A0A5K4F821_SCHMA Loading...

COesterase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F821, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 969 aa.

						>A0A5K4F821_SCHMA|A0A5K4F821
MITMVVYSGRFKVSELIICSLLIGIASTQNWWNFESQINPFKLPVFTPLPSQRFTHIPEVNKYVPMSNDVVVDIPRAGMGKFIGFSTTINYDHTWSRWPPTSGRLVNVFLGIPYAAPPINGRRFRFPVPAYLDTRFPWFAKRFRSACMQPHIWLSRFIPGFTDISEDCLYLNVYYPNNTLDASNTRYPVIVHIHGGSYVYGSSHMYPGLALASKGLVVVTFNYRLGPFGFLSTGDHASIGNYGLWDQLLAITWVKQNIEWFQGDPDKITLMGESAGAASVGLHLISPLTRERYLFNQAIMMSGADLSQWAFSDPVKVRTRYYAIELAQRLNCSSVQINAINESQQYIRNANLYRSYKNKALKLPFGESYVEQRLTVPYSVQVDAYALIYCLRYEKTAEQINDAVLELHSLPGAPSFVWTPVVDGISGFFPRTPAKERSLGNFAKVPLLAGVVQDEGSLALEHFLYKLDQYGYTIENFTDTVVRRFIGTLLNDLNVFRHNQTAEELYTRYTWWSNLENDTARWKRTVDLVSDMEIKSPLDSIVKYHSVYSPSVYFYEFSYSSPNDKQATPEIGIYHGIELPFLFGFPFMNKSTWLTLFGENNPLPRCVSNNYVYPYDTNISEYLLDLWANFVKYGNPTPQNVKNIKWPNFKQPEEAYLHIELNSSIKYHYRSSDMAFWQYRFEELAEPVPASPPIYYYPLINVRLTTLVLGCLLSVALIGLIILIVLLMKRPQPKQFKSSIRHSTPGSEFHTSLKDSFSNPNVYSTKMSTILCPQPSTTTSTLQPLTLGSTLQSPPNIPRISSFAYLKSGDQIRQEPLSLSNSTTSCISYHMSSYPEAKFLNRLSIKQNNTNKHPPPPPIPSNHGKSASGSSNGSLSLISSKSSSPTFGSSMNTSKSHNQRQVKHKHDKNRLIHEDNHHVALSTLNRNESKSSDRLLYTEHTMKNNSIALPITDIHNNNNYDYNPYITDV
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	43.1	Very low	195 Å²	195	134.1 Å²	134.1	96%	0.961	69%	0.692	S	S	*	*				0	-53.9	0	-95.9	-176.5	166.6	0	0	112.4	T3 M4 V5	M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.28Å; M1-M4 PolarHBondContact O-N 3.28Å; M1-V5 PolarHBondContact O-N 3.27Å
2	I	35.9	Very low	43.9	Very low	137 Å²	137	136 Å²	136	70%	0.703	69%	0.691	S	S	*	*	H	α-helix	trans	-53.7	-41.6	-179.4	-63.5	168.6	0	0	0	112.4	M4 V5 V6	I2-M4 PolarHBondContact O-N 3.06Å; I2-V5 PolarHBondContact O-N 3.13Å; I2-V6 PolarHBondContact O-N 2.84Å
3	T	40.4	Very low	45	Very low	115 Å²	115	133.9 Å²	133.9	71%	0.706	69%	0.689	S	S	*	*	H	α-helix	trans	-67.4	-29	176.7	-1.3	0	0	0	0	114.3	M1	M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.28Å
4	M	40.9	Very low	45.6	Very low	160 Å²	160	128.9 Å²	128.9	79%	0.788	67%	0.672	S	S	*	*	H	α-helix	trans	-78.2	-25.9	176.6	-81.4	-170.4	104.5	0	0	112.6	M1 I2	M1-M4 PolarHBondContact O-N 3.28Å; I2-M4 PolarHBondContact O-N 3.06Å
5	V	47.1	Very low	46	Very low	59 Å²	59	126.9 Å²	126.9	36%	0.358	66%	0.657	S	S	.	*	H	α-helix	trans	-80.8	-30.1	-179.3	178.9	0	0	0	0	111.6	M1 I2 Y7 S8 F11	M1-V5 PolarHBondContact O-N 3.27Å; I2-V5 PolarHBondContact O-N 3.13Å; V5-Y7 VanDerWaalsContact C-N 3.27Å; V5-Y7 PolarHBondContact O-N 3.29Å; V5-S8 PolarHBondContact O-N 3.15Å; V5-S8 PolarHBondContact O-OG 3.2Å; V5-S8 VanDerWaalsContact O-OG 3.09Å; V5-F11 HydrophobicContact CG1-CD2 4.31Å
6	V	44.1	Very low	46.4	Very low	106 Å²	106	123.3 Å²	123.3	64%	0.642	64%	0.639	S	S	*	*	H	α-helix	trans	-64	-34	174	177.2	0	0	0	0	111.5	I2 S8	I2-V6 PolarHBondContact O-N 2.84Å; V6-S8 VanDerWaalsContact C-N 3.32Å; V6-S8 PolarHBondContact O-N 2.92Å
7	Y	46.3	Very low	47.3	Very low	219 Å²	219	121.5 Å²	121.5	86%	0.859	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-15.2	178.4	-97.9	-79.9	0	0	0	114.8	V5	V5-Y7 VanDerWaalsContact C-N 3.27Å; V5-Y7 PolarHBondContact O-N 3.29Å
8	S	48.3	Very low	48	Very low	66 Å²	66	120.3 Å²	120.3	46%	0.462	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.9	0.9	-178	68.2	0	0	0	0	114.3	V5 V6 R10	V5-S8 PolarHBondContact O-N 3.15Å; V5-S8 PolarHBondContact O-OG 3.2Å; V5-S8 VanDerWaalsContact O-OG 3.09Å; V6-S8 VanDerWaalsContact C-N 3.32Å; V6-S8 PolarHBondContact O-N 2.92Å; S8-R10 WeakPolarHBondContact O-CG 3.43Å; S8-R10 PolarHBondContact O-N 3.15Å
9	G	44.3	Very low	48.3	Very low	73 Å²	73	117.7 Å²	117.7	75%	0.753	62%	0.616	S	S	*	*			trans	60.5	11.2	167.1	0	0	0	0	0	116.2
10	R	47.8	Very low	48.5	Very low	216 Å²	216	115.6 Å²	115.6	82%	0.815	61%	0.611	S	S	*	*			trans	-105.5	2.3	-169.4	-82.3	-170.3	-178.6	-165	0.9	116.2	S8	S8-R10 WeakPolarHBondContact O-CG 3.43Å; S8-R10 PolarHBondContact O-N 3.15Å
11	F	43.7	Very low	48.8	Very low	129 Å²	129	114.9 Å²	114.9	57%	0.566	61%	0.607	S	S	*	*	S	Bend	trans	-132.9	128.6	175.4	-70.6	-80.8	0	0	0	110.4	V5 E15 L16	V5-F11 HydrophobicContact CG1-CD2 4.31Å; F11-E15 WeakPolarHBondContact CD1-OE2 3.41Å; F11-L16 HydrophobicContact CB-CD1 4.42Å
12	K	52.1	Low	49.4	Very low	157 Å²	157	110.6 Å²	110.6	68%	0.683	59%	0.588	S	S	*	*			trans	-67.4	137.1	174	-73.3	179.2	177.9	176.3	0	107.9	S14 E15	K12-S14 PolarHBondContact O-N 2.86Å; K12-E15 PolarHBondContact O-N 2.82Å
13	V	59	Low	50	Low	109 Å²	109	109.9 Å²	109.9	66%	0.661	58%	0.584	S	S	*	*	H	α-helix	trans	-49.2	-31	179.3	176.5	0	0	0	0	112.2	E15 L16 I17	V13-E15 PolarHBondContact O-N 3.04Å; V13-L16 PolarHBondContact O-N 3.32Å; V13-I17 HydrophobicContact CG1-CD1 3.97Å; V13-I17 HydrophobicContact CG1-CG1 4.44Å; V13-I17 WeakPolarHBondContact O-CG1 3.47Å; V13-I17 PolarHBondContact O-N 3.07Å; V13-I17 VanDerWaalsContact O-N 3.12Å
14	S	53.4	Low	49.9	Very low	64 Å²	64	105.7 Å²	105.7	45%	0.448	56%	0.564	S	S	.	*	H	α-helix	trans	-58.4	-38.8	175.1	54.7	0	0	0	0	114.3	K12 I17 I18	K12-S14 PolarHBondContact O-N 2.86Å; S14-I17 PolarHBondContact O-N 3.41Å; S14-I18 WeakPolarHBondContact O-CG1 3.42Å; S14-I18 PolarHBondContact O-N 3.49Å
15	E	51.8	Low	50.1	Low	98 Å²	98	102 Å²	102	46%	0.458	55%	0.546	S	S	.	.	H	α-helix	trans	-74	-33.7	-178.1	-68	173.4	165.4	0	0	111.6	F11 K12 V13 I18 C19	F11-E15 WeakPolarHBondContact CD1-OE2 3.41Å; K12-E15 PolarHBondContact O-N 2.82Å; V13-E15 PolarHBondContact O-N 3.04Å; E15-I18 PolarHBondContact O-N 2.82Å; E15-C19 PolarHBondContact O-N 3.41Å
16	L	52.4	Low	49.8	Very low	69 Å²	69	101.6 Å²	101.6	36%	0.361	55%	0.549	S	S	.	.	H	α-helix	trans	-68.3	-38.2	173.7	-91.7	148.1	0	0	0	112.2	F11 V13 I18 C19 S20	F11-L16 HydrophobicContact CB-CD1 4.42Å; V13-L16 PolarHBondContact O-N 3.32Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-C19 PolarHBondContact O-N 2.79Å; L16-S20 WeakPolarHBondContact O-CB 3.5Å; L16-S20 PolarHBondContact O-N 3.25Å; L16-S20 PolarHBondContact O-OG 3.29Å
17	I	61.8	Low	49.5	Very low	94 Å²	94	100.8 Å²	100.8	48%	0.482	55%	0.548	S	S	.	.	H	α-helix	trans	-63.1	-42.3	174.5	-68.4	168.1	0	0	0	110.2	V13 S14 S20 L21	V13-I17 HydrophobicContact CG1-CD1 3.97Å; V13-I17 HydrophobicContact CG1-CG1 4.44Å; V13-I17 WeakPolarHBondContact O-CG1 3.47Å; V13-I17 PolarHBondContact O-N 3.07Å; V13-I17 VanDerWaalsContact O-N 3.12Å; S14-I17 PolarHBondContact O-N 3.41Å; I17-S20 PolarHBondContact O-N 2.75Å; I17-L21 HydrophobicContact CG2-CD1 3.73Å; I17-L21 HydrophobicContact CG2-CG 4.47Å; I17-L21 WeakPolarHBondContact O-CB 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.08Å; I17-L21 PolarHBondContact O-N 3.1Å
18	I	59.8	Low	49	Very low	99 Å²	99	95 Å²	95	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-45.9	177.5	-66.8	166	0	0	0	111.1	S14 E15 L16 S20 L21 L22	S14-I18 WeakPolarHBondContact O-CG1 3.42Å; S14-I18 PolarHBondContact O-N 3.49Å; E15-I18 PolarHBondContact O-N 2.82Å; L16-I18 VanDerWaalsContact C-N 3.33Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 2.87Å; I18-L21 PolarHBondContact O-N 3.47Å; I18-L22 HydrophobicContact CG2-CD1 3.8Å; I18-L22 HydrophobicContact CG2-CG 4.32Å; I18-L22 WeakPolarHBondContact O-CB 2.92Å; I18-L22 VanDerWaalsContact O-CG 3.29Å; I18-L22 WeakPolarHBondContact O-CG 3.39Å; I18-L22 PolarHBondContact O-N 3.12Å
19	C	52.9	Low	48.3	Very low	72 Å²	72	98.4 Å²	98.4	49%	0.486	54%	0.544	S	S	.	.	H	α-helix	trans	-61.5	-40.1	175	-84.2	0	0	0	0	112.4	E15 L16 L22 I23	E15-C19 PolarHBondContact O-N 3.41Å; L16-C19 PolarHBondContact O-N 2.79Å; C19-L22 PolarHBondContact O-N 3.27Å; C19-I23 WeakPolarHBondContact O-CB 3.47Å; C19-I23 VanDerWaalsContact O-CG1 3.24Å; C19-I23 WeakPolarHBondContact O-CG1 3.32Å; C19-I23 PolarHBondContact O-N 3.43Å
20	S	53.7	Low	47.6	Very low	74 Å²	74	100.9 Å²	100.9	52%	0.517	54%	0.54	S	S	.	.	H	α-helix	trans	-67.2	-39.8	178.2	-52.4	0	0	0	0	111.5	L16 I17 I18 G24	L16-S20 WeakPolarHBondContact O-CB 3.5Å; L16-S20 PolarHBondContact O-N 3.25Å; L16-S20 PolarHBondContact O-OG 3.29Å; I17-S20 PolarHBondContact O-N 2.75Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 2.87Å; S20-G24 PolarHBondContact O-N 3.3Å
21	L	53.3	Low	46.6	Very low	101 Å²	101	100.2 Å²	100.2	53%	0.529	54%	0.538	S	S	.	.	H	α-helix	trans	-65.9	-41.5	173.2	-81.9	162	0	0	0	111.5	I17 I18 G24 I25	I17-L21 HydrophobicContact CG2-CD1 3.73Å; I17-L21 HydrophobicContact CG2-CG 4.47Å; I17-L21 WeakPolarHBondContact O-CB 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.08Å; I17-L21 PolarHBondContact O-N 3.1Å; I18-L21 PolarHBondContact O-N 3.47Å; L21-G24 PolarHBondContact O-N 3.15Å; L21-I25 WeakPolarHBondContact O-CB 3.25Å; L21-I25 WeakPolarHBondContact O-CD1 3.37Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 2.74Å
22	L	48.8	Very low	46	Very low	106 Å²	106	103.9 Å²	103.9	56%	0.555	55%	0.548	S	S	*	.	H	α-helix	trans	-66.1	-40.3	177.7	-75.2	168.2	0	0	0	111.9	I18 C19 A26	I18-L22 HydrophobicContact CG2-CD1 3.8Å; I18-L22 HydrophobicContact CG2-CG 4.32Å; I18-L22 WeakPolarHBondContact O-CB 2.92Å; I18-L22 VanDerWaalsContact O-CG 3.29Å; I18-L22 WeakPolarHBondContact O-CG 3.39Å; I18-L22 PolarHBondContact O-N 3.12Å; C19-L22 PolarHBondContact O-N 3.27Å; L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.45Å; L22-A26 PolarHBondContact O-N 2.92Å
23	I	48	Very low	45	Very low	121 Å²	121	101.6 Å²	101.6	62%	0.621	54%	0.543	S	S	*	.	H	α-helix	trans	-67.8	-40.6	173.7	-65.6	165.6	0	0	0	110.3	C19 A26 S27	C19-I23 WeakPolarHBondContact O-CB 3.47Å; C19-I23 VanDerWaalsContact O-CG1 3.24Å; C19-I23 WeakPolarHBondContact O-CG1 3.32Å; C19-I23 PolarHBondContact O-N 3.43Å; I23-A26 PolarHBondContact O-N 3.11Å; I23-S27 WeakPolarHBondContact O-CB 3.35Å; I23-S27 PolarHBondContact O-N 3.34Å; I23-S27 PolarHBondContact O-OG 2.88Å
24	G	39	Very low	43.7	Very low	28 Å²	28	102.7 Å²	102.7	29%	0.289	54%	0.54	S	S	.	.	H	α-helix	trans	-58.4	-50.9	173.9	0	0	0	0	0	111.9	S20 L21 A26 S27 T28	S20-G24 PolarHBondContact O-N 3.3Å; L21-G24 PolarHBondContact O-N 3.15Å; G24-A26 VanDerWaalsContact C-N 3.34Å; G24-A26 PolarHBondContact O-N 3.21Å; G24-S27 PolarHBondContact O-N 2.85Å; G24-S27 VanDerWaalsContact O-N 3.1Å; G24-S27 PolarHBondContact O-OG 3.17Å; G24-T28 WeakPolarHBondContact O-CG2 3.2Å; G24-T28 PolarHBondContact O-N 3.29Å; G24-T28 PolarHBondContact O-OG1 3.44Å; G24-T28 VanDerWaalsContact O-OG1 3.12Å
25	I	43.8	Very low	42.6	Very low	83 Å²	83	107.7 Å²	107.7	43%	0.426	56%	0.556	S	S	.	*	H	α-helix	trans	-62.1	-41.7	177.6	-66.8	161.6	0	0	0	110.6	L21 S27 T28 Q29	L21-I25 WeakPolarHBondContact O-CB 3.25Å; L21-I25 WeakPolarHBondContact O-CD1 3.37Å; L21-I25 WeakPolarHBondContact O-CG1 3.33Å; L21-I25 PolarHBondContact O-N 2.74Å; I25-S27 VanDerWaalsContact C-N 3.28Å; I25-S27 PolarHBondContact O-N 3.4Å; I25-T28 PolarHBondContact O-N 2.75Å; I25-T28 PolarHBondContact O-OG1 2.7Å; I25-Q29 HydrophobicContact CG2-CG 4.49Å; I25-Q29 PolarHBondContact O-N 3.36Å
26	A	41.8	Very low	42	Very low	50 Å²	50	105.9 Å²	105.9	41%	0.413	55%	0.554	S	S	.	*	H	α-helix	trans	-65	-31.7	175.8	0	0	0	0	0	112.6	L22 I23 G24 W31	L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.45Å; L22-A26 PolarHBondContact O-N 2.92Å; I23-A26 PolarHBondContact O-N 3.11Å; G24-A26 VanDerWaalsContact C-N 3.34Å; G24-A26 PolarHBondContact O-N 3.21Å; A26-W31 PolarHBondContact O-NE1 2.88Å
27	S	37.2	Very low	41.3	Very low	89 Å²	89	108.9 Å²	108.9	62%	0.622	57%	0.566	S	S	*	*	H	α-helix	trans	-80.2	-28.9	176.3	71.8	0	0	0	0	113.7	I23 G24 I25	I23-S27 WeakPolarHBondContact O-CB 3.35Å; I23-S27 PolarHBondContact O-N 3.34Å; I23-S27 PolarHBondContact O-OG 2.88Å; G24-S27 PolarHBondContact O-N 2.85Å; G24-S27 VanDerWaalsContact O-N 3.1Å; G24-S27 PolarHBondContact O-OG 3.17Å; I25-S27 VanDerWaalsContact C-N 3.28Å; I25-S27 PolarHBondContact O-N 3.4Å
28	T	36.4	Very low	40.2	Very low	97 Å²	97	110.3 Å²	110.3	60%	0.595	57%	0.573	S	S	*	*	H	α-helix	trans	-92.1	-17.3	-179.2	56.8	0	0	0	0	114.2	G24 I25 N30	G24-T28 WeakPolarHBondContact O-CG2 3.2Å; G24-T28 PolarHBondContact O-N 3.29Å; G24-T28 PolarHBondContact O-OG1 3.44Å; G24-T28 VanDerWaalsContact O-OG1 3.12Å; I25-T28 PolarHBondContact O-N 2.75Å; I25-T28 PolarHBondContact O-OG1 2.7Å; T28-N30 PolarHBondContact O-N 3.38Å
29	Q	33.1	Very low	39	Very low	137 Å²	137	109 Å²	109	64%	0.64	57%	0.568	S	S	*	*	S	Bend	trans	-73.8	73.7	168.5	-81.1	-169.4	-9.2	0	0	109.2	I25 W31	I25-Q29 HydrophobicContact CG2-CG 4.49Å; I25-Q29 PolarHBondContact O-N 3.36Å; Q29-W31 VanDerWaalsContact O-CD1 3.22Å; Q29-W31 PolarHBondContact O-N 2.92Å
30	N	30.8	Very low	38.3	Very low	126 Å²	126	107.5 Å²	107.5	67%	0.674	56%	0.557	S	S	*	*			trans	5.2	81.4	160.2	-68.3	-44.6	0	0	0	113	T28 W32	T28-N30 PolarHBondContact O-N 3.38Å; N30-W32 PolarHBondContact O-N 3.46Å
31	W	26.6	Very low	37.4	Very low	201 Å²	201	109.9 Å²	109.9	76%	0.761	56%	0.558	S	S	*	*			trans	-68	81.7	166	-81.8	53.1	0	0	0	105.5	A26 Q29 N33	A26-W31 PolarHBondContact O-NE1 2.88Å; Q29-W31 VanDerWaalsContact O-CD1 3.22Å; Q29-W31 PolarHBondContact O-N 2.92Å; W31-N33 VanDerWaalsContact C-N 3.26Å; W31-N33 PolarHBondContact O-N 3.11Å
32	W	30	Very low	36.5	Very low	207 Å²	207	112.7 Å²	112.7	78%	0.784	57%	0.566	S	S	*	*			trans	-58.8	96	170.9	-77.3	84.1	0	0	0	107.6	N30 F34	N30-W32 PolarHBondContact O-N 3.46Å; W32-F34 PolarHBondContact O-N 2.74Å
33	N	32.2	Very low	35.9	Very low	109 Å²	109	111 Å²	111	58%	0.583	56%	0.557	S	S	*	*			trans	38.3	63.4	156.6	-79.8	-18.4	0	0	0	116.2	W31 E35 S36	W31-N33 VanDerWaalsContact C-N 3.26Å; W31-N33 PolarHBondContact O-N 3.11Å; N33-E35 PolarHBondContact O-N 2.78Å; N33-S36 WeakPolarHBondContact O-CB 3.4Å; N33-S36 PolarHBondContact O-N 2.87Å; N33-S36 PolarHBondContact O-OG 3.02Å
34	F	31.7	Very low	35.3	Very low	132 Å²	132	108 Å²	108	58%	0.579	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.3	162.4	-128.4	-82.3	0	0	0	111.5	W32 S36 Q37 I38	W32-F34 PolarHBondContact O-N 2.74Å; F34-S36 PolarHBondContact O-N 2.81Å; F34-Q37 PolarHBondContact O-N 2.93Å; F34-Q37 VanDerWaalsContact O-N 3.11Å; F34-I38 HydrophobicContact CD1-CD1 3.97Å; F34-I38 HydrophobicContact CD1-CG1 4.45Å
35	E	30.1	Very low	35.2	Very low	168 Å²	168	113.5 Å²	113.5	79%	0.785	57%	0.573	S	S	*	*	H	α-helix	trans	-60.2	-27.2	172.7	-74.9	-160.8	157.9	0	0	113.5	N33 Q37 I38	N33-E35 PolarHBondContact O-N 2.78Å; E35-Q37 PolarHBondContact O-N 3.3Å; E35-I38 PolarHBondContact O-N 3.07Å
36	S	38	Very low	35.1	Very low	60 Å²	60	113.3 Å²	113.3	42%	0.42	57%	0.569	S	S	.	*	H	α-helix	trans	-70.9	-12.3	178.2	69.1	0	0	0	0	113.7	N33 F34	N33-S36 WeakPolarHBondContact O-CB 3.4Å; N33-S36 PolarHBondContact O-N 2.87Å; N33-S36 PolarHBondContact O-OG 3.02Å; F34-S36 PolarHBondContact O-N 2.81Å
37	Q	38.6	Very low	35.2	Very low	132 Å²	132	116.9 Å²	116.9	62%	0.617	59%	0.586	S	S	*	*	H	α-helix	trans	-104.5	-17.4	177.3	-66.9	-166.8	-4.1	0	0	114.2	F34 E35	F34-Q37 PolarHBondContact O-N 2.93Å; F34-Q37 VanDerWaalsContact O-N 3.11Å; E35-Q37 PolarHBondContact O-N 3.3Å
38	I	37.8	Very low	35.6	Very low	124 Å²	124	113.3 Å²	113.3	64%	0.636	56%	0.561	S	S	*	*	H	α-helix	trans	-92.9	-19.1	-171.3	-62.5	177.4	0	0	0	113.2	F34 E35 P40	F34-I38 HydrophobicContact CD1-CD1 3.97Å; F34-I38 HydrophobicContact CD1-CG1 4.45Å; E35-I38 PolarHBondContact O-N 3.07Å; I38-P40 VanDerWaalsContact C-CD 3.47Å; I38-P40 WeakPolarHBondContact O-CD 3.46Å
39	N	34.4	Very low	36.1	Very low	73 Å²	73	113 Å²	113	39%	0.39	56%	0.555	S	S	.	*			trans	-109.1	82.7	173.9	-160.7	-20.2	0	0	0	111.7	F41 K42	N39-F41 PolarHBondContact O-N 3.11Å; N39-F41 WeakPolarHBondContact OD1-CB 3.19Å; N39-F41 PolarHBondContact OD1-N 3.38Å; N39-F41 VanDerWaalsContact OD1-N 3.16Å; N39-K42 HydrophobicContact CB-CB 4.46Å; N39-K42 PolarHBondContact O-N 3.22Å
40	P	38.7	Very low	36.7	Very low	39 Å²	39	111.3 Å²	111.3	25%	0.253	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.1	-14.7	177	24.2	-33.5	0	0	0	112.9	I38	I38-P40 VanDerWaalsContact C-CD 3.47Å; I38-P40 WeakPolarHBondContact O-CD 3.46Å
41	F	35.1	Very low	37.3	Very low	125 Å²	125	110.5 Å²	110.5	55%	0.548	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	-23	176.7	-55	-76.7	0	0	0	113.7	N39 L288 R292	N39-F41 PolarHBondContact O-N 3.11Å; N39-F41 WeakPolarHBondContact OD1-CB 3.19Å; N39-F41 PolarHBondContact OD1-N 3.38Å; N39-F41 VanDerWaalsContact OD1-N 3.16Å; F41-L288 HydrophobicContact CD1-CD2 4.04Å; F41-L288 HydrophobicContact CE1-CD2 4.03Å; F41-R292 PolarHBondContact O-NH2 3Å
42	K	33.9	Very low	38.4	Very low	160 Å²	160	104.3 Å²	104.3	70%	0.696	54%	0.54	S	S	*	.	S	Bend	trans	-100.8	109.6	175.2	-91.5	-175.2	174.9	179.5	0	110.2	N39	N39-K42 HydrophobicContact CB-CB 4.46Å; N39-K42 PolarHBondContact O-N 3.22Å
43	L	37.3	Very low	39.5	Very low	70 Å²	70	98.9 Å²	98.9	37%	0.366	52%	0.519	S	S	.	.			trans	-52.2	123.4	161.2	-77.4	161.3	0	0	0	107.4	V45 L249 T252	L43-V45 PolarHBondContact O-N 2.91Å; L43-L249 HydrophobicContact CD2-CD1 4.5Å; L43-T252 HydrophobicContact CD1-CG2 4.34Å
44	P	35.8	Very low	40.6	Very low	57 Å²	57	95.1 Å²	95.1	37%	0.37	50%	0.497	S	S	.	.			trans	-59.4	128.2	-176.9	19.9	-29.5	0	0	0	109.4	F46	P44-F46 PolarHBondContact O-N 3.31Å
45	V	36.4	Very low	41.6	Very low	144 Å²	144	92.1 Å²	92.1	87%	0.873	49%	0.49	S	S	*	.			trans	-70.5	90.3	170.8	-178.2	0	0	0	0	106.6	L43	L43-V45 PolarHBondContact O-N 2.91Å
46	F	42	Very low	42.9	Very low	80 Å²	80	86 Å²	86	35%	0.351	46%	0.462	S	S	.	.			trans	-84.5	121.7	-178.8	-172.6	-111.6	0	0	0	109.7	P44 P48 V128	P44-F46 PolarHBondContact O-N 3.31Å; F46-P48 HydrophobicContact CD1-CB 4.03Å; F46-P48 VanDerWaalsContact CE1-CA 3.46Å; F46-P48 HydrophobicContact CE1-CB 3.68Å; F46-P48 WeakPolarHBondContact O-CD 3.47Å; F46-V128 HydrophobicContact CB-CG1 3.91Å; F46-V128 HydrophobicContact CD1-CG1 3.83Å; F46-V128 HydrophobicContact CD2-CG1 4.49Å; F46-V128 HydrophobicContact CE1-CG1 4.44Å; F46-V128 HydrophobicContact CG-CG1 3.84Å
47	T	43.3	Very low	43.6	Very low	124 Å²	124	87.3 Å²	87.3	76%	0.761	46%	0.463	S	S	*	.			trans	-95.5	105.6	165.4	-35.4	0	0	0	0	107.5
48	P	45.3	Very low	44.4	Very low	14 Å²	14	85.4 Å²	85.4	9%	0.091	46%	0.462	C	S	.	.			trans	-67.7	139.6	-174.6	20.9	-25.8	0	0	0	111.3	F46 Q52 Y131	F46-P48 HydrophobicContact CD1-CB 4.03Å; F46-P48 VanDerWaalsContact CE1-CA 3.46Å; F46-P48 HydrophobicContact CE1-CB 3.68Å; F46-P48 WeakPolarHBondContact O-CD 3.47Å; P48-Q52 HydrophobicContact CB-CB 4.16Å; P48-Y131 HydrophobicContact CB-CG 4.43Å; P48-Y131 HydrophobicContact CG-CD1 3.58Å; P48-Y131 HydrophobicContact CG-CD2 3.62Å; P48-Y131 HydrophobicContact CG-CE1 4.05Å; P48-Y131 HydrophobicContact CG-CE2 4.08Å; P48-Y131 HydrophobicContact CG-CG 3.34Å
49	L	47	Very low	45.4	Very low	92 Å²	92	81.5 Å²	81.5	48%	0.482	44%	0.441	S	S	.	.			trans	-63.8	150.7	165.7	-67.2	169.3	0	0	0	109.1	S51 Q52	L49-S51 PolarHBondContact O-N 3.23Å; L49-S51 VanDerWaalsContact O-N 3.07Å; L49-Q52 HydrophobicContact CB-CG 4.36Å; L49-Q52 WeakPolarHBondContact O-CB 3.43Å; L49-Q52 PolarHBondContact O-N 3.39Å
50	P	46.7	Very low	46.8	Very low	101 Å²	101	79.8 Å²	79.8	66%	0.656	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-52.1	-33.5	178.6	-27.9	34.8	0	0	0	114	Q52 R53	P50-Q52 PolarHBondContact O-N 3.41Å; P50-R53 PolarHBondContact O-N 2.91Å
51	S	42.4	Very low	48.1	Very low	109 Å²	109	84.7 Å²	84.7	76%	0.762	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-69.9	-9.4	176.2	54.8	0	0	0	0	114.9	L49	L49-S51 PolarHBondContact O-N 3.23Å; L49-S51 VanDerWaalsContact O-N 3.07Å
52	Q	48.8	Very low	49.4	Very low	70 Å²	70	87 Å²	87	33%	0.327	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-106.7	0.5	179.7	-64	172	-35.8	0	0	112.6	P48 L49 P50	P48-Q52 HydrophobicContact CB-CB 4.16Å; L49-Q52 HydrophobicContact CB-CG 4.36Å; L49-Q52 WeakPolarHBondContact O-CB 3.43Å; L49-Q52 PolarHBondContact O-N 3.39Å; P50-Q52 PolarHBondContact O-N 3.41Å
53	R	53.1	Low	51	Low	93 Å²	93	82.5 Å²	82.5	35%	0.351	45%	0.446	S	S	.	.	S	Bend	trans	-76.1	127.1	172.4	-61.2	-172.4	-180	179.2	-0.4	108	P50 T55 Y131 D133	P50-R53 PolarHBondContact O-N 2.91Å; R53-T55 PolarHBondContact O-N 3.28Å; R53-T55 VanDerWaalsContact O-N 3.1Å; R53-Y131 WeakPolarHBondContact CA-O 3.39Å; R53-Y131 HydrophobicContact CG-CD1 4.02Å; R53-Y131 HydrophobicContact CG-CE1 4.41Å; R53-D133 HydrophobicContact CB-CB 4.23Å
54	F	55.5	Low	52.6	Low	30 Å²	30	84.5 Å²	84.5	13%	0.132	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-63	114.9	170.2	-78	-89	0	0	0	108.6	P113 P117 A130 Y131 L132 D133 W138	F54-P113 HydrophobicContact CE2-CB 4.26Å; F54-P113 HydrophobicContact CZ-CB 4.11Å; F54-P117 HydrophobicContact CE1-CG 3.81Å; F54-P117 HydrophobicContact CZ-CG 3.62Å; F54-A130 HydrophobicContact CD2-CB 4.32Å; F54-A130 HydrophobicContact CE2-CB 3.81Å; F54-Y131 PolarHBondContact N-O 3.3Å; F54-L132 HydrophobicContact CB-CD2 3.49Å; F54-L132 VanDerWaalsContact CB-CD2 3.49Å; F54-L132 HydrophobicContact CD2-CD2 4.18Å; F54-L132 HydrophobicContact CG-CD2 4.02Å; F54-D133 WeakPolarHBondContact O-CB 3.22Å; F54-D133 PolarHBondContact O-N 3.44Å; F54-W138 HydrophobicContact CB-CZ3 3.97Å; F54-W138 HydrophobicContact CD1-CH2 4.14Å; F54-W138 HydrophobicContact CD1-CZ3 4.16Å; F54-W138 HydrophobicContact CG-CZ3 4.35Å
55	T	53.7	Low	54.6	Low	69 Å²	69	86.4 Å²	86.4	42%	0.423	47%	0.473	S	S	.	.			trans	-117.1	117.8	174.7	56.2	0	0	0	0	108.9	R53 D133	R53-T55 PolarHBondContact O-N 3.28Å; R53-T55 VanDerWaalsContact O-N 3.1Å; T55-D133 HydrophobicContact CG2-CB 3.71Å; T55-D133 WeakPolarHBondContact CG2-OD2 3.48Å
56	H	56.1	Low	56.8	Low	41 Å²	41	85 Å²	85	19%	0.19	46%	0.458	C	S	.	.			trans	-100.1	36.8	178.9	-128.2	-68.3	0	0	0	112.6	P58 E59 V60 W138 R144	H56-P58 WeakPolarHBondContact O-CD 3.46Å; H56-E59 IonicContact CE1-OE1 3.94Å; H56-E59 PolarHBondContact CE1-OE1 3.1Å; H56-E59 IonicContact CE1-OE2 2.73Å; H56-E59 PolarHBondContact CE1-OE2 2.78Å; H56-E59 VanDerWaalsContact CE1-OE2 3.25Å; H56-E59 IonicContact CG-OE2 3.75Å; H56-E59 VanDerWaalsContact ND1-CG 3.32Å; H56-E59 WeakPolarHBondContact ND1-CG 3.5Å; H56-E59 IonicContact ND1-OE1 3.13Å; H56-E59 IonicContact ND1-OE2 2.83Å; H56-E59 PolarHBondContact ND1-OE2 3.28Å; H56-E59 IonicContact NE2-OE2 3.06Å; H56-E59 PolarHBondContact O-N 3.4Å; H56-V60 PolarHBondContact O-N 3.05Å; H56-W138 AromaticContact CD2-CH2 3.63Å; H56-W138 AromaticContact CD2-CZ3 3.49Å; H56-W138 VanDerWaalsContact CD2-CZ3 3.49Å; H56-W138 WeakPolarHBondContact CD2-CZ3 3.49Å; H56-R144 PolarHBondContact NE2-NH2 2.75Å
57	I	52.9	Low	58.8	Low	86 Å²	86	87.6 Å²	87.6	44%	0.441	49%	0.487	S	S	.	.	H	α-helix	trans	-45.8	-40.7	-177.8	-58.2	172	0	0	0	113.1	E59 V60 F136	I57-E59 VanDerWaalsContact C-N 3.25Å; I57-E59 PolarHBondContact O-N 2.97Å; I57-V60 PolarHBondContact O-N 3.39Å; I57-F136 HydrophobicContact CG1-CE2 4.38Å
58	P	55.3	Low	61	Low	93 Å²	93	84.3 Å²	84.3	60%	0.604	46%	0.464	S	S	*	.	H	α-helix	trans	-63.6	-25.1	-179.4	-22	33.4	0	0	0	115.1	H56	H56-P58 WeakPolarHBondContact O-CD 3.46Å
59	E	60.7	Low	63.3	Low	42 Å²	42	85.1 Å²	85.1	20%	0.196	47%	0.468	C	S	.	.	H	α-helix	trans	-91.3	-30.3	-179.6	-75.1	-174.4	-179	0	0	112.4	H56 I57 N61 K62 Y63 F139 R142	H56-E59 IonicContact CE1-OE1 3.94Å; H56-E59 PolarHBondContact CE1-OE1 3.1Å; H56-E59 IonicContact CE1-OE2 2.73Å; H56-E59 PolarHBondContact CE1-OE2 2.78Å; H56-E59 VanDerWaalsContact CE1-OE2 3.25Å; H56-E59 IonicContact CG-OE2 3.75Å; H56-E59 VanDerWaalsContact ND1-CG 3.32Å; H56-E59 WeakPolarHBondContact ND1-CG 3.5Å; H56-E59 IonicContact ND1-OE1 3.13Å; H56-E59 IonicContact ND1-OE2 2.83Å; H56-E59 PolarHBondContact ND1-OE2 3.28Å; H56-E59 IonicContact NE2-OE2 3.06Å; H56-E59 PolarHBondContact O-N 3.4Å; I57-E59 VanDerWaalsContact C-N 3.25Å; I57-E59 PolarHBondContact O-N 2.97Å; E59-N61 VanDerWaalsContact C-N 3.25Å; E59-N61 PolarHBondContact O-N 2.76Å; E59-K62 PolarHBondContact O-N 3.37Å; E59-Y63 PolarHBondContact O-N 2.76Å; E59-F139 HydrophobicContact CB-CD2 3.84Å; E59-F139 HydrophobicContact CB-CE2 4.12Å; E59-R142 IonicContact OE1-CZ 2.63Å; E59-R142 IonicContact OE1-NE 3.52Å; E59-R142 IonicContact OE1-NH2 3.11Å; E59-R142 PolarHBondContact OE1-NH2 3.49Å
60	V	61.9	Low	65.6	Low	37 Å²	37	81.8 Å²	81.8	22%	0.224	45%	0.452	C	S	.	.	H	α-helix	trans	-56	-42.3	-179.5	179.4	0	0	0	0	111.3	H56 I57 K62 Y63 F136 F139	H56-V60 PolarHBondContact O-N 3.05Å; I57-V60 PolarHBondContact O-N 3.39Å; V60-K62 VanDerWaalsContact C-N 3.25Å; V60-K62 PolarHBondContact O-N 3.13Å; V60-Y63 PolarHBondContact O-N 3.03Å; V60-F136 HydrophobicContact CG1-CD1 4.14Å; V60-F136 HydrophobicContact CG2-CB 3.92Å; V60-F136 HydrophobicContact CG2-CD1 3.97Å; V60-F136 HydrophobicContact CG2-CG 4.14Å; V60-F139 HydrophobicContact CG2-CE2 4.07Å
61	N	66	Low	67.8	Low	142 Å²	142	81.2 Å²	81.2	76%	0.759	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.1	180	-67.7	-15.8	0	0	0	114	E59	E59-N61 VanDerWaalsContact C-N 3.25Å; E59-N61 PolarHBondContact O-N 2.76Å
62	K	63.5	Low	70.3	Confident	172 Å²	172	76.6 Å²	76.6	75%	0.748	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-9.2	-179.4	-64.7	-177.4	-178.6	-178.1	0	112.9	E59 V60	E59-K62 PolarHBondContact O-N 3.37Å; V60-K62 VanDerWaalsContact C-N 3.25Å; V60-K62 PolarHBondContact O-N 3.13Å
63	Y	67.8	Low	72.5	Confident	67 Å²	67	76.8 Å²	76.8	26%	0.263	42%	0.416	S	S	.	.			trans	-79.1	129.1	-173.3	174.5	-104.1	0	0	0	112	E59 V60 P65 D69 I83 F139	E59-Y63 PolarHBondContact O-N 2.76Å; V60-Y63 PolarHBondContact O-N 3.03Å; Y63-P65 HydrophobicContact CD1-CG 4.46Å; Y63-P65 HydrophobicContact CE1-CB 4.23Å; Y63-P65 HydrophobicContact CE1-CG 3.77Å; Y63-D69 PolarHBondContact OH-OD2 3.29Å; Y63-I83 HydrophobicContact CE1-CD1 4.21Å; Y63-I83 HydrophobicContact CE2-CD1 4.49Å; Y63-I83 HydrophobicContact CE2-CG2 4.18Å; Y63-F139 VanDerWaalsContact CB-CZ 3.48Å; Y63-F139 AromaticContact CD1-CE1 3.75Å; Y63-F139 HydrophobicContact CD1-CE1 3.75Å; Y63-F139 HydrophobicContact CD1-CZ 4.09Å; Y63-F139 AromaticContact CD2-CD1 3.65Å; Y63-F139 HydrophobicContact CD2-CD1 3.65Å; Y63-F139 AromaticContact CD2-CE1 3.16Å; Y63-F139 HydrophobicContact CD2-CE1 3.16Å; Y63-F139 AromaticContact CD2-CZ 4Å; Y63-F139 HydrophobicContact CD2-CZ 4Å; Y63-F139 HydrophobicContact CE1-CE1 4.15Å; Y63-F139 AromaticContact CE2-CD1 3.96Å; Y63-F139 HydrophobicContact CE2-CD1 3.96Å; Y63-F139 AromaticContact CE2-CE1 3.6Å; Y63-F139 HydrophobicContact CE2-CE1 3.6Å; Y63-F139 HydrophobicContact CG-CD1 4.14Å; Y63-F139 AromaticContact CG-CE1 3.2Å; Y63-F139 HydrophobicContact CG-CE1 3.2Å; Y63-F139 AromaticContact CG-CZ 3.6Å; Y63-F139 HydrophobicContact CG-CZ 3.6Å
64	V	71.1	Confident	74.4	Confident	111 Å²	111	72.3 Å²	72.3	67%	0.673	40%	0.4	S	S	*	.			trans	-117.7	123.6	167.7	-177.8	0	0	0	0	106.9	M66	V64-M66 PolarHBondContact O-N 3Å
65	P	77.2	Confident	76.1	Confident	98 Å²	98	75.4 Å²	75.4	64%	0.636	42%	0.422	S	S	*	.			trans	-54.5	128.8	175.5	-22.5	30.5	0	0	0	111.3	Y63	Y63-P65 HydrophobicContact CD1-CG 4.46Å; Y63-P65 HydrophobicContact CE1-CB 4.23Å; Y63-P65 HydrophobicContact CE1-CG 3.77Å
66	M	82.2	Confident	77.6	Confident	113 Å²	113	76.6 Å²	76.6	56%	0.557	42%	0.419	S	S	*	.			trans	-103.4	154.4	175.1	-57.5	178.9	64.5	0	0	110.5	V64 N68 D69	V64-M66 PolarHBondContact O-N 3Å; M66-N68 WeakPolarHBondContact CB-OD1 3.5Å; M66-N68 PolarHBondContact O-N 2.91Å; M66-D69 PolarHBondContact N-OD2 3.44Å; M66-D69 WeakPolarHBondContact O-CB 3.41Å; M66-D69 PolarHBondContact O-N 3.06Å; M66-D69 VanDerWaalsContact O-N 3.11Å
67	S	83.8	Confident	78.6	Confident	135 Å²	135	78.6 Å²	78.6	94%	0.944	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.4	-177.7	57.7	0	0	0	0	113.9
68	N	90.6	Very high	79.9	Confident	55 Å²	55	74.6 Å²	74.6	29%	0.294	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	10.8	177.9	68.2	-36.4	0	0	0	113.1	M66 F85 S86	M66-N68 WeakPolarHBondContact CB-OD1 3.5Å; M66-N68 PolarHBondContact O-N 2.91Å; N68-F85 CarbonylContact O-C 3.53Å; N68-F85 VanDerWaalsContact O-CA 3.26Å; N68-F85 WeakPolarHBondContact O-CA 3.02Å; N68-S86 PolarHBondContact ND2-O 3.49Å; N68-S86 PolarHBondContact O-N 3.23Å
69	D	93.4	Very high	81.4	Confident	31 Å²	31	71.1 Å²	71.1	17%	0.166	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	140.8	-179.3	-71.9	-10.1	0	0	0	112.2	Y63 M66 I83 K141	Y63-D69 PolarHBondContact OH-OD2 3.29Å; M66-D69 PolarHBondContact N-OD2 3.44Å; M66-D69 WeakPolarHBondContact O-CB 3.41Å; M66-D69 PolarHBondContact O-N 3.06Å; M66-D69 VanDerWaalsContact O-N 3.11Å; D69-I83 HydrophobicContact CB-CG2 4.34Å; D69-K141 VanDerWaalsContact OD1-CE 3.26Å; D69-K141 WeakPolarHBondContact OD1-CE 3.46Å; D69-K141 IonicContact OD1-NZ 3.67Å; D69-K141 PolarHBondContact OD1-NZ 2.83Å; D69-K141 IonicContact OD2-NZ 3.8Å; D69-K141 PolarHBondContact OD2-NZ 2.79Å
70	V	94.7	Very high	82.8	Confident	23 Å²	23	69.5 Å²	69.5	14%	0.139	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.2	179.4	-175	0	0	0	0	107.7	I83 G84 N107 F109 Y175	V70-I83 WeakPolarHBondContact O-CA 3.35Å; V70-G84 PolarHBondContact N-O 2.83Å; V70-G84 VanDerWaalsContact N-O 3.13Å; V70-G84 PolarHBondContact O-N 3.08Å; V70-N107 HydrophobicContact CG1-CB 4.43Å; V70-N107 HydrophobicContact CG2-CB 4.47Å; V70-N107 WeakPolarHBondContact CG2-OD1 3.49Å; V70-F109 HydrophobicContact CB-CE2 4.2Å; V70-F109 HydrophobicContact CB-CZ 4.11Å; V70-F109 HydrophobicContact CG1-CE2 3.94Å; V70-F109 HydrophobicContact CG1-CZ 3.91Å; V70-F109 WeakPolarHBondContact O-CZ 3.31Å; V70-Y175 WeakPolarHBondContact CG1-OH 3.33Å
71	V	93.9	Very high	84.2	Confident	89 Å²	89	72.9 Å²	72.9	54%	0.539	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.9	-177.6	-174.7	0	0	0	0	109.4	F82 I83	V71-F82 WeakPolarHBondContact CA-O 3.43Å; V71-I83 HydrophobicContact CG2-CG1 4.34Å
72	V	94.8	Very high	85.6	Confident	11 Å²	11	66.1 Å²	66.1	7%	0.067	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.1	172.2	171.1	0	0	0	0	107.8	I74 F82 F109 W260 F261	V72-I74 HydrophobicContact CG1-CG1 4.1Å; V72-F82 PolarHBondContact N-O 2.98Å; V72-F82 PolarHBondContact O-N 3.18Å; V72-F109 HydrophobicContact CB-CE1 4.12Å; V72-F109 HydrophobicContact CB-CZ 3.99Å; V72-F109 HydrophobicContact CG2-CE1 4.14Å; V72-F109 HydrophobicContact CG2-CE2 4.07Å; V72-F109 HydrophobicContact CG2-CZ 3.5Å; V72-F109 VanDerWaalsContact CG2-CZ 3.5Å; V72-W260 HydrophobicContact CG1-CB 3.83Å; V72-W260 WeakPolarHBondContact CG1-O 3.35Å; V72-F261 HydrophobicContact CB-CE1 4.06Å; V72-F261 HydrophobicContact CB-CZ 4.45Å; V72-F261 HydrophobicContact CG1-CD1 4.31Å; V72-F261 HydrophobicContact CG1-CE1 3.96Å; V72-F261 HydrophobicContact CG1-CE2 4.33Å; V72-F261 HydrophobicContact CG1-CZ 3.97Å; V72-F261 HydrophobicContact CG2-CD1 4.11Å; V72-F261 HydrophobicContact CG2-CE1 4.11Å
73	D	93.9	Very high	87	Confident	74 Å²	74	58.5 Å²	58.5	40%	0.396	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.1	176.3	-163.9	-5.2	0	0	0	109.2	P75 K81 W260	D73-P75 WeakPolarHBondContact O-CD 3.42Å; D73-K81 HydrophobicContact CB-CG 3.97Å; D73-K81 VanDerWaalsContact CG-CG 3.43Å; D73-K81 WeakPolarHBondContact OD2-CE 3.43Å; D73-K81 WeakPolarHBondContact OD2-CG 3.17Å; D73-W260 VanDerWaalsContact O-CE3 3.24Å
74	I	94	Very high	88.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	104.8	178.3	-53.2	-177.5	0	0	0	107.3	V72 R76 M79 G80 F82 N257 W260 F261	V72-I74 HydrophobicContact CG1-CG1 4.1Å; I74-R76 HydrophobicContact CG2-CB 4.22Å; I74-R76 HydrophobicContact CG2-CG 4.2Å; I74-R76 PolarHBondContact O-N 2.96Å; I74-M79 HydrophobicContact CB-CB 3.78Å; I74-M79 HydrophobicContact CG2-CB 3.8Å; I74-M79 HydrophobicContact CG2-CG 4.24Å; I74-G80 PolarHBondContact N-O 3.04Å; I74-G80 PolarHBondContact O-N 2.89Å; I74-F82 HydrophobicContact CB-CE2 4.45Å; I74-F82 HydrophobicContact CD1-CD2 3.97Å; I74-F82 HydrophobicContact CD1-CE2 3.67Å; I74-F82 HydrophobicContact CG1-CD2 4.13Å; I74-F82 HydrophobicContact CG1-CE2 4.07Å; I74-N257 HydrophobicContact CD1-CB 4.33Å; I74-W260 HydrophobicContact CB-CG 4.44Å; I74-W260 HydrophobicContact CD1-CB 4.31Å; I74-W260 HydrophobicContact CG1-CB 3.89Å; I74-W260 HydrophobicContact CG1-CG 3.95Å; I74-W260 HydrophobicContact CG2-CG 4.24Å; I74-F261 HydrophobicContact CD1-CE2 3.7Å; I74-F261 HydrophobicContact CD1-CZ 4.08Å
75	P	90.3	Very high	89.5	Confident	94 Å²	94	50.5 Å²	50.5	61%	0.61	29%	0.293	S	S	*	.			trans	-78	49.8	-174.2	34.5	-37.7	0	0	0	112.1	D73 W260	D73-P75 WeakPolarHBondContact O-CD 3.42Å; P75-W260 VanDerWaalsContact CD-CZ2 3.41Å; P75-W260 HydrophobicContact CG-CH2 3.37Å; P75-W260 HydrophobicContact CG-CZ2 3.58Å; P75-W260 HydrophobicContact CG-CZ3 4.06Å
76	R	85.1	Confident	90.3	Very high	94 Å²	94	46.4 Å²	46.4	36%	0.355	27%	0.268	S	S	.	.	S	Bend	trans	-118.4	146.3	174.5	-67.4	-173.4	179.8	174	6.8	110	I74 G78 M79 Q256 N257 E259	I74-R76 HydrophobicContact CG2-CB 4.22Å; I74-R76 HydrophobicContact CG2-CG 4.2Å; I74-R76 PolarHBondContact O-N 2.96Å; R76-G78 PolarHBondContact O-N 2.8Å; R76-G78 VanDerWaalsContact O-N 3.13Å; R76-M79 HydrophobicContact CB-CG 4.37Å; R76-M79 PolarHBondContact O-N 3.35Å; R76-M79 VanDerWaalsContact O-N 3.1Å; R76-Q256 VanDerWaalsContact NH1-C 3.33Å; R76-Q256 PolarHBondContact NH1-O 3.03Å; R76-Q256 PolarHBondContact NH2-O 2.94Å; R76-N257 PolarHBondContact NH1-OD1 2.75Å; R76-N257 VanDerWaalsContact NH1-OD1 3.1Å; R76-E259 IonicContact NH2-OE1 3.6Å
77	A	77.5	Confident	90.8	Very high	84 Å²	84	41.9 Å²	41.9	69%	0.694	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	120.7	177.2	0	0	0	0	0	110.2	Y131	A77-Y131 HydrophobicContact CB-CE2 4.27Å
78	G	81	Confident	90.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	6.7	178.7	0	0	0	0	0	116.6	R76 L132	R76-G78 PolarHBondContact O-N 2.8Å; R76-G78 VanDerWaalsContact O-N 3.13Å; G78-L132 VanDerWaalsContact O-CB 3.27Å; G78-L132 WeakPolarHBondContact O-CB 3.49Å; G78-L132 WeakPolarHBondContact O-CG 3.43Å; G78-L132 PolarHBondContact O-N 2.96Å
79	M	86.3	Confident	90.6	Very high	20 Å²	20	36 Å²	36	10%	0.099	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-54.4	177.5	-65.4	-68.6	172.8	0	0	112.4	I74 R76 F82 L132 W253	I74-M79 HydrophobicContact CB-CB 3.78Å; I74-M79 HydrophobicContact CG2-CB 3.8Å; I74-M79 HydrophobicContact CG2-CG 4.24Å; R76-M79 HydrophobicContact CB-CG 4.37Å; R76-M79 PolarHBondContact O-N 3.35Å; R76-M79 VanDerWaalsContact O-N 3.1Å; M79-F82 HydrophobicContact CB-CE2 4.08Å; M79-F82 HydrophobicContact CB-CZ 4.42Å; M79-F82 WeakPolarHBondContact O-CE2 3.21Å; M79-F82 WeakPolarHBondContact O-CZ 3.12Å; M79-F82 HydrophobicContact SD-CZ 4.3Å; M79-L132 VanDerWaalsContact O-CD1 3.3Å; M79-L132 WeakPolarHBondContact O-CD1 3.49Å; M79-W253 VanDerWaalsContact CE-CD1 3.49Å; M79-W253 PolarHBondContact SD-NE1 2.69Å
80	G	89.5	Confident	89.7	Confident	8 Å²	8	37 Å²	37	8%	0.082	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.1	-151.3	173.6	0	0	0	0	0	114.6	I74 F82	I74-G80 PolarHBondContact N-O 3.04Å; I74-G80 PolarHBondContact O-N 2.89Å; G80-F82 WeakPolarHBondContact O-CD2 2.77Å
81	K	92.3	Very high	88.4	Confident	109 Å²	109	36.1 Å²	36.1	47%	0.474	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.3	-175	-69	-178.5	-176.5	-176.5	0	112.1	D73 P137 W138	D73-K81 HydrophobicContact CB-CG 3.97Å; D73-K81 VanDerWaalsContact CG-CG 3.43Å; D73-K81 WeakPolarHBondContact OD2-CE 3.43Å; D73-K81 WeakPolarHBondContact OD2-CG 3.17Å; K81-P137 HydrophobicContact CB-CB 4.13Å; K81-P137 CarbonylContact O-C 3.51Å; K81-P137 VanDerWaalsContact O-CA 3.28Å; K81-P137 WeakPolarHBondContact O-CA 3.2Å; K81-W138 PolarHBondContact O-N 3.17Å
