-K594 PolarHBondContact O-N 3.25Å; F592-S595 WeakPolarHBondContact O-CB 3.48Å; F592-S595 PolarHBondContact O-N 2.86Å; F592-S595 VanDerWaalsContact O-N 3.14Å; F592-V596 HydrophobicContact CD1-CG2 4.26Å; F592-V596 HydrophobicContact CE1-CG2 3.81Å; F592-V596 HydrophobicContact CE2-CG2 4.46Å; F592-V596 HydrophobicContact CZ-CG2 3.91Å; F592-V596 WeakPolarHBondContact O-CG2 3.32Å; F592-V596 PolarHBondContact O-N 3.18Å; F592-L694 HydrophobicContact CE2-CB 3.94Å; F592-K695 HydrophobicContact CZ-CG 3.98Å; F592-R698 HydrophobicContact CE2-CB 4.4Å
593	S	87.5	Confident	88.2	Confident	59 Å²	59	70.4 Å²	70.4	41%	0.413	35%	0.354	S	S	.	.	H	α-helix	trans	-57.7	-48.9	176.2	-164.8	0	0	0	0	111	E589 E590 S595 V596 E597	E589-S593 WeakPolarHBondContact O-CB 3.16Å; E589-S593 PolarHBondContact O-N 2.98Å; E590-S593 PolarHBondContact O-N 3.3Å; S593-S595 VanDerWaalsContact C-N 3.29Å; S593-S595 PolarHBondContact O-N 3.48Å; S593-V596 PolarHBondContact O-N 3.47Å; S593-V596 VanDerWaalsContact O-N 3.13Å; S593-E597 WeakPolarHBondContact O-CG 3.37Å; S593-E597 PolarHBondContact O-N 2.82Å
594	K	91.8	Very high	87.8	Confident	122 Å²	122	72.4 Å²	72.4	53%	0.53	36%	0.362	S	S	.	.	H	α-helix	trans	-59.4	-38.8	175.7	-73.5	173.5	179.6	173.5	0	112.7	E590 F592 V596 E597 N598	E590-K594 WeakPolarHBondContact O-CG 3.37Å; E590-K594 PolarHBondContact O-N 3.45Å; F592-K594 PolarHBondContact O-N 3.25Å; K594-V596 VanDerWaalsContact C-N 3.34Å; K594-E597 PolarHBondContact O-N 2.9Å; K594-N598 WeakPolarHBondContact O-CB 3.38Å; K594-N598 PolarHBondContact O-N 3.45Å; K594-N598 PolarHBondContact O-ND2 3.44Å
595	S	88.6	Confident	87.8	Confident	52 Å²	52	75 Å²	75	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-67.4	-36.1	178	-58.1	0	0	0	0	112.1	Q591 F592 S593 A599	Q591-S595 WeakPolarHBondContact O-CB 3.44Å; Q591-S595 PolarHBondContact O-N 3.28Å; Q591-S595 PolarHBondContact O-OG 3.03Å; F592-S595 WeakPolarHBondContact O-CB 3.48Å; F592-S595 PolarHBondContact O-N 2.86Å; F592-S595 VanDerWaalsContact O-N 3.14Å; S593-S595 VanDerWaalsContact C-N 3.29Å; S593-S595 PolarHBondContact O-N 3.48Å; S595-A599 WeakPolarHBondContact O-CB 3.39Å; S595-A599 PolarHBondContact O-N 3.38Å
596	V	87.2	Confident	87.5	Confident	24 Å²	24	76 Å²	76	15%	0.145	38%	0.378	C	S	.	.	H	α-helix	trans	-67.7	-46.8	174.2	171.3	0	0	0	0	110.7	F592 S593 K594 N598 A599 L600 I691 L694	F592-V596 HydrophobicContact CD1-CG2 4.26Å; F592-V596 HydrophobicContact CE1-CG2 3.81Å; F592-V596 HydrophobicContact CE2-CG2 4.46Å; F592-V596 HydrophobicContact CZ-CG2 3.91Å; F592-V596 WeakPolarHBondContact O-CG2 3.32Å; F592-V596 PolarHBondContact O-N 3.18Å; S593-V596 PolarHBondContact O-N 3.47Å; S593-V596 VanDerWaalsContact O-N 3.13Å; K594-V596 VanDerWaalsContact C-N 3.34Å; V596-N598 PolarHBondContact O-N 3.14Å; V596-A599 WeakPolarHBondContact O-CB 3.32Å; V596-A599 PolarHBondContact O-N 3Å; V596-A599 VanDerWaalsContact O-N 3.15Å; V596-L600 HydrophobicContact CG1-CD1 4.2Å; V596-L600 HydrophobicContact CG1-CG 4.49Å; V596-L600 WeakPolarHBondContact O-CG 3.27Å; V596-L600 PolarHBondContact O-N 2.97Å; V596-I691 HydrophobicContact CG1-CD1 4.22Å; V596-I691 HydrophobicContact CG1-CG1 4.14Å; V596-L694 HydrophobicContact CG2-CD1 3.9Å
597	E	89.2	Confident	86.8	Confident	103 Å²	103	71.9 Å²	71.9	48%	0.481	36%	0.363	S	S	.	.	H	α-helix	trans	-56.3	-50	175.8	-72.9	167.1	-162.4	0	0	111.4	S593 K594 A599 L600 D601	S593-E597 WeakPolarHBondContact O-CG 3.37Å; S593-E597 PolarHBondContact O-N 2.82Å; K594-E597 PolarHBondContact O-N 2.9Å; E597-A599 VanDerWaalsContact C-N 3.27Å; E597-A599 PolarHBondContact O-N 2.9Å; E597-L600 WeakPolarHBondContact O-CB 3.47Å; E597-L600 PolarHBondContact O-N 3.05Å; E597-L600 VanDerWaalsContact O-N 3.12Å; E597-D601 PolarHBondContact O-N 3.3Å
598	N	90.2	Very high	86.3	Confident	99 Å²	99	73.6 Å²	73.6	53%	0.529	37%	0.37	S	S	.	.	H	α-helix	trans	-60.6	-36.3	177.3	-69.6	-20.6	0	0	0	112.7	K594 V596 S602	K594-N598 WeakPolarHBondContact O-CB 3.38Å; K594-N598 PolarHBondContact O-N 3.45Å; K594-N598 PolarHBondContact O-ND2 3.44Å; V596-N598 PolarHBondContact O-N 3.14Å; N598-S602 WeakPolarHBondContact O-CB 3.49Å; N598-S602 PolarHBondContact O-N 2.93Å; N598-S602 PolarHBondContact O-OG 3.21Å
599	A	86.8	Confident	85.9	Confident	16 Å²	16	73 Å²	73	13%	0.132	38%	0.378	C	S	.	.	H	α-helix	trans	-68.4	-40.2	177	0	0	0	0	0	111.5	S595 V596 E597 S602 V603 K690 L694	S595-A599 WeakPolarHBondContact O-CB 3.39Å; S595-A599 PolarHBondContact O-N 3.38Å; V596-A599 WeakPolarHBondContact O-CB 3.32Å; V596-A599 PolarHBondContact O-N 3Å; V596-A599 VanDerWaalsContact O-N 3.15Å; E597-A599 VanDerWaalsContact C-N 3.27Å; E597-A599 PolarHBondContact O-N 2.9Å; A599-S602 PolarHBondContact O-N 3.48Å; A599-V603 VanDerWaalsContact O-CG2 3.31Å; A599-V603 WeakPolarHBondContact O-CG2 2.93Å; A599-V603 PolarHBondContact O-N 3.47Å; A599-V603 VanDerWaalsContact O-N 3.09Å; A599-K690 HydrophobicContact CB-CB 4.38Å; A599-K690 HydrophobicContact CB-CD 4.31Å; A599-K690 HydrophobicContact CB-CG 4.41Å; A599-L694 HydrophobicContact CB-CD1 4.08Å
600	L	88.2	Confident	85.1	Confident	58 Å²	58	75.5 Å²	75.5	30%	0.304	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-51.1	174.4	-70.1	171.7	0	0	0	111.1	V596 E597 S602 V603 I604 V687	V596-L600 HydrophobicContact CG1-CD1 4.2Å; V596-L600 HydrophobicContact CG1-CG 4.49Å; V596-L600 WeakPolarHBondContact O-CG 3.27Å; V596-L600 PolarHBondContact O-N 2.97Å; E597-L600 WeakPolarHBondContact O-CB 3.47Å; E597-L600 PolarHBondContact O-N 3.05Å; E597-L600 VanDerWaalsContact O-N 3.12Å; L600-S602 PolarHBondContact O-N 2.87Å; L600-V603 PolarHBondContact O-N 2.92Å; L600-I604 WeakPolarHBondContact O-CG1 3.33Å; L600-I604 PolarHBondContact O-N 2.93Å; L600-V687 HydrophobicContact CD2-CB 4.11Å; L600-V687 HydrophobicContact CD2-CG1 3.28Å; L600-V687 HydrophobicContact CD2-CG2 3.68Å
601	D	88.9	Confident	83.8	Confident	88 Å²	88	74 Å²	74	47%	0.471	39%	0.392	S	S	.	.	H	α-helix	trans	-57.6	-38.8	178.3	-78.2	-8.6	0	0	0	112.1	E597 K605	E597-D601 PolarHBondContact O-N 3.3Å; D601-K605 WeakPolarHBondContact O-CB 3.32Å; D601-K605 WeakPolarHBondContact O-CG 3.22Å; D601-K605 PolarHBondContact O-N 3.32Å; D601-K605 VanDerWaalsContact O-N 3.07Å
602	S	88.1	Confident	82	Confident	54 Å²	54	76.9 Å²	76.9	38%	0.378	40%	0.403	S	S	.	.	H	α-helix	trans	-66.7	-40.2	177.5	-57.7	0	0	0	0	111.9	N598 A599 L600 E606	N598-S602 WeakPolarHBondContact O-CB 3.49Å; N598-S602 PolarHBondContact O-N 2.93Å; N598-S602 PolarHBondContact O-OG 3.21Å; A599-S602 PolarHBondContact O-N 3.48Å; L600-S602 PolarHBondContact O-N 2.87Å; S602-E606 WeakPolarHBondContact O-CB 3.47Å; S602-E606 VanDerWaalsContact O-CG 3.28Å; S602-E606 WeakPolarHBondContact O-CG 3.31Å; S602-E606 PolarHBondContact O-N 3.36Å
603	V	86.4	Confident	80.2	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.006	43%	0.427	C	S	.	.	H	α-helix	trans	-67.7	-42.8	177.6	173.8	0	0	0	0	111.3	A599 L600 K605 E606 F607 L683 I686 V687 K690	A599-V603 VanDerWaalsContact O-CG2 3.31Å; A599-V603 WeakPolarHBondContact O-CG2 2.93Å; A599-V603 PolarHBondContact O-N 3.47Å; A599-V603 VanDerWaalsContact O-N 3.09Å; L600-V603 PolarHBondContact O-N 2.92Å; V603-K605 VanDerWaalsContact C-N 3.33Å; V603-K605 PolarHBondContact O-N 2.95Å; V603-E606 PolarHBondContact O-N 3.34Å; V603-F607 WeakPolarHBondContact O-CB 3.37Å; V603-F607 PolarHBondContact O-N 3.38Å; V603-L683 HydrophobicContact CG1-CD2 3.87Å; V603-I686 HydrophobicContact CB-CG2 4.36Å; V603-I686 HydrophobicContact CG1-CB 4.13Å; V603-I686 HydrophobicContact CG1-CG2 3.69Å; V603-I686 HydrophobicContact CG2-CG2 3.65Å; V603-V687 HydrophobicContact CB-CG2 4.31Å; V603-V687 HydrophobicContact CG1-CG2 3.94Å; V603-K690 HydrophobicContact CG2-CD 3.31Å
604	I	83.6	Confident	78	Confident	83 Å²	83	82 Å²	82	43%	0.426	44%	0.44	S	S	.	.	H	α-helix	trans	-60.8	-45.6	178	-66.6	167.8	0	0	0	109.9	L600 F607 E608	L600-I604 WeakPolarHBondContact O-CG1 3.33Å; L600-I604 PolarHBondContact O-N 2.93Å; I604-F607 PolarHBondContact O-N 3Å; I604-E608 HydrophobicContact CG2-CG 4.36Å; I604-E608 WeakPolarHBondContact O-CG 3.48Å; I604-E608 PolarHBondContact O-N 3.46Å
605	K	86.3	Confident	75.6	Confident	139 Å²	139	82.7 Å²	82.7	60%	0.604	45%	0.449	S	S	*	.	H	α-helix	trans	-63	-42.8	177.1	-75	173.9	-177.8	172.1	0	113.5	D601 V603 F607 A609	D601-K605 WeakPolarHBondContact O-CB 3.32Å; D601-K605 WeakPolarHBondContact O-CG 3.22Å; D601-K605 PolarHBondContact O-N 3.32Å; D601-K605 VanDerWaalsContact O-N 3.07Å; V603-K605 VanDerWaalsContact C-N 3.33Å; V603-K605 PolarHBondContact O-N 2.95Å; K605-F607 VanDerWaalsContact C-N 3.27Å; K605-F607 PolarHBondContact O-N 3.38Å; K605-A609 WeakPolarHBondContact O-CB 3.42Å; K605-A609 PolarHBondContact O-N 3.11Å
606	E	82.3	Confident	73.2	Confident	103 Å²	103	87 Å²	87	48%	0.481	47%	0.474	S	S	.	.	H	α-helix	trans	-58.7	-42.7	174.5	-76.8	164.4	-170.3	0	0	110.3	S602 V603 A609 D610 K690	S602-E606 WeakPolarHBondContact O-CB 3.47Å; S602-E606 VanDerWaalsContact O-CG 3.28Å; S602-E606 WeakPolarHBondContact O-CG 3.31Å; S602-E606 PolarHBondContact O-N 3.36Å; V603-E606 PolarHBondContact O-N 3.34Å; E606-A609 PolarHBondContact O-N 3.31Å; E606-D610 PolarHBondContact O-N 2.99Å; E606-K690 IonicContact OE1-NZ 2.84Å; E606-K690 PolarHBondContact OE1-NZ 3.48Å; E606-K690 IonicContact OE2-NZ 3.16Å; E606-K690 PolarHBondContact OE2-NZ 3.23Å; E606-K690 VanDerWaalsContact OE2-NZ 3.13Å
607	F	76.9	Confident	71.1	Confident	40 Å²	40	90.5 Å²	90.5	18%	0.175	50%	0.499	C	S	.	.	H	α-helix	trans	-73.4	-40.1	-178.2	-162.5	-96.7	0	0	0	113.8	V603 I604 K605 A609 D610 T611 Q679 L683	V603-F607 WeakPolarHBondContact O-CB 3.37Å; V603-F607 PolarHBondContact O-N 3.38Å; I604-F607 PolarHBondContact O-N 3Å; K605-F607 VanDerWaalsContact C-N 3.27Å; K605-F607 PolarHBondContact O-N 3.38Å; F607-A609 VanDerWaalsContact C-N 3.27Å; F607-A609 PolarHBondContact O-N 3.06Å; F607-D610 PolarHBondContact O-N 3.1Å; F607-T611 HydrophobicContact CD1-CG2 3.87Å; F607-T611 HydrophobicContact CE1-CG2 3.5Å; F607-T611 HydrophobicContact CZ-CG2 3.99Å; F607-T611 WeakPolarHBondContact O-CB 3.49Å; F607-T611 WeakPolarHBondContact O-CG2 3.43Å; F607-T611 PolarHBondContact O-N 3.47Å; F607-T611 PolarHBondContact O-OG1 2.91Å; F607-Q679 HydrophobicContact CE1-CB 4.24Å; F607-Q679 HydrophobicContact CZ-CB 3.67Å; F607-Q679 HydrophobicContact CZ-CG 3.85Å; F607-L683 HydrophobicContact CB-CD2 3.49Å; F607-L683 VanDerWaalsContact CB-CD2 3.49Å; F607-L683 HydrophobicContact CB-CG 4.32Å; F607-L683 HydrophobicContact CD1-CD1 3.58Å; F607-L683 HydrophobicContact CD1-CD2 3.91Å; F607-L683 HydrophobicContact CD1-CG 3.82Å; F607-L683 HydrophobicContact CD2-CD1 4.29Å; F607-L683 HydrophobicContact CD2-CD2 3.52Å; F607-L683 HydrophobicContact CD2-CG 3.59Å; F607-L683 HydrophobicContact CE1-CD1 3.59Å; F607-L683 HydrophobicContact CE1-CG 3.93Å; F607-L683 HydrophobicContact CE2-CD1 4.32Å; F607-L683 HydrophobicContact CE2-CD2 4.19Å; F607-L683 HydrophobicContact CE2-CG 3.72Å; F607-L683 HydrophobicContact CG-CD1 3.93Å; F607-L683 HydrophobicContact CG-CD2 3.34Å; F607-L683 HydrophobicContact CG-CG 3.63Å; F607-L683 HydrophobicContact CZ-CD1 3.98Å; F607-L683 HydrophobicContact CZ-CG 3.88Å
608	E	77.5	Confident	68.8	Low	107 Å²	107	92.3 Å²	92.3	50%	0.5	52%	0.518	S	S	.	.	H	α-helix	trans	-60.4	-39.9	171.8	-74.5	177.3	172.6	0	0	110.7	I604 T611 F612	I604-E608 HydrophobicContact CG2-CG 4.36Å; I604-E608 WeakPolarHBondContact O-CG 3.48Å; I604-E608 PolarHBondContact O-N 3.46Å; E608-T611 WeakPolarHBondContact CA-OG1 3.31Å; E608-T611 PolarHBondContact O-N 3.22Å; E608-T611 PolarHBondContact O-OG1 3.44Å; E608-F612 WeakPolarHBondContact O-CB 3.42Å; E608-F612 WeakPolarHBondContact O-CD2 3.37Å; E608-F612 PolarHBondContact O-N 3.06Å
609	A	75.7	Confident	66.3	Low	62 Å²	62	93 Å²	93	51%	0.512	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-40.3	176.1	0	0	0	0	0	112.7	K605 E606 F607 G613	K605-A609 WeakPolarHBondContact O-CB 3.42Å; K605-A609 PolarHBondContact O-N 3.11Å; E606-A609 PolarHBondContact O-N 3.31Å; F607-A609 VanDerWaalsContact C-N 3.27Å; F607-A609 PolarHBondContact O-N 3.06Å; A609-G613 WeakPolarHBondContact O-CA 3.5Å; A609-G613 PolarHBondContact O-N 3.19Å
610	D	68.4	Low	64	Low	135 Å²	135	96.4 Å²	96.4	72%	0.722	56%	0.562	S	S	*	*	H	α-helix	trans	-72.7	-33.6	177.7	-76.4	-13.8	0	0	0	112.6	E606 F607	E606-D610 PolarHBondContact O-N 2.99Å; F607-D610 PolarHBondContact O-N 3.1Å
611	T	64.1	Low	62	Low	62 Å²	62	99.1 Å²	99.1	38%	0.38	59%	0.586	S	S	.	*	H	α-helix	trans	-80.4	-34.8	179.4	46	0	0	0	0	113.5	F607 E608	F607-T611 HydrophobicContact CD1-CG2 3.87Å; F607-T611 HydrophobicContact CE1-CG2 3.5Å; F607-T611 HydrophobicContact CZ-CG2 3.99Å; F607-T611 WeakPolarHBondContact O-CB 3.49Å; F607-T611 WeakPolarHBondContact O-CG2 3.43Å; F607-T611 PolarHBondContact O-N 3.47Å; F607-T611 PolarHBondContact O-OG1 2.91Å; E608-T611 WeakPolarHBondContact CA-OG1 3.31Å; E608-T611 PolarHBondContact O-N 3.22Å; E608-T611 PolarHBondContact O-OG1 3.44Å
612	F	49.4	Very low	60.1	Low	172 Å²	172	106.1 Å²	106.1	75%	0.754	61%	0.606	S	S	*	*	S	Bend	trans	-90.8	3.9	172.3	-74.8	-85.8	0	0	0	113.7	E608 M614	E608-F612 WeakPolarHBondContact O-CB 3.42Å; E608-F612 WeakPolarHBondContact O-CD2 3.37Å; E608-F612 PolarHBondContact O-N 3.06Å; F612-M614 PolarHBondContact O-N 3.16Å
613	G	46.6	Very low	58.4	Low	64 Å²	64	115.2 Å²	115.2	66%	0.66	63%	0.632	S	S	*	*			trans	-68.5	54.5	170.5	0	0	0	0	0	113.1	A609	A609-G613 WeakPolarHBondContact O-CA 3.5Å; A609-G613 PolarHBondContact O-N 3.19Å
614	M	42.3	Very low	57	Low	138 Å²	138	124.1 Å²	124.1	68%	0.68	67%	0.67	S	S	*	*			trans	-107.2	116.5	167.8	-160.8	140.9	84.3	0	0	107.7	F612	F612-M614 PolarHBondContact O-N 3.16Å
615	D	41.3	Very low	55.8	Low	137 Å²	137	125 Å²	125	73%	0.733	68%	0.681	S	S	*	*	S	Bend	trans	78.7	49.2	154.6	-54.5	-21.6	0	0	0	120.7
616	T	39	Very low	55	Low	142 Å²	142	121.5 Å²	121.5	87%	0.871	68%	0.679	S	S	*	*			trans	-123.6	49.5	153.4	64.4	0	0	0	0	112.8
617	S	42.6	Very low	54.5	Low	97 Å²	97	120.8 Å²	120.8	68%	0.678	68%	0.678	S	S	*	*			trans	-101.2	96	155.4	47.4	0	0	0	0	108.9	T619	S617-T619 PolarHBondContact O-N 3.19Å
618	T	39.6	Very low	54.4	Low	142 Å²	142	123 Å²	123	87%	0.871	69%	0.691	S	S	*	*			trans	-62.1	72.6	165.6	-44	0	0	0	0	110.1
619	T	38.7	Very low	54.6	Low	113 Å²	113	120.2 Å²	120.2	69%	0.693	68%	0.676	S	S	*	*	S	Bend	trans	-149.3	93.2	167.5	48.9	0	0	0	0	110.8	S617 S621	S617-T619 PolarHBondContact O-N 3.19Å; T619-S621 VanDerWaalsContact C-N 3.34Å; T619-S621 PolarHBondContact O-N 3.25Å
620	G	38.8	Very low	55	Low	88 Å²	88	120.4 Å²	120.4	91%	0.907	67%	0.669	S	S	*	*			trans	53.2	21.2	138.1	0	0	0	0	0	121.4	R622	G620-R622 PolarHBondContact O-N 3.2Å
621	S	46.3	Very low	55.8	Low	114 Å²	114	116.7 Å²	116.7	80%	0.797	65%	0.651	S	S	*	*			trans	-82.9	109.5	176.7	-161.6	0	0	0	0	110.7	T619 R623	T619-S621 VanDerWaalsContact C-N 3.34Å; T619-S621 PolarHBondContact O-N 3.25Å; S621-R623 PolarHBondContact O-N 2.9Å; S621-R623 VanDerWaalsContact O-N 3.12Å
622	R	48	Very low	56.7	Low	235 Å²	235	121.2 Å²	121.2	89%	0.887	67%	0.668	S	S	*	*			trans	-44.3	118.2	169.6	-77.8	175.8	174.1	163.7	-2.3	109	G620 K624	G620-R622 PolarHBondContact O-N 3.2Å; R622-K624 PolarHBondContact O-N 2.78Å
623	R	52	Low	58.3	Low	246 Å²	246	117.4 Å²	117.4	93%	0.928	65%	0.652	S	S	*	*			trans	-51	109.5	167.1	-72.2	-178.3	177.7	150.3	-0.8	107.2	S621	S621-R623 PolarHBondContact O-N 2.9Å; S621-R623 VanDerWaalsContact O-N 3.12Å
624	K	57.5	Low	60.1	Low	188 Å²	188	114.5 Å²	114.5	82%	0.817	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-58.2	137.1	170.7	-73	-178.8	179.3	176.2	0	106.8	R622 A626	R622-K624 PolarHBondContact O-N 2.78Å; K624-A626 PolarHBondContact O-N 3.14Å
625	P	59.5	Low	62.1	Low	101 Å²	101	111.3 Å²	111.3	66%	0.656	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-56.8	135.8	178.4	23.2	-31.3	0	0	0	108.7	L627	P625-L627 WeakPolarHBondContact O-CD1 3.43Å; P625-L627 PolarHBondContact O-N 3.28Å
626	A	69.3	Low	64.2	Low	66 Å²	66	108.5 Å²	108.5	55%	0.545	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-57	128.4	170.2	0	0	0	0	0	108	K624 S649	K624-A626 PolarHBondContact O-N 3.14Å; A626-S649 WeakPolarHBondContact CA-O 3.37Å
627	L	70.5	Confident	66.3	Low	88 Å²	88	103.6 Å²	103.6	46%	0.461	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-102.8	122.5	174.8	-80.2	109	0	0	0	108	P625 Y629 S649	P625-L627 WeakPolarHBondContact O-CD1 3.43Å; P625-L627 PolarHBondContact O-N 3.28Å; L627-Y629 HydrophobicContact CB-CE1 4.14Å; L627-Y629 HydrophobicContact CB-CE2 4.12Å; L627-S649 PolarHBondContact N-O 2.9Å
628	D	74.7	Confident	68.1	Low	87 Å²	87	104.5 Å²	104.5	47%	0.465	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-87.2	119.4	168.2	-109.6	22.5	0	0	0	108.5	S651 R655	D628-S651 WeakPolarHBondContact OD1-CB 3.43Å; D628-S651 PolarHBondContact OD1-OG 2.9Å; D628-R655 IonicContact OD2-NH1 3.09Å; D628-R655 PolarHBondContact OD2-NH1 3Å
629	Y	82.3	Confident	70.3	Confident	47 Å²	47	102.1 Å²	102.1	18%	0.184	55%	0.55	C	S	.	.	P	Polyproline II helix	trans	-94.3	137.8	175.8	-56.1	-75.4	0	0	0	109.1	L627 M646 S649	L627-Y629 HydrophobicContact CB-CE1 4.14Å; L627-Y629 HydrophobicContact CB-CE2 4.12Å; Y629-M646 HydrophobicContact CD1-CE 3.49Å; Y629-M646 VanDerWaalsContact CD1-CE 3.49Å; Y629-M646 HydrophobicContact CD2-CB 4.01Å; Y629-M646 HydrophobicContact CD2-CE 3.65Å; Y629-M646 HydrophobicContact CD2-CG 4.18Å; Y629-M646 HydrophobicContact CE1-CE 4.04Å; Y629-M646 HydrophobicContact CE1-CG 4.36Å; Y629-M646 HydrophobicContact CE2-CB 3.73Å; Y629-M646 HydrophobicContact CE2-CE 4.19Å; Y629-M646 HydrophobicContact CE2-CG 3.84Å; Y629-M646 HydrophobicContact CG-CE 3.26Å; Y629-S649 PolarHBondContact OH-OG 2.82Å
630	D	84.2	Confident	72.4	Confident	67 Å²	67	97.7 Å²	97.7	36%	0.358	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-73.3	165	171.9	73.2	45	0	0	0	111.4	Q632 Q633 I634	D630-Q632 PolarHBondContact O-N 3.26Å; D630-Q632 WeakPolarHBondContact OD1-CA 3.48Å; D630-Q632 WeakPolarHBondContact OD1-CB 3.44Å; D630-Q632 PolarHBondContact OD1-N 3.41Å; D630-Q633 PolarHBondContact O-N 3.44Å; D630-Q633 WeakPolarHBondContact OD1-CB 3.41Å; D630-Q633 WeakPolarHBondContact OD1-CG 3.49Å; D630-Q633 PolarHBondContact OD1-N 3.01Å; D630-I634 WeakPolarHBondContact O-CG1 3.33Å; D630-I634 PolarHBondContact O-N 3.3Å
631	T	84.7	Confident	74.5	Confident	57 Å²	57	99.5 Å²	99.5	35%	0.35	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-32.8	-177.6	-55.9	0	0	0	0	112.3	Q635	T631-Q635 HydrophobicContact CG2-CG 4.37Å; T631-Q635 WeakPolarHBondContact O-CB 3.12Å; T631-Q635 WeakPolarHBondContact O-CG 3.2Å; T631-Q635 PolarHBondContact O-N 3.24Å
632	Q	83.7	Confident	76.3	Confident	156 Å²	156	95 Å²	95	73%	0.729	48%	0.48	S	S	*	.	H	α-helix	trans	-73.2	-38.8	179	-64	-179.3	-4.6	0	0	111.3	D630 Q635 A636	D630-Q632 PolarHBondContact O-N 3.26Å; D630-Q632 WeakPolarHBondContact OD1-CA 3.48Å; D630-Q632 WeakPolarHBondContact OD1-CB 3.44Å; D630-Q632 PolarHBondContact OD1-N 3.41Å; Q632-Q635 PolarHBondContact O-N 3.05Å; Q632-A636 VanDerWaalsContact O-CB 3.26Å; Q632-A636 WeakPolarHBondContact O-CB 3.26Å; Q632-A636 PolarHBondContact O-N 2.84Å
633	Q	83.8	Confident	78.1	Confident	92 Å²	92	83.9 Å²	83.9	43%	0.43	44%	0.438	S	S	.	.	H	α-helix	trans	-63.5	-41.4	174.9	-71.6	172.3	-13.3	0	0	111.4	D630 V637	D630-Q633 PolarHBondContact O-N 3.44Å; D630-Q633 WeakPolarHBondContact OD1-CB 3.41Å; D630-Q633 WeakPolarHBondContact OD1-CG 3.49Å; D630-Q633 PolarHBondContact OD1-N 3.01Å; Q633-V637 WeakPolarHBondContact O-CG2 3.47Å
634	I	83.5	Confident	79.7	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.015	40%	0.404	C	S	.	.	H	α-helix	trans	-65.8	-43.6	174.6	-61.9	167.8	0	0	0	110.2	D630 A636 V637 M646 F656 I660 Q664	D630-I634 WeakPolarHBondContact O-CG1 3.33Å; D630-I634 PolarHBondContact O-N 3.3Å; I634-A636 VanDerWaalsContact C-N 3.33Å; I634-A636 PolarHBondContact O-N 3.32Å; I634-V637 PolarHBondContact O-N 2.94Å; I634-M646 HydrophobicContact CB-CE 4.5Å; I634-M646 HydrophobicContact CG1-CE 3.93Å; I634-F656 HydrophobicContact CB-CE2 4.44Å; I634-F656 HydrophobicContact CD1-CD2 3.58Å; I634-F656 HydrophobicContact CD1-CE2 3.92Å; I634-F656 HydrophobicContact CD1-CG 4.38Å; I634-F656 HydrophobicContact CG1-CD2 3.92Å; I634-F656 HydrophobicContact CG1-CE2 3.71Å; I634-F656 HydrophobicContact CG2-CD2 4.42Å; I634-F656 HydrophobicContact CG2-CE2 3.96Å; I634-F656 HydrophobicContact CG2-CZ 4.11Å; I634-I660 HydrophobicContact CG2-CG1 3.89Å; I634-Q664 PolarHBondContact O-NE2 3.15Å
635	Q	83.9	Confident	80.9	Confident	71 Å²	71	72.8 Å²	72.8	33%	0.332	40%	0.398	S	S	.	.	H	α-helix	trans	-73.1	-21.1	-178	-76.7	-179.9	3.6	0	0	114.3	T631 Q632 V637 S659 M661 Q664	T631-Q635 HydrophobicContact CG2-CG 4.37Å; T631-Q635 WeakPolarHBondContact O-CB 3.12Å; T631-Q635 WeakPolarHBondContact O-CG 3.2Å; T631-Q635 PolarHBondContact O-N 3.24Å; Q632-Q635 PolarHBondContact O-N 3.05Å; Q635-V637 VanDerWaalsContact C-N 3.34Å; Q635-S659 WeakPolarHBondContact CG-O 3.42Å; Q635-S659 PolarHBondContact NE2-O 2.98Å; Q635-M661 HydrophobicContact CB-CE 3.62Å; Q635-M661 HydrophobicContact CG-CE 3.74Å; Q635-M661 HydrophobicContact CG-CG 3.89Å; Q635-Q664 PolarHBondContact O-NE2 3.37Å
636	A	85.1	Confident	82.2	Confident	78 Å²	78	68.8 Å²	68.8	65%	0.645	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.5	176.8	0	0	0	0	0	113.6	Q632 I634	Q632-A636 VanDerWaalsContact O-CB 3.26Å; Q632-A636 WeakPolarHBondContact O-CB 3.26Å; Q632-A636 PolarHBondContact O-N 2.84Å; I634-A636 VanDerWaalsContact C-N 3.33Å; I634-A636 PolarHBondContact O-N 3.32Å
637	V	84.1	Confident	82.9	Confident	40 Å²	40	70.3 Å²	70.3	24%	0.242	36%	0.363	C	S	.	.			trans	-93.9	102.1	-178.9	-179.8	0	0	0	0	110.3	Q633 I634 Q635 L643 M646 Q664	Q633-V637 WeakPolarHBondContact O-CG2 3.47Å; I634-V637 PolarHBondContact O-N 2.94Å; Q635-V637 VanDerWaalsContact C-N 3.34Å; V637-L643 HydrophobicContact CB-CD2 4.22Å; V637-L643 HydrophobicContact CB-CG 4.5Å; V637-L643 HydrophobicContact CG1-CD2 4.29Å; V637-L643 HydrophobicContact CG1-CG 4.07Å; V637-M646 HydrophobicContact CB-SD 4.16Å; V637-M646 HydrophobicContact CG1-SD 4.4Å; V637-M646 HydrophobicContact CG2-SD 3.71Å; V637-Q664 PolarHBondContact O-NE2 2.67Å
638	D	80.8	Confident	83.4	Confident	116 Å²	116	73.7 Å²	73.7	62%	0.62	37%	0.374	S	S	*	.			trans	-86.3	-15.6	176.5	-76.8	-33	0	0	0	113.9
639	D	84.7	Confident	83.8	Confident	91 Å²	91	71.1 Å²	71.1	49%	0.487	36%	0.363	S	S	.	.			trans	-80	135.3	178.9	172.7	49.9	0	0	0	112.7	E641 G642 L643	D639-E641 WeakPolarHBondContact OD2-CB 3.44Å; D639-E641 PolarHBondContact OD2-N 2.88Å; D639-G642 PolarHBondContact O-N 3.09Å; D639-G642 PolarHBondContact OD2-N 3.41Å; D639-L643 WeakPolarHBondContact O-CG 2.85Å; D639-L643 PolarHBondContact O-N 2.92Å