82	F	94.2	Very high	86.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.1	171.1	-62.8	-91.4	0	0	0	110.2	V71 V72 I74 M79 G80 F109 I112 L132 W138	V71-F82 WeakPolarHBondContact CA-O 3.43Å; V72-F82 PolarHBondContact N-O 2.98Å; V72-F82 PolarHBondContact O-N 3.18Å; I74-F82 HydrophobicContact CB-CE2 4.45Å; I74-F82 HydrophobicContact CD1-CD2 3.97Å; I74-F82 HydrophobicContact CD1-CE2 3.67Å; I74-F82 HydrophobicContact CG1-CD2 4.13Å; I74-F82 HydrophobicContact CG1-CE2 4.07Å; M79-F82 HydrophobicContact CB-CE2 4.08Å; M79-F82 HydrophobicContact CB-CZ 4.42Å; M79-F82 WeakPolarHBondContact O-CE2 3.21Å; M79-F82 WeakPolarHBondContact O-CZ 3.12Å; M79-F82 HydrophobicContact SD-CZ 4.3Å; G80-F82 WeakPolarHBondContact O-CD2 2.77Å; F82-F109 HydrophobicContact CB-CD1 3.98Å; F82-F109 HydrophobicContact CB-CE1 3.84Å; F82-I112 HydrophobicContact CD1-CD1 4.5Å; F82-I112 HydrophobicContact CD1-CG1 4.03Å; F82-I112 HydrophobicContact CD1-CG2 4.42Å; F82-I112 HydrophobicContact CE1-CB 4.49Å; F82-I112 HydrophobicContact CE1-CG1 4.24Å; F82-I112 HydrophobicContact CE1-CG2 3.8Å; F82-I112 HydrophobicContact CZ-CG2 4.28Å; F82-L132 HydrophobicContact CE1-CD1 3.52Å; F82-L132 HydrophobicContact CE2-CD1 4.4Å; F82-L132 HydrophobicContact CZ-CD1 3.4Å; F82-L132 VanDerWaalsContact CZ-CD1 3.4Å; F82-W138 WeakPolarHBondContact CA-O 3.25Å; F82-W138 HydrophobicContact CD1-CB 3.8Å; F82-W138 AromaticContact CD1-CD1 3.7Å; F82-W138 AromaticContact CD1-CG 3.99Å; F82-W138 HydrophobicContact CD1-CG 3.99Å; F82-W138 HydrophobicContact CE1-CB 4Å; F82-W138 AromaticContact CE1-CD1 3.96Å; F82-W138 HydrophobicContact CE1-CG 4.05Å
83	I	94.3	Very high	84.7	Confident	11 Å²	11	36.2 Å²	36.2	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110.1	176.6	-56.6	176.8	0	0	0	108.3	Y63 D69 V70 V71 P137 W138 F139 A140	Y63-I83 HydrophobicContact CE1-CD1 4.21Å; Y63-I83 HydrophobicContact CE2-CD1 4.49Å; Y63-I83 HydrophobicContact CE2-CG2 4.18Å; D69-I83 HydrophobicContact CB-CG2 4.34Å; V70-I83 WeakPolarHBondContact O-CA 3.35Å; V71-I83 HydrophobicContact CG2-CG1 4.34Å; I83-P137 HydrophobicContact CD1-CB 3.66Å; I83-P137 HydrophobicContact CD1-CG 3.96Å; I83-P137 HydrophobicContact CG1-CB 4.07Å; I83-W138 PolarHBondContact N-O 2.9Å; I83-F139 HydrophobicContact CB-CD1 4.23Å; I83-F139 HydrophobicContact CD1-CD1 4.13Å; I83-F139 HydrophobicContact CD1-CE1 3.7Å; I83-A140 CarbonylContact O-C 3.57Å; I83-A140 WeakPolarHBondContact O-CA 3.43Å; I83-A140 PolarHBondContact O-N 3.37Å
84	G	95.9	Very high	82.4	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-156.6	170	0	0	0	0	0	110.8	V70 V108	V70-G84 PolarHBondContact N-O 2.83Å; V70-G84 VanDerWaalsContact N-O 3.13Å; V70-G84 PolarHBondContact O-N 3.08Å; G84-V108 CarbonylContact C-O 3.59Å; G84-V108 VanDerWaalsContact CA-O 3.27Å; G84-V108 WeakPolarHBondContact CA-O 3.42Å
85	F	95.2	Very high	79.9	Confident	10 Å²	10	42.4 Å²	42.4	4%	0.044	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158	177.5	61.8	-84.8	0	0	0	111.3	N68 T87 V108 L110 K141 T595 L596	N68-F85 CarbonylContact O-C 3.53Å; N68-F85 VanDerWaalsContact O-CA 3.26Å; N68-F85 WeakPolarHBondContact O-CA 3.02Å; F85-T87 HydrophobicContact CE2-CG2 4.2Å; F85-V108 HydrophobicContact CD2-CB 4.41Å; F85-V108 HydrophobicContact CE1-CB 4.24Å; F85-V108 HydrophobicContact CE1-CG1 4.12Å; F85-V108 HydrophobicContact CE2-CB 4Å; F85-V108 HydrophobicContact CE2-CG1 4.33Å; F85-V108 HydrophobicContact CE2-CG2 4.35Å; F85-V108 HydrophobicContact CZ-CB 3.92Å; F85-V108 HydrophobicContact CZ-CG1 3.8Å; F85-V108 PolarHBondContact N-O 3.46Å; F85-V108 PolarHBondContact O-N 3Å; F85-L110 HydrophobicContact CE1-CD1 4.23Å; F85-L110 HydrophobicContact CE1-CG 4.45Å; F85-L110 HydrophobicContact CZ-CD1 4.26Å; F85-K141 HydrophobicContact CD1-CB 4.17Å; F85-K141 HydrophobicContact CD1-CG 4.17Å; F85-K141 HydrophobicContact CE1-CB 4.45Å; F85-K141 WeakPolarHBondContact CE1-O 3.27Å; F85-T595 HydrophobicContact CD2-CG2 4.33Å; F85-T595 HydrophobicContact CE2-CG2 3.65Å; F85-T595 HydrophobicContact CZ-CG2 4.33Å; F85-L596 HydrophobicContact CZ-CD2 4.33Å
86	S	93.9	Very high	77.8	Confident	13 Å²	13	42.9 Å²	42.9	9%	0.091	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.5	170.9	-170.2	0	0	0	0	109.7	N68 V106 N107 N177	N68-S86 PolarHBondContact ND2-O 3.49Å; N68-S86 PolarHBondContact O-N 3.23Å; S86-V106 WeakPolarHBondContact CA-O 3.06Å; S86-N107 PolarHBondContact OG-OD1 2.91Å; S86-N177 PolarHBondContact OG-ND2 2.82Å; S86-N177 VanDerWaalsContact OG-ND2 3.13Å
87	T	91.3	Very high	75.9	Confident	17 Å²	17	46 Å²	46	10%	0.104	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.8	172.8	-172.6	0	0	0	0	110.4	F85 V106 V108 L209	F85-T87 HydrophobicContact CE2-CG2 4.2Å; T87-V106 PolarHBondContact N-O 3.29Å; T87-V106 PolarHBondContact O-N 3.01Å; T87-V108 HydrophobicContact CG2-CG2 3.88Å; T87-L209 HydrophobicContact CG2-CD2 3.63Å
88	T	86.1	Confident	74.3	Confident	67 Å²	67	47.8 Å²	47.8	41%	0.411	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	146.8	173.5	51.2	0	0	0	0	110.8	R104 L105	T88-R104 WeakPolarHBondContact CA-O 3.44Å; T88-L105 HydrophobicContact CG2-CD2 3.45Å; T88-L105 VanDerWaalsContact CG2-CD2 3.45Å; T88-L105 HydrophobicContact CG2-CG 4.14Å
89	I	84.9	Confident	72.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.4	162.1	-172.7	163.2	0	0	0	109.2	Y91 G103 R104 V106 L209 A210 M588	I89-Y91 PolarHBondContact O-N 3.19Å; I89-G103 CarbonylContact O-C 3.54Å; I89-G103 WeakPolarHBondContact O-CA 3.37Å; I89-R104 PolarHBondContact N-O 2.94Å; I89-R104 PolarHBondContact O-N 3.04Å; I89-V106 HydrophobicContact CG2-CG2 4.09Å; I89-L209 HydrophobicContact CD1-CB 3.72Å; I89-A210 HydrophobicContact CD1-CB 3.86Å; I89-M588 HydrophobicContact CD1-CE 3.97Å; I89-M588 HydrophobicContact CD1-CG 4.12Å
90	N	74.2	Confident	71.1	Confident	52 Å²	52	51.5 Å²	51.5	28%	0.278	26%	0.258	S	S	.	.			trans	-76.1	74.9	-177.3	-79.5	-3.9	0	0	0	110.3	P100	N90-P100 HydrophobicContact CB-CG 3.69Å
91	Y	67.3	Low	69.2	Low	4 Å²	4	56 Å²	56	2%	0.016	29%	0.285	C	S	.	.			trans	-130.8	75.6	-174.9	-160.4	-95.4	0	0	0	110.2	I89 H93 S213 K214 F587 E621 L624	I89-Y91 PolarHBondContact O-N 3.19Å; Y91-H93 AromaticContact CD1-NE2 3.88Å; Y91-H93 AromaticContact CE1-CE1 3.81Å; Y91-H93 AromaticContact CE1-NE2 3.55Å; Y91-S213 WeakPolarHBondContact CD1-OG 3.42Å; Y91-K214 HydrophobicContact CE1-CD 3.73Å; Y91-K214 WeakPolarHBondContact OH-CE 3.44Å; Y91-K214 PolarHBondContact OH-NZ 2.96Å; Y91-F587 HydrophobicContact CD2-CD1 4.28Å; Y91-F587 AromaticContact CD2-CD2 3.82Å; Y91-F587 HydrophobicContact CD2-CD2 3.82Å; Y91-F587 HydrophobicContact CD2-CE1 4.49Å; Y91-F587 HydrophobicContact CD2-CE2 4.05Å; Y91-F587 AromaticContact CD2-CG 3.95Å; Y91-F587 HydrophobicContact CD2-CG 3.95Å; Y91-F587 HydrophobicContact CD2-CZ 4.38Å; Y91-F587 AromaticContact CE2-CD2 3.87Å; Y91-F587 HydrophobicContact CE2-CD2 3.87Å; Y91-F587 HydrophobicContact CE2-CE1 4.39Å; Y91-F587 AromaticContact CE2-CE2 3.62Å; Y91-F587 HydrophobicContact CE2-CE2 3.62Å; Y91-F587 HydrophobicContact CE2-CG 4.35Å; Y91-F587 AromaticContact CE2-CZ 3.91Å; Y91-F587 HydrophobicContact CE2-CZ 3.91Å; Y91-E621 WeakPolarHBondContact OH-CG 3.27Å; Y91-L624 HydrophobicContact CD2-CD1 4.39Å; Y91-L624 HydrophobicContact CE2-CD1 3.6Å
92	D	57.9	Low	67.4	Low	38 Å²	38	54.2 Å²	54.2	20%	0.203	29%	0.286	C	S	.	.			trans	-97	131.7	172.9	-161.7	-31.1	0	0	0	109.1	T94 P100 S102	D92-T94 PolarHBondContact O-N 3.32Å; D92-T94 WeakPolarHBondContact OD1-CB 3.26Å; D92-T94 PolarHBondContact OD1-N 2.04Å; D92-T94 PolarHBondContact OD1-OG1 3.34Å; D92-T94 PolarHBondContact OD2-OG1 3.01Å; D92-P100 HydrophobicContact CB-CB 3.23Å; D92-S102 PolarHBondContact OD2-OG 3.47Å
93	H	54	Low	65.9	Low	65 Å²	65	55.8 Å²	55.8	30%	0.301	30%	0.301	S	S	.	.	S	Bend	trans	-77.5	-8.5	179.3	-65.9	-110.4	0	0	0	111.8	Y91 W95 R104 K214	Y91-H93 AromaticContact CD1-NE2 3.88Å; Y91-H93 AromaticContact CE1-CE1 3.81Å; Y91-H93 AromaticContact CE1-NE2 3.55Å; H93-W95 PolarHBondContact O-N 3.07Å; H93-R104 VanDerWaalsContact CD2-CZ 3.45Å; H93-R104 PolarHBondContact CD2-NH2 3.05Å; H93-R104 PolarHBondContact NE2-NH1 3.4Å; H93-R104 PolarHBondContact NE2-NH2 2.83Å; H93-K214 PolarHBondContact CE1-NZ 2.93Å
94	T	44.7	Very low	65.3	Low	68 Å²	68	60.2 Å²	60.2	42%	0.417	32%	0.318	S	S	.	.			trans	-81.2	85.2	178.8	59.9	0	0	0	0	110.3	D92 S96 R97	D92-T94 PolarHBondContact O-N 3.32Å; D92-T94 WeakPolarHBondContact OD1-CB 3.26Å; D92-T94 PolarHBondContact OD1-N 2.04Å; D92-T94 PolarHBondContact OD1-OG1 3.34Å; D92-T94 PolarHBondContact OD2-OG1 3.01Å; T94-S96 PolarHBondContact O-N 3.47Å; T94-R97 PolarHBondContact O-N 3.25Å
95	W	42.4	Very low	64.9	Low	135 Å²	135	64 Å²	64	51%	0.511	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-21.1	173.8	-65.7	85	0	0	0	115.4	H93 N618 E621	H93-W95 PolarHBondContact O-N 3.07Å; W95-N618 VanDerWaalsContact CZ3-OD1 3.29Å; W95-N618 WeakPolarHBondContact CZ3-OD1 3.18Å; W95-E621 HydrophobicContact CH2-CG 4.26Å; W95-E621 WeakPolarHBondContact CH2-OE2 3.4Å; W95-E621 HydrophobicContact CZ2-CG 4.01Å; W95-E621 VanDerWaalsContact CZ2-OE1 3.26Å; W95-E621 WeakPolarHBondContact CZ2-OE1 3.47Å; W95-E621 WeakPolarHBondContact CZ2-OE2 3.24Å
96	S	45	Very low	64.8	Low	104 Å²	104	63.6 Å²	63.6	73%	0.727	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.5	-178.3	55.1	0	0	0	0	114.9	T94	T94-S96 PolarHBondContact O-N 3.47Å
97	R	45.4	Very low	64.8	Low	159 Å²	159	63.4 Å²	63.4	60%	0.6	33%	0.334	S	S	*	.	S	Bend	trans	-133.7	85.7	-178	-67.7	-175.3	-173.8	179.4	2.6	111.2	T94 P99 P100	T94-R97 PolarHBondContact O-N 3.25Å; R97-P99 CarbonylContact O-C 3.2Å; R97-P100 WeakPolarHBondContact O-CA 3.48Å
98	W	43.8	Very low	65.2	Low	122 Å²	122	62.6 Å²	62.6	46%	0.462	33%	0.329	S	S	.	.	S	Bend	trans	-95.7	134	161.4	-123.8	89.3	0	0	0	110.2	F587 Y613 T617	W98-F587 HydrophobicContact CZ2-CD1 4.47Å; W98-Y613 HydrophobicContact CB-CE2 4.01Å; W98-Y613 AromaticContact CD1-CE2 3.51Å; W98-Y613 HydrophobicContact CD2-CD2 4.04Å; W98-Y613 AromaticContact CD2-CE2 3.92Å; W98-Y613 HydrophobicContact CD2-CE2 3.92Å; W98-Y613 HydrophobicContact CG-CD2 4.14Å; W98-Y613 AromaticContact CG-CE2 3.52Å; W98-Y613 HydrophobicContact CG-CE2 3.52Å; W98-Y613 AromaticContact CG-CZ 3.97Å; W98-Y613 AromaticContact NE1-CE2 3.87Å; W98-T617 HydrophobicContact CZ2-CG2 4.22Å
99	P	52.4	Low	65.7	Low	87 Å²	87	59.4 Å²	59.4	57%	0.565	31%	0.309	S	S	*	.	S	Bend	cis	-69.7	148.9	-4.5	30.3	-33.9	0	0	0	112.5	R97 T101	R97-P99 CarbonylContact O-C 3.2Å; P99-T101 PolarHBondContact O-N 2.86Å; P99-T101 VanDerWaalsContact O-N 3.17Å
100	P	49.5	Very low	66.3	Low	12 Å²	12	59.4 Å²	59.4	8%	0.078	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-49.4	122.3	176.8	19.9	-34	0	0	0	110.3	N90 D92 R97 S102	N90-P100 HydrophobicContact CB-CG 3.69Å; D92-P100 HydrophobicContact CB-CB 3.23Å; R97-P100 WeakPolarHBondContact O-CA 3.48Å; P100-S102 VanDerWaalsContact C-N 3.31Å
101	T	48	Very low	67.4	Low	104 Å²	104	57 Å²	57	64%	0.638	30%	0.296	S	S	*	.	S	Bend	trans	-77.3	-19.4	-177.1	45	0	0	0	0	113	P99	P99-T101 PolarHBondContact O-N 2.86Å; P99-T101 VanDerWaalsContact O-N 3.17Å
102	S	54.8	Low	68.8	Low	71 Å²	71	56.8 Å²	56.8	50%	0.497	30%	0.295	S	S	.	.	S	Bend	trans	-130	116.1	177.6	65.3	0	0	0	0	110.6	D92 P100	D92-S102 PolarHBondContact OD2-OG 3.47Å; P100-S102 VanDerWaalsContact C-N 3.31Å
103	G	63.6	Low	70.6	Confident	32 Å²	32	55 Å²	55	33%	0.33	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-79.6	147.7	173.1	0	0	0	0	0	111	I89	I89-G103 CarbonylContact O-C 3.54Å; I89-G103 WeakPolarHBondContact O-CA 3.37Å
104	R	80.3	Confident	72.6	Confident	105 Å²	105	52 Å²	52	40%	0.396	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.8	170.6	-71.2	-174	173.5	-158	-9.4	109.4	T88 I89 H93 S213	T88-R104 WeakPolarHBondContact CA-O 3.44Å; I89-R104 PolarHBondContact N-O 2.94Å; I89-R104 PolarHBondContact O-N 3.04Å; H93-R104 VanDerWaalsContact CD2-CZ 3.45Å; H93-R104 PolarHBondContact CD2-NH2 3.05Å; H93-R104 PolarHBondContact NE2-NH1 3.4Å; H93-R104 PolarHBondContact NE2-NH2 2.83Å; R104-S213 VanDerWaalsContact CD-O 3.31Å; R104-S213 WeakPolarHBondContact CD-O 3.24Å; R104-S213 PolarHBondContact NH1-O 3.33Å
105	L	87.9	Confident	75	Confident	80 Å²	80	48.8 Å²	48.8	42%	0.419	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.8	173.4	-71.6	165.3	0	0	0	109.8	T88 N177	T88-L105 HydrophobicContact CG2-CD2 3.45Å; T88-L105 VanDerWaalsContact CG2-CD2 3.45Å; T88-L105 HydrophobicContact CG2-CG 4.14Å; L105-N177 HydrophobicContact CB-CB 3.71Å; L105-N177 WeakPolarHBondContact O-CB 3.32Å; L105-N177 PolarHBondContact O-N 2.98Å
106	V	92.9	Very high	77.4	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.8	176	177.3	0	0	0	0	107.6	S86 T87 I89 V108 Y175 A212	S86-V106 WeakPolarHBondContact CA-O 3.06Å; T87-V106 PolarHBondContact N-O 3.29Å; T87-V106 PolarHBondContact O-N 3.01Å; I89-V106 HydrophobicContact CG2-CG2 4.09Å; V106-V108 HydrophobicContact CG1-CG2 4.15Å; V106-Y175 CarbonylContact C-O 3.15Å; V106-Y175 WeakPolarHBondContact CA-O 3.4Å; V106-Y175 WeakPolarHBondContact CG1-O 3.35Å; V106-A212 HydrophobicContact CG1-CB 3.8Å; V106-A212 HydrophobicContact CG2-CB 4.49Å
107	N	95.6	Very high	79.7	Confident	10 Å²	10	39.4 Å²	39.4	5%	0.053	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	134.4	171.2	-66.6	-32.3	0	0	0	109.2	V70 S86 Y174 Y175 N177	V70-N107 HydrophobicContact CG1-CB 4.43Å; V70-N107 HydrophobicContact CG2-CB 4.47Å; V70-N107 WeakPolarHBondContact CG2-OD1 3.49Å; S86-N107 PolarHBondContact OG-OD1 2.91Å; N107-Y174 WeakPolarHBondContact O-CA 3.32Å; N107-Y175 HydrophobicContact CB-CD1 3.79Å; N107-Y175 HydrophobicContact CB-CD2 4.07Å; N107-Y175 HydrophobicContact CB-CE1 3.37Å; N107-Y175 HydrophobicContact CB-CE2 3.69Å; N107-Y175 HydrophobicContact CB-CG 4.12Å; N107-Y175 PolarHBondContact N-O 3.08Å; N107-Y175 WeakPolarHBondContact ND2-CE2 3.09Å; N107-Y175 PolarHBondContact O-N 3.36Å; N107-N177 WeakPolarHBondContact OD1-CB 3.24Å; N107-N177 PolarHBondContact OD1-ND2 2.9Å; N107-N177 VanDerWaalsContact OD1-ND2 3.1Å
108	V	97.9	Very high	82	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.1	-170.4	-174.7	0	0	0	0	109.9	G84 F85 T87 V106 L110 Y174 L596	G84-V108 CarbonylContact C-O 3.59Å; G84-V108 VanDerWaalsContact CA-O 3.27Å; G84-V108 WeakPolarHBondContact CA-O 3.42Å; F85-V108 HydrophobicContact CD2-CB 4.41Å; F85-V108 HydrophobicContact CE1-CB 4.24Å; F85-V108 HydrophobicContact CE1-CG1 4.12Å; F85-V108 HydrophobicContact CE2-CB 4Å; F85-V108 HydrophobicContact CE2-CG1 4.33Å; F85-V108 HydrophobicContact CE2-CG2 4.35Å; F85-V108 HydrophobicContact CZ-CB 3.92Å; F85-V108 HydrophobicContact CZ-CG1 3.8Å; F85-V108 PolarHBondContact N-O 3.46Å; F85-V108 PolarHBondContact O-N 3Å; T87-V108 HydrophobicContact CG2-CG2 3.88Å; V106-V108 HydrophobicContact CG1-CG2 4.15Å; V108-L110 HydrophobicContact CG1-CD1 4.3Å; V108-L110 HydrophobicContact CG1-CD2 3.53Å; V108-L110 HydrophobicContact CG1-CG 3.72Å; V108-Y174 HydrophobicContact CB-CD1 4.39Å; V108-Y174 HydrophobicContact CG1-CD1 3.78Å; V108-Y174 HydrophobicContact CG1-CE1 3.67Å; V108-Y174 HydrophobicContact CG2-CD1 4Å; V108-L596 HydrophobicContact CG1-CD2 4.29Å
109	F	98.2	Very high	84.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	114.1	172.8	-70.8	-107.1	0	0	0	108.2	V70 V72 F82 I112 A140 N172 V173 Y175 F261	V70-F109 HydrophobicContact CB-CE2 4.2Å; V70-F109 HydrophobicContact CB-CZ 4.11Å; V70-F109 HydrophobicContact CG1-CE2 3.94Å; V70-F109 HydrophobicContact CG1-CZ 3.91Å; V70-F109 WeakPolarHBondContact O-CZ 3.31Å; V72-F109 HydrophobicContact CB-CE1 4.12Å; V72-F109 HydrophobicContact CB-CZ 3.99Å; V72-F109 HydrophobicContact CG2-CE1 4.14Å; V72-F109 HydrophobicContact CG2-CE2 4.07Å; V72-F109 HydrophobicContact CG2-CZ 3.5Å; V72-F109 VanDerWaalsContact CG2-CZ 3.5Å; F82-F109 HydrophobicContact CB-CD1 3.98Å; F82-F109 HydrophobicContact CB-CE1 3.84Å; F109-I112 HydrophobicContact CB-CD1 3.79Å; F109-I112 HydrophobicContact CB-CG1 4.4Å; F109-I112 HydrophobicContact CD1-CD1 4.5Å; F109-I112 HydrophobicContact CG-CD1 4.47Å; F109-A140 CarbonylContact C-O 3.39Å; F109-A140 WeakPolarHBondContact CA-O 3.28Å; F109-A140 HydrophobicContact CB-CB 4.04Å; F109-A140 HydrophobicContact CD1-CB 3.91Å; F109-A140 HydrophobicContact CG-CB 4.45Å; F109-N172 CarbonylContact O-C 3.5Å; F109-N172 WeakPolarHBondContact O-CA 3.41Å; F109-V173 HydrophobicContact CB-CB 4.39Å; F109-V173 PolarHBondContact N-O 2.92Å; F109-V173 PolarHBondContact O-N 3.4Å; F109-Y175 AromaticContact CD2-CE1 3.81Å; F109-Y175 HydrophobicContact CD2-CE1 3.81Å; F109-Y175 AromaticContact CE2-CE1 3.61Å; F109-Y175 HydrophobicContact CE2-CE1 3.61Å; F109-F261 HydrophobicContact CB-CE1 4.35Å; F109-F261 AromaticContact CD1-CE1 3.79Å; F109-F261 HydrophobicContact CD1-CE1 3.79Å; F109-F261 HydrophobicContact CD2-CD1 4.03Å; F109-F261 AromaticContact CD2-CE1 3.93Å; F109-F261 HydrophobicContact CD2-CE1 3.93Å; F109-F261 HydrophobicContact CE1-CE1 4.03Å; F109-F261 HydrophobicContact CE2-CD1 4.23Å; F109-F261 HydrophobicContact CE2-CE1 4.18Å; F109-F261 HydrophobicContact CG-CD1 4.3Å; F109-F261 AromaticContact CG-CE1 3.75Å; F109-F261 HydrophobicContact CG-CE1 3.75Å; F109-F261 HydrophobicContact CZ-CE1 4.24Å
110	L	97.5	Very high	85.9	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.9	-177.7	-53.5	179.4	0	0	0	110.5	F85 V108 A140 R142 F143 N172 Y174	F85-L110 HydrophobicContact CE1-CD1 4.23Å; F85-L110 HydrophobicContact CE1-CG 4.45Å; F85-L110 HydrophobicContact CZ-CD1 4.26Å; V108-L110 HydrophobicContact CG1-CD1 4.3Å; V108-L110 HydrophobicContact CG1-CD2 3.53Å; V108-L110 HydrophobicContact CG1-CG 3.72Å; L110-A140 PolarHBondContact N-O 3.25Å; L110-A140 CarbonylContact O-C 3.55Å; L110-A140 WeakPolarHBondContact O-CA 3.42Å; L110-A140 WeakPolarHBondContact O-CB 3.12Å; L110-R142 CarbonylContact C-O 3.57Å; L110-R142 VanDerWaalsContact C-O 3.28Å; L110-R142 WeakPolarHBondContact CB-O 3.22Å; L110-R142 VanDerWaalsContact O-O 3.06Å; L110-F143 HydrophobicContact CD1-CD2 4Å; L110-F143 HydrophobicContact CD1-CE2 4.01Å; L110-F143 HydrophobicContact CD1-CG 4.33Å; L110-F143 HydrophobicContact CD1-CZ 4.36Å; L110-F143 HydrophobicContact CD2-CD1 4.26Å; L110-F143 HydrophobicContact CD2-CE1 3.85Å; L110-F143 HydrophobicContact CD2-CE2 4.43Å; L110-F143 HydrophobicContact CD2-CZ 3.94Å; L110-N172 VanDerWaalsContact CA-OD1 3.31Å; L110-N172 WeakPolarHBondContact CA-OD1 3.38Å; L110-N172 HydrophobicContact CD2-CB 3.87Å; L110-Y174 HydrophobicContact CD2-CE1 3.86Å; L110-Y174 WeakPolarHBondContact CD2-OH 3.44Å
111	G	96.3	Very high	87.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.3	40.7	172.9	0	0	0	0	0	115.2	W138 Y170 L171 N172	G111-W138 PolarHBondContact O-NE1 2.96Å; G111-Y170 WeakPolarHBondContact O-CD1 3.45Å; G111-L171 PolarHBondContact N-O 3.15Å; G111-N172 PolarHBondContact N-OD1 3.09Å
112	I	97	Very high	89.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.9	169.9	-65.4	170.5	0	0	0	108.9	F82 F109 Y114 A140 Y170 L171 V173 W253 F261	F82-I112 HydrophobicContact CD1-CD1 4.5Å; F82-I112 HydrophobicContact CD1-CG1 4.03Å; F82-I112 HydrophobicContact CD1-CG2 4.42Å; F82-I112 HydrophobicContact CE1-CB 4.49Å; F82-I112 HydrophobicContact CE1-CG1 4.24Å; F82-I112 HydrophobicContact CE1-CG2 3.8Å; F82-I112 HydrophobicContact CZ-CG2 4.28Å; F109-I112 HydrophobicContact CB-CD1 3.79Å; F109-I112 HydrophobicContact CB-CG1 4.4Å; F109-I112 HydrophobicContact CD1-CD1 4.5Å; F109-I112 HydrophobicContact CG-CD1 4.47Å; I112-Y114 PolarHBondContact O-N 3.34Å; I112-A140 HydrophobicContact CG1-CB 3.94Å; I112-Y170 CarbonylContact O-C 3.41Å; I112-Y170 VanDerWaalsContact O-CA 3.28Å; I112-Y170 WeakPolarHBondContact O-CA 3.03Å; I112-L171 HydrophobicContact CB-CD1 3.8Å; I112-L171 HydrophobicContact CB-CG 4.23Å; I112-L171 HydrophobicContact CD1-CD1 4.14Å; I112-L171 HydrophobicContact CG1-CD1 4.5Å; I112-L171 HydrophobicContact CG2-CD1 4.12Å; I112-L171 HydrophobicContact CG2-CG 4.42Å; I112-L171 PolarHBondContact N-O 3.25Å; I112-L171 PolarHBondContact O-N 3.22Å; I112-V173 HydrophobicContact CD1-CG2 4.06Å; I112-W253 HydrophobicContact CD1-CH2 4.32Å; I112-W253 HydrophobicContact CG2-CH2 4.08Å; I112-W253 HydrophobicContact CG2-CZ2 3.61Å; I112-F261 HydrophobicContact CD1-CE1 4.08Å; I112-F261 HydrophobicContact CD1-CZ 3.75Å
113	P	96	Very high	91.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.7	177.2	27.1	-30.6	0	0	0	110	F54 A130 L132 W138 Y170	F54-P113 HydrophobicContact CE2-CB 4.26Å; F54-P113 HydrophobicContact CZ-CB 4.11Å; P113-A130 HydrophobicContact CB-CB 3.88Å; P113-A130 HydrophobicContact CG-CB 4.36Å; P113-A130 WeakPolarHBondContact O-CB 3.33Å; P113-L132 HydrophobicContact CG-CD2 3.62Å; P113-L132 HydrophobicContact CG-CG 4.4Å; P113-W138 VanDerWaalsContact CD-CE2 3.47Å; P113-W138 HydrophobicContact CG-CD2 4.38Å; P113-W138 HydrophobicContact CG-CH2 4.05Å; P113-W138 HydrophobicContact CG-CZ2 3.88Å; P113-W138 HydrophobicContact CG-CZ3 4.38Å; P113-Y170 HydrophobicContact CB-CD1 3.8Å; P113-Y170 HydrophobicContact CB-CE1 3.64Å; P113-Y170 HydrophobicContact CG-CD1 4.49Å; P113-Y170 HydrophobicContact CG-CE1 4.28Å
114	Y	96.4	Very high	92.8	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.123	C	C	.	.			trans	-101	-22	172.5	70.7	-97.1	0	0	0	112.1	I112 A130 L169 L171 F221 N222 D246 L249 A250	I112-Y114 PolarHBondContact O-N 3.34Å; Y114-A130 PolarHBondContact O-N 3.01Å; Y114-A130 VanDerWaalsContact O-N 3.15Å; Y114-L169 VanDerWaalsContact CD1-O 3.26Å; Y114-L169 WeakPolarHBondContact CD1-O 3.5Å; Y114-L169 HydrophobicContact CE1-CB 4.1Å; Y114-L169 WeakPolarHBondContact CE1-O 3.05Å; Y114-L169 HydrophobicContact CE2-CB 4.27Å; Y114-L169 PolarHBondContact N-O 3.39Å; Y114-L169 WeakPolarHBondContact OH-CD2 3.43Å; Y114-L171 HydrophobicContact CD1-CB 4.14Å; Y114-L171 HydrophobicContact CD1-CD2 4.07Å; Y114-L171 HydrophobicContact CD1-CG 4.28Å; Y114-L171 HydrophobicContact CG-CD2 4.22Å; Y114-F221 HydrophobicContact CE1-CB 4.27Å; Y114-F221 HydrophobicContact CE1-CD2 4.26Å; Y114-N222 PolarHBondContact OH-O 3.39Å; Y114-D246 WeakPolarHBondContact CE2-O 3.47Å; Y114-L249 HydrophobicContact CD2-CB 4.44Å; Y114-L249 HydrophobicContact CD2-CD2 4.32Å; Y114-L249 HydrophobicContact CD2-CG 4.15Å; Y114-L249 HydrophobicContact CE2-CB 4.46Å; Y114-A250 HydrophobicContact CD1-CB 4.23Å; Y114-A250 HydrophobicContact CD2-CB 3.93Å; Y114-A250 HydrophobicContact CE1-CB 4.1Å; Y114-A250 HydrophobicContact CE2-CB 3.8Å; Y114-A250 HydrophobicContact CG-CB 4.15Å
115	A	95.3	Very high	93.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.008	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-129.5	155.5	176.3	0	0	0	0	0	111.8	P127 V128 L169 L249	A115-P127 HydrophobicContact CB-CB 4.13Å; A115-V128 CarbonylContact C-O 3.58Å; A115-V128 VanDerWaalsContact CA-O 3.24Å; A115-V128 WeakPolarHBondContact CA-O 3.4Å; A115-L169 HydrophobicContact CB-CB 3.77Å; A115-L169 HydrophobicContact CB-CD1 3.6Å; A115-L169 HydrophobicContact CB-CG 4.34Å; A115-L249 HydrophobicContact CB-CD2 3.77Å
116	A	92.3	Very high	93.6	Very high	15 Å²	15	24.3 Å²	24.3	12%	0.124	12%	0.12	C	C	.	.			trans	-64.7	150.4	166.3	0	0	0	0	0	110.4	V128	A116-V128 PolarHBondContact N-O 3.19Å
117	P	93.2	Very high	93.8	Very high	27 Å²	27	25 Å²	25	18%	0.175	13%	0.125	C	C	.	.			trans	-61.7	129.4	-175.4	-22.6	36.4	0	0	0	110.5	F54 I119 R122 D167	F54-P117 HydrophobicContact CE1-CG 3.81Å; F54-P117 HydrophobicContact CZ-CG 3.62Å; P117-I119 HydrophobicContact CB-CD1 4.14Å; P117-I119 HydrophobicContact CB-CG1 4.11Å; P117-I119 HydrophobicContact CB-CG2 4.14Å; P117-I119 PolarHBondContact O-N 3.44Å; P117-R122 WeakPolarHBondContact O-CD 3.46Å; P117-D167 HydrophobicContact CB-CB 3.94Å; P117-D167 WeakPolarHBondContact CB-OD1 3.47Å; P117-D167 HydrophobicContact CG-CB 4.48Å; P117-D167 WeakPolarHBondContact CG-OD1 3.32Å
118	P	94.3	Very high	93.6	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.032	13%	0.127	C	C	.	.			trans	-80.4	38.3	-178.1	35	-38	0	0	0	112.8	R122 R123 E166 L169 R224	P118-R122 CarbonylContact O-C 3.5Å; P118-R123 VanDerWaalsContact O-CA 3.26Å; P118-R123 WeakPolarHBondContact O-CA 3.42Å; P118-R123 PolarHBondContact O-N 2.96Å; P118-E166 VanDerWaalsContact CD-O 3.23Å; P118-E166 WeakPolarHBondContact CD-O 3.13Å; P118-E166 WeakPolarHBondContact CG-O 3.36Å; P118-L169 HydrophobicContact CB-CD1 4.25Å; P118-L169 HydrophobicContact CG-CD1 3.83Å; P118-L169 HydrophobicContact CG-CG 4.03Å; P118-R224 HydrophobicContact CG-CG 4.16Å
119	I	91.3	Very high	93.4	Very high	64 Å²	64	27.8 Å²	27.8	33%	0.328	14%	0.143	S	C	.	.			trans	-91.3	161	-174.6	65.1	-178	0	0	0	112.7	P117 G121 R122 E166 D167	P117-I119 HydrophobicContact CB-CD1 4.14Å; P117-I119 HydrophobicContact CB-CG1 4.11Å; P117-I119 HydrophobicContact CB-CG2 4.14Å; P117-I119 PolarHBondContact O-N 3.44Å; I119-G121 PolarHBondContact O-N 3.14Å; I119-R122 WeakPolarHBondContact O-CB 3.32Å; I119-R122 PolarHBondContact O-N 3.01Å; I119-E166 HydrophobicContact CG2-CB 3.64Å; I119-D167 HydrophobicContact CG2-CB 4.45Å
120	N	85.5	Confident	93.1	Very high	102 Å²	102	28 Å²	28	55%	0.545	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	51.7	-124.7	174.3	-59.1	-41.2	0	0	0	111.8	R122 R123	N120-R122 PolarHBondContact O-N 3.11Å; N120-R123 VanDerWaalsContact O-CB 3.24Å; N120-R123 WeakPolarHBondContact O-CB 3.48Å; N120-R123 PolarHBondContact O-N 3.36Å
121	G	84.6	Confident	92.6	Very high	20 Å²	20	31.1 Å²	31.1	21%	0.206	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-63.5	-8.2	179	0	0	0	0	0	115.6	I119 R125 Y393	I119-G121 PolarHBondContact O-N 3.14Å; G121-R125 VanDerWaalsContact O-CD 3.32Å; G121-R125 WeakPolarHBondContact O-CD 3.29Å; G121-R125 PolarHBondContact O-NE 2.76Å; G121-R125 VanDerWaalsContact O-NE 3.1Å; G121-Y393 WeakPolarHBondContact CA-OH 3.36Å
122	R	91	Very high	92	Very high	63 Å²	63	31.5 Å²	31.5	24%	0.238	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-93.6	-8.7	172.4	-66.5	-174.9	177.9	-84.4	2.3	113.7	P117 P118 I119 N120 R125	P117-R122 WeakPolarHBondContact O-CD 3.46Å; P118-R122 CarbonylContact O-C 3.5Å; I119-R122 WeakPolarHBondContact O-CB 3.32Å; I119-R122 PolarHBondContact O-N 3.01Å; N120-R122 PolarHBondContact O-N 3.11Å; R122-R125 WeakPolarHBondContact O-CB 3.43Å; R122-R125 PolarHBondContact O-N 3.44Å
123	R	93.1	Very high	91.3	Very high	9 Å²	9	31.8 Å²	31.8	3%	0.034	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	139.2	173.4	-168.5	-172.7	-65.9	147.5	0.9	109.6	P118 N120 R125 E166 F228 L391 R392 K395	P118-R123 VanDerWaalsContact O-CA 3.26Å; P118-R123 WeakPolarHBondContact O-CA 3.42Å; P118-R123 PolarHBondContact O-N 2.96Å; N120-R123 VanDerWaalsContact O-CB 3.24Å; N120-R123 WeakPolarHBondContact O-CB 3.48Å; N120-R123 PolarHBondContact O-N 3.36Å; R123-R125 VanDerWaalsContact C-N 3.29Å; R123-R125 PolarHBondContact O-N 2.82Å; R123-E166 IonicContact CZ-OE1 3.32Å; R123-E166 IonicContact CZ-OE2 2.63Å; R123-E166 IonicContact NE-OE1 3.52Å; R123-E166 PolarHBondContact NE-OE1 2.85Å; R123-E166 IonicContact NE-OE2 3.47Å; R123-E166 IonicContact NH2-OE1 3.29Å; R123-E166 PolarHBondContact NH2-OE1 3.02Å; R123-E166 IonicContact NH2-OE2 3.79Å; R123-E166 PolarHBondContact NH2-OE2 3.28Å; R123-F228 HydrophobicContact CG-CD1 4.16Å; R123-F228 HydrophobicContact CG-CE1 4.46Å; R123-L391 PolarHBondContact NH1-O 3.28Å; R123-R392 HydrophobicContact CB-CG 4.24Å; R123-R392 PolarHBondContact NH1-O 2.88Å; R123-R392 VanDerWaalsContact NH1-O 3.15Å; R123-R392 PolarHBondContact O-NE 2.96Å; R123-K395 PolarHBondContact NH1-O 3.43Å
124	F	92.4	Very high	90.6	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	40.6	-175.1	-40.9	-64.2	0	0	0	113.7	P227 L231 Y242 L391 R392 I400	F124-P227 WeakPolarHBondContact CE1-O 3.14Å; F124-L231 HydrophobicContact CD1-CB 4.34Å; F124-L231 HydrophobicContact CE1-CB 4.28Å; F124-L231 HydrophobicContact CE1-CD1 4.26Å; F124-L231 HydrophobicContact CZ-CD1 4.48Å; F124-Y242 HydrophobicContact CB-CD2 4.34Å; F124-Y242 HydrophobicContact CB-CE2 3.72Å; F124-Y242 WeakPolarHBondContact O-CE1 3.36Å; F124-Y242 PolarHBondContact O-OH 2.75Å; F124-Y242 VanDerWaalsContact O-OH 3.04Å; F124-L391 HydrophobicContact CD2-CB 4.49Å; F124-L391 HydrophobicContact CE2-CB 3.58Å; F124-L391 HydrophobicContact CE2-CD1 4.42Å; F124-L391 HydrophobicContact CZ-CB 4.17Å; F124-L391 HydrophobicContact CZ-CD1 4.46Å; F124-R392 HydrophobicContact CD2-CG 3.76Å; F124-R392 HydrophobicContact CE2-CG 4.29Å; F124-R392 PolarHBondContact O-NH2 3.14Å; F124-I400 HydrophobicContact CZ-CD1 4.4Å
125	R	92	Very high	89.9	Confident	113 Å²	113	44 Å²	44	43%	0.426	22%	0.216	S	C	.	.	S	Bend	trans	-129	164.2	170.9	-64.5	-170.3	174.5	-169.7	-1.4	110.7	G121 R122 R123 R224 Y242	G121-R125 VanDerWaalsContact O-CD 3.32Å; G121-R125 WeakPolarHBondContact O-CD 3.29Å; G121-R125 PolarHBondContact O-NE 2.76Å; G121-R125 VanDerWaalsContact O-NE 3.1Å; R122-R125 WeakPolarHBondContact O-CB 3.43Å; R122-R125 PolarHBondContact O-N 3.44Å; R123-R125 VanDerWaalsContact C-N 3.29Å; R123-R125 PolarHBondContact O-N 2.82Å; R125-R224 VanDerWaalsContact O-CZ 3.31Å; R125-R224 PolarHBondContact O-NH1 2.92Å; R125-R224 PolarHBondContact O-NH2 3.43Å; R125-Y242 VanDerWaalsContact C-CD1 3.45Å; R125-Y242 WeakPolarHBondContact O-CD1 3.28Å
126	F	93.9	Very high	89.3	Confident	78 Å²	78	47.3 Å²	47.3	34%	0.342	23%	0.23	S	C	.	.			trans	-54.9	141.3	169.2	-60.5	-56.9	0	0	0	111	I239 W245	F126-I239 HydrophobicContact CE1-CD1 3.68Å; F126-I239 HydrophobicContact CE2-CD1 4.42Å; F126-I239 HydrophobicContact CZ-CD1 3.36Å; F126-I239 HydrophobicContact CZ-CG1 4.49Å; F126-W245 HydrophobicContact CD1-CB 4.17Å; F126-W245 AromaticContact CD1-CD1 3.79Å; F126-W245 AromaticContact CD1-CD2 3.61Å; F126-W245 HydrophobicContact CD1-CD2 3.61Å; F126-W245 AromaticContact CD1-CE2 3.85Å; F126-W245 HydrophobicContact CD1-CE3 4.11Å; F126-W245 AromaticContact CD1-CG 3.6Å; F126-W245 HydrophobicContact CD1-CG 3.6Å; F126-W245 HydrophobicContact CD1-CZ2 4.49Å; F126-W245 AromaticContact CD1-NE1 4Å; F126-W245 AromaticContact CE1-CD1 3.65Å; F126-W245 AromaticContact CE1-CD2 3.65Å; F126-W245 HydrophobicContact CE1-CD2 3.65Å; F126-W245 AromaticContact CE1-CE2 3.35Å; F126-W245 HydrophobicContact CE1-CE3 4.34Å; F126-W245 AromaticContact CE1-CG 3.85Å; F126-W245 HydrophobicContact CE1-CG 3.85Å; F126-W245 HydrophobicContact CE1-CH2 4.42Å; F126-W245 AromaticContact CE1-CZ2 3.79Å; F126-W245 HydrophobicContact CE1-CZ2 3.79Å; F126-W245 AromaticContact CE1-NE1 3.41Å; F126-W245 HydrophobicContact CZ-CZ2 4.27Å
127	P	95.9	Very high	89	Confident	14 Å²	14	48.2 Å²	48.2	9%	0.091	24%	0.235	C	C	.	.			trans	-65.2	150.9	173.1	32.5	-36.6	0	0	0	110	A115 L169 W245 D246 L249	A115-P127 HydrophobicContact CB-CB 4.13Å; P127-L169 HydrophobicContact CB-CD1 4.35Å; P127-W245 HydrophobicContact CG-CB 4.17Å; P127-W245 WeakPolarHBondContact CG-O 3.49Å; P127-D246 VanDerWaalsContact CB-OD1 3.25Å; P127-D246 WeakPolarHBondContact CB-OD1 3.39Å; P127-D246 VanDerWaalsContact CG-OD1 3.31Å; P127-D246 WeakPolarHBondContact CG-OD1 3.42Å; P127-L249 HydrophobicContact CB-CD2 3.68Å; P127-L249 HydrophobicContact CG-CB 4.1Å; P127-L249 HydrophobicContact CG-CD2 3.93Å
128	V	92.5	Very high	88.8	Confident	16 Å²	16	47.5 Å²	47.5	10%	0.097	23%	0.229	C	C	.	.			trans	-119.9	139.3	175.3	175.2	0	0	0	0	107.2	F46 A115 A116 A130	F46-V128 HydrophobicContact CB-CG1 3.91Å; F46-V128 HydrophobicContact CD1-CG1 3.83Å; F46-V128 HydrophobicContact CD2-CG1 4.49Å; F46-V128 HydrophobicContact CE1-CG1 4.44Å; F46-V128 HydrophobicContact CG-CG1 3.84Å; A115-V128 CarbonylContact C-O 3.58Å; A115-V128 VanDerWaalsContact CA-O 3.24Å; A115-V128 WeakPolarHBondContact CA-O 3.4Å; A116-V128 PolarHBondContact N-O 3.19Å; V128-A130 PolarHBondContact O-N 3.12Å
129	P	93.3	Very high	88.6	Confident	53 Å²	53	47.8 Å²	47.8	34%	0.344	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-49.4	139.5	177.9	-26.2	31.3	0	0	0	112.7	L249	P129-L249 HydrophobicContact CG-CD1 4.03Å
130	A	90.5	Very high	88.8	Confident	6 Å²	6	44.8 Å²	44.8	5%	0.05	21%	0.214	C	C	.	.			trans	-63.2	150.5	171.4	0	0	0	0	0	110.8	F54 P113 Y114 V128	F54-A130 HydrophobicContact CD2-CB 4.32Å; F54-A130 HydrophobicContact CE2-CB 3.81Å; P113-A130 HydrophobicContact CB-CB 3.88Å; P113-A130 HydrophobicContact CG-CB 4.36Å; P113-A130 WeakPolarHBondContact O-CB 3.33Å; Y114-A130 PolarHBondContact O-N 3.01Å; Y114-A130 VanDerWaalsContact O-N 3.15Å; V128-A130 PolarHBondContact O-N 3.12Å
131	Y	86.9	Confident	89.1	Confident	65 Å²	65	42.2 Å²	42.2	26%	0.255	20%	0.198	S	C	.	.			trans	-137	109.7	173.2	-163.2	-81.6	0	0	0	110	P48 R53 F54 A77	P48-Y131 HydrophobicContact CB-CG 4.43Å; P48-Y131 HydrophobicContact CG-CD1 3.58Å; P48-Y131 HydrophobicContact CG-CD2 3.62Å; P48-Y131 HydrophobicContact CG-CE1 4.05Å; P48-Y131 HydrophobicContact CG-CE2 4.08Å; P48-Y131 HydrophobicContact CG-CG 3.34Å; R53-Y131 WeakPolarHBondContact CA-O 3.39Å; R53-Y131 HydrophobicContact CG-CD1 4.02Å; R53-Y131 HydrophobicContact CG-CE1 4.41Å; F54-Y131 PolarHBondContact N-O 3.3Å; A77-Y131 HydrophobicContact CB-CE2 4.27Å
132	L	84.5	Confident	89.4	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.037	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-82.1	146.6	180	-60	178.5	0	0	0	111.4	F54 G78 M79 F82 P113 T134 W138	F54-L132 HydrophobicContact CB-CD2 3.49Å; F54-L132 VanDerWaalsContact CB-CD2 3.49Å; F54-L132 HydrophobicContact CD2-CD2 4.18Å; F54-L132 HydrophobicContact CG-CD2 4.02Å; G78-L132 VanDerWaalsContact O-CB 3.27Å; G78-L132 WeakPolarHBondContact O-CB 3.49Å; G78-L132 WeakPolarHBondContact O-CG 3.43Å; G78-L132 PolarHBondContact O-N 2.96Å; M79-L132 VanDerWaalsContact O-CD1 3.3Å; M79-L132 WeakPolarHBondContact O-CD1 3.49Å; F82-L132 HydrophobicContact CE1-CD1 3.52Å; F82-L132 HydrophobicContact CE2-CD1 4.4Å; F82-L132 HydrophobicContact CZ-CD1 3.4Å; F82-L132 VanDerWaalsContact CZ-CD1 3.4Å; P113-L132 HydrophobicContact CG-CD2 3.62Å; P113-L132 HydrophobicContact CG-CG 4.4Å; L132-T134 PolarHBondContact O-N 2.74Å; L132-W138 HydrophobicContact CD1-CB 4.05Å; L132-W138 HydrophobicContact CD1-CD2 4.48Å; L132-W138 HydrophobicContact CD1-CE3 4.5Å; L132-W138 HydrophobicContact CD1-CG 4.3Å; L132-W138 HydrophobicContact CD2-CD2 4.11Å; L132-W138 HydrophobicContact CD2-CE3 3.49Å; L132-W138 VanDerWaalsContact CD2-CE3 3.49Å; L132-W138 HydrophobicContact CD2-CZ3 3.78Å
133	D	82.1	Confident	89.6	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.032	20%	0.201	C	C	.	.			trans	-74.9	98.6	164.7	-175.8	5.3	0	0	0	110.2	R53 F54 T55 R135 F136	R53-D133 HydrophobicContact CB-CB 4.23Å; F54-D133 WeakPolarHBondContact O-CB 3.22Å; F54-D133 PolarHBondContact O-N 3.44Å; T55-D133 HydrophobicContact CG2-CB 3.71Å; T55-D133 WeakPolarHBondContact CG2-OD2 3.48Å; D133-R135 PolarHBondContact O-N 2.92Å; D133-R135 WeakPolarHBondContact OD1-CB 3.35Å; D133-R135 WeakPolarHBondContact OD1-CG 3.38Å; D133-R135 IonicContact OD1-CZ 2.68Å; D133-R135 PolarHBondContact OD1-N 3.47Å; D133-R135 IonicContact OD1-NE 2.83Å; D133-R135 PolarHBondContact OD1-NE 3.12Å; D133-R135 IonicContact OD1-NH2 3.39Å; D133-R135 IonicContact OD2-CZ 3.31Å; D133-R135 VanDerWaalsContact OD2-CZ 3.24Å; D133-R135 IonicContact OD2-NE 3.66Å; D133-R135 PolarHBondContact OD2-NE 3.35Å; D133-R135 IonicContact OD2-NH2 3.62Å; D133-R135 PolarHBondContact OD2-NH2 2.96Å; D133-F136 PolarHBondContact O-N 3.43Å
134	T	82.6	Confident	89.7	Confident	81 Å²	81	45 Å²	45	50%	0.497	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-2.7	-173.2	61.6	0	0	0	0	114.5	L132 F136	L132-T134 PolarHBondContact O-N 2.74Å; T134-F136 PolarHBondContact O-N 3.18Å