640	V	83.2	Confident	83.8	Confident	20 Å²	20	70 Å²	70	12%	0.121	36%	0.361	C	S	.	.	H	α-helix	trans	-71.1	-37.3	-175	-178.8	0	0	0	0	112	L643 I644 N667 L668 Y671	V640-L643 PolarHBondContact O-N 3.28Å; V640-I644 HydrophobicContact CG1-CD1 4.02Å; V640-I644 HydrophobicContact CG1-CG1 4.46Å; V640-I644 WeakPolarHBondContact O-CG1 3.38Å; V640-I644 PolarHBondContact O-N 3.11Å; V640-N667 HydrophobicContact CG2-CB 3.88Å; V640-L668 HydrophobicContact CG1-CD2 3.71Å; V640-L668 HydrophobicContact CG1-CG 4.34Å; V640-Y671 HydrophobicContact CB-CG 4.38Å; V640-Y671 HydrophobicContact CG1-CD1 3.68Å; V640-Y671 HydrophobicContact CG1-CD2 4.09Å; V640-Y671 HydrophobicContact CG1-CE1 4.36Å; V640-Y671 HydrophobicContact CG1-CG 3.51Å
641	E	81.9	Confident	83.7	Confident	127 Å²	127	70.2 Å²	70.2	59%	0.593	37%	0.368	S	S	*	.	H	α-helix	trans	-67.6	-40.8	177.6	-66.7	-177.9	179.5	0	0	111	D639 I644 K645	D639-E641 WeakPolarHBondContact OD2-CB 3.44Å; D639-E641 PolarHBondContact OD2-N 2.88Å; E641-I644 PolarHBondContact O-N 3.06Å; E641-K645 VanDerWaalsContact O-CB 3.29Å; E641-K645 WeakPolarHBondContact O-CB 3.29Å; E641-K645 PolarHBondContact O-N 3.4Å
642	G	84.7	Confident	83.6	Confident	20 Å²	20	70.9 Å²	70.9	21%	0.206	37%	0.369	C	S	.	.	H	α-helix	trans	-54.4	-49.3	169.9	0	0	0	0	0	112.5	D639 K645 M646	D639-G642 PolarHBondContact O-N 3.09Å; D639-G642 PolarHBondContact OD2-N 3.41Å; G642-K645 PolarHBondContact O-N 3.44Å; G642-M646 VanDerWaalsContact O-CG 3.3Å; G642-M646 WeakPolarHBondContact O-CG 3.47Å; G642-M646 PolarHBondContact O-N 2.87Å
643	L	87	Confident	83.6	Confident	1 Å²	1	66 Å²	66	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-43.4	178.6	-72.9	170.6	0	0	0	113	V637 D639 V640 K645 M646 Y647 F656 Q664 L668	V637-L643 HydrophobicContact CB-CD2 4.22Å; V637-L643 HydrophobicContact CB-CG 4.5Å; V637-L643 HydrophobicContact CG1-CD2 4.29Å; V637-L643 HydrophobicContact CG1-CG 4.07Å; D639-L643 WeakPolarHBondContact O-CG 2.85Å; D639-L643 PolarHBondContact O-N 2.92Å; V640-L643 PolarHBondContact O-N 3.28Å; L643-K645 VanDerWaalsContact C-N 3.33Å; L643-K645 PolarHBondContact O-N 3.38Å; L643-M646 PolarHBondContact O-N 2.78Å; L643-Y647 WeakPolarHBondContact O-CB 3.46Å; L643-Y647 PolarHBondContact O-N 3.02Å; L643-F656 HydrophobicContact CD2-CZ 4.24Å; L643-Q664 HydrophobicContact CD1-CB 3.83Å; L643-Q664 HydrophobicContact CD1-CG 4.07Å; L643-L668 HydrophobicContact CB-CD1 4.37Å; L643-L668 HydrophobicContact CB-CD2 4.28Å; L643-L668 HydrophobicContact CD1-CD1 4.19Å; L643-L668 HydrophobicContact CD1-CG 4.32Å
644	I	83.7	Confident	83.5	Confident	45 Å²	45	67.4 Å²	67.4	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-41	177	-69.3	170.2	0	0	0	110.8	V640 E641 Y647 K648 L668 Y671	V640-I644 HydrophobicContact CG1-CD1 4.02Å; V640-I644 HydrophobicContact CG1-CG1 4.46Å; V640-I644 WeakPolarHBondContact O-CG1 3.38Å; V640-I644 PolarHBondContact O-N 3.11Å; E641-I644 PolarHBondContact O-N 3.06Å; I644-Y647 PolarHBondContact O-N 2.75Å; I644-K648 HydrophobicContact CG2-CD 4.3Å; I644-K648 HydrophobicContact CG2-CG 4.5Å; I644-K648 WeakPolarHBondContact O-CG 3.23Å; I644-K648 PolarHBondContact O-N 2.78Å; I644-L668 HydrophobicContact CD1-CD2 4.29Å; I644-L668 HydrophobicContact CG1-CD2 3.71Å; I644-Y671 HydrophobicContact CD1-CD1 3.68Å; I644-Y671 HydrophobicContact CD1-CE1 3.34Å
645	K	84.2	Confident	83.6	Confident	156 Å²	156	72.2 Å²	72.2	68%	0.678	38%	0.375	S	S	*	.	H	α-helix	trans	-64.2	-43.1	177.8	-176.2	-179.5	178.2	-176.7	0	111.3	E641 G642 L643 S649	E641-K645 VanDerWaalsContact O-CB 3.29Å; E641-K645 WeakPolarHBondContact O-CB 3.29Å; E641-K645 PolarHBondContact O-N 3.4Å; G642-K645 PolarHBondContact O-N 3.44Å; L643-K645 VanDerWaalsContact C-N 3.33Å; L643-K645 PolarHBondContact O-N 3.38Å; K645-S649 PolarHBondContact O-N 2.98Å; K645-S649 PolarHBondContact O-OG 2.81Å
646	M	85.7	Confident	83.8	Confident	17 Å²	17	69 Å²	69	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-60.2	-51.4	173.6	-69.1	172.9	83.4	0	0	110.2	Y629 I634 V637 G642 L643 K648 S649 T650 F656	Y629-M646 HydrophobicContact CD1-CE 3.49Å; Y629-M646 VanDerWaalsContact CD1-CE 3.49Å; Y629-M646 HydrophobicContact CD2-CB 4.01Å; Y629-M646 HydrophobicContact CD2-CE 3.65Å; Y629-M646 HydrophobicContact CD2-CG 4.18Å; Y629-M646 HydrophobicContact CE1-CE 4.04Å; Y629-M646 HydrophobicContact CE1-CG 4.36Å; Y629-M646 HydrophobicContact CE2-CB 3.73Å; Y629-M646 HydrophobicContact CE2-CE 4.19Å; Y629-M646 HydrophobicContact CE2-CG 3.84Å; Y629-M646 HydrophobicContact CG-CE 3.26Å; I634-M646 HydrophobicContact CB-CE 4.5Å; I634-M646 HydrophobicContact CG1-CE 3.93Å; V637-M646 HydrophobicContact CB-SD 4.16Å; V637-M646 HydrophobicContact CG1-SD 4.4Å; V637-M646 HydrophobicContact CG2-SD 3.71Å; G642-M646 VanDerWaalsContact O-CG 3.3Å; G642-M646 WeakPolarHBondContact O-CG 3.47Å; G642-M646 PolarHBondContact O-N 2.87Å; L643-M646 PolarHBondContact O-N 2.78Å; M646-K648 VanDerWaalsContact C-N 3.34Å; M646-K648 PolarHBondContact O-N 2.75Å; M646-S649 CarbonylContact O-C 3.58Å; M646-S649 WeakPolarHBondContact O-CA 2.83Å; M646-S649 PolarHBondContact O-N 2.89Å; M646-S649 PolarHBondContact O-OG 3.43Å; M646-T650 PolarHBondContact O-N 3.3Å; M646-T650 PolarHBondContact O-OG1 2.74Å; M646-F656 HydrophobicContact CB-CE2 3.54Å; M646-F656 HydrophobicContact CB-CZ 3.66Å; M646-F656 HydrophobicContact CE-CE2 4.3Å
647	Y	83.9	Confident	83.8	Confident	98 Å²	98	69.9 Å²	69.9	38%	0.384	35%	0.351	S	S	.	.	H	α-helix	trans	-52.4	-46.8	178.3	-175.5	-102.7	0	0	0	113	L643 I644 S649 T650 P653 F656 E657	L643-Y647 WeakPolarHBondContact O-CB 3.46Å; L643-Y647 PolarHBondContact O-N 3.02Å; I644-Y647 PolarHBondContact O-N 2.75Å; Y647-S649 PolarHBondContact O-N 2.87Å; Y647-T650 PolarHBondContact O-N 2.79Å; Y647-P653 HydrophobicContact CE2-CB 3.86Å; Y647-F656 AromaticContact CD2-CD1 3.62Å; Y647-F656 HydrophobicContact CD2-CD1 3.62Å; Y647-F656 HydrophobicContact CD2-CE1 4.09Å; Y647-F656 HydrophobicContact CD2-CG 4.34Å; Y647-F656 HydrophobicContact CG-CD1 4.42Å; Y647-E657 HydrophobicContact CE2-CG 3.97Å; Y647-E657 WeakPolarHBondContact CE2-OE1 3.46Å; Y647-E657 PolarHBondContact OH-OE1 3.1Å
648	K	81.5	Confident	83.7	Confident	158 Å²	158	77.6 Å²	77.6	69%	0.687	38%	0.376	S	S	*	.	H	α-helix	trans	-66	-18	178	-73	-175.6	178.8	-172.2	0	114.2	I644 M646	I644-K648 HydrophobicContact CG2-CD 4.3Å; I644-K648 HydrophobicContact CG2-CG 4.5Å; I644-K648 WeakPolarHBondContact O-CG 3.23Å; I644-K648 PolarHBondContact O-N 2.78Å; M646-K648 VanDerWaalsContact C-N 3.34Å; M646-K648 PolarHBondContact O-N 2.75Å
649	S	83	Confident	83.8	Confident	34 Å²	34	72.6 Å²	72.6	24%	0.238	35%	0.35	C	S	.	.	H	α-helix	trans	-110.6	-3.9	-176	63.3	0	0	0	0	114.4	A626 L627 Y629 K645 M646 Y647	A626-S649 WeakPolarHBondContact CA-O 3.37Å; L627-S649 PolarHBondContact N-O 2.9Å; Y629-S649 PolarHBondContact OH-OG 2.82Å; K645-S649 PolarHBondContact O-N 2.98Å; K645-S649 PolarHBondContact O-OG 2.81Å; M646-S649 CarbonylContact O-C 3.58Å; M646-S649 WeakPolarHBondContact O-CA 2.83Å; M646-S649 PolarHBondContact O-N 2.89Å; M646-S649 PolarHBondContact O-OG 3.43Å; Y647-S649 PolarHBondContact O-N 2.87Å
650	T	83	Confident	83.9	Confident	22 Å²	22	69.6 Å²	69.6	14%	0.135	33%	0.334	C	S	.	.			trans	-80.3	142.9	-178.8	-61.9	0	0	0	0	111.9	M646 Y647 D652 F656	M646-T650 PolarHBondContact O-N 3.3Å; M646-T650 PolarHBondContact O-OG1 2.74Å; Y647-T650 PolarHBondContact O-N 2.79Å; T650-D652 WeakPolarHBondContact CG2-O 3.44Å; T650-F656 HydrophobicContact CG2-CB 4.13Å; T650-F656 HydrophobicContact CG2-CD2 4.34Å
651	S	81.2	Confident	84.1	Confident	73 Å²	73	72.3 Å²	72.3	51%	0.51	35%	0.346	S	S	.	.	S	Bend	trans	-71.1	-33.6	176.8	-10.2	0	0	0	0	113.1	D628	D628-S651 WeakPolarHBondContact OD1-CB 3.43Å; D628-S651 PolarHBondContact OD1-OG 2.9Å
652	D	82.4	Confident	84.3	Confident	70 Å²	70	72.6 Å²	72.6	37%	0.374	35%	0.351	S	S	.	.			trans	-126.4	91.6	-178.8	-175.5	-8.1	0	0	0	111.8	T650 Q654 R655 F656	T650-D652 WeakPolarHBondContact CG2-O 3.44Å; D652-Q654 VanDerWaalsContact C-N 3.26Å; D652-Q654 PolarHBondContact O-N 2.87Å; D652-Q654 PolarHBondContact OD1-N 3.46Å; D652-R655 HydrophobicContact CB-CB 4.05Å; D652-R655 PolarHBondContact O-N 3.12Å; D652-R655 PolarHBondContact OD1-N 3.23Å; D652-R655 WeakPolarHBondContact OD2-CB 3.25Å; D652-F656 PolarHBondContact O-N 3.25Å; D652-F656 VanDerWaalsContact O-N 3.11Å
653	P	83.5	Confident	84.4	Confident	53 Å²	53	75.4 Å²	75.4	34%	0.344	36%	0.364	S	S	.	.	H	α-helix	trans	-59.2	-32.2	177.7	-25.5	34.8	0	0	0	113.9	Y647 F656 E657	Y647-P653 HydrophobicContact CE2-CB 3.86Å; P653-F656 WeakPolarHBondContact O-CB 3.13Å; P653-F656 PolarHBondContact O-N 3.44Å; P653-E657 WeakPolarHBondContact O-CG 3.37Å; P653-E657 PolarHBondContact O-N 3.41Å
654	Q	83.4	Confident	84.4	Confident	123 Å²	123	75.3 Å²	75.3	58%	0.575	36%	0.364	S	S	*	.	H	α-helix	trans	-72.2	-39.7	-178.7	-67.9	-168.4	-5.4	0	0	111.4	D652 F656 E657 R658	D652-Q654 VanDerWaalsContact C-N 3.26Å; D652-Q654 PolarHBondContact O-N 2.87Å; D652-Q654 PolarHBondContact OD1-N 3.46Å; Q654-F656 VanDerWaalsContact C-N 3.33Å; Q654-E657 PolarHBondContact O-N 3.28Å; Q654-R658 WeakPolarHBondContact O-CG 3.32Å; Q654-R658 PolarHBondContact O-N 2.91Å
655	R	85.5	Confident	84.6	Confident	104 Å²	104	81.1 Å²	81.1	39%	0.392	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-41.2	172.4	-178.9	-173	175.2	-152.8	-2.8	111.2	D628 D652 R658 S659	D628-R655 IonicContact OD2-NH1 3.09Å; D628-R655 PolarHBondContact OD2-NH1 3Å; D652-R655 HydrophobicContact CB-CB 4.05Å; D652-R655 PolarHBondContact O-N 3.12Å; D652-R655 PolarHBondContact OD1-N 3.23Å; D652-R655 WeakPolarHBondContact OD2-CB 3.25Å; R655-R658 PolarHBondContact O-N 3.31Å; R655-S659 WeakPolarHBondContact O-CB 3.17Å; R655-S659 PolarHBondContact O-N 3.23Å; R655-S659 VanDerWaalsContact O-N 3.14Å; R655-S659 PolarHBondContact O-OG 3.28Å
656	F	87.3	Confident	84.7	Confident	3 Å²	3	81.2 Å²	81.2	1%	0.013	38%	0.379	C	S	.	.	H	α-helix	trans	-58	-51.1	176.3	-170.5	-89.5	0	0	0	110.4	I634 L643 M646 Y647 T650 D652 P653 Q654 R658 S659 I660	I634-F656 HydrophobicContact CB-CE2 4.44Å; I634-F656 HydrophobicContact CD1-CD2 3.58Å; I634-F656 HydrophobicContact CD1-CE2 3.92Å; I634-F656 HydrophobicContact CD1-CG 4.38Å; I634-F656 HydrophobicContact CG1-CD2 3.92Å; I634-F656 HydrophobicContact CG1-CE2 3.71Å; I634-F656 HydrophobicContact CG2-CD2 4.42Å; I634-F656 HydrophobicContact CG2-CE2 3.96Å; I634-F656 HydrophobicContact CG2-CZ 4.11Å; L643-F656 HydrophobicContact CD2-CZ 4.24Å; M646-F656 HydrophobicContact CB-CE2 3.54Å; M646-F656 HydrophobicContact CB-CZ 3.66Å; M646-F656 HydrophobicContact CE-CE2 4.3Å; Y647-F656 AromaticContact CD2-CD1 3.62Å; Y647-F656 HydrophobicContact CD2-CD1 3.62Å; Y647-F656 HydrophobicContact CD2-CE1 4.09Å; Y647-F656 HydrophobicContact CD2-CG 4.34Å; Y647-F656 HydrophobicContact CG-CD1 4.42Å; T650-F656 HydrophobicContact CG2-CB 4.13Å; T650-F656 HydrophobicContact CG2-CD2 4.34Å; D652-F656 PolarHBondContact O-N 3.25Å; D652-F656 VanDerWaalsContact O-N 3.11Å; P653-F656 WeakPolarHBondContact O-CB 3.13Å; P653-F656 PolarHBondContact O-N 3.44Å; Q654-F656 VanDerWaalsContact C-N 3.33Å; F656-R658 VanDerWaalsContact C-N 3.25Å; F656-R658 PolarHBondContact O-N 3.16Å; F656-S659 PolarHBondContact O-N 3.28Å; F656-I660 HydrophobicContact CD1-CD1 3.58Å; F656-I660 HydrophobicContact CD1-CG1 3.99Å; F656-I660 HydrophobicContact CE1-CD1 3.38Å; F656-I660 HydrophobicContact CE1-CG1 3.8Å; F656-I660 HydrophobicContact CZ-CD1 4.39Å; F656-I660 HydrophobicContact CZ-CG1 4.43Å; F656-I660 WeakPolarHBondContact O-CG1 3.36Å; F656-I660 PolarHBondContact O-N 3.27Å
657	E	84.2	Confident	84.7	Confident	96 Å²	96	83.4 Å²	83.4	45%	0.449	39%	0.391	S	S	.	.	H	α-helix	trans	-58	-33.5	178.6	-76	172.1	-162.1	0	0	113.9	Y647 P653 Q654 S659	Y647-E657 HydrophobicContact CE2-CG 3.97Å; Y647-E657 WeakPolarHBondContact CE2-OE1 3.46Å; Y647-E657 PolarHBondContact OH-OE1 3.1Å; P653-E657 WeakPolarHBondContact O-CG 3.37Å; P653-E657 PolarHBondContact O-N 3.41Å; Q654-E657 PolarHBondContact O-N 3.28Å; E657-S659 VanDerWaalsContact C-N 3.34Å
658	R	83.3	Confident	84.8	Confident	202 Å²	202	80.6 Å²	80.6	76%	0.762	38%	0.382	S	S	*	.	H	α-helix	trans	-75.3	-21.9	174.9	-68.9	178.1	-161.5	168.3	8.4	113.6	Q654 R655 F656	Q654-R658 WeakPolarHBondContact O-CG 3.32Å; Q654-R658 PolarHBondContact O-N 2.91Å; R655-R658 PolarHBondContact O-N 3.31Å; F656-R658 VanDerWaalsContact C-N 3.25Å; F656-R658 PolarHBondContact O-N 3.16Å
659	S	83.5	Confident	85	Confident	11 Å²	11	78.8 Å²	78.8	8%	0.077	38%	0.376	C	S	.	.	H	α-helix	trans	-92.6	-18.3	-173.6	-56.6	0	0	0	0	113.3	Q635 R655 F656 E657	Q635-S659 WeakPolarHBondContact CG-O 3.42Å; Q635-S659 PolarHBondContact NE2-O 2.98Å; R655-S659 WeakPolarHBondContact O-CB 3.17Å; R655-S659 PolarHBondContact O-N 3.23Å; R655-S659 VanDerWaalsContact O-N 3.14Å; R655-S659 PolarHBondContact O-OG 3.28Å; F656-S659 PolarHBondContact O-N 3.28Å; E657-S659 VanDerWaalsContact C-N 3.34Å
660	I	86.9	Confident	85.2	Confident	28 Å²	28	84.2 Å²	84.2	14%	0.144	40%	0.395	C	S	.	.	S	Bend	trans	-69.8	136.9	176.4	-62.8	170.2	0	0	0	110.8	I634 F656 Q664 R665 L668	I634-I660 HydrophobicContact CG2-CG1 3.89Å; F656-I660 HydrophobicContact CD1-CD1 3.58Å; F656-I660 HydrophobicContact CD1-CG1 3.99Å; F656-I660 HydrophobicContact CE1-CD1 3.38Å; F656-I660 HydrophobicContact CE1-CG1 3.8Å; F656-I660 HydrophobicContact CZ-CD1 4.39Å; F656-I660 HydrophobicContact CZ-CG1 4.43Å; F656-I660 WeakPolarHBondContact O-CG1 3.36Å; F656-I660 PolarHBondContact O-N 3.27Å; I660-Q664 HydrophobicContact CG2-CB 3.35Å; I660-Q664 HydrophobicContact CG2-CG 4.42Å; I660-R665 HydrophobicContact CG2-CB 4.35Å; I660-L668 HydrophobicContact CD1-CD1 4.06Å
661	M	87.3	Confident	85.3	Confident	78 Å²	78	86.3 Å²	86.3	38%	0.384	40%	0.402	S	S	.	.			trans	-69.2	155.5	174.7	-60	-156.1	-169.7	0	0	113	Q635 T663 Q664 R665	Q635-M661 HydrophobicContact CB-CE 3.62Å; Q635-M661 HydrophobicContact CG-CE 3.74Å; Q635-M661 HydrophobicContact CG-CG 3.89Å; M661-T663 PolarHBondContact O-N 3.27Å; M661-Q664 HydrophobicContact CB-CB 4.45Å; M661-Q664 HydrophobicContact CB-CG 4.24Å; M661-Q664 PolarHBondContact O-N 2.95Å; M661-Q664 VanDerWaalsContact O-N 3.16Å; M661-R665 PolarHBondContact O-N 3.13Å
662	L	86.1	Confident	85.5	Confident	132 Å²	132	87.4 Å²	87.4	69%	0.691	40%	0.398	S	S	*	.	H	α-helix	trans	-53	-37.2	173.2	-95.3	149.7	0	0	0	113.3	R666	L662-R666 WeakPolarHBondContact O-CG 3.27Å; L662-R666 PolarHBondContact O-N 3.46Å; L662-R666 VanDerWaalsContact O-N 3.1Å
663	T	85.6	Confident	85.7	Confident	79 Å²	79	87.8 Å²	87.8	49%	0.485	40%	0.401	S	S	.	.	H	α-helix	trans	-67.1	-49.2	176.6	43.7	0	0	0	0	112	M661 R665 R666 N667	M661-T663 PolarHBondContact O-N 3.27Å; T663-R665 VanDerWaalsContact C-N 3.34Å; T663-R665 PolarHBondContact O-N 3.07Å; T663-R666 WeakPolarHBondContact O-CB 3.43Å; T663-R666 PolarHBondContact O-N 2.66Å; T663-N667 PolarHBondContact O-N 3.4Å
664	Q	88.4	Confident	86	Confident	0 Å²	0	93.3 Å²	93.3	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-59.8	-42	175.8	-68.7	173.7	-41	0	0	111.7	I634 Q635 V637 L643 I660 M661 R666 N667 L668	I634-Q664 PolarHBondContact O-NE2 3.15Å; Q635-Q664 PolarHBondContact O-NE2 3.37Å; V637-Q664 PolarHBondContact O-NE2 2.67Å; L643-Q664 HydrophobicContact CD1-CB 3.83Å; L643-Q664 HydrophobicContact CD1-CG 4.07Å; I660-Q664 HydrophobicContact CG2-CB 3.35Å; I660-Q664 HydrophobicContact CG2-CG 4.42Å; M661-Q664 HydrophobicContact CB-CB 4.45Å; M661-Q664 HydrophobicContact CB-CG 4.24Å; M661-Q664 PolarHBondContact O-N 2.95Å; M661-Q664 VanDerWaalsContact O-N 3.16Å; Q664-R666 PolarHBondContact O-N 3.06Å; Q664-N667 PolarHBondContact O-N 2.97Å; Q664-L668 PolarHBondContact O-N 2.96Å
665	R	86.4	Confident	86.1	Confident	166 Å²	166	90.1 Å²	90.1	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-61.6	-42.2	175.4	-173	174.1	-176.9	148.5	1.4	112.4	I660 M661 T663 N667 L668 Q669	I660-R665 HydrophobicContact CG2-CB 4.35Å; M661-R665 PolarHBondContact O-N 3.13Å; T663-R665 VanDerWaalsContact C-N 3.34Å; T663-R665 PolarHBondContact O-N 3.07Å; R665-N667 VanDerWaalsContact C-N 3.35Å; R665-L668 PolarHBondContact O-N 3Å; R665-Q669 PolarHBondContact O-N 3.28Å
666	R	86.4	Confident	86	Confident	158 Å²	158	87.9 Å²	87.9	60%	0.596	40%	0.397	S	S	*	.	H	α-helix	trans	-63.3	-40	173.9	-75.8	174.6	178.4	168.1	0.3	111.8	L662 T663 Q664 Q669 K670	L662-R666 WeakPolarHBondContact O-CG 3.27Å; L662-R666 PolarHBondContact O-N 3.46Å; L662-R666 VanDerWaalsContact O-N 3.1Å; T663-R666 WeakPolarHBondContact O-CB 3.43Å; T663-R666 PolarHBondContact O-N 2.66Å; Q664-R666 PolarHBondContact O-N 3.06Å; R666-Q669 PolarHBondContact O-N 3.37Å; R666-K670 WeakPolarHBondContact O-CG 3.42Å; R666-K670 PolarHBondContact O-N 3.47Å
667	N	85.4	Confident	86	Confident	63 Å²	63	94 Å²	94	34%	0.337	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-42.3	177.9	-69.8	-12.9	0	0	0	111.8	V640 T663 Q664 R665 K670 Y671	V640-N667 HydrophobicContact CG2-CB 3.88Å; T663-N667 PolarHBondContact O-N 3.4Å; Q664-N667 PolarHBondContact O-N 2.97Å; R665-N667 VanDerWaalsContact C-N 3.35Å; N667-K670 PolarHBondContact O-N 3Å; N667-Y671 WeakPolarHBondContact O-CB 3.48Å; N667-Y671 PolarHBondContact O-N 3.22Å
668	L	85.8	Confident	86.3	Confident	40 Å²	40	94.5 Å²	94.5	21%	0.209	43%	0.431	C	S	.	.	H	α-helix	trans	-59	-45.5	172.1	-81.5	163.2	0	0	0	112	V640 L643 I644 I660 Q664 R665 Y671 Q672	V640-L668 HydrophobicContact CG1-CD2 3.71Å; V640-L668 HydrophobicContact CG1-CG 4.34Å; L643-L668 HydrophobicContact CB-CD1 4.37Å; L643-L668 HydrophobicContact CB-CD2 4.28Å; L643-L668 HydrophobicContact CD1-CD1 4.19Å; L643-L668 HydrophobicContact CD1-CG 4.32Å; I644-L668 HydrophobicContact CD1-CD2 4.29Å; I644-L668 HydrophobicContact CG1-CD2 3.71Å; I660-L668 HydrophobicContact CD1-CD1 4.06Å; Q664-L668 PolarHBondContact O-N 2.96Å; R665-L668 PolarHBondContact O-N 3Å; L668-Y671 PolarHBondContact O-N 2.9Å; L668-Q672 WeakPolarHBondContact O-CB 3.46Å; L668-Q672 PolarHBondContact O-N 2.89Å
669	Q	86.2	Confident	86.3	Confident	119 Å²	119	88.8 Å²	88.8	56%	0.556	41%	0.413	S	S	*	.	H	α-helix	trans	-64.4	-42.7	177.9	-170.2	178.4	8	0	0	112	R665 R666 Y671 Q672 N673	R665-Q669 PolarHBondContact O-N 3.28Å; R666-Q669 PolarHBondContact O-N 3.37Å; Q669-Y671 VanDerWaalsContact C-N 3.33Å; Q669-Y671 PolarHBondContact O-N 3.33Å; Q669-Q672 PolarHBondContact O-N 2.9Å; Q669-N673 WeakPolarHBondContact O-CB 3.36Å; Q669-N673 VanDerWaalsContact O-CG 3.25Å; Q669-N673 PolarHBondContact O-N 2.91Å; Q669-N673 PolarHBondContact O-OD1 3.48Å
670	K	87.2	Confident	86.2	Confident	148 Å²	148	96.9 Å²	96.9	64%	0.643	44%	0.442	S	S	*	.	H	α-helix	trans	-60.4	-42.8	174.3	-77.4	180	178.5	-177	0	111.9	R666 N667 N673 R674	R666-K670 WeakPolarHBondContact O-CG 3.42Å; R666-K670 PolarHBondContact O-N 3.47Å; N667-K670 PolarHBondContact O-N 3Å; K670-N673 PolarHBondContact O-N 3.42Å; K670-R674 WeakPolarHBondContact O-CB 3.31Å; K670-R674 PolarHBondContact O-N 2.83Å
671	Y	86.2	Confident	86.3	Confident	67 Å²	67	98.2 Å²	98.2	26%	0.263	46%	0.457	S	S	.	.	H	α-helix	trans	-64.7	-43.4	176.4	177.5	-97.9	0	0	0	111.9	V640 I644 N667 L668 Q669 N673 R674 L675	V640-Y671 HydrophobicContact CB-CG 4.38Å; V640-Y671 HydrophobicContact CG1-CD1 3.68Å; V640-Y671 HydrophobicContact CG1-CD2 4.09Å; V640-Y671 HydrophobicContact CG1-CE1 4.36Å; V640-Y671 HydrophobicContact CG1-CG 3.51Å; I644-Y671 HydrophobicContact CD1-CD1 3.68Å; I644-Y671 HydrophobicContact CD1-CE1 3.34Å; N667-Y671 WeakPolarHBondContact O-CB 3.48Å; N667-Y671 PolarHBondContact O-N 3.22Å; L668-Y671 PolarHBondContact O-N 2.9Å; Q669-Y671 VanDerWaalsContact C-N 3.33Å; Q669-Y671 PolarHBondContact O-N 3.33Å; Y671-N673 PolarHBondContact O-N 2.73Å; Y671-R674 WeakPolarHBondContact O-CB 3.42Å; Y671-R674 PolarHBondContact O-N 3.29Å; Y671-L675 HydrophobicContact CD1-CD1 3.95Å; Y671-L675 HydrophobicContact CD1-CG 4.24Å; Y671-L675 HydrophobicContact CE1-CD1 3.3Å; Y671-L675 HydrophobicContact CE1-CD2 4.49Å; Y671-L675 HydrophobicContact CE1-CG 3.84Å; Y671-L675 HydrophobicContact CE2-CG 4.46Å; Y671-L675 PolarHBondContact O-N 2.99Å
672	Q	84.1	Confident	86.3	Confident	95 Å²	95	98.6 Å²	98.6	44%	0.444	46%	0.457	S	S	.	.	H	α-helix	trans	-61.3	-43.8	175.5	-172.7	62.6	41.7	0	0	111.6	L668 Q669 R674 L675 N676	L668-Q672 WeakPolarHBondContact O-CB 3.46Å; L668-Q672 PolarHBondContact O-N 2.89Å; Q669-Q672 PolarHBondContact O-N 2.9Å; Q672-R674 VanDerWaalsContact C-N 3.33Å; Q672-R674 PolarHBondContact O-N 2.87Å; Q672-L675 PolarHBondContact O-N 3.28Å; Q672-N676 PolarHBondContact NE2-OD1 3.01Å; Q672-N676 WeakPolarHBondContact O-CB 3.28Å; Q672-N676 PolarHBondContact O-N 3.2Å; Q672-N676 PolarHBondContact O-OD1 2.6Å
673	N	87.9	Confident	86.2	Confident	79 Å²	79	93.3 Å²	93.3	42%	0.422	43%	0.43	S	S	.	.	H	α-helix	trans	-60.5	-44.6	174.9	-70.6	-4.7	0	0	0	111	Q669 K670 Y671 L675 N676 E677	Q669-N673 WeakPolarHBondContact O-CB 3.36Å; Q669-N673 VanDerWaalsContact O-CG 3.25Å; Q669-N673 PolarHBondContact O-N 2.91Å; Q669-N673 PolarHBondContact O-OD1 3.48Å; K670-N673 PolarHBondContact O-N 3.42Å; Y671-N673 PolarHBondContact O-N 2.73Å; N673-L675 PolarHBondContact O-N 3.09Å; N673-N676 PolarHBondContact O-N 3.03Å; N673-E677 WeakPolarHBondContact O-CB 3.41Å; N673-E677 WeakPolarHBondContact O-CG 3.31Å; N673-E677 PolarHBondContact O-N 3.35Å
674	R	89.5	Confident	86.2	Confident	169 Å²	169	95 Å²	95	64%	0.638	43%	0.432	S	S	*	.	H	α-helix	trans	-61.8	-40.7	176.4	-173.2	-179.1	-177.1	-169.5	0.8	112.4	K670 Y671 Q672 E677 L678	K670-R674 WeakPolarHBondContact O-CB 3.31Å; K670-R674 PolarHBondContact O-N 2.83Å; Y671-R674 WeakPolarHBondContact O-CB 3.42Å; Y671-R674 PolarHBondContact O-N 3.29Å; Q672-R674 VanDerWaalsContact C-N 3.33Å; Q672-R674 PolarHBondContact O-N 2.87Å; R674-E677 PolarHBondContact O-N 2.63Å; R674-L678 HydrophobicContact CG-CD1 4.4Å; R674-L678 VanDerWaalsContact O-CG 3.31Å; R674-L678 WeakPolarHBondContact O-CG 3.29Å; R674-L678 PolarHBondContact O-N 3.2Å
675	L	84.6	Confident	86.2	Confident	56 Å²	56	100.9 Å²	100.9	29%	0.293	46%	0.458	S	S	.	.	H	α-helix	trans	-64	-45.4	174.8	-75	-173.7	0	0	0	111.3	Y671 Q672 N673 E677 L678 Q679	Y671-L675 HydrophobicContact CD1-CD1 3.95Å; Y671-L675 HydrophobicContact CD1-CG 4.24Å; Y671-L675 HydrophobicContact CE1-CD1 3.3Å; Y671-L675 HydrophobicContact CE1-CD2 4.49Å; Y671-L675 HydrophobicContact CE1-CG 3.84Å; Y671-L675 HydrophobicContact CE2-CG 4.46Å; Y671-L675 PolarHBondContact O-N 2.99Å; Q672-L675 PolarHBondContact O-N 3.28Å; N673-L675 PolarHBondContact O-N 3.09Å; L675-E677 VanDerWaalsContact C-N 3.34Å; L675-E677 PolarHBondContact O-N 3.47Å; L675-L678 PolarHBondContact O-N 3.33Å; L675-Q679 WeakPolarHBondContact O-CB 3.48Å; L675-Q679 VanDerWaalsContact O-CG 3.31Å; L675-Q679 WeakPolarHBondContact O-CG 3.45Å; L675-Q679 PolarHBondContact O-N 3.13Å
676	N	84.2	Confident	86.3	Confident	57 Å²	57	95.7 Å²	95.7	31%	0.305	44%	0.442	S	S	.	.	H	α-helix	trans	-61	-43.2	176.2	-67.5	-7.5	0	0	0	110.9	Q672 N673 Q679 W680	Q672-N676 PolarHBondContact NE2-OD1 3.01Å; Q672-N676 WeakPolarHBondContact O-CB 3.28Å; Q672-N676 PolarHBondContact O-N 3.2Å; Q672-N676 PolarHBondContact O-OD1 2.6Å; N673-N676 PolarHBondContact O-N 3.03Å; N676-Q679 WeakPolarHBondContact O-CB 3.4Å; N676-Q679 PolarHBondContact O-N 3.08Å; N676-W680 WeakPolarHBondContact O-CB 3.3Å; N676-W680 PolarHBondContact O-N 2.92Å