135	R	81.1	Confident	89.9	Confident	178 Å²	178	46.1 Å²	46.1	67%	0.672	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.4	171	-66.5	179.3	-67.3	171.9	1.5	112.4	D133	D133-R135 PolarHBondContact O-N 2.92Å; D133-R135 WeakPolarHBondContact OD1-CB 3.35Å; D133-R135 WeakPolarHBondContact OD1-CG 3.38Å; D133-R135 IonicContact OD1-CZ 2.68Å; D133-R135 PolarHBondContact OD1-N 3.47Å; D133-R135 IonicContact OD1-NE 2.83Å; D133-R135 PolarHBondContact OD1-NE 3.12Å; D133-R135 IonicContact OD1-NH2 3.39Å; D133-R135 IonicContact OD2-CZ 3.31Å; D133-R135 VanDerWaalsContact OD2-CZ 3.24Å; D133-R135 IonicContact OD2-NE 3.66Å; D133-R135 PolarHBondContact OD2-NE 3.35Å; D133-R135 IonicContact OD2-NH2 3.62Å; D133-R135 PolarHBondContact OD2-NH2 2.96Å
136	F	82.1	Confident	90.1	Very high	70 Å²	70	40.7 Å²	40.7	31%	0.307	19%	0.19	S	C	.	.	S	Bend	trans	-125.8	144.6	-177	-54.9	-73.9	0	0	0	110.5	I57 V60 D133 T134	I57-F136 HydrophobicContact CG1-CE2 4.38Å; V60-F136 HydrophobicContact CG1-CD1 4.14Å; V60-F136 HydrophobicContact CG2-CB 3.92Å; V60-F136 HydrophobicContact CG2-CD1 3.97Å; V60-F136 HydrophobicContact CG2-CG 4.14Å; D133-F136 PolarHBondContact O-N 3.43Å; T134-F136 PolarHBondContact O-N 3.18Å
137	P	86.4	Confident	90.3	Very high	35 Å²	35	37 Å²	37	23%	0.227	17%	0.174	C	C	.	.			trans	-68.7	148.5	172.3	30	-34	0	0	0	111.1	K81 I83 F139	K81-P137 HydrophobicContact CB-CB 4.13Å; K81-P137 CarbonylContact O-C 3.51Å; K81-P137 VanDerWaalsContact O-CA 3.28Å; K81-P137 WeakPolarHBondContact O-CA 3.2Å; I83-P137 HydrophobicContact CD1-CB 3.66Å; I83-P137 HydrophobicContact CD1-CG 3.96Å; I83-P137 HydrophobicContact CG1-CB 4.07Å; P137-F139 HydrophobicContact CG-CE1 4.43Å; P137-F139 HydrophobicContact CG-CZ 4.01Å
138	W	89.8	Confident	90.3	Very high	11 Å²	11	37 Å²	37	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125	170.3	-176.8	-89.2	0	0	0	111	F54 H56 K81 F82 I83 G111 P113 L132 A140 Y170	F54-W138 HydrophobicContact CB-CZ3 3.97Å; F54-W138 HydrophobicContact CD1-CH2 4.14Å; F54-W138 HydrophobicContact CD1-CZ3 4.16Å; F54-W138 HydrophobicContact CG-CZ3 4.35Å; H56-W138 AromaticContact CD2-CH2 3.63Å; H56-W138 AromaticContact CD2-CZ3 3.49Å; H56-W138 VanDerWaalsContact CD2-CZ3 3.49Å; H56-W138 WeakPolarHBondContact CD2-CZ3 3.49Å; K81-W138 PolarHBondContact O-N 3.17Å; F82-W138 WeakPolarHBondContact CA-O 3.25Å; F82-W138 HydrophobicContact CD1-CB 3.8Å; F82-W138 AromaticContact CD1-CD1 3.7Å; F82-W138 AromaticContact CD1-CG 3.99Å; F82-W138 HydrophobicContact CD1-CG 3.99Å; F82-W138 HydrophobicContact CE1-CB 4Å; F82-W138 AromaticContact CE1-CD1 3.96Å; F82-W138 HydrophobicContact CE1-CG 4.05Å; I83-W138 PolarHBondContact N-O 2.9Å; G111-W138 PolarHBondContact O-NE1 2.96Å; P113-W138 VanDerWaalsContact CD-CE2 3.47Å; P113-W138 HydrophobicContact CG-CD2 4.38Å; P113-W138 HydrophobicContact CG-CH2 4.05Å; P113-W138 HydrophobicContact CG-CZ2 3.88Å; P113-W138 HydrophobicContact CG-CZ3 4.38Å; L132-W138 HydrophobicContact CD1-CB 4.05Å; L132-W138 HydrophobicContact CD1-CD2 4.48Å; L132-W138 HydrophobicContact CD1-CE3 4.5Å; L132-W138 HydrophobicContact CD1-CG 4.3Å; L132-W138 HydrophobicContact CD2-CD2 4.11Å; L132-W138 HydrophobicContact CD2-CE3 3.49Å; L132-W138 VanDerWaalsContact CD2-CE3 3.49Å; L132-W138 HydrophobicContact CD2-CZ3 3.78Å; W138-A140 PolarHBondContact O-N 2.66Å; W138-Y170 HydrophobicContact CH2-CE1 4.2Å; W138-Y170 HydrophobicContact CZ2-CD1 4.47Å; W138-Y170 AromaticContact CZ2-CE1 3.87Å; W138-Y170 HydrophobicContact CZ2-CE1 3.87Å
139	F	89.8	Confident	90.4	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.053	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	94.7	179.1	-59.1	-73.9	0	0	0	111	E59 V60 Y63 I83 P137 K141	E59-F139 HydrophobicContact CB-CD2 3.84Å; E59-F139 HydrophobicContact CB-CE2 4.12Å; V60-F139 HydrophobicContact CG2-CE2 4.07Å; Y63-F139 VanDerWaalsContact CB-CZ 3.48Å; Y63-F139 AromaticContact CD1-CE1 3.75Å; Y63-F139 HydrophobicContact CD1-CE1 3.75Å; Y63-F139 HydrophobicContact CD1-CZ 4.09Å; Y63-F139 AromaticContact CD2-CD1 3.65Å; Y63-F139 HydrophobicContact CD2-CD1 3.65Å; Y63-F139 AromaticContact CD2-CE1 3.16Å; Y63-F139 HydrophobicContact CD2-CE1 3.16Å; Y63-F139 AromaticContact CD2-CZ 4Å; Y63-F139 HydrophobicContact CD2-CZ 4Å; Y63-F139 HydrophobicContact CE1-CE1 4.15Å; Y63-F139 AromaticContact CE2-CD1 3.96Å; Y63-F139 HydrophobicContact CE2-CD1 3.96Å; Y63-F139 AromaticContact CE2-CE1 3.6Å; Y63-F139 HydrophobicContact CE2-CE1 3.6Å; Y63-F139 HydrophobicContact CG-CD1 4.14Å; Y63-F139 AromaticContact CG-CE1 3.2Å; Y63-F139 HydrophobicContact CG-CE1 3.2Å; Y63-F139 AromaticContact CG-CZ 3.6Å; Y63-F139 HydrophobicContact CG-CZ 3.6Å; I83-F139 HydrophobicContact CB-CD1 4.23Å; I83-F139 HydrophobicContact CD1-CD1 4.13Å; I83-F139 HydrophobicContact CD1-CE1 3.7Å; P137-F139 HydrophobicContact CG-CE1 4.43Å; P137-F139 HydrophobicContact CG-CZ 4.01Å; F139-K141 VanDerWaalsContact C-N 3.29Å; F139-K141 PolarHBondContact O-N 2.87Å
140	A	94.2	Very high	90.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.155	C	C	.	.			trans	-90.4	54.1	177.2	0	0	0	0	0	111.4	I83 F109 L110 I112 W138	I83-A140 CarbonylContact O-C 3.57Å; I83-A140 WeakPolarHBondContact O-CA 3.43Å; I83-A140 PolarHBondContact O-N 3.37Å; F109-A140 CarbonylContact C-O 3.39Å; F109-A140 WeakPolarHBondContact CA-O 3.28Å; F109-A140 HydrophobicContact CB-CB 4.04Å; F109-A140 HydrophobicContact CD1-CB 3.91Å; F109-A140 HydrophobicContact CG-CB 4.45Å; L110-A140 PolarHBondContact N-O 3.25Å; L110-A140 CarbonylContact O-C 3.55Å; L110-A140 WeakPolarHBondContact O-CA 3.42Å; L110-A140 WeakPolarHBondContact O-CB 3.12Å; I112-A140 HydrophobicContact CG1-CB 3.94Å; W138-A140 PolarHBondContact O-N 2.66Å
141	K	92.2	Very high	90	Very high	48 Å²	48	39.1 Å²	39.1	21%	0.209	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-109.4	-4.9	-175.1	-63.5	-163.1	-178	-174.7	0	115.3	D69 F85 F139	D69-K141 VanDerWaalsContact OD1-CE 3.26Å; D69-K141 WeakPolarHBondContact OD1-CE 3.46Å; D69-K141 IonicContact OD1-NZ 3.67Å; D69-K141 PolarHBondContact OD1-NZ 2.83Å; D69-K141 IonicContact OD2-NZ 3.8Å; D69-K141 PolarHBondContact OD2-NZ 2.79Å; F85-K141 HydrophobicContact CD1-CB 4.17Å; F85-K141 HydrophobicContact CD1-CG 4.17Å; F85-K141 HydrophobicContact CE1-CB 4.45Å; F85-K141 WeakPolarHBondContact CE1-O 3.27Å; F139-K141 VanDerWaalsContact C-N 3.29Å; F139-K141 PolarHBondContact O-N 2.87Å
142	R	92.3	Very high	89.8	Confident	123 Å²	123	38.5 Å²	38.5	46%	0.464	18%	0.177	S	C	.	.	S	Bend	trans	-141.1	148.2	-179.7	63.2	179.4	173.2	130.1	-5.7	110.4	E59 L110 R144	E59-R142 IonicContact OE1-CZ 2.63Å; E59-R142 IonicContact OE1-NE 3.52Å; E59-R142 IonicContact OE1-NH2 3.11Å; E59-R142 PolarHBondContact OE1-NH2 3.49Å; L110-R142 CarbonylContact C-O 3.57Å; L110-R142 VanDerWaalsContact C-O 3.28Å; L110-R142 WeakPolarHBondContact CB-O 3.22Å; L110-R142 VanDerWaalsContact O-O 3.06Å; R142-R144 VanDerWaalsContact CG-NH1 3.29Å
143	F	95	Very high	89.8	Confident	11 Å²	11	38.8 Å²	38.8	5%	0.048	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-55.2	149.3	167	-68.3	-74.6	0	0	0	110.5	L110 Y174 H204 L596 F597	L110-F143 HydrophobicContact CD1-CD2 4Å; L110-F143 HydrophobicContact CD1-CE2 4.01Å; L110-F143 HydrophobicContact CD1-CG 4.33Å; L110-F143 HydrophobicContact CD1-CZ 4.36Å; L110-F143 HydrophobicContact CD2-CD1 4.26Å; L110-F143 HydrophobicContact CD2-CE1 3.85Å; L110-F143 HydrophobicContact CD2-CE2 4.43Å; L110-F143 HydrophobicContact CD2-CZ 3.94Å; F143-Y174 WeakPolarHBondContact CE1-OH 3.33Å; F143-Y174 VanDerWaalsContact CZ-OH 3.22Å; F143-Y174 WeakPolarHBondContact CZ-OH 3.32Å; F143-H204 WeakPolarHBondContact CB-NE2 3.31Å; F143-H204 AromaticContact CD2-CD2 3.91Å; F143-H204 AromaticContact CG-CD2 3.65Å; F143-H204 AromaticContact CG-NE2 3.88Å; F143-L596 WeakPolarHBondContact CD2-O 3.32Å; F143-L596 HydrophobicContact CE2-CB 4.25Å; F143-F597 HydrophobicContact CE2-CD2 4.48Å; F143-F597 HydrophobicContact CE2-CE2 4.21Å; F143-F597 HydrophobicContact CE2-CZ 4.39Å
144	R	94.8	Very high	90.1	Very high	18 Å²	18	38.6 Å²	38.6	7%	0.068	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-103.9	160.6	172.4	-70.1	-72.1	-167.1	-83.1	8.1	108.8	H56 R142 Y170 H204	H56-R144 PolarHBondContact NE2-NH2 2.75Å; R142-R144 VanDerWaalsContact CG-NH1 3.29Å; R144-Y170 HydrophobicContact CB-CD1 4.06Å; R144-Y170 HydrophobicContact CB-CD2 3.44Å; R144-Y170 VanDerWaalsContact CB-CD2 3.44Å; R144-Y170 HydrophobicContact CB-CE1 4.46Å; R144-Y170 HydrophobicContact CB-CE2 3.95Å; R144-Y170 HydrophobicContact CB-CG 3.54Å; R144-Y170 HydrophobicContact CG-CD1 3.65Å; R144-Y170 HydrophobicContact CG-CD2 3.95Å; R144-Y170 HydrophobicContact CG-CE1 3.9Å; R144-Y170 HydrophobicContact CG-CE2 4.23Å; R144-Y170 HydrophobicContact CG-CG 3.69Å; R144-H204 PolarHBondContact O-CE1 2.99Å
145	S	95.8	Very high	90.5	Very high	23 Å²	23	35.8 Å²	35.8	16%	0.161	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-46.6	141	-173.4	-49.5	0	0	0	0	113	D163 C168 N222	S145-D163 WeakPolarHBondContact CA-O 3.33Å; S145-D163 VanDerWaalsContact CB-OD1 3.25Å; S145-D163 WeakPolarHBondContact CB-OD1 3.23Å; S145-D163 PolarHBondContact OG-OD1 3.49Å; S145-C168 WeakPolarHBondContact O-CB 3.34Å; S145-N222 PolarHBondContact O-ND2 3.46Å; S145-N222 VanDerWaalsContact O-ND2 3.13Å
146	A	97.2	Very high	90.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	154.9	168.5	0	0	0	0	0	110.2	L154 F161 D163 I164 S165	A146-L154 HydrophobicContact CB-CD1 3.57Å; A146-F161 HydrophobicContact CB-CE1 3.86Å; A146-F161 HydrophobicContact CB-CZ 4.13Å; A146-D163 PolarHBondContact N-O 2.95Å; A146-I164 HydrophobicContact CB-CG1 4.38Å; A146-I164 WeakPolarHBondContact O-CA 3.42Å; A146-S165 PolarHBondContact O-N 3.11Å
147	C	97.9	Very high	90.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	153.1	177.5	-69.4	0	0	0	0	112.4	Q149 S165 C168 Y223 L225	C147-Q149 WeakPolarHBondContact O-CG 3.36Å; C147-Q149 PolarHBondContact O-N 3.1Å; C147-Q149 PolarHBondContact O-NE2 3.37Å; C147-S165 WeakPolarHBondContact CA-O 3.36Å; C147-C168 WeakPolarHBondContact CA-SG 2.95Å; C147-C168 HydrophobicContact CB-CB 3.77Å; C147-C168 WeakPolarHBondContact CB-SG 3.42Å; C147-C168 WeakPolarHBondContact SG-CB 3.46Å; C147-C168 CovalentContact SG-SG 2.03Å; C147-C168 PolarHBondContact SG-SG 3.24Å; C147-Y223 WeakPolarHBondContact CB-O 3.46Å; C147-Y223 PolarHBondContact SG-O 3.36Å; C147-L225 HydrophobicContact CB-CD1 4.39Å
148	M	96.2	Very high	90.7	Very high	12 Å²	12	24.9 Å²	24.9	6%	0.059	11%	0.113	C	C	.	.	S	Bend	trans	-49.9	120.3	-179.1	-166.7	55.1	54.9	0	0	112.3	I164 S165 F228 A397 N401	M148-I164 HydrophobicContact CE-CG2 4.05Å; M148-I164 HydrophobicContact SD-CG2 3.93Å; M148-S165 PolarHBondContact N-O 2.87Å; M148-S165 VanDerWaalsContact N-O 3.17Å; M148-F228 HydrophobicContact CB-CD2 3.82Å; M148-F228 HydrophobicContact CB-CE2 3.75Å; M148-F228 HydrophobicContact CB-CG 4.35Å; M148-F228 HydrophobicContact CB-CZ 4.18Å; M148-F228 HydrophobicContact CG-CD2 3.91Å; M148-F228 HydrophobicContact CG-CE1 4.47Å; M148-F228 HydrophobicContact CG-CE2 3.29Å; M148-F228 HydrophobicContact CG-CZ 3.62Å; M148-A397 HydrophobicContact CE-CB 3.68Å; M148-A397 HydrophobicContact CG-CB 4.22Å; M148-A397 HydrophobicContact SD-CB 4.29Å; M148-N401 HydrophobicContact CG-CB 4.1Å; M148-N401 HydrophobicContact SD-CB 3.99Å
149	Q	94.5	Very high	90.7	Very high	2 Å²	2	27 Å²	27	1%	0.009	13%	0.128	C	C	.	.			trans	-164.4	158.8	-177.7	64.2	-164.8	-86.3	0	0	108.8	C147 H151 L154 I164 V199 Y200 G201 L225 N401	C147-Q149 WeakPolarHBondContact O-CG 3.36Å; C147-Q149 PolarHBondContact O-N 3.1Å; C147-Q149 PolarHBondContact O-NE2 3.37Å; Q149-H151 PolarHBondContact O-N 2.99Å; Q149-L154 VanDerWaalsContact CD-CD1 3.47Å; Q149-L154 HydrophobicContact CG-CD1 4.23Å; Q149-L154 VanDerWaalsContact OE1-CG 3.26Å; Q149-I164 HydrophobicContact CG-CD1 4.15Å; Q149-V199 WeakPolarHBondContact CB-O 3.12Å; Q149-Y200 VanDerWaalsContact OE1-CB 3.22Å; Q149-G201 PolarHBondContact NE2-O 3.47Å; Q149-L225 VanDerWaalsContact NE2-CD1 3.34Å; Q149-N401 VanDerWaalsContact CA-OD1 3.28Å; Q149-N401 WeakPolarHBondContact CA-OD1 3.33Å; Q149-N401 PolarHBondContact O-ND2 2.86Å
150	P	89.6	Confident	90.7	Very high	8 Å²	8	28.9 Å²	28.9	5%	0.052	15%	0.151	C	C	.	.			trans	-63.4	125.4	175.8	-22	32.1	0	0	0	111.5	I152 W153 N401 L405	P150-I152 HydrophobicContact CB-CG2 4.24Å; P150-I152 PolarHBondContact O-N 3.01Å; P150-W153 PolarHBondContact O-N 3.21Å; P150-W153 VanDerWaalsContact O-N 3.13Å; P150-N401 WeakPolarHBondContact CA-ND2 3.47Å; P150-N401 WeakPolarHBondContact CD-OD1 3.47Å; P150-N401 VanDerWaalsContact N-OD1 3.16Å; P150-L405 HydrophobicContact CB-CD1 4.29Å; P150-L405 HydrophobicContact CB-CD2 3.8Å; P150-L405 HydrophobicContact CB-CG 4.29Å; P150-L405 HydrophobicContact CG-CD2 3.61Å; P150-L405 HydrophobicContact CG-CG 4.09Å
151	H	85	Confident	90.6	Very high	111 Å²	111	29.3 Å²	29.3	51%	0.514	15%	0.153	S	C	.	.	H	α-helix	trans	-59.1	-26.4	-172.2	70.1	-84.2	0	0	0	113.8	Q149 W153 L154 S155 I164	Q149-H151 PolarHBondContact O-N 2.99Å; H151-W153 PolarHBondContact O-N 2.83Å; H151-L154 PolarHBondContact O-N 3.2Å; H151-S155 VanDerWaalsContact O-CB 3.24Å; H151-S155 WeakPolarHBondContact O-CB 3.33Å; H151-S155 PolarHBondContact O-N 3.34Å; H151-S155 PolarHBondContact O-OG 2.97Å; H151-I164 HydrophobicContact CB-CD1 3.83Å
152	I	84	Confident	90.5	Very high	51 Å²	51	32.5 Å²	32.5	26%	0.262	18%	0.176	S	C	.	.	H	α-helix	trans	-57.8	-32.4	179.2	-171.1	68.2	0	0	0	112.2	P150 R156	P150-I152 HydrophobicContact CB-CG2 4.24Å; P150-I152 PolarHBondContact O-N 3.01Å; I152-R156 PolarHBondContact O-N 3.43Å
153	W	84.1	Confident	90.5	Very high	13 Å²	13	29.8 Å²	29.8	5%	0.049	17%	0.171	C	C	.	.	H	α-helix	trans	-68	-54.3	-178.9	-54.9	117.5	0	0	0	111.9	P150 H151 S155 R156 Y200 S833	P150-W153 PolarHBondContact O-N 3.21Å; P150-W153 VanDerWaalsContact O-N 3.13Å; H151-W153 PolarHBondContact O-N 2.83Å; W153-S155 VanDerWaalsContact C-N 3.26Å; W153-S155 PolarHBondContact O-N 3.45Å; W153-R156 VanDerWaalsContact CZ3-NH1 3.27Å; W153-R156 WeakPolarHBondContact O-CB 3.21Å; W153-R156 PolarHBondContact O-N 3.16Å; W153-Y200 HydrophobicContact CB-CD2 4Å; W153-Y200 HydrophobicContact CB-CG 3.83Å; W153-Y200 HydrophobicContact CG-CG 4.15Å; W153-S833 WeakPolarHBondContact CH2-O 3.43Å; W153-S833 VanDerWaalsContact CH2-OG 3.32Å; W153-S833 WeakPolarHBondContact CH2-OG 3.34Å; W153-S833 WeakPolarHBondContact CZ2-O 3.27Å; W153-S833 VanDerWaalsContact CZ3-N 3.33Å; W153-S833 WeakPolarHBondContact CZ3-OG 3.4Å
154	L	88.4	Confident	90.5	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-68	-29.2	176.9	-76.3	175.8	0	0	0	112	A146 Q149 H151 R156 F157 I158 F161 M205	A146-L154 HydrophobicContact CB-CD1 3.57Å; Q149-L154 VanDerWaalsContact CD-CD1 3.47Å; Q149-L154 HydrophobicContact CG-CD1 4.23Å; Q149-L154 VanDerWaalsContact OE1-CG 3.26Å; H151-L154 PolarHBondContact O-N 3.2Å; L154-R156 PolarHBondContact O-N 2.99Å; L154-R156 VanDerWaalsContact O-N 3.15Å; L154-F157 PolarHBondContact O-N 3.25Å; L154-I158 PolarHBondContact O-N 3.29Å; L154-F161 HydrophobicContact CB-CB 4.4Å; L154-F161 HydrophobicContact CB-CD1 3.9Å; L154-F161 HydrophobicContact CB-CG 4.33Å; L154-F161 HydrophobicContact CD1-CD1 3.83Å; L154-F161 HydrophobicContact CD1-CE1 3.69Å; L154-M205 HydrophobicContact CD2-SD 3.95Å
155	S	90	Very high	90.5	Very high	22 Å²	22	31.7 Å²	31.7	15%	0.154	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-19.2	175.8	-68.6	0	0	0	0	113.6	H151 W153 I158 P159 F161	H151-S155 VanDerWaalsContact O-CB 3.24Å; H151-S155 WeakPolarHBondContact O-CB 3.33Å; H151-S155 PolarHBondContact O-N 3.34Å; H151-S155 PolarHBondContact O-OG 2.97Å; W153-S155 VanDerWaalsContact C-N 3.26Å; W153-S155 PolarHBondContact O-N 3.45Å; S155-I158 VanDerWaalsContact CA-O 3.26Å; S155-I158 WeakPolarHBondContact CA-O 3.46Å; S155-I158 CarbonylContact O-C 3.56Å; S155-P159 WeakPolarHBondContact O-CA 3.2Å; S155-F161 PolarHBondContact OG-O 3.18Å
156	R	82.4	Confident	90.5	Very high	50 Å²	50	31.6 Å²	31.6	19%	0.189	18%	0.183	C	C	.	.	H	α-helix	trans	-71.2	-38.4	171.6	-69.1	177.2	159	152.1	2.9	112.4	I152 W153 L154 H830 S833	I152-R156 PolarHBondContact O-N 3.43Å; W153-R156 VanDerWaalsContact CZ3-NH1 3.27Å; W153-R156 WeakPolarHBondContact O-CB 3.21Å; W153-R156 PolarHBondContact O-N 3.16Å; L154-R156 PolarHBondContact O-N 2.99Å; L154-R156 VanDerWaalsContact O-N 3.15Å; R156-H830 VanDerWaalsContact NH1-CB 3.31Å; R156-S833 PolarHBondContact NH1-OG 2.63Å; R156-S833 VanDerWaalsContact NH2-CB 3.34Å; R156-S833 PolarHBondContact NH2-OG 2.89Å
157	F	82.9	Confident	90.5	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-80	-52.5	177.1	177.6	-90.3	0	0	0	111.8	L154 M205 F585 P604 R605 C826 I827	L154-F157 PolarHBondContact O-N 3.25Å; F157-M205 HydrophobicContact CD1-CB 4.39Å; F157-M205 HydrophobicContact CD1-CG 3.6Å; F157-M205 HydrophobicContact CD2-CB 4.42Å; F157-M205 HydrophobicContact CD2-CE 3.85Å; F157-M205 HydrophobicContact CD2-CG 4.05Å; F157-M205 HydrophobicContact CE1-CB 4Å; F157-M205 HydrophobicContact CE1-CG 3.69Å; F157-M205 HydrophobicContact CE2-CB 4.11Å; F157-M205 HydrophobicContact CE2-CE 4.44Å; F157-M205 HydrophobicContact CE2-CG 4.19Å; F157-M205 HydrophobicContact CG-CE 4.16Å; F157-M205 HydrophobicContact CG-CG 3.88Å; F157-M205 HydrophobicContact CZ-CB 3.91Å; F157-M205 HydrophobicContact CZ-CG 4.04Å; F157-F585 HydrophobicContact CZ-CE2 4.49Å; F157-P604 HydrophobicContact CE1-CB 3.86Å; F157-P604 HydrophobicContact CE1-CG 3.87Å; F157-P604 HydrophobicContact CZ-CB 3.93Å; F157-P604 HydrophobicContact CZ-CG 4.18Å; F157-R605 PolarHBondContact O-N 3.18Å; F157-C826 WeakPolarHBondContact CD2-O 2.96Å; F157-C826 WeakPolarHBondContact CE2-O 2.84Å; F157-I827 HydrophobicContact CD2-CB 4.36Å; F157-I827 HydrophobicContact CD2-CG1 3.83Å; F157-I827 HydrophobicContact CE2-CG1 3.65Å
158	I	89.7	Confident	90.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.194	C	C	.	.	S	Bend	trans	-114.7	99.3	175.4	-68.4	146.4	0	0	0	108.6	L154 S155 G160 F161 H204 F597 P602 P604	L154-I158 PolarHBondContact O-N 3.29Å; S155-I158 VanDerWaalsContact CA-O 3.26Å; S155-I158 WeakPolarHBondContact CA-O 3.46Å; S155-I158 CarbonylContact O-C 3.56Å; I158-G160 PolarHBondContact O-N 2.89Å; I158-F161 HydrophobicContact CB-CB 3.98Å; I158-F161 HydrophobicContact CB-CD2 4.07Å; I158-F161 HydrophobicContact CB-CG 4.39Å; I158-F161 HydrophobicContact CD1-CD2 3.86Å; I158-F161 HydrophobicContact CD1-CE2 4.19Å; I158-F161 HydrophobicContact CG2-CB 3.94Å; I158-F161 HydrophobicContact CG2-CD2 3.82Å; I158-F161 HydrophobicContact CG2-CG 4.36Å; I158-F161 VanDerWaalsContact O-CB 3.26Å; I158-F161 WeakPolarHBondContact O-CB 3.47Å; I158-F161 PolarHBondContact O-N 3.46Å; I158-H204 HydrophobicContact CD1-CB 4.19Å; I158-F597 HydrophobicContact CD1-CE1 3.76Å; I158-F597 HydrophobicContact CD1-CZ 4.38Å; I158-F597 HydrophobicContact CG1-CE1 4.36Å; I158-P602 HydrophobicContact CG2-CB 3.59Å; I158-P602 HydrophobicContact CG2-CG 3.74Å; I158-P602 WeakPolarHBondContact CG2-O 3.27Å; I158-P604 HydrophobicContact CG1-CB 4.17Å; I158-P604 HydrophobicContact CG1-CG 3.87Å
159	P	90	Very high	90.6	Very high	54 Å²	54	33.2 Å²	33.2	35%	0.351	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	125.2	-179.9	-28.1	36.5	0	0	0	112.8	S155 P602 R605	S155-P159 WeakPolarHBondContact O-CA 3.2Å; P159-P602 VanDerWaalsContact O-CB 3.23Å; P159-P602 WeakPolarHBondContact O-CB 3.28Å; P159-R605 HydrophobicContact CG-CB 4.08Å; P159-R605 HydrophobicContact CG-CG 4.38Å
160	G	89.7	Confident	90.7	Very high	52 Å²	52	33.7 Å²	33.7	54%	0.536	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	17.5	-179.7	0	0	0	0	0	114.9	I158 T162	I158-G160 PolarHBondContact O-N 2.89Å; G160-T162 PolarHBondContact O-N 3.41Å
161	F	90.7	Very high	91.2	Very high	10 Å²	10	33.3 Å²	33.3	4%	0.044	19%	0.191	C	C	.	.			trans	-64.4	124.1	176.6	-167.4	-91.8	0	0	0	112	A146 L154 S155 I158 D163 I164 H204 P602	A146-F161 HydrophobicContact CB-CE1 3.86Å; A146-F161 HydrophobicContact CB-CZ 4.13Å; L154-F161 HydrophobicContact CB-CB 4.4Å; L154-F161 HydrophobicContact CB-CD1 3.9Å; L154-F161 HydrophobicContact CB-CG 4.33Å; L154-F161 HydrophobicContact CD1-CD1 3.83Å; L154-F161 HydrophobicContact CD1-CE1 3.69Å; S155-F161 PolarHBondContact OG-O 3.18Å; I158-F161 HydrophobicContact CB-CB 3.98Å; I158-F161 HydrophobicContact CB-CD2 4.07Å; I158-F161 HydrophobicContact CB-CG 4.39Å; I158-F161 HydrophobicContact CD1-CD2 3.86Å; I158-F161 HydrophobicContact CD1-CE2 4.19Å; I158-F161 HydrophobicContact CG2-CB 3.94Å; I158-F161 HydrophobicContact CG2-CD2 3.82Å; I158-F161 HydrophobicContact CG2-CG 4.36Å; I158-F161 VanDerWaalsContact O-CB 3.26Å; I158-F161 WeakPolarHBondContact O-CB 3.47Å; I158-F161 PolarHBondContact O-N 3.46Å; F161-D163 HydrophobicContact CE1-CB 4.38Å; F161-D163 VanDerWaalsContact CE1-O 3.22Å; F161-D163 WeakPolarHBondContact CE1-O 3.38Å; F161-D163 HydrophobicContact CE2-CB 4.44Å; F161-D163 HydrophobicContact CZ-CB 4Å; F161-D163 WeakPolarHBondContact CZ-O 2.98Å; F161-I164 HydrophobicContact CD1-CD1 4.4Å; F161-I164 HydrophobicContact CD1-CG1 4.14Å; F161-I164 HydrophobicContact CE1-CG1 3.85Å; F161-H204 AromaticContact CZ-CE1 3.86Å; F161-P602 HydrophobicContact CD2-CG 4.49Å
162	T	89.6	Confident	91.8	Very high	115 Å²	115	28.1 Å²	28.1	71%	0.706	17%	0.167	S	C	*	.			trans	-130.7	-6.9	-177.5	49.6	0	0	0	0	113.9	G160 I164	G160-T162 PolarHBondContact O-N 3.41Å; T162-I164 VanDerWaalsContact C-N 3.3Å; T162-I164 PolarHBondContact O-N 2.98Å
163	D	92.9	Very high	92.5	Very high	65 Å²	65	25.7 Å²	25.7	35%	0.348	15%	0.154	S	C	.	.			trans	-78.8	76.4	-177.2	-171.8	16.9	0	0	0	111.8	S145 A146 F161	S145-D163 WeakPolarHBondContact CA-O 3.33Å; S145-D163 VanDerWaalsContact CB-OD1 3.25Å; S145-D163 WeakPolarHBondContact CB-OD1 3.23Å; S145-D163 PolarHBondContact OG-OD1 3.49Å; A146-D163 PolarHBondContact N-O 2.95Å; F161-D163 HydrophobicContact CE1-CB 4.38Å; F161-D163 VanDerWaalsContact CE1-O 3.22Å; F161-D163 WeakPolarHBondContact CE1-O 3.38Å; F161-D163 HydrophobicContact CE2-CB 4.44Å; F161-D163 HydrophobicContact CZ-CB 4Å; F161-D163 WeakPolarHBondContact CZ-O 2.98Å
164	I	94.9	Very high	93.2	Very high	31 Å²	31	25 Å²	25	16%	0.159	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.2	-176.7	-62.8	173	0	0	0	108.9	A146 M148 Q149 H151 F161 T162	A146-I164 HydrophobicContact CB-CG1 4.38Å; A146-I164 WeakPolarHBondContact O-CA 3.42Å; M148-I164 HydrophobicContact CE-CG2 4.05Å; M148-I164 HydrophobicContact SD-CG2 3.93Å; Q149-I164 HydrophobicContact CG-CD1 4.15Å; H151-I164 HydrophobicContact CB-CD1 3.83Å; F161-I164 HydrophobicContact CD1-CD1 4.4Å; F161-I164 HydrophobicContact CD1-CG1 4.14Å; F161-I164 HydrophobicContact CE1-CG1 3.85Å; T162-I164 VanDerWaalsContact C-N 3.3Å; T162-I164 PolarHBondContact O-N 2.98Å
165	S	95.9	Very high	93.6	Very high	38 Å²	38	25.4 Å²	25.4	27%	0.266	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159.2	-177	-176.6	0	0	0	0	111.7	A146 C147 M148 D167 C168	A146-S165 PolarHBondContact O-N 3.11Å; C147-S165 WeakPolarHBondContact CA-O 3.36Å; M148-S165 PolarHBondContact N-O 2.87Å; M148-S165 VanDerWaalsContact N-O 3.17Å; S165-D167 VanDerWaalsContact C-N 3.33Å; S165-D167 PolarHBondContact OG-N 2.93Å; S165-C168 WeakPolarHBondContact O-CB 3.32Å
166	E	96	Very high	93.7	Very high	22 Å²	22	24.9 Å²	24.9	10%	0.103	15%	0.149	C	C	.	.	S	Bend	trans	-71.9	-30.3	163.3	-72.5	-170.5	94.3	0	0	111.9	P118 I119 R123 C168 F228 A397	P118-E166 VanDerWaalsContact CD-O 3.23Å; P118-E166 WeakPolarHBondContact CD-O 3.13Å; P118-E166 WeakPolarHBondContact CG-O 3.36Å; I119-E166 HydrophobicContact CG2-CB 3.64Å; R123-E166 IonicContact CZ-OE1 3.32Å; R123-E166 IonicContact CZ-OE2 2.63Å; R123-E166 IonicContact NE-OE1 3.52Å; R123-E166 PolarHBondContact NE-OE1 2.85Å; R123-E166 IonicContact NE-OE2 3.47Å; R123-E166 IonicContact NH2-OE1 3.29Å; R123-E166 PolarHBondContact NH2-OE1 3.02Å; R123-E166 IonicContact NH2-OE2 3.79Å; R123-E166 PolarHBondContact NH2-OE2 3.28Å; E166-C168 VanDerWaalsContact C-N 3.26Å; E166-C168 PolarHBondContact O-N 2.84Å; E166-F228 HydrophobicContact CG-CD1 4.36Å; E166-F228 HydrophobicContact CG-CE1 4.1Å; E166-F228 WeakPolarHBondContact OE1-CE1 3.37Å; E166-A397 HydrophobicContact CG-CB 3.51Å; E166-A397 WeakPolarHBondContact OE2-CB 3.11Å
167	D	95.8	Very high	94	Very high	45 Å²	45	25.1 Å²	25.1	24%	0.241	15%	0.154	C	C	.	.			trans	-78.1	80.3	170.3	-175.9	14	0	0	0	109.5	P117 I119 S165 Y170	P117-D167 HydrophobicContact CB-CB 3.94Å; P117-D167 WeakPolarHBondContact CB-OD1 3.47Å; P117-D167 HydrophobicContact CG-CB 4.48Å; P117-D167 WeakPolarHBondContact CG-OD1 3.32Å; I119-D167 HydrophobicContact CG2-CB 4.45Å; S165-D167 VanDerWaalsContact C-N 3.33Å; S165-D167 PolarHBondContact OG-N 2.93Å; D167-Y170 VanDerWaalsContact CG-OH 3.29Å; D167-Y170 WeakPolarHBondContact O-CE2 3.31Å; D167-Y170 VanDerWaalsContact OD1-CE2 3.31Å; D167-Y170 WeakPolarHBondContact OD1-CE2 3.23Å; D167-Y170 PolarHBondContact OD1-OH 3.47Å; D167-Y170 PolarHBondContact OD2-OH 2.93Å; D167-Y170 VanDerWaalsContact OD2-OH 3.04Å
168	C	97.6	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.			trans	-131	-2.8	-170.2	66.4	0	0	0	0	114.7	S145 C147 S165 E166 Y170 N222	S145-C168 WeakPolarHBondContact O-CB 3.34Å; C147-C168 WeakPolarHBondContact CA-SG 2.95Å; C147-C168 HydrophobicContact CB-CB 3.77Å; C147-C168 WeakPolarHBondContact CB-SG 3.42Å; C147-C168 WeakPolarHBondContact SG-CB 3.46Å; C147-C168 CovalentContact SG-SG 2.03Å; C147-C168 PolarHBondContact SG-SG 3.24Å; S165-C168 WeakPolarHBondContact O-CB 3.32Å; E166-C168 VanDerWaalsContact C-N 3.26Å; E166-C168 PolarHBondContact O-N 2.84Å; C168-Y170 VanDerWaalsContact C-CD2 3.41Å; C168-Y170 PolarHBondContact O-N 3.17Å; C168-N222 WeakPolarHBondContact O-CB 3.2Å; C168-N222 PolarHBondContact O-ND2 3.45Å
169	L	98.3	Very high	92.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	21%	0.207	C	C	.	.			trans	-80.2	67.2	-172	-58.8	-175.7	0	0	0	112.9	Y114 A115 P118 P127 R224 D246	Y114-L169 VanDerWaalsContact CD1-O 3.26Å; Y114-L169 WeakPolarHBondContact CD1-O 3.5Å; Y114-L169 HydrophobicContact CE1-CB 4.1Å; Y114-L169 WeakPolarHBondContact CE1-O 3.05Å; Y114-L169 HydrophobicContact CE2-CB 4.27Å; Y114-L169 PolarHBondContact N-O 3.39Å; Y114-L169 WeakPolarHBondContact OH-CD2 3.43Å; A115-L169 HydrophobicContact CB-CB 3.77Å; A115-L169 HydrophobicContact CB-CD1 3.6Å; A115-L169 HydrophobicContact CB-CG 4.34Å; P118-L169 HydrophobicContact CB-CD1 4.25Å; P118-L169 HydrophobicContact CG-CD1 3.83Å; P118-L169 HydrophobicContact CG-CG 4.03Å; P127-L169 HydrophobicContact CB-CD1 4.35Å; L169-R224 HydrophobicContact CD2-CG 4.23Å; L169-D246 HydrophobicContact CD2-CB 4.12Å; L169-D246 WeakPolarHBondContact CD2-OD2 3.46Å
170	Y	98.4	Very high	91.1	Very high	12 Å²	12	39 Å²	39	5%	0.047	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.5	-179.2	-59.6	-92.9	0	0	0	111.4	G111 I112 P113 W138 R144 D167 C168 F221 N222	G111-Y170 WeakPolarHBondContact O-CD1 3.45Å; I112-Y170 CarbonylContact O-C 3.41Å; I112-Y170 VanDerWaalsContact O-CA 3.28Å; I112-Y170 WeakPolarHBondContact O-CA 3.03Å; P113-Y170 HydrophobicContact CB-CD1 3.8Å; P113-Y170 HydrophobicContact CB-CE1 3.64Å; P113-Y170 HydrophobicContact CG-CD1 4.49Å; P113-Y170 HydrophobicContact CG-CE1 4.28Å; W138-Y170 HydrophobicContact CH2-CE1 4.2Å; W138-Y170 HydrophobicContact CZ2-CD1 4.47Å; W138-Y170 AromaticContact CZ2-CE1 3.87Å; W138-Y170 HydrophobicContact CZ2-CE1 3.87Å; R144-Y170 HydrophobicContact CB-CD1 4.06Å; R144-Y170 HydrophobicContact CB-CD2 3.44Å; R144-Y170 VanDerWaalsContact CB-CD2 3.44Å; R144-Y170 HydrophobicContact CB-CE1 4.46Å; R144-Y170 HydrophobicContact CB-CE2 3.95Å; R144-Y170 HydrophobicContact CB-CG 3.54Å; R144-Y170 HydrophobicContact CG-CD1 3.65Å; R144-Y170 HydrophobicContact CG-CD2 3.95Å; R144-Y170 HydrophobicContact CG-CE1 3.9Å; R144-Y170 HydrophobicContact CG-CE2 4.23Å; R144-Y170 HydrophobicContact CG-CG 3.69Å; D167-Y170 VanDerWaalsContact CG-OH 3.29Å; D167-Y170 WeakPolarHBondContact O-CE2 3.31Å; D167-Y170 VanDerWaalsContact OD1-CE2 3.31Å; D167-Y170 WeakPolarHBondContact OD1-CE2 3.23Å; D167-Y170 PolarHBondContact OD1-OH 3.47Å; D167-Y170 PolarHBondContact OD2-OH 2.93Å; D167-Y170 VanDerWaalsContact OD2-OH 3.04Å; C168-Y170 VanDerWaalsContact C-CD2 3.41Å; C168-Y170 PolarHBondContact O-N 3.17Å; Y170-F221 WeakPolarHBondContact O-CA 3.46Å; Y170-F221 WeakPolarHBondContact O-CB 3.31Å; Y170-N222 PolarHBondContact O-N 2.82Å
171	L	98.7	Very high	90.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	162.4	172.9	65.1	81.9	0	0	0	111.5	G111 I112 Y114 V173 V219 T220 F221 W253	G111-L171 PolarHBondContact N-O 3.15Å; I112-L171 HydrophobicContact CB-CD1 3.8Å; I112-L171 HydrophobicContact CB-CG 4.23Å; I112-L171 HydrophobicContact CD1-CD1 4.14Å; I112-L171 HydrophobicContact CG1-CD1 4.5Å; I112-L171 HydrophobicContact CG2-CD1 4.12Å; I112-L171 HydrophobicContact CG2-CG 4.42Å; I112-L171 PolarHBondContact N-O 3.25Å; I112-L171 PolarHBondContact O-N 3.22Å; Y114-L171 HydrophobicContact CD1-CB 4.14Å; Y114-L171 HydrophobicContact CD1-CD2 4.07Å; Y114-L171 HydrophobicContact CD1-CG 4.28Å; Y114-L171 HydrophobicContact CG-CD2 4.22Å; L171-V173 HydrophobicContact CD1-CG2 3.63Å; L171-V219 HydrophobicContact CB-CG1 4.26Å; L171-V219 HydrophobicContact CD1-CG1 4.29Å; L171-T220 CarbonylContact C-O 3.45Å; L171-T220 VanDerWaalsContact CA-O 3.31Å; L171-T220 WeakPolarHBondContact CA-O 3.33Å; L171-F221 HydrophobicContact CB-CB 3.49Å; L171-F221 VanDerWaalsContact CB-CB 3.49Å; L171-W253 HydrophobicContact CD1-CE3 4.16Å; L171-W253 HydrophobicContact CD1-CH2 4Å; L171-W253 HydrophobicContact CD1-CZ3 3.73Å; L171-W253 HydrophobicContact CD2-CD2 3.71Å; L171-W253 HydrophobicContact CD2-CE3 3.38Å; L171-W253 HydrophobicContact CD2-CG 4.21Å; L171-W253 HydrophobicContact CD2-CZ3 3.85Å; L171-W253 HydrophobicContact CG-CE3 4.4Å; L171-W253 HydrophobicContact CG-CZ3 4.44Å
172	N	98.8	Very high	89	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.011	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.3	177.4	-44.8	-67.9	0	0	0	108.3	F109 L110 G111 Y174 S203 V219 T220	F109-N172 CarbonylContact O-C 3.5Å; F109-N172 WeakPolarHBondContact O-CA 3.41Å; L110-N172 VanDerWaalsContact CA-OD1 3.31Å; L110-N172 WeakPolarHBondContact CA-OD1 3.38Å; L110-N172 HydrophobicContact CD2-CB 3.87Å; G111-N172 PolarHBondContact N-OD1 3.09Å; N172-Y174 HydrophobicContact CB-CE2 3.81Å; N172-S203 WeakPolarHBondContact ND2-CB 3.33Å; N172-S203 PolarHBondContact ND2-OG 3.46Å; N172-V219 VanDerWaalsContact O-CA 3.25Å; N172-V219 WeakPolarHBondContact O-CA 3.36Å; N172-T220 PolarHBondContact N-O 2.92Å; N172-T220 PolarHBondContact ND2-O 3Å; N172-T220 PolarHBondContact ND2-OG1 3.29Å; N172-T220 PolarHBondContact O-N 3.17Å; N172-T220 VanDerWaalsContact O-N 3.09Å
173	V	98.8	Very high	88.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128	179.4	-174	0	0	0	0	109.2	F109 I112 L171 Y175 V217 V218 V219 W253 I258 F261	F109-V173 HydrophobicContact CB-CB 4.39Å; F109-V173 PolarHBondContact N-O 2.92Å; F109-V173 PolarHBondContact O-N 3.4Å; I112-V173 HydrophobicContact CD1-CG2 4.06Å; L171-V173 HydrophobicContact CD1-CG2 3.63Å; V173-Y175 HydrophobicContact CG1-CD1 4.24Å; V173-V217 HydrophobicContact CG1-CG1 3.71Å; V173-V218 WeakPolarHBondContact CA-O 3.31Å; V173-V219 HydrophobicContact CG2-CG2 4.35Å; V173-W253 HydrophobicContact CG2-CZ3 4.49Å; V173-I258 HydrophobicContact CG1-CD1 4.01Å; V173-I258 HydrophobicContact CG2-CD1 4.4Å; V173-F261 HydrophobicContact CB-CD1 4.33Å; V173-F261 HydrophobicContact CG1-CB 3.81Å; V173-F261 HydrophobicContact CG1-CD1 4.04Å; V173-F261 HydrophobicContact CG1-CG 3.92Å
174	Y	98.3	Very high	87.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.2	175.3	-48.5	-97.8	0	0	0	107.8	N107 V108 L110 F143 N172 L209 V217 V218 T220	N107-Y174 WeakPolarHBondContact O-CA 3.32Å; V108-Y174 HydrophobicContact CB-CD1 4.39Å; V108-Y174 HydrophobicContact CG1-CD1 3.78Å; V108-Y174 HydrophobicContact CG1-CE1 3.67Å; V108-Y174 HydrophobicContact CG2-CD1 4Å; L110-Y174 HydrophobicContact CD2-CE1 3.86Å; L110-Y174 WeakPolarHBondContact CD2-OH 3.44Å; F143-Y174 WeakPolarHBondContact CE1-OH 3.33Å; F143-Y174 VanDerWaalsContact CZ-OH 3.22Å; F143-Y174 WeakPolarHBondContact CZ-OH 3.32Å; N172-Y174 HydrophobicContact CB-CE2 3.81Å; Y174-L209 HydrophobicContact CD1-CD1 3.62Å; Y174-L209 HydrophobicContact CD1-CG 4.21Å; Y174-L209 HydrophobicContact CE1-CD1 3.54Å; Y174-V217 CarbonylContact O-C 3.28Å; Y174-V217 WeakPolarHBondContact O-CA 3.37Å; Y174-V218 HydrophobicContact CD2-CB 4.28Å; Y174-V218 WeakPolarHBondContact CD2-O 3.45Å; Y174-V218 PolarHBondContact N-O 3Å; Y174-V218 PolarHBondContact O-N 3.38Å; Y174-T220 HydrophobicContact CE2-CG2 4.43Å
175	Y	96.1	Very high	86.9	Confident	10 Å²	10	46.1 Å²	46.1	4%	0.039	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.2	178.9	66.5	-80.6	0	0	0	111.7	V70 V106 N107 F109 V173 F261 Q262	V70-Y175 WeakPolarHBondContact CG1-OH 3.33Å; V106-Y175 CarbonylContact C-O 3.15Å; V106-Y175 WeakPolarHBondContact CA-O 3.4Å; V106-Y175 WeakPolarHBondContact CG1-O 3.35Å; N107-Y175 HydrophobicContact CB-CD1 3.79Å; N107-Y175 HydrophobicContact CB-CD2 4.07Å; N107-Y175 HydrophobicContact CB-CE1 3.37Å; N107-Y175 HydrophobicContact CB-CE2 3.69Å; N107-Y175 HydrophobicContact CB-CG 4.12Å; N107-Y175 PolarHBondContact N-O 3.08Å; N107-Y175 WeakPolarHBondContact ND2-CE2 3.09Å; N107-Y175 PolarHBondContact O-N 3.36Å; F109-Y175 AromaticContact CD2-CE1 3.81Å; F109-Y175 HydrophobicContact CD2-CE1 3.81Å; F109-Y175 AromaticContact CE2-CE1 3.61Å; F109-Y175 HydrophobicContact CE2-CE1 3.61Å; V173-Y175 HydrophobicContact CG1-CD1 4.24Å; Y175-F261 HydrophobicContact CD1-CB 4.15Å; Y175-F261 HydrophobicContact CD1-CD1 4.47Å; Y175-F261 HydrophobicContact CE1-CB 4.21Å; Y175-F261 AromaticContact CE1-CD1 3.94Å; Y175-F261 HydrophobicContact CE1-CD1 3.94Å; Y175-Q262 HydrophobicContact CD2-CB 4.32Å; Y175-Q262 HydrophobicContact CD2-CG 4.45Å; Y175-Q262 HydrophobicContact CE2-CG 4.35Å
176	P	92.4	Very high	86.8	Confident	11 Å²	11	49.7 Å²	49.7	7%	0.071	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	145.1	-177	-15.8	29.7	0	0	0	111	Y187 A212 L216	P176-Y187 HydrophobicContact CB-CE1 4.32Å; P176-Y187 HydrophobicContact CB-CE2 4.04Å; P176-Y187 HydrophobicContact CG-CD1 4.02Å; P176-Y187 HydrophobicContact CG-CD2 3.91Å; P176-Y187 HydrophobicContact CG-CE1 3.83Å; P176-Y187 HydrophobicContact CG-CE2 3.68Å; P176-Y187 HydrophobicContact CG-CG 4.05Å; P176-A212 WeakPolarHBondContact CG-O 3.41Å; P176-L216 WeakPolarHBondContact CD-O 3.39Å
177	N	87.9	Confident	86.8	Confident	54 Å²	54	49.5 Å²	49.5	29%	0.289	28%	0.279	S	S	.	.			trans	-110.2	85.8	165.2	-173.8	-3.5	0	0	0	108	S86 L105 N107	S86-N177 PolarHBondContact OG-ND2 2.82Å; S86-N177 VanDerWaalsContact OG-ND2 3.13Å; L105-N177 HydrophobicContact CB-CB 3.71Å; L105-N177 WeakPolarHBondContact O-CB 3.32Å; L105-N177 PolarHBondContact O-N 2.98Å; N107-N177 WeakPolarHBondContact OD1-CB 3.24Å; N107-N177 PolarHBondContact OD1-ND2 2.9Å; N107-N177 VanDerWaalsContact OD1-ND2 3.1Å
178	N	73.9	Confident	86.9	Confident	64 Å²	64	48.1 Å²	48.1	34%	0.342	27%	0.272	S	S	.	.			trans	-113.7	109	-179.6	-173.2	2.2	0	0	0	110.6	L180 D181	N178-L180 PolarHBondContact O-N 3.49Å; N178-L180 WeakPolarHBondContact OD1-CB 3.47Å; N178-L180 PolarHBondContact OD1-N 3.27Å; N178-D181 HydrophobicContact CB-CB 4.29Å; N178-D181 VanDerWaalsContact CB-OD2 3.27Å; N178-D181 WeakPolarHBondContact CB-OD2 3.39Å; N178-D181 PolarHBondContact ND2-OD1 2.95Å; N178-D181 PolarHBondContact ND2-OD2 2.71Å; N178-D181 PolarHBondContact O-N 3.15Å
179	T	64.3	Low	87	Confident	129 Å²	129	48.1 Å²	48.1	79%	0.791	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.6	179.4	55.8	0	0	0	0	113.5
180	L	63.8	Low	87	Confident	157 Å²	157	48.1 Å²	48.1	82%	0.822	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-15.4	178.9	-61.1	174.3	0	0	0	112.8	N178	N178-L180 PolarHBondContact O-N 3.49Å; N178-L180 WeakPolarHBondContact OD1-CB 3.47Å; N178-L180 PolarHBondContact OD1-N 3.27Å
181	D	68.3	Low	87	Confident	59 Å²	59	47.5 Å²	47.5	32%	0.316	27%	0.27	S	S	.	.	S	Bend	trans	-73.8	142.7	-178.4	-76.4	-17.1	0	0	0	110.4	N178 T185 Y187	N178-D181 HydrophobicContact CB-CB 4.29Å; N178-D181 VanDerWaalsContact CB-OD2 3.27Å; N178-D181 WeakPolarHBondContact CB-OD2 3.39Å; N178-D181 PolarHBondContact ND2-OD1 2.95Å; N178-D181 PolarHBondContact ND2-OD2 2.71Å; N178-D181 PolarHBondContact O-N 3.15Å; D181-T185 HydrophobicContact CB-CG2 4.16Å; D181-Y187 PolarHBondContact OD2-OH 3.49Å
182	A	68.4	Low	87	Confident	73 Å²	73	47.6 Å²	47.6	60%	0.603	27%	0.27	S	S	*	.			trans	-56.8	147.3	176.1	0	0	0	0	0	109.9	N184 T185	A182-N184 PolarHBondContact O-N 3.03Å; A182-T185 PolarHBondContact N-OG1 3.46Å; A182-T185 WeakPolarHBondContact O-CB 3.28Å; A182-T185 PolarHBondContact O-N 2.86Å; A182-T185 PolarHBondContact O-OG1 3.45Å
183	S	69.8	Low	87	Confident	117 Å²	117	47.5 Å²	47.5	82%	0.818	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-23.1	-177.3	56.1	0	0	0	0	114.5
184	N	78.5	Confident	87	Confident	137 Å²	137	47.6 Å²	47.6	73%	0.733	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	13.1	-179.5	-68.5	-3.2	0	0	0	114.1	A182 R186	A182-N184 PolarHBondContact O-N 3.03Å; N184-R186 PolarHBondContact O-N 3.25Å
185	T	85.6	Confident	86.9	Confident	37 Å²	37	47.6 Å²	47.6	23%	0.227	27%	0.27	C	S	.	.			trans	-63.3	130.1	178.8	-56.5	0	0	0	0	110.4	D181 A182 Y187	D181-T185 HydrophobicContact CB-CG2 4.16Å; A182-T185 PolarHBondContact N-OG1 3.46Å; A182-T185 WeakPolarHBondContact O-CB 3.28Å; A182-T185 PolarHBondContact O-N 2.86Å; A182-T185 PolarHBondContact O-OG1 3.45Å; T185-Y187 HydrophobicContact CG2-CD1 4.48Å; T185-Y187 HydrophobicContact CG2-CE1 3.97Å; T185-Y187 HydrophobicContact CG2-CE2 4.42Å
186	R	93.3	Very high	86.8	Confident	113 Å²	113	47.1 Å²	47.1	43%	0.426	27%	0.268	S	S	.	.			trans	-120.7	130.5	174.1	-59.8	-62.2	-162.1	-165.3	12.2	109.3	N184 E259 Q262 D264	N184-R186 PolarHBondContact O-N 3.25Å; R186-E259 VanDerWaalsContact CZ-O 3.3Å; R186-E259 PolarHBondContact NH1-O 2.83Å; R186-E259 IonicContact NH2-OE2 3.82Å; R186-Q262 CarbonylContact C-O 3.5Å; R186-Q262 VanDerWaalsContact CA-O 3.3Å; R186-Q262 WeakPolarHBondContact CA-O 3.42Å; R186-D264 HydrophobicContact CB-CB 3.87Å
187	Y	96.4	Very high	86.7	Confident	19 Å²	19	47 Å²	47	8%	0.075	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	143.4	179.9	-54.8	-80.5	0	0	0	111.7	P176 D181 T185 G215 Q262 G263 D264	P176-Y187 HydrophobicContact CB-CE1 4.32Å; P176-Y187 HydrophobicContact CB-CE2 4.04Å; P176-Y187 HydrophobicContact CG-CD1 4.02Å; P176-Y187 HydrophobicContact CG-CD2 3.91Å; P176-Y187 HydrophobicContact CG-CE1 3.83Å; P176-Y187 HydrophobicContact CG-CE2 3.68Å; P176-Y187 HydrophobicContact CG-CG 4.05Å; D181-Y187 PolarHBondContact OD2-OH 3.49Å; T185-Y187 HydrophobicContact CG2-CD1 4.48Å; T185-Y187 HydrophobicContact CG2-CE1 3.97Å; T185-Y187 HydrophobicContact CG2-CE2 4.42Å; Y187-G215 WeakPolarHBondContact CD1-O 3.33Å; Y187-Q262 HydrophobicContact CD2-CB 4.05Å; Y187-Q262 HydrophobicContact CE2-CB 4.17Å; Y187-Q262 PolarHBondContact N-O 2.8Å; Y187-G263 CarbonylContact O-C 3.49Å; Y187-G263 WeakPolarHBondContact O-CA 3.31Å; Y187-D264 PolarHBondContact O-N 3.26Å
188	P	98.2	Very high	87	Confident	16 Å²	16	44.5 Å²	44.5	10%	0.104	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	147	168.2	-27.7	38.4	0	0	0	112.3	L216 V217 K267 V631 K632	P188-L216 HydrophobicContact CB-CD2 4.3Å; P188-L216 WeakPolarHBondContact O-CA 3.26Å; P188-V217 PolarHBondContact O-N 2.88Å; P188-K267 HydrophobicContact CB-CB 4.36Å; P188-K267 HydrophobicContact CG-CD 4.3Å; P188-V631 HydrophobicContact CB-CG1 3.75Å; P188-K632 HydrophobicContact CG-CB 4.47Å; P188-K632 HydrophobicContact CG-CG 3.99Å
189	V	98.9	Very high	87.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.6	-168.9	-174	0	0	0	0	110.6	V191 V217 V219 V254 I258 D264 K267 I268 T269	V189-V191 HydrophobicContact CG1-CG2 4.22Å; V189-V217 CarbonylContact C-O 3.57Å; V189-V217 VanDerWaalsContact CA-O 3.32Å; V189-V217 WeakPolarHBondContact CA-O 3.37Å; V189-V217 HydrophobicContact CB-CB 4.49Å; V189-V217 HydrophobicContact CG1-CB 4.32Å; V189-V217 HydrophobicContact CG1-CG1 4.42Å; V189-V217 HydrophobicContact CG2-CB 4.14Å; V189-V219 HydrophobicContact CG1-CG2 4.14Å; V189-V254 HydrophobicContact CG1-CG1 3.95Å; V189-I258 HydrophobicContact CG1-CG1 3.97Å; V189-I258 HydrophobicContact CG2-CG1 3.96Å; V189-I258 HydrophobicContact CG2-CG2 4.06Å; V189-D264 WeakPolarHBondContact CG2-O 3.42Å; V189-K267 PolarHBondContact N-O 3.47Å; V189-I268 HydrophobicContact CB-CG1 4.08Å; V189-I268 HydrophobicContact CG1-CG1 4.49Å; V189-I268 HydrophobicContact CG2-CG1 4.46Å; V189-T269 PolarHBondContact O-N 3.27Å
190	I	98.8	Very high	89.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.9	163.3	-64.5	175.8	0	0	0	108.5	H192 L211 L216 V217 V219 T269 M271 V631	I190-H192 HydrophobicContact CG2-CB 4.36Å; I190-L211 HydrophobicContact CD1-CD1 4.2Å; I190-L211 HydrophobicContact CD1-CD2 4.31Å; I190-L216 HydrophobicContact CD1-CD1 3.8Å; I190-L216 HydrophobicContact CG1-CD1 4.48Å; I190-V217 PolarHBondContact N-O 2.94Å; I190-V219 PolarHBondContact O-N 3.31Å; I190-T269 WeakPolarHBondContact CA-O 3.47Å; I190-M271 HydrophobicContact CG2-CB 3.86Å; I190-M271 HydrophobicContact CG2-CE 3.77Å; I190-M271 HydrophobicContact CG2-SD 4.12Å; I190-V631 HydrophobicContact CD1-CG2 3.87Å; I190-V631 HydrophobicContact CG1-CB 4.42Å; I190-V631 HydrophobicContact CG1-CG1 3.95Å; I190-V631 HydrophobicContact CG1-CG2 3.68Å
191	V	98.9	Very high	90.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	105.2	165.3	-179.6	0	0	0	0	107.9	V189 V219 F221 I251 V254 I268 T269 L270 M271	V189-V191 HydrophobicContact CG1-CG2 4.22Å; V191-V219 HydrophobicContact CG2-CB 4.35Å; V191-F221 HydrophobicContact CG1-CD1 4.19Å; V191-F221 HydrophobicContact CG1-CE1 3.67Å; V191-I251 HydrophobicContact CG1-CG1 4.08Å; V191-V254 HydrophobicContact CG2-CB 4.14Å; V191-V254 HydrophobicContact CG2-CG1 3.71Å; V191-V254 HydrophobicContact CG2-CG2 4.02Å; V191-I268 HydrophobicContact CG2-CG2 3.83Å; V191-T269 PolarHBondContact N-O 3.05Å; V191-L270 HydrophobicContact CB-CD2 3.98Å; V191-L270 HydrophobicContact CG1-CD2 4.32Å; V191-M271 PolarHBondContact O-N 3.12Å
192	H	98.9	Very high	92.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.6	-176.1	-171.2	53.8	0	0	0	112.2	I190 Y206 V219 T220 F221 M271 F583	I190-H192 HydrophobicContact CG2-CB 4.36Å; H192-Y206 AromaticContact CD2-CD1 3.65Å; H192-Y206 AromaticContact CD2-CD2 3.95Å; H192-Y206 AromaticContact CD2-CG 3.49Å; H192-Y206 VanDerWaalsContact CD2-CG 3.49Å; H192-Y206 AromaticContact NE2-CD1 3.23Å; H192-Y206 WeakPolarHBondContact NE2-CD1 3.46Å; H192-Y206 AromaticContact NE2-CE1 3.33Å; H192-Y206 VanDerWaalsContact NE2-CE1 3.33Å; H192-Y206 WeakPolarHBondContact NE2-CE1 3.38Å; H192-Y206 AromaticContact NE2-CG 3.57Å; H192-Y206 AromaticContact NE2-CZ 3.79Å; H192-V219 PolarHBondContact N-O 3.45Å; H192-T220 HydrophobicContact CB-CG2 4.06Å; H192-F221 WeakPolarHBondContact O-CE1 3.04Å; H192-M271 CarbonylContact C-O 3.51Å; H192-M271 WeakPolarHBondContact CA-O 3.34Å; H192-M271 HydrophobicContact CB-CE 3.99Å; H192-M271 VanDerWaalsContact ND1-CE 3.32Å; H192-M271 WeakPolarHBondContact ND1-CE 3.44Å; H192-M271 PolarHBondContact ND1-O 3.38Å; H192-M271 VanDerWaalsContact ND1-O 3.08Å; H192-F583 AromaticContact CD2-CZ 3.64Å; H192-F583 AromaticContact NE2-CZ 3.73Å
193	I	98.8	Very high	93.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.7	172.7	-46	-176.6	0	0	0	108	F221 Y223 Q247 M271 G272 G276 V280	I193-F221 HydrophobicContact CB-CZ 4.48Å; I193-F221 HydrophobicContact CG1-CE1 4.05Å; I193-F221 HydrophobicContact CG1-CZ 3.89Å; I193-F221 HydrophobicContact CG2-CZ 4.43Å; I193-Y223 HydrophobicContact CG2-CD1 4.21Å; I193-Y223 HydrophobicContact CG2-CE1 3.71Å; I193-Q247 HydrophobicContact CG2-CG 4.23Å; I193-M271 PolarHBondContact N-O 3.34Å; I193-G272 WeakPolarHBondContact O-CA 3.23Å; I193-G276 WeakPolarHBondContact O-CA 3.42Å; I193-V280 HydrophobicContact CD1-CG2 4.04Å; I193-V280 HydrophobicContact CG1-CG2 4.49Å
194	H	98.4	Very high	94.7	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-72.4	150.7	-179.6	66.4	80.4	0	0	0	113.4	G201 Y206 F221 Y223 G276	H194-G201 PolarHBondContact CE1-O 3.31Å; H194-Y206 HydrophobicContact CB-CD2 3.87Å; H194-Y206 HydrophobicContact CB-CE2 3.13Å; H194-F221 PolarHBondContact CD2-O 3.21Å; H194-F221 VanDerWaalsContact CD2-O 3.28Å; H194-Y223 AromaticContact CD2-CE1 3.76Å; H194-Y223 AromaticContact CE1-CE1 3.43Å; H194-Y223 VanDerWaalsContact CE1-CE1 3.43Å; H194-Y223 WeakPolarHBondContact CE1-CE1 3.37Å; H194-Y223 AromaticContact CE1-CZ 3.77Å; H194-Y223 AromaticContact CG-CE1 3.88Å; H194-Y223 AromaticContact ND1-CE1 3.7Å; H194-Y223 AromaticContact NE2-CD1 3.65Å; H194-Y223 AromaticContact NE2-CE1 3.48Å; H194-Y223 WeakPolarHBondContact NE2-CE1 3.29Å; H194-Y223 PolarHBondContact O-OH 3.05Å; H194-G276 WeakPolarHBondContact O-CA 3.44Å
195	G	96.2	Very high	95.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.059	C	C	.	.			trans	-77.3	-158.4	172	0	0	0	0	0	113.8	Y200 Y206 E273	G195-Y200 VanDerWaalsContact O-O 3.13Å; G195-Y206 PolarHBondContact N-OH 2.76Å; G195-E273 WeakPolarHBondContact CA-O 3.42Å; G195-E273 PolarHBondContact N-O 3.44Å
196	G	92.8	Very high	95.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	107.5	37.5	179.4	0	0	0	0	0	114.8	Y198 V199 Y200	G196-Y198 PolarHBondContact O-N 3.46Å; G196-V199 PolarHBondContact O-N 3.1Å; G196-Y200 VanDerWaalsContact C-CE1 3.46Å; G196-Y200 CarbonylContact C-O 3.52Å; G196-Y200 VanDerWaalsContact CA-O 3.3Å; G196-Y200 WeakPolarHBondContact CA-O 3.36Å; G196-Y200 WeakPolarHBondContact O-CD1 3.24Å; G196-Y200 WeakPolarHBondContact O-CE1 3.24Å; G196-Y200 PolarHBondContact O-N 2.93Å
197	S	91.7	Very high	96	Very high	10 Å²	10	5.1 Å²	5.1	7%	0.07	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	26.4	173.8	-50.2	0	0	0	0	114.7	V199	S197-V199 PolarHBondContact O-N 3.33Å; S197-V199 VanDerWaalsContact O-N 3.15Å
198	Y	94.4	Very high	95.9	Very high	1 Å²	1	4.2 Å²	4.2	0%	0.004	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	3.1	-173	-56.6	-72.7	0	0	0	116.7	G196 Y223 L225 G226 F230 A275 A278 S279 W309 W418 P420	G196-Y198 PolarHBondContact O-N 3.46Å; Y198-Y223 HydrophobicContact CD1-CE2 4.42Å; Y198-L225 CarbonylContact O-C 3.5Å; Y198-L225 WeakPolarHBondContact O-CA 2.84Å; Y198-L225 WeakPolarHBondContact O-CD2 3.26Å; Y198-G226 PolarHBondContact O-N 3.34Å; Y198-F230 HydrophobicContact CD1-CE1 4.16Å; Y198-F230 AromaticContact CD1-CE2 3.84Å; Y198-F230 HydrophobicContact CD1-CE2 3.84Å; Y198-F230 AromaticContact CD1-CZ 3.46Å; Y198-F230 HydrophobicContact CD1-CZ 3.46Å; Y198-F230 VanDerWaalsContact CD1-CZ 3.46Å; Y198-F230 HydrophobicContact CE1-CZ 4.17Å; Y198-F230 HydrophobicContact CG-CE2 4.09Å; Y198-F230 HydrophobicContact CG-CZ 4.08Å; Y198-A275 HydrophobicContact CD1-CB 4.03Å; Y198-A275 HydrophobicContact CD2-CB 3.86Å; Y198-A275 HydrophobicContact CE1-CB 4.02Å; Y198-A275 HydrophobicContact CE2-CB 3.84Å; Y198-A275 HydrophobicContact CG-CB 3.97Å; Y198-A275 PolarHBondContact OH-O 2.9Å; Y198-A278 VanDerWaalsContact OH-CB 3.29Å; Y198-A278 WeakPolarHBondContact OH-CB 3.38Å; Y198-S279 VanDerWaalsContact CE1-OG 3.32Å; Y198-S279 WeakPolarHBondContact CE1-OG 3.38Å; Y198-S279 PolarHBondContact OH-N 2.86Å; Y198-W309 HydrophobicContact CE2-CE3 4.48Å; Y198-W309 HydrophobicContact CE2-CZ3 4.27Å; Y198-W418 WeakPolarHBondContact CB-O 3.4Å; Y198-P420 HydrophobicContact CD1-CG 4.28Å; Y198-P420 HydrophobicContact CD2-CG 4.45Å; Y198-P420 HydrophobicContact CE1-CG 3.77Å; Y198-P420 VanDerWaalsContact CE2-CD 3.41Å; Y198-P420 HydrophobicContact CE2-CG 3.98Å
199	V	92.6	Very high	95.7	Very high	35 Å²	35	3.4 Å²	3.4	21%	0.212	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-13.1	-176.7	-57.6	0	0	0	0	113.9	Q149 G196 S197 W418	Q149-V199 WeakPolarHBondContact CB-O 3.12Å; G196-V199 PolarHBondContact O-N 3.1Å; S197-V199 PolarHBondContact O-N 3.33Å; S197-V199 VanDerWaalsContact O-N 3.15Å; V199-W418 HydrophobicContact CG1-CB 3.91Å; V199-W418 HydrophobicContact CG1-CG 4.49Å
200	Y	93.5	Very high	95.5	Very high	8 Å²	8	3.4 Å²	3.4	3%	0.031	2%	0.019	C	C	.	.	S	Bend	trans	-147.9	176.6	173.5	71.3	-81.4	0	0	0	110.8	Q149 W153 G195 G196 Y829	Q149-Y200 VanDerWaalsContact OE1-CB 3.22Å; W153-Y200 HydrophobicContact CB-CD2 4Å; W153-Y200 HydrophobicContact CB-CG 3.83Å; W153-Y200 HydrophobicContact CG-CG 4.15Å; G195-Y200 VanDerWaalsContact O-O 3.13Å; G196-Y200 VanDerWaalsContact C-CE1 3.46Å; G196-Y200 CarbonylContact C-O 3.52Å; G196-Y200 VanDerWaalsContact CA-O 3.3Å; G196-Y200 WeakPolarHBondContact CA-O 3.36Å; G196-Y200 WeakPolarHBondContact O-CD1 3.24Å; G196-Y200 WeakPolarHBondContact O-CE1 3.24Å; G196-Y200 PolarHBondContact O-N 2.93Å; Y200-Y829 AromaticContact CE2-CD1 3.73Å; Y200-Y829 HydrophobicContact CE2-CD1 3.73Å; Y200-Y829 HydrophobicContact CE2-CE1 4.18Å; Y200-Y829 AromaticContact CZ-CD1 3.89Å; Y200-Y829 WeakPolarHBondContact OH-CA 3.49Å; Y200-Y829 VanDerWaalsContact OH-CD1 3.24Å; Y200-Y829 WeakPolarHBondContact OH-CD1 3.47Å
201	G	95.5	Very high	95.3	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.			trans	116.7	162.9	178.4	0	0	0	0	0	113.1	Q149 H194 L225	Q149-G201 PolarHBondContact NE2-O 3.47Å; H194-G201 PolarHBondContact CE1-O 3.31Å; G201-L225 WeakPolarHBondContact O-CD1 3.43Å
202	S	97.1	Very high	95.1	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.			trans	-164.4	155.7	176.8	-177.2	0	0	0	0	112.7	H204 M205 Y206 N222	S202-H204 PolarHBondContact O-N 3.4Å; S202-H204 VanDerWaalsContact O-N 3.1Å; S202-H204 PolarHBondContact OG-N 3.12Å; S202-H204 PolarHBondContact OG-ND1 2.59Å; S202-M205 PolarHBondContact O-N 3.32Å; S202-M205 VanDerWaalsContact O-N 3.13Å; S202-Y206 WeakPolarHBondContact O-CD2 3.48Å; S202-Y206 WeakPolarHBondContact O-CE2 3.26Å; S202-N222 WeakPolarHBondContact CA-OD1 3.28Å; S202-N222 PolarHBondContact OG-OD1 2.94Å
203	S	96.8	Very high	94.7	Very high	2 Å²	2	3.6 Å²	3.6	1%	0.014	2%	0.021	C	C	.	.	G	3₁₀ helix	trans	-55.7	-22.1	169.9	67.8	0	0	0	0	114.6	N172 M205 Y206 N222	N172-S203 WeakPolarHBondContact ND2-CB 3.33Å; N172-S203 PolarHBondContact ND2-OG 3.46Å; S203-M205 PolarHBondContact O-N 3.07Å; S203-Y206 PolarHBondContact O-N 3.23Å; S203-Y206 VanDerWaalsContact O-N 3.15Å; S203-N222 PolarHBondContact N-OD1 2.91Å; S203-N222 PolarHBondContact OG-OD1 3.17Å
204	H	94.6	Very high	94.3	Very high	8 Å²	8	4 Å²	4	4%	0.037	2%	0.022	C	C	.	.	G	3₁₀ helix	trans	-56.6	-28.6	175.2	-69	87.8	0	0	0	112.9	F143 R144 I158 F161 S202 Y206 F597	F143-H204 WeakPolarHBondContact CB-NE2 3.31Å; F143-H204 AromaticContact CD2-CD2 3.91Å; F143-H204 AromaticContact CG-CD2 3.65Å; F143-H204 AromaticContact CG-NE2 3.88Å; R144-H204 PolarHBondContact O-CE1 2.99Å; I158-H204 HydrophobicContact CD1-CB 4.19Å; F161-H204 AromaticContact CZ-CE1 3.86Å; S202-H204 PolarHBondContact O-N 3.4Å; S202-H204 VanDerWaalsContact O-N 3.1Å; S202-H204 PolarHBondContact OG-N 3.12Å; S202-H204 PolarHBondContact OG-ND1 2.59Å; H204-Y206 PolarHBondContact O-N 3.16Å; H204-F597 HydrophobicContact CB-CE1 4.32Å; H204-F597 HydrophobicContact CB-CZ 4.45Å; H204-F597 WeakPolarHBondContact O-CZ 3.49Å
205	M	93.6	Very high	93.9	Very high	4 Å²	4	4.6 Å²	4.6	2%	0.02	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-76.8	-9.4	-176.6	-57.4	167.3	63.3	0	0	112.9	L154 F157 S202 S203 P207 I827 Y829	L154-M205 HydrophobicContact CD2-SD 3.95Å; F157-M205 HydrophobicContact CD1-CB 4.39Å; F157-M205 HydrophobicContact CD1-CG 3.6Å; F157-M205 HydrophobicContact CD2-CB 4.42Å; F157-M205 HydrophobicContact CD2-CE 3.85Å; F157-M205 HydrophobicContact CD2-CG 4.05Å; F157-M205 HydrophobicContact CE1-CB 4Å; F157-M205 HydrophobicContact CE1-CG 3.69Å; F157-M205 HydrophobicContact CE2-CB 4.11Å; F157-M205 HydrophobicContact CE2-CE 4.44Å; F157-M205 HydrophobicContact CE2-CG 4.19Å; F157-M205 HydrophobicContact CG-CE 4.16Å; F157-M205 HydrophobicContact CG-CG 3.88Å; F157-M205 HydrophobicContact CZ-CB 3.91Å; F157-M205 HydrophobicContact CZ-CG 4.04Å; S202-M205 PolarHBondContact O-N 3.32Å; S202-M205 VanDerWaalsContact O-N 3.13Å; S203-M205 PolarHBondContact O-N 3.07Å; M205-P207 VanDerWaalsContact C-CD 3.46Å; M205-P207 WeakPolarHBondContact O-CD 3.46Å; M205-I827 HydrophobicContact CE-CG2 3.84Å; M205-Y829 HydrophobicContact CE-CE1 3.78Å
206	Y	95.4	Very high	93.9	Very high	1 Å²	1	4.6 Å²	4.6	0%	0.004	3%	0.029	C	C	.	.			trans	-130.9	63.7	-167.6	-50.2	-78.8	0	0	0	111.8	H192 H194 G195 S202 S203 H204 G208 T220 L579 F583 Y829	H192-Y206 AromaticContact CD2-CD1 3.65Å; H192-Y206 AromaticContact CD2-CD2 3.95Å; H192-Y206 AromaticContact CD2-CG 3.49Å; H192-Y206 VanDerWaalsContact CD2-CG 3.49Å; H192-Y206 AromaticContact NE2-CD1 3.23Å; H192-Y206 WeakPolarHBondContact NE2-CD1 3.46Å; H192-Y206 AromaticContact NE2-CE1 3.33Å; H192-Y206 VanDerWaalsContact NE2-CE1 3.33Å; H192-Y206 WeakPolarHBondContact NE2-CE1 3.38Å; H192-Y206 AromaticContact NE2-CG 3.57Å; H192-Y206 AromaticContact NE2-CZ 3.79Å; H194-Y206 HydrophobicContact CB-CD2 3.87Å; H194-Y206 HydrophobicContact CB-CE2 3.13Å; G195-Y206 PolarHBondContact N-OH 2.76Å; S202-Y206 WeakPolarHBondContact O-CD2 3.48Å; S202-Y206 WeakPolarHBondContact O-CE2 3.26Å; S203-Y206 PolarHBondContact O-N 3.23Å; S203-Y206 VanDerWaalsContact O-N 3.15Å; H204-Y206 PolarHBondContact O-N 3.16Å; Y206-G208 PolarHBondContact O-N 3.48Å; Y206-G208 VanDerWaalsContact O-N 3.16Å; Y206-T220 VanDerWaalsContact O-CG2 3.25Å; Y206-T220 WeakPolarHBondContact O-CG2 3.29Å; Y206-L579 HydrophobicContact CE1-CD1 4.25Å; Y206-F583 HydrophobicContact CD1-CD2 4.01Å; Y206-F583 HydrophobicContact CD1-CE1 4.3Å; Y206-F583 AromaticContact CD1-CE2 3.45Å; Y206-F583 HydrophobicContact CD1-CE2 3.45Å; Y206-F583 VanDerWaalsContact CD1-CE2 3.45Å; Y206-F583 AromaticContact CD1-CZ 3.61Å; Y206-F583 HydrophobicContact CD1-CZ 3.61Å; Y206-F583 HydrophobicContact CE1-CE2 4.25Å; Y206-F583 HydrophobicContact CG-CE1 4.43Å; Y206-F583 HydrophobicContact CG-CE2 4.33Å; Y206-F583 HydrophobicContact CG-CZ 4.07Å; Y206-Y829 PolarHBondContact OH-OH 3.42Å
207	P	93.6	Very high	94.1	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.029	C	C	.	.			trans	-64.8	114	174.9	27.6	-34.3	0	0	0	110.6	M205 L209 F585 M588 W593 L596	M205-P207 VanDerWaalsContact C-CD 3.46Å; M205-P207 WeakPolarHBondContact O-CD 3.46Å; P207-L209 HydrophobicContact CB-CD1 4.02Å; P207-L209 PolarHBondContact O-N 3.49Å; P207-L209 VanDerWaalsContact O-N 3.1Å; P207-F585 HydrophobicContact CG-CD1 4.48Å; P207-F585 HydrophobicContact CG-CE1 3.67Å; P207-F585 HydrophobicContact CG-CZ 4.27Å; P207-M588 HydrophobicContact CB-CE 4.36Å; P207-M588 HydrophobicContact CG-CE 4.14Å; P207-M588 HydrophobicContact CG-SD 4.18Å; P207-W593 HydrophobicContact CG-CH2 3.93Å; P207-W593 HydrophobicContact CG-CZ3 3.94Å; P207-L596 HydrophobicContact CB-CD1 3.88Å
208	G	95.7	Very high	94.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	11.7	-170.2	0	0	0	0	0	116.5	Y206 A210 A212	Y206-G208 PolarHBondContact O-N 3.48Å; Y206-G208 VanDerWaalsContact O-N 3.16Å; G208-A210 PolarHBondContact O-N 2.96Å; G208-A212 VanDerWaalsContact O-CB 3.24Å; G208-A212 WeakPolarHBondContact O-CB 3.2Å; G208-A212 PolarHBondContact O-N 3.23Å
209	L	94.2	Very high	94.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.8	-45.4	-167.3	-75.1	75.2	0	0	0	112.5	T87 I89 Y174 P207 A212 S213 M588 T592 L596	T87-L209 HydrophobicContact CG2-CD2 3.63Å; I89-L209 HydrophobicContact CD1-CB 3.72Å; Y174-L209 HydrophobicContact CD1-CD1 3.62Å; Y174-L209 HydrophobicContact CD1-CG 4.21Å; Y174-L209 HydrophobicContact CE1-CD1 3.54Å; P207-L209 HydrophobicContact CB-CD1 4.02Å; P207-L209 PolarHBondContact O-N 3.49Å; P207-L209 VanDerWaalsContact O-N 3.1Å; L209-A212 PolarHBondContact O-N 3.45Å; L209-S213 WeakPolarHBondContact O-CB 3.37Å; L209-S213 PolarHBondContact O-N 3.5Å; L209-M588 HydrophobicContact CB-CE 4.15Å; L209-T592 HydrophobicContact CD2-CG2 3.95Å; L209-L596 HydrophobicContact CD1-CD1 3.54Å; L209-L596 HydrophobicContact CD1-CD2 3.76Å; L209-L596 HydrophobicContact CD1-CG 4.27Å; L209-L596 HydrophobicContact CD2-CD1 4.2Å; L209-L596 HydrophobicContact CD2-CD2 4.35Å
210	A	93	Very high	95	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-67.7	-44.8	-175.7	0	0	0	0	0	111.8	I89 G208 S213 K214 F583 L624	I89-A210 HydrophobicContact CD1-CB 3.86Å; G208-A210 PolarHBondContact O-N 2.96Å; A210-S213 WeakPolarHBondContact O-CB 3.27Å; A210-S213 PolarHBondContact O-N 3.27Å; A210-S213 PolarHBondContact O-OG 3.38Å; A210-K214 PolarHBondContact O-N 2.89Å; A210-F583 WeakPolarHBondContact CB-O 3.41Å; A210-L624 HydrophobicContact CB-CD1 4.01Å; A210-L624 HydrophobicContact CB-CD2 3.87Å
211	L	94.7	Very high	95.2	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-61.6	-43.1	172.6	-77.4	168.7	0	0	0	111.4	I190 S213 K214 L216 V218 M271 L582 F583 L624 W627	I190-L211 HydrophobicContact CD1-CD1 4.2Å; I190-L211 HydrophobicContact CD1-CD2 4.31Å; L211-S213 VanDerWaalsContact C-N 3.28Å; L211-S213 PolarHBondContact O-N 3.33Å; L211-K214 WeakPolarHBondContact O-CB 3.47Å; L211-K214 PolarHBondContact O-N 2.92Å; L211-L216 HydrophobicContact CD2-CD1 4.38Å; L211-V218 HydrophobicContact CB-CG2 3.57Å; L211-M271 HydrophobicContact CD1-CE 4.28Å; L211-L582 HydrophobicContact CD2-CD1 4.32Å; L211-F583 HydrophobicContact CD1-CD1 4.19Å; L211-F583 HydrophobicContact CD1-CE1 4.03Å; L211-L624 HydrophobicContact CB-CD2 4.49Å; L211-L624 HydrophobicContact CD2-CD2 3.71Å; L211-L624 HydrophobicContact CG-CD2 3.8Å; L211-W627 HydrophobicContact CD2-CB 4.39Å
212	A	94.8	Very high	95.4	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-61.7	-38.8	175.9	0	0	0	0	0	111.7	V106 P176 G208 L209 K214 G215 L216 V218	V106-A212 HydrophobicContact CG1-CB 3.8Å; V106-A212 HydrophobicContact CG2-CB 4.49Å; P176-A212 WeakPolarHBondContact CG-O 3.41Å; G208-A212 VanDerWaalsContact O-CB 3.24Å; G208-A212 WeakPolarHBondContact O-CB 3.2Å; G208-A212 PolarHBondContact O-N 3.23Å; L209-A212 PolarHBondContact O-N 3.45Å; A212-K214 PolarHBondContact O-N 2.77Å; A212-G215 PolarHBondContact O-N 3.08Å; A212-L216 VanDerWaalsContact CA-O 3.26Å; A212-L216 WeakPolarHBondContact CA-O 3.42Å; A212-L216 PolarHBondContact O-N 2.96Å; A212-V218 HydrophobicContact CB-CG2 4.2Å
213	S	91	Very high	95.4	Very high	5 Å²	5	2.2 Å²	2.2	4%	0.035	2%	0.015	C	C	.	.	H	α-helix	trans	-61	-17.5	176.7	87	0	0	0	0	113.7	Y91 R104 L209 A210 L211 G215	Y91-S213 WeakPolarHBondContact CD1-OG 3.42Å; R104-S213 VanDerWaalsContact CD-O 3.31Å; R104-S213 WeakPolarHBondContact CD-O 3.24Å; R104-S213 PolarHBondContact NH1-O 3.33Å; L209-S213 WeakPolarHBondContact O-CB 3.37Å; L209-S213 PolarHBondContact O-N 3.5Å; A210-S213 WeakPolarHBondContact O-CB 3.27Å; A210-S213 PolarHBondContact O-N 3.27Å; A210-S213 PolarHBondContact O-OG 3.38Å; L211-S213 VanDerWaalsContact C-N 3.28Å; L211-S213 PolarHBondContact O-N 3.33Å; S213-G215 PolarHBondContact O-N 2.82Å
214	K	89.8	Confident	95.5	Very high	8 Å²	8	2.5 Å²	2.5	4%	0.035	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	6.5	172.3	-68.1	-67.2	-160.6	177.7	0	113.6	Y91 H93 A210 L211 A212 L624 D625 A628 K632	Y91-K214 HydrophobicContact CE1-CD 3.73Å; Y91-K214 WeakPolarHBondContact OH-CE 3.44Å; Y91-K214 PolarHBondContact OH-NZ 2.96Å; H93-K214 PolarHBondContact CE1-NZ 2.93Å; A210-K214 PolarHBondContact O-N 2.89Å; L211-K214 WeakPolarHBondContact O-CB 3.47Å; L211-K214 PolarHBondContact O-N 2.92Å; A212-K214 PolarHBondContact O-N 2.77Å; K214-L624 HydrophobicContact CG-CB 4.33Å; K214-D625 WeakPolarHBondContact CE-OD1 3.18Å; K214-D625 IonicContact NZ-OD1 3.68Å; K214-D625 PolarHBondContact NZ-OD1 3.25Å; K214-D625 IonicContact NZ-OD2 3.64Å; K214-A628 HydrophobicContact CB-CB 3.65Å; K214-A628 HydrophobicContact CG-CB 4.09Å; K214-K632 VanDerWaalsContact O-CE 3.25Å; K214-K632 WeakPolarHBondContact O-CE 3.31Å; K214-K632 PolarHBondContact O-NZ 3.15Å
215	G	90.9	Very high	95.6	Very high	15 Å²	15	2.1 Å²	2.1	16%	0.155	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	43.4	-179.1	0	0	0	0	0	112.2	Y187 A212 S213	Y187-G215 WeakPolarHBondContact CD1-O 3.33Å; A212-G215 PolarHBondContact O-N 3.08Å; S213-G215 PolarHBondContact O-N 2.82Å
216	L	95.4	Very high	95.7	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	2%	0.015	C	C	.	.			trans	-128.6	151.7	178.8	-52.9	176.6	0	0	0	109.2	P176 P188 I190 L211 A212 V218 A628 V631 K632	P176-L216 WeakPolarHBondContact CD-O 3.39Å; P188-L216 HydrophobicContact CB-CD2 4.3Å; P188-L216 WeakPolarHBondContact O-CA 3.26Å; I190-L216 HydrophobicContact CD1-CD1 3.8Å; I190-L216 HydrophobicContact CG1-CD1 4.48Å; L211-L216 HydrophobicContact CD2-CD1 4.38Å; A212-L216 VanDerWaalsContact CA-O 3.26Å; A212-L216 WeakPolarHBondContact CA-O 3.42Å; A212-L216 PolarHBondContact O-N 2.96Å; L216-V218 HydrophobicContact CB-CG2 4.5Å; L216-A628 HydrophobicContact CD1-CB 3.87Å; L216-A628 HydrophobicContact CG-CB 4.38Å; L216-V631 HydrophobicContact CD2-CB 4.23Å; L216-V631 HydrophobicContact CD2-CG1 3.92Å; L216-K632 HydrophobicContact CD2-CD 4.45Å; L216-K632 HydrophobicContact CD2-CG 3.94Å
217	V	98.1	Very high	95.6	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.6	158.5	-176.2	0	0	0	0	108.3	V173 Y174 P188 V189 I190 V219 I258 G263	V173-V217 HydrophobicContact CG1-CG1 3.71Å; Y174-V217 CarbonylContact O-C 3.28Å; Y174-V217 WeakPolarHBondContact O-CA 3.37Å; P188-V217 PolarHBondContact O-N 2.88Å; V189-V217 CarbonylContact C-O 3.57Å; V189-V217 VanDerWaalsContact CA-O 3.32Å; V189-V217 WeakPolarHBondContact CA-O 3.37Å; V189-V217 HydrophobicContact CB-CB 4.49Å; V189-V217 HydrophobicContact CG1-CB 4.32Å; V189-V217 HydrophobicContact CG1-CG1 4.42Å; V189-V217 HydrophobicContact CG2-CB 4.14Å; I190-V217 PolarHBondContact N-O 2.94Å; V217-V219 HydrophobicContact CG1-CG2 4.37Å; V217-I258 HydrophobicContact CG1-CD1 3.72Å; V217-I258 HydrophobicContact CG1-CG1 3.96Å; V217-G263 VanDerWaalsContact CG2-CA 3.49Å
218	V	98.8	Very high	95.8	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.4	176.7	-173.5	0	0	0	0	108.3	V173 Y174 L211 A212 L216 T220	V173-V218 WeakPolarHBondContact CA-O 3.31Å; Y174-V218 HydrophobicContact CD2-CB 4.28Å; Y174-V218 WeakPolarHBondContact CD2-O 3.45Å; Y174-V218 PolarHBondContact N-O 3Å; Y174-V218 PolarHBondContact O-N 3.38Å; L211-V218 HydrophobicContact CB-CG2 3.57Å; A212-V218 HydrophobicContact CB-CG2 4.2Å; L216-V218 HydrophobicContact CB-CG2 4.5Å; V218-T220 HydrophobicContact CG1-CG2 4.21Å
219	V	98.9	Very high	95.8	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.3	174.6	-175.2	0	0	0	0	108.7	L171 N172 V173 V189 I190 V191 H192 V217 V254 I258	L171-V219 HydrophobicContact CB-CG1 4.26Å; L171-V219 HydrophobicContact CD1-CG1 4.29Å; N172-V219 VanDerWaalsContact O-CA 3.25Å; N172-V219 WeakPolarHBondContact O-CA 3.36Å; V173-V219 HydrophobicContact CG2-CG2 4.35Å; V189-V219 HydrophobicContact CG1-CG2 4.14Å; I190-V219 PolarHBondContact O-N 3.31Å; V191-V219 HydrophobicContact CG2-CB 4.35Å; H192-V219 PolarHBondContact N-O 3.45Å; V217-V219 HydrophobicContact CG1-CG2 4.37Å; V219-V254 HydrophobicContact CB-CG2 4.23Å; V219-V254 HydrophobicContact CG1-CG2 3.77Å; V219-V254 HydrophobicContact CG2-CG1 4.35Å; V219-V254 HydrophobicContact CG2-CG2 4.06Å; V219-I258 HydrophobicContact CG2-CD1 3.61Å
220	T	98.8	Very high	95.8	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.006	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.1	171.4	69.3	0	0	0	0	109.2	L171 N172 Y174 H192 Y206 V218	L171-T220 CarbonylContact C-O 3.45Å; L171-T220 VanDerWaalsContact CA-O 3.31Å; L171-T220 WeakPolarHBondContact CA-O 3.33Å; N172-T220 PolarHBondContact N-O 2.92Å; N172-T220 PolarHBondContact ND2-O 3Å; N172-T220 PolarHBondContact ND2-OG1 3.29Å; N172-T220 PolarHBondContact O-N 3.17Å; N172-T220 VanDerWaalsContact O-N 3.09Å; Y174-T220 HydrophobicContact CE2-CG2 4.43Å; H192-T220 HydrophobicContact CB-CG2 4.06Å; Y206-T220 VanDerWaalsContact O-CG2 3.25Å; Y206-T220 WeakPolarHBondContact O-CG2 3.29Å; V218-T220 HydrophobicContact CG1-CG2 4.21Å
221	F	98.8	Very high	95.8	Very high	1 Å²	1	2.6 Å²	2.6	0%	0.004	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	160	-173.8	67.4	-83.9	0	0	0	112	Y114 Y170 L171 V191 H192 I193 H194 Y223 Q247 A250	Y114-F221 HydrophobicContact CE1-CB 4.27Å; Y114-F221 HydrophobicContact CE1-CD2 4.26Å; Y170-F221 WeakPolarHBondContact O-CA 3.46Å; Y170-F221 WeakPolarHBondContact O-CB 3.31Å; L171-F221 HydrophobicContact CB-CB 3.49Å; L171-F221 VanDerWaalsContact CB-CB 3.49Å; V191-F221 HydrophobicContact CG1-CD1 4.19Å; V191-F221 HydrophobicContact CG1-CE1 3.67Å; H192-F221 WeakPolarHBondContact O-CE1 3.04Å; I193-F221 HydrophobicContact CB-CZ 4.48Å; I193-F221 HydrophobicContact CG1-CE1 4.05Å; I193-F221 HydrophobicContact CG1-CZ 3.89Å; I193-F221 HydrophobicContact CG2-CZ 4.43Å; H194-F221 PolarHBondContact CD2-O 3.21Å; H194-F221 VanDerWaalsContact CD2-O 3.28Å; F221-Y223 HydrophobicContact CE2-CD1 4.31Å; F221-Q247 HydrophobicContact CE2-CB 4.1Å; F221-Q247 HydrophobicContact CE2-CG 3.81Å; F221-Q247 HydrophobicContact CZ-CB 4.12Å; F221-Q247 HydrophobicContact CZ-CG 4.01Å; F221-A250 HydrophobicContact CD1-CB 4.29Å; F221-A250 HydrophobicContact CD2-CB 3.6Å; F221-A250 HydrophobicContact CE1-CB 4.37Å; F221-A250 HydrophobicContact CE2-CB 3.7Å; F221-A250 HydrophobicContact CG-CB 3.91Å; F221-A250 HydrophobicContact CZ-CB 4.08Å
222	N	98.7	Very high	95.5	Very high	1 Å²	1	3 Å²	3	1%	0.005	2%	0.02	C	C	.	.			trans	-96.5	146.9	173.9	-69	-32.2	0	0	0	110.3	Y114 S145 C168 Y170 S202 S203	Y114-N222 PolarHBondContact OH-O 3.39Å; S145-N222 PolarHBondContact O-ND2 3.46Å; S145-N222 VanDerWaalsContact O-ND2 3.13Å; C168-N222 WeakPolarHBondContact O-CB 3.2Å; C168-N222 PolarHBondContact O-ND2 3.45Å; Y170-N222 PolarHBondContact O-N 2.82Å; S202-N222 WeakPolarHBondContact CA-OD1 3.28Å; S202-N222 PolarHBondContact OG-OD1 2.94Å; S203-N222 PolarHBondContact N-OD1 2.91Å; S203-N222 PolarHBondContact OG-OD1 3.17Å
223	Y	98.8	Very high	95	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.021	C	C	.	.			trans	-133.2	157.1	171.1	60.9	-87.6	0	0	0	110	C147 I193 H194 Y198 F221 L225 F230 Q247	C147-Y223 WeakPolarHBondContact CB-O 3.46Å; C147-Y223 PolarHBondContact SG-O 3.36Å; I193-Y223 HydrophobicContact CG2-CD1 4.21Å; I193-Y223 HydrophobicContact CG2-CE1 3.71Å; H194-Y223 AromaticContact CD2-CE1 3.76Å; H194-Y223 AromaticContact CE1-CE1 3.43Å; H194-Y223 VanDerWaalsContact CE1-CE1 3.43Å; H194-Y223 WeakPolarHBondContact CE1-CE1 3.37Å; H194-Y223 AromaticContact CE1-CZ 3.77Å; H194-Y223 AromaticContact CG-CE1 3.88Å; H194-Y223 AromaticContact ND1-CE1 3.7Å; H194-Y223 AromaticContact NE2-CD1 3.65Å; H194-Y223 AromaticContact NE2-CE1 3.48Å; H194-Y223 WeakPolarHBondContact NE2-CE1 3.29Å; H194-Y223 PolarHBondContact O-OH 3.05Å; Y198-Y223 HydrophobicContact CD1-CE2 4.42Å; F221-Y223 HydrophobicContact CE2-CD1 4.31Å; Y223-L225 HydrophobicContact CD2-CD2 4.17Å; Y223-L225 HydrophobicContact CE2-CD2 3.53Å; Y223-L225 PolarHBondContact O-N 3.3Å; Y223-F230 HydrophobicContact CE2-CZ 4.34Å; Y223-Q247 HydrophobicContact CD1-CG 3.94Å; Y223-Q247 HydrophobicContact CD2-CG 4.34Å; Y223-Q247 VanDerWaalsContact CE2-NE2 3.34Å; Y223-Q247 HydrophobicContact CG-CG 3.8Å
224	R	98.5	Very high	94.3	Very high	8 Å²	8	5.4 Å²	5.4	3%	0.03	5%	0.045	C	C	.	.			trans	-62	137.5	-179.4	-77.4	172.5	-74	178.6	-3.1	111.8	P118 R125 L169 F228 G229 D246	P118-R224 HydrophobicContact CG-CG 4.16Å; R125-R224 VanDerWaalsContact O-CZ 3.31Å; R125-R224 PolarHBondContact O-NH1 2.92Å; R125-R224 PolarHBondContact O-NH2 3.43Å; L169-R224 HydrophobicContact CD2-CG 4.23Å; R224-F228 HydrophobicContact CB-CB 4.35Å; R224-F228 HydrophobicContact CG-CB 4.46Å; R224-G229 WeakPolarHBondContact O-CA 3.47Å; R224-D246 VanDerWaalsContact CB-OD2 3.26Å; R224-D246 WeakPolarHBondContact CB-OD2 3.01Å; R224-D246 VanDerWaalsContact CG-OD2 3.32Å; R224-D246 WeakPolarHBondContact CG-OD2 3.43Å; R224-D246 IonicContact CZ-OD1 3.65Å; R224-D246 IonicContact CZ-OD2 3.18Å; R224-D246 PolarHBondContact N-OD2 2.86Å; R224-D246 IonicContact NE-OD1 3.08Å; R224-D246 PolarHBondContact NE-OD1 2.76Å; R224-D246 IonicContact NE-OD2 3.52Å; R224-D246 PolarHBondContact NE-OD2 3.32Å; R224-D246 IonicContact NH2-OD1 2.91Å; R224-D246 PolarHBondContact NH2-OD1 3.02Å; R224-D246 IonicContact NH2-OD2 3.03Å
225	L	97.1	Very high	93.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	5%	0.053	C	C	.	.			trans	-115.3	167.8	-176.7	-64.2	165	0	0	0	111.4	C147 Q149 Y198 G201 Y223 F228 G229	C147-L225 HydrophobicContact CB-CD1 4.39Å; Q149-L225 VanDerWaalsContact NE2-CD1 3.34Å; Y198-L225 CarbonylContact O-C 3.5Å; Y198-L225 WeakPolarHBondContact O-CA 2.84Å; Y198-L225 WeakPolarHBondContact O-CD2 3.26Å; G201-L225 WeakPolarHBondContact O-CD1 3.43Å; Y223-L225 HydrophobicContact CD2-CD2 4.17Å; Y223-L225 HydrophobicContact CE2-CD2 3.53Å; Y223-L225 PolarHBondContact O-N 3.3Å; L225-F228 WeakPolarHBondContact O-CB 3.41Å; L225-F228 PolarHBondContact O-N 3.39Å; L225-F228 VanDerWaalsContact O-N 3.16Å; L225-G229 PolarHBondContact O-N 3.1Å
226	G	94.5	Very high	93.2	Very high	4 Å²	4	13.2 Å²	13.2	4%	0.041	8%	0.079	C	C	.	.	H	α-helix	trans	55.4	-140.7	174	0	0	0	0	0	112.3	Y198 F228 G229 F230	Y198-G226 PolarHBondContact O-N 3.34Å; G226-F228 PolarHBondContact O-N 3.32Å; G226-G229 PolarHBondContact O-N 2.98Å; G226-F230 PolarHBondContact O-N 3.35Å
227	P	94.4	Very high	92.6	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.019	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-32.1	178.2	26.4	-34.4	0	0	0	112.3	F124 G229 F230 L231 L326 I400 V404 W418	F124-P227 WeakPolarHBondContact CE1-O 3.14Å; P227-G229 PolarHBondContact O-N 2.92Å; P227-F230 PolarHBondContact O-N 3.17Å; P227-L231 HydrophobicContact CB-CB 4.23Å; P227-L231 HydrophobicContact CB-CD1 4.16Å; P227-L231 WeakPolarHBondContact O-CB 3.32Å; P227-L231 PolarHBondContact O-N 3.5Å; P227-L326 HydrophobicContact CB-CD2 3.88Å; P227-L326 HydrophobicContact CG-CD2 4.35Å; P227-I400 HydrophobicContact CB-CG2 4.45Å; P227-I400 HydrophobicContact CG-CG2 3.74Å; P227-V404 HydrophobicContact CG-CG2 3.59Å; P227-W418 HydrophobicContact CB-CD2 4Å; P227-W418 HydrophobicContact CB-CE3 4.04Å; P227-W418 HydrophobicContact CB-CH2 3.83Å; P227-W418 HydrophobicContact CB-CZ2 3.76Å; P227-W418 HydrophobicContact CB-CZ3 3.97Å; P227-W418 HydrophobicContact CG-CZ2 4.31Å