677	E	88	Confident	86.3	Confident	132 Å²	132	89.6 Å²	89.6	62%	0.617	42%	0.422	S	S	*	.	H	α-helix	trans	-60.5	-44.9	175.8	-77.7	172.1	-172.2	0	0	112.1	N673 R674 L675 Q679 W680 A681	N673-E677 WeakPolarHBondContact O-CB 3.41Å; N673-E677 WeakPolarHBondContact O-CG 3.31Å; N673-E677 PolarHBondContact O-N 3.35Å; R674-E677 PolarHBondContact O-N 2.63Å; L675-E677 VanDerWaalsContact C-N 3.34Å; L675-E677 PolarHBondContact O-N 3.47Å; E677-Q679 VanDerWaalsContact C-N 3.34Å; E677-Q679 PolarHBondContact O-N 2.95Å; E677-W680 PolarHBondContact O-N 2.93Å; E677-A681 VanDerWaalsContact O-CB 3.3Å; E677-A681 WeakPolarHBondContact O-CB 3.49Å; E677-A681 PolarHBondContact O-N 3.21Å
678	L	90.2	Very high	86.5	Confident	106 Å²	106	91.5 Å²	91.5	56%	0.555	43%	0.429	S	S	*	.	H	α-helix	trans	-63.2	-40.6	176	-73.2	170.5	0	0	0	111.8	R674 L675 A681 E682	R674-L678 HydrophobicContact CG-CD1 4.4Å; R674-L678 VanDerWaalsContact O-CG 3.31Å; R674-L678 WeakPolarHBondContact O-CG 3.29Å; R674-L678 PolarHBondContact O-N 3.2Å; L675-L678 PolarHBondContact O-N 3.33Å; L678-A681 PolarHBondContact O-N 2.76Å; L678-E682 PolarHBondContact O-N 2.92Å
679	Q	81.7	Confident	86.7	Confident	81 Å²	81	96.1 Å²	96.1	38%	0.379	45%	0.447	S	S	.	.	H	α-helix	trans	-63.6	-47.8	175.4	-79.1	-178.2	-8.5	0	0	111.8	F607 L675 N676 E677 A681 E682 L683	F607-Q679 HydrophobicContact CE1-CB 4.24Å; F607-Q679 HydrophobicContact CZ-CB 3.67Å; F607-Q679 HydrophobicContact CZ-CG 3.85Å; L675-Q679 WeakPolarHBondContact O-CB 3.48Å; L675-Q679 VanDerWaalsContact O-CG 3.31Å; L675-Q679 WeakPolarHBondContact O-CG 3.45Å; L675-Q679 PolarHBondContact O-N 3.13Å; N676-Q679 WeakPolarHBondContact O-CB 3.4Å; N676-Q679 PolarHBondContact O-N 3.08Å; E677-Q679 VanDerWaalsContact C-N 3.34Å; E677-Q679 PolarHBondContact O-N 2.95Å; Q679-A681 VanDerWaalsContact C-N 3.33Å; Q679-A681 PolarHBondContact O-N 3.27Å; Q679-E682 PolarHBondContact O-N 3.18Å; Q679-L683 WeakPolarHBondContact O-CB 3.33Å; Q679-L683 PolarHBondContact O-N 2.87Å
680	W	82.6	Confident	86.7	Confident	182 Å²	182	92.9 Å²	92.9	69%	0.689	43%	0.431	S	S	*	.	H	α-helix	trans	-62.4	-38.8	175.9	-81.2	116.9	0	0	0	112.4	N676 E677 L683 Q684	N676-W680 WeakPolarHBondContact O-CB 3.3Å; N676-W680 PolarHBondContact O-N 2.92Å; E677-W680 PolarHBondContact O-N 2.93Å; W680-L683 HydrophobicContact CE3-CD1 3.96Å; W680-L683 HydrophobicContact CZ3-CD1 4.11Å; W680-L683 PolarHBondContact O-N 3.11Å; W680-Q684 WeakPolarHBondContact O-CB 3.48Å; W680-Q684 PolarHBondContact O-N 3.42Å
681	A	89.1	Confident	86.7	Confident	55 Å²	55	87.8 Å²	87.8	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-64.9	-42.1	176.1	0	0	0	0	0	112.3	E677 L678 Q679 Q684 K685	E677-A681 VanDerWaalsContact O-CB 3.3Å; E677-A681 WeakPolarHBondContact O-CB 3.49Å; E677-A681 PolarHBondContact O-N 3.21Å; L678-A681 PolarHBondContact O-N 2.76Å; Q679-A681 VanDerWaalsContact C-N 3.33Å; Q679-A681 PolarHBondContact O-N 3.27Å; A681-Q684 PolarHBondContact O-N 2.94Å; A681-K685 WeakPolarHBondContact O-CB 3.26Å; A681-K685 PolarHBondContact O-N 2.84Å
682	E	86.7	Confident	86.8	Confident	86 Å²	86	87.4 Å²	87.4	40%	0.402	42%	0.418	S	S	.	.	H	α-helix	trans	-69.1	-40.7	177.1	-168.5	61.2	-158.2	0	0	111.4	L678 Q679 Q684 K685 I686	L678-E682 PolarHBondContact O-N 2.92Å; Q679-E682 PolarHBondContact O-N 3.18Å; E682-Q684 PolarHBondContact O-N 3.32Å; E682-K685 WeakPolarHBondContact O-CB 3.39Å; E682-K685 PolarHBondContact O-N 2.74Å; E682-K685 IonicContact OE1-NZ 2.85Å; E682-K685 PolarHBondContact OE1-NZ 2.82Å; E682-K685 IonicContact OE2-NZ 3.51Å; E682-K685 PolarHBondContact OE2-NZ 2.75Å; E682-I686 HydrophobicContact CG-CD1 4.28Å; E682-I686 WeakPolarHBondContact O-CG1 3.38Å; E682-I686 PolarHBondContact O-N 2.83Å
683	L	84.7	Confident	86.9	Confident	21 Å²	21	87.2 Å²	87.2	11%	0.11	42%	0.417	C	S	.	.	H	α-helix	trans	-55.3	-52.3	171.6	-90.1	172.8	0	0	0	112	V603 F607 Q679 W680 K685 I686 V687	V603-L683 HydrophobicContact CG1-CD2 3.87Å; F607-L683 HydrophobicContact CB-CD2 3.49Å; F607-L683 VanDerWaalsContact CB-CD2 3.49Å; F607-L683 HydrophobicContact CB-CG 4.32Å; F607-L683 HydrophobicContact CD1-CD1 3.58Å; F607-L683 HydrophobicContact CD1-CD2 3.91Å; F607-L683 HydrophobicContact CD1-CG 3.82Å; F607-L683 HydrophobicContact CD2-CD1 4.29Å; F607-L683 HydrophobicContact CD2-CD2 3.52Å; F607-L683 HydrophobicContact CD2-CG 3.59Å; F607-L683 HydrophobicContact CE1-CD1 3.59Å; F607-L683 HydrophobicContact CE1-CG 3.93Å; F607-L683 HydrophobicContact CE2-CD1 4.32Å; F607-L683 HydrophobicContact CE2-CD2 4.19Å; F607-L683 HydrophobicContact CE2-CG 3.72Å; F607-L683 HydrophobicContact CG-CD1 3.93Å; F607-L683 HydrophobicContact CG-CD2 3.34Å; F607-L683 HydrophobicContact CG-CG 3.63Å; F607-L683 HydrophobicContact CZ-CD1 3.98Å; F607-L683 HydrophobicContact CZ-CG 3.88Å; Q679-L683 WeakPolarHBondContact O-CB 3.33Å; Q679-L683 PolarHBondContact O-N 2.87Å; W680-L683 HydrophobicContact CE3-CD1 3.96Å; W680-L683 HydrophobicContact CZ3-CD1 4.11Å; W680-L683 PolarHBondContact O-N 3.11Å; L683-K685 VanDerWaalsContact C-N 3.27Å; L683-K685 PolarHBondContact O-N 3.3Å; L683-I686 PolarHBondContact O-N 2.75Å; L683-V687 WeakPolarHBondContact O-CG2 3.36Å; L683-V687 PolarHBondContact O-N 2.89Å
684	Q	84.5	Confident	86.7	Confident	116 Å²	116	85.3 Å²	85.3	54%	0.542	41%	0.407	S	S	.	.	H	α-helix	trans	-57.6	-43.3	179.7	-178.5	179.1	-16.5	0	0	111.2	W680 A681 E682 I686 V687 E688	W680-Q684 WeakPolarHBondContact O-CB 3.48Å; W680-Q684 PolarHBondContact O-N 3.42Å; A681-Q684 PolarHBondContact O-N 2.94Å; E682-Q684 PolarHBondContact O-N 3.32Å; Q684-I686 PolarHBondContact O-N 2.95Å; Q684-V687 PolarHBondContact O-N 2.86Å; Q684-E688 HydrophobicContact CG-CG 4.41Å; Q684-E688 PolarHBondContact NE2-OE1 3.46Å; Q684-E688 WeakPolarHBondContact O-CB 3.34Å; Q684-E688 WeakPolarHBondContact O-CG 3.43Å; Q684-E688 PolarHBondContact O-N 3.27Å
685	K	89.7	Confident	86.3	Confident	122 Å²	122	82.8 Å²	82.8	53%	0.53	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-40.7	178.3	178.8	-177.8	160.6	-147.3	0	112.7	A681 E682 L683 K689	A681-K685 WeakPolarHBondContact O-CB 3.26Å; A681-K685 PolarHBondContact O-N 2.84Å; E682-K685 WeakPolarHBondContact O-CB 3.39Å; E682-K685 PolarHBondContact O-N 2.74Å; E682-K685 IonicContact OE1-NZ 2.85Å; E682-K685 PolarHBondContact OE1-NZ 2.82Å; E682-K685 IonicContact OE2-NZ 3.51Å; E682-K685 PolarHBondContact OE2-NZ 2.75Å; L683-K685 VanDerWaalsContact C-N 3.27Å; L683-K685 PolarHBondContact O-N 3.3Å; K685-K689 WeakPolarHBondContact O-CB 3.49Å; K685-K689 PolarHBondContact O-N 2.98Å
686	I	87.5	Confident	85.9	Confident	57 Å²	57	86.9 Å²	86.9	29%	0.292	42%	0.416	S	S	.	.	H	α-helix	trans	-64.7	-44.6	175.3	-65	166.2	0	0	0	110.2	V603 E682 L683 Q684 K689 K690	V603-I686 HydrophobicContact CB-CG2 4.36Å; V603-I686 HydrophobicContact CG1-CB 4.13Å; V603-I686 HydrophobicContact CG1-CG2 3.69Å; V603-I686 HydrophobicContact CG2-CG2 3.65Å; E682-I686 HydrophobicContact CG-CD1 4.28Å; E682-I686 WeakPolarHBondContact O-CG1 3.38Å; E682-I686 PolarHBondContact O-N 2.83Å; L683-I686 PolarHBondContact O-N 2.75Å; Q684-I686 PolarHBondContact O-N 2.95Å; I686-K689 WeakPolarHBondContact O-CB 3.4Å; I686-K689 PolarHBondContact O-N 3.35Å; I686-K690 PolarHBondContact O-N 3.13Å
687	V	86.6	Confident	85.3	Confident	30 Å²	30	89 Å²	89	18%	0.182	43%	0.427	C	S	.	.	H	α-helix	trans	-59.5	-51	176.7	165.4	0	0	0	0	111.4	L600 V603 L683 Q684 K689 K690 I691	L600-V687 HydrophobicContact CD2-CB 4.11Å; L600-V687 HydrophobicContact CD2-CG1 3.28Å; L600-V687 HydrophobicContact CD2-CG2 3.68Å; V603-V687 HydrophobicContact CB-CG2 4.31Å; V603-V687 HydrophobicContact CG1-CG2 3.94Å; L683-V687 WeakPolarHBondContact O-CG2 3.36Å; L683-V687 PolarHBondContact O-N 2.89Å; Q684-V687 PolarHBondContact O-N 2.86Å; V687-K689 VanDerWaalsContact C-N 3.25Å; V687-K689 PolarHBondContact O-N 3.37Å; V687-K690 PolarHBondContact O-N 3.45Å; V687-I691 HydrophobicContact CG1-CD1 3.65Å; V687-I691 HydrophobicContact CG1-CG1 4.34Å; V687-I691 WeakPolarHBondContact O-CG1 3.3Å; V687-I691 PolarHBondContact O-N 2.97Å
688	E	89.4	Confident	84.3	Confident	104 Å²	104	87.2 Å²	87.2	49%	0.486	42%	0.415	S	S	.	.	H	α-helix	trans	-59.4	-37.9	178.9	-78.9	179.5	-170.2	0	0	111.9	Q684 S692	Q684-E688 HydrophobicContact CG-CG 4.41Å; Q684-E688 PolarHBondContact NE2-OE1 3.46Å; Q684-E688 WeakPolarHBondContact O-CB 3.34Å; Q684-E688 WeakPolarHBondContact O-CG 3.43Å; Q684-E688 PolarHBondContact O-N 3.27Å; E688-S692 WeakPolarHBondContact O-CB 3.49Å; E688-S692 PolarHBondContact O-N 3.14Å; E688-S692 PolarHBondContact O-OG 2.84Å
689	K	90.6	Very high	83	Confident	136 Å²	136	88.6 Å²	88.6	59%	0.591	42%	0.422	S	S	*	.	H	α-helix	trans	-63.6	-51	174.6	-174.5	-176.4	174.7	-171.3	0	111.6	K685 I686 V687 I691 S692 E693	K685-K689 WeakPolarHBondContact O-CB 3.49Å; K685-K689 PolarHBondContact O-N 2.98Å; I686-K689 WeakPolarHBondContact O-CB 3.4Å; I686-K689 PolarHBondContact O-N 3.35Å; V687-K689 VanDerWaalsContact C-N 3.25Å; V687-K689 PolarHBondContact O-N 3.37Å; K689-I691 PolarHBondContact O-N 2.89Å; K689-S692 WeakPolarHBondContact O-CB 3.43Å; K689-S692 PolarHBondContact O-N 3.13Å; K689-S692 VanDerWaalsContact O-N 3.17Å; K689-E693 VanDerWaalsContact CE-OE1 3.31Å; K689-E693 WeakPolarHBondContact CE-OE1 2.92Å; K689-E693 WeakPolarHBondContact O-CG 3.17Å; K689-E693 PolarHBondContact O-N 3.12Å
690	K	86.4	Confident	82	Confident	51 Å²	51	87.5 Å²	87.5	22%	0.222	42%	0.418	C	S	.	.	H	α-helix	trans	-60.4	-44.3	178.3	-111.9	162.7	177.7	165.5	0	111.2	A599 V603 E606 I686 V687 S692 E693 L694	A599-K690 HydrophobicContact CB-CB 4.38Å; A599-K690 HydrophobicContact CB-CD 4.31Å; A599-K690 HydrophobicContact CB-CG 4.41Å; V603-K690 HydrophobicContact CG2-CD 3.31Å; E606-K690 IonicContact OE1-NZ 2.84Å; E606-K690 PolarHBondContact OE1-NZ 3.48Å; E606-K690 IonicContact OE2-NZ 3.16Å; E606-K690 PolarHBondContact OE2-NZ 3.23Å; E606-K690 VanDerWaalsContact OE2-NZ 3.13Å; I686-K690 PolarHBondContact O-N 3.13Å; V687-K690 PolarHBondContact O-N 3.45Å; K690-S692 VanDerWaalsContact C-N 3.34Å; K690-S692 PolarHBondContact O-N 2.97Å; K690-E693 PolarHBondContact O-N 3.34Å; K690-L694 WeakPolarHBondContact O-CG 3.44Å; K690-L694 PolarHBondContact O-N 2.93Å
691	I	86.3	Confident	81.2	Confident	41 Å²	41	81.1 Å²	81.1	21%	0.21	40%	0.401	C	S	.	.	H	α-helix	trans	-62.3	-41.5	175.3	-68.3	173.6	0	0	0	111.2	V596 V687 K689 E693 L694 K695	V596-I691 HydrophobicContact CG1-CD1 4.22Å; V596-I691 HydrophobicContact CG1-CG1 4.14Å; V687-I691 HydrophobicContact CG1-CD1 3.65Å; V687-I691 HydrophobicContact CG1-CG1 4.34Å; V687-I691 WeakPolarHBondContact O-CG1 3.3Å; V687-I691 PolarHBondContact O-N 2.97Å; K689-I691 PolarHBondContact O-N 2.89Å; I691-E693 VanDerWaalsContact C-N 3.34Å; I691-E693 PolarHBondContact O-N 3.23Å; I691-L694 PolarHBondContact O-N 3.46Å; I691-K695 HydrophobicContact CG2-CD 4.25Å; I691-K695 HydrophobicContact CG2-CG 4.47Å; I691-K695 WeakPolarHBondContact O-CG 3.42Å; I691-K695 PolarHBondContact O-N 3.37Å
692	S	88	Confident	80.8	Confident	59 Å²	59	81.2 Å²	81.2	41%	0.413	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-37.1	178.1	-65.1	0	0	0	0	112.4	E688 K689 K690 K695 K696	E688-S692 WeakPolarHBondContact O-CB 3.49Å; E688-S692 PolarHBondContact O-N 3.14Å; E688-S692 PolarHBondContact O-OG 2.84Å; K689-S692 WeakPolarHBondContact O-CB 3.43Å; K689-S692 PolarHBondContact O-N 3.13Å; K689-S692 VanDerWaalsContact O-N 3.17Å; K690-S692 VanDerWaalsContact C-N 3.34Å; K690-S692 PolarHBondContact O-N 2.97Å; S692-K695 PolarHBondContact O-N 3.32Å; S692-K696 WeakPolarHBondContact O-CG 3.47Å; S692-K696 PolarHBondContact O-N 3.36Å
693	E	86.9	Confident	80.8	Confident	92 Å²	92	79.6 Å²	79.6	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-64.7	-44.5	173.3	-72.6	171.4	-172.8	0	0	111.6	K689 K690 I691 K695 K696 N697	K689-E693 VanDerWaalsContact CE-OE1 3.31Å; K689-E693 WeakPolarHBondContact CE-OE1 2.92Å; K689-E693 WeakPolarHBondContact O-CG 3.17Å; K689-E693 PolarHBondContact O-N 3.12Å; K690-E693 PolarHBondContact O-N 3.34Å; I691-E693 VanDerWaalsContact C-N 3.34Å; I691-E693 PolarHBondContact O-N 3.23Å; E693-K695 VanDerWaalsContact C-N 3.34Å; E693-K695 PolarHBondContact O-N 3.36Å; E693-K696 WeakPolarHBondContact O-CB 3.43Å; E693-K696 PolarHBondContact O-N 2.99Å; E693-N697 PolarHBondContact O-N 3.34Å
694	L	83.1	Confident	81.1	Confident	39 Å²	39	78.9 Å²	78.9	20%	0.204	39%	0.391	C	S	.	.	H	α-helix	trans	-61.6	-40.7	173.7	-68.6	174.8	0	0	0	112	F592 V596 A599 K690 I691 K696 N697 R698	F592-L694 HydrophobicContact CE2-CB 3.94Å; V596-L694 HydrophobicContact CG2-CD1 3.9Å; A599-L694 HydrophobicContact CB-CD1 4.08Å; K690-L694 WeakPolarHBondContact O-CG 3.44Å; K690-L694 PolarHBondContact O-N 2.93Å; I691-L694 PolarHBondContact O-N 3.46Å; L694-K696 VanDerWaalsContact C-N 3.33Å; L694-K696 PolarHBondContact O-N 2.94Å; L694-N697 WeakPolarHBondContact O-CB 3.44Å; L694-N697 PolarHBondContact O-N 3.48Å; L694-N697 VanDerWaalsContact O-N 3.13Å; L694-R698 PolarHBondContact O-N 3.06Å
695	K	81.1	Confident	81.5	Confident	116 Å²	116	75.1 Å²	75.1	50%	0.504	38%	0.376	S	S	.	.	H	α-helix	trans	-63	-36.5	175	-76.4	178.5	-179.9	176.2	0	112.3	F592 I691 S692 E693 N697 R698 L699	F592-K695 HydrophobicContact CZ-CG 3.98Å; I691-K695 HydrophobicContact CG2-CD 4.25Å; I691-K695 HydrophobicContact CG2-CG 4.47Å; I691-K695 WeakPolarHBondContact O-CG 3.42Å; I691-K695 PolarHBondContact O-N 3.37Å; S692-K695 PolarHBondContact O-N 3.32Å; E693-K695 VanDerWaalsContact C-N 3.34Å; E693-K695 PolarHBondContact O-N 3.36Å; K695-N697 VanDerWaalsContact C-N 3.27Å; K695-N697 PolarHBondContact O-N 2.94Å; K695-R698 WeakPolarHBondContact O-CB 3.35Å; K695-R698 PolarHBondContact O-N 3.29Å; K695-R698 VanDerWaalsContact O-N 3.14Å; K695-L699 PolarHBondContact O-N 3.42Å
696	K	77.7	Confident	81.8	Confident	142 Å²	142	69.6 Å²	69.6	62%	0.617	35%	0.353	S	S	*	.	H	α-helix	trans	-61.6	-38.1	173.3	-74.2	174.4	-177.3	175.7	0	111.4	S692 E693 L694 R698 L699	S692-K696 WeakPolarHBondContact O-CG 3.47Å; S692-K696 PolarHBondContact O-N 3.36Å; E693-K696 WeakPolarHBondContact O-CB 3.43Å; E693-K696 PolarHBondContact O-N 2.99Å; L694-K696 VanDerWaalsContact C-N 3.33Å; L694-K696 PolarHBondContact O-N 2.94Å; K696-R698 VanDerWaalsContact C-N 3.34Å; K696-L699 PolarHBondContact O-N 3.3Å
697	N	69.8	Low	82.2	Confident	102 Å²	102	67.2 Å²	67.2	55%	0.545	34%	0.341	S	S	.	.	H	α-helix	trans	-69.5	-31.4	174.9	-67.8	-15.5	0	0	0	112.2	E693 L694 K695 L699 L700	E693-N697 PolarHBondContact O-N 3.34Å; L694-N697 WeakPolarHBondContact O-CB 3.44Å; L694-N697 PolarHBondContact O-N 3.48Å; L694-N697 VanDerWaalsContact O-N 3.13Å; K695-N697 VanDerWaalsContact C-N 3.27Å; K695-N697 PolarHBondContact O-N 2.94Å; N697-L699 VanDerWaalsContact C-N 3.27Å; N697-L699 PolarHBondContact O-N 3.22Å; N697-L700 HydrophobicContact CB-CD1 4.39Å; N697-L700 VanDerWaalsContact O-CB 3.25Å; N697-L700 WeakPolarHBondContact O-CB 3.33Å; N697-L700 WeakPolarHBondContact O-CD1 3.26Å; N697-L700 PolarHBondContact O-N 2.99Å
698	R	68.2	Low	82.6	Confident	94 Å²	94	67.7 Å²	67.7	36%	0.355	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-33	172	176.1	172.5	-178.6	172.7	6.2	113.2	F588 E589 F592 L694 K695 K696 L700	F588-R698 HydrophobicContact CE1-CG 3.79Å; F588-R698 HydrophobicContact CZ-CB 4.23Å; F588-R698 HydrophobicContact CZ-CG 3.94Å; E589-R698 IonicContact OE1-NH2 3.32Å; E589-R698 PolarHBondContact OE1-NH2 3.05Å; F592-R698 HydrophobicContact CE2-CB 4.4Å; L694-R698 PolarHBondContact O-N 3.06Å; K695-R698 WeakPolarHBondContact O-CB 3.35Å; K695-R698 PolarHBondContact O-N 3.29Å; K695-R698 VanDerWaalsContact O-N 3.14Å; K696-R698 VanDerWaalsContact C-N 3.34Å; R698-L700 PolarHBondContact O-N 3.46Å
699	L	62.2	Low	82.9	Confident	134 Å²	134	62.8 Å²	62.8	70%	0.702	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-5.9	180	-66.8	166.9	0	0	0	114	K695 K696 N697 C701	K695-L699 PolarHBondContact O-N 3.42Å; K696-L699 PolarHBondContact O-N 3.3Å; N697-L699 VanDerWaalsContact C-N 3.27Å; N697-L699 PolarHBondContact O-N 3.22Å; L699-C701 VanDerWaalsContact C-N 3.3Å; L699-C701 PolarHBondContact O-N 3.03Å
700	L	61	Low	83.1	Confident	58 Å²	58	58.3 Å²	58.3	30%	0.304	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.3	176.7	-91	154.5	0	0	0	113.9	R569 N697 R698	R569-L700 HydrophobicContact CG-CD2 4.26Å; N697-L700 HydrophobicContact CB-CD1 4.39Å; N697-L700 VanDerWaalsContact O-CB 3.25Å; N697-L700 WeakPolarHBondContact O-CB 3.33Å; N697-L700 WeakPolarHBondContact O-CD1 3.26Å; N697-L700 PolarHBondContact O-N 2.99Å; R698-L700 PolarHBondContact O-N 3.46Å
701	C	65.4	Low	83.5	Confident	49 Å²	49	55.9 Å²	55.9	33%	0.331	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	103.7	-177.4	-60.3	0	0	0	0	108.9	L568 L699	L568-C701 HydrophobicContact CD1-CB 4.17Å; L568-C701 WeakPolarHBondContact CD1-SG 3.36Å; L699-C701 VanDerWaalsContact C-N 3.3Å; L699-C701 PolarHBondContact O-N 3.03Å
702	S	80.6	Confident	83.8	Confident	57 Å²	57	54 Å²	54	40%	0.399	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.6	175.9	-176	0	0	0	0	109.6	E566 R567	E566-S702 CarbonylContact C-O 3.26Å; E566-S702 WeakPolarHBondContact CA-O 3.48Å; R567-S702 PolarHBondContact N-O 3.06Å; R567-S702 PolarHBondContact O-N 3.33Å
703	V	88.1	Confident	83.9	Confident	52 Å²	52	52.1 Å²	52.1	32%	0.315	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.5	172.8	-175.4	0	0	0	0	109.6	F564 L565 E566	F564-V703 HydrophobicContact CB-CG1 3.81Å; F564-V703 HydrophobicContact CD1-CG1 4.01Å; F564-V703 HydrophobicContact CG-CG1 4.38Å; L565-V703 CarbonylContact O-C 3.53Å; L565-V703 WeakPolarHBondContact O-CA 3.46Å; E566-V703 HydrophobicContact CB-CG2 4.35Å; E566-V703 HydrophobicContact CG-CG2 4.46Å
704	V	90.7	Very high	84	Confident	5 Å²	5	48 Å²	48	3%	0.03	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.2	-178.7	-177.7	0	0	0	0	109.9	L565 W730 R731	L565-V704 PolarHBondContact N-O 3.47Å; L565-V704 PolarHBondContact O-N 2.98Å; V704-W730 HydrophobicContact CG1-CE3 4.05Å; V704-R731 HydrophobicContact CG1-CG 3.95Å
705	P	93.2	Very high	84.1	Confident	37 Å²	37	50.9 Å²	50.9	24%	0.24	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	143.6	174.4	27.3	-29.1	0	0	0	111	V563 F564 R731	V563-P705 CarbonylContact O-C 3.58Å; F564-P705 HydrophobicContact CD1-CB 3.9Å; F564-P705 HydrophobicContact CE1-CB 3.73Å; F564-P705 HydrophobicContact CZ-CB 4.46Å; P705-R731 PolarHBondContact O-N 3.24Å
706	I	94.6	Very high	83.7	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	117.6	179.6	-48.1	171.5	0	0	0	107.7	V563 L565 L575 K708 N728 I729 W730	V563-I706 HydrophobicContact CG2-CB 3.95Å; V563-I706 PolarHBondContact N-O 3.31Å; V563-I706 PolarHBondContact O-N 3.39Å; L565-I706 HydrophobicContact CB-CD1 3.92Å; L575-I706 HydrophobicContact CD2-CD1 4.25Å; I706-K708 HydrophobicContact CG2-CG 4.26Å; I706-N728 HydrophobicContact CG2-CB 3.87Å; I706-I729 WeakPolarHBondContact CA-O 3.46Å; I706-W730 HydrophobicContact CD1-CE3 3.81Å; I706-W730 HydrophobicContact CD1-CH2 3.56Å; I706-W730 HydrophobicContact CD1-CZ2 4.36Å; I706-W730 HydrophobicContact CD1-CZ3 3.24Å; I706-W730 HydrophobicContact CG1-CD2 4.36Å; I706-W730 HydrophobicContact CG1-CE3 3.66Å; I706-W730 HydrophobicContact CG1-CH2 4.33Å; I706-W730 HydrophobicContact CG1-CZ3 3.65Å
707	L	96.1	Very high	83.2	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.7	168.7	-177.9	67	0	0	0	108.7	I559 Y560 L709 I729 A732 L737	I559-L707 HydrophobicContact CG2-CD1 4.29Å; Y560-L707 WeakPolarHBondContact O-CD1 3.38Å; L707-L709 HydrophobicContact CD2-CD2 4.45Å; L707-L709 HydrophobicContact CG-CD2 4.36Å; L707-I729 HydrophobicContact CB-CB 4.29Å; L707-I729 PolarHBondContact N-O 3.05Å; L707-I729 PolarHBondContact O-N 3.27Å; L707-A732 HydrophobicContact CB-CB 3.52Å; L707-A732 HydrophobicContact CD2-CB 4.47Å; L707-L737 HydrophobicContact CD2-CB 4.39Å; L707-L737 HydrophobicContact CD2-CD1 3.98Å
708	K	95.4	Very high	82.6	Confident	40 Å²	40	44.3 Å²	44.3	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.5	-179.1	-73	177.4	170.7	-78	0	109.7	Y560 V563 I706 I726 N728 L884	Y560-K708 WeakPolarHBondContact CB-O 3.44Å; Y560-K708 HydrophobicContact CD2-CB 4.07Å; Y560-K708 WeakPolarHBondContact CD2-O 3.36Å; Y560-K708 PolarHBondContact N-O 3.05Å; V563-K708 HydrophobicContact CG2-CD 3.89Å; V563-K708 HydrophobicContact CG2-CG 4.36Å; I706-K708 HydrophobicContact CG2-CG 4.26Å; K708-I726 HydrophobicContact CB-CG2 4.38Å; K708-I726 HydrophobicContact CG-CG2 4.41Å; K708-N728 WeakPolarHBondContact CG-OD1 3.5Å; K708-N728 PolarHBondContact NZ-OD1 2.85Å; K708-L884 HydrophobicContact CB-CD2 4.03Å; K708-L884 HydrophobicContact CD-CD2 3.5Å; K708-L884 HydrophobicContact CG-CD2 4.34Å
709	L	96.4	Very high	81.7	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.2	-179.7	-55.7	174.1	0	0	0	109.2	I556 R558 I559 L707 V711 I726 L727 I729 L741	I556-L709 HydrophobicContact CD1-CD1 4.42Å; R558-L709 CarbonylContact O-C 3.51Å; R558-L709 WeakPolarHBondContact O-CA 3.47Å; I559-L709 HydrophobicContact CB-CD2 3.93Å; I559-L709 HydrophobicContact CG1-CD2 3.68Å; I559-L709 HydrophobicContact CG2-CD2 3.76Å; L707-L709 HydrophobicContact CD2-CD2 4.45Å; L707-L709 HydrophobicContact CG-CD2 4.36Å; L709-V711 HydrophobicContact CB-CG1 4.05Å; L709-I726 CarbonylContact O-C 3.58Å; L709-I726 WeakPolarHBondContact O-CA 3.2Å; L709-L727 HydrophobicContact CB-CB 4.21Å; L709-L727 HydrophobicContact CD1-CD2 3.99Å; L709-L727 HydrophobicContact CD1-CG 4.37Å; L709-L727 PolarHBondContact N-O 2.72Å; L709-L727 PolarHBondContact O-N 2.88Å; L709-I729 HydrophobicContact CD1-CD1 3.61Å; L709-I729 HydrophobicContact CD1-CG1 4.17Å; L709-L741 HydrophobicContact CD1-CD1 3.94Å
710	R	94.6	Very high	81.3	Confident	41 Å²	41	43.3 Å²	43.3	16%	0.155	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124	166.6	-170.7	172	-77	-104.1	7.1	108.7	H557 R558 Y560 D724 Y725 I726 S807 E809	H557-R710 HydrophobicContact CB-CB 4.39Å; H557-R710 HydrophobicContact CB-CG 4.34Å; H557-R710 PolarHBondContact N-O 3.3Å; R558-R710 HydrophobicContact CB-CB 3.89Å; R558-R710 HydrophobicContact CG-CB 4.33Å; R558-R710 PolarHBondContact N-O 3.18Å; R558-R710 PolarHBondContact O-N 2.98Å; Y560-R710 HydrophobicContact CE2-CB 3.82Å; Y560-R710 PolarHBondContact OH-NE 3.37Å; R710-D724 WeakPolarHBondContact CD-OD2 3.48Å; R710-D724 HydrophobicContact CG-CB 4.03Å; R710-D724 IonicContact NH1-OD2 3.42Å; R710-D724 PolarHBondContact NH1-OD2 3.27Å; R710-D724 VanDerWaalsContact NH1-OD2 3.08Å; R710-Y725 WeakPolarHBondContact CA-O 3.32Å; R710-I726 HydrophobicContact CB-CD1 4.22Å; R710-I726 HydrophobicContact CG-CD1 4.38Å; R710-S807 WeakPolarHBondContact CD-OG 3.44Å; R710-E809 IonicContact CZ-OE1 2.75Å; R710-E809 IonicContact NE-OE1 3.29Å; R710-E809 PolarHBondContact NE-OE1 3.48Å; R710-E809 IonicContact NH2-OE1 2.95Å; R710-E809 PolarHBondContact NH2-OE1 3.2Å
711	V	94.7	Very high	81	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.3	-173.5	-59.5	0	0	0	0	111.6	L554 L555 I556 L709 Y725 L727 L764	L554-V711 HydrophobicContact CB-CB 4.39Å; L554-V711 HydrophobicContact CD1-CG2 4.22Å; L555-V711 WeakPolarHBondContact O-CA 3.5Å; I556-V711 HydrophobicContact CG1-CG1 4.27Å; L709-V711 HydrophobicContact CB-CG1 4.05Å; V711-Y725 PolarHBondContact N-O 3.28Å; V711-Y725 PolarHBondContact O-N 2.98Å; V711-L727 HydrophobicContact CG1-CB 4.14Å; V711-L727 HydrophobicContact CG1-CD2 4.49Å; V711-L727 HydrophobicContact CG2-CB 3.97Å; V711-L764 HydrophobicContact CG2-CD1 4.05Å
712	S	92.3	Very high	80.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	174.1	171.7	66.6	0	0	0	0	110.5	L554 L555 H557 C714	L554-S712 CarbonylContact C-O 3.5Å; L554-S712 VanDerWaalsContact CA-O 3.31Å; L554-S712 WeakPolarHBondContact CA-O 3.41Å; L555-S712 PolarHBondContact N-O 2.9Å; L555-S712 PolarHBondContact O-N 3.48Å; H557-S712 PolarHBondContact CD2-OG 2.96Å; H557-S712 VanDerWaalsContact NE2-CB 3.33Å; H557-S712 WeakPolarHBondContact NE2-CB 3.25Å; H557-S712 PolarHBondContact NE2-OG 3.5Å; S712-C714 PolarHBondContact O-N 3.4Å
713	D	90.8	Very high	80.4	Confident	21 Å²	21	50.9 Å²	50.9	11%	0.112	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	125.3	171	-164	-43	0	0	0	110.4	P538 L539 H715 A716	P538-D713 WeakPolarHBondContact CA-OD2 3.33Å; P538-D713 WeakPolarHBondContact CB-OD2 3.26Å; L539-D713 PolarHBondContact N-OD2 2.94Å; D713-H715 PolarHBondContact O-N 2.97Å; D713-H715 PolarHBondContact OD1-N 3.28Å; D713-A716 HydrophobicContact CB-CB 4.18Å; D713-A716 WeakPolarHBondContact O-CB 3.26Å; D713-A716 PolarHBondContact O-N 3.34Å
714	C	88.8	Confident	80.1	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.034	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.9	-175.9	77.8	0	0	0	0	113.8	D553 L555 S712 A746	D553-C714 WeakPolarHBondContact CB-SG 3.41Å; D553-C714 PolarHBondContact O-N 3.06Å; L555-C714 HydrophobicContact CB-CB 4.06Å; S712-C714 PolarHBondContact O-N 3.4Å; C714-A746 HydrophobicContact CB-CB 3.91Å
715	H	85.2	Confident	80.2	Confident	100 Å²	100	51.2 Å²	51.2	46%	0.463	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	11.3	178.9	-58.7	-66	0	0	0	112.1	D553 D713 V717 Y779	D553-H715 IonicContact OD2-CD2 2.73Å; D553-H715 IonicContact OD2-NE2 2.83Å; D553-H715 PolarHBondContact OD2-NE2 3.36Å; D553-H715 VanDerWaalsContact OD2-NE2 3.16Å; D713-H715 PolarHBondContact O-N 2.97Å; D713-H715 PolarHBondContact OD1-N 3.28Å; H715-V717 PolarHBondContact O-N 3.17Å; H715-Y779 PolarHBondContact CE1-O 2.95Å
716	A	72.8	Confident	80.2	Confident	22 Å²	22	50.3 Å²	50.3	18%	0.182	29%	0.285	C	S	.	.			trans	-61.6	126.1	173.9	0	0	0	0	0	110.2	D713	D713-A716 HydrophobicContact CB-CB 4.18Å; D713-A716 WeakPolarHBondContact O-CB 3.26Å; D713-A716 PolarHBondContact O-N 3.34Å
717	V	65.8	Low	80.3	Confident	98 Å²	98	50.3 Å²	50.3	59%	0.594	29%	0.285	S	S	*	.			trans	-80.3	134.4	169.7	-174.2	0	0	0	0	107.4	H715 T719 T720	H715-V717 PolarHBondContact O-N 3.17Å; V717-T719 PolarHBondContact O-N 3.02Å; V717-T720 PolarHBondContact O-N 2.98Å; V717-T720 PolarHBondContact O-OG1 3.47Å; V717-T720 VanDerWaalsContact O-OG1 3.1Å
718	S	57.1	Low	80.3	Confident	101 Å²	101	50.4 Å²	50.4	71%	0.706	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-17.7	-174.6	56.7	0	0	0	0	116.2	T720	S718-T720 VanDerWaalsContact C-N 3.34Å; S718-T720 PolarHBondContact O-N 3.19Å
719	T	50.6	Low	80.3	Confident	121 Å²	121	49.1 Å²	49.1	74%	0.742	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-19.7	177.7	47	0	0	0	0	114.9	V717	V717-T719 PolarHBondContact O-N 3.02Å
720	T	54.1	Low	80.1	Confident	86 Å²	86	53 Å²	53	53%	0.528	30%	0.295	S	S	.	.	S	Bend	trans	-95.3	124.1	173.5	50.6	0	0	0	0	108.8	V717 S718 S722	V717-T720 PolarHBondContact O-N 2.98Å; V717-T720 PolarHBondContact O-OG1 3.47Å; V717-T720 VanDerWaalsContact O-OG1 3.1Å; S718-T720 VanDerWaalsContact C-N 3.34Å; S718-T720 PolarHBondContact O-N 3.19Å; T720-S722 PolarHBondContact O-N 3.15Å
721	Q	53.8	Low	80	Confident	191 Å²	191	60.1 Å²	60.1	89%	0.893	32%	0.322	S	S	*	.			trans	-47.6	103.1	168.2	-83.7	176.2	-20.7	0	0	108.1	S723	Q721-S723 PolarHBondContact O-N 2.82Å
722	S	58.7	Low	79.6	Confident	55 Å²	55	60.7 Å²	60.7	39%	0.385	33%	0.327	S	S	.	.			trans	-68.5	106.1	-175.9	67.6	0	0	0	0	106.9	T720 D724	T720-S722 PolarHBondContact O-N 3.15Å; S722-D724 PolarHBondContact O-N 2.82Å
723	S	74.3	Confident	79.5	Confident	77 Å²	77	64.8 Å²	64.8	54%	0.538	35%	0.349	S	S	.	.			trans	-65.3	119.1	171.7	-53.7	0	0	0	0	107.1	Q721 Y725	Q721-S723 PolarHBondContact O-N 2.82Å; S723-Y725 WeakPolarHBondContact O-CD2 3.31Å; S723-Y725 WeakPolarHBondContact O-CE2 3.41Å
724	D	83.1	Confident	79.3	Confident	41 Å²	41	66.6 Å²	66.6	22%	0.219	36%	0.361	C	S	.	.			trans	-74.1	143	172.5	-72	-21.3	0	0	0	109.7	H557 R710 S722 S807	H557-D724 IonicContact CD2-OD1 3.94Å; H557-D724 IonicContact NE2-OD1 3.85Å; R710-D724 WeakPolarHBondContact CD-OD2 3.48Å; R710-D724 HydrophobicContact CG-CB 4.03Å; R710-D724 IonicContact NH1-OD2 3.42Å; R710-D724 PolarHBondContact NH1-OD2 3.27Å; R710-D724 VanDerWaalsContact NH1-OD2 3.08Å; S722-D724 PolarHBondContact O-N 2.82Å; D724-S807 PolarHBondContact OD2-OG 3Å
725	Y	91.6	Very high	79.3	Confident	24 Å²	24	73.8 Å²	73.8	9%	0.094	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.5	176.5	-60.6	-98.5	0	0	0	109.5	L539 R710 V711 S723 M754 T762	L539-Y725 HydrophobicContact CB-CD2 4.21Å; L539-Y725 HydrophobicContact CB-CE1 4.48Å; L539-Y725 HydrophobicContact CB-CE2 3.6Å; L539-Y725 HydrophobicContact CD1-CD1 4.42Å; L539-Y725 HydrophobicContact CD1-CD2 3.27Å; L539-Y725 HydrophobicContact CD1-CE2 3.57Å; L539-Y725 HydrophobicContact CD1-CG 3.75Å; L539-Y725 HydrophobicContact CG-CD2 4.38Å; L539-Y725 HydrophobicContact CG-CE2 4.26Å; R710-Y725 WeakPolarHBondContact CA-O 3.32Å; V711-Y725 PolarHBondContact N-O 3.28Å; V711-Y725 PolarHBondContact O-N 2.98Å; S723-Y725 WeakPolarHBondContact O-CD2 3.31Å; S723-Y725 WeakPolarHBondContact O-CE2 3.41Å; Y725-M754 HydrophobicContact CE1-CE 4.4Å; Y725-T762 HydrophobicContact CD1-CG2 3.79Å; Y725-T762 HydrophobicContact CE1-CG2 3.86Å
726	I	93.7	Very high	79.5	Confident	17 Å²	17	73.7 Å²	73.7	9%	0.087	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.7	172	-59.6	-60.9	0	0	0	109.3	Y560 K708 L709 R710 T762 C763 L764	Y560-I726 HydrophobicContact CE2-CD1 4.24Å; K708-I726 HydrophobicContact CB-CG2 4.38Å; K708-I726 HydrophobicContact CG-CG2 4.41Å; L709-I726 CarbonylContact O-C 3.58Å; L709-I726 WeakPolarHBondContact O-CA 3.2Å; R710-I726 HydrophobicContact CB-CD1 4.22Å; R710-I726 HydrophobicContact CG-CD1 4.38Å; I726-T762 PolarHBondContact N-O 3.23Å; I726-C763 CarbonylContact O-C 3.58Å; I726-C763 VanDerWaalsContact O-CA 3.28Å; I726-C763 WeakPolarHBondContact O-CA 3.4Å; I726-L764 PolarHBondContact O-N 3.02Å
727	L	96.2	Very high	80.4	Confident	6 Å²	6	73.5 Å²	73.5	3%	0.031	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.6	170.2	172.1	63.2	0	0	0	109.9	L554 L709 V711 I729 L752 L764 T766	L554-L727 HydrophobicContact CD1-CD2 4.1Å; L709-L727 HydrophobicContact CB-CB 4.21Å; L709-L727 HydrophobicContact CD1-CD2 3.99Å; L709-L727 HydrophobicContact CD1-CG 4.37Å; L709-L727 PolarHBondContact N-O 2.72Å; L709-L727 PolarHBondContact O-N 2.88Å; V711-L727 HydrophobicContact CG1-CB 4.14Å; V711-L727 HydrophobicContact CG1-CD2 4.49Å; V711-L727 HydrophobicContact CG2-CB 3.97Å; L727-I729 HydrophobicContact CG-CG1 4.39Å; L727-L752 HydrophobicContact CD1-CD1 4.35Å; L727-L752 HydrophobicContact CD1-CD2 3.76Å; L727-L764 CarbonylContact C-O 3.55Å; L727-L764 WeakPolarHBondContact CA-O 3.27Å; L727-L764 HydrophobicContact CB-CB 4.29Å; L727-L764 HydrophobicContact CD1-CB 3.79Å; L727-T766 HydrophobicContact CD1-CG2 4.15Å
728	N	95.7	Very high	81.5	Confident	10 Å²	10	72.1 Å²	72.1	5%	0.053	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.3	173.5	-56.1	-50.4	0	0	0	109.8	I706 K708 L764 N765 T766	I706-N728 HydrophobicContact CG2-CB 3.87Å; K708-N728 WeakPolarHBondContact CG-OD1 3.5Å; K708-N728 PolarHBondContact NZ-OD1 2.85Å; N728-L764 PolarHBondContact N-O 3.32Å; N728-N765 WeakPolarHBondContact CB-OD1 3.47Å; N728-N765 PolarHBondContact ND2-OD1 3.49Å; N728-T766 PolarHBondContact O-N 2.89Å; N728-T766 PolarHBondContact O-OG1 3.26Å
729	I	96.4	Very high	83	Confident	13 Å²	13	74.4 Å²	74.4	7%	0.067	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	108.8	169.2	-53	-176	0	0	0	108.3	I706 L707 L709 L727 A732 L737 L741 T766 I772	I706-I729 WeakPolarHBondContact CA-O 3.46Å; L707-I729 HydrophobicContact CB-CB 4.29Å; L707-I729 PolarHBondContact N-O 3.05Å; L707-I729 PolarHBondContact O-N 3.27Å; L709-I729 HydrophobicContact CD1-CD1 3.61Å; L709-I729 HydrophobicContact CD1-CG1 4.17Å; L727-I729 HydrophobicContact CG-CG1 4.39Å; I729-A732 HydrophobicContact CB-CB 4.41Å; I729-A732 HydrophobicContact CG2-CB 4.04Å; I729-L737 HydrophobicContact CD1-CD1 4.29Å; I729-L737 HydrophobicContact CG2-CD1 4.04Å; I729-L741 HydrophobicContact CD1-CD1 3.7Å; I729-T766 HydrophobicContact CB-CG2 4.15Å; I729-T766 HydrophobicContact CG1-CG2 3.79Å; I729-T766 HydrophobicContact CG2-CG2 4.2Å; I729-I772 HydrophobicContact CD1-CD1 4.17Å
730	W	92.9	Very high	85	Confident	83 Å²	83	74.1 Å²	74.1	31%	0.314	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	140.7	-178.9	-62.4	87.2	0	0	0	111.5	L565 V704 I706 A732 N765 T766	L565-W730 HydrophobicContact CD2-CH2 4.26Å; L565-W730 HydrophobicContact CD2-CZ3 3.92Å; V704-W730 HydrophobicContact CG1-CE3 4.05Å; I706-W730 HydrophobicContact CD1-CE3 3.81Å; I706-W730 HydrophobicContact CD1-CH2 3.56Å; I706-W730 HydrophobicContact CD1-CZ2 4.36Å; I706-W730 HydrophobicContact CD1-CZ3 3.24Å; I706-W730 HydrophobicContact CG1-CD2 4.36Å; I706-W730 HydrophobicContact CG1-CE3 3.66Å; I706-W730 HydrophobicContact CG1-CH2 4.33Å; I706-W730 HydrophobicContact CG1-CZ3 3.65Å; W730-A732 PolarHBondContact O-N 3.14Å; W730-N765 PolarHBondContact NE1-OD1 2.91Å; W730-N765 VanDerWaalsContact NE1-OD1 3.13Å; W730-T766 PolarHBondContact N-OG1 2.97Å
731	R	92.2	Very high	87	Confident	190 Å²	190	70.5 Å²	70.5	72%	0.717	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	41.5	-179.1	-57.4	175.7	-174.3	-100.2	0.5	111.8	V704 P705 D733	V704-R731 HydrophobicContact CG1-CG 3.95Å; P705-R731 PolarHBondContact O-N 3.24Å; R731-D733 PolarHBondContact O-N 3.42Å
732	A	85.9	Confident	89	Confident	13 Å²	13	65.5 Å²	65.5	11%	0.107	32%	0.322	C	S	.	.			trans	-64.5	126.2	-178.2	0	0	0	0	0	110.7	L707 I729 W730 V734 L737	L707-A732 HydrophobicContact CB-CB 3.52Å; L707-A732 HydrophobicContact CD2-CB 4.47Å; I729-A732 HydrophobicContact CB-CB 4.41Å; I729-A732 HydrophobicContact CG2-CB 4.04Å; W730-A732 PolarHBondContact O-N 3.14Å; A732-V734 HydrophobicContact CB-CG2 4.47Å; A732-V734 PolarHBondContact O-N 2.83Å; A732-L737 HydrophobicContact CB-CD1 3.78Å
733	D	89.5	Confident	90.8	Very high	87 Å²	87	65.5 Å²	65.5	47%	0.465	32%	0.317	S	S	.	.			trans	-77.2	98.4	158.7	-169.5	-36.2	0	0	0	107.2	R731 E735 E736 L737	R731-D733 PolarHBondContact O-N 3.42Å; D733-E735 VanDerWaalsContact C-N 3.26Å; D733-E735 PolarHBondContact O-N 2.93Å; D733-E735 PolarHBondContact OD1-N 3.22Å; D733-E736 HydrophobicContact CB-CB 4.02Å; D733-E736 PolarHBondContact OD1-N 2.83Å; D733-E736 VanDerWaalsContact OD1-N 3.08Å; D733-L737 VanDerWaalsContact O-CB 3.28Å; D733-L737 WeakPolarHBondContact O-CB 3.5Å; D733-L737 WeakPolarHBondContact O-CG 3.42Å; D733-L737 PolarHBondContact O-N 2.79Å
734	V	87.7	Confident	91.8	Very high	58 Å²	58	62.4 Å²	62.4	35%	0.352	30%	0.297	S	S	.	.	H	α-helix	trans	-67	-32.8	-173.1	-178.7	0	0	0	0	110.7	P562 A732 S738	P562-V734 HydrophobicContact CB-CG2 4.05Å; P562-V734 HydrophobicContact CG-CG2 4.22Å; A732-V734 HydrophobicContact CB-CG2 4.47Å; A732-V734 PolarHBondContact O-N 2.83Å; V734-S738 VanDerWaalsContact O-CB 3.25Å; V734-S738 WeakPolarHBondContact O-CB 3.39Å; V734-S738 PolarHBondContact O-N 2.96Å
735	E	87.8	Confident	92.4	Very high	156 Å²	156	62.8 Å²	62.8	73%	0.729	30%	0.297	S	S	*	.	H	α-helix	trans	-67.9	-51.6	179.1	-65.8	-175.7	176.4	0	0	110.1	D733 L737 S738 H739	D733-E735 VanDerWaalsContact C-N 3.26Å; D733-E735 PolarHBondContact O-N 2.93Å; D733-E735 PolarHBondContact OD1-N 3.22Å; E735-L737 VanDerWaalsContact C-N 3.33Å; E735-L737 PolarHBondContact O-N 3.28Å; E735-S738 PolarHBondContact O-N 2.84Å; E735-S738 PolarHBondContact O-OG 3.31Å; E735-H739 PolarHBondContact O-CD2 2.94Å; E735-H739 VanDerWaalsContact O-CD2 3.25Å
736	E	89.9	Confident	92.7	Very high	98 Å²	98	61.7 Å²	61.7	46%	0.458	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-44.2	177.2	-165.3	-149.3	140.5	0	0	111.7	D733 S738 R740	D733-E736 HydrophobicContact CB-CB 4.02Å; D733-E736 PolarHBondContact OD1-N 2.83Å; D733-E736 VanDerWaalsContact OD1-N 3.08Å; E736-S738 VanDerWaalsContact C-N 3.35Å; E736-S738 PolarHBondContact O-N 2.86Å; E736-R740 WeakPolarHBondContact OE1-CD 3.18Å; E736-R740 IonicContact OE1-CZ 3.31Å; E736-R740 IonicContact OE1-NH1 3.55Å; E736-R740 PolarHBondContact OE1-NH1 2.72Å
737	L	91.8	Very high	92.8	Very high	18 Å²	18	61.1 Å²	61.1	9%	0.094	29%	0.289	C	S	.	.	H	α-helix	trans	-72.2	-27.8	-177	-69.5	174	0	0	0	112.9	L707 I729 A732 D733 E735 H739 R740 L741	L707-L737 HydrophobicContact CD2-CB 4.39Å; L707-L737 HydrophobicContact CD2-CD1 3.98Å; I729-L737 HydrophobicContact CD1-CD1 4.29Å; I729-L737 HydrophobicContact CG2-CD1 4.04Å; A732-L737 HydrophobicContact CB-CD1 3.78Å; D733-L737 VanDerWaalsContact O-CB 3.28Å; D733-L737 WeakPolarHBondContact O-CB 3.5Å; D733-L737 WeakPolarHBondContact O-CG 3.42Å; D733-L737 PolarHBondContact O-N 2.79Å; E735-L737 VanDerWaalsContact C-N 3.33Å; E735-L737 PolarHBondContact O-N 3.28Å; L737-H739 PolarHBondContact O-N 2.84Å; L737-R740 PolarHBondContact O-N 2.71Å; L737-R740 VanDerWaalsContact O-N 3.08Å; L737-L741 HydrophobicContact CB-CD1 4.34Å; L737-L741 HydrophobicContact CD2-CD1 4.08Å; L737-L741 HydrophobicContact CD2-CG 4.31Å; L737-L741 PolarHBondContact O-N 3.16Å
738	S	87.8	Confident	92.8	Very high	69 Å²	69	64.3 Å²	64.3	48%	0.483	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-32.8	179.1	72.6	0	0	0	0	112.7	V734 E735 E736	V734-S738 VanDerWaalsContact O-CB 3.25Å; V734-S738 WeakPolarHBondContact O-CB 3.39Å; V734-S738 PolarHBondContact O-N 2.96Å; E735-S738 PolarHBondContact O-N 2.84Å; E735-S738 PolarHBondContact O-OG 3.31Å; E736-S738 VanDerWaalsContact C-N 3.35Å; E736-S738 PolarHBondContact O-N 2.86Å
739	H	88.8	Confident	92.9	Very high	149 Å²	149	64 Å²	64	69%	0.69	30%	0.299	S	S	*	.	H	α-helix	trans	-79.8	-25.7	176.3	-61.1	-63.1	0	0	0	112.8	E735 L737	E735-H739 PolarHBondContact O-CD2 2.94Å; E735-H739 VanDerWaalsContact O-CD2 3.25Å; L737-H739 PolarHBondContact O-N 2.84Å
740	R	93.4	Very high	92.8	Very high	116 Å²	116	64.7 Å²	64.7	44%	0.438	30%	0.302	S	S	.	.	H	α-helix	trans	-95.6	-36.3	-173.5	-66.9	178.5	60.7	-165.5	-4.2	113.9	E736 L737 Y747	E736-R740 WeakPolarHBondContact OE1-CD 3.18Å; E736-R740 IonicContact OE1-CZ 3.31Å; E736-R740 IonicContact OE1-NH1 3.55Å; E736-R740 PolarHBondContact OE1-NH1 2.72Å; L737-R740 PolarHBondContact O-N 2.71Å; L737-R740 VanDerWaalsContact O-N 3.08Å; R740-Y747 WeakPolarHBondContact O-CE1 3.36Å; R740-Y747 PolarHBondContact O-OH 2.92Å
741	L	96.6	Very high	92.9	Very high	10 Å²	10	63 Å²	63	5%	0.052	30%	0.299	C	S	.	.			trans	-104.8	125.3	-176.2	-58.7	-175.9	0	0	0	110.1	I556 I559 L709 I729 L737 Y747 I772	I556-L741 HydrophobicContact CD1-CB 4.2Å; I556-L741 HydrophobicContact CD1-CD2 4.18Å; I559-L741 HydrophobicContact CD1-CB 4.25Å; I559-L741 VanDerWaalsContact CD1-O 3.31Å; I559-L741 WeakPolarHBondContact CD1-O 3.45Å; L709-L741 HydrophobicContact CD1-CD1 3.94Å; I729-L741 HydrophobicContact CD1-CD1 3.7Å; L737-L741 HydrophobicContact CB-CD1 4.34Å; L737-L741 HydrophobicContact CD2-CD1 4.08Å; L737-L741 HydrophobicContact CD2-CG 4.31Å; L737-L741 PolarHBondContact O-N 3.16Å; L741-Y747 WeakPolarHBondContact CA-OH 3.43Å; L741-Y747 HydrophobicContact CD2-CD1 4.01Å; L741-Y747 HydrophobicContact CD2-CE1 3.72Å; L741-Y747 HydrophobicContact CD2-CE2 4.35Å; L741-Y747 HydrophobicContact CD2-CG 4.44Å; L741-I772 HydrophobicContact CD2-CG2 4.03Å
742	Q	95.5	Very high	93	Very high	85 Å²	85	54 Å²	54	40%	0.397	27%	0.265	S	S	.	.			trans	-131.5	143.8	179.1	-56.9	178.3	0.1	0	0	110.9	K745 Y747	Q742-K745 HydrophobicContact CB-CD 3.94Å; Q742-K745 HydrophobicContact CB-CG 4.13Å; Q742-K745 HydrophobicContact CG-CD 4.42Å; Q742-K745 PolarHBondContact O-N 2.99Å; Q742-Y747 PolarHBondContact N-OH 2.95Å
743	E	95.5	Very high	93.5	Very high	56 Å²	56	59 Å²	59	26%	0.262	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	140.8	171.4	-64.1	-174.9	171.4	0	0	110.4	R558 I559 K745 F787 R790	R558-E743 WeakPolarHBondContact CA-OE1 3.37Å; I559-E743 HydrophobicContact CB-CG 4.28Å; I559-E743 HydrophobicContact CD1-CG 4.13Å; I559-E743 HydrophobicContact CG1-CG 3.77Å; I559-E743 PolarHBondContact N-OE1 3.02Å; E743-K745 PolarHBondContact O-N 3Å; E743-F787 HydrophobicContact CB-CE2 4.21Å; E743-F787 HydrophobicContact CB-CZ 4.33Å; E743-R790 VanDerWaalsContact CD-NE 3.32Å; E743-R790 IonicContact OE1-CZ 3.74Å; E743-R790 VanDerWaalsContact OE1-CZ 3.29Å; E743-R790 IonicContact OE1-NE 3.91Å; E743-R790 PolarHBondContact OE1-NE 3.13Å; E743-R790 IonicContact OE1-NH2 2.8Å; E743-R790 PolarHBondContact OE1-NH2 3.46Å; E743-R790 WeakPolarHBondContact OE2-CD 3.29Å; E743-R790 IonicContact OE2-CZ 3.63Å; E743-R790 IonicContact OE2-NE 3.72Å; E743-R790 PolarHBondContact OE2-NE 2.94Å
744	G	95.2	Very high	93.6	Very high	12 Å²	12	55.2 Å²	55.2	12%	0.124	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-4.5	-178.2	0	0	0	0	0	114.7	I556	I556-G744 PolarHBondContact O-N 3.45Å
745	K	96.6	Very high	93.7	Very high	49 Å²	49	53.9 Å²	53.9	21%	0.213	26%	0.257	C	S	.	.			trans	-97.2	149.5	175.2	-68.5	-164.5	173.1	-175.7	0	112.6	I556 Q742 E743 Y747 E774 Y780	I556-K745 PolarHBondContact N-O 2.83Å; Q742-K745 HydrophobicContact CB-CD 3.94Å; Q742-K745 HydrophobicContact CB-CG 4.13Å; Q742-K745 HydrophobicContact CG-CD 4.42Å; Q742-K745 PolarHBondContact O-N 2.99Å; E743-K745 PolarHBondContact O-N 3Å; K745-Y747 HydrophobicContact CB-CE2 3.61Å; K745-E774 HydrophobicContact CD-CG 4.41Å; K745-E774 VanDerWaalsContact CD-OE1 3.29Å; K745-E774 WeakPolarHBondContact CD-OE1 3.45Å; K745-E774 WeakPolarHBondContact CE-OE1 3.27Å; K745-E774 IonicContact NZ-OE1 3.16Å; K745-E774 PolarHBondContact NZ-OE1 2.87Å; K745-E774 IonicContact NZ-OE2 2.72Å; K745-E774 PolarHBondContact NZ-OE2 3.39Å; K745-Y780 WeakPolarHBondContact CA-OH 3.3Å
746	A	96.6	Very high	93.3	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	144.7	175.7	0	0	0	0	0	112.3	L554 L555 C714 L775 Y780	L554-A746 CarbonylContact O-C 3.52Å; L554-A746 WeakPolarHBondContact O-CA 3.47Å; L555-A746 HydrophobicContact CD1-CB 4.18Å; C714-A746 HydrophobicContact CB-CB 3.91Å; A746-L775 HydrophobicContact CB-CB 4.32Å; A746-L775 HydrophobicContact CB-CD1 4.03Å; A746-L775 WeakPolarHBondContact O-CB 3.05Å; A746-L775 PolarHBondContact O-N 3.46Å; A746-Y780 HydrophobicContact CB-CD1 3.64Å; A746-Y780 HydrophobicContact CB-CD2 3.63Å; A746-Y780 HydrophobicContact CB-CE1 3.67Å; A746-Y780 HydrophobicContact CB-CE2 3.66Å; A746-Y780 HydrophobicContact CB-CG 3.62Å; A746-Y780 PolarHBondContact N-OH 3.2Å
747	Y	97.4	Very high	92	Very high	6 Å²	6	53.7 Å²	53.7	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.5	-176.1	-64.1	-95.3	0	0	0	110.6	D553 L554 I556 R740 L741 Q742 K745 I772 Q773 E774	D553-Y747 WeakPolarHBondContact CA-O 3.39Å; L554-Y747 PolarHBondContact N-O 3.04Å; L554-Y747 PolarHBondContact O-N 3.32Å; I556-Y747 HydrophobicContact CD1-CD2 3.48Å; I556-Y747 VanDerWaalsContact CD1-CD2 3.48Å; I556-Y747 HydrophobicContact CD1-CE2 3.4Å; I556-Y747 HydrophobicContact CD1-CG 4.46Å; I556-Y747 HydrophobicContact CG1-CD2 3.8Å; I556-Y747 HydrophobicContact CG1-CE2 4Å; R740-Y747 WeakPolarHBondContact O-CE1 3.36Å; R740-Y747 PolarHBondContact O-OH 2.92Å; L741-Y747 WeakPolarHBondContact CA-OH 3.43Å; L741-Y747 HydrophobicContact CD2-CD1 4.01Å; L741-Y747 HydrophobicContact CD2-CE1 3.72Å; L741-Y747 HydrophobicContact CD2-CE2 4.35Å; L741-Y747 HydrophobicContact CD2-CG 4.44Å; Q742-Y747 PolarHBondContact N-OH 2.95Å; K745-Y747 HydrophobicContact CB-CE2 3.61Å; Y747-I772 HydrophobicContact CD1-CG2 3.7Å; Y747-I772 HydrophobicContact CG-CG2 4.05Å; Y747-Q773 CarbonylContact C-O 3.58Å; Y747-Q773 VanDerWaalsContact CA-O 3.27Å; Y747-Q773 WeakPolarHBondContact CA-O 3.3Å; Y747-E774 HydrophobicContact CD1-CB 3.94Å; Y747-E774 HydrophobicContact CD1-CG 4.48Å; Y747-E774 HydrophobicContact CE1-CB 3.68Å; Y747-E774 HydrophobicContact CE1-CG 4.02Å
748	R	96.4	Very high	90.5	Very high	73 Å²	73	56 Å²	56	28%	0.275	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.3	166.6	177.8	159.6	-71.1	161.2	7.7	109.4	L551 D553 Q773 L775	L551-R748 HydrophobicContact CD1-CG 3.31Å; L551-R748 HydrophobicContact CG-CG 4.2Å; D553-R748 WeakPolarHBondContact OD1-CA 3.46Å; D553-R748 WeakPolarHBondContact OD1-CB 3.4Å; D553-R748 WeakPolarHBondContact OD1-CG 3.33Å; D553-R748 IonicContact OD1-CZ 3.82Å; D553-R748 IonicContact OD1-NE 3.94Å; D553-R748 PolarHBondContact OD1-NE 3.03Å; D553-R748 IonicContact OD1-NH2 3.16Å; D553-R748 PolarHBondContact OD1-NH2 3.14Å; D553-R748 IonicContact OD2-CZ 2.81Å; D553-R748 IonicContact OD2-NE 3.96Å; D553-R748 IonicContact OD2-NH2 3.95Å; D553-R748 PolarHBondContact OD2-NH2 2.92Å; R748-Q773 HydrophobicContact CB-CB 4.48Å; R748-Q773 PolarHBondContact N-O 3.47Å; R748-Q773 PolarHBondContact O-N 3.16Å; R748-L775 HydrophobicContact CB-CD2 3.94Å; R748-L775 HydrophobicContact CB-CG 4.27Å
749	V	96.8	Very high	88.8	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.3	-176.4	-167.1	0	0	0	0	111.3	L551 T552 L554 L752 T770 K771 I772	L551-V749 WeakPolarHBondContact CA-O 3.36Å; L551-V749 WeakPolarHBondContact CD1-O 3.31Å; T552-V749 PolarHBondContact N-O 3.32Å; T552-V749 PolarHBondContact O-N 3.26Å; L554-V749 HydrophobicContact CD1-CB 4.24Å; L554-V749 HydrophobicContact CD1-CG2 3.8Å; L554-V749 HydrophobicContact CG-CG2 4.15Å; V749-L752 HydrophobicContact CB-CD1 4.01Å; V749-L752 HydrophobicContact CB-CG 4.42Å; V749-L752 HydrophobicContact CG1-CD1 3.65Å; V749-L752 HydrophobicContact CG1-CD2 3.64Å; V749-L752 HydrophobicContact CG1-CG 3.62Å; V749-T770 HydrophobicContact CG1-CG2 3.83Å; V749-K771 WeakPolarHBondContact CA-O 3.45Å; V749-I772 HydrophobicContact CG1-CG1 3.94Å; V749-I772 HydrophobicContact CG2-CG1 4.27Å; V749-I772 HydrophobicContact CG2-CG2 4.29Å
750	H	94.8	Very high	87.3	Confident	29 Å²	29	60.9 Å²	60.9	13%	0.134	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	148.4	178.2	-69.5	-91.2	0	0	0	111.7	F550 L551 L752 T770 K771	F550-H750 WeakPolarHBondContact O-CA 3.38Å; L551-H750 WeakPolarHBondContact CD1-CE1 3.31Å; L551-H750 WeakPolarHBondContact CD1-ND1 3.3Å; L551-H750 WeakPolarHBondContact CD1-NE2 3.47Å; H750-L752 PolarHBondContact O-N 3Å; H750-T770 VanDerWaalsContact O-CA 3.31Å; H750-T770 WeakPolarHBondContact O-CA 3.3Å; H750-T770 WeakPolarHBondContact O-CG2 3.45Å; H750-K771 HydrophobicContact CB-CB 4.17Å; H750-K771 PolarHBondContact N-O 2.96Å