228	F	96.7	Very high	92.1	Very high	6 Å²	6	13.5 Å²	13.5	3%	0.026	8%	0.081	C	C	.	.	H	α-helix	trans	-63.6	-32.3	-180	-59.9	-89.1	0	0	0	112.1	R123 M148 E166 R224 L225 G226 A397 I400	R123-F228 HydrophobicContact CG-CD1 4.16Å; R123-F228 HydrophobicContact CG-CE1 4.46Å; M148-F228 HydrophobicContact CB-CD2 3.82Å; M148-F228 HydrophobicContact CB-CE2 3.75Å; M148-F228 HydrophobicContact CB-CG 4.35Å; M148-F228 HydrophobicContact CB-CZ 4.18Å; M148-F228 HydrophobicContact CG-CD2 3.91Å; M148-F228 HydrophobicContact CG-CE1 4.47Å; M148-F228 HydrophobicContact CG-CE2 3.29Å; M148-F228 HydrophobicContact CG-CZ 3.62Å; E166-F228 HydrophobicContact CG-CD1 4.36Å; E166-F228 HydrophobicContact CG-CE1 4.1Å; E166-F228 WeakPolarHBondContact OE1-CE1 3.37Å; R224-F228 HydrophobicContact CB-CB 4.35Å; R224-F228 HydrophobicContact CG-CB 4.46Å; L225-F228 WeakPolarHBondContact O-CB 3.41Å; L225-F228 PolarHBondContact O-N 3.39Å; L225-F228 VanDerWaalsContact O-N 3.16Å; G226-F228 PolarHBondContact O-N 3.32Å; F228-A397 HydrophobicContact CE1-CB 4.17Å; F228-A397 HydrophobicContact CZ-CB 4.01Å; F228-I400 HydrophobicContact CE1-CD1 4.13Å; F228-I400 HydrophobicContact CE1-CG2 4.44Å; F228-I400 HydrophobicContact CE2-CB 4.3Å; F228-I400 HydrophobicContact CE2-CG2 3.77Å; F228-I400 HydrophobicContact CZ-CB 3.78Å; F228-I400 HydrophobicContact CZ-CD1 4.13Å; F228-I400 HydrophobicContact CZ-CG2 3.64Å
229	G	96.4	Very high	91.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-91	-34.9	177.2	0	0	0	0	0	114.3	R224 L225 G226 P227 N241 Y242 G243	R224-G229 WeakPolarHBondContact O-CA 3.47Å; L225-G229 PolarHBondContact O-N 3.1Å; G226-G229 PolarHBondContact O-N 2.98Å; P227-G229 PolarHBondContact O-N 2.92Å; G229-N241 CarbonylContact O-C 3.6Å; G229-Y242 WeakPolarHBondContact O-CA 3.16Å; G229-Y242 WeakPolarHBondContact O-CB 3.34Å; G229-Y242 PolarHBondContact O-N 3.47Å; G229-G243 PolarHBondContact O-N 2.86Å
230	F	94.4	Very high	91	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.013	9%	0.092	C	C	.	.	H	α-helix	trans	-132.1	5.4	-160.9	-58	-75.5	0	0	0	115.3	Y198 Y223 G226 P227 S232 L244 W418 P420	Y198-F230 HydrophobicContact CD1-CE1 4.16Å; Y198-F230 AromaticContact CD1-CE2 3.84Å; Y198-F230 HydrophobicContact CD1-CE2 3.84Å; Y198-F230 AromaticContact CD1-CZ 3.46Å; Y198-F230 HydrophobicContact CD1-CZ 3.46Å; Y198-F230 VanDerWaalsContact CD1-CZ 3.46Å; Y198-F230 HydrophobicContact CE1-CZ 4.17Å; Y198-F230 HydrophobicContact CG-CE2 4.09Å; Y198-F230 HydrophobicContact CG-CZ 4.08Å; Y223-F230 HydrophobicContact CE2-CZ 4.34Å; G226-F230 PolarHBondContact O-N 3.35Å; P227-F230 PolarHBondContact O-N 3.17Å; F230-S232 PolarHBondContact O-N 3.36Å; F230-S232 VanDerWaalsContact O-N 3.17Å; F230-L244 HydrophobicContact CE1-CG 4.21Å; F230-W418 HydrophobicContact CB-CB 4.38Å; F230-P420 HydrophobicContact CD1-CG 4.08Å; F230-P420 HydrophobicContact CE1-CB 4.5Å; F230-P420 HydrophobicContact CE1-CG 3.7Å
231	L	92.5	Very high	90.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.092	C	C	.	.			trans	-63.3	119.4	177.2	-174.5	154.7	0	0	0	111.7	F124 P227 T233 S238 G240 A323 L326 I388 L391 W418	F124-L231 HydrophobicContact CD1-CB 4.34Å; F124-L231 HydrophobicContact CE1-CB 4.28Å; F124-L231 HydrophobicContact CE1-CD1 4.26Å; F124-L231 HydrophobicContact CZ-CD1 4.48Å; P227-L231 HydrophobicContact CB-CB 4.23Å; P227-L231 HydrophobicContact CB-CD1 4.16Å; P227-L231 WeakPolarHBondContact O-CB 3.32Å; P227-L231 PolarHBondContact O-N 3.5Å; L231-T233 HydrophobicContact CD2-CG2 4.37Å; L231-S238 PolarHBondContact O-OG 2.67Å; L231-G240 VanDerWaalsContact O-CA 3.28Å; L231-G240 WeakPolarHBondContact O-CA 3.08Å; L231-A323 HydrophobicContact CD1-CB 4.44Å; L231-A323 HydrophobicContact CD2-CB 4.07Å; L231-A323 HydrophobicContact CG-CB 4.07Å; L231-L326 HydrophobicContact CD1-CD2 3.91Å; L231-I388 HydrophobicContact CD2-CD1 3.5Å; L231-L391 HydrophobicContact CD1-CD1 3.58Å; L231-W418 HydrophobicContact CB-CE3 4.44Å; L231-W418 HydrophobicContact CB-CZ3 3.88Å; L231-W418 HydrophobicContact CD1-CH2 4.22Å; L231-W418 HydrophobicContact CD1-CZ3 4.24Å; L231-W418 HydrophobicContact CG-CH2 4.44Å; L231-W418 HydrophobicContact CG-CZ3 4Å
232	S	88.3	Confident	90.7	Very high	8 Å²	8	15.9 Å²	15.9	6%	0.056	9%	0.093	C	C	.	.			trans	-122.5	134	175.2	-175.5	0	0	0	0	110.6	F230 G234 S238 I239	F230-S232 PolarHBondContact O-N 3.36Å; F230-S232 VanDerWaalsContact O-N 3.17Å; S232-G234 VanDerWaalsContact C-N 3.33Å; S232-G234 PolarHBondContact OG-N 3Å; S232-S238 CarbonylContact C-O 3.59Å; S232-S238 VanDerWaalsContact CA-O 3.31Å; S232-S238 WeakPolarHBondContact CA-O 3.41Å; S232-S238 PolarHBondContact OG-O 3.01Å; S232-I239 PolarHBondContact OG-O 3.47Å; S232-I239 VanDerWaalsContact OG-O 3.06Å
233	T	83.9	Confident	90.6	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.012	9%	0.093	C	C	.	.			trans	-89.9	-0.6	172.4	50.1	0	0	0	0	112.2	L231 D235 S238 R320 A323 A384 L387 I388	L231-T233 HydrophobicContact CD2-CG2 4.37Å; T233-D235 WeakPolarHBondContact CB-OD1 3.23Å; T233-D235 PolarHBondContact O-N 3.43Å; T233-D235 PolarHBondContact OG1-OD1 3.27Å; T233-S238 PolarHBondContact N-O 3.44Å; T233-S238 PolarHBondContact OG1-N 2.72Å; T233-S238 PolarHBondContact OG1-O 3.48Å; T233-R320 WeakPolarHBondContact O-CB 3.41Å; T233-R320 VanDerWaalsContact O-CD 3.26Å; T233-R320 WeakPolarHBondContact O-CD 3.47Å; T233-R320 WeakPolarHBondContact O-CG 3.24Å; T233-A323 HydrophobicContact CG2-CB 4.24Å; T233-A384 HydrophobicContact CG2-CB 4.19Å; T233-L387 HydrophobicContact CG2-CD2 4.36Å; T233-I388 HydrophobicContact CG2-CD1 4.01Å; T233-I388 HydrophobicContact CG2-CG1 4.08Å
234	G	77.1	Confident	90.6	Very high	53 Å²	53	15.9 Å²	15.9	55%	0.546	9%	0.093	S	C	.	.	S	Bend	trans	71.2	8.5	-174.5	0	0	0	0	0	114.1	S232	S232-G234 VanDerWaalsContact C-N 3.33Å; S232-G234 PolarHBondContact OG-N 3Å
235	D	76.4	Confident	90.5	Very high	38 Å²	38	16.6 Å²	16.6	20%	0.203	10%	0.096	C	C	.	.	S	Bend	trans	-142.4	-173.6	177	63.1	27	0	0	0	110.6	T233 A237 S238 A384	T233-D235 WeakPolarHBondContact CB-OD1 3.23Å; T233-D235 PolarHBondContact O-N 3.43Å; T233-D235 PolarHBondContact OG1-OD1 3.27Å; D235-A237 PolarHBondContact O-N 2.82Å; D235-A237 VanDerWaalsContact OD1-CB 3.27Å; D235-A237 WeakPolarHBondContact OD1-CB 3.33Å; D235-A237 PolarHBondContact OD1-N 3.46Å; D235-S238 CarbonylContact O-C 3.6Å; D235-A384 WeakPolarHBondContact OD2-CB 3.18Å
236	H	79.8	Confident	90.6	Very high	149 Å²	149	16.6 Å²	16.6	69%	0.69	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-5.6	-176.2	-64.3	-65.1	0	0	0	114.9
237	A	83.6	Confident	90.8	Very high	6 Å²	6	16.4 Å²	16.4	5%	0.05	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-39.8	177.1	0	0	0	0	0	111.5	D235 A384 Y385 I388	D235-A237 PolarHBondContact O-N 2.82Å; D235-A237 VanDerWaalsContact OD1-CB 3.27Å; D235-A237 WeakPolarHBondContact OD1-CB 3.33Å; D235-A237 PolarHBondContact OD1-N 3.46Å; A237-A384 HydrophobicContact CB-CB 3.52Å; A237-Y385 HydrophobicContact CB-CD1 3.91Å; A237-Y385 HydrophobicContact CB-CD2 4.31Å; A237-Y385 HydrophobicContact CB-CE1 4Å; A237-Y385 HydrophobicContact CB-CE2 4.39Å; A237-Y385 HydrophobicContact CB-CG 4.07Å; A237-I388 HydrophobicContact CB-CG1 4.27Å
238	S	88	Confident	91	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.			trans	-148.6	106.2	169	-168.9	0	0	0	0	109.9	L231 S232 T233 D235 G240 Y242 I388	L231-S238 PolarHBondContact O-OG 2.67Å; S232-S238 CarbonylContact C-O 3.59Å; S232-S238 VanDerWaalsContact CA-O 3.31Å; S232-S238 WeakPolarHBondContact CA-O 3.41Å; S232-S238 PolarHBondContact OG-O 3.01Å; T233-S238 PolarHBondContact N-O 3.44Å; T233-S238 PolarHBondContact OG1-N 2.72Å; T233-S238 PolarHBondContact OG1-O 3.48Å; D235-S238 CarbonylContact O-C 3.6Å; S238-G240 VanDerWaalsContact C-N 3.29Å; S238-G240 PolarHBondContact O-N 3.45Å; S238-Y242 WeakPolarHBondContact CA-OH 3.26Å; S238-Y242 WeakPolarHBondContact OG-CE2 3.19Å; S238-Y242 PolarHBondContact OG-OH 3.38Å; S238-Y242 VanDerWaalsContact OG-OH 3.09Å; S238-I388 VanDerWaalsContact CB-CD1 3.49Å
239	I	85	Confident	91	Very high	45 Å²	45	16.9 Å²	16.9	23%	0.231	10%	0.096	C	C	.	.			trans	-72.2	-24.3	-179.6	64.6	170.3	0	0	0	112.6	F126 S232 Y242	F126-I239 HydrophobicContact CE1-CD1 3.68Å; F126-I239 HydrophobicContact CE2-CD1 4.42Å; F126-I239 HydrophobicContact CZ-CD1 3.36Å; F126-I239 HydrophobicContact CZ-CG1 4.49Å; S232-I239 PolarHBondContact OG-O 3.47Å; S232-I239 VanDerWaalsContact OG-O 3.06Å; I239-Y242 HydrophobicContact CG1-CE1 4.49Å
240	G	89.6	Confident	91.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.			trans	88.9	-163	-174.1	0	0	0	0	0	113.7	L231 S238 Y242	L231-G240 VanDerWaalsContact O-CA 3.28Å; L231-G240 WeakPolarHBondContact O-CA 3.08Å; S238-G240 VanDerWaalsContact C-N 3.29Å; S238-G240 PolarHBondContact O-N 3.45Å; G240-Y242 PolarHBondContact O-N 2.95Å
241	N	94.2	Very high	91.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.			trans	57	13.6	177.1	-66.1	-21	0	0	0	117	G229 G243 L244 W245 P420 V421 D423	G229-N241 CarbonylContact O-C 3.6Å; N241-G243 PolarHBondContact O-N 2.93Å; N241-G243 VanDerWaalsContact O-N 3.12Å; N241-L244 HydrophobicContact CB-CD1 4.28Å; N241-L244 WeakPolarHBondContact O-CA 3.49Å; N241-L244 WeakPolarHBondContact O-CB 3.21Å; N241-L244 PolarHBondContact O-N 3.39Å; N241-W245 PolarHBondContact O-N 2.89Å; N241-W245 VanDerWaalsContact O-N 3.11Å; N241-P420 WeakPolarHBondContact OD1-CA 3.43Å; N241-V421 PolarHBondContact ND2-O 3.42Å; N241-V421 PolarHBondContact OD1-N 2.81Å; N241-D423 PolarHBondContact ND2-OD2 2.88Å
242	Y	95.9	Very high	91.6	Very high	8 Å²	8	17.2 Å²	17.2	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-52.1	-35.8	178.7	-56.4	-60	0	0	0	113.4	F124 R125 G229 S238 I239 G240 W245 D246	F124-Y242 HydrophobicContact CB-CD2 4.34Å; F124-Y242 HydrophobicContact CB-CE2 3.72Å; F124-Y242 WeakPolarHBondContact O-CE1 3.36Å; F124-Y242 PolarHBondContact O-OH 2.75Å; F124-Y242 VanDerWaalsContact O-OH 3.04Å; R125-Y242 VanDerWaalsContact C-CD1 3.45Å; R125-Y242 WeakPolarHBondContact O-CD1 3.28Å; G229-Y242 WeakPolarHBondContact O-CA 3.16Å; G229-Y242 WeakPolarHBondContact O-CB 3.34Å; G229-Y242 PolarHBondContact O-N 3.47Å; S238-Y242 WeakPolarHBondContact CA-OH 3.26Å; S238-Y242 WeakPolarHBondContact OG-CE2 3.19Å; S238-Y242 PolarHBondContact OG-OH 3.38Å; S238-Y242 VanDerWaalsContact OG-OH 3.09Å; I239-Y242 HydrophobicContact CG1-CE1 4.49Å; G240-Y242 PolarHBondContact O-N 2.95Å; Y242-W245 PolarHBondContact O-N 3.03Å; Y242-D246 PolarHBondContact O-N 3.34Å
243	G	98	Very high	92	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-38.7	173.7	0	0	0	0	0	113.4	G229 N241 D246 Q247	G229-G243 PolarHBondContact O-N 2.86Å; N241-G243 PolarHBondContact O-N 2.93Å; N241-G243 VanDerWaalsContact O-N 3.12Å; G243-D246 WeakPolarHBondContact O-CB 3.48Å; G243-D246 PolarHBondContact O-N 3.28Å; G243-Q247 WeakPolarHBondContact O-CG 3.43Å; G243-Q247 PolarHBondContact O-N 3.11Å; G243-Q247 VanDerWaalsContact O-N 3.1Å
244	L	97.8	Very high	92.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.8	-35.8	174.1	-62.4	-178.9	0	0	0	111.9	F230 N241 D246 Q247 L248 L282 P420 F428 F429	F230-L244 HydrophobicContact CE1-CG 4.21Å; N241-L244 HydrophobicContact CB-CD1 4.28Å; N241-L244 WeakPolarHBondContact O-CA 3.49Å; N241-L244 WeakPolarHBondContact O-CB 3.21Å; N241-L244 PolarHBondContact O-N 3.39Å; L244-D246 VanDerWaalsContact C-N 3.3Å; L244-D246 PolarHBondContact O-N 2.76Å; L244-Q247 PolarHBondContact O-N 3.19Å; L244-L248 PolarHBondContact O-N 2.93Å; L244-L282 HydrophobicContact CD1-CD1 4.02Å; L244-L282 HydrophobicContact CD2-CD1 4.2Å; L244-P420 HydrophobicContact CD1-CB 3.98Å; L244-P420 HydrophobicContact CD1-CG 4.11Å; L244-P420 HydrophobicContact CD2-CG 4.31Å; L244-P420 HydrophobicContact CG-CG 4.34Å; L244-F428 HydrophobicContact CB-CD1 4.35Å; L244-F428 HydrophobicContact CB-CD2 3.75Å; L244-F428 HydrophobicContact CB-CE1 4.17Å; L244-F428 HydrophobicContact CB-CE2 3.58Å; L244-F428 HydrophobicContact CB-CG 4.12Å; L244-F428 HydrophobicContact CB-CZ 3.78Å; L244-F428 HydrophobicContact CD1-CD1 3.92Å; L244-F428 HydrophobicContact CD1-CE1 4.11Å; L244-F428 HydrophobicContact CD1-CG 4.14Å; L244-F428 VanDerWaalsContact O-CE2 3.31Å; L244-F428 WeakPolarHBondContact O-CE2 3.49Å; L244-F429 HydrophobicContact CD1-CD1 4.39Å; L244-F429 HydrophobicContact CD1-CE1 3.74Å
245	W	97.6	Very high	93.6	Very high	23 Å²	23	16.9 Å²	16.9	9%	0.087	8%	0.081	C	C	.	.	H	α-helix	trans	-65.8	-34.3	173.9	-73.2	96.3	0	0	0	112.2	F126 P127 N241 Y242 L248 L249 L288 F428	F126-W245 HydrophobicContact CD1-CB 4.17Å; F126-W245 AromaticContact CD1-CD1 3.79Å; F126-W245 AromaticContact CD1-CD2 3.61Å; F126-W245 HydrophobicContact CD1-CD2 3.61Å; F126-W245 AromaticContact CD1-CE2 3.85Å; F126-W245 HydrophobicContact CD1-CE3 4.11Å; F126-W245 AromaticContact CD1-CG 3.6Å; F126-W245 HydrophobicContact CD1-CG 3.6Å; F126-W245 HydrophobicContact CD1-CZ2 4.49Å; F126-W245 AromaticContact CD1-NE1 4Å; F126-W245 AromaticContact CE1-CD1 3.65Å; F126-W245 AromaticContact CE1-CD2 3.65Å; F126-W245 HydrophobicContact CE1-CD2 3.65Å; F126-W245 AromaticContact CE1-CE2 3.35Å; F126-W245 HydrophobicContact CE1-CE3 4.34Å; F126-W245 AromaticContact CE1-CG 3.85Å; F126-W245 HydrophobicContact CE1-CG 3.85Å; F126-W245 HydrophobicContact CE1-CH2 4.42Å; F126-W245 AromaticContact CE1-CZ2 3.79Å; F126-W245 HydrophobicContact CE1-CZ2 3.79Å; F126-W245 AromaticContact CE1-NE1 3.41Å; F126-W245 HydrophobicContact CZ-CZ2 4.27Å; P127-W245 HydrophobicContact CG-CB 4.17Å; P127-W245 WeakPolarHBondContact CG-O 3.49Å; N241-W245 PolarHBondContact O-N 2.89Å; N241-W245 VanDerWaalsContact O-N 3.11Å; Y242-W245 PolarHBondContact O-N 3.03Å; W245-L248 HydrophobicContact CE3-CD2 4.06Å; W245-L248 HydrophobicContact CZ3-CD2 4.12Å; W245-L248 PolarHBondContact O-N 3.23Å; W245-L249 PolarHBondContact O-N 3.13Å; W245-L288 HydrophobicContact CH2-CD1 3.29Å; W245-L288 HydrophobicContact CZ2-CD1 3.62Å; W245-L288 HydrophobicContact CZ3-CD1 3.91Å; W245-F428 HydrophobicContact CD2-CD2 4.16Å; W245-F428 AromaticContact CE2-CD2 3.98Å; W245-F428 HydrophobicContact CG-CD2 4.27Å; W245-F428 AromaticContact NE1-CD2 3.9Å
246	D	98.6	Very high	94.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-48	171.3	-62.3	-19.4	0	0	0	110.8	Y114 P127 L169 R224 Y242 G243 L244 L248 L249 A250	Y114-D246 WeakPolarHBondContact CE2-O 3.47Å; P127-D246 VanDerWaalsContact CB-OD1 3.25Å; P127-D246 WeakPolarHBondContact CB-OD1 3.39Å; P127-D246 VanDerWaalsContact CG-OD1 3.31Å; P127-D246 WeakPolarHBondContact CG-OD1 3.42Å; L169-D246 HydrophobicContact CD2-CB 4.12Å; L169-D246 WeakPolarHBondContact CD2-OD2 3.46Å; R224-D246 VanDerWaalsContact CB-OD2 3.26Å; R224-D246 WeakPolarHBondContact CB-OD2 3.01Å; R224-D246 VanDerWaalsContact CG-OD2 3.32Å; R224-D246 WeakPolarHBondContact CG-OD2 3.43Å; R224-D246 IonicContact CZ-OD1 3.65Å; R224-D246 IonicContact CZ-OD2 3.18Å; R224-D246 PolarHBondContact N-OD2 2.86Å; R224-D246 IonicContact NE-OD1 3.08Å; R224-D246 PolarHBondContact NE-OD1 2.76Å; R224-D246 IonicContact NE-OD2 3.52Å; R224-D246 PolarHBondContact NE-OD2 3.32Å; R224-D246 IonicContact NH2-OD1 2.91Å; R224-D246 PolarHBondContact NH2-OD1 3.02Å; R224-D246 IonicContact NH2-OD2 3.03Å; Y242-D246 PolarHBondContact O-N 3.34Å; G243-D246 WeakPolarHBondContact O-CB 3.48Å; G243-D246 PolarHBondContact O-N 3.28Å; L244-D246 VanDerWaalsContact C-N 3.3Å; L244-D246 PolarHBondContact O-N 2.76Å; D246-L248 PolarHBondContact O-N 2.63Å; D246-L249 PolarHBondContact O-N 3.12Å; D246-A250 PolarHBondContact O-N 3.15Å
247	Q	98.5	Very high	95.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.8	-45.2	176.5	-63.8	168.7	14.9	0	0	112	I193 F221 Y223 G243 L244 L249 A250 I251 S279 H283	I193-Q247 HydrophobicContact CG2-CG 4.23Å; F221-Q247 HydrophobicContact CE2-CB 4.1Å; F221-Q247 HydrophobicContact CE2-CG 3.81Å; F221-Q247 HydrophobicContact CZ-CB 4.12Å; F221-Q247 HydrophobicContact CZ-CG 4.01Å; Y223-Q247 HydrophobicContact CD1-CG 3.94Å; Y223-Q247 HydrophobicContact CD2-CG 4.34Å; Y223-Q247 VanDerWaalsContact CE2-NE2 3.34Å; Y223-Q247 HydrophobicContact CG-CG 3.8Å; G243-Q247 WeakPolarHBondContact O-CG 3.43Å; G243-Q247 PolarHBondContact O-N 3.11Å; G243-Q247 VanDerWaalsContact O-N 3.1Å; L244-Q247 PolarHBondContact O-N 3.19Å; Q247-L249 VanDerWaalsContact C-N 3.3Å; Q247-L249 PolarHBondContact O-N 3.36Å; Q247-A250 PolarHBondContact O-N 3.32Å; Q247-I251 WeakPolarHBondContact O-CD1 3.37Å; Q247-I251 VanDerWaalsContact O-CG1 3.25Å; Q247-I251 WeakPolarHBondContact O-CG1 3.47Å; Q247-I251 PolarHBondContact O-N 3.43Å; Q247-S279 PolarHBondContact NE2-OG 3.4Å; Q247-S279 PolarHBondContact OE1-OG 2.98Å; Q247-H283 WeakPolarHBondContact CB-NE2 3.22Å; Q247-H283 PolarHBondContact OE1-NE2 2.94Å
248	L	98.1	Very high	96	Very high	9 Å²	9	12.3 Å²	12.3	5%	0.047	6%	0.058	C	C	.	.	H	α-helix	trans	-59.5	-40.9	175.8	176.5	59.8	0	0	0	111.9	L244 W245 D246 T252 L288 T289 L294 F428	L244-L248 PolarHBondContact O-N 2.93Å; W245-L248 HydrophobicContact CE3-CD2 4.06Å; W245-L248 HydrophobicContact CZ3-CD2 4.12Å; W245-L248 PolarHBondContact O-N 3.23Å; D246-L248 PolarHBondContact O-N 2.63Å; L248-T252 WeakPolarHBondContact O-CB 3.42Å; L248-T252 PolarHBondContact O-N 3.3Å; L248-T252 PolarHBondContact O-OG1 3.44Å; L248-L288 HydrophobicContact CD2-CB 4.05Å; L248-L288 HydrophobicContact CD2-CD1 4.39Å; L248-T289 HydrophobicContact CD1-CG2 4.15Å; L248-L294 HydrophobicContact CD1-CD1 3.64Å; L248-F428 HydrophobicContact CB-CE2 4Å; L248-F428 HydrophobicContact CD2-CE2 4.19Å
249	L	97.6	Very high	96.3	Very high	11 Å²	11	15 Å²	15	6%	0.058	7%	0.07	C	C	.	.	H	α-helix	trans	-68.8	-40.4	177.5	-176.8	61.8	0	0	0	111.8	L43 Y114 A115 P127 P129 W245 D246 Q247 T252 W253	L43-L249 HydrophobicContact CD2-CD1 4.5Å; Y114-L249 HydrophobicContact CD2-CB 4.44Å; Y114-L249 HydrophobicContact CD2-CD2 4.32Å; Y114-L249 HydrophobicContact CD2-CG 4.15Å; Y114-L249 HydrophobicContact CE2-CB 4.46Å; A115-L249 HydrophobicContact CB-CD2 3.77Å; P127-L249 HydrophobicContact CB-CD2 3.68Å; P127-L249 HydrophobicContact CG-CB 4.1Å; P127-L249 HydrophobicContact CG-CD2 3.93Å; P129-L249 HydrophobicContact CG-CD1 4.03Å; W245-L249 PolarHBondContact O-N 3.13Å; D246-L249 PolarHBondContact O-N 3.12Å; Q247-L249 VanDerWaalsContact C-N 3.3Å; Q247-L249 PolarHBondContact O-N 3.36Å; L249-T252 WeakPolarHBondContact O-CB 3.18Å; L249-T252 PolarHBondContact O-N 2.9Å; L249-W253 WeakPolarHBondContact O-CB 3.5Å; L249-W253 PolarHBondContact O-N 3.03Å
250	A	98.7	Very high	96.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.1	-47.2	174.4	0	0	0	0	0	111.5	Y114 F221 D246 Q247 T252 W253 V254	Y114-A250 HydrophobicContact CD1-CB 4.23Å; Y114-A250 HydrophobicContact CD2-CB 3.93Å; Y114-A250 HydrophobicContact CE1-CB 4.1Å; Y114-A250 HydrophobicContact CE2-CB 3.8Å; Y114-A250 HydrophobicContact CG-CB 4.15Å; F221-A250 HydrophobicContact CD1-CB 4.29Å; F221-A250 HydrophobicContact CD2-CB 3.6Å; F221-A250 HydrophobicContact CE1-CB 4.37Å; F221-A250 HydrophobicContact CE2-CB 3.7Å; F221-A250 HydrophobicContact CG-CB 3.91Å; F221-A250 HydrophobicContact CZ-CB 4.08Å; D246-A250 PolarHBondContact O-N 3.15Å; Q247-A250 PolarHBondContact O-N 3.32Å; A250-T252 VanDerWaalsContact C-N 3.3Å; A250-T252 PolarHBondContact O-N 2.92Å; A250-W253 WeakPolarHBondContact O-CB 3.24Å; A250-W253 PolarHBondContact O-N 2.69Å; A250-W253 VanDerWaalsContact O-N 3.14Å; A250-V254 WeakPolarHBondContact O-CG2 3.37Å; A250-V254 PolarHBondContact O-N 2.85Å
251	I	98.6	Very high	97.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.6	-41.9	176.2	-66.3	162.2	0	0	0	110.6	V191 Q247 W253 V254 K255 L270 L294	V191-I251 HydrophobicContact CG1-CG1 4.08Å; Q247-I251 WeakPolarHBondContact O-CD1 3.37Å; Q247-I251 VanDerWaalsContact O-CG1 3.25Å; Q247-I251 WeakPolarHBondContact O-CG1 3.47Å; Q247-I251 PolarHBondContact O-N 3.43Å; I251-W253 VanDerWaalsContact C-N 3.34Å; I251-W253 PolarHBondContact O-N 2.77Å; I251-V254 PolarHBondContact O-N 2.92Å; I251-K255 PolarHBondContact O-N 3.35Å; I251-L270 HydrophobicContact CD1-CD1 4.04Å; I251-L270 HydrophobicContact CD1-CD2 3.82Å; I251-L270 HydrophobicContact CG1-CD2 3.88Å; I251-L270 HydrophobicContact CG2-CD2 4.2Å; I251-L294 HydrophobicContact CG2-CB 3.78Å; I251-L294 HydrophobicContact CG2-CD1 4.14Å
252	T	97.5	Very high	97.1	Very high	10 Å²	10	20.8 Å²	20.8	6%	0.061	9%	0.092	C	C	.	.	H	α-helix	trans	-62.3	-42.5	175.7	-60.1	0	0	0	0	111.3	L43 L248 L249 A250 V254 K255 Q256	L43-T252 HydrophobicContact CD1-CG2 4.34Å; L248-T252 WeakPolarHBondContact O-CB 3.42Å; L248-T252 PolarHBondContact O-N 3.3Å; L248-T252 PolarHBondContact O-OG1 3.44Å; L249-T252 WeakPolarHBondContact O-CB 3.18Å; L249-T252 PolarHBondContact O-N 2.9Å; A250-T252 VanDerWaalsContact C-N 3.3Å; A250-T252 PolarHBondContact O-N 2.92Å; T252-V254 VanDerWaalsContact C-N 3.31Å; T252-V254 PolarHBondContact O-N 2.82Å; T252-K255 PolarHBondContact O-N 3.4Å; T252-Q256 HydrophobicContact CG2-CG 4.46Å; T252-Q256 VanDerWaalsContact O-CB 3.29Å; T252-Q256 WeakPolarHBondContact O-CB 3.36Å; T252-Q256 VanDerWaalsContact O-CG 3.23Å; T252-Q256 WeakPolarHBondContact O-CG 3.5Å; T252-Q256 PolarHBondContact O-N 2.97Å
253	W	97.2	Very high	97.2	Very high	7 Å²	7	20.4 Å²	20.4	3%	0.027	9%	0.09	C	C	.	.	H	α-helix	trans	-59.5	-43	175.4	-175.7	104.1	0	0	0	111.2	M79 I112 L171 V173 L249 A250 I251 Q256 N257 F261	M79-W253 VanDerWaalsContact CE-CD1 3.49Å; M79-W253 PolarHBondContact SD-NE1 2.69Å; I112-W253 HydrophobicContact CD1-CH2 4.32Å; I112-W253 HydrophobicContact CG2-CH2 4.08Å; I112-W253 HydrophobicContact CG2-CZ2 3.61Å; L171-W253 HydrophobicContact CD1-CE3 4.16Å; L171-W253 HydrophobicContact CD1-CH2 4Å; L171-W253 HydrophobicContact CD1-CZ3 3.73Å; L171-W253 HydrophobicContact CD2-CD2 3.71Å; L171-W253 HydrophobicContact CD2-CE3 3.38Å; L171-W253 HydrophobicContact CD2-CG 4.21Å; L171-W253 HydrophobicContact CD2-CZ3 3.85Å; L171-W253 HydrophobicContact CG-CE3 4.4Å; L171-W253 HydrophobicContact CG-CZ3 4.44Å; V173-W253 HydrophobicContact CG2-CZ3 4.49Å; L249-W253 WeakPolarHBondContact O-CB 3.5Å; L249-W253 PolarHBondContact O-N 3.03Å; A250-W253 WeakPolarHBondContact O-CB 3.24Å; A250-W253 PolarHBondContact O-N 2.69Å; A250-W253 VanDerWaalsContact O-N 3.14Å; I251-W253 VanDerWaalsContact C-N 3.34Å; I251-W253 PolarHBondContact O-N 2.77Å; W253-Q256 PolarHBondContact O-N 3.35Å; W253-N257 HydrophobicContact CD2-CB 4.31Å; W253-N257 HydrophobicContact CE3-CB 4.39Å; W253-N257 HydrophobicContact CH2-CB 4.17Å; W253-N257 HydrophobicContact CZ2-CB 4.07Å; W253-N257 HydrophobicContact CZ3-CB 4.33Å; W253-N257 WeakPolarHBondContact O-CB 3.38Å; W253-N257 PolarHBondContact O-N 3.41Å; W253-N257 PolarHBondContact O-ND2 3.17Å; W253-F261 HydrophobicContact CH2-CD2 4.43Å; W253-F261 AromaticContact CH2-CE2 3.68Å; W253-F261 HydrophobicContact CH2-CE2 3.68Å; W253-F261 HydrophobicContact CH2-CZ 4.29Å; W253-F261 HydrophobicContact CZ2-CE2 4.48Å
254	V	98.4	Very high	97.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-61.7	-55	177	174.8	0	0	0	0	110.3	V189 V191 V219 A250 I251 T252 Q256 N257 I258 I268	V189-V254 HydrophobicContact CG1-CG1 3.95Å; V191-V254 HydrophobicContact CG2-CB 4.14Å; V191-V254 HydrophobicContact CG2-CG1 3.71Å; V191-V254 HydrophobicContact CG2-CG2 4.02Å; V219-V254 HydrophobicContact CB-CG2 4.23Å; V219-V254 HydrophobicContact CG1-CG2 3.77Å; V219-V254 HydrophobicContact CG2-CG1 4.35Å; V219-V254 HydrophobicContact CG2-CG2 4.06Å; A250-V254 WeakPolarHBondContact O-CG2 3.37Å; A250-V254 PolarHBondContact O-N 2.85Å; I251-V254 PolarHBondContact O-N 2.92Å; T252-V254 VanDerWaalsContact C-N 3.31Å; T252-V254 PolarHBondContact O-N 2.82Å; V254-Q256 PolarHBondContact O-N 3.34Å; V254-N257 PolarHBondContact O-N 3.29Å; V254-N257 VanDerWaalsContact O-N 3.09Å; V254-I258 HydrophobicContact CG1-CB 3.8Å; V254-I258 HydrophobicContact CG1-CD1 4.22Å; V254-I258 HydrophobicContact CG1-CG1 3.99Å; V254-I258 HydrophobicContact CG1-CG2 4.11Å; V254-I258 WeakPolarHBondContact O-CB 3.3Å; V254-I258 VanDerWaalsContact O-CG2 3.26Å; V254-I258 WeakPolarHBondContact O-CG2 3.45Å; V254-I258 PolarHBondContact O-N 2.89Å; V254-I268 HydrophobicContact CG1-CD1 4.05Å
255	K	97.2	Very high	97.1	Very high	48 Å²	48	23 Å²	23	21%	0.209	11%	0.106	C	C	.	.	H	α-helix	trans	-51.8	-35.6	178.2	-178.5	67.7	-176.2	-173.3	0	112.1	I251 T252 P265 D266 I268 L294	I251-K255 PolarHBondContact O-N 3.35Å; T252-K255 PolarHBondContact O-N 3.4Å; K255-P265 HydrophobicContact CD-CB 4.36Å; K255-P265 WeakPolarHBondContact CD-O 3.5Å; K255-P265 WeakPolarHBondContact CE-O 3.32Å; K255-P265 PolarHBondContact NZ-O 2.86Å; K255-P265 WeakPolarHBondContact O-CB 3.4Å; K255-D266 IonicContact NZ-OD1 3.77Å; K255-D266 PolarHBondContact NZ-OD1 3.29Å; K255-I268 HydrophobicContact CB-CD1 4.06Å; K255-I268 HydrophobicContact CD-CD1 3.88Å; K255-L294 HydrophobicContact CB-CD2 4.08Å; K255-L294 HydrophobicContact CG-CD2 4Å
256	Q	95.3	Very high	97.1	Very high	96 Å²	96	26.8 Å²	26.8	45%	0.449	13%	0.128	S	C	.	.	H	α-helix	trans	-79.3	-38.2	-178.3	-77.8	177.9	-0.2	0	0	113.6	R76 T252 W253 V254	R76-Q256 VanDerWaalsContact NH1-C 3.33Å; R76-Q256 PolarHBondContact NH1-O 3.03Å; R76-Q256 PolarHBondContact NH2-O 2.94Å; T252-Q256 HydrophobicContact CG2-CG 4.46Å; T252-Q256 VanDerWaalsContact O-CB 3.29Å; T252-Q256 WeakPolarHBondContact O-CB 3.36Å; T252-Q256 VanDerWaalsContact O-CG 3.23Å; T252-Q256 WeakPolarHBondContact O-CG 3.5Å; T252-Q256 PolarHBondContact O-N 2.97Å; W253-Q256 PolarHBondContact O-N 3.35Å; V254-Q256 PolarHBondContact O-N 3.34Å
257	N	96.6	Very high	97	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-123.7	-9.8	-162.8	-55.3	-69.4	0	0	0	114.6	I74 R76 W253 V254 E259 W260	I74-N257 HydrophobicContact CD1-CB 4.33Å; R76-N257 PolarHBondContact NH1-OD1 2.75Å; R76-N257 VanDerWaalsContact NH1-OD1 3.1Å; W253-N257 HydrophobicContact CD2-CB 4.31Å; W253-N257 HydrophobicContact CE3-CB 4.39Å; W253-N257 HydrophobicContact CH2-CB 4.17Å; W253-N257 HydrophobicContact CZ2-CB 4.07Å; W253-N257 HydrophobicContact CZ3-CB 4.33Å; W253-N257 WeakPolarHBondContact O-CB 3.38Å; W253-N257 PolarHBondContact O-N 3.41Å; W253-N257 PolarHBondContact O-ND2 3.17Å; V254-N257 PolarHBondContact O-N 3.29Å; V254-N257 VanDerWaalsContact O-N 3.09Å; N257-E259 PolarHBondContact O-N 3.28Å; N257-E259 VanDerWaalsContact O-N 3.12Å; N257-W260 PolarHBondContact O-N 2.81Å
258	I	97.4	Very high	97	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-65.6	-21.3	-171.6	-156.3	64.5	0	0	0	113.7	V173 V189 V217 V219 V254 W260 F261 G263 P265	V173-I258 HydrophobicContact CG1-CD1 4.01Å; V173-I258 HydrophobicContact CG2-CD1 4.4Å; V189-I258 HydrophobicContact CG1-CG1 3.97Å; V189-I258 HydrophobicContact CG2-CG1 3.96Å; V189-I258 HydrophobicContact CG2-CG2 4.06Å; V217-I258 HydrophobicContact CG1-CD1 3.72Å; V217-I258 HydrophobicContact CG1-CG1 3.96Å; V219-I258 HydrophobicContact CG2-CD1 3.61Å; V254-I258 HydrophobicContact CG1-CB 3.8Å; V254-I258 HydrophobicContact CG1-CD1 4.22Å; V254-I258 HydrophobicContact CG1-CG1 3.99Å; V254-I258 HydrophobicContact CG1-CG2 4.11Å; V254-I258 WeakPolarHBondContact O-CB 3.3Å; V254-I258 VanDerWaalsContact O-CG2 3.26Å; V254-I258 WeakPolarHBondContact O-CG2 3.45Å; V254-I258 PolarHBondContact O-N 2.89Å; I258-W260 PolarHBondContact O-N 3.41Å; I258-F261 HydrophobicContact CD1-CB 4.34Å; I258-F261 HydrophobicContact CD1-CD2 4.48Å; I258-F261 CarbonylContact O-C 3.46Å; I258-F261 WeakPolarHBondContact O-CA 3.33Å; I258-F261 PolarHBondContact O-N 3.41Å; I258-G263 WeakPolarHBondContact O-CA 3.41Å; I258-G263 PolarHBondContact O-N 2.86Å; I258-P265 HydrophobicContact CG2-CB 4.17Å
259	E	95.6	Very high	97.1	Very high	56 Å²	56	31.3 Å²	31.3	26%	0.262	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-56.1	-31.7	172.8	73.8	177.8	158.9	0	0	112.6	R76 R186 N257 F261 Q262 G263	R76-E259 IonicContact NH2-OE1 3.6Å; R186-E259 VanDerWaalsContact CZ-O 3.3Å; R186-E259 PolarHBondContact NH1-O 2.83Å; R186-E259 IonicContact NH2-OE2 3.82Å; N257-E259 PolarHBondContact O-N 3.28Å; N257-E259 VanDerWaalsContact O-N 3.12Å; E259-F261 PolarHBondContact O-N 2.85Å; E259-Q262 PolarHBondContact O-N 3.1Å; E259-Q262 VanDerWaalsContact O-N 3.14Å; E259-G263 VanDerWaalsContact CA-O 3.29Å; E259-G263 WeakPolarHBondContact CA-O 3.42Å
260	W	95.2	Very high	97.1	Very high	98 Å²	98	30.8 Å²	30.8	37%	0.371	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-72	-18.2	178.8	-62.6	91.6	0	0	0	112.4	V72 D73 I74 P75 N257 I258	V72-W260 HydrophobicContact CG1-CB 3.83Å; V72-W260 WeakPolarHBondContact CG1-O 3.35Å; D73-W260 VanDerWaalsContact O-CE3 3.24Å; I74-W260 HydrophobicContact CB-CG 4.44Å; I74-W260 HydrophobicContact CD1-CB 4.31Å; I74-W260 HydrophobicContact CG1-CB 3.89Å; I74-W260 HydrophobicContact CG1-CG 3.95Å; I74-W260 HydrophobicContact CG2-CG 4.24Å; P75-W260 VanDerWaalsContact CD-CZ2 3.41Å; P75-W260 HydrophobicContact CG-CH2 3.37Å; P75-W260 HydrophobicContact CG-CZ2 3.58Å; P75-W260 HydrophobicContact CG-CZ3 4.06Å; N257-W260 PolarHBondContact O-N 2.81Å; I258-W260 PolarHBondContact O-N 3.41Å
261	F	95.6	Very high	97.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-103.9	28.3	174.2	-56.6	-90	0	0	0	111.5	V72 I74 F109 I112 V173 Y175 W253 I258 E259 G263	V72-F261 HydrophobicContact CB-CE1 4.06Å; V72-F261 HydrophobicContact CB-CZ 4.45Å; V72-F261 HydrophobicContact CG1-CD1 4.31Å; V72-F261 HydrophobicContact CG1-CE1 3.96Å; V72-F261 HydrophobicContact CG1-CE2 4.33Å; V72-F261 HydrophobicContact CG1-CZ 3.97Å; V72-F261 HydrophobicContact CG2-CD1 4.11Å; V72-F261 HydrophobicContact CG2-CE1 4.11Å; I74-F261 HydrophobicContact CD1-CE2 3.7Å; I74-F261 HydrophobicContact CD1-CZ 4.08Å; F109-F261 HydrophobicContact CB-CE1 4.35Å; F109-F261 AromaticContact CD1-CE1 3.79Å; F109-F261 HydrophobicContact CD1-CE1 3.79Å; F109-F261 HydrophobicContact CD2-CD1 4.03Å; F109-F261 AromaticContact CD2-CE1 3.93Å; F109-F261 HydrophobicContact CD2-CE1 3.93Å; F109-F261 HydrophobicContact CE1-CE1 4.03Å; F109-F261 HydrophobicContact CE2-CD1 4.23Å; F109-F261 HydrophobicContact CE2-CE1 4.18Å; F109-F261 HydrophobicContact CG-CD1 4.3Å; F109-F261 AromaticContact CG-CE1 3.75Å; F109-F261 HydrophobicContact CG-CE1 3.75Å; F109-F261 HydrophobicContact CZ-CE1 4.24Å; I112-F261 HydrophobicContact CD1-CE1 4.08Å; I112-F261 HydrophobicContact CD1-CZ 3.75Å; V173-F261 HydrophobicContact CB-CD1 4.33Å; V173-F261 HydrophobicContact CG1-CB 3.81Å; V173-F261 HydrophobicContact CG1-CD1 4.04Å; V173-F261 HydrophobicContact CG1-CG 3.92Å; Y175-F261 HydrophobicContact CD1-CB 4.15Å; Y175-F261 HydrophobicContact CD1-CD1 4.47Å; Y175-F261 HydrophobicContact CE1-CB 4.21Å; Y175-F261 AromaticContact CE1-CD1 3.94Å; Y175-F261 HydrophobicContact CE1-CD1 3.94Å; W253-F261 HydrophobicContact CH2-CD2 4.43Å; W253-F261 AromaticContact CH2-CE2 3.68Å; W253-F261 HydrophobicContact CH2-CE2 3.68Å; W253-F261 HydrophobicContact CH2-CZ 4.29Å; W253-F261 HydrophobicContact CZ2-CE2 4.48Å; I258-F261 HydrophobicContact CD1-CB 4.34Å; I258-F261 HydrophobicContact CD1-CD2 4.48Å; I258-F261 CarbonylContact O-C 3.46Å; I258-F261 WeakPolarHBondContact O-CA 3.33Å; I258-F261 PolarHBondContact O-N 3.41Å; E259-F261 PolarHBondContact O-N 2.85Å; F261-G263 PolarHBondContact O-N 2.73Å; F261-G263 VanDerWaalsContact O-N 3.08Å
262	Q	94.8	Very high	97.2	Very high	68 Å²	68	30.8 Å²	30.8	32%	0.318	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	16.2	-178	-58.5	178.1	-22.5	0	0	114.8	Y175 R186 Y187 E259	Y175-Q262 HydrophobicContact CD2-CB 4.32Å; Y175-Q262 HydrophobicContact CD2-CG 4.45Å; Y175-Q262 HydrophobicContact CE2-CG 4.35Å; R186-Q262 CarbonylContact C-O 3.5Å; R186-Q262 VanDerWaalsContact CA-O 3.3Å; R186-Q262 WeakPolarHBondContact CA-O 3.42Å; Y187-Q262 HydrophobicContact CD2-CB 4.05Å; Y187-Q262 HydrophobicContact CE2-CB 4.17Å; Y187-Q262 PolarHBondContact N-O 2.8Å; E259-Q262 PolarHBondContact O-N 3.1Å; E259-Q262 VanDerWaalsContact O-N 3.14Å
263	G	97.2	Very high	97.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	147.5	172.9	0	0	0	0	0	112.4	Y187 V217 I258 E259 F261 P265	Y187-G263 CarbonylContact O-C 3.49Å; Y187-G263 WeakPolarHBondContact O-CA 3.31Å; V217-G263 VanDerWaalsContact CG2-CA 3.49Å; I258-G263 WeakPolarHBondContact O-CA 3.41Å; I258-G263 PolarHBondContact O-N 2.86Å; E259-G263 VanDerWaalsContact CA-O 3.29Å; E259-G263 WeakPolarHBondContact CA-O 3.42Å; F261-G263 PolarHBondContact O-N 2.73Å; F261-G263 VanDerWaalsContact O-N 3.08Å; G263-P265 VanDerWaalsContact O-CD 3.31Å; G263-P265 WeakPolarHBondContact O-CD 3.22Å
264	D	97.3	Very high	97.2	Very high	31 Å²	31	30.2 Å²	30.2	17%	0.166	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.4	169.5	-173.6	-13.8	0	0	0	109.1	R186 Y187 V189 D266 K267	R186-D264 HydrophobicContact CB-CB 3.87Å; Y187-D264 PolarHBondContact O-N 3.26Å; V189-D264 WeakPolarHBondContact CG2-O 3.42Å; D264-D266 PolarHBondContact O-N 3.44Å; D264-D266 VanDerWaalsContact O-N 3.13Å; D264-D266 PolarHBondContact OD1-N 3.47Å; D264-K267 HydrophobicContact CB-CB 4.12Å; D264-K267 PolarHBondContact O-N 2.59Å; D264-K267 VanDerWaalsContact O-N 3.11Å; D264-K267 WeakPolarHBondContact OD2-CD 3.38Å; D264-K267 WeakPolarHBondContact OD2-CG 3.38Å
265	P	96.9	Very high	97.1	Very high	24 Å²	24	30.1 Å²	30.1	16%	0.156	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-16.3	-179.1	28.9	-35.5	0	0	0	112.7	K255 I258 G263 I268	K255-P265 HydrophobicContact CD-CB 4.36Å; K255-P265 WeakPolarHBondContact CD-O 3.5Å; K255-P265 WeakPolarHBondContact CE-O 3.32Å; K255-P265 PolarHBondContact NZ-O 2.86Å; K255-P265 WeakPolarHBondContact O-CB 3.4Å; I258-P265 HydrophobicContact CG2-CB 4.17Å; G263-P265 VanDerWaalsContact O-CD 3.31Å; G263-P265 WeakPolarHBondContact O-CD 3.22Å; P265-I268 WeakPolarHBondContact O-CD1 3.44Å
266	D	96.7	Very high	97.2	Very high	102 Å²	102	27.9 Å²	27.9	55%	0.545	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	4.5	179	-63.6	-39.4	0	0	0	113.3	K255 D264 N296	K255-D266 IonicContact NZ-OD1 3.77Å; K255-D266 PolarHBondContact NZ-OD1 3.29Å; D264-D266 PolarHBondContact O-N 3.44Å; D264-D266 VanDerWaalsContact O-N 3.13Å; D264-D266 PolarHBondContact OD1-N 3.47Å; D266-N296 PolarHBondContact O-ND2 2.83Å; D266-N296 PolarHBondContact O-OD1 2.87Å
267	K	97.5	Very high	97.4	Very high	103 Å²	103	23.3 Å²	23.3	45%	0.448	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	66	172.9	-65.5	-174.2	-175.9	179.2	0	111.1	P188 V189 D264	P188-K267 HydrophobicContact CB-CB 4.36Å; P188-K267 HydrophobicContact CG-CD 4.3Å; V189-K267 PolarHBondContact N-O 3.47Å; D264-K267 HydrophobicContact CB-CB 4.12Å; D264-K267 PolarHBondContact O-N 2.59Å; D264-K267 VanDerWaalsContact O-N 3.11Å; D264-K267 WeakPolarHBondContact OD2-CD 3.38Å; D264-K267 WeakPolarHBondContact OD2-CG 3.38Å
268	I	98.7	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.4	176.8	-65.5	169.1	0	0	0	110	V189 V191 V254 K255 P265 L270 L294 F295 N296 Q297	V189-I268 HydrophobicContact CB-CG1 4.08Å; V189-I268 HydrophobicContact CG1-CG1 4.49Å; V189-I268 HydrophobicContact CG2-CG1 4.46Å; V191-I268 HydrophobicContact CG2-CG2 3.83Å; V254-I268 HydrophobicContact CG1-CD1 4.05Å; K255-I268 HydrophobicContact CB-CD1 4.06Å; K255-I268 HydrophobicContact CD-CD1 3.88Å; P265-I268 WeakPolarHBondContact O-CD1 3.44Å; I268-L270 HydrophobicContact CG2-CD2 4.34Å; I268-L294 WeakPolarHBondContact CD1-O 3.3Å; I268-F295 HydrophobicContact CB-CB 4.39Å; I268-F295 HydrophobicContact CG2-CB 4.02Å; I268-N296 PolarHBondContact N-OD1 3.38Å; I268-N296 PolarHBondContact O-N 2.81Å; I268-Q297 PolarHBondContact O-N 3.43Å