751	N	94.1	Very high	86.2	Confident	48 Å²	48	58.8 Å²	58.8	26%	0.257	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53	58.4	165	-162.6	27.4	0	0	0	114.2	F548 V549 F550 T767 T770	F548-N751 WeakPolarHBondContact CD1-OD1 3.49Å; F548-N751 WeakPolarHBondContact CG-OD1 3.46Å; V549-N751 CarbonylContact O-C 3.59Å; V549-N751 WeakPolarHBondContact O-CA 3.43Å; V549-N751 PolarHBondContact O-N 3.13Å; V549-N751 VanDerWaalsContact O-N 3.09Å; F550-N751 PolarHBondContact O-N 3.44Å; F550-N751 VanDerWaalsContact O-N 3.1Å; N751-T767 PolarHBondContact ND2-OG1 2.95Å; N751-T767 VanDerWaalsContact ND2-OG1 3.16Å; N751-T767 WeakPolarHBondContact O-CG2 3.5Å; N751-T767 PolarHBondContact O-OG1 3.39Å; N751-T770 PolarHBondContact O-OG1 3.45Å
752	L	95.7	Very high	85.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	158.8	173.4	-65.4	173.5	0	0	0	111.3	F548 V549 T552 L554 L727 V749 H750 L764 T766 T770	F548-L752 CarbonylContact C-O 3.52Å; F548-L752 WeakPolarHBondContact CA-O 3.32Å; V549-L752 HydrophobicContact CB-CB 4.1Å; V549-L752 HydrophobicContact CG2-CB 4.47Å; V549-L752 PolarHBondContact N-O 3.2Å; V549-L752 PolarHBondContact O-N 3.36Å; T552-L752 HydrophobicContact CG2-CD1 4.06Å; L554-L752 HydrophobicContact CD1-CD1 4.06Å; L727-L752 HydrophobicContact CD1-CD1 4.35Å; L727-L752 HydrophobicContact CD1-CD2 3.76Å; V749-L752 HydrophobicContact CB-CD1 4.01Å; V749-L752 HydrophobicContact CB-CG 4.42Å; V749-L752 HydrophobicContact CG1-CD1 3.65Å; V749-L752 HydrophobicContact CG1-CD2 3.64Å; V749-L752 HydrophobicContact CG1-CG 3.62Å; H750-L752 PolarHBondContact O-N 3Å; L752-L764 HydrophobicContact CD1-CB 4.41Å; L752-L764 HydrophobicContact CD1-CD1 4.32Å; L752-T766 HydrophobicContact CD2-CG2 4.22Å; L752-T770 HydrophobicContact CD2-CG2 4Å
753	K	94.6	Very high	85.4	Confident	119 Å²	119	55.7 Å²	55.7	52%	0.517	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.1	169	-174.8	177.1	-178.9	178.1	0	110.3	F548 L764 N765 T767	F548-K753 HydrophobicContact CD1-CB 4.49Å; K753-L764 CarbonylContact O-C 3.55Å; K753-N765 HydrophobicContact CB-CB 4.5Å; K753-N765 PolarHBondContact N-O 3.3Å; K753-N765 PolarHBondContact O-N 3.21Å; K753-N765 PolarHBondContact O-ND2 3.25Å; K753-T767 HydrophobicContact CB-CG2 4.29Å
754	M	93.5	Very high	85.4	Confident	7 Å²	7	53 Å²	53	3%	0.034	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.8	178.4	-168.7	173.4	153	0	0	110.9	L542 P544 R545 V549 Y725 T762 C763 L764	L542-M754 HydrophobicContact CB-CE 4.36Å; L542-M754 HydrophobicContact CB-SD 3.57Å; L542-M754 VanDerWaalsContact CB-SD 3.57Å; L542-M754 WeakPolarHBondContact O-CE 3.49Å; P544-M754 HydrophobicContact CB-CE 4.3Å; P544-M754 HydrophobicContact CB-CG 4.17Å; P544-M754 VanDerWaalsContact CD-CE 3.44Å; P544-M754 HydrophobicContact CG-CE 3.95Å; R545-M754 PolarHBondContact N-O 2.88Å; V549-M754 HydrophobicContact CG2-CB 4.28Å; Y725-M754 HydrophobicContact CE1-CE 4.4Å; M754-T762 HydrophobicContact CE-CG2 3.36Å; M754-T762 HydrophobicContact CG-CG2 3.68Å; M754-T762 HydrophobicContact SD-CG2 4.2Å; M754-C763 WeakPolarHBondContact CA-O 3.39Å; M754-L764 HydrophobicContact CB-CD2 4.01Å; M754-L764 HydrophobicContact CG-CD2 3.96Å; M754-L764 HydrophobicContact SD-CD2 4.39Å
755	S	88.9	Confident	85.4	Confident	30 Å²	30	53.4 Å²	53.4	21%	0.21	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.5	-176.9	57	0	0	0	0	110.8	C763 N765	S755-C763 PolarHBondContact N-O 3.22Å; S755-C763 PolarHBondContact O-N 3.32Å; S755-C763 VanDerWaalsContact O-O 3.08Å; S755-C763 PolarHBondContact OG-O 3.06Å; S755-N765 PolarHBondContact OG-ND2 2.95Å
756	H	79.2	Confident	85.4	Confident	94 Å²	94	52.2 Å²	52.2	44%	0.435	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	140.1	164.7	-78.5	-40.2	0	0	0	110.3	P544 T762	P544-H756 VanDerWaalsContact CG-CD2 3.41Å; P544-H756 WeakPolarHBondContact CG-CD2 3.35Å; P544-H756 WeakPolarHBondContact CG-CE1 3.34Å; P544-H756 WeakPolarHBondContact CG-NE2 3.36Å; H756-T762 PolarHBondContact CE1-OG1 2.87Å; H756-T762 PolarHBondContact ND1-OG1 3.1Å
757	F	62.4	Low	85.3	Confident	156 Å²	156	53.9 Å²	53.9	68%	0.684	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.4	168	-154.2	-87.8	0	0	0	107.7	T761	F757-T761 PolarHBondContact N-O 3.09Å
758	G	61.3	Low	85	Confident	67 Å²	67	61.3 Å²	61.3	69%	0.691	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-146.5	-174.3	0	0	0	0	0	113.2
759	T	51.8	Low	84.8	Confident	141 Å²	141	59.7 Å²	59.7	87%	0.865	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-19	-168.9	44.7	0	0	0	0	115.2
760	E	57.1	Low	84.7	Confident	178 Å²	178	61 Å²	61	83%	0.832	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	-41.1	-165.2	-65.7	-175.2	175.8	0	0	115.4
761	T	71.1	Confident	84.7	Confident	72 Å²	72	66.9 Å²	66.9	44%	0.442	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.5	-172.5	49.7	0	0	0	0	113.5	F757	F757-T761 PolarHBondContact N-O 3.09Å
762	T	83.3	Confident	84.8	Confident	23 Å²	23	66.2 Å²	66.2	14%	0.141	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126	171.3	-55.9	0	0	0	0	110	Y725 I726 M754 H756	Y725-T762 HydrophobicContact CD1-CG2 3.79Å; Y725-T762 HydrophobicContact CE1-CG2 3.86Å; I726-T762 PolarHBondContact N-O 3.23Å; M754-T762 HydrophobicContact CE-CG2 3.36Å; M754-T762 HydrophobicContact CG-CG2 3.68Å; M754-T762 HydrophobicContact SD-CG2 4.2Å; H756-T762 PolarHBondContact CE1-OG1 2.87Å; H756-T762 PolarHBondContact ND1-OG1 3.1Å
763	C	91.5	Very high	84.8	Confident	7 Å²	7	71.9 Å²	71.9	5%	0.047	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.8	-178.5	-62.7	0	0	0	0	111.1	I726 M754 S755	I726-C763 CarbonylContact O-C 3.58Å; I726-C763 VanDerWaalsContact O-CA 3.28Å; I726-C763 WeakPolarHBondContact O-CA 3.4Å; M754-C763 WeakPolarHBondContact CA-O 3.39Å; S755-C763 PolarHBondContact N-O 3.22Å; S755-C763 PolarHBondContact O-N 3.32Å; S755-C763 VanDerWaalsContact O-O 3.08Å; S755-C763 PolarHBondContact OG-O 3.06Å
764	L	95.3	Very high	84.9	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141.2	166.2	-60	168.9	0	0	0	108.3	L539 L554 V711 I726 L727 N728 L752 K753 M754	L539-L764 HydrophobicContact CD1-CD1 4.05Å; L539-L764 HydrophobicContact CD2-CD1 3.9Å; L539-L764 HydrophobicContact CD2-CD2 4.26Å; L554-L764 HydrophobicContact CD1-CD1 4.22Å; L554-L764 HydrophobicContact CD2-CD1 4.45Å; V711-L764 HydrophobicContact CG2-CD1 4.05Å; I726-L764 PolarHBondContact O-N 3.02Å; L727-L764 CarbonylContact C-O 3.55Å; L727-L764 WeakPolarHBondContact CA-O 3.27Å; L727-L764 HydrophobicContact CB-CB 4.29Å; L727-L764 HydrophobicContact CD1-CB 3.79Å; N728-L764 PolarHBondContact N-O 3.32Å; L752-L764 HydrophobicContact CD1-CB 4.41Å; L752-L764 HydrophobicContact CD1-CD1 4.32Å; K753-L764 CarbonylContact O-C 3.55Å; M754-L764 HydrophobicContact CB-CD2 4.01Å; M754-L764 HydrophobicContact CG-CD2 3.96Å; M754-L764 HydrophobicContact SD-CD2 4.39Å
765	N	95.4	Very high	85	Confident	21 Å²	21	70.3 Å²	70.3	11%	0.112	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.9	178.3	-60.8	-80.7	0	0	0	109.7	N728 W730 K753 S755	N728-N765 WeakPolarHBondContact CB-OD1 3.47Å; N728-N765 PolarHBondContact ND2-OD1 3.49Å; W730-N765 PolarHBondContact NE1-OD1 2.91Å; W730-N765 VanDerWaalsContact NE1-OD1 3.13Å; K753-N765 HydrophobicContact CB-CB 4.5Å; K753-N765 PolarHBondContact N-O 3.3Å; K753-N765 PolarHBondContact O-N 3.21Å; K753-N765 PolarHBondContact O-ND2 3.25Å; S755-N765 PolarHBondContact OG-ND2 2.95Å
766	T	96.3	Very high	85.3	Confident	23 Å²	23	71.4 Å²	71.4	14%	0.141	40%	0.399	C	S	.	.			trans	-67.8	157.2	168.8	62.1	0	0	0	0	111.4	L727 N728 I729 W730 L752 T770	L727-T766 HydrophobicContact CD1-CG2 4.15Å; N728-T766 PolarHBondContact O-N 2.89Å; N728-T766 PolarHBondContact O-OG1 3.26Å; I729-T766 HydrophobicContact CB-CG2 4.15Å; I729-T766 HydrophobicContact CG1-CG2 3.79Å; I729-T766 HydrophobicContact CG2-CG2 4.2Å; W730-T766 PolarHBondContact N-OG1 2.97Å; L752-T766 HydrophobicContact CD2-CG2 4.22Å; T766-T770 HydrophobicContact CG2-CG2 3.99Å
767	T	94.4	Very high	85.9	Confident	36 Å²	36	71.1 Å²	71.1	22%	0.221	41%	0.406	C	S	.	.			trans	-128.8	170.3	177.6	73.1	0	0	0	0	108.7	F548 N751 K753 G769 T770	F548-T767 HydrophobicContact CD1-CG2 4.11Å; F548-T767 HydrophobicContact CE1-CG2 3.76Å; N751-T767 PolarHBondContact ND2-OG1 2.95Å; N751-T767 VanDerWaalsContact ND2-OG1 3.16Å; N751-T767 WeakPolarHBondContact O-CG2 3.5Å; N751-T767 PolarHBondContact O-OG1 3.39Å; K753-T767 HydrophobicContact CB-CG2 4.29Å; T767-G769 PolarHBondContact O-N 2.7Å; T767-G769 VanDerWaalsContact O-N 3.17Å; T767-G769 PolarHBondContact OG1-N 3.14Å; T767-T770 PolarHBondContact N-OG1 3.36Å; T767-T770 WeakPolarHBondContact O-CB 3.29Å; T767-T770 PolarHBondContact O-N 2.83Å; T767-T770 PolarHBondContact O-OG1 2.86Å; T767-T770 PolarHBondContact OG1-N 2.63Å; T767-T770 PolarHBondContact OG1-OG1 3.33Å
768	V	92	Very high	87.3	Confident	161 Å²	161	72.7 Å²	72.7	98%	0.976	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.8	177.3	-176.2	0	0	0	0	112
769	G	90.8	Very high	88.7	Confident	40 Å²	40	77.4 Å²	77.4	41%	0.412	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	7.6	178.2	0	0	0	0	0	114.7	T767 K771	T767-G769 PolarHBondContact O-N 2.7Å; T767-G769 VanDerWaalsContact O-N 3.17Å; T767-G769 PolarHBondContact OG1-N 3.14Å; G769-K771 PolarHBondContact O-N 2.91Å
770	T	95.9	Very high	90.6	Very high	28 Å²	28	72.3 Å²	72.3	17%	0.172	38%	0.375	C	S	.	.			trans	-67.4	130.6	179.9	-66.5	0	0	0	0	110.5	V749 H750 N751 L752 T766 T767 I772	V749-T770 HydrophobicContact CG1-CG2 3.83Å; H750-T770 VanDerWaalsContact O-CA 3.31Å; H750-T770 WeakPolarHBondContact O-CA 3.3Å; H750-T770 WeakPolarHBondContact O-CG2 3.45Å; N751-T770 PolarHBondContact O-OG1 3.45Å; L752-T770 HydrophobicContact CD2-CG2 4Å; T766-T770 HydrophobicContact CG2-CG2 3.99Å; T767-T770 PolarHBondContact N-OG1 3.36Å; T767-T770 WeakPolarHBondContact O-CB 3.29Å; T767-T770 PolarHBondContact O-N 2.83Å; T767-T770 PolarHBondContact O-OG1 2.86Å; T767-T770 PolarHBondContact OG1-N 2.63Å; T767-T770 PolarHBondContact OG1-OG1 3.33Å; T770-I772 HydrophobicContact CG2-CG1 4.08Å
771	K	94.9	Very high	92.3	Very high	153 Å²	153	67.2 Å²	67.2	67%	0.665	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.7	172.5	-61.9	-176.3	179.6	-174	0	108.6	V749 H750 G769	V749-K771 WeakPolarHBondContact CA-O 3.45Å; H750-K771 HydrophobicContact CB-CB 4.17Å; H750-K771 PolarHBondContact N-O 2.96Å; G769-K771 PolarHBondContact O-N 2.91Å
772	I	95.8	Very high	93.2	Very high	34 Å²	34	64.7 Å²	64.7	17%	0.174	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.3	-179.4	-58	171.7	0	0	0	107.8	I729 L741 Y747 V749 T770	I729-I772 HydrophobicContact CD1-CD1 4.17Å; L741-I772 HydrophobicContact CD2-CG2 4.03Å; Y747-I772 HydrophobicContact CD1-CG2 3.7Å; Y747-I772 HydrophobicContact CG-CG2 4.05Å; V749-I772 HydrophobicContact CG1-CG1 3.94Å; V749-I772 HydrophobicContact CG2-CG1 4.27Å; V749-I772 HydrophobicContact CG2-CG2 4.29Å; T770-I772 HydrophobicContact CG2-CG1 4.08Å
773	Q	95.5	Very high	93.4	Very high	120 Å²	120	68.2 Å²	68.2	56%	0.561	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.6	-179.7	179.9	-179.2	3.2	0	0	109.8	Y747 R748	Y747-Q773 CarbonylContact C-O 3.58Å; Y747-Q773 VanDerWaalsContact CA-O 3.27Å; Y747-Q773 WeakPolarHBondContact CA-O 3.3Å; R748-Q773 HydrophobicContact CB-CB 4.48Å; R748-Q773 PolarHBondContact N-O 3.47Å; R748-Q773 PolarHBondContact O-N 3.16Å
774	E	97	Very high	93.1	Very high	81 Å²	81	74.3 Å²	74.3	38%	0.379	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.7	174.5	-172.3	176.2	151.3	0	0	110.8	K745 Y747	K745-E774 HydrophobicContact CD-CG 4.41Å; K745-E774 VanDerWaalsContact CD-OE1 3.29Å; K745-E774 WeakPolarHBondContact CD-OE1 3.45Å; K745-E774 WeakPolarHBondContact CE-OE1 3.27Å; K745-E774 IonicContact NZ-OE1 3.16Å; K745-E774 PolarHBondContact NZ-OE1 2.87Å; K745-E774 IonicContact NZ-OE2 2.72Å; K745-E774 PolarHBondContact NZ-OE2 3.39Å; Y747-E774 HydrophobicContact CD1-CB 3.94Å; Y747-E774 HydrophobicContact CD1-CG 4.48Å; Y747-E774 HydrophobicContact CE1-CB 3.68Å; Y747-E774 HydrophobicContact CE1-CG 4.02Å
775	L	95.7	Very high	92.6	Very high	12 Å²	12	74.6 Å²	74.6	6%	0.063	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-87.4	142.2	173.7	-69.4	173	0	0	0	110.3	D553 A746 R748 Y780	D553-L775 HydrophobicContact CB-CD1 3.78Å; A746-L775 HydrophobicContact CB-CB 4.32Å; A746-L775 HydrophobicContact CB-CD1 4.03Å; A746-L775 WeakPolarHBondContact O-CB 3.05Å; A746-L775 PolarHBondContact O-N 3.46Å; R748-L775 HydrophobicContact CB-CD2 3.94Å; R748-L775 HydrophobicContact CB-CG 4.27Å; L775-Y780 HydrophobicContact CB-CD1 4.21Å; L775-Y780 HydrophobicContact CB-CE1 4.23Å
776	S	94.8	Very high	92.2	Very high	53 Å²	53	75.6 Å²	75.6	37%	0.371	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-62	137.1	171.7	179.3	0	0	0	0	110.1	K778 Y779 Y780	S776-K778 PolarHBondContact O-N 3.34Å; S776-Y779 PolarHBondContact O-N 2.81Å; S776-Y780 WeakPolarHBondContact O-CD1 3.32Å
777	P	91.7	Very high	92	Very high	88 Å²	88	76.1 Å²	76.1	57%	0.571	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-55.6	-13.2	175.1	-27.2	34.9	0	0	0	115	Y779	P777-Y779 VanDerWaalsContact C-N 3.25Å; P777-Y779 PolarHBondContact O-N 3.47Å
778	K	92.6	Very high	91.8	Very high	189 Å²	189	79.1 Å²	79.1	82%	0.822	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-71.9	-16.9	174.3	-61.8	-178.7	-179	179.3	0	113.7	S776	S776-K778 PolarHBondContact O-N 3.34Å
779	Y	90.3	Very high	91.8	Very high	166 Å²	166	75.6 Å²	75.6	65%	0.651	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-103.2	-4.3	-173.8	-63.3	-64.8	0	0	0	114.5	H715 S776 P777	H715-Y779 PolarHBondContact CE1-O 2.95Å; S776-Y779 PolarHBondContact O-N 2.81Å; P777-Y779 VanDerWaalsContact C-N 3.25Å; P777-Y779 PolarHBondContact O-N 3.47Å
780	Y	92	Very high	91.9	Very high	33 Å²	33	76 Å²	76	13%	0.129	40%	0.396	C	S	.	.			trans	-149.3	157.6	179	70.5	-79.4	0	0	0	110.2	L555 K745 A746 L775 S776 A782	L555-Y780 HydrophobicContact CD1-CD2 4.15Å; L555-Y780 HydrophobicContact CD1-CE2 3.99Å; K745-Y780 WeakPolarHBondContact CA-OH 3.3Å; A746-Y780 HydrophobicContact CB-CD1 3.64Å; A746-Y780 HydrophobicContact CB-CD2 3.63Å; A746-Y780 HydrophobicContact CB-CE1 3.67Å; A746-Y780 HydrophobicContact CB-CE2 3.66Å; A746-Y780 HydrophobicContact CB-CG 3.62Å; A746-Y780 PolarHBondContact N-OH 3.2Å; L775-Y780 HydrophobicContact CB-CD1 4.21Å; L775-Y780 HydrophobicContact CB-CE1 4.23Å; S776-Y780 WeakPolarHBondContact O-CD1 3.32Å; Y780-A782 HydrophobicContact CD2-CB 4.45Å; Y780-A782 HydrophobicContact CE2-CB 4.2Å
781	N	91.2	Very high	91.8	Very high	72 Å²	72	80.3 Å²	80.3	39%	0.385	41%	0.41	S	S	.	.			trans	-122.7	108.4	170.5	-177.8	-46.3	0	0	0	108.1	S783 Q784 A785	N781-S783 VanDerWaalsContact C-N 3.29Å; N781-S783 PolarHBondContact O-N 2.76Å; N781-S783 WeakPolarHBondContact OD1-CB 3.28Å; N781-S783 PolarHBondContact OD1-N 3.18Å; N781-S783 VanDerWaalsContact OD1-N 3.09Å; N781-Q784 HydrophobicContact CB-CB 3.99Å; N781-Q784 HydrophobicContact CB-CG 4.02Å; N781-Q784 PolarHBondContact O-N 3Å; N781-Q784 PolarHBondContact OD1-N 3.04Å; N781-A785 PolarHBondContact O-N 2.76Å
782	A	90.7	Very high	91.8	Very high	19 Å²	19	75.4 Å²	75.4	16%	0.157	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-42.1	-175.7	0	0	0	0	0	112	L555 Y780 A785 G786 F787	L555-A782 HydrophobicContact CD1-CB 4.16Å; Y780-A782 HydrophobicContact CD2-CB 4.45Å; Y780-A782 HydrophobicContact CE2-CB 4.2Å; A782-A785 CarbonylContact O-C 3.56Å; A782-A785 PolarHBondContact O-N 3.28Å; A782-G786 PolarHBondContact O-N 3.1Å; A782-F787 HydrophobicContact CB-CB 3.92Å; A782-F787 HydrophobicContact CB-CD1 4.25Å; A782-F787 HydrophobicContact CB-CG 4.37Å; A782-F787 VanDerWaalsContact O-CB 3.27Å; A782-F787 WeakPolarHBondContact O-CB 3.49Å; A782-F787 PolarHBondContact O-N 2.91Å
783	S	88	Confident	91.7	Very high	97 Å²	97	74.3 Å²	74.3	68%	0.678	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-40.5	179.7	-53.1	0	0	0	0	112.4	N781 A785 G786	N781-S783 VanDerWaalsContact C-N 3.29Å; N781-S783 PolarHBondContact O-N 2.76Å; N781-S783 WeakPolarHBondContact OD1-CB 3.28Å; N781-S783 PolarHBondContact OD1-N 3.18Å; N781-S783 VanDerWaalsContact OD1-N 3.09Å; S783-A785 VanDerWaalsContact C-N 3.28Å; S783-A785 PolarHBondContact O-N 3.38Å; S783-G786 PolarHBondContact O-N 3.47Å; S783-G786 VanDerWaalsContact O-N 3.08Å
784	Q	86	Confident	91.7	Very high	134 Å²	134	72.1 Å²	72.1	63%	0.626	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.3	176.3	-70.9	178.8	-16	0	0	112.5	N781 G786	N781-Q784 HydrophobicContact CB-CB 3.99Å; N781-Q784 HydrophobicContact CB-CG 4.02Å; N781-Q784 PolarHBondContact O-N 3Å; N781-Q784 PolarHBondContact OD1-N 3.04Å; Q784-G786 PolarHBondContact O-N 2.98Å
785	A	84.6	Confident	91.6	Very high	7 Å²	7	68.4 Å²	68.4	6%	0.058	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	11.2	173.2	0	0	0	0	0	113.2	L555 N781 A782 S783	L555-A785 HydrophobicContact CD2-CB 3.54Å; N781-A785 PolarHBondContact O-N 2.76Å; A782-A785 CarbonylContact O-C 3.56Å; A782-A785 PolarHBondContact O-N 3.28Å; S783-A785 VanDerWaalsContact C-N 3.28Å; S783-A785 PolarHBondContact O-N 3.38Å
786	G	86.9	Confident	91.5	Very high	42 Å²	42	72.8 Å²	72.8	43%	0.433	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	13.6	170.7	0	0	0	0	0	115.8	A782 S783 Q784 M788	A782-G786 PolarHBondContact O-N 3.1Å; S783-G786 PolarHBondContact O-N 3.47Å; S783-G786 VanDerWaalsContact O-N 3.08Å; Q784-G786 PolarHBondContact O-N 2.98Å; G786-M788 PolarHBondContact O-N 2.72Å
787	F	91.2	Very high	91.4	Very high	34 Å²	34	72.6 Å²	72.6	15%	0.149	38%	0.38	C	S	.	.			trans	-67.1	132.2	176.8	175.5	-107	0	0	0	112	L555 H557 E743 A782	L555-F787 HydrophobicContact CD2-CB 3.94Å; H557-F787 AromaticContact ND1-CD2 3.8Å; E743-F787 HydrophobicContact CB-CE2 4.21Å; E743-F787 HydrophobicContact CB-CZ 4.33Å; A782-F787 HydrophobicContact CB-CB 3.92Å; A782-F787 HydrophobicContact CB-CD1 4.25Å; A782-F787 HydrophobicContact CB-CG 4.37Å; A782-F787 VanDerWaalsContact O-CB 3.27Å; A782-F787 WeakPolarHBondContact O-CB 3.49Å; A782-F787 PolarHBondContact O-N 2.91Å
788	M	90.8	Very high	91.5	Very high	98 Å²	98	68.8 Å²	68.8	48%	0.483	35%	0.354	S	S	.	.			trans	-126.9	122.8	173.1	-64.4	-175	65.5	0	0	110	R558 G786 P806	R558-M788 PolarHBondContact NH1-O 3.22Å; R558-M788 PolarHBondContact NH2-O 3.33Å; G786-M788 PolarHBondContact O-N 2.72Å; M788-P806 HydrophobicContact CB-CG 4.25Å; M788-P806 HydrophobicContact CE-CG 3.81Å; M788-P806 HydrophobicContact CG-CG 4.46Å; M788-P806 HydrophobicContact SD-CB 4.16Å; M788-P806 HydrophobicContact SD-CG 3.48Å; M788-P806 WeakPolarHBondContact SD-CG 3.46Å
789	S	92.3	Very high	91.3	Very high	88 Å²	88	65.4 Å²	65.4	62%	0.615	34%	0.336	S	S	*	.			trans	-59.6	151.4	174.5	-61.7	0	0	0	0	111.8
790	R	91.9	Very high	91.2	Very high	48 Å²	48	60.2 Å²	60.2	18%	0.181	32%	0.324	C	S	.	.			trans	-60.3	138.2	175.2	-67.6	-179.7	177.2	-89.9	4.6	111	I559 E743 D811 N865	I559-R790 PolarHBondContact O-NH2 3.32Å; E743-R790 VanDerWaalsContact CD-NE 3.32Å; E743-R790 IonicContact OE1-CZ 3.74Å; E743-R790 VanDerWaalsContact OE1-CZ 3.29Å; E743-R790 IonicContact OE1-NE 3.91Å; E743-R790 PolarHBondContact OE1-NE 3.13Å; E743-R790 IonicContact OE1-NH2 2.8Å; E743-R790 PolarHBondContact OE1-NH2 3.46Å; E743-R790 WeakPolarHBondContact OE2-CD 3.29Å; E743-R790 IonicContact OE2-CZ 3.63Å; E743-R790 IonicContact OE2-NE 3.72Å; E743-R790 PolarHBondContact OE2-NE 2.94Å; R790-D811 IonicContact NH1-OD1 3.28Å; R790-D811 IonicContact NH1-OD2 2.98Å; R790-D811 PolarHBondContact NH1-OD2 3.27Å; R790-N865 PolarHBondContact NH1-OD1 3.48Å; R790-N865 PolarHBondContact NH2-OD1 3.15Å
791	R	93.1	Very high	90.9	Very high	119 Å²	119	64.5 Å²	64.5	45%	0.449	36%	0.359	S	S	.	.			trans	-145.1	150.2	173.5	74.1	-179.7	-171.7	101.5	-12.6	109.7	E797	R791-E797 IonicContact CZ-OE1 3.24Å; R791-E797 VanDerWaalsContact CZ-OE1 3.24Å; R791-E797 IonicContact NH1-OE1 2.75Å; R791-E797 PolarHBondContact NH1-OE1 2.92Å; R791-E797 IonicContact NH1-OE2 3.8Å; R791-E797 PolarHBondContact NH1-OE2 3.45Å; R791-E797 IonicContact NH2-OE1 2.8Å; R791-E797 PolarHBondContact NH2-OE1 2.64Å
792	L	95.1	Very high	90.7	Very high	49 Å²	49	69.1 Å²	69.1	26%	0.257	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-68.3	136.3	168.2	-66.7	174.2	0	0	0	109.4	D811 V813 I896 A899	L792-D811 CarbonylContact C-O 3.56Å; L792-D811 WeakPolarHBondContact CA-O 3.26Å; L792-D811 HydrophobicContact CD2-CB 4.24Å; L792-V813 HydrophobicContact CD1-CG2 4.12Å; L792-V813 HydrophobicContact CD2-CG2 4.02Å; L792-I896 HydrophobicContact CD2-CG1 4.34Å; L792-I896 HydrophobicContact CD2-CG2 4.45Å; L792-A899 HydrophobicContact CD1-CB 3.35Å
793	T	95.5	Very high	90.6	Very high	11 Å²	11	69.3 Å²	69.3	7%	0.067	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-97.7	129.6	173	-51	0	0	0	0	108.1	E797 L798 F803 V810 D811	T793-E797 HydrophobicContact CG2-CB 4.09Å; T793-L798 HydrophobicContact CG2-CD2 3.96Å; T793-L798 HydrophobicContact CG2-CG 3.91Å; T793-F803 HydrophobicContact CG2-CE1 3.83Å; T793-F803 HydrophobicContact CG2-CE2 4.2Å; T793-F803 HydrophobicContact CG2-CZ 3.49Å; T793-F803 VanDerWaalsContact CG2-CZ 3.49Å; T793-V810 HydrophobicContact CG2-CG1 4.12Å; T793-D811 PolarHBondContact N-O 3.14Å
794	T	94.9	Very high	90.6	Very high	75 Å²	75	69.4 Å²	69.4	46%	0.46	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-79.1	155.7	176.7	63.5	0	0	0	0	110.4	D796 E797 L798	T794-D796 PolarHBondContact O-N 3.09Å; T794-E797 PolarHBondContact N-OE2 2.9Å; T794-E797 PolarHBondContact O-N 2.9Å; T794-E797 WeakPolarHBondContact OG1-CG 3.44Å; T794-E797 PolarHBondContact OG1-N 3.31Å; T794-E797 PolarHBondContact OG1-OE2 2.98Å; T794-E797 VanDerWaalsContact OG1-OE2 3.04Å; T794-L798 PolarHBondContact O-N 3.35Å
795	F	95.2	Very high	90.7	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.013	34%	0.343	C	S	.	.	H	α-helix	trans	-71.4	-23.3	-179.3	-68.4	10.5	0	0	0	112	L798 R799 I812 L830 A831 D832 N836 I838	F795-L798 PolarHBondContact O-N 2.73Å; F795-R799 PolarHBondContact O-N 3.14Å; F795-I812 HydrophobicContact CE1-CB 4.06Å; F795-I812 HydrophobicContact CE1-CD1 3.95Å; F795-I812 HydrophobicContact CE1-CG2 4.33Å; F795-I812 HydrophobicContact CZ-CD1 4.26Å; F795-L830 HydrophobicContact CE2-CB 4.27Å; F795-L830 WeakPolarHBondContact CE2-O 3.07Å; F795-L830 HydrophobicContact CZ-CB 4.09Å; F795-A831 VanDerWaalsContact CE2-C 3.49Å; F795-D832 HydrophobicContact CB-CB 4.44Å; F795-D832 WeakPolarHBondContact CB-OD2 2.92Å; F795-D832 HydrophobicContact CD1-CB 4.45Å; F795-D832 HydrophobicContact CD2-CB 3.64Å; F795-D832 HydrophobicContact CE2-CB 3.92Å; F795-D832 HydrophobicContact CG-CB 3.94Å; F795-D832 HydrophobicContact CZ-CB 4.4Å; F795-N836 HydrophobicContact CB-CB 3.77Å; F795-N836 HydrophobicContact CD2-CB 4.25Å; F795-N836 WeakPolarHBondContact CD2-O 3.48Å; F795-I838 HydrophobicContact CB-CG2 4.05Å; F795-I838 HydrophobicContact CD1-CG1 4.37Å; F795-I838 HydrophobicContact CD1-CG2 4.21Å; F795-I838 HydrophobicContact CD2-CB 4.44Å; F795-I838 HydrophobicContact CD2-CG1 4.03Å; F795-I838 HydrophobicContact CD2-CG2 3.73Å; F795-I838 HydrophobicContact CE1-CG1 4Å; F795-I838 HydrophobicContact CE2-CB 4.44Å; F795-I838 HydrophobicContact CE2-CG1 3.59Å; F795-I838 HydrophobicContact CE2-CG2 4.2Å; F795-I838 HydrophobicContact CG-CG1 4.41Å; F795-I838 HydrophobicContact CG-CG2 3.74Å; F795-I838 HydrophobicContact CZ-CD1 4.46Å; F795-I838 HydrophobicContact CZ-CG1 3.6Å
796	D	92.4	Very high	90.7	Very high	103 Å²	103	64.7 Å²	64.7	55%	0.551	35%	0.352	S	S	*	.	H	α-helix	trans	-69.8	-42.7	174.3	-163.1	56.6	0	0	0	111.8	T794 L798 R799 S800	T794-D796 PolarHBondContact O-N 3.09Å; D796-L798 VanDerWaalsContact C-N 3.26Å; D796-L798 PolarHBondContact O-N 3.43Å; D796-R799 WeakPolarHBondContact O-CB 2.99Å; D796-R799 PolarHBondContact O-N 3.33Å; D796-S800 PolarHBondContact O-N 2.86Å
797	E	93.7	Very high	90.6	Very high	50 Å²	50	64.6 Å²	64.6	23%	0.234	35%	0.345	C	S	.	.	H	α-helix	trans	-55.9	-42.1	172.3	-77.3	171.3	130.7	0	0	111.6	R791 T793 T794 R799 S800 F803	R791-E797 IonicContact CZ-OE1 3.24Å; R791-E797 VanDerWaalsContact CZ-OE1 3.24Å; R791-E797 IonicContact NH1-OE1 2.75Å; R791-E797 PolarHBondContact NH1-OE1 2.92Å; R791-E797 IonicContact NH1-OE2 3.8Å; R791-E797 PolarHBondContact NH1-OE2 3.45Å; R791-E797 IonicContact NH2-OE1 2.8Å; R791-E797 PolarHBondContact NH2-OE1 2.64Å; T793-E797 HydrophobicContact CG2-CB 4.09Å; T794-E797 PolarHBondContact N-OE2 2.9Å; T794-E797 PolarHBondContact O-N 2.9Å; T794-E797 WeakPolarHBondContact OG1-CG 3.44Å; T794-E797 PolarHBondContact OG1-N 3.31Å; T794-E797 PolarHBondContact OG1-OE2 2.98Å; T794-E797 VanDerWaalsContact OG1-OE2 3.04Å; E797-R799 PolarHBondContact O-N 3.34Å; E797-S800 WeakPolarHBondContact O-CB 3.09Å; E797-S800 PolarHBondContact O-N 3.36Å; E797-S800 VanDerWaalsContact O-N 3.11Å; E797-F803 HydrophobicContact CB-CD2 4.07Å; E797-F803 HydrophobicContact CB-CE2 4.3Å; E797-F803 HydrophobicContact CB-CG 4.33Å; E797-F803 WeakPolarHBondContact O-CB 3.2Å; E797-F803 WeakPolarHBondContact O-CG 3.31Å
798	L	92.9	Very high	90.6	Very high	8 Å²	8	66.4 Å²	66.4	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-21.5	178.7	-69.2	174.2	0	0	0	113.9	T793 T794 F795 D796 F803 V810 I812 I838 P877 L879	T793-L798 HydrophobicContact CG2-CD2 3.96Å; T793-L798 HydrophobicContact CG2-CG 3.91Å; T794-L798 PolarHBondContact O-N 3.35Å; F795-L798 PolarHBondContact O-N 2.73Å; D796-L798 VanDerWaalsContact C-N 3.26Å; D796-L798 PolarHBondContact O-N 3.43Å; L798-F803 HydrophobicContact CD2-CD1 4.22Å; L798-F803 HydrophobicContact CD2-CE1 3.89Å; L798-V810 HydrophobicContact CD2-CG1 4.17Å; L798-I812 HydrophobicContact CD1-CG2 4.47Å; L798-I838 HydrophobicContact CD1-CG2 4.24Å; L798-P877 HydrophobicContact CB-CB 3.81Å; L798-P877 HydrophobicContact CB-CG 3.89Å; L798-L879 HydrophobicContact CD1-CD1 4.1Å; L798-L879 HydrophobicContact CD1-CD2 4.23Å; L798-L879 HydrophobicContact CD1-CG 4.46Å; L798-L879 HydrophobicContact CD2-CD2 4.21Å
799	R	88.7	Confident	90.7	Very high	118 Å²	118	62.8 Å²	62.8	45%	0.445	34%	0.338	S	S	.	.	H	α-helix	trans	-81.3	-23.9	174.5	-75.4	-178.8	170.4	162.7	2.5	112.8	F795 D796 E797 S801 N836 P877	F795-R799 PolarHBondContact O-N 3.14Å; D796-R799 WeakPolarHBondContact O-CB 2.99Å; D796-R799 PolarHBondContact O-N 3.33Å; E797-R799 PolarHBondContact O-N 3.34Å; R799-S801 PolarHBondContact O-N 3.14Å; R799-N836 PolarHBondContact NH1-OD1 2.93Å; R799-P877 HydrophobicContact CG-CG 3.64Å
800	S	88.9	Confident	90.9	Very high	57 Å²	57	58.8 Å²	58.8	40%	0.399	31%	0.31	S	S	.	.			trans	-69.1	127.4	179.1	179.2	0	0	0	0	110.6	D796 E797 E802 F803	D796-S800 PolarHBondContact O-N 2.86Å; E797-S800 WeakPolarHBondContact O-CB 3.09Å; E797-S800 PolarHBondContact O-N 3.36Å; E797-S800 VanDerWaalsContact O-N 3.11Å; S800-E802 PolarHBondContact O-N 2.96Å; S800-E802 PolarHBondContact OG-N 2.9Å; S800-F803 PolarHBondContact O-N 3.3Å
801	S	84.3	Confident	91.1	Very high	122 Å²	122	56.9 Å²	56.9	85%	0.853	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.8	173.6	51.8	0	0	0	0	113.2	R799	R799-S801 PolarHBondContact O-N 3.14Å
802	E	87.4	Confident	91.3	Very high	170 Å²	170	51.2 Å²	51.2	79%	0.794	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.2	178.9	-59.7	-175.9	171.2	0	0	112.5	S800 V804	S800-E802 PolarHBondContact O-N 2.96Å; S800-E802 PolarHBondContact OG-N 2.9Å; E802-V804 PolarHBondContact O-N 3.18Å
803	F	89.4	Confident	91.4	Very high	23 Å²	23	49.9 Å²	49.9	10%	0.101	28%	0.276	C	S	.	.			trans	-70.5	124.5	-177.9	178.2	-106.7	0	0	0	111.4	T793 E797 L798 S800 V810	T793-F803 HydrophobicContact CG2-CE1 3.83Å; T793-F803 HydrophobicContact CG2-CE2 4.2Å; T793-F803 HydrophobicContact CG2-CZ 3.49Å; T793-F803 VanDerWaalsContact CG2-CZ 3.49Å; E797-F803 HydrophobicContact CB-CD2 4.07Å; E797-F803 HydrophobicContact CB-CE2 4.3Å; E797-F803 HydrophobicContact CB-CG 4.33Å; E797-F803 WeakPolarHBondContact O-CB 3.2Å; E797-F803 WeakPolarHBondContact O-CG 3.31Å; L798-F803 HydrophobicContact CD2-CD1 4.22Å; L798-F803 HydrophobicContact CD2-CE1 3.89Å; S800-F803 PolarHBondContact O-N 3.3Å; F803-V810 HydrophobicContact CE1-CG1 4.1Å; F803-V810 HydrophobicContact CZ-CG1 4.3Å
804	V	87.3	Confident	91.5	Very high	98 Å²	98	49.4 Å²	49.4	59%	0.594	27%	0.273	S	S	*	.			trans	-120.2	108.2	174.8	-177.6	0	0	0	0	107.5	E802	E802-V804 PolarHBondContact O-N 3.18Å
805	S	87.5	Confident	91.6	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.021	26%	0.263	C	S	.	.			trans	-74.3	140.6	172.6	40.4	0	0	0	0	110.5	S807 D808 E809	S805-S807 PolarHBondContact O-N 2.95Å; S805-D808 PolarHBondContact O-N 3.45Å; S805-D808 VanDerWaalsContact O-N 3.11Å; S805-D808 VanDerWaalsContact OG-CA 3.31Å; S805-D808 WeakPolarHBondContact OG-CA 3.49Å; S805-E809 WeakPolarHBondContact CB-O 2.99Å
806	P	85.6	Confident	91.7	Very high	40 Å²	40	48.4 Å²	48.4	26%	0.26	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-57.7	125.6	172.3	-22.8	34.6	0	0	0	109.9	M788 D808 E809	M788-P806 HydrophobicContact CB-CG 4.25Å; M788-P806 HydrophobicContact CE-CG 3.81Å; M788-P806 HydrophobicContact CG-CG 4.46Å; M788-P806 HydrophobicContact SD-CB 4.16Å; M788-P806 HydrophobicContact SD-CG 3.48Å; M788-P806 WeakPolarHBondContact SD-CG 3.46Å; P806-D808 PolarHBondContact O-N 2.84Å; P806-D808 VanDerWaalsContact O-N 3.12Å; P806-E809 PolarHBondContact O-N 3.47Å; P806-E809 VanDerWaalsContact O-N 3.12Å
807	S	85.3	Confident	91.9	Very high	39 Å²	39	47.3 Å²	47.3	27%	0.273	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	58	22.2	-179	-49.5	0	0	0	0	114.7	R710 D724 S805 E809	R710-S807 WeakPolarHBondContact CD-OG 3.44Å; D724-S807 PolarHBondContact OD2-OG 3Å; S805-S807 PolarHBondContact O-N 2.95Å; S807-E809 PolarHBondContact O-N 2.99Å
808	D	90	Very high	92	Very high	72 Å²	72	46.8 Å²	46.8	39%	0.385	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	56.2	22.9	-173	-63	-51.6	0	0	0	114.5	S805 P806 V867 H868 R870	S805-D808 PolarHBondContact O-N 3.45Å; S805-D808 VanDerWaalsContact O-N 3.11Å; S805-D808 VanDerWaalsContact OG-CA 3.31Å; S805-D808 WeakPolarHBondContact OG-CA 3.49Å; P806-D808 PolarHBondContact O-N 2.84Å; P806-D808 VanDerWaalsContact O-N 3.12Å; D808-V867 WeakPolarHBondContact O-CA 3.49Å; D808-H868 PolarHBondContact O-N 2.68Å; D808-R870 IonicContact OD1-CZ 3.32Å; D808-R870 IonicContact OD1-NE 2.73Å; D808-R870 IonicContact OD1-NH2 3.28Å; D808-R870 PolarHBondContact OD1-NH2 2.78Å
809	E	93.8	Very high	92.2	Very high	23 Å²	23	49 Å²	49	11%	0.107	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.1	-178.6	-74.2	171.7	-159.7	0	0	112	Y560 R710 S805 P806 S807 L866	Y560-E809 WeakPolarHBondContact CE1-OE2 3.38Å; Y560-E809 PolarHBondContact OH-OE1 2.87Å; Y560-E809 PolarHBondContact OH-OE2 2.8Å; R710-E809 IonicContact CZ-OE1 2.75Å; R710-E809 IonicContact NE-OE1 3.29Å; R710-E809 PolarHBondContact NE-OE1 3.48Å; R710-E809 IonicContact NH2-OE1 2.95Å; R710-E809 PolarHBondContact NH2-OE1 3.2Å; S805-E809 WeakPolarHBondContact CB-O 2.99Å; P806-E809 PolarHBondContact O-N 3.47Å; P806-E809 VanDerWaalsContact O-N 3.12Å; S807-E809 PolarHBondContact O-N 2.99Å; E809-L866 CarbonylContact C-O 3.54Å; E809-L866 VanDerWaalsContact CA-O 3.28Å; E809-L866 WeakPolarHBondContact CA-O 3.38Å
810	V	96.1	Very high	92.5	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.6	178.9	-62	0	0	0	0	112.5	T793 L798 F803 I812 N865 L866 L879	T793-V810 HydrophobicContact CG2-CG1 4.12Å; L798-V810 HydrophobicContact CD2-CG1 4.17Å; F803-V810 HydrophobicContact CE1-CG1 4.1Å; F803-V810 HydrophobicContact CZ-CG1 4.3Å; V810-I812 HydrophobicContact CG2-CG2 4.3Å; V810-N865 PolarHBondContact O-N 2.9Å; V810-L866 HydrophobicContact CG2-CB 4.11Å; V810-L866 PolarHBondContact N-O 2.69Å; V810-L866 PolarHBondContact O-N 2.62Å; V810-L879 HydrophobicContact CG2-CD1 3.9Å; V810-L879 HydrophobicContact CG2-CD2 3.71Å; V810-L879 HydrophobicContact CG2-CG 4.46Å
811	D	96.4	Very high	92.6	Very high	9 Å²	9	47 Å²	47	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.3	169.6	-62.3	-23.7	0	0	0	108	R790 L792 T793 C863 Q864 N865	R790-D811 IonicContact NH1-OD1 3.28Å; R790-D811 IonicContact NH1-OD2 2.98Å; R790-D811 PolarHBondContact NH1-OD2 3.27Å; L792-D811 CarbonylContact C-O 3.56Å; L792-D811 WeakPolarHBondContact CA-O 3.26Å; L792-D811 HydrophobicContact CD2-CB 4.24Å; T793-D811 PolarHBondContact N-O 3.14Å; D811-C863 CarbonylContact C-O 3.55Å; D811-C863 WeakPolarHBondContact CA-O 3.3Å; D811-Q864 HydrophobicContact CB-CG 4.44Å; D811-Q864 WeakPolarHBondContact OD1-CA 3.03Å; D811-Q864 WeakPolarHBondContact OD1-CB 3.37Å; D811-N865 PolarHBondContact OD1-N 3.02Å
812	I	96.8	Very high	92.7	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.3	-175.9	66.6	165.2	0	0	0	112.2	F795 L798 V810 I838 A862 C863 L866 L879	F795-I812 HydrophobicContact CE1-CB 4.06Å; F795-I812 HydrophobicContact CE1-CD1 3.95Å; F795-I812 HydrophobicContact CE1-CG2 4.33Å; F795-I812 HydrophobicContact CZ-CD1 4.26Å; L798-I812 HydrophobicContact CD1-CG2 4.47Å; V810-I812 HydrophobicContact CG2-CG2 4.3Å; I812-I838 HydrophobicContact CD1-CD1 3.79Å; I812-I838 HydrophobicContact CD1-CG1 4.37Å; I812-A862 WeakPolarHBondContact O-CA 3.47Å; I812-C863 HydrophobicContact CD1-CB 4.45Å; I812-C863 HydrophobicContact CG1-CB 3.83Å; I812-C863 PolarHBondContact N-O 2.93Å; I812-C863 PolarHBondContact O-N 3.23Å; I812-L866 HydrophobicContact CD1-CD1 3.79Å; I812-L866 HydrophobicContact CG1-CD1 3.86Å; I812-L879 HydrophobicContact CD1-CD1 3.73Å; I812-L879 HydrophobicContact CG1-CD1 4.5Å; I812-L879 HydrophobicContact CG2-CD1 4.29Å
813	V	97.4	Very high	92.3	Very high	21 Å²	21	46.7 Å²	46.7	13%	0.127	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.2	166.2	175.1	0	0	0	0	107.7	L792 V860 V861 A862 I896 A899 V900 F903	L792-V813 HydrophobicContact CD1-CG2 4.12Å; L792-V813 HydrophobicContact CD2-CG2 4.02Å; V813-V860 HydrophobicContact CG1-CG1 4.07Å; V813-V861 WeakPolarHBondContact CA-O 3.48Å; V813-A862 HydrophobicContact CG2-CB 4.18Å; V813-I896 HydrophobicContact CG2-CG2 4.04Å; V813-A899 HydrophobicContact CG2-CB 4.19Å; V813-V900 HydrophobicContact CG1-CG2 3.84Å; V813-V900 HydrophobicContact CG2-CG2 3.93Å; V813-F903 HydrophobicContact CG1-CD1 3.92Å
814	G	96.8	Very high	91.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	153.5	-175.5	0	0	0	0	0	113.5	V860 V861	G814-V860 WeakPolarHBondContact O-CA 3.29Å; G814-V861 PolarHBondContact N-O 3.35Å; G814-V861 PolarHBondContact O-N 3.36Å
815	F	96.9	Very high	92.1	Very high	57 Å²	57	45 Å²	45	25%	0.25	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127	174.6	174.8	-97	0	0	0	109.3	I817 L830 A831 G858 V860 F903 I907	F815-I817 HydrophobicContact CD1-CG2 3.77Å; F815-I817 HydrophobicContact CE1-CG2 4.02Å; F815-I817 PolarHBondContact O-N 2.97Å; F815-L830 CarbonylContact O-C 3.54Å; F815-L830 VanDerWaalsContact O-CA 3.31Å; F815-L830 WeakPolarHBondContact O-CA 3.43Å; F815-A831 PolarHBondContact N-O 3.16Å; F815-A831 PolarHBondContact O-N 2.82Å; F815-G858 VanDerWaalsContact CE2-C 3.48Å; F815-G858 WeakPolarHBondContact CE2-O 3.34Å; F815-V860 HydrophobicContact CD2-CG2 3.92Å; F815-F903 HydrophobicContact CB-CE1 3.79Å; F815-F903 HydrophobicContact CB-CZ 3.81Å; F815-I907 HydrophobicContact CB-CD1 4.13Å; F815-I907 HydrophobicContact CD2-CD1 3.6Å; F815-I907 HydrophobicContact CE2-CD1 4.28Å; F815-I907 HydrophobicContact CG-CD1 4.09Å
816	I	97.4	Very high	92.5	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.3	-174.4	-59	177.5	0	0	0	109.8	V819 V828 L830 L855 K856 T857 G858 N859 V861	I816-V819 HydrophobicContact CG2-CG2 3.96Å; I816-V828 HydrophobicContact CD1-CG1 4.27Å; I816-V828 HydrophobicContact CG1-CG1 4.15Å; I816-V828 HydrophobicContact CG2-CG1 3.73Å; I816-L830 HydrophobicContact CG1-CD2 4.28Å; I816-L830 HydrophobicContact CG1-CG 4.42Å; I816-L855 HydrophobicContact CD1-CB 4.27Å; I816-L855 HydrophobicContact CD1-CD2 3.67Å; I816-K856 WeakPolarHBondContact CB-O 3.44Å; I816-T857 HydrophobicContact CG2-CG2 4.46Å; I816-T857 WeakPolarHBondContact O-CA 3.07Å; I816-G858 PolarHBondContact O-N 2.81Å; I816-N859 HydrophobicContact CD1-CB 4.35Å; I816-N859 PolarHBondContact N-O 2.78Å; I816-V861 HydrophobicContact CD1-CG1 3.8Å; I816-V861 HydrophobicContact CD1-CG2 3.89Å; I816-V861 HydrophobicContact CG1-CG1 4.48Å; I816-V861 HydrophobicContact CG1-CG2 3.93Å
817	I	96.6	Very high	93	Very high	79 Å²	79	43.9 Å²	43.9	41%	0.405	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-34	179.7	53.9	168	0	0	0	112.7	F815 Y829 A831 V837	F815-I817 HydrophobicContact CD1-CG2 3.77Å; F815-I817 HydrophobicContact CE1-CG2 4.02Å; F815-I817 PolarHBondContact O-N 2.97Å; I817-Y829 VanDerWaalsContact CG1-O 3.25Å; I817-Y829 WeakPolarHBondContact CG1-O 3Å; I817-Y829 PolarHBondContact N-O 3.29Å; I817-A831 HydrophobicContact CG2-CB 3.83Å; I817-V837 HydrophobicContact CD1-CG1 3.87Å; I817-V837 HydrophobicContact CD1-CG2 3.92Å
818	A	96.9	Very high	93.6	Very high	40 Å²	40	42 Å²	42	33%	0.331	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	150.1	-178.5	0	0	0	0	0	111.5	Y829	A818-Y829 HydrophobicContact CB-CD2 4.01Å; A818-Y829 PolarHBondContact O-N 2.72Å
819	V	96.4	Very high	93.9	Very high	53 Å²	53	42.1 Å²	42.1	32%	0.321	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.8	172.3	-177.8	0	0	0	0	107.5	I816 V828 I846 T857	I816-V819 HydrophobicContact CG2-CG2 3.96Å; V819-V828 HydrophobicContact CG1-CG2 4.32Å; V819-V828 HydrophobicContact CG2-CG1 4.32Å; V819-V828 HydrophobicContact CG2-CG2 4.33Å; V819-I846 HydrophobicContact CG1-CD1 3.55Å; V819-T857 HydrophobicContact CG2-CG2 4.47Å
820	A	94.8	Very high	94.1	Very high	32 Å²	32	41 Å²	41	26%	0.264	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.6	178.7	0	0	0	0	0	109.5	T827 Y829	A820-T827 PolarHBondContact N-O 3.36Å; A820-T827 PolarHBondContact O-N 3.33Å; A820-Y829 HydrophobicContact CB-CE2 4.34Å
821	T	91.3	Very high	94.1	Very high	101 Å²	101	41.4 Å²	41.4	62%	0.62	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.8	179.6	51.8	0	0	0	0	109.9	D826	T821-D826 VanDerWaalsContact CA-OD1 3.27Å; T821-D826 WeakPolarHBondContact CA-OD1 3.35Å; T821-D826 WeakPolarHBondContact CB-OD1 3.48Å; T821-D826 WeakPolarHBondContact CG2-OD1 3.18Å
822	N	87	Confident	94.1	Very high	103 Å²	103	42.5 Å²	42.5	55%	0.551	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	164.4	179.8	-63.7	-31.2	0	0	0	110.6	G824 G825	N822-G824 PolarHBondContact O-N 3.32Å; N822-G824 VanDerWaalsContact O-N 3.11Å; N822-G825 PolarHBondContact N-O 2.84Å; N822-G825 CarbonylContact O-C 3.51Å; N822-G825 PolarHBondContact O-N 3.39Å
823	D	79.4	Confident	93.8	Very high	184 Å²	184	47.1 Å²	47.1	98%	0.984	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.1	178.7	-64.1	-22.8	0	0	0	113.7	G825	D823-G825 VanDerWaalsContact C-N 3.32Å
824	G	80.8	Confident	93.6	Very high	73 Å²	73	48.5 Å²	48.5	75%	0.753	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	13.8	176.9	0	0	0	0	0	114.9	N822	N822-G824 PolarHBondContact O-N 3.32Å; N822-G824 VanDerWaalsContact O-N 3.11Å
825	G	91	Very high	93.3	Very high	12 Å²	12	57.3 Å²	57.3	12%	0.124	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	106.5	176.7	-175.8	0	0	0	0	0	113.4	N822 D823 I842 G843	N822-G825 PolarHBondContact N-O 2.84Å; N822-G825 CarbonylContact O-C 3.51Å; N822-G825 PolarHBondContact O-N 3.39Å; D823-G825 VanDerWaalsContact C-N 3.32Å; G825-I842 WeakPolarHBondContact CA-O 3.33Å; G825-G843 WeakPolarHBondContact CA-O 3.36Å
826	D	95.6	Very high	93.2	Very high	17 Å²	17	55.9 Å²	55.9	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	149.3	-171.3	-63.4	-21.4	0	0	0	111.4	T821 I842 G845 I846	T821-D826 VanDerWaalsContact CA-OD1 3.27Å; T821-D826 WeakPolarHBondContact CA-OD1 3.35Å; T821-D826 WeakPolarHBondContact CB-OD1 3.48Å; T821-D826 WeakPolarHBondContact CG2-OD1 3.18Å; D826-I842 HydrophobicContact CB-CB 4.47Å; D826-I842 PolarHBondContact N-O 3.19Å; D826-I842 PolarHBondContact O-N 2.85Å; D826-G845 WeakPolarHBondContact OD2-CA 3.35Å; D826-I846 HydrophobicContact CB-CD1 3.75Å; D826-I846 HydrophobicContact CB-CG1 3.75Å; D826-I846 WeakPolarHBondContact OD2-CB 3.44Å; D826-I846 VanDerWaalsContact OD2-CG1 3.3Å; D826-I846 WeakPolarHBondContact OD2-CG1 3.24Å; D826-I846 PolarHBondContact OD2-N 3.21Å
827	T	96.1	Very high	93.1	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.5	174.5	-50.3	0	0	0	0	109.7	A820 Y829 A839 L840 K841	A820-T827 PolarHBondContact N-O 3.36Å; A820-T827 PolarHBondContact O-N 3.33Å; T827-Y829 HydrophobicContact CG2-CD2 4.46Å; T827-Y829 HydrophobicContact CG2-CE1 4.29Å; T827-Y829 HydrophobicContact CG2-CE2 3.91Å; T827-A839 HydrophobicContact CG2-CB 4.07Å; T827-L840 CarbonylContact C-O 3.55Å; T827-L840 WeakPolarHBondContact CA-O 3.42Å; T827-K841 HydrophobicContact CG2-CD 3.98Å; T827-K841 WeakPolarHBondContact OG1-CD 3.21Å; T827-K841 PolarHBondContact OG1-NZ 2.98Å
828	V	97.3	Very high	93.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127	173.7	-176.1	0	0	0	0	108.7	I816 V819 L830 L840 I842 I846 L855	I816-V828 HydrophobicContact CD1-CG1 4.27Å; I816-V828 HydrophobicContact CG1-CG1 4.15Å; I816-V828 HydrophobicContact CG2-CG1 3.73Å; V819-V828 HydrophobicContact CG1-CG2 4.32Å; V819-V828 HydrophobicContact CG2-CG1 4.32Å; V819-V828 HydrophobicContact CG2-CG2 4.33Å; V828-L830 HydrophobicContact CB-CD1 4.36Å; V828-L830 HydrophobicContact CG1-CD1 3.99Å; V828-L830 HydrophobicContact CG1-CG 4.28Å; V828-L840 HydrophobicContact CB-CB 4.32Å; V828-L840 PolarHBondContact N-O 2.99Å; V828-L840 PolarHBondContact O-N 3.04Å; V828-I842 HydrophobicContact CG2-CD1 4.09Å; V828-I846 HydrophobicContact CG2-CD1 3.92Å; V828-L855 HydrophobicContact CG1-CD2 4.33Å; V828-L855 HydrophobicContact CG2-CB 4.46Å; V828-L855 HydrophobicContact CG2-CD1 4.16Å; V828-L855 HydrophobicContact CG2-CD2 4.42Å
829	Y	97.6	Very high	93	Very high	73 Å²	73	52 Å²	52	29%	0.286	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124	174.1	-63.2	-86.8	0	0	0	109	I817 A818 A820 T827 V837 I838 A839 I876	I817-Y829 VanDerWaalsContact CG1-O 3.25Å; I817-Y829 WeakPolarHBondContact CG1-O 3Å; I817-Y829 PolarHBondContact N-O 3.29Å; A818-Y829 HydrophobicContact CB-CD2 4.01Å; A818-Y829 PolarHBondContact O-N 2.72Å; A820-Y829 HydrophobicContact CB-CE2 4.34Å; T827-Y829 HydrophobicContact CG2-CD2 4.46Å; T827-Y829 HydrophobicContact CG2-CE1 4.29Å; T827-Y829 HydrophobicContact CG2-CE2 3.91Å; Y829-V837 HydrophobicContact CD1-CG1 4.25Å; Y829-I838 WeakPolarHBondContact CA-O 3.49Å; Y829-A839 HydrophobicContact CD1-CB 4.12Å; Y829-A839 HydrophobicContact CE1-CB 3.97Å; Y829-I876 HydrophobicContact CD1-CD1 3.99Å; Y829-I876 HydrophobicContact CE1-CD1 3.7Å
830	L	97.7	Very high	93.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143	177.7	-60.9	98.8	0	0	0	109.8	F795 F815 I816 V828 V837 I838 L840 V861	F795-L830 HydrophobicContact CE2-CB 4.27Å; F795-L830 WeakPolarHBondContact CE2-O 3.07Å; F795-L830 HydrophobicContact CZ-CB 4.09Å; F815-L830 CarbonylContact O-C 3.54Å; F815-L830 VanDerWaalsContact O-CA 3.31Å; F815-L830 WeakPolarHBondContact O-CA 3.43Å; I816-L830 HydrophobicContact CG1-CD2 4.28Å; I816-L830 HydrophobicContact CG1-CG 4.42Å; V828-L830 HydrophobicContact CB-CD1 4.36Å; V828-L830 HydrophobicContact CG1-CD1 3.99Å; V828-L830 HydrophobicContact CG1-CG 4.28Å; L830-V837 VanDerWaalsContact O-CA 3.32Å; L830-V837 WeakPolarHBondContact O-CA 3.38Å; L830-I838 HydrophobicContact CB-CD1 4.07Å; L830-I838 HydrophobicContact CB-CG1 4.17Å; L830-I838 HydrophobicContact CD1-CD1 3.69Å; L830-I838 HydrophobicContact CG-CD1 4.46Å; L830-I838 PolarHBondContact N-O 3.39Å; L830-I838 PolarHBondContact O-N 3.01Å; L830-L840 HydrophobicContact CD1-CB 3.66Å; L830-L840 HydrophobicContact CD1-CD2 4.23Å; L830-V861 HydrophobicContact CD2-CG2 3.51Å
831	A	96.5	Very high	93.1	Very high	12 Å²	12	51 Å²	51	10%	0.099	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.3	172.8	0	0	0	0	0	111.8	F795 F815 I817 N836 V837 F903	F795-A831 VanDerWaalsContact CE2-C 3.49Å; F815-A831 PolarHBondContact N-O 3.16Å; F815-A831 PolarHBondContact O-N 2.82Å; I817-A831 HydrophobicContact CG2-CB 3.83Å; A831-N836 WeakPolarHBondContact CA-O 3.39Å; A831-V837 HydrophobicContact CB-CG2 4.47Å; A831-F903 WeakPolarHBondContact O-CZ 3.36Å
832	D	95.2	Very high	93.3	Very high	32 Å²	32	46.2 Å²	46.2	17%	0.171	26%	0.262	C	S	.	.			trans	-98.2	-177.3	170	71.6	-5.2	0	0	0	111.5	F795 G834 K835 N836	F795-D832 HydrophobicContact CB-CB 4.44Å; F795-D832 WeakPolarHBondContact CB-OD2 2.92Å; F795-D832 HydrophobicContact CD1-CB 4.45Å; F795-D832 HydrophobicContact CD2-CB 3.64Å; F795-D832 HydrophobicContact CE2-CB 3.92Å; F795-D832 HydrophobicContact CG-CB 3.94Å; F795-D832 HydrophobicContact CZ-CB 4.4Å; D832-G834 PolarHBondContact O-N 3.32Å; D832-G834 WeakPolarHBondContact OD1-CA 3.47Å; D832-G834 PolarHBondContact OD1-N 2.76Å; D832-K835 PolarHBondContact O-N 3.2Å; D832-K835 VanDerWaalsContact O-N 3.13Å; D832-K835 PolarHBondContact OD1-N 3.26Å; D832-K835 VanDerWaalsContact OD1-N 3.09Å; D832-N836 PolarHBondContact N-O 3.2Å; D832-N836 VanDerWaalsContact N-O 3.15Å; D832-N836 WeakPolarHBondContact OD1-CA 3.46Å; D832-N836 VanDerWaalsContact OD1-CB 3.26Å; D832-N836 WeakPolarHBondContact OD1-CB 3.33Å; D832-N836 PolarHBondContact OD1-N 3.2Å; D832-N836 PolarHBondContact OD1-ND2 3.18Å; D832-N836 PolarHBondContact OD2-ND2 2.71Å
833	E	91.7	Very high	93.5	Very high	96 Å²	96	43.1 Å²	43.1	45%	0.449	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-32.4	175.1	-64.7	179.7	178.8	0	0	112.5	K835 F903 H906	E833-K835 PolarHBondContact O-N 3.15Å; E833-F903 HydrophobicContact CB-CE2 4.18Å; E833-F903 HydrophobicContact CG-CD2 3.22Å; E833-F903 HydrophobicContact CG-CE2 3.3Å; E833-F903 HydrophobicContact CG-CG 4.22Å; E833-F903 HydrophobicContact CG-CZ 4.31Å; E833-H906 HydrophobicContact CG-CB 4.42Å
834	G	91.5	Very high	93.9	Very high	50 Å²	50	38.9 Å²	38.9	52%	0.515	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	4.3	177.9	0	0	0	0	0	114.6	D832 N836	D832-G834 PolarHBondContact O-N 3.32Å; D832-G834 WeakPolarHBondContact OD1-CA 3.47Å; D832-G834 PolarHBondContact OD1-N 2.76Å; G834-N836 PolarHBondContact O-N 2.88Å
835	K	90.9	Very high	94.4	Very high	185 Å²	185	35.9 Å²	35.9	80%	0.804	20%	0.201	S	C	*	.			trans	59	20.7	-173.2	-51.7	174.3	-176.8	174.4	0	112.8	D832 E833	D832-K835 PolarHBondContact O-N 3.2Å; D832-K835 VanDerWaalsContact O-N 3.13Å; D832-K835 PolarHBondContact OD1-N 3.26Å; D832-K835 VanDerWaalsContact OD1-N 3.09Å; E833-K835 PolarHBondContact O-N 3.15Å