269	T	98.8	Very high	97.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.1	174.2	-54.1	0	0	0	0	109	V189 I190 V191 Q297 I299 F630 V631	V189-T269 PolarHBondContact O-N 3.27Å; I190-T269 WeakPolarHBondContact CA-O 3.47Å; V191-T269 PolarHBondContact N-O 3.05Å; T269-Q297 WeakPolarHBondContact CA-O 3.26Å; T269-Q297 HydrophobicContact CG2-CB 3.75Å; T269-Q297 PolarHBondContact OG1-OE1 2.83Å; T269-I299 HydrophobicContact CG2-CD1 3.84Å; T269-I299 HydrophobicContact CG2-CG1 3.71Å; T269-F630 HydrophobicContact CG2-CE1 4.36Å; T269-V631 HydrophobicContact CG2-CG2 4.14Å
270	L	98.9	Very high	97.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.7	170	-58.8	-172.6	0	0	0	108.8	V191 I251 I268 V280 H283 F295 Q297 A298 I299	V191-L270 HydrophobicContact CB-CD2 3.98Å; V191-L270 HydrophobicContact CG1-CD2 4.32Å; I251-L270 HydrophobicContact CD1-CD1 4.04Å; I251-L270 HydrophobicContact CD1-CD2 3.82Å; I251-L270 HydrophobicContact CG1-CD2 3.88Å; I251-L270 HydrophobicContact CG2-CD2 4.2Å; I268-L270 HydrophobicContact CG2-CD2 4.34Å; L270-V280 HydrophobicContact CB-CG1 4.12Å; L270-V280 HydrophobicContact CB-CG2 4.05Å; L270-H283 HydrophobicContact CD1-CB 3.95Å; L270-F295 HydrophobicContact CD1-CB 4.25Å; L270-F295 HydrophobicContact CD1-CD1 3.54Å; L270-F295 HydrophobicContact CD1-CD2 4.22Å; L270-F295 HydrophobicContact CD1-CE1 3.9Å; L270-F295 HydrophobicContact CD1-CG 3.73Å; L270-F295 HydrophobicContact CD1-CZ 4.4Å; L270-F295 HydrophobicContact CD2-CB 4.14Å; L270-F295 HydrophobicContact CG-CB 3.74Å; L270-F295 HydrophobicContact CG-CD1 4.02Å; L270-F295 HydrophobicContact CG-CD2 4.2Å; L270-F295 HydrophobicContact CG-CG 3.71Å; L270-Q297 PolarHBondContact N-O 2.99Å; L270-A298 CarbonylContact O-C 3.53Å; L270-A298 VanDerWaalsContact O-CA 3.3Å; L270-A298 WeakPolarHBondContact O-CA 3.43Å; L270-I299 PolarHBondContact O-N 3.24Å
271	M	98.9	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136	179.3	179.7	174.6	84.3	0	0	109.6	I190 V191 H192 I193 L211 I299 M301 L582 F583	I190-M271 HydrophobicContact CG2-CB 3.86Å; I190-M271 HydrophobicContact CG2-CE 3.77Å; I190-M271 HydrophobicContact CG2-SD 4.12Å; V191-M271 PolarHBondContact O-N 3.12Å; H192-M271 CarbonylContact C-O 3.51Å; H192-M271 WeakPolarHBondContact CA-O 3.34Å; H192-M271 HydrophobicContact CB-CE 3.99Å; H192-M271 VanDerWaalsContact ND1-CE 3.32Å; H192-M271 WeakPolarHBondContact ND1-CE 3.44Å; H192-M271 PolarHBondContact ND1-O 3.38Å; H192-M271 VanDerWaalsContact ND1-O 3.08Å; I193-M271 PolarHBondContact N-O 3.34Å; L211-M271 HydrophobicContact CD1-CE 4.28Å; M271-I299 WeakPolarHBondContact CA-O 3.47Å; M271-I299 HydrophobicContact CB-CB 4.01Å; M271-I299 HydrophobicContact CB-CD1 4.39Å; M271-I299 HydrophobicContact CG-CB 3.82Å; M271-I299 HydrophobicContact CG-CD1 4.28Å; M271-I299 HydrophobicContact CG-CG2 3.92Å; M271-I299 HydrophobicContact SD-CD1 4.09Å; M271-I299 HydrophobicContact SD-CG2 4.45Å; M271-M301 HydrophobicContact CG-CE 4.35Å; M271-L582 HydrophobicContact SD-CD2 4.45Å; M271-F583 HydrophobicContact CE-CE1 4.41Å; M271-F583 HydrophobicContact CE-CE2 4.4Å; M271-F583 HydrophobicContact CE-CZ 3.71Å
272	G	98.7	Very high	97.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	159.4	175.4	0	0	0	0	0	112.3	I193 A277 I299 M301	I193-G272 WeakPolarHBondContact O-CA 3.23Å; G272-A277 WeakPolarHBondContact O-CB 3.2Å; G272-I299 PolarHBondContact N-O 2.8Å; G272-M301 PolarHBondContact O-N 2.71Å
273	E	97.9	Very high	98	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.1	172.1	177.3	-93	169.6	0	0	110.7	G195 A275 G276 A277 M301 H575 L579 Y829	G195-E273 WeakPolarHBondContact CA-O 3.42Å; G195-E273 PolarHBondContact N-O 3.44Å; E273-A275 PolarHBondContact O-N 2.97Å; E273-G276 VanDerWaalsContact O-CA 3.24Å; E273-G276 WeakPolarHBondContact O-CA 3.25Å; E273-G276 PolarHBondContact O-N 2.98Å; E273-A277 PolarHBondContact O-N 2.71Å; E273-M301 CarbonylContact C-O 3.6Å; E273-M301 WeakPolarHBondContact CA-O 3.32Å; E273-M301 HydrophobicContact CB-CB 4.24Å; E273-M301 HydrophobicContact CB-CE 3.81Å; E273-M301 HydrophobicContact CG-CB 4.4Å; E273-H575 IonicContact OE1-CD2 2.99Å; E273-H575 IonicContact OE1-CE1 2.65Å; E273-H575 IonicContact OE1-NE2 3.73Å; E273-H575 PolarHBondContact OE1-NE2 3.12Å; E273-L579 HydrophobicContact CB-CD1 4.24Å; E273-L579 HydrophobicContact CB-CD2 4Å; E273-L579 HydrophobicContact CG-CD1 3.73Å; E273-L579 HydrophobicContact CG-CD2 3.98Å; E273-L579 HydrophobicContact CG-CG 4.25Å; E273-Y829 WeakPolarHBondContact OE1-CE2 3.41Å; E273-Y829 VanDerWaalsContact OE2-CZ 3.26Å; E273-Y829 PolarHBondContact OE2-OH 2.72Å
274	S	97.5	Very high	98	Very high	5 Å²	5	12.7 Å²	12.7	4%	0.035	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-125.3	178.7	-169.2	0	0	0	0	111.3	G276 A277 A278 M301 S302 H575	S274-G276 PolarHBondContact O-N 3.23Å; S274-A277 WeakPolarHBondContact O-CA 3.03Å; S274-A277 WeakPolarHBondContact O-CB 3.32Å; S274-A277 PolarHBondContact O-N 3.09Å; S274-A278 PolarHBondContact O-N 2.74Å; S274-M301 PolarHBondContact N-O 2.73Å; S274-S302 WeakPolarHBondContact CA-O 3.39Å; S274-H575 WeakPolarHBondContact CB-NE2 3.32Å; S274-H575 PolarHBondContact OG-NE2 2.85Å
275	A	97.3	Very high	97.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-56.4	-27.1	172	0	0	0	0	0	114.4	Y198 E273 S279 W309	Y198-A275 HydrophobicContact CD1-CB 4.03Å; Y198-A275 HydrophobicContact CD2-CB 3.86Å; Y198-A275 HydrophobicContact CE1-CB 4.02Å; Y198-A275 HydrophobicContact CE2-CB 3.84Å; Y198-A275 HydrophobicContact CG-CB 3.97Å; Y198-A275 PolarHBondContact OH-O 2.9Å; E273-A275 PolarHBondContact O-N 2.97Å; A275-S279 WeakPolarHBondContact O-CB 3.41Å; A275-S279 PolarHBondContact O-N 3.45Å; A275-S279 PolarHBondContact O-OG 2.73Å; A275-W309 HydrophobicContact CB-CZ3 4.19Å
276	G	98.6	Very high	97.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-68.8	-39.7	170.6	0	0	0	0	0	112.1	I193 H194 E273 S274 S279 V280	I193-G276 WeakPolarHBondContact O-CA 3.42Å; H194-G276 WeakPolarHBondContact O-CA 3.44Å; E273-G276 VanDerWaalsContact O-CA 3.24Å; E273-G276 WeakPolarHBondContact O-CA 3.25Å; E273-G276 PolarHBondContact O-N 2.98Å; S274-G276 PolarHBondContact O-N 3.23Å; G276-S279 VanDerWaalsContact O-CB 3.32Å; G276-S279 WeakPolarHBondContact O-CB 3.45Å; G276-S279 PolarHBondContact O-N 2.63Å; G276-V280 WeakPolarHBondContact O-CG2 3Å; G276-V280 PolarHBondContact O-N 3.47Å
277	A	98.8	Very high	97.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-68.3	-41.7	174.4	0	0	0	0	0	111.2	G272 E273 S274 S279 V280 G281 M300 M301 G303	G272-A277 WeakPolarHBondContact O-CB 3.2Å; E273-A277 PolarHBondContact O-N 2.71Å; S274-A277 WeakPolarHBondContact O-CA 3.03Å; S274-A277 WeakPolarHBondContact O-CB 3.32Å; S274-A277 PolarHBondContact O-N 3.09Å; A277-S279 VanDerWaalsContact C-N 3.28Å; A277-S279 PolarHBondContact O-N 3.34Å; A277-V280 WeakPolarHBondContact O-CB 3.47Å; A277-V280 PolarHBondContact O-N 3.3Å; A277-V280 VanDerWaalsContact O-N 3.15Å; A277-G281 PolarHBondContact O-N 3.29Å; A277-M300 HydrophobicContact CB-CB 4.14Å; A277-M300 WeakPolarHBondContact O-CE 3.46Å; A277-M301 WeakPolarHBondContact CB-O 3.26Å; A277-G303 VanDerWaalsContact CB-O 3.24Å; A277-G303 WeakPolarHBondContact CB-O 3.26Å
278	A	98.2	Very high	97.1	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-58.5	-41.6	170.8	0	0	0	0	0	111.5	Y198 S274 V280 G281 L282 W309 A310	Y198-A278 VanDerWaalsContact OH-CB 3.29Å; Y198-A278 WeakPolarHBondContact OH-CB 3.38Å; S274-A278 PolarHBondContact O-N 2.74Å; A278-V280 PolarHBondContact O-N 3.04Å; A278-G281 CarbonylContact O-C 3.56Å; A278-G281 WeakPolarHBondContact O-CA 3.49Å; A278-G281 PolarHBondContact O-N 2.87Å; A278-G281 VanDerWaalsContact O-N 3.13Å; A278-L282 WeakPolarHBondContact O-CG 3.37Å; A278-L282 PolarHBondContact O-N 3.41Å; A278-W309 HydrophobicContact CB-CH2 3.94Å; A278-W309 HydrophobicContact CB-CZ3 3.88Å; A278-A310 HydrophobicContact CB-CB 3.77Å
279	S	98.6	Very high	96.7	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-59.8	-44.1	172.9	-63	0	0	0	0	112.4	Y198 Q247 A275 G276 A277 G281 L282 H283	Y198-S279 VanDerWaalsContact CE1-OG 3.32Å; Y198-S279 WeakPolarHBondContact CE1-OG 3.38Å; Y198-S279 PolarHBondContact OH-N 2.86Å; Q247-S279 PolarHBondContact NE2-OG 3.4Å; Q247-S279 PolarHBondContact OE1-OG 2.98Å; A275-S279 WeakPolarHBondContact O-CB 3.41Å; A275-S279 PolarHBondContact O-N 3.45Å; A275-S279 PolarHBondContact O-OG 2.73Å; G276-S279 VanDerWaalsContact O-CB 3.32Å; G276-S279 WeakPolarHBondContact O-CB 3.45Å; G276-S279 PolarHBondContact O-N 2.63Å; A277-S279 VanDerWaalsContact C-N 3.28Å; A277-S279 PolarHBondContact O-N 3.34Å; S279-G281 VanDerWaalsContact C-N 3.3Å; S279-G281 PolarHBondContact O-N 2.82Å; S279-L282 PolarHBondContact O-N 2.78Å; S279-L282 VanDerWaalsContact O-N 3.15Å; S279-H283 PolarHBondContact O-CD2 3.36Å; S279-H283 PolarHBondContact O-N 3.16Å
280	V	98.7	Very high	96.3	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-56.8	-46.2	172.5	172.4	0	0	0	0	110.3	I193 L270 G276 A277 A278 L282 H283 L284 A298 M300	I193-V280 HydrophobicContact CD1-CG2 4.04Å; I193-V280 HydrophobicContact CG1-CG2 4.49Å; L270-V280 HydrophobicContact CB-CG1 4.12Å; L270-V280 HydrophobicContact CB-CG2 4.05Å; G276-V280 WeakPolarHBondContact O-CG2 3Å; G276-V280 PolarHBondContact O-N 3.47Å; A277-V280 WeakPolarHBondContact O-CB 3.47Å; A277-V280 PolarHBondContact O-N 3.3Å; A277-V280 VanDerWaalsContact O-N 3.15Å; A278-V280 PolarHBondContact O-N 3.04Å; V280-L282 VanDerWaalsContact C-N 3.35Å; V280-L282 PolarHBondContact O-N 3.06Å; V280-H283 WeakPolarHBondContact O-CB 3.42Å; V280-H283 PolarHBondContact O-N 2.91Å; V280-L284 WeakPolarHBondContact O-CG 3.13Å; V280-L284 PolarHBondContact O-N 3.17Å; V280-A298 HydrophobicContact CG1-CB 3.8Å; V280-M300 HydrophobicContact CB-CG 4.15Å; V280-M300 HydrophobicContact CG1-CG 3.83Å; V280-M300 HydrophobicContact CG1-SD 4.45Å
281	G	97.8	Very high	95.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-55.1	-45.8	173.3	0	0	0	0	0	113.4	A277 A278 S279 H283 L284 I285 D305	A277-G281 PolarHBondContact O-N 3.29Å; A278-G281 CarbonylContact O-C 3.56Å; A278-G281 WeakPolarHBondContact O-CA 3.49Å; A278-G281 PolarHBondContact O-N 2.87Å; A278-G281 VanDerWaalsContact O-N 3.13Å; S279-G281 VanDerWaalsContact C-N 3.3Å; S279-G281 PolarHBondContact O-N 2.82Å; G281-H283 PolarHBondContact O-N 3.2Å; G281-L284 WeakPolarHBondContact O-CB 3.37Å; G281-L284 PolarHBondContact O-N 2.88Å; G281-L284 VanDerWaalsContact O-N 3.12Å; G281-I285 PolarHBondContact O-N 3.29Å; G281-D305 VanDerWaalsContact CA-OD1 3.3Å; G281-D305 WeakPolarHBondContact CA-OD1 3.22Å
282	L	97.5	Very high	95.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.4	-36.5	177.2	-66.8	173.3	0	0	0	112.4	L244 A278 S279 V280 L284 I285 S286 D305 P420 F429 P433	L244-L282 HydrophobicContact CD1-CD1 4.02Å; L244-L282 HydrophobicContact CD2-CD1 4.2Å; A278-L282 WeakPolarHBondContact O-CG 3.37Å; A278-L282 PolarHBondContact O-N 3.41Å; S279-L282 PolarHBondContact O-N 2.78Å; S279-L282 VanDerWaalsContact O-N 3.15Å; V280-L282 VanDerWaalsContact C-N 3.35Å; V280-L282 PolarHBondContact O-N 3.06Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-I285 HydrophobicContact CD2-CD1 4Å; L282-I285 VanDerWaalsContact O-CG1 3.28Å; L282-I285 WeakPolarHBondContact O-CG1 3.4Å; L282-I285 PolarHBondContact O-N 3.04Å; L282-S286 VanDerWaalsContact O-CB 3.23Å; L282-S286 WeakPolarHBondContact O-CB 3.19Å; L282-S286 PolarHBondContact O-N 3.28Å; L282-D305 HydrophobicContact CD2-CB 3.85Å; L282-D305 HydrophobicContact CG-CB 3.98Å; L282-P420 HydrophobicContact CD1-CB 3.8Å; L282-P420 HydrophobicContact CD1-CG 3.67Å; L282-F429 HydrophobicContact CD1-CE1 4.13Å; L282-F429 HydrophobicContact CD2-CD1 3.97Å; L282-F429 HydrophobicContact CD2-CE1 3.73Å; L282-F429 HydrophobicContact CD2-CZ 4.07Å; L282-F429 HydrophobicContact CG-CE1 4.37Å; L282-P433 HydrophobicContact CD2-CG 3.84Å
283	H	97.9	Very high	94.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.6	-31.9	171.6	-81.7	-69.1	0	0	0	112.9	Q247 L270 S279 V280 G281 T289 F428	Q247-H283 WeakPolarHBondContact CB-NE2 3.22Å; Q247-H283 PolarHBondContact OE1-NE2 2.94Å; L270-H283 HydrophobicContact CD1-CB 3.95Å; S279-H283 PolarHBondContact O-CD2 3.36Å; S279-H283 PolarHBondContact O-N 3.16Å; V280-H283 WeakPolarHBondContact O-CB 3.42Å; V280-H283 PolarHBondContact O-N 2.91Å; G281-H283 PolarHBondContact O-N 3.2Å; H283-T289 HydrophobicContact CB-CG2 4.07Å; H283-T289 WeakPolarHBondContact ND1-CG2 3.06Å; H283-T289 PolarHBondContact ND1-OG1 3.35Å; H283-T289 WeakPolarHBondContact O-CB 3.26Å; H283-F428 AromaticContact CE1-CZ 3.54Å; H283-F428 AromaticContact ND1-CZ 3.65Å
284	L	96.1	Very high	94.8	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.3	-36.6	175.8	-68.9	172.6	0	0	0	112.3	V280 G281 L282 F295 A298 M300 F442 A443 V445	V280-L284 WeakPolarHBondContact O-CG 3.13Å; V280-L284 PolarHBondContact O-N 3.17Å; G281-L284 WeakPolarHBondContact O-CB 3.37Å; G281-L284 PolarHBondContact O-N 2.88Å; G281-L284 VanDerWaalsContact O-N 3.12Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L284-F295 HydrophobicContact CD2-CE2 3.48Å; L284-F295 VanDerWaalsContact CD2-CE2 3.48Å; L284-F295 HydrophobicContact CD2-CZ 3.73Å; L284-A298 HydrophobicContact CD1-CB 4.13Å; L284-A298 HydrophobicContact CD2-CB 4.02Å; L284-A298 HydrophobicContact CG-CB 4.45Å; L284-M300 HydrophobicContact CD1-SD 4.07Å; L284-F442 CarbonylContact O-C 3.58Å; L284-F442 VanDerWaalsContact O-CA 3.25Å; L284-F442 WeakPolarHBondContact O-CA 3.22Å; L284-A443 HydrophobicContact CD2-CB 3.8Å; L284-A443 PolarHBondContact O-N 3.09Å; L284-V445 HydrophobicContact CD2-CG2 3.8Å
285	I	94.6	Very high	94.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-88.9	-27.9	-179.1	66	172.5	0	0	0	112.8	G281 L282 P287 R290 F429 P433 E436 R437 F442	G281-I285 PolarHBondContact O-N 3.29Å; L282-I285 HydrophobicContact CD2-CD1 4Å; L282-I285 VanDerWaalsContact O-CG1 3.28Å; L282-I285 WeakPolarHBondContact O-CG1 3.4Å; L282-I285 PolarHBondContact O-N 3.04Å; I285-P287 WeakPolarHBondContact O-CD 3.38Å; I285-R290 PolarHBondContact O-NE 3.01Å; I285-F429 HydrophobicContact CD1-CB 4.36Å; I285-P433 HydrophobicContact CD1-CB 3.79Å; I285-P433 HydrophobicContact CD1-CG 3.79Å; I285-E436 HydrophobicContact CB-CB 4.03Å; I285-E436 HydrophobicContact CB-CG 4.43Å; I285-E436 HydrophobicContact CD1-CB 4.49Å; I285-E436 HydrophobicContact CD1-CG 4.5Å; I285-E436 HydrophobicContact CG2-CB 4.2Å; I285-R437 HydrophobicContact CG2-CG 4.13Å; I285-F442 HydrophobicContact CG2-CB 4.04Å
286	S	94.5	Very high	94.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.115	C	C	.	.			trans	-64.3	120.1	-176.9	175.4	0	0	0	0	111.7	L282 L288 T289 R290 F428	L282-S286 VanDerWaalsContact O-CB 3.23Å; L282-S286 WeakPolarHBondContact O-CB 3.19Å; L282-S286 PolarHBondContact O-N 3.28Å; S286-L288 PolarHBondContact O-N 3.19Å; S286-L288 PolarHBondContact OG-N 3.45Å; S286-T289 PolarHBondContact O-N 3.44Å; S286-T289 VanDerWaalsContact O-N 3.1Å; S286-R290 WeakPolarHBondContact O-CG 3.43Å; S286-R290 PolarHBondContact O-N 2.89Å; S286-F428 VanDerWaalsContact CB-O 3.3Å; S286-F428 WeakPolarHBondContact CB-O 3.16Å; S286-F428 PolarHBondContact OG-O 3.31Å
287	P	90.8	Very high	94.7	Very high	28 Å²	28	27.3 Å²	27.3	18%	0.182	12%	0.12	C	C	.	.	H	α-helix	trans	-54.2	-37.6	173.8	-24.1	33.6	0	0	0	112.4	I285 T289 E291	I285-P287 WeakPolarHBondContact O-CD 3.38Å; P287-T289 PolarHBondContact O-N 2.98Å; P287-E291 VanDerWaalsContact O-CB 3.25Å; P287-E291 WeakPolarHBondContact O-CB 3.49Å; P287-E291 WeakPolarHBondContact O-CG 3.4Å; P287-E291 PolarHBondContact O-N 3.25Å
288	L	89.6	Confident	94.7	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-60.4	-32	-179	-60.4	176.8	0	0	0	113.1	F41 W245 L248 S286 R292 F428	F41-L288 HydrophobicContact CD1-CD2 4.04Å; F41-L288 HydrophobicContact CE1-CD2 4.03Å; W245-L288 HydrophobicContact CH2-CD1 3.29Å; W245-L288 HydrophobicContact CZ2-CD1 3.62Å; W245-L288 HydrophobicContact CZ3-CD1 3.91Å; L248-L288 HydrophobicContact CD2-CB 4.05Å; L248-L288 HydrophobicContact CD2-CD1 4.39Å; S286-L288 PolarHBondContact O-N 3.19Å; S286-L288 PolarHBondContact OG-N 3.45Å; L288-R292 WeakPolarHBondContact O-CD 3.29Å; L288-R292 VanDerWaalsContact O-CG 3.26Å; L288-R292 WeakPolarHBondContact O-CG 3.46Å; L288-R292 PolarHBondContact O-NE 3.13Å; L288-R292 VanDerWaalsContact O-NE 3.09Å; L288-F428 HydrophobicContact CD1-CD2 4.39Å
289	T	91.8	Very high	94.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-95.2	-49.9	-179.5	-42.2	0	0	0	0	110.8	L248 H283 S286 P287 E291 R292 L294 F295	L248-T289 HydrophobicContact CD1-CG2 4.15Å; H283-T289 HydrophobicContact CB-CG2 4.07Å; H283-T289 WeakPolarHBondContact ND1-CG2 3.06Å; H283-T289 PolarHBondContact ND1-OG1 3.35Å; H283-T289 WeakPolarHBondContact O-CB 3.26Å; S286-T289 PolarHBondContact O-N 3.44Å; S286-T289 VanDerWaalsContact O-N 3.1Å; P287-T289 PolarHBondContact O-N 2.98Å; T289-E291 PolarHBondContact O-N 3.42Å; T289-R292 PolarHBondContact O-N 3.05Å; T289-L294 HydrophobicContact CG2-CD1 4.09Å; T289-F295 HydrophobicContact CG2-CD1 3.98Å; T289-F295 HydrophobicContact CG2-CE1 3.6Å
290	R	90.4	Very high	94.7	Very high	62 Å²	62	27.3 Å²	27.3	23%	0.234	12%	0.12	C	C	.	.	H	α-helix	trans	-68	-33.9	-173.1	75.7	-175.9	170.4	58.3	10.6	113.5	I285 S286 R292 A443	I285-R290 PolarHBondContact O-NE 3.01Å; S286-R290 WeakPolarHBondContact O-CG 3.43Å; S286-R290 PolarHBondContact O-N 2.89Å; R290-R292 VanDerWaalsContact C-N 3.3Å; R290-R292 PolarHBondContact O-N 3.44Å; R290-A443 HydrophobicContact CB-CB 3.98Å
291	E	86.9	Confident	94.7	Very high	106 Å²	106	27.3 Å²	27.3	50%	0.495	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.6	-176.8	-59	179.1	178.3	0	0	113	P287 T289	P287-E291 VanDerWaalsContact O-CB 3.25Å; P287-E291 WeakPolarHBondContact O-CB 3.49Å; P287-E291 WeakPolarHBondContact O-CG 3.4Å; P287-E291 PolarHBondContact O-N 3.25Å; T289-E291 PolarHBondContact O-N 3.42Å
292	R	89.1	Confident	94.7	Very high	82 Å²	82	27.3 Å²	27.3	31%	0.309	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1	176.5	-66.3	-174.6	-166.8	-137.3	-6.2	113.4	F41 L288 T289 R290 L294	F41-R292 PolarHBondContact O-NH2 3Å; L288-R292 WeakPolarHBondContact O-CD 3.29Å; L288-R292 VanDerWaalsContact O-CG 3.26Å; L288-R292 WeakPolarHBondContact O-CG 3.46Å; L288-R292 PolarHBondContact O-NE 3.13Å; L288-R292 VanDerWaalsContact O-NE 3.09Å; T289-R292 PolarHBondContact O-N 3.05Å; R290-R292 VanDerWaalsContact C-N 3.3Å; R290-R292 PolarHBondContact O-N 3.44Å; R292-L294 HydrophobicContact CB-CD1 4.14Å; R292-L294 HydrophobicContact CB-CD2 4.05Å; R292-L294 HydrophobicContact CB-CG 3.7Å; R292-L294 PolarHBondContact O-N 3.23Å
293	Y	89.9	Confident	94.7	Very high	182 Å²	182	27.3 Å²	27.3	71%	0.714	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	42.7	180	-54.8	-81.9	0	0	0	112.9	F295	Y293-F295 VanDerWaalsContact C-N 3.29Å; Y293-F295 PolarHBondContact O-N 2.92Å
294	L	95.5	Very high	94.7	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.052	12%	0.12	C	C	.	.			trans	-77	-16.2	-175.8	-63.6	178.9	0	0	0	113.6	L248 I251 K255 I268 T289 R292	L248-L294 HydrophobicContact CD1-CD1 3.64Å; I251-L294 HydrophobicContact CG2-CB 3.78Å; I251-L294 HydrophobicContact CG2-CD1 4.14Å; K255-L294 HydrophobicContact CB-CD2 4.08Å; K255-L294 HydrophobicContact CG-CD2 4Å; I268-L294 WeakPolarHBondContact CD1-O 3.3Å; T289-L294 HydrophobicContact CG2-CD1 4.09Å; R292-L294 HydrophobicContact CB-CD1 4.14Å; R292-L294 HydrophobicContact CB-CD2 4.05Å; R292-L294 HydrophobicContact CB-CG 3.7Å; R292-L294 PolarHBondContact O-N 3.23Å
295	F	97.7	Very high	94.7	Very high	10 Å²	10	27.3 Å²	27.3	4%	0.044	12%	0.12	C	C	.	.			trans	-150.9	163.5	-179.2	65.5	-87	0	0	0	110.3	I268 L270 L284 T289 Y293 A443 V445	I268-F295 HydrophobicContact CB-CB 4.39Å; I268-F295 HydrophobicContact CG2-CB 4.02Å; L270-F295 HydrophobicContact CD1-CB 4.25Å; L270-F295 HydrophobicContact CD1-CD1 3.54Å; L270-F295 HydrophobicContact CD1-CD2 4.22Å; L270-F295 HydrophobicContact CD1-CE1 3.9Å; L270-F295 HydrophobicContact CD1-CG 3.73Å; L270-F295 HydrophobicContact CD1-CZ 4.4Å; L270-F295 HydrophobicContact CD2-CB 4.14Å; L270-F295 HydrophobicContact CG-CB 3.74Å; L270-F295 HydrophobicContact CG-CD1 4.02Å; L270-F295 HydrophobicContact CG-CD2 4.2Å; L270-F295 HydrophobicContact CG-CG 3.71Å; L284-F295 HydrophobicContact CD2-CE2 3.48Å; L284-F295 VanDerWaalsContact CD2-CE2 3.48Å; L284-F295 HydrophobicContact CD2-CZ 3.73Å; T289-F295 HydrophobicContact CG2-CD1 3.98Å; T289-F295 HydrophobicContact CG2-CE1 3.6Å; Y293-F295 VanDerWaalsContact C-N 3.29Å; Y293-F295 PolarHBondContact O-N 2.92Å; F295-A443 HydrophobicContact CE2-CB 3.98Å; F295-A443 HydrophobicContact CZ-CB 3.79Å; F295-V445 HydrophobicContact CD2-CG2 4.44Å; F295-V445 HydrophobicContact CE2-CG1 4.31Å; F295-V445 HydrophobicContact CE2-CG2 3.95Å
296	N	96.5	Very high	94.7	Very high	64 Å²	64	28.9 Å²	28.9	34%	0.342	13%	0.128	S	C	.	.	S	Bend	trans	-127.2	-12	-171.5	-56.6	82.7	0	0	0	112.7	D266 I268 V445 P446	D266-N296 PolarHBondContact O-ND2 2.83Å; D266-N296 PolarHBondContact O-OD1 2.87Å; I268-N296 PolarHBondContact N-OD1 3.38Å; I268-N296 PolarHBondContact O-N 2.81Å; N296-V445 VanDerWaalsContact O-CB 3.27Å; N296-V445 WeakPolarHBondContact O-CB 3.36Å; N296-V445 WeakPolarHBondContact O-CG1 3.32Å; N296-P446 WeakPolarHBondContact O-CD 3.24Å
297	Q	97.9	Very high	94.6	Very high	21 Å²	21	28.9 Å²	28.9	10%	0.098	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.6	-179.8	-59.1	-179.3	-22	0	0	110.4	I268 T269 L270 P446 F630 V631 G634	I268-Q297 PolarHBondContact O-N 3.43Å; T269-Q297 WeakPolarHBondContact CA-O 3.26Å; T269-Q297 HydrophobicContact CG2-CB 3.75Å; T269-Q297 PolarHBondContact OG1-OE1 2.83Å; L270-Q297 PolarHBondContact N-O 2.99Å; Q297-P446 HydrophobicContact CG-CB 4.07Å; Q297-P446 HydrophobicContact CG-CG 4.17Å; Q297-F630 HydrophobicContact CB-CE1 4.29Å; Q297-F630 PolarHBondContact NE2-O 3.17Å; Q297-F630 PolarHBondContact OE1-O 3.23Å; Q297-V631 PolarHBondContact OE1-O 2.89Å; Q297-G634 VanDerWaalsContact NE2-CA 3.25Å
298	A	98.6	Very high	94.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.1	175.5	0	0	0	0	0	112.4	L270 V280 L284 V445 P446 L447 L448	L270-A298 CarbonylContact O-C 3.53Å; L270-A298 VanDerWaalsContact O-CA 3.3Å; L270-A298 WeakPolarHBondContact O-CA 3.43Å; V280-A298 HydrophobicContact CG1-CB 3.8Å; L284-A298 HydrophobicContact CD1-CB 4.13Å; L284-A298 HydrophobicContact CD2-CB 4.02Å; L284-A298 HydrophobicContact CG-CB 4.45Å; A298-V445 HydrophobicContact CB-CG2 4.37Å; A298-P446 PolarHBondContact N-O 3.32Å; A298-L447 HydrophobicContact CB-CD1 4.01Å; A298-L447 WeakPolarHBondContact O-CA 3.5Å; A298-L448 PolarHBondContact O-N 3.22Å
299	I	98.9	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.6	172	-54.5	177.1	0	0	0	108.6	T269 L270 M271 G272 M301 L448 F630 V631	T269-I299 HydrophobicContact CG2-CD1 3.84Å; T269-I299 HydrophobicContact CG2-CG1 3.71Å; L270-I299 PolarHBondContact O-N 3.24Å; M271-I299 WeakPolarHBondContact CA-O 3.47Å; M271-I299 HydrophobicContact CB-CB 4.01Å; M271-I299 HydrophobicContact CB-CD1 4.39Å; M271-I299 HydrophobicContact CG-CB 3.82Å; M271-I299 HydrophobicContact CG-CD1 4.28Å; M271-I299 HydrophobicContact CG-CG2 3.92Å; M271-I299 HydrophobicContact SD-CD1 4.09Å; M271-I299 HydrophobicContact SD-CG2 4.45Å; G272-I299 PolarHBondContact N-O 2.8Å; I299-M301 HydrophobicContact CG2-CG 3.95Å; I299-M301 HydrophobicContact CG2-SD 4.16Å; I299-L448 CarbonylContact C-O 3.56Å; I299-L448 WeakPolarHBondContact CA-O 3.25Å; I299-L448 HydrophobicContact CD1-CD2 4.43Å; I299-L448 HydrophobicContact CG1-CB 4.2Å; I299-L448 HydrophobicContact CG1-CD2 4.45Å; I299-L448 HydrophobicContact CG2-CB 4.4Å; I299-L448 HydrophobicContact CG2-CD2 4.19Å; I299-L448 HydrophobicContact CG2-CG 4.32Å; I299-F630 HydrophobicContact CD1-CD1 3.81Å; I299-F630 HydrophobicContact CD1-CE1 4.17Å; I299-F630 HydrophobicContact CG1-CD1 3.76Å; I299-F630 HydrophobicContact CG1-CE1 3.6Å; I299-V631 HydrophobicContact CD1-CG2 3.96Å
300	M	98.8	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	107.7	-177.6	-67.6	176.9	64.2	0	0	110.7	A277 V280 L284 G303 A304 L447 L448 A449 G450 L538 I541	A277-M300 HydrophobicContact CB-CB 4.14Å; A277-M300 WeakPolarHBondContact O-CE 3.46Å; V280-M300 HydrophobicContact CB-CG 4.15Å; V280-M300 HydrophobicContact CG1-CG 3.83Å; V280-M300 HydrophobicContact CG1-SD 4.45Å; L284-M300 HydrophobicContact CD1-SD 4.07Å; M300-G303 WeakPolarHBondContact CE-O 2.82Å; M300-A304 HydrophobicContact CE-CB 4.37Å; M300-L447 HydrophobicContact CG-CD1 4.16Å; M300-L447 HydrophobicContact SD-CD1 4.08Å; M300-L448 PolarHBondContact N-O 2.94Å; M300-A449 HydrophobicContact CB-CB 4.34Å; M300-A449 WeakPolarHBondContact O-CA 3.16Å; M300-G450 PolarHBondContact O-N 3.4Å; M300-G450 VanDerWaalsContact O-N 3.12Å; M300-L538 HydrophobicContact CB-CD1 4.13Å; M300-L538 HydrophobicContact CE-CD1 4.05Å; M300-I541 HydrophobicContact CE-CG1 4.36Å; M300-I541 HydrophobicContact CE-CG2 4.32Å; M300-I541 HydrophobicContact SD-CG2 4.14Å
301	M	98.7	Very high	94	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.9	-175.6	-52.3	177.9	-47.4	0	0	109.4	M271 G272 E273 S274 A277 I299 G303 Y555 L579 L582 W627	M271-M301 HydrophobicContact CG-CE 4.35Å; G272-M301 PolarHBondContact O-N 2.71Å; E273-M301 CarbonylContact C-O 3.6Å; E273-M301 WeakPolarHBondContact CA-O 3.32Å; E273-M301 HydrophobicContact CB-CB 4.24Å; E273-M301 HydrophobicContact CB-CE 3.81Å; E273-M301 HydrophobicContact CG-CB 4.4Å; S274-M301 PolarHBondContact N-O 2.73Å; A277-M301 WeakPolarHBondContact CB-O 3.26Å; I299-M301 HydrophobicContact CG2-CG 3.95Å; I299-M301 HydrophobicContact CG2-SD 4.16Å; M301-G303 PolarHBondContact O-N 3.41Å; M301-G303 VanDerWaalsContact O-N 3.07Å; M301-Y555 WeakPolarHBondContact CG-OH 3.36Å; M301-L579 HydrophobicContact CE-CD2 3.5Å; M301-L582 HydrophobicContact CE-CD2 3.75Å; M301-L582 HydrophobicContact SD-CD2 3.47Å; M301-L582 WeakPolarHBondContact SD-CD2 3.33Å; M301-W627 HydrophobicContact SD-CZ2 3.89Å; M301-W627 PolarHBondContact SD-NE1 2.93Å; M301-W627 VanDerWaalsContact SD-NE1 3.39Å
302	S	98.2	Very high	93.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	51.4	37.5	174.7	-61.5	0	0	0	0	114.6	S274 G450 E455 I534 H575	S274-S302 WeakPolarHBondContact CA-O 3.39Å; S302-G450 PolarHBondContact N-O 2.79Å; S302-E455 WeakPolarHBondContact CB-OE1 3.45Å; S302-E455 WeakPolarHBondContact CB-OE2 3.43Å; S302-E455 PolarHBondContact OG-OE1 2.67Å; S302-E455 PolarHBondContact OG-OE2 3.11Å; S302-I534 WeakPolarHBondContact O-CD1 3.3Å; S302-H575 PolarHBondContact O-CE1 3.15Å; S302-H575 VanDerWaalsContact O-CE1 3.28Å
303	G	97.1	Very high	93.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.103	C	C	.	.			trans	-174.1	146.9	176.8	0	0	0	0	0	113.6	A277 M300 M301	A277-G303 VanDerWaalsContact CB-O 3.24Å; A277-G303 WeakPolarHBondContact CB-O 3.26Å; M300-G303 WeakPolarHBondContact CE-O 2.82Å; M301-G303 PolarHBondContact O-N 3.41Å; M301-G303 VanDerWaalsContact O-N 3.07Å
304	A	97.1	Very high	92.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.			trans	-142.3	148	-176.6	0	0	0	0	0	111.3	M300 L306 S307 A310 P537 L538 I541	M300-A304 HydrophobicContact CE-CB 4.37Å; A304-L306 PolarHBondContact O-N 3.13Å; A304-S307 WeakPolarHBondContact O-CB 3.19Å; A304-S307 PolarHBondContact O-N 3.12Å; A304-S307 VanDerWaalsContact O-N 3.1Å; A304-S307 PolarHBondContact O-OG 3.45Å; A304-A310 WeakPolarHBondContact O-CB 3.11Å; A304-P537 HydrophobicContact CB-CB 3.98Å; A304-L538 HydrophobicContact CB-CB 4.24Å; A304-L538 HydrophobicContact CB-CD1 4.1Å; A304-I541 HydrophobicContact CB-CG1 3.85Å
305	D	95.3	Very high	90.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13	170.2	54.4	-56.4	0	0	0	113.3	G281 L282 F311 P433 R437	G281-D305 VanDerWaalsContact CA-OD1 3.3Å; G281-D305 WeakPolarHBondContact CA-OD1 3.22Å; L282-D305 HydrophobicContact CD2-CB 3.85Å; L282-D305 HydrophobicContact CG-CB 3.98Å; D305-F311 WeakPolarHBondContact O-CD1 3.25Å; D305-F311 WeakPolarHBondContact O-CE1 3.29Å; D305-P433 HydrophobicContact CB-CB 4.1Å; D305-P433 HydrophobicContact CB-CG 4.26Å; D305-P433 WeakPolarHBondContact O-CB 3.4Å; D305-P433 WeakPolarHBondContact O-CG 3.44Å; D305-P433 WeakPolarHBondContact OD2-CB 3.37Å; D305-R437 VanDerWaalsContact CG-NH2 3.3Å; D305-R437 IonicContact OD1-CZ 2.67Å; D305-R437 IonicContact OD1-NE 3.69Å; D305-R437 IonicContact OD1-NH2 3.85Å; D305-R437 PolarHBondContact OD1-NH2 3.16Å; D305-R437 IonicContact OD2-CZ 2.89Å; D305-R437 IonicContact OD2-NE 2.56Å; D305-R437 PolarHBondContact OD2-NE 2.8Å; D305-R437 IonicContact OD2-NH2 3.07Å; D305-R437 PolarHBondContact OD2-NH2 3.13Å; D305-R437 VanDerWaalsContact OD2-NH2 3.08Å
306	L	94.8	Very high	88.9	Confident	34 Å²	34	22.7 Å²	22.7	18%	0.178	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.7	171.6	-67.9	-174.7	0	0	0	114	A304 P433 A434 P537 I541 Y544	A304-L306 PolarHBondContact O-N 3.13Å; L306-P433 HydrophobicContact CD2-CB 4.02Å; L306-A434 VanDerWaalsContact CD2-CA 3.46Å; L306-A434 HydrophobicContact CD2-CB 3.79Å; L306-A434 VanDerWaalsContact CD2-N 3.32Å; L306-P537 HydrophobicContact CB-CB 4.03Å; L306-I541 HydrophobicContact CB-CD1 4.31Å; L306-I541 HydrophobicContact CD1-CD1 3.52Å; L306-I541 HydrophobicContact CD1-CG1 4.37Å; L306-I541 HydrophobicContact CG-CD1 3.51Å; L306-I541 HydrophobicContact CG-CG1 4.45Å; L306-Y544 HydrophobicContact CD1-CE2 4.43Å
307	S	92.1	Very high	87.1	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-66	141.6	176.9	-65.8	0	0	0	0	110.4	A304 W309 A310 E533 P537	A304-S307 WeakPolarHBondContact O-CB 3.19Å; A304-S307 PolarHBondContact O-N 3.12Å; A304-S307 VanDerWaalsContact O-N 3.1Å; A304-S307 PolarHBondContact O-OG 3.45Å; S307-W309 VanDerWaalsContact CB-CE2 3.46Å; S307-W309 VanDerWaalsContact CB-NE1 3.33Å; S307-W309 PolarHBondContact O-N 2.63Å; S307-W309 VanDerWaalsContact O-N 3.14Å; S307-A310 VanDerWaalsContact O-CB 3.26Å; S307-A310 WeakPolarHBondContact O-CB 3.28Å; S307-A310 PolarHBondContact O-N 3.44Å; S307-E533 VanDerWaalsContact CB-O 3.29Å; S307-E533 WeakPolarHBondContact CB-O 3.43Å; S307-E533 PolarHBondContact OG-O 2.96Å; S307-P537 WeakPolarHBondContact OG-CB 3.44Å
308	Q	83	Confident	85.6	Confident	87 Å²	87	21.2 Å²	21.2	41%	0.407	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.3	-175.6	-64.3	-167.9	16.8	0	0	113.5	L493	Q308-L493 VanDerWaalsContact OE1-CD2 3.23Å
309	W	86.9	Confident	84.4	Confident	10 Å²	10	21.7 Å²	21.7	4%	0.038	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.1	177.3	57	-99.8	0	0	0	114.1	Y198 A275 A278 S307 F311 F416 T419 E533 I534	Y198-W309 HydrophobicContact CE2-CE3 4.48Å; Y198-W309 HydrophobicContact CE2-CZ3 4.27Å; A275-W309 HydrophobicContact CB-CZ3 4.19Å; A278-W309 HydrophobicContact CB-CH2 3.94Å; A278-W309 HydrophobicContact CB-CZ3 3.88Å; S307-W309 VanDerWaalsContact CB-CE2 3.46Å; S307-W309 VanDerWaalsContact CB-NE1 3.33Å; S307-W309 PolarHBondContact O-N 2.63Å; S307-W309 VanDerWaalsContact O-N 3.14Å; W309-F311 VanDerWaalsContact C-N 3.32Å; W309-F311 PolarHBondContact O-N 3.38Å; W309-F416 HydrophobicContact CB-CB 4.28Å; W309-F416 HydrophobicContact CB-CD1 4.08Å; W309-F416 HydrophobicContact CB-CD2 3.13Å; W309-F416 HydrophobicContact CB-CE1 4.08Å; W309-F416 HydrophobicContact CB-CE2 3.16Å; W309-F416 HydrophobicContact CB-CG 3.58Å; W309-F416 HydrophobicContact CB-CZ 3.59Å; W309-F416 HydrophobicContact CG-CD2 4.31Å; W309-F416 AromaticContact CG-CE2 3.92Å; W309-F416 HydrophobicContact CG-CE2 3.92Å; W309-F416 AromaticContact CG-CZ 3.96Å; W309-F416 HydrophobicContact CG-CZ 3.96Å; W309-T419 PolarHBondContact O-OG1 2.84Å; W309-E533 PolarHBondContact NE1-O 3.49Å; W309-E533 VanDerWaalsContact NE1-O 3.09Å; W309-I534 HydrophobicContact CZ2-CG1 4.39Å
310	A	92	Very high	83.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-76.1	-20.6	-172.2	0	0	0	0	0	113.7	A278 A304 S307 T419 P420	A278-A310 HydrophobicContact CB-CB 3.77Å; A304-A310 WeakPolarHBondContact O-CB 3.11Å; S307-A310 VanDerWaalsContact O-CB 3.26Å; S307-A310 WeakPolarHBondContact O-CB 3.28Å; S307-A310 PolarHBondContact O-N 3.44Å; A310-T419 VanDerWaalsContact C-OG1 3.27Å; A310-T419 PolarHBondContact O-OG1 2.64Å; A310-P420 WeakPolarHBondContact O-CD 3.5Å
311	F	89.3	Confident	82.5	Confident	30 Å²	30	24.6 Å²	24.6	13%	0.132	12%	0.117	C	C	.	.			trans	-155.2	157.9	175.2	71.8	-79.6	0	0	0	111.6	D305 W309 D313 T419 P420 V422 T432 P433	D305-F311 WeakPolarHBondContact O-CD1 3.25Å; D305-F311 WeakPolarHBondContact O-CE1 3.29Å; W309-F311 VanDerWaalsContact C-N 3.32Å; W309-F311 PolarHBondContact O-N 3.38Å; F311-D313 HydrophobicContact CE2-CB 4.39Å; F311-T419 PolarHBondContact N-OG1 2.85Å; F311-P420 CarbonylContact C-O 3.48Å; F311-P420 WeakPolarHBondContact CA-O 3.34Å; F311-P420 HydrophobicContact CB-CB 4.38Å; F311-V422 HydrophobicContact CD2-CG2 3.88Å; F311-V422 HydrophobicContact CE2-CG2 4.21Å; F311-T432 HydrophobicContact CE2-CG2 4.08Å; F311-P433 HydrophobicContact CD1-CG 3.81Å; F311-P433 HydrophobicContact CE1-CG 3.92Å; F311-P433 HydrophobicContact CG-CG 4.23Å; F311-P433 HydrophobicContact CZ-CG 4.42Å
312	S	82.9	Confident	81.8	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.014	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-104.1	123	170	-79.1	0	0	0	0	109.7	P314 T419 P420 V421 V422	S312-P314 WeakPolarHBondContact O-CD 3.41Å; S312-T419 WeakPolarHBondContact OG-CG2 3.42Å; S312-P420 PolarHBondContact N-O 3.28Å; S312-V421 WeakPolarHBondContact O-CA 3.45Å; S312-V422 PolarHBondContact O-N 3.47Å; S312-V422 VanDerWaalsContact O-N 3.1Å
313	D	76.1	Confident	81.2	Confident	27 Å²	27	24.8 Å²	24.8	14%	0.144	12%	0.118	C	C	.	.			trans	-76.8	113.5	162.8	-175.4	-12.7	0	0	0	108	F311 V315 K316 V317	F311-D313 HydrophobicContact CE2-CB 4.39Å; D313-V315 PolarHBondContact O-N 3.11Å; D313-V315 VanDerWaalsContact O-N 3.09Å; D313-V315 WeakPolarHBondContact OD1-CB 3.45Å; D313-V315 WeakPolarHBondContact OD1-CG2 3.41Å; D313-V315 PolarHBondContact OD1-N 3.47Å; D313-K316 HydrophobicContact CB-CB 4.11Å; D313-K316 HydrophobicContact CB-CD 4.06Å; D313-K316 HydrophobicContact CB-CG 4.02Å; D313-K316 PolarHBondContact O-N 3.31Å; D313-V317 PolarHBondContact O-N 3.5Å
314	P	67.6	Low	80.6	Confident	43 Å²	43	24.8 Å²	24.8	28%	0.279	12%	0.118	S	C	.	.	H	α-helix	trans	-59.5	-24.3	-178.5	26.1	-35.1	0	0	0	112.2	S312 K316 R318 V421 V422	S312-P314 WeakPolarHBondContact O-CD 3.41Å; P314-K316 VanDerWaalsContact C-N 3.32Å; P314-R318 PolarHBondContact O-N 2.95Å; P314-V421 HydrophobicContact CB-CG1 4.26Å; P314-V421 HydrophobicContact CG-CG1 4.39Å; P314-V422 HydrophobicContact CG-CB 4.43Å
315	V	63.4	Low	80	Confident	35 Å²	35	25 Å²	25	21%	0.212	12%	0.119	C	C	.	.	H	α-helix	trans	-67.9	-34.9	175.9	-167.4	0	0	0	0	110.2	D313 A690 S691 P693	D313-V315 PolarHBondContact O-N 3.11Å; D313-V315 VanDerWaalsContact O-N 3.09Å; D313-V315 WeakPolarHBondContact OD1-CB 3.45Å; D313-V315 WeakPolarHBondContact OD1-CG2 3.41Å; D313-V315 PolarHBondContact OD1-N 3.47Å; V315-A690 VanDerWaalsContact C-CB 3.44Å; V315-A690 HydrophobicContact CB-CB 3.62Å; V315-A690 HydrophobicContact CG1-CB 3.17Å; V315-A690 CarbonylContact O-C 3.59Å; V315-A690 VanDerWaalsContact O-CA 3.26Å; V315-A690 WeakPolarHBondContact O-CA 3.17Å; V315-A690 WeakPolarHBondContact O-CB 3.35Å; V315-S691 WeakPolarHBondContact CG1-O 3.47Å; V315-S691 PolarHBondContact O-N 3.17Å; V315-P693 HydrophobicContact CG2-CB 4.34Å; V315-P693 HydrophobicContact CG2-CG 4.45Å