836	N	94.7	Very high	94.6	Very high	28 Å²	28	35.8 Å²	35.8	15%	0.15	20%	0.198	C	C	.	.			trans	-73.2	144.8	168.5	-55.4	-54	0	0	0	108.2	F795 R799 A831 D832 G834	F795-N836 HydrophobicContact CB-CB 3.77Å; F795-N836 HydrophobicContact CD2-CB 4.25Å; F795-N836 WeakPolarHBondContact CD2-O 3.48Å; R799-N836 PolarHBondContact NH1-OD1 2.93Å; A831-N836 WeakPolarHBondContact CA-O 3.39Å; D832-N836 PolarHBondContact N-O 3.2Å; D832-N836 VanDerWaalsContact N-O 3.15Å; D832-N836 WeakPolarHBondContact OD1-CA 3.46Å; D832-N836 VanDerWaalsContact OD1-CB 3.26Å; D832-N836 WeakPolarHBondContact OD1-CB 3.33Å; D832-N836 PolarHBondContact OD1-N 3.2Å; D832-N836 PolarHBondContact OD1-ND2 3.18Å; D832-N836 PolarHBondContact OD2-ND2 2.71Å; G834-N836 PolarHBondContact O-N 2.88Å
837	V	96.1	Very high	94.4	Very high	35 Å²	35	41.7 Å²	41.7	21%	0.212	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.4	-176.8	-179.7	0	0	0	0	109.6	I817 Y829 L830 A831	I817-V837 HydrophobicContact CD1-CG1 3.87Å; I817-V837 HydrophobicContact CD1-CG2 3.92Å; Y829-V837 HydrophobicContact CD1-CG1 4.25Å; L830-V837 VanDerWaalsContact O-CA 3.32Å; L830-V837 WeakPolarHBondContact O-CA 3.38Å; A831-V837 HydrophobicContact CB-CG2 4.47Å
838	I	96.4	Very high	94.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.6	170.8	65.1	92.1	0	0	0	109.9	F795 L798 I812 Y829 L830 P877 L879	F795-I838 HydrophobicContact CB-CG2 4.05Å; F795-I838 HydrophobicContact CD1-CG1 4.37Å; F795-I838 HydrophobicContact CD1-CG2 4.21Å; F795-I838 HydrophobicContact CD2-CB 4.44Å; F795-I838 HydrophobicContact CD2-CG1 4.03Å; F795-I838 HydrophobicContact CD2-CG2 3.73Å; F795-I838 HydrophobicContact CE1-CG1 4Å; F795-I838 HydrophobicContact CE2-CB 4.44Å; F795-I838 HydrophobicContact CE2-CG1 3.59Å; F795-I838 HydrophobicContact CE2-CG2 4.2Å; F795-I838 HydrophobicContact CG-CG1 4.41Å; F795-I838 HydrophobicContact CG-CG2 3.74Å; F795-I838 HydrophobicContact CZ-CD1 4.46Å; F795-I838 HydrophobicContact CZ-CG1 3.6Å; L798-I838 HydrophobicContact CD1-CG2 4.24Å; I812-I838 HydrophobicContact CD1-CD1 3.79Å; I812-I838 HydrophobicContact CD1-CG1 4.37Å; Y829-I838 WeakPolarHBondContact CA-O 3.49Å; L830-I838 HydrophobicContact CB-CD1 4.07Å; L830-I838 HydrophobicContact CB-CG1 4.17Å; L830-I838 HydrophobicContact CD1-CD1 3.69Å; L830-I838 HydrophobicContact CG-CD1 4.46Å; L830-I838 PolarHBondContact N-O 3.39Å; L830-I838 PolarHBondContact O-N 3.01Å; I838-P877 HydrophobicContact CB-CB 4.49Å; I838-P877 HydrophobicContact CG2-CB 3.93Å; I838-P877 HydrophobicContact CG2-CG 3.99Å; I838-L879 HydrophobicContact CD1-CD1 3.97Å; I838-L879 HydrophobicContact CD1-CG 4.42Å
839	A	95.7	Very high	93.9	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.1	174.8	0	0	0	0	0	110.3	T827 Y829 I876 P877 Q878 L879	T827-A839 HydrophobicContact CG2-CB 4.07Å; Y829-A839 HydrophobicContact CD1-CB 4.12Å; Y829-A839 HydrophobicContact CE1-CB 3.97Å; A839-I876 HydrophobicContact CB-CD1 3.77Å; A839-I876 HydrophobicContact CB-CG1 4.42Å; A839-P877 PolarHBondContact N-O 3.24Å; A839-Q878 HydrophobicContact CB-CG 4.4Å; A839-Q878 WeakPolarHBondContact O-CA 3.33Å; A839-L879 PolarHBondContact O-N 3.07Å
840	L	96.8	Very high	93.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.8	171.8	175.4	59.4	0	0	0	109.7	T827 V828 L830 I842 L866 L879 A881	T827-L840 CarbonylContact C-O 3.55Å; T827-L840 WeakPolarHBondContact CA-O 3.42Å; V828-L840 HydrophobicContact CB-CB 4.32Å; V828-L840 PolarHBondContact N-O 2.99Å; V828-L840 PolarHBondContact O-N 3.04Å; L830-L840 HydrophobicContact CD1-CB 3.66Å; L830-L840 HydrophobicContact CD1-CD2 4.23Å; L840-I842 HydrophobicContact CG-CG1 4.32Å; L840-L866 HydrophobicContact CD1-CD1 3.92Å; L840-L866 HydrophobicContact CD1-CD2 3.68Å; L840-L866 HydrophobicContact CD1-CG 4.38Å; L840-L879 CarbonylContact C-O 3.57Å; L840-L879 WeakPolarHBondContact CA-O 3.37Å; L840-L879 HydrophobicContact CD1-CB 4.12Å; L840-A881 HydrophobicContact CD1-CB 4.1Å
841	K	95.6	Very high	93.5	Very high	63 Å²	63	45.5 Å²	45.5	27%	0.274	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.5	175.4	-64.5	-68	-179.4	177.6	0	110.6	T827 L879 E880 A881	T827-K841 HydrophobicContact CG2-CD 3.98Å; T827-K841 WeakPolarHBondContact OG1-CD 3.21Å; T827-K841 PolarHBondContact OG1-NZ 2.98Å; K841-L879 PolarHBondContact N-O 3.04Å; K841-E880 WeakPolarHBondContact O-CA 3.45Å; K841-A881 PolarHBondContact O-N 3.16Å
842	I	95.8	Very high	93.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	92.1	177.6	-54.7	171.2	0	0	0	106.8	G825 D826 V828 L840 D844 G845 I846 Y849 W851 L855 A881	G825-I842 WeakPolarHBondContact CA-O 3.33Å; D826-I842 HydrophobicContact CB-CB 4.47Å; D826-I842 PolarHBondContact N-O 3.19Å; D826-I842 PolarHBondContact O-N 2.85Å; V828-I842 HydrophobicContact CG2-CD1 4.09Å; L840-I842 HydrophobicContact CG-CG1 4.32Å; I842-D844 VanDerWaalsContact C-N 3.34Å; I842-D844 PolarHBondContact O-N 3.47Å; I842-G845 PolarHBondContact O-N 2.86Å; I842-I846 HydrophobicContact CD1-CD1 4.4Å; I842-I846 HydrophobicContact CD1-CG1 3.55Å; I842-Y849 HydrophobicContact CG2-CD2 3.62Å; I842-Y849 HydrophobicContact CG2-CE2 3.63Å; I842-W851 HydrophobicContact CD1-CE3 4.17Å; I842-W851 HydrophobicContact CD1-CZ3 4.36Å; I842-L855 HydrophobicContact CD1-CD1 3.51Å; I842-A881 HydrophobicContact CG1-CB 3.97Å
843	G	90.8	Very high	93.1	Very high	38 Å²	38	49.7 Å²	49.7	39%	0.392	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-42.1	-169.8	0	0	0	0	0	113.6	G825 G845	G825-G843 WeakPolarHBondContact CA-O 3.36Å; G843-G845 VanDerWaalsContact C-N 3.26Å; G843-G845 PolarHBondContact O-N 2.68Å
844	D	88.2	Confident	93.2	Very high	95 Å²	95	46.7 Å²	46.7	51%	0.508	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	5.4	179.8	-44.5	-55.3	0	0	0	113.1	I842 N848 Y849	I842-D844 VanDerWaalsContact C-N 3.34Å; I842-D844 PolarHBondContact O-N 3.47Å; D844-N848 HydrophobicContact CB-CB 4.27Å; D844-N848 WeakPolarHBondContact O-CB 3.47Å; D844-N848 PolarHBondContact O-ND2 3.14Å; D844-Y849 HydrophobicContact CB-CE2 3.91Å; D844-Y849 PolarHBondContact OD2-OH 3.48Å
845	G	92	Very high	93.4	Very high	10 Å²	10	44.6 Å²	44.6	10%	0.103	24%	0.242	C	C	.	.			trans	77.8	151.2	-177.3	0	0	0	0	0	114.7	D826 I842 G843 K847 N848 Y849	D826-G845 WeakPolarHBondContact OD2-CA 3.35Å; I842-G845 PolarHBondContact O-N 2.86Å; G843-G845 VanDerWaalsContact C-N 3.26Å; G843-G845 PolarHBondContact O-N 2.68Å; G845-K847 PolarHBondContact O-N 2.81Å; G845-N848 PolarHBondContact O-N 2.81Å; G845-Y849 WeakPolarHBondContact O-CD2 3.4Å
846	I	93.8	Very high	93.6	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.051	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.6	-174.4	-70	164.1	0	0	0	111.9	V819 D826 V828 I842 N848 Y849 C850 W851 E852 L855	V819-I846 HydrophobicContact CG1-CD1 3.55Å; D826-I846 HydrophobicContact CB-CD1 3.75Å; D826-I846 HydrophobicContact CB-CG1 3.75Å; D826-I846 WeakPolarHBondContact OD2-CB 3.44Å; D826-I846 VanDerWaalsContact OD2-CG1 3.3Å; D826-I846 WeakPolarHBondContact OD2-CG1 3.24Å; D826-I846 PolarHBondContact OD2-N 3.21Å; V828-I846 HydrophobicContact CG2-CD1 3.92Å; I842-I846 HydrophobicContact CD1-CD1 4.4Å; I842-I846 HydrophobicContact CD1-CG1 3.55Å; I846-N848 PolarHBondContact O-N 2.62Å; I846-Y849 PolarHBondContact O-N 2.95Å; I846-C850 PolarHBondContact O-N 3.23Å; I846-W851 VanDerWaalsContact CG2-C 3.49Å; I846-W851 HydrophobicContact CG2-CB 3.99Å; I846-W851 PolarHBondContact O-N 3.49Å; I846-W851 VanDerWaalsContact O-N 3.13Å; I846-E852 HydrophobicContact CG2-CB 4.42Å; I846-E852 HydrophobicContact CG2-CG 3.97Å; I846-L855 HydrophobicContact CD1-CD1 4.45Å; I846-L855 HydrophobicContact CG1-CD1 4.04Å; I846-L855 HydrophobicContact CG2-CB 4.46Å; I846-L855 HydrophobicContact CG2-CD1 4.32Å
847	K	91.2	Very high	93.6	Very high	142 Å²	142	44.2 Å²	44.2	62%	0.617	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-40.9	-177.8	-52.8	-153.1	175.3	-164.1	0	112.5	G845 Y849 C850 E852	G845-K847 PolarHBondContact O-N 2.81Å; K847-Y849 PolarHBondContact O-N 2.55Å; K847-C850 PolarHBondContact O-N 2.92Å; K847-E852 HydrophobicContact CB-CG 4.47Å; K847-E852 WeakPolarHBondContact CD-OE1 2.86Å; K847-E852 WeakPolarHBondContact CE-OE1 3.47Å; K847-E852 HydrophobicContact CG-CG 3.99Å; K847-E852 WeakPolarHBondContact CG-OE1 3.07Å; K847-E852 IonicContact NZ-OE1 2.92Å; K847-E852 PolarHBondContact NZ-OE1 3.32Å
848	N	90.2	Very high	93.5	Very high	103 Å²	103	44.7 Å²	44.7	55%	0.551	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.8	-176.5	-76.9	-16.7	0	0	0	112.7	S580 D844 G845 I846	S580-N848 WeakPolarHBondContact CB-O 3.48Å; S580-N848 PolarHBondContact OG-O 3.36Å; D844-N848 HydrophobicContact CB-CB 4.27Å; D844-N848 WeakPolarHBondContact O-CB 3.47Å; D844-N848 PolarHBondContact O-ND2 3.14Å; G845-N848 PolarHBondContact O-N 2.81Å; I846-N848 PolarHBondContact O-N 2.62Å
849	Y	92.7	Very high	93.5	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.027	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.6	174	-65.1	-88.3	0	0	0	113.6	N577 I842 D844 G845 I846 K847 W851 L883	N577-Y849 HydrophobicContact CB-CD1 4.42Å; N577-Y849 PolarHBondContact ND2-O 3.42Å; N577-Y849 PolarHBondContact OD1-O 3.06Å; I842-Y849 HydrophobicContact CG2-CD2 3.62Å; I842-Y849 HydrophobicContact CG2-CE2 3.63Å; D844-Y849 HydrophobicContact CB-CE2 3.91Å; D844-Y849 PolarHBondContact OD2-OH 3.48Å; G845-Y849 WeakPolarHBondContact O-CD2 3.4Å; I846-Y849 PolarHBondContact O-N 2.95Å; K847-Y849 PolarHBondContact O-N 2.55Å; Y849-W851 VanDerWaalsContact C-N 3.28Å; Y849-W851 AromaticContact CD1-CH2 3.81Å; Y849-W851 HydrophobicContact CD1-CH2 3.81Å; Y849-W851 HydrophobicContact CD1-CZ2 4.06Å; Y849-W851 HydrophobicContact CD1-CZ3 4.14Å; Y849-W851 HydrophobicContact CD2-CZ3 4.35Å; Y849-W851 HydrophobicContact CE1-CH2 4.44Å; Y849-W851 HydrophobicContact CG-CD2 4.33Å; Y849-W851 HydrophobicContact CG-CE3 4.06Å; Y849-W851 HydrophobicContact CG-CH2 4.04Å; Y849-W851 HydrophobicContact CG-CZ2 4.33Å; Y849-W851 AromaticContact CG-CZ3 3.91Å; Y849-W851 HydrophobicContact CG-CZ3 3.91Å; Y849-W851 PolarHBondContact O-N 3.27Å; Y849-L883 HydrophobicContact CE1-CD2 3.84Å; Y849-L883 HydrophobicContact CE1-CG 4.24Å
850	C	93.6	Very high	93.5	Very high	36 Å²	36	46.7 Å²	46.7	24%	0.243	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	38.6	-171.4	-66.4	0	0	0	0	114	A579 S580 I846 K847	A579-C850 HydrophobicContact CB-CB 4.13Å; S580-C850 VanDerWaalsContact CA-SG 3.55Å; I846-C850 PolarHBondContact O-N 3.23Å; K847-C850 PolarHBondContact O-N 2.92Å
851	W	94.2	Very high	93.6	Very high	9 Å²	9	46.7 Å²	46.7	3%	0.034	27%	0.269	C	S	.	.			trans	-96.8	6.2	179.2	-66.8	-21.8	0	0	0	114.2	I842 I846 Y849 G853 V854 L855 A881 S885 V887	I842-W851 HydrophobicContact CD1-CE3 4.17Å; I842-W851 HydrophobicContact CD1-CZ3 4.36Å; I846-W851 VanDerWaalsContact CG2-C 3.49Å; I846-W851 HydrophobicContact CG2-CB 3.99Å; I846-W851 PolarHBondContact O-N 3.49Å; I846-W851 VanDerWaalsContact O-N 3.13Å; Y849-W851 VanDerWaalsContact C-N 3.28Å; Y849-W851 AromaticContact CD1-CH2 3.81Å; Y849-W851 HydrophobicContact CD1-CH2 3.81Å; Y849-W851 HydrophobicContact CD1-CZ2 4.06Å; Y849-W851 HydrophobicContact CD1-CZ3 4.14Å; Y849-W851 HydrophobicContact CD2-CZ3 4.35Å; Y849-W851 HydrophobicContact CE1-CH2 4.44Å; Y849-W851 HydrophobicContact CG-CD2 4.33Å; Y849-W851 HydrophobicContact CG-CE3 4.06Å; Y849-W851 HydrophobicContact CG-CH2 4.04Å; Y849-W851 HydrophobicContact CG-CZ2 4.33Å; Y849-W851 AromaticContact CG-CZ3 3.91Å; Y849-W851 HydrophobicContact CG-CZ3 3.91Å; Y849-W851 PolarHBondContact O-N 3.27Å; W851-G853 PolarHBondContact O-N 2.73Å; W851-V854 PolarHBondContact O-N 3.04Å; W851-L855 HydrophobicContact CB-CD1 3.7Å; W851-L855 HydrophobicContact CB-CG 4.05Å; W851-L855 HydrophobicContact CD2-CD1 4.33Å; W851-L855 HydrophobicContact CE3-CD1 3.82Å; W851-L855 HydrophobicContact CG-CD1 4.35Å; W851-L855 PolarHBondContact O-N 2.85Å; W851-A881 HydrophobicContact CH2-CB 4.06Å; W851-A881 HydrophobicContact CZ3-CB 3.74Å; W851-S885 WeakPolarHBondContact CZ2-O 3.48Å; W851-V887 HydrophobicContact CD2-CB 4.07Å; W851-V887 HydrophobicContact CD2-CG2 3.97Å; W851-V887 HydrophobicContact CE3-CB 4.48Å; W851-V887 HydrophobicContact CE3-CG2 3.92Å; W851-V887 HydrophobicContact CG-CB 4.44Å; W851-V887 HydrophobicContact CH2-CG2 3.82Å; W851-V887 HydrophobicContact CZ2-CB 4.31Å; W851-V887 HydrophobicContact CZ2-CG2 3.84Å; W851-V887 HydrophobicContact CZ3-CG2 3.86Å
852	E	92.2	Very high	93.6	Very high	92 Å²	92	43.9 Å²	43.9	43%	0.43	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.5	-179.1	-61.6	172.3	118.9	0	0	112.9	I846 K847 K856	I846-E852 HydrophobicContact CG2-CB 4.42Å; I846-E852 HydrophobicContact CG2-CG 3.97Å; K847-E852 HydrophobicContact CB-CG 4.47Å; K847-E852 WeakPolarHBondContact CD-OE1 2.86Å; K847-E852 WeakPolarHBondContact CE-OE1 3.47Å; K847-E852 HydrophobicContact CG-CG 3.99Å; K847-E852 WeakPolarHBondContact CG-OE1 3.07Å; K847-E852 IonicContact NZ-OE1 2.92Å; K847-E852 PolarHBondContact NZ-OE1 3.32Å; E852-K856 WeakPolarHBondContact O-CE 3.41Å; E852-K856 WeakPolarHBondContact O-CG 3Å
853	G	90.3	Very high	93.7	Very high	40 Å²	40	43.9 Å²	43.9	41%	0.412	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.9	175.6	0	0	0	0	0	113.5	W851	W851-G853 PolarHBondContact O-N 2.73Å
854	V	94	Very high	94	Very high	34 Å²	34	42.7 Å²	42.7	21%	0.206	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-47	-170.3	-174.3	0	0	0	0	110.9	W851 K856 N859 V861 V887 Q889	W851-V854 PolarHBondContact O-N 3.04Å; V854-K856 PolarHBondContact O-N 2.81Å; V854-K856 VanDerWaalsContact O-N 3.12Å; V854-N859 PolarHBondContact O-ND2 3.01Å; V854-V861 HydrophobicContact CG1-CG1 3.94Å; V854-V887 HydrophobicContact CG1-CG1 3.85Å; V854-Q889 HydrophobicContact CG1-CG 4.11Å; V854-Q889 PolarHBondContact O-NE2 2.77Å
855	L	95.5	Very high	94.3	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.031	22%	0.218	C	C	.	.	S	Bend	trans	-87.1	67.6	-176.2	-68.1	174.1	0	0	0	111.7	I816 V828 I842 I846 W851 V861 V887	I816-L855 HydrophobicContact CD1-CB 4.27Å; I816-L855 HydrophobicContact CD1-CD2 3.67Å; V828-L855 HydrophobicContact CG1-CD2 4.33Å; V828-L855 HydrophobicContact CG2-CB 4.46Å; V828-L855 HydrophobicContact CG2-CD1 4.16Å; V828-L855 HydrophobicContact CG2-CD2 4.42Å; I842-L855 HydrophobicContact CD1-CD1 3.51Å; I846-L855 HydrophobicContact CD1-CD1 4.45Å; I846-L855 HydrophobicContact CG1-CD1 4.04Å; I846-L855 HydrophobicContact CG2-CB 4.46Å; I846-L855 HydrophobicContact CG2-CD1 4.32Å; W851-L855 HydrophobicContact CB-CD1 3.7Å; W851-L855 HydrophobicContact CB-CG 4.05Å; W851-L855 HydrophobicContact CD2-CD1 4.33Å; W851-L855 HydrophobicContact CE3-CD1 3.82Å; W851-L855 HydrophobicContact CG-CD1 4.35Å; W851-L855 PolarHBondContact O-N 2.85Å; L855-V861 HydrophobicContact CD2-CG2 4.46Å; L855-V887 HydrophobicContact CD2-CG1 3.72Å; L855-V887 HydrophobicContact CG-CG1 4.14Å
856	K	95	Very high	94.6	Very high	115 Å²	115	37.9 Å²	37.9	50%	0.5	21%	0.214	S	C	.	.			trans	-116.3	147.8	174.4	-58.3	-179.1	177.7	176.9	0	110.7	I816 E852 V854 G858 N859	I816-K856 WeakPolarHBondContact CB-O 3.44Å; E852-K856 WeakPolarHBondContact O-CE 3.41Å; E852-K856 WeakPolarHBondContact O-CG 3Å; V854-K856 PolarHBondContact O-N 2.81Å; V854-K856 VanDerWaalsContact O-N 3.12Å; K856-G858 PolarHBondContact O-N 3.09Å; K856-N859 WeakPolarHBondContact O-CB 3.49Å; K856-N859 PolarHBondContact O-N 3.2Å; K856-N859 VanDerWaalsContact O-N 3.12Å
857	T	95.8	Very high	94.6	Very high	89 Å²	89	39.4 Å²	39.4	55%	0.546	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	137.6	173	48.4	0	0	0	0	110.6	I816 V819 N859	I816-T857 HydrophobicContact CG2-CG2 4.46Å; I816-T857 WeakPolarHBondContact O-CA 3.07Å; V819-T857 HydrophobicContact CG2-CG2 4.47Å; T857-N859 VanDerWaalsContact C-N 3.34Å
858	G	94.2	Very high	94.7	Very high	45 Å²	45	33.3 Å²	33.3	46%	0.464	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-12.1	-175.5	0	0	0	0	0	115.2	F815 I816 K856	F815-G858 VanDerWaalsContact CE2-C 3.48Å; F815-G858 WeakPolarHBondContact CE2-O 3.34Å; I816-G858 PolarHBondContact O-N 2.81Å; K856-G858 PolarHBondContact O-N 3.09Å
859	N	96	Very high	94.6	Very high	37 Å²	37	32.2 Å²	32.2	20%	0.198	19%	0.187	C	C	.	.			trans	-83.9	141.4	178.6	-67	-15	0	0	0	111.8	I816 V854 K856 T857 V861 Q889	I816-N859 HydrophobicContact CD1-CB 4.35Å; I816-N859 PolarHBondContact N-O 2.78Å; V854-N859 PolarHBondContact O-ND2 3.01Å; K856-N859 WeakPolarHBondContact O-CB 3.49Å; K856-N859 PolarHBondContact O-N 3.2Å; K856-N859 VanDerWaalsContact O-N 3.12Å; T857-N859 VanDerWaalsContact C-N 3.34Å; N859-V861 HydrophobicContact CB-CG1 4.26Å; N859-Q889 PolarHBondContact ND2-NE2 3.08Å
860	V	96.7	Very high	94.1	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.4	162.3	-178.8	0	0	0	0	108.5	V813 G814 F815 V900 F903 K904 I907	V813-V860 HydrophobicContact CG1-CG1 4.07Å; G814-V860 WeakPolarHBondContact O-CA 3.29Å; F815-V860 HydrophobicContact CD2-CG2 3.92Å; V860-V900 HydrophobicContact CG1-CG1 4.09Å; V860-F903 HydrophobicContact CG1-CD1 3.73Å; V860-F903 HydrophobicContact CG1-CE1 4.45Å; V860-F903 HydrophobicContact CG1-CG 4.46Å; V860-F903 HydrophobicContact CG2-CD1 4.46Å; V860-K904 HydrophobicContact CB-CG 3.94Å; V860-K904 HydrophobicContact CG1-CG 4.3Å; V860-K904 HydrophobicContact CG2-CG 3.8Å; V860-I907 HydrophobicContact CG2-CD1 3.41Å; V860-I907 VanDerWaalsContact CG2-CD1 3.41Å
861	V	97.1	Very high	93.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.3	-178.3	-63.2	0	0	0	0	111.2	V813 G814 I816 L830 V854 L855 N859 V887 Q889	V813-V861 WeakPolarHBondContact CA-O 3.48Å; G814-V861 PolarHBondContact N-O 3.35Å; G814-V861 PolarHBondContact O-N 3.36Å; I816-V861 HydrophobicContact CD1-CG1 3.8Å; I816-V861 HydrophobicContact CD1-CG2 3.89Å; I816-V861 HydrophobicContact CG1-CG1 4.48Å; I816-V861 HydrophobicContact CG1-CG2 3.93Å; L830-V861 HydrophobicContact CD2-CG2 3.51Å; V854-V861 HydrophobicContact CG1-CG1 3.94Å; L855-V861 HydrophobicContact CD2-CG2 4.46Å; N859-V861 HydrophobicContact CB-CG1 4.26Å; V861-V887 HydrophobicContact CB-CG1 4.25Å; V861-Q889 HydrophobicContact CG1-CG 4Å
862	A	97.3	Very high	92.5	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.025	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.2	163	0	0	0	0	0	109.2	I812 V813 V887 K888 P891 I896 V900	I812-A862 WeakPolarHBondContact O-CA 3.47Å; V813-A862 HydrophobicContact CG2-CB 4.18Å; A862-V887 WeakPolarHBondContact O-CA 3.14Å; A862-K888 PolarHBondContact N-O 3.44Å; A862-K888 PolarHBondContact O-N 2.93Å; A862-P891 HydrophobicContact CB-CB 4.28Å; A862-P891 HydrophobicContact CB-CG 3.93Å; A862-I896 HydrophobicContact CB-CG2 3.36Å; A862-V900 HydrophobicContact CB-CG2 3.9Å
863	C	97	Very high	91.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.2	176.7	-55.6	0	0	0	0	108.9	D811 I812 L866 S886 V887	D811-C863 CarbonylContact C-O 3.55Å; D811-C863 WeakPolarHBondContact CA-O 3.3Å; I812-C863 HydrophobicContact CD1-CB 4.45Å; I812-C863 HydrophobicContact CG1-CB 3.83Å; I812-C863 PolarHBondContact N-O 2.93Å; I812-C863 PolarHBondContact O-N 3.23Å; C863-L866 HydrophobicContact CB-CD1 3.54Å; C863-L866 HydrophobicContact CB-CD2 4.23Å; C863-L866 HydrophobicContact CB-CG 3.92Å; C863-S886 CarbonylContact C-O 3.58Å; C863-S886 VanDerWaalsContact CA-O 3.29Å; C863-S886 WeakPolarHBondContact CA-O 3.33Å; C863-V887 HydrophobicContact CB-CG2 4.47Å
864	Q	96.2	Very high	91.3	Very high	13 Å²	13	49 Å²	49	6%	0.061	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	154.3	179.2	-65.5	170.8	-58.4	0	0	111.1	D811 L866 S885 S886 E893 I896	D811-Q864 HydrophobicContact CB-CG 4.44Å; D811-Q864 WeakPolarHBondContact OD1-CA 3.03Å; D811-Q864 WeakPolarHBondContact OD1-CB 3.37Å; Q864-L866 VanDerWaalsContact C-N 3.27Å; Q864-L866 PolarHBondContact O-N 3.13Å; Q864-S885 VanDerWaalsContact O-CA 3.27Å; Q864-S885 WeakPolarHBondContact O-CA 3.09Å; Q864-S886 PolarHBondContact N-O 3.49Å; Q864-S886 PolarHBondContact O-N 3.14Å; Q864-E893 PolarHBondContact NE2-OE1 3.36Å; Q864-I896 HydrophobicContact CG-CD1 3.78Å
865	N	95.7	Very high	91	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.027	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	54.6	42	177.8	-39.1	-35.1	0	0	0	112	Y560 R790 V810 D811 L884 S885	Y560-N865 HydrophobicContact CD1-CB 4.2Å; Y560-N865 WeakPolarHBondContact CD1-ND2 3.38Å; Y560-N865 HydrophobicContact CE1-CB 4.1Å; R790-N865 PolarHBondContact NH1-OD1 3.48Å; R790-N865 PolarHBondContact NH2-OD1 3.15Å; V810-N865 PolarHBondContact O-N 2.9Å; D811-N865 PolarHBondContact OD1-N 3.02Å; N865-L884 PolarHBondContact ND2-O 3.08Å; N865-S885 PolarHBondContact O-OG 2.86Å
866	L	96.9	Very high	90.8	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	139.2	172.9	-63.2	-175.6	0	0	0	109.7	E809 V810 I812 L840 C863 Q864 L879 A881	E809-L866 CarbonylContact C-O 3.54Å; E809-L866 VanDerWaalsContact CA-O 3.28Å; E809-L866 WeakPolarHBondContact CA-O 3.38Å; V810-L866 HydrophobicContact CG2-CB 4.11Å; V810-L866 PolarHBondContact N-O 2.69Å; V810-L866 PolarHBondContact O-N 2.62Å; I812-L866 HydrophobicContact CD1-CD1 3.79Å; I812-L866 HydrophobicContact CG1-CD1 3.86Å; L840-L866 HydrophobicContact CD1-CD1 3.92Å; L840-L866 HydrophobicContact CD1-CD2 3.68Å; L840-L866 HydrophobicContact CD1-CG 4.38Å; C863-L866 HydrophobicContact CB-CD1 3.54Å; C863-L866 HydrophobicContact CB-CD2 4.23Å; C863-L866 HydrophobicContact CB-CG 3.92Å; Q864-L866 VanDerWaalsContact C-N 3.27Å; Q864-L866 PolarHBondContact O-N 3.13Å; L866-L879 HydrophobicContact CB-CB 4.3Å; L866-L879 HydrophobicContact CB-CD1 4.29Å; L866-L879 HydrophobicContact CD1-CB 4.17Å; L866-L879 HydrophobicContact CD1-CD1 3.57Å; L866-A881 HydrophobicContact CD2-CB 4.24Å
867	V	95	Very high	90.7	Very high	41 Å²	41	56.1 Å²	56.1	25%	0.248	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.6	177	179	0	0	0	0	109.4	D808 K869 L879 E880 T882	D808-V867 WeakPolarHBondContact O-CA 3.49Å; V867-K869 PolarHBondContact O-N 2.83Å; V867-L879 CarbonylContact O-C 3.52Å; V867-L879 WeakPolarHBondContact O-CA 3.43Å; V867-E880 HydrophobicContact CB-CB 4.37Å; V867-E880 PolarHBondContact N-O 2.69Å; V867-E880 PolarHBondContact O-N 2.86Å; V867-T882 HydrophobicContact CG2-CG2 3.79Å
868	H	93.6	Very high	90.6	Very high	15 Å²	15	54.2 Å²	54.2	7%	0.069	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	108.7	178.8	-178	-158.2	0	0	0	111.1	D808 R870 L879	D808-H868 PolarHBondContact O-N 2.68Å; H868-R870 PolarHBondContact O-N 3.37Å; H868-L879 HydrophobicContact CB-CD2 3.93Å
869	K	88	Confident	90.7	Very high	80 Å²	80	52.1 Å²	52.1	35%	0.348	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	104.1	175.6	-75.1	-166.5	169.8	164.4	0	110.7	V867 L871 Q878 E880	V867-K869 PolarHBondContact O-N 2.83Å; K869-L871 VanDerWaalsContact C-N 3.31Å; K869-L871 HydrophobicContact CB-CG 4.38Å; K869-L871 PolarHBondContact O-N 2.97Å; K869-Q878 HydrophobicContact CB-CB 4.5Å; K869-Q878 PolarHBondContact N-O 2.95Å; K869-E880 HydrophobicContact CD-CB 4.41Å; K869-E880 VanDerWaalsContact CE-CD 3.45Å; K869-E880 WeakPolarHBondContact CE-OE2 3.21Å; K869-E880 HydrophobicContact CG-CB 4.48Å; K869-E880 IonicContact NZ-OE1 2.79Å; K869-E880 PolarHBondContact NZ-OE1 3.16Å; K869-E880 IonicContact NZ-OE2 3.29Å; K869-E880 PolarHBondContact NZ-OE2 3.15Å
870	R	81.3	Confident	90.7	Very high	122 Å²	122	52.8 Å²	52.8	46%	0.46	26%	0.259	S	S	.	.			trans	-75.9	82.4	174.6	-60.5	-171.3	-153.8	175.6	12.8	111.1	D808 H868	D808-R870 IonicContact OD1-CZ 3.32Å; D808-R870 IonicContact OD1-NE 2.73Å; D808-R870 IonicContact OD1-NH2 3.28Å; D808-R870 PolarHBondContact OD1-NH2 2.78Å; H868-R870 PolarHBondContact O-N 3.37Å
871	L	81	Confident	90.6	Very high	87 Å²	87	52.6 Å²	52.6	46%	0.455	26%	0.258	S	S	.	.			trans	-85.7	123.6	175.9	-67.2	173.1	0	0	0	110.3	K869 N873 A874 Q878	K869-L871 VanDerWaalsContact C-N 3.31Å; K869-L871 HydrophobicContact CB-CG 4.38Å; K869-L871 PolarHBondContact O-N 2.97Å; L871-N873 PolarHBondContact O-N 2.97Å; L871-A874 HydrophobicContact CB-CB 3.9Å; L871-A874 PolarHBondContact O-N 3.18Å; L871-Q878 HydrophobicContact CD1-CB 4.14Å; L871-Q878 VanDerWaalsContact CD1-CD 3.41Å; L871-Q878 HydrophobicContact CD1-CG 4.02Å
872	V	73.6	Confident	90.4	Very high	129 Å²	129	54.5 Å²	54.5	78%	0.782	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	123.7	172.6	-168.8	0	0	0	0	107.9
873	N	76	Confident	90.2	Very high	155 Å²	155	56.6 Å²	56.6	83%	0.829	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	17.7	179.1	-48.1	-36.9	0	0	0	117.5	L871 R875	L871-N873 PolarHBondContact O-N 2.97Å; N873-R875 PolarHBondContact O-N 3.39Å
874	A	81.2	Confident	90	Very high	43 Å²	43	58 Å²	58	36%	0.355	29%	0.288	S	S	.	.			trans	-68.9	125.1	171.9	0	0	0	0	0	111.2	L871 I876	L871-A874 HydrophobicContact CB-CB 3.9Å; L871-A874 PolarHBondContact O-N 3.18Å; A874-I876 WeakPolarHBondContact CB-O 3.26Å; A874-I876 PolarHBondContact O-N 3.33Å
875	R	87.1	Confident	90	Very high	247 Å²	247	57.6 Å²	57.6	93%	0.932	29%	0.286	S	S	*	.	S	Bend	trans	-64.6	-25.9	178.3	-69.4	-172.3	-175.2	-177.5	1.8	113.5	N873	N873-R875 PolarHBondContact O-N 3.39Å
876	I	91.6	Very high	90	Very high	45 Å²	45	58.2 Å²	58.2	23%	0.231	29%	0.291	C	S	.	.	S	Bend	trans	-133.4	144.4	176.5	54.6	175.5	0	0	0	108.1	Y829 A839 A874	Y829-I876 HydrophobicContact CD1-CD1 3.99Å; Y829-I876 HydrophobicContact CE1-CD1 3.7Å; A839-I876 HydrophobicContact CB-CD1 3.77Å; A839-I876 HydrophobicContact CB-CG1 4.42Å; A874-I876 WeakPolarHBondContact CB-O 3.26Å; A874-I876 PolarHBondContact O-N 3.33Å
877	P	93.6	Very high	89.9	Confident	12 Å²	12	58.5 Å²	58.5	8%	0.078	29%	0.293	C	S	.	.			trans	-57.3	141	175.2	-23	32.6	0	0	0	111.6	L798 R799 I838 A839	L798-P877 HydrophobicContact CB-CB 3.81Å; L798-P877 HydrophobicContact CB-CG 3.89Å; R799-P877 HydrophobicContact CG-CG 3.64Å; I838-P877 HydrophobicContact CB-CB 4.49Å; I838-P877 HydrophobicContact CG2-CB 3.93Å; I838-P877 HydrophobicContact CG2-CG 3.99Å; A839-P877 PolarHBondContact N-O 3.24Å
878	Q	93.6	Very high	89.9	Confident	50 Å²	50	59.8 Å²	59.8	23%	0.234	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.8	177.5	-65.2	-160.4	3.4	0	0	111	A839 K869 L871	A839-Q878 HydrophobicContact CB-CG 4.4Å; A839-Q878 WeakPolarHBondContact O-CA 3.33Å; K869-Q878 HydrophobicContact CB-CB 4.5Å; K869-Q878 PolarHBondContact N-O 2.95Å; L871-Q878 HydrophobicContact CD1-CB 4.14Å; L871-Q878 VanDerWaalsContact CD1-CD 3.41Å; L871-Q878 HydrophobicContact CD1-CG 4.02Å
879	L	96.1	Very high	89.9	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	152.7	171.9	-57.7	-176.9	0	0	0	109.2	L798 V810 I812 I838 A839 L840 K841 L866 V867 H868	L798-L879 HydrophobicContact CD1-CD1 4.1Å; L798-L879 HydrophobicContact CD1-CD2 4.23Å; L798-L879 HydrophobicContact CD1-CG 4.46Å; L798-L879 HydrophobicContact CD2-CD2 4.21Å; V810-L879 HydrophobicContact CG2-CD1 3.9Å; V810-L879 HydrophobicContact CG2-CD2 3.71Å; V810-L879 HydrophobicContact CG2-CG 4.46Å; I812-L879 HydrophobicContact CD1-CD1 3.73Å; I812-L879 HydrophobicContact CG1-CD1 4.5Å; I812-L879 HydrophobicContact CG2-CD1 4.29Å; I838-L879 HydrophobicContact CD1-CD1 3.97Å; I838-L879 HydrophobicContact CD1-CG 4.42Å; A839-L879 PolarHBondContact O-N 3.07Å; L840-L879 CarbonylContact C-O 3.57Å; L840-L879 WeakPolarHBondContact CA-O 3.37Å; L840-L879 HydrophobicContact CD1-CB 4.12Å; K841-L879 PolarHBondContact N-O 3.04Å; L866-L879 HydrophobicContact CB-CB 4.3Å; L866-L879 HydrophobicContact CB-CD1 4.29Å; L866-L879 HydrophobicContact CD1-CB 4.17Å; L866-L879 HydrophobicContact CD1-CD1 3.57Å; V867-L879 CarbonylContact O-C 3.52Å; V867-L879 WeakPolarHBondContact O-CA 3.43Å; H868-L879 HydrophobicContact CB-CD2 3.93Å
880	E	95.5	Very high	90.2	Very high	52 Å²	52	63.4 Å²	63.4	24%	0.243	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.5	175	177.3	170.9	-121.1	0	0	110.2	K841 V867 K869	K841-E880 WeakPolarHBondContact O-CA 3.45Å; V867-E880 HydrophobicContact CB-CB 4.37Å; V867-E880 PolarHBondContact N-O 2.69Å; V867-E880 PolarHBondContact O-N 2.86Å; K869-E880 HydrophobicContact CD-CB 4.41Å; K869-E880 VanDerWaalsContact CE-CD 3.45Å; K869-E880 WeakPolarHBondContact CE-OE2 3.21Å; K869-E880 HydrophobicContact CG-CB 4.48Å; K869-E880 IonicContact NZ-OE1 2.79Å; K869-E880 PolarHBondContact NZ-OE1 3.16Å; K869-E880 IonicContact NZ-OE2 3.29Å; K869-E880 PolarHBondContact NZ-OE2 3.15Å
881	A	95.7	Very high	90.8	Very high	4 Å²	4	57.9 Å²	57.9	3%	0.033	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	140.2	167.5	0	0	0	0	0	110.2	L840 K841 I842 W851 L866	L840-A881 HydrophobicContact CD1-CB 4.1Å; K841-A881 PolarHBondContact O-N 3.16Å; I842-A881 HydrophobicContact CG1-CB 3.97Å; W851-A881 HydrophobicContact CH2-CB 4.06Å; W851-A881 HydrophobicContact CZ3-CB 3.74Å; L866-A881 HydrophobicContact CD2-CB 4.24Å
882	T	92.7	Very high	91.2	Very high	41 Å²	41	64.9 Å²	64.9	25%	0.252	32%	0.317	S	S	.	.			trans	-124.9	177.3	174.2	70.5	0	0	0	0	110	V867 L884 S885	V867-T882 HydrophobicContact CG2-CG2 3.79Å; T882-L884 PolarHBondContact O-N 3.02Å; T882-L884 VanDerWaalsContact O-N 3.08Å; T882-L884 PolarHBondContact OG1-N 3.47Å; T882-S885 PolarHBondContact N-OG 2.96Å; T882-S885 VanDerWaalsContact O-CB 3.31Å; T882-S885 WeakPolarHBondContact O-CB 3.48Å; T882-S885 PolarHBondContact O-N 3.17Å; T882-S885 PolarHBondContact O-OG 3.37Å; T882-S885 PolarHBondContact OG1-OG 2.63Å
883	L	92.4	Very high	91.9	Very high	47 Å²	47	61.8 Å²	61.8	25%	0.246	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.2	171.7	-70.3	165.7	0	0	0	114.5	V563 L575 Y849	V563-L883 HydrophobicContact CG1-CB 4.34Å; L575-L883 HydrophobicContact CB-CD1 3.54Å; L575-L883 HydrophobicContact CD1-CD1 4.19Å; Y849-L883 HydrophobicContact CE1-CD2 3.84Å; Y849-L883 HydrophobicContact CE1-CG 4.24Å
884	L	93.9	Very high	92.6	Very high	30 Å²	30	61.7 Å²	61.7	16%	0.157	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-12.4	176.2	-60.5	-177.8	0	0	0	113.1	Y560 P561 V563 K708 N865 T882	Y560-L884 HydrophobicContact CD1-CB 3.85Å; Y560-L884 HydrophobicContact CD1-CD1 4.09Å; Y560-L884 HydrophobicContact CD1-CG 4.39Å; Y560-L884 HydrophobicContact CD2-CD1 3.94Å; Y560-L884 HydrophobicContact CD2-CD2 4.41Å; Y560-L884 HydrophobicContact CE1-CB 4.39Å; Y560-L884 HydrophobicContact CE1-CD1 4.22Å; Y560-L884 HydrophobicContact CE2-CD1 4.05Å; Y560-L884 HydrophobicContact CG-CB 4.18Å; Y560-L884 HydrophobicContact CG-CD1 3.97Å; Y560-L884 HydrophobicContact CG-CD2 4.02Å; Y560-L884 HydrophobicContact CG-CG 4.28Å; P561-L884 WeakPolarHBondContact CD-O 3.46Å; V563-L884 HydrophobicContact CG1-CD2 4.07Å; K708-L884 HydrophobicContact CB-CD2 4.03Å; K708-L884 HydrophobicContact CD-CD2 3.5Å; K708-L884 HydrophobicContact CG-CD2 4.34Å; N865-L884 PolarHBondContact ND2-O 3.08Å; T882-L884 PolarHBondContact O-N 3.02Å; T882-L884 VanDerWaalsContact O-N 3.08Å; T882-L884 PolarHBondContact OG1-N 3.47Å
885	S	95.9	Very high	93	Very high	5 Å²	5	63.6 Å²	63.6	4%	0.035	29%	0.29	C	S	.	.			trans	-73.9	145.8	-179.5	-54.1	0	0	0	0	111.1	W851 Q864 N865 T882	W851-S885 WeakPolarHBondContact CZ2-O 3.48Å; Q864-S885 VanDerWaalsContact O-CA 3.27Å; Q864-S885 WeakPolarHBondContact O-CA 3.09Å; N865-S885 PolarHBondContact O-OG 2.86Å; T882-S885 PolarHBondContact N-OG 2.96Å; T882-S885 VanDerWaalsContact O-CB 3.31Å; T882-S885 WeakPolarHBondContact O-CB 3.48Å; T882-S885 PolarHBondContact O-N 3.17Å; T882-S885 PolarHBondContact O-OG 3.37Å; T882-S885 PolarHBondContact OG1-OG 2.63Å
886	S	94.9	Very high	93.3	Very high	17 Å²	17	51.9 Å²	51.9	12%	0.119	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.4	175.3	-159.6	0	0	0	0	109.6	C863 Q864 K888	C863-S886 CarbonylContact C-O 3.58Å; C863-S886 VanDerWaalsContact CA-O 3.29Å; C863-S886 WeakPolarHBondContact CA-O 3.33Å; Q864-S886 PolarHBondContact N-O 3.49Å; Q864-S886 PolarHBondContact O-N 3.14Å; S886-K888 VanDerWaalsContact OG-CE 3.31Å; S886-K888 WeakPolarHBondContact OG-CE 3.31Å
887	V	95.4	Very high	93.5	Very high	7 Å²	7	52 Å²	52	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.5	176.8	-176.1	0	0	0	0	108.4	W851 V854 L855 V861 A862 C863	W851-V887 HydrophobicContact CD2-CB 4.07Å; W851-V887 HydrophobicContact CD2-CG2 3.97Å; W851-V887 HydrophobicContact CE3-CB 4.48Å; W851-V887 HydrophobicContact CE3-CG2 3.92Å; W851-V887 HydrophobicContact CG-CB 4.44Å; W851-V887 HydrophobicContact CH2-CG2 3.82Å; W851-V887 HydrophobicContact CZ2-CB 4.31Å; W851-V887 HydrophobicContact CZ2-CG2 3.84Å; W851-V887 HydrophobicContact CZ3-CG2 3.86Å; V854-V887 HydrophobicContact CG1-CG1 3.85Å; L855-V887 HydrophobicContact CD2-CG1 3.72Å; L855-V887 HydrophobicContact CG-CG1 4.14Å; V861-V887 HydrophobicContact CB-CG1 4.25Å; A862-V887 WeakPolarHBondContact O-CA 3.14Å; C863-V887 HydrophobicContact CB-CG2 4.47Å
888	K	94.9	Very high	93.5	Very high	67 Å²	67	53.6 Å²	53.6	29%	0.291	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	142.9	-174.6	-63.4	177.3	-177.8	163.4	0	110.9	A862 S886	A862-K888 PolarHBondContact N-O 3.44Å; A862-K888 PolarHBondContact O-N 2.93Å; S886-K888 VanDerWaalsContact OG-CE 3.31Å; S886-K888 WeakPolarHBondContact OG-CE 3.31Å
889	Q	94.3	Very high	93.6	Very high	57 Å²	57	52.3 Å²	52.3	27%	0.266	26%	0.26	S	S	.	.	S	Bend	trans	-82.3	-28.2	167.8	-78.6	176.6	35.1	0	0	112.9	V854 N859 V861	V854-Q889 HydrophobicContact CG1-CG 4.11Å; V854-Q889 PolarHBondContact O-NE2 2.77Å; N859-Q889 PolarHBondContact ND2-NE2 3.08Å; V861-Q889 HydrophobicContact CG1-CG 4Å
890	N	93.4	Very high	93.6	Very high	114 Å²	114	52.6 Å²	52.6	61%	0.61	26%	0.262	S	S	*	.	S	Bend	trans	-128.3	77.6	-177.9	-59.4	-37.1	0	0	0	108.6
891	P	93.1	Very high	93.5	Very high	7 Å²	7	52.9 Å²	52.9	5%	0.045	27%	0.273	C	S	.	.			trans	-66.7	151.1	178	29.2	-34.5	0	0	0	111	A862 I896 S897 V900	A862-P891 HydrophobicContact CB-CB 4.28Å; A862-P891 HydrophobicContact CB-CG 3.93Å; P891-I896 HydrophobicContact CB-CB 4.2Å; P891-I896 HydrophobicContact CB-CG2 3.97Å; P891-I896 HydrophobicContact CG-CB 4.05Å; P891-I896 HydrophobicContact CG-CG2 3.66Å; P891-S897 WeakPolarHBondContact O-CB 3.49Å; P891-V900 HydrophobicContact CG-CG2 4.07Å
892	R	90	Very high	93.5	Very high	233 Å²	233	58.2 Å²	58.2	88%	0.879	30%	0.301	S	S	*	.	S	Bend	trans	-85.9	-26.4	-178.2	-69	-175.1	179.5	175.6	-0.5	111.8	H894	R892-H894 PolarHBondContact O-N 2.74Å
893	E	88.8	Confident	93.6	Very high	64 Å²	64	56.9 Å²	56.9	30%	0.299	29%	0.291	S	S	.	.	S	Bend	trans	-70.6	120.5	-176.7	-60	84.4	165.9	0	0	110.3	Q864 H895 I896 S897	Q864-E893 PolarHBondContact NE2-OE1 3.36Å; E893-H895 VanDerWaalsContact C-N 3.32Å; E893-H895 PolarHBondContact O-N 3.35Å; E893-I896 HydrophobicContact CB-CB 4.49Å; E893-I896 HydrophobicContact CB-CD1 4.23Å; E893-I896 HydrophobicContact CB-CG1 4.2Å; E893-I896 PolarHBondContact O-N 3.5Å; E893-S897 WeakPolarHBondContact O-CB 3.44Å; E893-S897 PolarHBondContact O-N 3.38Å
894	H	90.6	Very high	93.7	Very high	154 Å²	154	57.9 Å²	57.9	71%	0.713	29%	0.294	S	S	*	.	H	α-helix	trans	-52	-45.3	-172.4	-179.2	-85.2	0	0	0	113.8	R892 I896 S897 S898	R892-H894 PolarHBondContact O-N 2.74Å; H894-I896 VanDerWaalsContact C-N 3.33Å; H894-I896 PolarHBondContact O-N 3.01Å; H894-S897 PolarHBondContact O-N 3.24Å; H894-S898 PolarHBondContact CE1-OG 3.43Å; H894-S898 VanDerWaalsContact O-CB 3.27Å; H894-S898 WeakPolarHBondContact O-CB 3.47Å; H894-S898 PolarHBondContact O-N 3.16Å; H894-S898 PolarHBondContact O-OG 3.07Å
895	H	89.3	Confident	93.7	Very high	82 Å²	82	62.9 Å²	62.9	38%	0.38	31%	0.314	S	S	.	.	H	α-helix	trans	-65.6	-33.8	-177.4	70.6	-83.1	0	0	0	113	E893 A899	E893-H895 VanDerWaalsContact C-N 3.32Å; E893-H895 PolarHBondContact O-N 3.35Å; H895-A899 PolarHBondContact O-N 2.97Å
896	I	93.4	Very high	93.5	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-82.4	-42.3	178.5	-50.5	-175.8	0	0	0	110.3	L792 V813 A862 Q864 P891 E893 H894 S898 A899 V900	L792-I896 HydrophobicContact CD2-CG1 4.34Å; L792-I896 HydrophobicContact CD2-CG2 4.45Å; V813-I896 HydrophobicContact CG2-CG2 4.04Å; A862-I896 HydrophobicContact CB-CG2 3.36Å; Q864-I896 HydrophobicContact CG-CD1 3.78Å; P891-I896 HydrophobicContact CB-CB 4.2Å; P891-I896 HydrophobicContact CB-CG2 3.97Å; P891-I896 HydrophobicContact CG-CB 4.05Å; P891-I896 HydrophobicContact CG-CG2 3.66Å; E893-I896 HydrophobicContact CB-CB 4.49Å; E893-I896 HydrophobicContact CB-CD1 4.23Å; E893-I896 HydrophobicContact CB-CG1 4.2Å; E893-I896 PolarHBondContact O-N 3.5Å; H894-I896 VanDerWaalsContact C-N 3.33Å; H894-I896 PolarHBondContact O-N 3.01Å; I896-S898 VanDerWaalsContact C-N 3.29Å; I896-S898 PolarHBondContact O-N 3.25Å; I896-A899 PolarHBondContact O-N 3.25Å; I896-A899 VanDerWaalsContact O-N 3.14Å; I896-V900 WeakPolarHBondContact O-CG2 3.27Å; I896-V900 PolarHBondContact O-N 3.32Å
897	S	95.2	Very high	93.3	Very high	49 Å²	49	67.6 Å²	67.6	34%	0.343	33%	0.334	S	S	.	.	H	α-helix	trans	-59	-42.9	176.6	-171.9	0	0	0	0	111.4	P891 E893 H894 A899 V900 A901	P891-S897 WeakPolarHBondContact O-CB 3.49Å; E893-S897 WeakPolarHBondContact O-CB 3.44Å; E893-S897 PolarHBondContact O-N 3.38Å; H894-S897 PolarHBondContact O-N 3.24Å; S897-A899 PolarHBondContact O-N 3.37Å; S897-V900 PolarHBondContact O-N 2.99Å; S897-A901 WeakPolarHBondContact O-CB 3.39Å; S897-A901 PolarHBondContact O-N 3.5Å
898	S	95	Very high	93.1	Very high	44 Å²	44	74.2 Å²	74.2	31%	0.308	37%	0.365	S	S	.	.	H	α-helix	trans	-60.2	-44.8	173.7	-59.9	0	0	0	0	112	H894 I896 A901 L902	H894-S898 PolarHBondContact CE1-OG 3.43Å; H894-S898 VanDerWaalsContact O-CB 3.27Å; H894-S898 WeakPolarHBondContact O-CB 3.47Å; H894-S898 PolarHBondContact O-N 3.16Å; H894-S898 PolarHBondContact O-OG 3.07Å; I896-S898 VanDerWaalsContact C-N 3.29Å; I896-S898 PolarHBondContact O-N 3.25Å; S898-A901 PolarHBondContact O-N 3.15Å; S898-L902 WeakPolarHBondContact O-CB 3.45Å; S898-L902 WeakPolarHBondContact O-CG 3.14Å; S898-L902 PolarHBondContact O-N 2.92Å
899	A	94.7	Very high	92.9	Very high	24 Å²	24	76.3 Å²	76.3	20%	0.198	38%	0.383	C	S	.	.	H	α-helix	trans	-64.9	-41.3	178.1	0	0	0	0	0	112.5	L792 V813 H895 I896 S897 L902 F903	L792-A899 HydrophobicContact CD1-CB 3.35Å; V813-A899 HydrophobicContact CG2-CB 4.19Å; H895-A899 PolarHBondContact O-N 2.97Å; I896-A899 PolarHBondContact O-N 3.25Å; I896-A899 VanDerWaalsContact O-N 3.14Å; S897-A899 PolarHBondContact O-N 3.37Å; A899-L902 PolarHBondContact O-N 3.48Å; A899-F903 WeakPolarHBondContact O-CB 3.5Å; A899-F903 PolarHBondContact O-N 3.47Å
900	V	96.1	Very high	92.4	Very high	5 Å²	5	78 Å²	78	3%	0.03	40%	0.4	C	S	.	.	H	α-helix	trans	-62.2	-43.4	174.7	171	0	0	0	0	111.2	V813 V860 A862 P891 I896 S897 F903 K904	V813-V900 HydrophobicContact CG1-CG2 3.84Å; V813-V900 HydrophobicContact CG2-CG2 3.93Å; V860-V900 HydrophobicContact CG1-CG1 4.09Å; A862-V900 HydrophobicContact CB-CG2 3.9Å; P891-V900 HydrophobicContact CG-CG2 4.07Å; I896-V900 WeakPolarHBondContact O-CG2 3.27Å; I896-V900 PolarHBondContact O-N 3.32Å; S897-V900 PolarHBondContact O-N 2.99Å; V900-F903 PolarHBondContact O-N 3.11Å; V900-K904 HydrophobicContact CG1-CD 4.09Å; V900-K904 HydrophobicContact CG1-CG 4.46Å; V900-K904 WeakPolarHBondContact O-CB 3.41Å; V900-K904 WeakPolarHBondContact O-CG 3.44Å; V900-K904 PolarHBondContact O-N 3.27Å
901	A	94.9	Very high	91.6	Very high	59 Å²	59	78.9 Å²	78.9	49%	0.488	42%	0.423	S	S	.	.	H	α-helix	trans	-64.8	-43.9	178.9	0	0	0	0	0	112.1	S897 S898 K904 K905	S897-A901 WeakPolarHBondContact O-CB 3.39Å; S897-A901 PolarHBondContact O-N 3.5Å; S898-A901 PolarHBondContact O-N 3.15Å; A901-K904 PolarHBondContact O-N 3.42Å; A901-K905 WeakPolarHBondContact O-CB 3.2Å; A901-K905 PolarHBondContact O-N 3.06Å
902	L	94.4	Very high	91.6	Very high	116 Å²	116	82.5 Å²	82.5	61%	0.607	44%	0.442	S	S	*	.	H	α-helix	trans	-60.6	-45.4	174.8	-74.1	171.3	0	0	0	111.4	S898 A899 K905 H906	S898-L902 WeakPolarHBondContact O-CB 3.45Å; S898-L902 WeakPolarHBondContact O-CG 3.14Å; S898-L902 PolarHBondContact O-N 2.92Å; A899-L902 PolarHBondContact O-N 3.48Å; L902-K905 WeakPolarHBondContact O-CB 3.33Å; L902-K905 PolarHBondContact O-N 3.3Å; L902-H906 PolarHBondContact O-N 2.9Å
903	F	94.8	Very high	91.6	Very high	12 Å²	12	74.5 Å²	74.5	5%	0.053	42%	0.419	C	S	.	.	H	α-helix	trans	-68.1	-40.2	-178.8	-171.1	-157.6	0	0	0	112.4	V813 F815 A831 E833 V860 A899 V900 K905 H906 I907	V813-F903 HydrophobicContact CG1-CD1 3.92Å; F815-F903 HydrophobicContact CB-CE1 3.79Å; F815-F903 HydrophobicContact CB-CZ 3.81Å; A831-F903 WeakPolarHBondContact O-CZ 3.36Å; E833-F903 HydrophobicContact CB-CE2 4.18Å; E833-F903 HydrophobicContact CG-CD2 3.22Å; E833-F903 HydrophobicContact CG-CE2 3.3Å; E833-F903 HydrophobicContact CG-CG 4.22Å; E833-F903 HydrophobicContact CG-CZ 4.31Å; V860-F903 HydrophobicContact CG1-CD1 3.73Å; V860-F903 HydrophobicContact CG1-CE1 4.45Å; V860-F903 HydrophobicContact CG1-CG 4.46Å; V860-F903 HydrophobicContact CG2-CD1 4.46Å; A899-F903 WeakPolarHBondContact O-CB 3.5Å; A899-F903 PolarHBondContact O-N 3.47Å; V900-F903 PolarHBondContact O-N 3.11Å; F903-K905 VanDerWaalsContact C-N 3.28Å; F903-K905 PolarHBondContact O-N 3.5Å; F903-H906 HydrophobicContact CD2-CB 4.43Å; F903-H906 WeakPolarHBondContact O-CB 3.33Å; F903-H906 PolarHBondContact O-N 3.29Å; F903-I907 HydrophobicContact CD1-CD1 4.48Å; F903-I907 HydrophobicContact CD2-CD1 4.02Å; F903-I907 HydrophobicContact CD2-CG1 4.1Å; F903-I907 HydrophobicContact CE1-CD1 4.4Å; F903-I907 HydrophobicContact CE2-CD1 3.9Å; F903-I907 HydrophobicContact CE2-CG1 3.93Å; F903-I907 HydrophobicContact CG-CD1 4.33Å; F903-I907 HydrophobicContact CZ-CD1 4.12Å; F903-I907 WeakPolarHBondContact O-CG1 3.41Å; F903-I907 PolarHBondContact O-N 3.11Å
904	K	94.5	Very high	91.8	Very high	69 Å²	69	75.1 Å²	75.1	30%	0.3	43%	0.426	S	S	.	.	H	α-helix	trans	-57.8	-42.3	171.9	-76.9	177.2	-179.6	175.2	0	111.4	V860 V900 A901 I907 Q908	V860-K904 HydrophobicContact CB-CG 3.94Å; V860-K904 HydrophobicContact CG1-CG 4.3Å; V860-K904 HydrophobicContact CG2-CG 3.8Å; V900-K904 HydrophobicContact CG1-CD 4.09Å; V900-K904 HydrophobicContact CG1-CG 4.46Å; V900-K904 WeakPolarHBondContact O-CB 3.41Å; V900-K904 WeakPolarHBondContact O-CG 3.44Å; V900-K904 PolarHBondContact O-N 3.27Å; A901-K904 PolarHBondContact O-N 3.42Å; K904-I907 PolarHBondContact O-N 3.09Å; K904-Q908 WeakPolarHBondContact O-CG 3.4Å; K904-Q908 PolarHBondContact O-N 2.99Å
905	K	93.2	Very high	91.9	Very high	135 Å²	135	70.5 Å²	70.5	59%	0.587	41%	0.409	S	S	*	.	H	α-helix	trans	-64.4	-41.8	175.7	-172.6	-179.5	179.5	-178.9	0	111.8	A901 L902 F903 I907 Q908 V909	A901-K905 WeakPolarHBondContact O-CB 3.2Å; A901-K905 PolarHBondContact O-N 3.06Å; L902-K905 WeakPolarHBondContact O-CB 3.33Å; L902-K905 PolarHBondContact O-N 3.3Å; F903-K905 VanDerWaalsContact C-N 3.28Å; F903-K905 PolarHBondContact O-N 3.5Å; K905-I907 VanDerWaalsContact C-N 3.35Å; K905-I907 PolarHBondContact O-N 2.77Å; K905-Q908 PolarHBondContact O-N 3.23Å; K905-V909 WeakPolarHBondContact O-CG2 3.43Å; K905-V909 PolarHBondContact O-N 3.37Å; K905-V909 VanDerWaalsContact O-N 3.08Å
906	H	92.9	Very high	92	Very high	74 Å²	74	69.8 Å²	69.8	34%	0.343	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-44.5	176.2	-178	84.4	0	0	0	111.9	E833 L902 F903 Q908 V909 C910	E833-H906 HydrophobicContact CG-CB 4.42Å; L902-H906 PolarHBondContact O-N 2.9Å; F903-H906 HydrophobicContact CD2-CB 4.43Å; F903-H906 WeakPolarHBondContact O-CB 3.33Å; F903-H906 PolarHBondContact O-N 3.29Å; H906-Q908 PolarHBondContact O-N 3.43Å; H906-V909 PolarHBondContact O-N 2.91Å; H906-C910 PolarHBondContact O-N 2.83Å; H906-C910 VanDerWaalsContact O-N 3.1Å; H906-C910 PolarHBondContact O-SG 3.38Å
907	I	91.3	Very high	92	Very high	46 Å²	46	74.3 Å²	74.3	24%	0.236	44%	0.438	C	S	.	.	H	α-helix	trans	-62.1	-43.3	176.7	-67	162.6	0	0	0	110.9	F815 V860 F903 K904 K905 V909 C910 A911	F815-I907 HydrophobicContact CB-CD1 4.13Å; F815-I907 HydrophobicContact CD2-CD1 3.6Å; F815-I907 HydrophobicContact CE2-CD1 4.28Å; F815-I907 HydrophobicContact CG-CD1 4.09Å; V860-I907 HydrophobicContact CG2-CD1 3.41Å; V860-I907 VanDerWaalsContact CG2-CD1 3.41Å; F903-I907 HydrophobicContact CD1-CD1 4.48Å; F903-I907 HydrophobicContact CD2-CD1 4.02Å; F903-I907 HydrophobicContact CD2-CG1 4.1Å; F903-I907 HydrophobicContact CE1-CD1 4.4Å; F903-I907 HydrophobicContact CE2-CD1 3.9Å; F903-I907 HydrophobicContact CE2-CG1 3.93Å; F903-I907 HydrophobicContact CG-CD1 4.33Å; F903-I907 HydrophobicContact CZ-CD1 4.12Å; F903-I907 WeakPolarHBondContact O-CG1 3.41Å; F903-I907 PolarHBondContact O-N 3.11Å; K904-I907 PolarHBondContact O-N 3.09Å; K905-I907 VanDerWaalsContact C-N 3.35Å; K905-I907 PolarHBondContact O-N 2.77Å; I907-V909 PolarHBondContact O-N 3.35Å; I907-C910 PolarHBondContact O-N 3.08Å; I907-C910 VanDerWaalsContact O-N 3.14Å; I907-A911 WeakPolarHBondContact O-CB 3.28Å; I907-A911 PolarHBondContact O-N 2.68Å
908	Q	90	Very high	91.7	Very high	146 Å²	146	76.1 Å²	76.1	68%	0.682	45%	0.445	S	S	*	.	H	α-helix	trans	-62.3	-28.7	176.5	-75.6	175.7	-12.9	0	0	113.6	K904 K905 H906	K904-Q908 WeakPolarHBondContact O-CG 3.4Å; K904-Q908 PolarHBondContact O-N 2.99Å; K905-Q908 PolarHBondContact O-N 3.23Å; H906-Q908 PolarHBondContact O-N 3.43Å
909	V	90.3	Very high	91.5	Very high	112 Å²	112	78.6 Å²	78.6	68%	0.679	46%	0.455	S	S	*	.	H	α-helix	trans	-79.5	-28.2	176.4	171.5	0	0	0	0	111.7	K905 H906 I907	K905-V909 WeakPolarHBondContact O-CG2 3.43Å; K905-V909 PolarHBondContact O-N 3.37Å; K905-V909 VanDerWaalsContact O-N 3.08Å; H906-V909 PolarHBondContact O-N 2.91Å; I907-V909 PolarHBondContact O-N 3.35Å
910	C	84.6	Confident	91.2	Very high	91 Å²	91	83.2 Å²	83.2	62%	0.615	48%	0.477	S	S	*	.	H	α-helix	trans	-87.3	-22	179.8	-63.8	0	0	0	0	113.9	H906 I907	H906-C910 PolarHBondContact O-N 2.83Å; H906-C910 VanDerWaalsContact O-N 3.1Å; H906-C910 PolarHBondContact O-SG 3.38Å; I907-C910 PolarHBondContact O-N 3.08Å; I907-C910 VanDerWaalsContact O-N 3.14Å
911	A	77.5	Confident	90.8	Very high	133 Å²	133	90.3 Å²	90.3	100%	1.099	52%	0.517	S	S	*	.			trans	-80.1	0	174	0	0	0	0	0	110.5	I907	I907-A911 WeakPolarHBondContact O-CB 3.28Å; I907-A911 PolarHBondContact O-N 2.68Å

Retrieved 911 of 911 residues in 272.7 ms (Link to these results)

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