316	K	61.1	Low	79.7	Confident	124 Å²	124	25 Å²	25	54%	0.539	12%	0.119	S	C	.	.	H	α-helix	trans	-89.1	-49.9	-178.2	-68	-178.5	-177.7	-175.8	0	112.9	D313 P314 A690	D313-K316 HydrophobicContact CB-CB 4.11Å; D313-K316 HydrophobicContact CB-CD 4.06Å; D313-K316 HydrophobicContact CB-CG 4.02Å; D313-K316 PolarHBondContact O-N 3.31Å; P314-K316 VanDerWaalsContact C-N 3.32Å; K316-A690 HydrophobicContact CB-CB 4.21Å; K316-A690 HydrophobicContact CG-CB 3.35Å
317	V	59.6	Low	79.5	Confident	8 Å²	8	23.3 Å²	23.3	5%	0.048	11%	0.11	C	C	.	.	H	α-helix	trans	-99.4	-9	-162.4	177.9	0	0	0	0	113	D313 T319 Y322 A413 P414	D313-V317 PolarHBondContact O-N 3.5Å; V317-T319 PolarHBondContact O-N 3.18Å; V317-Y322 HydrophobicContact CG1-CE2 3.74Å; V317-A413 HydrophobicContact CG1-CB 3.85Å; V317-A413 HydrophobicContact CG2-CB 4.4Å; V317-P414 HydrophobicContact CG2-CG 4.16Å
318	R	65.4	Low	79.2	Confident	45 Å²	45	24.9 Å²	24.9	17%	0.17	12%	0.118	C	C	.	.			trans	40.9	63.5	-172.4	-67.2	-169.2	-178.4	-139.9	-0.7	111.3	P314 R320 Y321 V376 Y378 S691	P314-R318 PolarHBondContact O-N 2.95Å; R318-R320 PolarHBondContact O-N 3.38Å; R318-Y321 WeakPolarHBondContact O-CB 3.16Å; R318-Y321 PolarHBondContact O-N 3.22Å; R318-V376 VanDerWaalsContact CZ-O 3.27Å; R318-V376 PolarHBondContact NE-O 2.94Å; R318-V376 VanDerWaalsContact NE-O 3.15Å; R318-Y378 PolarHBondContact NH1-O 3.24Å; R318-S691 PolarHBondContact NH2-OG 3.03Å; R318-S691 VanDerWaalsContact NH2-OG 3.16Å
319	T	74.4	Confident	79.4	Confident	11 Å²	11	24.3 Å²	24.3	7%	0.067	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-33	-178.5	50.8	0	0	0	0	114.4	V317 Y321 Y322 V421	V317-T319 PolarHBondContact O-N 3.18Å; T319-Y321 PolarHBondContact O-N 3.49Å; T319-Y322 PolarHBondContact O-N 3.21Å; T319-V421 HydrophobicContact CG2-CB 4.39Å; T319-V421 HydrophobicContact CG2-CG1 3.79Å; T319-V421 HydrophobicContact CG2-CG2 3.67Å
320	R	79.6	Confident	79.6	Confident	38 Å²	38	24.5 Å²	24.5	14%	0.143	11%	0.113	C	C	.	.	H	α-helix	trans	-50.8	-35.4	171	-175.1	175.2	-177.8	167.1	5.1	114.5	T233 R318 Y322 A323 I324 V382	T233-R320 WeakPolarHBondContact O-CB 3.41Å; T233-R320 VanDerWaalsContact O-CD 3.26Å; T233-R320 WeakPolarHBondContact O-CD 3.47Å; T233-R320 WeakPolarHBondContact O-CG 3.24Å; R318-R320 PolarHBondContact O-N 3.38Å; R320-Y322 PolarHBondContact O-N 2.84Å; R320-A323 PolarHBondContact O-N 2.97Å; R320-I324 HydrophobicContact CG-CD1 3.74Å; R320-I324 HydrophobicContact CG-CG1 4.41Å; R320-I324 WeakPolarHBondContact O-CG1 3.34Å; R320-I324 PolarHBondContact O-N 3.26Å; R320-I324 VanDerWaalsContact O-N 3.12Å; R320-V382 PolarHBondContact NH2-O 3Å
321	Y	78.4	Confident	79.5	Confident	23 Å²	23	30.8 Å²	30.8	9%	0.09	15%	0.147	C	C	.	.	H	α-helix	trans	-54.7	-50.6	178.2	172	-98.2	0	0	0	111.4	R318 T319 A323 I324 E325 Y378 L410	R318-Y321 WeakPolarHBondContact O-CB 3.16Å; R318-Y321 PolarHBondContact O-N 3.22Å; T319-Y321 PolarHBondContact O-N 3.49Å; Y321-A323 VanDerWaalsContact C-N 3.32Å; Y321-A323 PolarHBondContact O-N 3.36Å; Y321-I324 PolarHBondContact O-N 2.91Å; Y321-E325 HydrophobicContact CD1-CG 3.98Å; Y321-E325 HydrophobicContact CD2-CG 4.15Å; Y321-E325 HydrophobicContact CE1-CG 3.47Å; Y321-E325 VanDerWaalsContact CE1-CG 3.47Å; Y321-E325 HydrophobicContact CE2-CG 3.67Å; Y321-E325 HydrophobicContact CG-CG 4.3Å; Y321-E325 PolarHBondContact O-N 2.93Å; Y321-Y378 HydrophobicContact CD2-CD1 4.29Å; Y321-Y378 AromaticContact CD2-CD2 3.46Å; Y321-Y378 HydrophobicContact CD2-CD2 3.46Å; Y321-Y378 VanDerWaalsContact CD2-CD2 3.46Å; Y321-Y378 HydrophobicContact CD2-CE1 4.2Å; Y321-Y378 AromaticContact CD2-CE2 3.36Å; Y321-Y378 HydrophobicContact CD2-CE2 3.36Å; Y321-Y378 AromaticContact CD2-CG 3.91Å; Y321-Y378 HydrophobicContact CD2-CG 3.91Å; Y321-Y378 AromaticContact CD2-CZ 3.73Å; Y321-Y378 AromaticContact CE2-CD2 3.94Å; Y321-Y378 HydrophobicContact CE2-CD2 3.94Å; Y321-Y378 AromaticContact CE2-CE2 3.59Å; Y321-Y378 HydrophobicContact CE2-CE2 3.59Å; Y321-L410 HydrophobicContact CD1-CD1 3.4Å; Y321-L410 HydrophobicContact CD1-CD2 4.06Å; Y321-L410 HydrophobicContact CD1-CG 3.54Å; Y321-L410 HydrophobicContact CD2-CD1 4.04Å; Y321-L410 HydrophobicContact CD2-CD2 4.32Å; Y321-L410 HydrophobicContact CE1-CD1 3.77Å; Y321-L410 HydrophobicContact CE1-CD2 3.51Å; Y321-L410 HydrophobicContact CE1-CG 3.36Å; Y321-L410 HydrophobicContact CE2-CD1 4.36Å; Y321-L410 HydrophobicContact CE2-CD2 3.81Å; Y321-L410 HydrophobicContact CE2-CG 4.36Å; Y321-L410 HydrophobicContact CG-CD1 3.55Å; Y321-L410 HydrophobicContact CG-CD2 4.43Å; Y321-L410 HydrophobicContact CG-CG 4.13Å
322	Y	82.8	Confident	79.6	Confident	3 Å²	3	29.5 Å²	29.5	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-66.7	-34.3	-176.5	-63.4	-58.7	0	0	0	112.6	V317 T319 R320 I324 L326 L410 A413 V417	V317-Y322 HydrophobicContact CG1-CE2 3.74Å; T319-Y322 PolarHBondContact O-N 3.21Å; R320-Y322 PolarHBondContact O-N 2.84Å; Y322-I324 VanDerWaalsContact C-N 3.31Å; Y322-I324 PolarHBondContact O-N 2.99Å; Y322-L326 VanDerWaalsContact O-CB 3.27Å; Y322-L326 WeakPolarHBondContact O-CB 3.29Å; Y322-L326 PolarHBondContact O-N 3.47Å; Y322-L410 PolarHBondContact OH-N 2.67Å; Y322-L410 VanDerWaalsContact OH-N 3.14Å; Y322-A413 WeakPolarHBondContact OH-CB 3.3Å; Y322-V417 HydrophobicContact CD1-CB 4.36Å; Y322-V417 HydrophobicContact CD1-CG1 3.51Å; Y322-V417 HydrophobicContact CD1-CG2 4.1Å; Y322-V417 HydrophobicContact CD2-CG1 3.82Å; Y322-V417 HydrophobicContact CE1-CB 4.36Å; Y322-V417 HydrophobicContact CE1-CG1 3.99Å; Y322-V417 HydrophobicContact CE1-CG2 3.71Å; Y322-V417 HydrophobicContact CE2-CB 4.48Å; Y322-V417 HydrophobicContact CE2-CG1 4.24Å; Y322-V417 HydrophobicContact CE2-CG2 4.44Å; Y322-V417 HydrophobicContact CG-CB 4.46Å; Y322-V417 HydrophobicContact CG-CG1 3.43Å; Y322-V417 VanDerWaalsContact CG-CG1 3.43Å
323	A	87	Confident	79.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-40.3	171.7	0	0	0	0	0	111.7	L231 T233 R320 Y321 A327	L231-A323 HydrophobicContact CD1-CB 4.44Å; L231-A323 HydrophobicContact CD2-CB 4.07Å; L231-A323 HydrophobicContact CG-CB 4.07Å; T233-A323 HydrophobicContact CG2-CB 4.24Å; R320-A323 PolarHBondContact O-N 2.97Å; Y321-A323 VanDerWaalsContact C-N 3.32Å; Y321-A323 PolarHBondContact O-N 3.36Å; A323-A327 VanDerWaalsContact O-CB 3.32Å; A323-A327 WeakPolarHBondContact O-CB 3.34Å; A323-A327 PolarHBondContact O-N 2.93Å
324	I	84.7	Confident	80	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-73.1	-43	-179.8	-67.6	170.2	0	0	0	111.5	R320 Y321 Y322 L326 A327 Q328 V335 I340 Y378 V382 L387	R320-I324 HydrophobicContact CG-CD1 3.74Å; R320-I324 HydrophobicContact CG-CG1 4.41Å; R320-I324 WeakPolarHBondContact O-CG1 3.34Å; R320-I324 PolarHBondContact O-N 3.26Å; R320-I324 VanDerWaalsContact O-N 3.12Å; Y321-I324 PolarHBondContact O-N 2.91Å; Y322-I324 VanDerWaalsContact C-N 3.31Å; Y322-I324 PolarHBondContact O-N 2.99Å; I324-L326 VanDerWaalsContact C-N 3.35Å; I324-L326 PolarHBondContact O-N 2.74Å; I324-A327 PolarHBondContact O-N 3.28Å; I324-Q328 WeakPolarHBondContact O-CB 3.5Å; I324-Q328 PolarHBondContact O-N 2.92Å; I324-V335 HydrophobicContact CG2-CG1 4.13Å; I324-V335 HydrophobicContact CG2-CG2 4.38Å; I324-I340 HydrophobicContact CG2-CD1 3.58Å; I324-I340 HydrophobicContact CG2-CG1 4.23Å; I324-Y378 HydrophobicContact CB-CE1 4.12Å; I324-Y378 HydrophobicContact CD1-CD1 4.31Å; I324-Y378 HydrophobicContact CD1-CE1 3.59Å; I324-Y378 HydrophobicContact CG1-CE1 4.43Å; I324-Y378 HydrophobicContact CG2-CE1 4.06Å; I324-Y378 WeakPolarHBondContact CG2-OH 3.33Å; I324-V382 HydrophobicContact CD1-CB 4.06Å; I324-V382 HydrophobicContact CD1-CG2 3.64Å; I324-V382 HydrophobicContact CG1-CB 4.33Å; I324-V382 HydrophobicContact CG1-CG2 3.97Å; I324-V382 HydrophobicContact CG2-CG2 4.09Å; I324-L387 HydrophobicContact CG1-CD1 3.94Å
325	E	82.8	Confident	80.4	Confident	3 Å²	3	32.2 Å²	32.2	1%	0.014	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-39.8	175.5	-75.8	-65.5	139.3	0	0	112.7	Y321 Q328 R329 Q344 L407	Y321-E325 HydrophobicContact CD1-CG 3.98Å; Y321-E325 HydrophobicContact CD2-CG 4.15Å; Y321-E325 HydrophobicContact CE1-CG 3.47Å; Y321-E325 VanDerWaalsContact CE1-CG 3.47Å; Y321-E325 HydrophobicContact CE2-CG 3.67Å; Y321-E325 HydrophobicContact CG-CG 4.3Å; Y321-E325 PolarHBondContact O-N 2.93Å; E325-Q328 PolarHBondContact O-N 3.46Å; E325-R329 WeakPolarHBondContact O-CG 3.47Å; E325-R329 PolarHBondContact O-N 3.3Å; E325-R329 VanDerWaalsContact O-N 3.1Å; E325-R329 PolarHBondContact O-NH1 3.39Å; E325-R329 IonicContact OE2-CZ 2.7Å; E325-R329 IonicContact OE2-NH1 2.76Å; E325-R329 PolarHBondContact OE2-NH1 2.62Å; E325-Q344 VanDerWaalsContact CD-NE2 3.31Å; E325-Q344 PolarHBondContact OE1-NE2 3.4Å; E325-Q344 PolarHBondContact OE2-NE2 2.96Å; E325-Q344 VanDerWaalsContact OE2-NE2 3.13Å; E325-L407 HydrophobicContact CB-CD2 3.78Å
326	L	89.2	Confident	80.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-47.5	173.7	177.9	62.9	0	0	0	110.6	P227 L231 Y322 I324 Q328 R329 L330 I400 A403 V404 L407 W418	P227-L326 HydrophobicContact CB-CD2 3.88Å; P227-L326 HydrophobicContact CG-CD2 4.35Å; L231-L326 HydrophobicContact CD1-CD2 3.91Å; Y322-L326 VanDerWaalsContact O-CB 3.27Å; Y322-L326 WeakPolarHBondContact O-CB 3.29Å; Y322-L326 PolarHBondContact O-N 3.47Å; I324-L326 VanDerWaalsContact C-N 3.35Å; I324-L326 PolarHBondContact O-N 2.74Å; L326-Q328 VanDerWaalsContact C-N 3.3Å; L326-Q328 PolarHBondContact O-N 3.16Å; L326-R329 PolarHBondContact O-N 2.85Å; L326-L330 HydrophobicContact CD1-CD1 3.92Å; L326-L330 HydrophobicContact CD1-CG 4.45Å; L326-L330 HydrophobicContact CG-CD1 3.92Å; L326-L330 WeakPolarHBondContact O-CG 3.33Å; L326-L330 PolarHBondContact O-N 3.37Å; L326-I400 HydrophobicContact CD2-CG2 4.26Å; L326-A403 HydrophobicContact CD1-CB 3.77Å; L326-V404 HydrophobicContact CD1-CG2 4.17Å; L326-L407 HydrophobicContact CB-CD1 4.28Å; L326-L407 HydrophobicContact CD1-CD1 4.29Å; L326-W418 HydrophobicContact CB-CH2 4.31Å; L326-W418 HydrophobicContact CB-CZ2 4.4Å; L326-W418 HydrophobicContact CD2-CH2 3.77Å; L326-W418 HydrophobicContact CD2-CZ2 3.83Å
327	A	90.4	Very high	80.9	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-35.3	178.8	0	0	0	0	0	112.5	A323 I324 L330 N331 C332 V335 L387	A323-A327 VanDerWaalsContact O-CB 3.32Å; A323-A327 WeakPolarHBondContact O-CB 3.34Å; A323-A327 PolarHBondContact O-N 2.93Å; I324-A327 PolarHBondContact O-N 3.28Å; A327-L330 CarbonylContact O-C 3.47Å; A327-L330 PolarHBondContact O-N 2.7Å; A327-N331 PolarHBondContact O-N 2.99Å; A327-C332 HydrophobicContact CB-CB 4.01Å; A327-C332 WeakPolarHBondContact O-CB 3.44Å; A327-C332 PolarHBondContact O-N 3.26Å; A327-V335 HydrophobicContact CB-CG2 3.7Å; A327-L387 HydrophobicContact CB-CD1 3.58Å; A327-L387 HydrophobicContact CB-CD2 4.28Å; A327-L387 HydrophobicContact CB-CG 3.61Å
328	Q	86.2	Confident	81	Confident	33 Å²	33	41.4 Å²	41.4	15%	0.154	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-49.1	173.6	-173.2	-171.6	4.9	0	0	111.6	I324 E325 L326 L330 N331 V335 I340	I324-Q328 WeakPolarHBondContact O-CB 3.5Å; I324-Q328 PolarHBondContact O-N 2.92Å; E325-Q328 PolarHBondContact O-N 3.46Å; L326-Q328 VanDerWaalsContact C-N 3.3Å; L326-Q328 PolarHBondContact O-N 3.16Å; Q328-L330 PolarHBondContact O-N 2.93Å; Q328-N331 PolarHBondContact O-N 3.38Å; Q328-V335 HydrophobicContact CB-CG1 4.08Å; Q328-V335 HydrophobicContact CG-CG1 4.47Å; Q328-I340 HydrophobicContact CB-CD1 3.74Å; Q328-I340 HydrophobicContact CG-CD1 3.82Å; Q328-I340 VanDerWaalsContact OE1-CD1 3.29Å
329	R	87.2	Confident	80.8	Confident	74 Å²	74	40.7 Å²	40.7	28%	0.279	22%	0.215	S	C	.	.	H	α-helix	trans	-60.4	-32.9	178	-76.6	172.1	175	65.1	-1.7	112.3	E325 L326 N331 A403 E406	E325-R329 WeakPolarHBondContact O-CG 3.47Å; E325-R329 PolarHBondContact O-N 3.3Å; E325-R329 VanDerWaalsContact O-N 3.1Å; E325-R329 PolarHBondContact O-NH1 3.39Å; E325-R329 IonicContact OE2-CZ 2.7Å; E325-R329 IonicContact OE2-NH1 2.76Å; E325-R329 PolarHBondContact OE2-NH1 2.62Å; L326-R329 PolarHBondContact O-N 2.85Å; R329-N331 PolarHBondContact O-N 2.91Å; R329-A403 HydrophobicContact CB-CB 4.29Å; R329-E406 PolarHBondContact NE-O 3.37Å; R329-E406 PolarHBondContact NH2-O 2.98Å
330	L	92.1	Very high	80.3	Confident	15 Å²	15	40.1 Å²	40.1	8%	0.079	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	3.6	175.5	-66.9	168.4	0	0	0	113.5	L326 A327 Q328 C332 L391 K395 Q399 I400 A403	L326-L330 HydrophobicContact CD1-CD1 3.92Å; L326-L330 HydrophobicContact CD1-CG 4.45Å; L326-L330 HydrophobicContact CG-CD1 3.92Å; L326-L330 WeakPolarHBondContact O-CG 3.33Å; L326-L330 PolarHBondContact O-N 3.37Å; A327-L330 CarbonylContact O-C 3.47Å; A327-L330 PolarHBondContact O-N 2.7Å; Q328-L330 PolarHBondContact O-N 2.93Å; L330-C332 VanDerWaalsContact C-N 3.27Å; L330-C332 PolarHBondContact O-N 3.02Å; L330-L391 HydrophobicContact CD1-CD2 3.36Å; L330-K395 HydrophobicContact CB-CD 4.05Å; L330-K395 HydrophobicContact CB-CG 4.33Å; L330-K395 HydrophobicContact CD1-CG 4.41Å; L330-K395 HydrophobicContact CD2-CD 4.25Å; L330-K395 WeakPolarHBondContact O-CE 2.71Å; L330-Q399 HydrophobicContact CD2-CB 4.12Å; L330-Q399 WeakPolarHBondContact CD2-O 3.43Å; L330-I400 HydrophobicContact CD1-CB 4.5Å; L330-I400 HydrophobicContact CD1-CG1 3.83Å; L330-A403 HydrophobicContact CD2-CB 3.72Å; L330-A403 HydrophobicContact CG-CB 3.92Å
331	N	90.3	Very high	79.5	Confident	132 Å²	132	41.3 Å²	41.3	71%	0.706	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	39.5	-177.4	-60.6	-56.7	0	0	0	113.3	A327 Q328 R329 S333	A327-N331 PolarHBondContact O-N 2.99Å; Q328-N331 PolarHBondContact O-N 3.38Å; R329-N331 PolarHBondContact O-N 2.91Å; N331-S333 PolarHBondContact O-N 2.98Å
332	C	90.1	Very high	78.5	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.02	25%	0.248	C	C	.	.			trans	-67.9	123.8	171.9	-71.1	0	0	0	0	110.4	A327 L330 S334 V335 C390	A327-C332 HydrophobicContact CB-CB 4.01Å; A327-C332 WeakPolarHBondContact O-CB 3.44Å; A327-C332 PolarHBondContact O-N 3.26Å; L330-C332 VanDerWaalsContact C-N 3.27Å; L330-C332 PolarHBondContact O-N 3.02Å; C332-S334 PolarHBondContact O-N 3.32Å; C332-S334 VanDerWaalsContact O-N 3.11Å; C332-V335 PolarHBondContact O-N 3.43Å; C332-C390 WeakPolarHBondContact CA-SG 3.48Å; C332-C390 HydrophobicContact CB-CB 3.68Å; C332-C390 WeakPolarHBondContact CB-SG 3.38Å; C332-C390 WeakPolarHBondContact SG-CB 3.47Å; C332-C390 CovalentContact SG-SG 2.04Å; C332-C390 PolarHBondContact SG-SG 3.32Å
333	S	86	Confident	77.4	Confident	99 Å²	99	47.3 Å²	47.3	69%	0.692	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.5	-177.6	59.2	0	0	0	0	114.2	N331 V335	N331-S333 PolarHBondContact O-N 2.98Å; S333-V335 PolarHBondContact O-N 3.15Å
334	S	81.9	Confident	76.2	Confident	20 Å²	20	48.6 Å²	48.6	14%	0.14	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.1	173.9	60.1	0	0	0	0	113.3	C332 L387	C332-S334 PolarHBondContact O-N 3.32Å; C332-S334 VanDerWaalsContact O-N 3.11Å; S334-L387 VanDerWaalsContact OG-CA 3.26Å; S334-L387 WeakPolarHBondContact OG-CA 3.49Å; S334-L387 PolarHBondContact OG-N 3.1Å
335	V	76.5	Confident	74.9	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.055	28%	0.28	C	S	.	.	S	Bend	trans	-103.8	105.2	-176.7	-179.8	0	0	0	0	109.3	I324 A327 Q328 C332 S333 I337 I340 V382 L387	I324-V335 HydrophobicContact CG2-CG1 4.13Å; I324-V335 HydrophobicContact CG2-CG2 4.38Å; A327-V335 HydrophobicContact CB-CG2 3.7Å; Q328-V335 HydrophobicContact CB-CG1 4.08Å; Q328-V335 HydrophobicContact CG-CG1 4.47Å; C332-V335 PolarHBondContact O-N 3.43Å; S333-V335 PolarHBondContact O-N 3.15Å; V335-I337 PolarHBondContact O-N 3.25Å; V335-I340 HydrophobicContact CG1-CD1 3.09Å; V335-I340 HydrophobicContact CG1-CG1 3.89Å; V335-V382 HydrophobicContact CG2-CG1 4.05Å; V335-L387 HydrophobicContact CG2-CD1 4.2Å
336	Q	68.7	Low	73.6	Confident	144 Å²	144	60 Å²	60	67%	0.673	31%	0.305	S	S	*	.			trans	-74.4	115.8	175.4	-65.9	-169.6	-10.4	0	0	110.4	N338 A339 I340	Q336-N338 PolarHBondContact O-N 3.34Å; Q336-N338 VanDerWaalsContact O-N 3.15Å; Q336-A339 HydrophobicContact CB-CB 4.47Å; Q336-A339 PolarHBondContact O-N 3.38Å; Q336-A339 VanDerWaalsContact O-N 3.1Å; Q336-I340 PolarHBondContact O-N 3.35Å
337	I	65.2	Low	72	Confident	94 Å²	94	60.9 Å²	60.9	48%	0.482	31%	0.31	S	S	.	.	H	α-helix	trans	-52.3	-38.8	-177.9	-65.8	168.8	0	0	0	112	V335 A339 I340 N341	V335-I337 PolarHBondContact O-N 3.25Å; I337-A339 PolarHBondContact O-N 3.42Å; I337-I340 PolarHBondContact O-N 3.26Å; I337-N341 WeakPolarHBondContact CG2-ND2 3.48Å; I337-N341 WeakPolarHBondContact O-CB 3.41Å; I337-N341 PolarHBondContact O-N 3.31Å
338	N	62.7	Low	70.3	Confident	122 Å²	122	67 Å²	67	65%	0.652	33%	0.333	S	S	*	.	H	α-helix	trans	-63	-43	-178.6	-65.1	-10.2	0	0	0	112.3	Q336 I340 N341 E342	Q336-N338 PolarHBondContact O-N 3.34Å; Q336-N338 VanDerWaalsContact O-N 3.15Å; N338-I340 VanDerWaalsContact C-N 3.32Å; N338-I340 PolarHBondContact O-N 3.16Å; N338-N341 PolarHBondContact O-N 3.23Å; N338-E342 PolarHBondContact O-N 3.46Å; N338-E342 VanDerWaalsContact O-N 3.11Å
339	A	61	Low	68.5	Low	30 Å²	30	69.2 Å²	69.2	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-34.8	-179.6	0	0	0	0	0	111.9	Q336 I337 S343 V380	Q336-A339 HydrophobicContact CB-CB 4.47Å; Q336-A339 PolarHBondContact O-N 3.38Å; Q336-A339 VanDerWaalsContact O-N 3.1Å; I337-A339 PolarHBondContact O-N 3.42Å; A339-S343 PolarHBondContact O-N 3.1Å; A339-V380 HydrophobicContact CB-CG1 3.89Å
340	I	63.2	Low	66.8	Low	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-70.2	-46.5	172.9	-64.9	-172.7	0	0	0	111	I324 Q328 V335 Q336 I337 N338 E342 S343 Q344 V380	I324-I340 HydrophobicContact CG2-CD1 3.58Å; I324-I340 HydrophobicContact CG2-CG1 4.23Å; Q328-I340 HydrophobicContact CB-CD1 3.74Å; Q328-I340 HydrophobicContact CG-CD1 3.82Å; Q328-I340 VanDerWaalsContact OE1-CD1 3.29Å; V335-I340 HydrophobicContact CG1-CD1 3.09Å; V335-I340 HydrophobicContact CG1-CG1 3.89Å; Q336-I340 PolarHBondContact O-N 3.35Å; I337-I340 PolarHBondContact O-N 3.26Å; N338-I340 VanDerWaalsContact C-N 3.32Å; N338-I340 PolarHBondContact O-N 3.16Å; I340-E342 PolarHBondContact O-N 3.42Å; I340-S343 CarbonylContact O-C 3.56Å; I340-S343 WeakPolarHBondContact O-CA 3.39Å; I340-S343 PolarHBondContact O-N 3.35Å; I340-S343 PolarHBondContact O-OG 3.09Å; I340-Q344 HydrophobicContact CG2-CG 3.57Å; I340-Q344 WeakPolarHBondContact O-CB 3.44Å; I340-Q344 PolarHBondContact O-N 3.25Å; I340-V380 HydrophobicContact CG1-CG1 4.25Å
341	N	63.5	Low	64.7	Low	63 Å²	63	70.3 Å²	70.3	34%	0.337	36%	0.364	S	S	.	.	H	α-helix	trans	-55.8	-38.8	-178.5	-78.7	-17	0	0	0	111.3	I337 N338 Q345	I337-N341 WeakPolarHBondContact CG2-ND2 3.48Å; I337-N341 WeakPolarHBondContact O-CB 3.41Å; I337-N341 PolarHBondContact O-N 3.31Å; N338-N341 PolarHBondContact O-N 3.23Å; N341-Q345 WeakPolarHBondContact O-CA 3.26Å; N341-Q345 WeakPolarHBondContact O-CB 3.25Å; N341-Q345 PolarHBondContact O-N 2.73Å
342	E	57.7	Low	62.3	Low	140 Å²	140	69.4 Å²	69.4	65%	0.654	36%	0.358	S	S	*	.	H	α-helix	trans	-61.5	-47.2	172.9	-71.5	174.3	-174.6	0	0	112.4	N338 I340 Q345 Y346	N338-E342 PolarHBondContact O-N 3.46Å; N338-E342 VanDerWaalsContact O-N 3.11Å; I340-E342 PolarHBondContact O-N 3.42Å; E342-Q345 PolarHBondContact O-N 3.32Å; E342-Y346 WeakPolarHBondContact O-CB 3.32Å; E342-Y346 PolarHBondContact O-N 2.9Å
343	S	59.1	Low	59.9	Low	12 Å²	12	78.3 Å²	78.3	8%	0.084	39%	0.393	C	S	.	.	H	α-helix	trans	-67	-44.2	178.9	70.5	0	0	0	0	113.3	A339 I340 Y346 I347 Y378 V380	A339-S343 PolarHBondContact O-N 3.1Å; I340-S343 CarbonylContact O-C 3.56Å; I340-S343 WeakPolarHBondContact O-CA 3.39Å; I340-S343 PolarHBondContact O-N 3.35Å; I340-S343 PolarHBondContact O-OG 3.09Å; S343-Y346 WeakPolarHBondContact O-CB 3.31Å; S343-Y346 PolarHBondContact O-N 3.1Å; S343-I347 WeakPolarHBondContact O-CG1 3.48Å; S343-I347 PolarHBondContact O-N 2.84Å; S343-Y378 VanDerWaalsContact OG-CE2 3.31Å; S343-Y378 WeakPolarHBondContact OG-CE2 3.46Å; S343-V380 WeakPolarHBondContact OG-CG2 3.46Å
344	Q	62.1	Low	58.1	Low	27 Å²	27	76.6 Å²	76.6	13%	0.126	37%	0.371	C	S	.	.	H	α-helix	trans	-69.5	-34.9	175.9	-74	-178	-6.2	0	0	111.3	E325 I340 Y346 I347 R348	E325-Q344 VanDerWaalsContact CD-NE2 3.31Å; E325-Q344 PolarHBondContact OE1-NE2 3.4Å; E325-Q344 PolarHBondContact OE2-NE2 2.96Å; E325-Q344 VanDerWaalsContact OE2-NE2 3.13Å; I340-Q344 HydrophobicContact CG2-CG 3.57Å; I340-Q344 WeakPolarHBondContact O-CB 3.44Å; I340-Q344 PolarHBondContact O-N 3.25Å; Q344-Y346 VanDerWaalsContact C-N 3.34Å; Q344-I347 PolarHBondContact O-N 2.95Å; Q344-R348 VanDerWaalsContact O-CB 3.29Å; Q344-R348 WeakPolarHBondContact O-CB 3.45Å; Q344-R348 WeakPolarHBondContact O-CG 3.18Å; Q344-R348 PolarHBondContact O-N 3.35Å
345	Q	57.2	Low	56.3	Low	102 Å²	102	80.2 Å²	80.2	48%	0.477	40%	0.397	S	S	.	.	H	α-helix	trans	-68.7	-35.5	173.5	-175.8	175.4	14.2	0	0	110.5	N341 E342 R348 N349	N341-Q345 WeakPolarHBondContact O-CA 3.26Å; N341-Q345 WeakPolarHBondContact O-CB 3.25Å; N341-Q345 PolarHBondContact O-N 2.73Å; E342-Q345 PolarHBondContact O-N 3.32Å; Q345-R348 PolarHBondContact O-N 2.95Å; Q345-N349 WeakPolarHBondContact CG-ND2 3.43Å; Q345-N349 WeakPolarHBondContact O-CA 3.31Å; Q345-N349 WeakPolarHBondContact O-CB 3.4Å; Q345-N349 PolarHBondContact O-N 3.12Å; Q345-N349 PolarHBondContact O-OD1 3.28Å
346	Y	55.5	Low	54.6	Low	140 Å²	140	89.8 Å²	89.8	55%	0.549	43%	0.433	S	S	.	.	H	α-helix	trans	-61	-46.1	170.2	-174.4	-92.3	0	0	0	111.3	E342 S343 Q344 N349 A350	E342-Y346 WeakPolarHBondContact O-CB 3.32Å; E342-Y346 PolarHBondContact O-N 2.9Å; S343-Y346 WeakPolarHBondContact O-CB 3.31Å; S343-Y346 PolarHBondContact O-N 3.1Å; Q344-Y346 VanDerWaalsContact C-N 3.34Å; Y346-N349 PolarHBondContact O-N 2.91Å; Y346-A350 VanDerWaalsContact O-CB 3.25Å; Y346-A350 WeakPolarHBondContact O-CB 3.5Å; Y346-A350 PolarHBondContact O-N 2.83Å
347	I	55.1	Low	53.4	Low	19 Å²	19	90.8 Å²	90.8	10%	0.097	44%	0.435	C	S	.	.	H	α-helix	trans	-60	-49.1	174.5	-64.3	165.9	0	0	0	110.8	S343 Q344 N351 V376 L410	S343-I347 WeakPolarHBondContact O-CG1 3.48Å; S343-I347 PolarHBondContact O-N 2.84Å; Q344-I347 PolarHBondContact O-N 2.95Å; I347-N351 PolarHBondContact O-N 3.44Å; I347-N351 PolarHBondContact O-ND2 2.87Å; I347-N351 PolarHBondContact O-OD1 3.35Å; I347-V376 HydrophobicContact CD1-CG1 3.79Å; I347-V376 HydrophobicContact CG1-CG1 3.49Å; I347-V376 VanDerWaalsContact CG1-CG1 3.49Å; I347-V376 HydrophobicContact CG1-CG2 4.43Å; I347-L410 HydrophobicContact CD1-CD2 4.27Å
348	R	54.4	Low	52.4	Low	128 Å²	128	89.4 Å²	89.4	48%	0.483	43%	0.429	S	S	.	.	H	α-helix	trans	-65.6	-40.4	179.5	-77.5	-173.5	-77.9	-116.6	-2.5	112.4	Q344 Q345 N351 L352	Q344-R348 VanDerWaalsContact O-CB 3.29Å; Q344-R348 WeakPolarHBondContact O-CB 3.45Å; Q344-R348 WeakPolarHBondContact O-CG 3.18Å; Q344-R348 PolarHBondContact O-N 3.35Å; Q345-R348 PolarHBondContact O-N 2.95Å; R348-N351 CarbonylContact O-C 3.38Å; R348-N351 WeakPolarHBondContact O-CA 3.44Å; R348-N351 WeakPolarHBondContact O-CB 3.28Å; R348-N351 PolarHBondContact O-N 2.71Å; R348-N351 VanDerWaalsContact O-N 3.11Å; R348-L352 WeakPolarHBondContact O-CB 3.18Å; R348-L352 PolarHBondContact O-N 3.35Å
349	N	49	Very low	51.5	Low	81 Å²	81	93.6 Å²	93.6	43%	0.433	44%	0.441	S	S	.	.	H	α-helix	trans	-73.1	-36.2	179.9	-73.9	-6.6	0	0	0	111.3	Q345 Y346 N351 L352 Y353	Q345-N349 WeakPolarHBondContact CG-ND2 3.43Å; Q345-N349 WeakPolarHBondContact O-CA 3.31Å; Q345-N349 WeakPolarHBondContact O-CB 3.4Å; Q345-N349 PolarHBondContact O-N 3.12Å; Q345-N349 PolarHBondContact O-OD1 3.28Å; Y346-N349 PolarHBondContact O-N 2.91Å; N349-N351 PolarHBondContact O-N 3.36Å; N349-L352 PolarHBondContact O-N 2.81Å; N349-Y353 WeakPolarHBondContact O-CB 3.39Å; N349-Y353 PolarHBondContact O-N 3.33Å
350	A	52.3	Low	50.9	Low	46 Å²	46	96.8 Å²	96.8	38%	0.38	47%	0.468	S	S	.	.	H	α-helix	trans	-58	-36.9	166.7	0	0	0	0	0	110.7	Y346 R354	Y346-A350 VanDerWaalsContact O-CB 3.25Å; Y346-A350 WeakPolarHBondContact O-CB 3.5Å; Y346-A350 PolarHBondContact O-N 2.83Å; A350-R354 WeakPolarHBondContact O-CB 3.43Å; A350-R354 WeakPolarHBondContact O-CG 3.32Å
351	N	46.5	Very low	50.3	Low	65 Å²	65	102.7 Å²	102.7	35%	0.348	50%	0.499	S	S	.	.	H	α-helix	trans	-76.1	-29.1	173.9	-62.4	-21.4	0	0	0	114.2	I347 R348 N349 R354	I347-N351 PolarHBondContact O-N 3.44Å; I347-N351 PolarHBondContact O-ND2 2.87Å; I347-N351 PolarHBondContact O-OD1 3.35Å; R348-N351 CarbonylContact O-C 3.38Å; R348-N351 WeakPolarHBondContact O-CA 3.44Å; R348-N351 WeakPolarHBondContact O-CB 3.28Å; R348-N351 PolarHBondContact O-N 2.71Å; R348-N351 VanDerWaalsContact O-N 3.11Å; N349-N351 PolarHBondContact O-N 3.36Å; N351-R354 WeakPolarHBondContact O-CB 3.4Å; N351-R354 PolarHBondContact OD1-NH2 3.48Å
352	L	40.6	Very low	50.2	Low	114 Å²	114	110 Å²	110	60%	0.597	53%	0.528	S	S	*	.	H	α-helix	trans	-86.7	-40.7	-175.9	-140.7	99.2	0	0	0	112.7	R348 N349 R354 S355	R348-L352 WeakPolarHBondContact O-CB 3.18Å; R348-L352 PolarHBondContact O-N 3.35Å; N349-L352 PolarHBondContact O-N 2.81Å; L352-R354 PolarHBondContact O-N 2.87Å; L352-S355 PolarHBondContact O-N 3.26Å; L352-S355 VanDerWaalsContact O-N 3.07Å
353	Y	40.2	Very low	50.8	Low	190 Å²	190	106.1 Å²	106.1	75%	0.745	51%	0.511	S	S	*	.	H	α-helix	trans	-61.8	-27.7	172.5	-154.1	-96.4	0	0	0	110.7	N349	N349-Y353 WeakPolarHBondContact O-CB 3.39Å; N349-Y353 PolarHBondContact O-N 3.33Å
354	R	47.9	Very low	52	Low	63 Å²	63	109 Å²	109	24%	0.238	53%	0.529	C	S	.	.	H	α-helix	trans	-60.7	-38.8	168.7	-104.2	-177.4	-157.7	160.8	-155.1	114.8	A350 N351 L352 Y369	A350-R354 WeakPolarHBondContact O-CB 3.43Å; A350-R354 WeakPolarHBondContact O-CG 3.32Å; N351-R354 WeakPolarHBondContact O-CB 3.4Å; N351-R354 PolarHBondContact OD1-NH2 3.48Å; L352-R354 PolarHBondContact O-N 2.87Å; R354-Y369 VanDerWaalsContact CZ-CB 3.49Å; R354-Y369 PolarHBondContact NE-O 2.92Å; R354-Y369 PolarHBondContact NH1-O 3.27Å; R354-Y369 PolarHBondContact NH2-O 3.35Å
355	S	43.1	Very low	53.3	Low	96 Å²	96	108 Å²	108	67%	0.671	53%	0.525	S	S	*	.	H	α-helix	trans	-75	-27.9	-176.7	-179.9	0	0	0	0	112.8	L352	L352-S355 PolarHBondContact O-N 3.26Å; L352-S355 VanDerWaalsContact O-N 3.07Å
356	Y	40.9	Very low	54.4	Low	209 Å²	209	104.8 Å²	104.8	82%	0.82	52%	0.518	S	S	*	.	H	α-helix	trans	-85.1	-24.7	-174.2	-106.3	-88.9	0	0	0	114.6
357	K	44	Very low	55.2	Low	165 Å²	165	101.8 Å²	101.8	72%	0.717	51%	0.509	S	S	*	.	H	α-helix	trans	-83	-15.4	-175.6	-143.4	-177.9	-179.1	-173.5	0	114.2
358	N	45.1	Very low	56.2	Low	66 Å²	66	102.7 Å²	102.7	35%	0.353	52%	0.518	S	S	.	.			trans	-113.5	28.2	-161.1	-69.9	-4.7	0	0	0	116.2	A360 E367	N358-A360 PolarHBondContact O-N 2.96Å; N358-E367 WeakPolarHBondContact CB-OE1 3.48Å; N358-E367 WeakPolarHBondContact CB-OE2 3.43Å; N358-E367 PolarHBondContact ND2-OE2 3.49Å
359	K	43.4	Very low	56.8	Low	209 Å²	209	99.1 Å²	99.1	91%	0.909	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	82.5	168.3	-109.4	-177	179	176.1	0	110.3
360	A	47.4	Very low	57.6	Low	98 Å²	98	95.8 Å²	95.8	81%	0.81	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-172.6	-14.9	153.5	0	0	0	0	0	119.3	N358	N358-A360 PolarHBondContact O-N 2.96Å
361	L	50.9	Low	57.7	Low	123 Å²	123	100.2 Å²	100.2	64%	0.644	50%	0.5	S	S	*	.			trans	-128.6	106.8	-174.6	-149.2	77	0	0	0	113	L363	L361-L363 VanDerWaalsContact C-N 3.31Å; L361-L363 HydrophobicContact CD2-CD2 3.8Å; L361-L363 HydrophobicContact CD2-CG 4.32Å; L361-L363 PolarHBondContact O-N 2.82Å
362	K	60.9	Low	57.9	Low	218 Å²	218	102.6 Å²	102.6	95%	0.948	51%	0.509	S	S	*	.			trans	-71.6	86.9	169.7	-74.1	-174.2	177	-176.3	0	109.3
363	L	70.5	Confident	58.3	Low	58 Å²	58	103.9 Å²	103.9	30%	0.304	51%	0.506	S	S	.	.			trans	-67.5	142.9	171.1	-70.3	172.8	0	0	0	110.1	L361 F365 G366	L361-L363 VanDerWaalsContact C-N 3.31Å; L361-L363 HydrophobicContact CD2-CD2 3.8Å; L361-L363 HydrophobicContact CD2-CG 4.32Å; L361-L363 PolarHBondContact O-N 2.82Å; L363-F365 PolarHBondContact O-N 2.78Å; L363-G366 WeakPolarHBondContact CB-O 3.39Å; L363-G366 PolarHBondContact O-N 2.79Å
364	P	84.4	Confident	58.2	Low	72 Å²	72	99.5 Å²	99.5	47%	0.468	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.4	-176.4	-26.2	33.7	0	0	0	114.3	R483	P364-R483 WeakPolarHBondContact O-CB 3.48Å
365	F	89.1	Confident	58.1	Low	7 Å²	7	97.9 Å²	97.9	3%	0.031	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	9.6	-178.9	-60.2	-80.4	0	0	0	113.3	L363 R483 I486 G487 A502 E503 Y506	L363-F365 PolarHBondContact O-N 2.78Å; F365-R483 HydrophobicContact CD1-CB 3.73Å; F365-R483 HydrophobicContact CD1-CG 4.15Å; F365-R483 WeakPolarHBondContact CD1-O 3.45Å; F365-R483 HydrophobicContact CE1-CB 3.82Å; F365-R483 HydrophobicContact CE1-CG 3.71Å; F365-R483 HydrophobicContact CG-CB 4.47Å; F365-R483 HydrophobicContact CZ-CG 4.24Å; F365-I486 HydrophobicContact CD1-CB 4.23Å; F365-I486 HydrophobicContact CD1-CG2 4.14Å; F365-I486 HydrophobicContact CE1-CG2 4.37Å; F365-G487 WeakPolarHBondContact O-CA 3.37Å; F365-A502 HydrophobicContact CB-CB 4.01Å; F365-A502 HydrophobicContact CD1-CB 3.8Å; F365-A502 HydrophobicContact CD2-CB 3.83Å; F365-A502 HydrophobicContact CE1-CB 4.27Å; F365-A502 HydrophobicContact CE2-CB 4.29Å; F365-A502 HydrophobicContact CG-CB 3.57Å; F365-A502 HydrophobicContact CZ-CB 4.49Å; F365-E503 VanDerWaalsContact CE2-CD 3.42Å; F365-E503 HydrophobicContact CE2-CG 4Å; F365-E503 WeakPolarHBondContact CE2-OE1 3.39Å; F365-Y506 AromaticContact CE1-CD2 3.98Å; F365-Y506 HydrophobicContact CE1-CD2 3.98Å; F365-Y506 AromaticContact CE1-CG 3.87Å; F365-Y506 HydrophobicContact CE1-CG 3.87Å; F365-Y506 HydrophobicContact CZ-CD1 4.28Å; F365-Y506 HydrophobicContact CZ-CD2 4.19Å; F365-Y506 AromaticContact CZ-CG 3.73Å; F365-Y506 HydrophobicContact CZ-CG 3.73Å
366	G	81.3	Confident	58.2	Low	33 Å²	33	96.1 Å²	96.1	34%	0.34	48%	0.477	S	S	.	.			trans	73.1	-172	-166.3	0	0	0	0	0	112.3	L363	L363-G366 WeakPolarHBondContact CB-O 3.39Å; L363-G366 PolarHBondContact O-N 2.79Å
367	E	73	Confident	58.4	Low	77 Å²	77	89.2 Å²	89.2	36%	0.36	46%	0.458	S	S	.	.			trans	-95	136.3	-174.7	-64.4	-174.1	171.2	0	0	111.5	N358 N491	N358-E367 WeakPolarHBondContact CB-OE1 3.48Å; N358-E367 WeakPolarHBondContact CB-OE2 3.43Å; N358-E367 PolarHBondContact ND2-OE2 3.49Å; E367-N491 PolarHBondContact O-ND2 3.36Å
368	S	76.2	Confident	58.8	Low	39 Å²	39	82.2 Å²	82.2	27%	0.273	43%	0.427	S	S	.	.			trans	-69.7	134	164.7	-173.6	0	0	0	0	109.1	V370 N491 H498	S368-V370 PolarHBondContact OG-N 2.81Å; S368-N491 WeakPolarHBondContact CA-OD1 3.4Å; S368-H498 VanDerWaalsContact CB-CB 3.44Å; S368-H498 VanDerWaalsContact CB-CG 3.44Å; S368-H498 VanDerWaalsContact OG-CB 3.29Å; S368-H498 WeakPolarHBondContact OG-CB 3.29Å
369	Y	66.6	Low	59.2	Low	52 Å²	52	82.9 Å²	82.9	20%	0.204	44%	0.436	C	S	.	.			trans	-101.7	1	173.4	70.9	-130	0	0	0	112.2	R354 E371 P411 N491	R354-Y369 VanDerWaalsContact CZ-CB 3.49Å; R354-Y369 PolarHBondContact NE-O 2.92Å; R354-Y369 PolarHBondContact NH1-O 3.27Å; R354-Y369 PolarHBondContact NH2-O 3.35Å; Y369-E371 PolarHBondContact O-N 3.01Å; Y369-E371 VanDerWaalsContact O-N 3.11Å; Y369-P411 HydrophobicContact CE2-CB 4.13Å; Y369-N491 HydrophobicContact CD1-CB 3.83Å; Y369-N491 WeakPolarHBondContact CD1-OD1 3.42Å; Y369-N491 HydrophobicContact CE1-CB 3.31Å; Y369-N491 VanDerWaalsContact CE1-CG 3.46Å; Y369-N491 HydrophobicContact CE2-CB 4.29Å; Y369-N491 PolarHBondContact N-OD1 3.48Å; Y369-N491 PolarHBondContact OH-O 3.34Å
370	V	64.9	Low	60.1	Low	12 Å²	12	73.3 Å²	73.3	7%	0.073	40%	0.396	C	S	.	.			trans	-84	85.7	-176.4	-173.2	0	0	0	0	109.9	S368 N494 F496 V688	S368-V370 PolarHBondContact OG-N 2.81Å; V370-N494 WeakPolarHBondContact CG1-OD1 3.25Å; V370-N494 WeakPolarHBondContact CG2-OD1 3.33Å; V370-F496 HydrophobicContact CG1-CD2 4.38Å; V370-V688 HydrophobicContact CG1-CG2 4.26Å
371	E	54.3	Low	61.1	Low	138 Å²	138	75.8 Å²	75.8	65%	0.645	39%	0.391	S	S	*	.			trans	-80.9	-30.6	-174.9	-69.9	-160.7	166.6	0	0	115	Y369	Y369-E371 PolarHBondContact O-N 3.01Å; Y369-E371 VanDerWaalsContact O-N 3.11Å
372	Q	50.8	Low	62.2	Low	116 Å²	116	70.6 Å²	70.6	54%	0.542	36%	0.364	S	S	.	.	S	Bend	trans	-141.2	161.2	-178.8	-68.1	-172	-4.3	0	0	109.8	L374	Q372-L374 HydrophobicContact CB-CB 3.97Å; Q372-L374 HydrophobicContact CB-CD1 4.09Å; Q372-L374 HydrophobicContact CB-CG 3.67Å; Q372-L374 HydrophobicContact CG-CD1 4.49Å; Q372-L374 HydrophobicContact CG-CG 4.49Å; Q372-L374 PolarHBondContact O-N 2.96Å
373	R	48.4	Very low	63.3	Low	141 Å²	141	64.8 Å²	64.8	53%	0.532	34%	0.343	S	S	.	.	S	Bend	trans	-62	20.6	162.9	-74	-175.9	-175.9	-179.3	2.6	113	T375 E686 V688	R373-T375 PolarHBondContact O-N 3.1Å; R373-E686 IonicContact CZ-OE2 3.48Å; R373-E686 IonicContact NH2-OE2 2.91Å; R373-E686 PolarHBondContact NH2-OE2 3.48Å; R373-V688 VanDerWaalsContact CA-CG1 3.41Å; R373-V688 HydrophobicContact CB-CG1 3.79Å; R373-V688 HydrophobicContact CB-CG2 4.3Å; R373-V688 HydrophobicContact CG-CG1 4.29Å; R373-V688 HydrophobicContact CG-CG2 4.15Å; R373-V688 WeakPolarHBondContact O-CG1 3.38Å
374	L	39.8	Very low	63.9	Low	97 Å²	97	62.3 Å²	62.3	51%	0.508	33%	0.331	S	S	.	.			trans	-81.5	111.7	-176.1	-77.2	-174.8	0	0	0	111.1	Q372	Q372-L374 HydrophobicContact CB-CB 3.97Å; Q372-L374 HydrophobicContact CB-CD1 4.09Å; Q372-L374 HydrophobicContact CB-CG 3.67Å; Q372-L374 HydrophobicContact CG-CD1 4.49Å; Q372-L374 HydrophobicContact CG-CG 4.49Å; Q372-L374 PolarHBondContact O-N 2.96Å
375	T	45.6	Very low	64.1	Low	30 Å²	30	66.1 Å²	66.1	18%	0.184	34%	0.337	C	S	.	.			trans	-54.2	127.6	146.6	47.2	0	0	0	0	111.7	R373 P377 S691	R373-T375 PolarHBondContact O-N 3.1Å; T375-P377 WeakPolarHBondContact O-CD 3.44Å; T375-P377 VanDerWaalsContact O-N 3.12Å; T375-S691 WeakPolarHBondContact CB-OG 3.32Å; T375-S691 WeakPolarHBondContact CG2-OG 3.36Å; T375-S691 PolarHBondContact OG1-OG 2.94Å
376	V	43.8	Very low	64.1	Low	59 Å²	59	67.4 Å²	67.4	36%	0.358	35%	0.349	S	S	.	.			trans	-55.5	117.7	166.3	177	0	0	0	0	108.6	R318 I347 Y378	R318-V376 VanDerWaalsContact CZ-O 3.27Å; R318-V376 PolarHBondContact NE-O 2.94Å; R318-V376 VanDerWaalsContact NE-O 3.15Å; I347-V376 HydrophobicContact CD1-CG1 3.79Å; I347-V376 HydrophobicContact CG1-CG1 3.49Å; I347-V376 VanDerWaalsContact CG1-CG1 3.49Å; I347-V376 HydrophobicContact CG1-CG2 4.43Å; V376-Y378 PolarHBondContact O-N 3.22Å
377	P	46.4	Very low	64.6	Low	63 Å²	63	65.9 Å²	65.9	41%	0.409	33%	0.333	S	S	.	.			trans	-71.6	92.5	172.7	-11.3	27.9	0	0	0	109	T375 S379	T375-P377 WeakPolarHBondContact O-CD 3.44Å; T375-P377 VanDerWaalsContact O-N 3.12Å; P377-S379 VanDerWaalsContact C-N 3.33Å; P377-S379 PolarHBondContact O-N 3.32Å
378	Y	52.7	Low	65.5	Low	19 Å²	19	62.3 Å²	62.3	8%	0.075	32%	0.317	C	S	.	.			trans	-72.4	92.5	160.3	-155.5	-103.7	0	0	0	108.9	R318 Y321 I324 S343 V376 V380	R318-Y378 PolarHBondContact NH1-O 3.24Å; Y321-Y378 HydrophobicContact CD2-CD1 4.29Å; Y321-Y378 AromaticContact CD2-CD2 3.46Å; Y321-Y378 HydrophobicContact CD2-CD2 3.46Å; Y321-Y378 VanDerWaalsContact CD2-CD2 3.46Å; Y321-Y378 HydrophobicContact CD2-CE1 4.2Å; Y321-Y378 AromaticContact CD2-CE2 3.36Å; Y321-Y378 HydrophobicContact CD2-CE2 3.36Å; Y321-Y378 AromaticContact CD2-CG 3.91Å; Y321-Y378 HydrophobicContact CD2-CG 3.91Å; Y321-Y378 AromaticContact CD2-CZ 3.73Å; Y321-Y378 AromaticContact CE2-CD2 3.94Å; Y321-Y378 HydrophobicContact CE2-CD2 3.94Å; Y321-Y378 AromaticContact CE2-CE2 3.59Å; Y321-Y378 HydrophobicContact CE2-CE2 3.59Å; I324-Y378 HydrophobicContact CB-CE1 4.12Å; I324-Y378 HydrophobicContact CD1-CD1 4.31Å; I324-Y378 HydrophobicContact CD1-CE1 3.59Å; I324-Y378 HydrophobicContact CG1-CE1 4.43Å; I324-Y378 HydrophobicContact CG2-CE1 4.06Å; I324-Y378 WeakPolarHBondContact CG2-OH 3.33Å; S343-Y378 VanDerWaalsContact OG-CE2 3.31Å; S343-Y378 WeakPolarHBondContact OG-CE2 3.46Å; V376-Y378 PolarHBondContact O-N 3.22Å; Y378-V380 HydrophobicContact CD1-CB 4.3Å; Y378-V380 HydrophobicContact CD1-CG2 4.32Å; Y378-V380 HydrophobicContact CD2-CG2 4.34Å; Y378-V380 HydrophobicContact CE1-CB 3.77Å; Y378-V380 HydrophobicContact CE1-CG2 3.82Å; Y378-V380 HydrophobicContact CE2-CG2 3.87Å
379	S	52.7	Low	66.3	Low	79 Å²	79	66.9 Å²	66.9	55%	0.552	33%	0.329	S	S	*	.			trans	-98.7	3.8	-176.2	55.8	0	0	0	0	113.6	P377 Q381	P377-S379 VanDerWaalsContact C-N 3.33Å; P377-S379 PolarHBondContact O-N 3.32Å; S379-Q381 PolarHBondContact O-N 3.04Å
380	V	63.3	Low	67.5	Low	9 Å²	9	64.4 Å²	64.4	6%	0.055	32%	0.319	C	S	.	.			trans	-59	112.2	-176.7	-172.7	0	0	0	0	109.6	A339 I340 S343 Y378 V382	A339-V380 HydrophobicContact CB-CG1 3.89Å; I340-V380 HydrophobicContact CG1-CG1 4.25Å; S343-V380 WeakPolarHBondContact OG-CG2 3.46Å; Y378-V380 HydrophobicContact CD1-CB 4.3Å; Y378-V380 HydrophobicContact CD1-CG2 4.32Å; Y378-V380 HydrophobicContact CD2-CG2 4.34Å; Y378-V380 HydrophobicContact CE1-CB 3.77Å; Y378-V380 HydrophobicContact CE1-CG2 3.82Å; Y378-V380 HydrophobicContact CE2-CG2 3.87Å; V380-V382 HydrophobicContact CG1-CG2 3.72Å; V380-V382 PolarHBondContact O-N 2.98Å
381	Q	67.3	Low	68.9	Low	150 Å²	150	63.9 Å²	63.9	70%	0.701	32%	0.316	S	S	*	.			trans	-76.9	114.5	172.1	-67.8	-156	-21.1	0	0	108.8	S379 Y696	S379-Q381 PolarHBondContact O-N 3.04Å; Q381-Y696 PolarHBondContact NE2-OH 3.03Å
382	V	74.5	Confident	70.7	Confident	14 Å²	14	59 Å²	59	9%	0.085	29%	0.291	C	S	.	.			trans	-123	137.7	175.5	178.7	0	0	0	0	107.6	R320 I324 V335 V380 A384 L387	R320-V382 PolarHBondContact NH2-O 3Å; I324-V382 HydrophobicContact CD1-CB 4.06Å; I324-V382 HydrophobicContact CD1-CG2 3.64Å; I324-V382 HydrophobicContact CG1-CB 4.33Å; I324-V382 HydrophobicContact CG1-CG2 3.97Å; I324-V382 HydrophobicContact CG2-CG2 4.09Å; V335-V382 HydrophobicContact CG2-CG1 4.05Å; V380-V382 HydrophobicContact CG1-CG2 3.72Å; V380-V382 PolarHBondContact O-N 2.98Å; V382-A384 PolarHBondContact O-N 2.9Å; V382-L387 HydrophobicContact CG1-CB 4.26Å; V382-L387 HydrophobicContact CG1-CD1 3.97Å
383	D	83.2	Confident	72.7	Confident	96 Å²	96	59.1 Å²	59.1	51%	0.513	29%	0.288	S	S	.	.			trans	-67.2	99.8	165.6	-177.8	-18.1	0	0	0	108.6	Y385 A386 L387	D383-Y385 VanDerWaalsContact C-N 3.26Å; D383-Y385 PolarHBondContact O-N 2.03Å; D383-Y385 PolarHBondContact OD1-N 3.17Å; D383-A386 HydrophobicContact CB-CB 3.84Å; D383-A386 PolarHBondContact O-N 2.95Å; D383-A386 PolarHBondContact OD1-N 3.06Å; D383-L387 PolarHBondContact O-N 2.92Å
384	A	84.3	Confident	74.9	Confident	6 Å²	6	56.5 Å²	56.5	5%	0.05	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-30.2	-176.5	0	0	0	0	0	112.2	T233 D235 A237 V382 L387 I388	T233-A384 HydrophobicContact CG2-CB 4.19Å; D235-A384 WeakPolarHBondContact OD2-CB 3.18Å; A237-A384 HydrophobicContact CB-CB 3.52Å; V382-A384 PolarHBondContact O-N 2.9Å; A384-L387 PolarHBondContact O-N 2.85Å; A384-I388 VanDerWaalsContact O-CG1 3.27Å; A384-I388 WeakPolarHBondContact O-CG1 3.46Å; A384-I388 PolarHBondContact O-N 2.57Å
385	Y	87	Confident	77.5	Confident	152 Å²	152	53.4 Å²	53.4	60%	0.596	26%	0.264	S	S	*	.	H	α-helix	trans	-71.4	-41.6	175.9	-72.1	-77	0	0	0	111.2	A237 D383 L387 I388 Y389	A237-Y385 HydrophobicContact CB-CD1 3.91Å; A237-Y385 HydrophobicContact CB-CD2 4.31Å; A237-Y385 HydrophobicContact CB-CE1 4Å; A237-Y385 HydrophobicContact CB-CE2 4.39Å; A237-Y385 HydrophobicContact CB-CG 4.07Å; D383-Y385 VanDerWaalsContact C-N 3.26Å; D383-Y385 PolarHBondContact O-N 2.03Å; D383-Y385 PolarHBondContact OD1-N 3.17Å; Y385-L387 VanDerWaalsContact C-N 3.33Å; Y385-I388 PolarHBondContact O-N 3.47Å; Y385-Y389 VanDerWaalsContact O-CB 3.28Å; Y385-Y389 WeakPolarHBondContact O-CB 3.24Å; Y385-Y389 PolarHBondContact O-N 2.92Å
386	A	90.3	Very high	79.9	Confident	33 Å²	33	55 Å²	55	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-64.1	-38.6	173.5	0	0	0	0	0	111.9	D383 Y389 C390	D383-A386 HydrophobicContact CB-CB 3.84Å; D383-A386 PolarHBondContact O-N 2.95Å; D383-A386 PolarHBondContact OD1-N 3.06Å; A386-Y389 WeakPolarHBondContact O-CB 3.34Å; A386-Y389 PolarHBondContact O-N 2.79Å; A386-C390 PolarHBondContact O-N 2.69Å
387	L	90.8	Very high	82.3	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-52.1	173.7	-178.6	156.4	0	0	0	111.1	T233 I324 A327 S334 V335 V382 D383 A384 Y385 Y389 C390 L391	T233-L387 HydrophobicContact CG2-CD2 4.36Å; I324-L387 HydrophobicContact CG1-CD1 3.94Å; A327-L387 HydrophobicContact CB-CD1 3.58Å; A327-L387 HydrophobicContact CB-CD2 4.28Å; A327-L387 HydrophobicContact CB-CG 3.61Å; S334-L387 VanDerWaalsContact OG-CA 3.26Å; S334-L387 WeakPolarHBondContact OG-CA 3.49Å; S334-L387 PolarHBondContact OG-N 3.1Å; V335-L387 HydrophobicContact CG2-CD1 4.2Å; V382-L387 HydrophobicContact CG1-CB 4.26Å; V382-L387 HydrophobicContact CG1-CD1 3.97Å; D383-L387 PolarHBondContact O-N 2.92Å; A384-L387 PolarHBondContact O-N 2.85Å; Y385-L387 VanDerWaalsContact C-N 3.33Å; L387-Y389 VanDerWaalsContact C-N 3.27Å; L387-Y389 PolarHBondContact O-N 3.49Å; L387-C390 WeakPolarHBondContact O-CB 3.46Å; L387-C390 PolarHBondContact O-N 3.44Å; L387-L391 HydrophobicContact CD2-CD1 3.67Å; L387-L391 HydrophobicContact CD2-CG 4.25Å; L387-L391 WeakPolarHBondContact O-CG 3.26Å; L387-L391 PolarHBondContact O-N 2.7Å
388	I	92.3	Very high	84.6	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-33.3	179	-65.8	-61.8	0	0	0	111.2	L231 T233 A237 S238 A384 Y385 L391 R392	L231-I388 HydrophobicContact CD2-CD1 3.5Å; T233-I388 HydrophobicContact CG2-CD1 4.01Å; T233-I388 HydrophobicContact CG2-CG1 4.08Å; A237-I388 HydrophobicContact CB-CG1 4.27Å; S238-I388 VanDerWaalsContact CB-CD1 3.49Å; A384-I388 VanDerWaalsContact O-CG1 3.27Å; A384-I388 WeakPolarHBondContact O-CG1 3.46Å; A384-I388 PolarHBondContact O-N 2.57Å; Y385-I388 PolarHBondContact O-N 3.47Å; I388-L391 PolarHBondContact O-N 3.46Å; I388-R392 HydrophobicContact CG2-CG 4.18Å; I388-R392 VanDerWaalsContact CG2-NH1 3.32Å; I388-R392 WeakPolarHBondContact O-CB 3.34Å; I388-R392 VanDerWaalsContact O-CG 3.22Å; I388-R392 WeakPolarHBondContact O-CG 3.15Å; I388-R392 PolarHBondContact O-N 3.22Å
389	Y	92.6	Very high	86.6	Confident	134 Å²	134	57.8 Å²	57.8	53%	0.525	28%	0.279	S	S	.	.	H	α-helix	trans	-60.5	-49.3	172.8	-177.2	-85.3	0	0	0	111.4	Y385 A386 L387 L391 R392 Y393	Y385-Y389 VanDerWaalsContact O-CB 3.28Å; Y385-Y389 WeakPolarHBondContact O-CB 3.24Å; Y385-Y389 PolarHBondContact O-N 2.92Å; A386-Y389 WeakPolarHBondContact O-CB 3.34Å; A386-Y389 PolarHBondContact O-N 2.79Å; L387-Y389 VanDerWaalsContact C-N 3.27Å; L387-Y389 PolarHBondContact O-N 3.49Å; Y389-L391 PolarHBondContact O-N 2.78Å; Y389-R392 PolarHBondContact O-N 3.15Å; Y389-Y393 HydrophobicContact CD1-CD2 4.45Å; Y389-Y393 AromaticContact CD2-CD2 3.53Å; Y389-Y393 HydrophobicContact CD2-CD2 3.53Å; Y389-Y393 AromaticContact CD2-CE2 3.85Å; Y389-Y393 HydrophobicContact CD2-CE2 3.85Å; Y389-Y393 HydrophobicContact CE1-CD2 4.48Å; Y389-Y393 AromaticContact CE2-CD2 3.57Å; Y389-Y393 HydrophobicContact CE2-CD2 3.57Å; Y389-Y393 AromaticContact CE2-CE2 3.98Å; Y389-Y393 HydrophobicContact CE2-CE2 3.98Å; Y389-Y393 HydrophobicContact CE2-CG 4.38Å; Y389-Y393 AromaticContact CG-CD2 3.99Å; Y389-Y393 HydrophobicContact CG-CD2 3.99Å; Y389-Y393 WeakPolarHBondContact O-CD2 3.16Å; Y389-Y393 PolarHBondContact O-N 2.93Å
390	C	93.5	Very high	88.6	Confident	1 Å²	1	54 Å²	54	1%	0.007	25%	0.252	C	S	.	.	I	π-helix	trans	-55.3	-51.5	175.2	172.1	0	0	0	0	111.3	C332 A386 L387 R392 Y393 E394 K395	C332-C390 WeakPolarHBondContact CA-SG 3.48Å; C332-C390 HydrophobicContact CB-CB 3.68Å; C332-C390 WeakPolarHBondContact CB-SG 3.38Å; C332-C390 WeakPolarHBondContact SG-CB 3.47Å; C332-C390 CovalentContact SG-SG 2.04Å; C332-C390 PolarHBondContact SG-SG 3.32Å; A386-C390 PolarHBondContact O-N 2.69Å; L387-C390 WeakPolarHBondContact O-CB 3.46Å; L387-C390 PolarHBondContact O-N 3.44Å; C390-R392 VanDerWaalsContact C-N 3.26Å; C390-R392 PolarHBondContact O-N 2.99Å; C390-Y393 PolarHBondContact O-N 3.44Å; C390-E394 WeakPolarHBondContact O-CA 3.31Å; C390-E394 WeakPolarHBondContact O-CB 3.18Å; C390-E394 PolarHBondContact O-N 2.85Å; C390-E394 PolarHBondContact SG-OE2 3Å; C390-K395 PolarHBondContact O-N 3.09Å
391	L	94	Very high	89.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-65.2	-26.9	-179.2	-62.5	-177.9	0	0	0	113.2	R123 F124 L231 L330 L387 I388 Y389	R123-L391 PolarHBondContact NH1-O 3.28Å; F124-L391 HydrophobicContact CD2-CB 4.49Å; F124-L391 HydrophobicContact CE2-CB 3.58Å; F124-L391 HydrophobicContact CE2-CD1 4.42Å; F124-L391 HydrophobicContact CZ-CB 4.17Å; F124-L391 HydrophobicContact CZ-CD1 4.46Å; L231-L391 HydrophobicContact CD1-CD1 3.58Å; L330-L391 HydrophobicContact CD1-CD2 3.36Å; L387-L391 HydrophobicContact CD2-CD1 3.67Å; L387-L391 HydrophobicContact CD2-CG 4.25Å; L387-L391 WeakPolarHBondContact O-CG 3.26Å; L387-L391 PolarHBondContact O-N 2.7Å; I388-L391 PolarHBondContact O-N 3.46Å; Y389-L391 PolarHBondContact O-N 2.78Å
392	R	92.3	Very high	91	Very high	36 Å²	36	51.8 Å²	51.8	14%	0.136	25%	0.245	C	C	.	.	I	π-helix	trans	-83.8	-39.8	179.1	-76.2	-179.5	177.6	144.8	4.5	113.6	R123 F124 I388 Y389 C390	R123-R392 HydrophobicContact CB-CG 4.24Å; R123-R392 PolarHBondContact NH1-O 2.88Å; R123-R392 VanDerWaalsContact NH1-O 3.15Å; R123-R392 PolarHBondContact O-NE 2.96Å; F124-R392 HydrophobicContact CD2-CG 3.76Å; F124-R392 HydrophobicContact CE2-CG 4.29Å; F124-R392 PolarHBondContact O-NH2 3.14Å; I388-R392 HydrophobicContact CG2-CG 4.18Å; I388-R392 VanDerWaalsContact CG2-NH1 3.32Å; I388-R392 WeakPolarHBondContact O-CB 3.34Å; I388-R392 VanDerWaalsContact O-CG 3.22Å; I388-R392 WeakPolarHBondContact O-CG 3.15Å; I388-R392 PolarHBondContact O-N 3.22Å; Y389-R392 PolarHBondContact O-N 3.15Å; C390-R392 VanDerWaalsContact C-N 3.26Å; C390-R392 PolarHBondContact O-N 2.99Å
393	Y	92.2	Very high	91.8	Very high	118 Å²	118	51.6 Å²	51.6	46%	0.463	25%	0.245	S	C	.	.	I	π-helix	trans	-119.5	-21.5	-164.9	-60.8	-68.2	0	0	0	114.1	G121 Y389 C390	G121-Y393 WeakPolarHBondContact CA-OH 3.36Å; Y389-Y393 HydrophobicContact CD1-CD2 4.45Å; Y389-Y393 AromaticContact CD2-CD2 3.53Å; Y389-Y393 HydrophobicContact CD2-CD2 3.53Å; Y389-Y393 AromaticContact CD2-CE2 3.85Å; Y389-Y393 HydrophobicContact CD2-CE2 3.85Å; Y389-Y393 HydrophobicContact CE1-CD2 4.48Å; Y389-Y393 AromaticContact CE2-CD2 3.57Å; Y389-Y393 HydrophobicContact CE2-CD2 3.57Å; Y389-Y393 AromaticContact CE2-CE2 3.98Å; Y389-Y393 HydrophobicContact CE2-CE2 3.98Å; Y389-Y393 HydrophobicContact CE2-CG 4.38Å; Y389-Y393 AromaticContact CG-CD2 3.99Å; Y389-Y393 HydrophobicContact CG-CD2 3.99Å; Y389-Y393 WeakPolarHBondContact O-CD2 3.16Å; Y389-Y393 PolarHBondContact O-N 2.93Å; C390-Y393 PolarHBondContact O-N 3.44Å
394	E	94.6	Very high	92	Very high	87 Å²	87	47.5 Å²	47.5	41%	0.407	22%	0.223	S	C	.	.	I	π-helix	trans	-107.1	-5.1	-176.8	-56.3	178.5	-170.6	0	0	113.6	C390	C390-E394 WeakPolarHBondContact O-CA 3.31Å; C390-E394 WeakPolarHBondContact O-CB 3.18Å; C390-E394 PolarHBondContact O-N 2.85Å; C390-E394 PolarHBondContact SG-OE2 3Å
395	K	94.9	Very high	91.8	Very high	32 Å²	32	49 Å²	49	14%	0.139	23%	0.23	C	C	.	.	S	Bend	trans	-128.3	137.8	-176.5	-57	-63.5	167.5	-73.9	0	110.9	R123 L330 C390 I400	R123-K395 PolarHBondContact NH1-O 3.43Å; L330-K395 HydrophobicContact CB-CD 4.05Å; L330-K395 HydrophobicContact CB-CG 4.33Å; L330-K395 HydrophobicContact CD1-CG 4.41Å; L330-K395 HydrophobicContact CD2-CD 4.25Å; L330-K395 WeakPolarHBondContact O-CE 2.71Å; C390-K395 PolarHBondContact O-N 3.09Å; K395-I400 HydrophobicContact CB-CD1 4.25Å; K395-I400 HydrophobicContact CB-CG1 4.1Å
396	T	95.5	Very high	91.4	Very high	63 Å²	63	47 Å²	47	39%	0.387	23%	0.226	S	C	.	.			trans	-79.1	165.3	171.9	82.9	0	0	0	0	110.4	E398 Q399 I400	T396-E398 VanDerWaalsContact C-N 3.3Å; T396-E398 VanDerWaalsContact CB-OE2 3.23Å; T396-E398 WeakPolarHBondContact CB-OE2 3.49Å; T396-E398 PolarHBondContact OG1-N 3.22Å; T396-E398 PolarHBondContact OG1-OE2 3.46Å; T396-Q399 WeakPolarHBondContact OG1-CG 3.29Å; T396-Q399 PolarHBondContact OG1-N 2.91Å; T396-I400 WeakPolarHBondContact O-CG1 3.47Å; T396-I400 PolarHBondContact O-N 3.44Å
397	A	94.8	Very high	90.8	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-39.1	178.1	0	0	0	0	0	111.8	M148 E166 F228 I400 N401	M148-A397 HydrophobicContact CE-CB 3.68Å; M148-A397 HydrophobicContact CG-CB 4.22Å; M148-A397 HydrophobicContact SD-CB 4.29Å; E166-A397 HydrophobicContact CG-CB 3.51Å; E166-A397 WeakPolarHBondContact OE2-CB 3.11Å; F228-A397 HydrophobicContact CE1-CB 4.17Å; F228-A397 HydrophobicContact CZ-CB 4.01Å; A397-I400 PolarHBondContact O-N 3Å; A397-N401 WeakPolarHBondContact O-CB 3.24Å; A397-N401 PolarHBondContact O-N 3.26Å
398	E	93.3	Very high	89.7	Confident	105 Å²	105	51.9 Å²	51.9	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-47.1	179.4	-58.2	70.9	-152.6	0	0	110.2	T396 I400 N401 D402	T396-E398 VanDerWaalsContact C-N 3.3Å; T396-E398 VanDerWaalsContact CB-OE2 3.23Å; T396-E398 WeakPolarHBondContact CB-OE2 3.49Å; T396-E398 PolarHBondContact OG1-N 3.22Å; T396-E398 PolarHBondContact OG1-OE2 3.46Å; E398-I400 VanDerWaalsContact C-N 3.31Å; E398-I400 PolarHBondContact O-N 3.09Å; E398-N401 WeakPolarHBondContact O-CB 3.42Å; E398-N401 PolarHBondContact O-N 2.99Å; E398-N401 VanDerWaalsContact O-N 3.1Å; E398-D402 VanDerWaalsContact O-CG 3.28Å; E398-D402 PolarHBondContact O-N 3.46Å
399	Q	94.9	Very high	88.3	Confident	91 Å²	91	53.6 Å²	53.6	43%	0.425	26%	0.255	S	S	.	.	H	α-helix	trans	-56.8	-44.7	176.1	-71.5	177.3	-43	0	0	112.1	L330 T396 A403	L330-Q399 HydrophobicContact CD2-CB 4.12Å; L330-Q399 WeakPolarHBondContact CD2-O 3.43Å; T396-Q399 WeakPolarHBondContact OG1-CG 3.29Å; T396-Q399 PolarHBondContact OG1-N 2.91Å; Q399-A403 WeakPolarHBondContact O-CB 3.46Å; Q399-A403 PolarHBondContact O-N 2.68Å; Q399-A403 VanDerWaalsContact O-N 3.08Å
400	I	94.6	Very high	86.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-45	177.3	-67.4	166.5	0	0	0	110.4	F124 P227 F228 L326 L330 K395 T396 A397 E398 A403 V404	F124-I400 HydrophobicContact CZ-CD1 4.4Å; P227-I400 HydrophobicContact CB-CG2 4.45Å; P227-I400 HydrophobicContact CG-CG2 3.74Å; F228-I400 HydrophobicContact CE1-CD1 4.13Å; F228-I400 HydrophobicContact CE1-CG2 4.44Å; F228-I400 HydrophobicContact CE2-CB 4.3Å; F228-I400 HydrophobicContact CE2-CG2 3.77Å; F228-I400 HydrophobicContact CZ-CB 3.78Å; F228-I400 HydrophobicContact CZ-CD1 4.13Å; F228-I400 HydrophobicContact CZ-CG2 3.64Å; L326-I400 HydrophobicContact CD2-CG2 4.26Å; L330-I400 HydrophobicContact CD1-CB 4.5Å; L330-I400 HydrophobicContact CD1-CG1 3.83Å; K395-I400 HydrophobicContact CB-CD1 4.25Å; K395-I400 HydrophobicContact CB-CG1 4.1Å; T396-I400 WeakPolarHBondContact O-CG1 3.47Å; T396-I400 PolarHBondContact O-N 3.44Å; A397-I400 PolarHBondContact O-N 3Å; E398-I400 VanDerWaalsContact C-N 3.31Å; E398-I400 PolarHBondContact O-N 3.09Å; I400-A403 PolarHBondContact O-N 3.07Å; I400-V404 WeakPolarHBondContact O-CG2 3.44Å; I400-V404 PolarHBondContact O-N 3.12Å; I400-V404 VanDerWaalsContact O-N 3.12Å
401	N	91.3	Very high	85.1	Confident	15 Å²	15	51.3 Å²	51.3	8%	0.08	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-40.8	-178.6	-165.3	50.7	0	0	0	112.3	M148 Q149 P150 A397 E398 V404	M148-N401 HydrophobicContact CG-CB 4.1Å; M148-N401 HydrophobicContact SD-CB 3.99Å; Q149-N401 VanDerWaalsContact CA-OD1 3.28Å; Q149-N401 WeakPolarHBondContact CA-OD1 3.33Å; Q149-N401 PolarHBondContact O-ND2 2.86Å; P150-N401 WeakPolarHBondContact CA-ND2 3.47Å; P150-N401 WeakPolarHBondContact CD-OD1 3.47Å; P150-N401 VanDerWaalsContact N-OD1 3.16Å; A397-N401 WeakPolarHBondContact O-CB 3.24Å; A397-N401 PolarHBondContact O-N 3.26Å; E398-N401 WeakPolarHBondContact O-CB 3.42Å; E398-N401 PolarHBondContact O-N 2.99Å; E398-N401 VanDerWaalsContact O-N 3.1Å; N401-V404 WeakPolarHBondContact O-CB 3.46Å; N401-V404 PolarHBondContact O-N 2.71Å
402	D	90.3	Very high	83.2	Confident	98 Å²	98	52.4 Å²	52.4	52%	0.524	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-43.7	176.5	-67	-18.2	0	0	0	110.8	E398 V404 L405	E398-D402 VanDerWaalsContact O-CG 3.28Å; E398-D402 PolarHBondContact O-N 3.46Å; D402-V404 PolarHBondContact O-N 2.97Å; D402-L405 WeakPolarHBondContact O-CB 2.9Å; D402-L405 PolarHBondContact O-N 3.35Å; D402-L405 VanDerWaalsContact O-N 3.09Å
403	A	90.5	Very high	81.4	Confident	10 Å²	10	51.1 Å²	51.1	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-25.8	178.1	0	0	0	0	0	113.5	L326 R329 L330 Q399 I400 L405 E406	L326-A403 HydrophobicContact CD1-CB 3.77Å; R329-A403 HydrophobicContact CB-CB 4.29Å; L330-A403 HydrophobicContact CD2-CB 3.72Å; L330-A403 HydrophobicContact CG-CB 3.92Å; Q399-A403 WeakPolarHBondContact O-CB 3.46Å; Q399-A403 PolarHBondContact O-N 2.68Å; Q399-A403 VanDerWaalsContact O-N 3.08Å; I400-A403 PolarHBondContact O-N 3.07Å; A403-L405 VanDerWaalsContact C-N 3.27Å; A403-L405 PolarHBondContact O-N 3.12Å; A403-E406 PolarHBondContact O-N 3.1Å
404	V	87.5	Confident	79.7	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-64.9	-31.9	174.9	167.1	0	0	0	0	111.8	P227 L326 I400 N401 D402 E406 L407 W418	P227-V404 HydrophobicContact CG-CG2 3.59Å; L326-V404 HydrophobicContact CD1-CG2 4.17Å; I400-V404 WeakPolarHBondContact O-CG2 3.44Å; I400-V404 PolarHBondContact O-N 3.12Å; I400-V404 VanDerWaalsContact O-N 3.12Å; N401-V404 WeakPolarHBondContact O-CB 3.46Å; N401-V404 PolarHBondContact O-N 2.71Å; D402-V404 PolarHBondContact O-N 2.97Å; V404-E406 PolarHBondContact O-N 3.06Å; V404-L407 HydrophobicContact CG2-CD1 4.44Å; V404-L407 PolarHBondContact O-N 2.85Å; V404-W418 HydrophobicContact CG2-CZ2 4.31Å
405	L	80.9	Confident	78.1	Confident	37 Å²	37	45 Å²	45	19%	0.194	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.6	-179.5	-67.6	175.6	0	0	0	113.3	P150 D402 A403 Y834	P150-L405 HydrophobicContact CB-CD1 4.29Å; P150-L405 HydrophobicContact CB-CD2 3.8Å; P150-L405 HydrophobicContact CB-CG 4.29Å; P150-L405 HydrophobicContact CG-CD2 3.61Å; P150-L405 HydrophobicContact CG-CG 4.09Å; D402-L405 WeakPolarHBondContact O-CB 2.9Å; D402-L405 PolarHBondContact O-N 3.35Å; D402-L405 VanDerWaalsContact O-N 3.09Å; A403-L405 VanDerWaalsContact C-N 3.27Å; A403-L405 PolarHBondContact O-N 3.12Å; L405-Y834 HydrophobicContact CB-CD1 4.33Å; L405-Y834 HydrophobicContact CD2-CD1 4.02Å; L405-Y834 HydrophobicContact CD2-CE1 4.44Å; L405-Y834 WeakPolarHBondContact O-CD1 3.46Å
406	E	78.2	Confident	77	Confident	111 Å²	111	44.8 Å²	44.8	52%	0.519	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	4.7	-179	-58.8	-177.8	-178.3	0	0	113	R329 A403 V404	R329-E406 PolarHBondContact NE-O 3.37Å; R329-E406 PolarHBondContact NH2-O 2.98Å; A403-E406 PolarHBondContact O-N 3.1Å; V404-E406 PolarHBondContact O-N 3.06Å
407	L	77.6	Confident	76.1	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.016	23%	0.231	C	C	.	.			trans	-82.9	134.1	178.6	-70.6	173.4	0	0	0	111	E325 L326 V404 W418	E325-L407 HydrophobicContact CB-CD2 3.78Å; L326-L407 HydrophobicContact CB-CD1 4.28Å; L326-L407 HydrophobicContact CD1-CD1 4.29Å; V404-L407 HydrophobicContact CG2-CD1 4.44Å; V404-L407 PolarHBondContact O-N 2.85Å; L407-W418 HydrophobicContact CD1-CH2 4.5Å; L407-W418 HydrophobicContact CD1-CZ2 3.5Å
408	H	67.8	Low	75.8	Confident	134 Å²	134	42.5 Å²	42.5	62%	0.62	23%	0.231	S	C	*	.			trans	-112	141	175.2	-58.5	-58.7	0	0	0	110.2
409	S	63.9	Low	75.6	Confident	38 Å²	38	37.6 Å²	37.6	27%	0.266	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-63.1	143.7	175.5	-42.7	0	0	0	0	110.6	S415	S409-S415 WeakPolarHBondContact OG-CA 3.14Å; S409-S415 PolarHBondContact OG-O 3.49Å
410	L	61.1	Low	75.6	Confident	26 Å²	26	33.2 Å²	33.2	14%	0.136	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-69.1	142.8	168.9	-77.1	173.6	0	0	0	110.3	Y321 Y322 I347 G412 A413	Y321-L410 HydrophobicContact CD1-CD1 3.4Å; Y321-L410 HydrophobicContact CD1-CD2 4.06Å; Y321-L410 HydrophobicContact CD1-CG 3.54Å; Y321-L410 HydrophobicContact CD2-CD1 4.04Å; Y321-L410 HydrophobicContact CD2-CD2 4.32Å; Y321-L410 HydrophobicContact CE1-CD1 3.77Å; Y321-L410 HydrophobicContact CE1-CD2 3.51Å; Y321-L410 HydrophobicContact CE1-CG 3.36Å; Y321-L410 HydrophobicContact CE2-CD1 4.36Å; Y321-L410 HydrophobicContact CE2-CD2 3.81Å; Y321-L410 HydrophobicContact CE2-CG 4.36Å; Y321-L410 HydrophobicContact CG-CD1 3.55Å; Y321-L410 HydrophobicContact CG-CD2 4.43Å; Y321-L410 HydrophobicContact CG-CG 4.13Å; Y322-L410 PolarHBondContact OH-N 2.67Å; Y322-L410 VanDerWaalsContact OH-N 3.14Å; I347-L410 HydrophobicContact CD1-CD2 4.27Å; L410-G412 PolarHBondContact O-N 3.48Å; L410-A413 HydrophobicContact CB-CB 3.87Å; L410-A413 WeakPolarHBondContact O-CB 2.8Å; L410-A413 PolarHBondContact O-N 2.86Å
411	P	57.4	Low	75.3	Confident	61 Å²	61	33.5 Å²	33.5	40%	0.396	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	127.5	166.5	-24.7	34.3	0	0	0	110.5	Y369 A413	Y369-P411 HydrophobicContact CE2-CB 4.13Å; P411-A413 VanDerWaalsContact C-N 3.3Å; P411-A413 PolarHBondContact O-N 3.36Å
412	G	53.8	Low	75.2	Confident	23 Å²	23	33.9 Å²	33.9	24%	0.237	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-1.2	-176.1	0	0	0	0	0	116.3	L410 D492	L410-G412 PolarHBondContact O-N 3.48Å; G412-D492 WeakPolarHBondContact CA-O 3.47Å; G412-D492 PolarHBondContact N-O 2.94Å
413	A	54.2	Low	74.9	Confident	9 Å²	9	31 Å²	31	7%	0.074	18%	0.177	C	C	.	.	S	Bend	trans	-97.6	145.5	168	0	0	0	0	0	109.7	V317 Y322 L410 P411 S415	V317-A413 HydrophobicContact CG1-CB 3.85Å; V317-A413 HydrophobicContact CG2-CB 4.4Å; Y322-A413 WeakPolarHBondContact OH-CB 3.3Å; L410-A413 HydrophobicContact CB-CB 3.87Å; L410-A413 WeakPolarHBondContact O-CB 2.8Å; L410-A413 PolarHBondContact O-N 2.86Å; P411-A413 VanDerWaalsContact C-N 3.3Å; P411-A413 PolarHBondContact O-N 3.36Å; A413-S415 PolarHBondContact O-N 3.31Å
414	P	56.8	Low	74.6	Confident	29 Å²	29	31.7 Å²	31.7	19%	0.188	19%	0.185	C	C	.	.			trans	-50.9	144	169.4	-20.5	30.1	0	0	0	109.8	V317 F416	V317-P414 HydrophobicContact CG2-CG 4.16Å; P414-F416 HydrophobicContact CB-CD2 4.31Å; P414-F416 PolarHBondContact O-N 3.41Å
415	S	60.9	Low	73.9	Confident	49 Å²	49	38 Å²	38	34%	0.343	22%	0.217	S	C	.	.	S	Bend	trans	-60.6	-6.3	176.2	-74.1	0	0	0	0	114.1	S409 A413 V417	S409-S415 WeakPolarHBondContact OG-CA 3.14Å; S409-S415 PolarHBondContact OG-O 3.49Å; A413-S415 PolarHBondContact O-N 3.31Å; S415-V417 PolarHBondContact O-N 3.47Å
416	F	71.5	Confident	73.4	Confident	27 Å²	27	40.4 Å²	40.4	12%	0.118	24%	0.237	C	C	.	.			trans	-98.3	83.5	-174.8	-57.6	-91.8	0	0	0	109.9	W309 P414 W418 T419 M831	W309-F416 HydrophobicContact CB-CB 4.28Å; W309-F416 HydrophobicContact CB-CD1 4.08Å; W309-F416 HydrophobicContact CB-CD2 3.13Å; W309-F416 HydrophobicContact CB-CE1 4.08Å; W309-F416 HydrophobicContact CB-CE2 3.16Å; W309-F416 HydrophobicContact CB-CG 3.58Å; W309-F416 HydrophobicContact CB-CZ 3.59Å; W309-F416 HydrophobicContact CG-CD2 4.31Å; W309-F416 AromaticContact CG-CE2 3.92Å; W309-F416 HydrophobicContact CG-CE2 3.92Å; W309-F416 AromaticContact CG-CZ 3.96Å; W309-F416 HydrophobicContact CG-CZ 3.96Å; P414-F416 HydrophobicContact CB-CD2 4.31Å; P414-F416 PolarHBondContact O-N 3.41Å; F416-W418 PolarHBondContact O-N 3.08Å; F416-T419 WeakPolarHBondContact O-CG2 3.34Å; F416-M831 HydrophobicContact CE1-CE 3.89Å; F416-M831 HydrophobicContact CE1-SD 4.44Å; F416-M831 HydrophobicContact CE2-CE 3.85Å; F416-M831 HydrophobicContact CZ-CE 3.15Å; F416-M831 HydrophobicContact CZ-SD 3.93Å
417	V	77.2	Confident	73.6	Confident	11 Å²	11	35.6 Å²	35.6	7%	0.067	22%	0.218	C	C	.	.	S	Bend	trans	-58.7	-43.2	-176.7	172.6	0	0	0	0	112.9	Y322 S415	Y322-V417 HydrophobicContact CD1-CB 4.36Å; Y322-V417 HydrophobicContact CD1-CG1 3.51Å; Y322-V417 HydrophobicContact CD1-CG2 4.1Å; Y322-V417 HydrophobicContact CD2-CG1 3.82Å; Y322-V417 HydrophobicContact CE1-CB 4.36Å; Y322-V417 HydrophobicContact CE1-CG1 3.99Å; Y322-V417 HydrophobicContact CE1-CG2 3.71Å; Y322-V417 HydrophobicContact CE2-CB 4.48Å; Y322-V417 HydrophobicContact CE2-CG1 4.24Å; Y322-V417 HydrophobicContact CE2-CG2 4.44Å; Y322-V417 HydrophobicContact CG-CB 4.46Å; Y322-V417 HydrophobicContact CG-CG1 3.43Å; Y322-V417 VanDerWaalsContact CG-CG1 3.43Å; S415-V417 PolarHBondContact O-N 3.47Å
418	W	88.1	Confident	74.2	Confident	6 Å²	6	35.5 Å²	35.5	2%	0.023	22%	0.217	C	C	.	.	S	Bend	trans	-110.3	86.2	-176.4	-52.7	114.3	0	0	0	110.1	Y198 V199 P227 F230 L231 L326 V404 L407 F416	Y198-W418 WeakPolarHBondContact CB-O 3.4Å; V199-W418 HydrophobicContact CG1-CB 3.91Å; V199-W418 HydrophobicContact CG1-CG 4.49Å; P227-W418 HydrophobicContact CB-CD2 4Å; P227-W418 HydrophobicContact CB-CE3 4.04Å; P227-W418 HydrophobicContact CB-CH2 3.83Å; P227-W418 HydrophobicContact CB-CZ2 3.76Å; P227-W418 HydrophobicContact CB-CZ3 3.97Å; P227-W418 HydrophobicContact CG-CZ2 4.31Å; F230-W418 HydrophobicContact CB-CB 4.38Å; L231-W418 HydrophobicContact CB-CE3 4.44Å; L231-W418 HydrophobicContact CB-CZ3 3.88Å; L231-W418 HydrophobicContact CD1-CH2 4.22Å; L231-W418 HydrophobicContact CD1-CZ3 4.24Å; L231-W418 HydrophobicContact CG-CH2 4.44Å; L231-W418 HydrophobicContact CG-CZ3 4Å; L326-W418 HydrophobicContact CB-CH2 4.31Å; L326-W418 HydrophobicContact CB-CZ2 4.4Å; L326-W418 HydrophobicContact CD2-CH2 3.77Å; L326-W418 HydrophobicContact CD2-CZ2 3.83Å; V404-W418 HydrophobicContact CG2-CZ2 4.31Å; L407-W418 HydrophobicContact CD1-CH2 4.5Å; L407-W418 HydrophobicContact CD1-CZ2 3.5Å; F416-W418 PolarHBondContact O-N 3.08Å
419	T	89.8	Confident	74.9	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.012	19%	0.188	C	C	.	.			trans	-132.8	158.7	-179.6	-171.6	0	0	0	0	108.8	W309 A310 F311 S312 F416	W309-T419 PolarHBondContact O-OG1 2.84Å; A310-T419 VanDerWaalsContact C-OG1 3.27Å; A310-T419 PolarHBondContact O-OG1 2.64Å; F311-T419 PolarHBondContact N-OG1 2.85Å; S312-T419 WeakPolarHBondContact OG-CG2 3.42Å; F416-T419 WeakPolarHBondContact O-CG2 3.34Å
420	P	93.5	Very high	75.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.184	C	C	.	.			trans	-44.1	144.4	171.7	-33.8	36.4	0	0	0	113.8	Y198 F230 N241 L244 L282 A310 F311 S312 F429	Y198-P420 HydrophobicContact CD1-CG 4.28Å; Y198-P420 HydrophobicContact CD2-CG 4.45Å; Y198-P420 HydrophobicContact CE1-CG 3.77Å; Y198-P420 VanDerWaalsContact CE2-CD 3.41Å; Y198-P420 HydrophobicContact CE2-CG 3.98Å; F230-P420 HydrophobicContact CD1-CG 4.08Å; F230-P420 HydrophobicContact CE1-CB 4.5Å; F230-P420 HydrophobicContact CE1-CG 3.7Å; N241-P420 WeakPolarHBondContact OD1-CA 3.43Å; L244-P420 HydrophobicContact CD1-CB 3.98Å; L244-P420 HydrophobicContact CD1-CG 4.11Å; L244-P420 HydrophobicContact CD2-CG 4.31Å; L244-P420 HydrophobicContact CG-CG 4.34Å; L282-P420 HydrophobicContact CD1-CB 3.8Å; L282-P420 HydrophobicContact CD1-CG 3.67Å; A310-P420 WeakPolarHBondContact O-CD 3.5Å; F311-P420 CarbonylContact C-O 3.48Å; F311-P420 WeakPolarHBondContact CA-O 3.34Å; F311-P420 HydrophobicContact CB-CB 4.38Å; S312-P420 PolarHBondContact N-O 3.28Å; P420-F429 HydrophobicContact CB-CE1 4.26Å; P420-F429 HydrophobicContact CB-CZ 4.11Å
421	V	88.8	Confident	76.9	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.03	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-117.1	142.2	-178.5	-176.3	0	0	0	0	109.5	N241 S312 P314 T319 D423 F429	N241-V421 PolarHBondContact ND2-O 3.42Å; N241-V421 PolarHBondContact OD1-N 2.81Å; S312-V421 WeakPolarHBondContact O-CA 3.45Å; P314-V421 HydrophobicContact CB-CG1 4.26Å; P314-V421 HydrophobicContact CG-CG1 4.39Å; T319-V421 HydrophobicContact CG2-CB 4.39Å; T319-V421 HydrophobicContact CG2-CG1 3.79Å; T319-V421 HydrophobicContact CG2-CG2 3.67Å; V421-D423 PolarHBondContact O-N 3.14Å; V421-F429 VanDerWaalsContact O-CZ 3.28Å; V421-F429 WeakPolarHBondContact O-CZ 3.45Å
422	V	88.3	Confident	78.5	Confident	24 Å²	24	32.6 Å²	32.6	15%	0.145	19%	0.193	C	C	.	.			trans	-64.5	108.8	168.1	-174.1	0	0	0	0	108.8	F311 S312 P314 F429 T432	F311-V422 HydrophobicContact CD2-CG2 3.88Å; F311-V422 HydrophobicContact CE2-CG2 4.21Å; S312-V422 PolarHBondContact O-N 3.47Å; S312-V422 VanDerWaalsContact O-N 3.1Å; P314-V422 HydrophobicContact CG-CB 4.43Å; V422-F429 HydrophobicContact CB-CE2 4.14Å; V422-F429 HydrophobicContact CG2-CE2 3.89Å; V422-T432 HydrophobicContact CG2-CG2 4.21Å
423	D	85.8	Confident	80.4	Confident	36 Å²	36	31.5 Å²	31.5	19%	0.193	18%	0.182	C	C	.	.			trans	-107.6	4.6	-171.4	58.8	-0.8	0	0	0	113.9	N241 V421 G427 F428 F429	N241-D423 PolarHBondContact ND2-OD2 2.88Å; V421-D423 PolarHBondContact O-N 3.14Å; D423-G427 VanDerWaalsContact CG-CA 3.45Å; D423-G427 WeakPolarHBondContact OD1-CA 3.33Å; D423-G427 WeakPolarHBondContact OD2-CA 3.21Å; D423-F428 PolarHBondContact OD1-N 3.5Å; D423-F428 PolarHBondContact OD2-N 3.17Å; D423-F429 PolarHBondContact OD1-N 2.79Å; D423-F429 VanDerWaalsContact OD1-N 3.1Å
424	G	82.5	Confident	82.1	Confident	25 Å²	25	33.4 Å²	33.4	26%	0.258	20%	0.197	S	C	.	.			trans	82.4	-177.8	168.6	0	0	0	0	0	114.1	S426 G427 F429	G424-S426 PolarHBondContact O-N 2.88Å; G424-G427 PolarHBondContact O-N 3.49Å; G424-F429 PolarHBondContact N-O 2.91Å
425	I	74.4	Confident	83.7	Confident	142 Å²	142	36.4 Å²	36.4	73%	0.728	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.6	-167.7	58.7	167.6	0	0	0	115.5	P430	I425-P430 HydrophobicContact CB-CB 4.47Å; I425-P430 HydrophobicContact CG2-CB 3.92Å
426	S	70.8	Confident	85.3	Confident	88 Å²	88	34.2 Å²	34.2	62%	0.615	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-3.3	177.6	-54.2	0	0	0	0	112.9	G424	G424-S426 PolarHBondContact O-N 2.88Å
427	G	82.2	Confident	86.3	Confident	10 Å²	10	33 Å²	33	10%	0.103	19%	0.187	C	C	.	.	S	Bend	trans	-93.5	-156.6	179.5	0	0	0	0	0	113.2	D423 G424	D423-G427 VanDerWaalsContact CG-CA 3.45Å; D423-G427 WeakPolarHBondContact OD1-CA 3.33Å; D423-G427 WeakPolarHBondContact OD2-CA 3.21Å; G424-G427 PolarHBondContact O-N 3.49Å
428	F	88.6	Confident	86.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-74.5	-40.8	-179.4	-161.6	-79	0	0	0	112.4	L244 W245 L248 H283 S286 L288 D423	L244-F428 HydrophobicContact CB-CD1 4.35Å; L244-F428 HydrophobicContact CB-CD2 3.75Å; L244-F428 HydrophobicContact CB-CE1 4.17Å; L244-F428 HydrophobicContact CB-CE2 3.58Å; L244-F428 HydrophobicContact CB-CG 4.12Å; L244-F428 HydrophobicContact CB-CZ 3.78Å; L244-F428 HydrophobicContact CD1-CD1 3.92Å; L244-F428 HydrophobicContact CD1-CE1 4.11Å; L244-F428 HydrophobicContact CD1-CG 4.14Å; L244-F428 VanDerWaalsContact O-CE2 3.31Å; L244-F428 WeakPolarHBondContact O-CE2 3.49Å; W245-F428 HydrophobicContact CD2-CD2 4.16Å; W245-F428 AromaticContact CE2-CD2 3.98Å; W245-F428 HydrophobicContact CG-CD2 4.27Å; W245-F428 AromaticContact NE1-CD2 3.9Å; L248-F428 HydrophobicContact CB-CE2 4Å; L248-F428 HydrophobicContact CD2-CE2 4.19Å; H283-F428 AromaticContact CE1-CZ 3.54Å; H283-F428 AromaticContact ND1-CZ 3.65Å; S286-F428 VanDerWaalsContact CB-O 3.3Å; S286-F428 WeakPolarHBondContact CB-O 3.16Å; S286-F428 PolarHBondContact OG-O 3.31Å; L288-F428 HydrophobicContact CD1-CD2 4.39Å; D423-F428 PolarHBondContact OD1-N 3.5Å; D423-F428 PolarHBondContact OD2-N 3.17Å
429	F	82.3	Confident	87.1	Confident	1 Å²	1	39 Å²	39	0%	0.004	22%	0.223	C	C	.	.			trans	-140.8	133.9	172.8	49.4	-99.4	0	0	0	112.2	L244 L282 I285 P420 V421 V422 D423 G424 R431	L244-F429 HydrophobicContact CD1-CD1 4.39Å; L244-F429 HydrophobicContact CD1-CE1 3.74Å; L282-F429 HydrophobicContact CD1-CE1 4.13Å; L282-F429 HydrophobicContact CD2-CD1 3.97Å; L282-F429 HydrophobicContact CD2-CE1 3.73Å; L282-F429 HydrophobicContact CD2-CZ 4.07Å; L282-F429 HydrophobicContact CG-CE1 4.37Å; I285-F429 HydrophobicContact CD1-CB 4.36Å; P420-F429 HydrophobicContact CB-CE1 4.26Å; P420-F429 HydrophobicContact CB-CZ 4.11Å; V421-F429 VanDerWaalsContact O-CZ 3.28Å; V421-F429 WeakPolarHBondContact O-CZ 3.45Å; V422-F429 HydrophobicContact CB-CE2 4.14Å; V422-F429 HydrophobicContact CG2-CE2 3.89Å; D423-F429 PolarHBondContact OD1-N 2.79Å; D423-F429 VanDerWaalsContact OD1-N 3.1Å; G424-F429 PolarHBondContact N-O 2.91Å; F429-R431 WeakPolarHBondContact CD2-O 3.26Å; F429-R431 PolarHBondContact O-N 2.85Å
430	P	81.7	Confident	87.1	Confident	28 Å²	28	39.6 Å²	39.6	18%	0.182	23%	0.23	C	C	.	.	S	Bend	trans	-73.9	-25.8	-165.2	29.5	-37.6	0	0	0	114.6	I425 E436	I425-P430 HydrophobicContact CB-CB 4.47Å; I425-P430 HydrophobicContact CG2-CB 3.92Å; P430-E436 HydrophobicContact CG-CG 4.46Å; P430-E436 WeakPolarHBondContact CG-OE1 3.49Å
431	R	86.9	Confident	87	Confident	130 Å²	130	42.6 Å²	42.6	49%	0.491	25%	0.245	S	C	.	.	S	Bend	trans	-148.4	178.5	-170.5	-55.5	-179.2	-176.9	-93.5	0.5	109.6	F429 K435 E436	F429-R431 WeakPolarHBondContact CD2-O 3.26Å; F429-R431 PolarHBondContact O-N 2.85Å; R431-K435 HydrophobicContact CB-CB 4.24Å; R431-K435 HydrophobicContact CB-CG 4.39Å; R431-E436 HydrophobicContact CB-CG 4.41Å; R431-E436 WeakPolarHBondContact CB-OE1 3.05Å; R431-E436 WeakPolarHBondContact CD-OE1 3.4Å; R431-E436 WeakPolarHBondContact CG-OE1 3.36Å
432	T	90.8	Very high	87.3	Confident	39 Å²	39	42.7 Å²	42.7	24%	0.239	25%	0.246	C	C	.	.			trans	-60.6	146	173.2	64.3	0	0	0	0	111.1	F311 V422 A434 K435 E436	F311-T432 HydrophobicContact CE2-CG2 4.08Å; V422-T432 HydrophobicContact CG2-CG2 4.21Å; T432-A434 VanDerWaalsContact C-N 3.27Å; T432-A434 PolarHBondContact O-N 3.26Å; T432-K435 PolarHBondContact O-N 3.37Å; T432-K435 WeakPolarHBondContact OG1-CB 3.12Å; T432-K435 PolarHBondContact OG1-N 2.84Å; T432-E436 PolarHBondContact O-N 3.29Å; T432-E436 VanDerWaalsContact O-N 3.08Å
433	P	93	Very high	87.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-52.7	-41.1	176.5	-32.2	39	0	0	0	114.3	L282 I285 D305 L306 F311 K435 E436 R437	L282-P433 HydrophobicContact CD2-CG 3.84Å; I285-P433 HydrophobicContact CD1-CB 3.79Å; I285-P433 HydrophobicContact CD1-CG 3.79Å; D305-P433 HydrophobicContact CB-CB 4.1Å; D305-P433 HydrophobicContact CB-CG 4.26Å; D305-P433 WeakPolarHBondContact O-CB 3.4Å; D305-P433 WeakPolarHBondContact O-CG 3.44Å; D305-P433 WeakPolarHBondContact OD2-CB 3.37Å; L306-P433 HydrophobicContact CD2-CB 4.02Å; F311-P433 HydrophobicContact CD1-CG 3.81Å; F311-P433 HydrophobicContact CE1-CG 3.92Å; F311-P433 HydrophobicContact CG-CG 4.23Å; F311-P433 HydrophobicContact CZ-CG 4.42Å; P433-K435 VanDerWaalsContact C-N 3.3Å; P433-K435 PolarHBondContact O-N 3.13Å; P433-E436 PolarHBondContact O-N 2.97Å; P433-R437 WeakPolarHBondContact O-CB 3.41Å; P433-R437 WeakPolarHBondContact O-CG 3.32Å; P433-R437 PolarHBondContact O-N 3.24Å
434	A	90.9	Very high	88	Confident	49 Å²	49	44.2 Å²	44.2	41%	0.405	25%	0.251	S	S	.	.	H	α-helix	trans	-57.2	-43	174.8	0	0	0	0	0	112	L306 T432 R437 S438	L306-A434 VanDerWaalsContact CD2-CA 3.46Å; L306-A434 HydrophobicContact CD2-CB 3.79Å; L306-A434 VanDerWaalsContact CD2-N 3.32Å; T432-A434 VanDerWaalsContact C-N 3.27Å; T432-A434 PolarHBondContact O-N 3.26Å; A434-R437 PolarHBondContact O-N 3.4Å; A434-S438 WeakPolarHBondContact O-CB 3.22Å; A434-S438 PolarHBondContact O-N 2.91Å; A434-S438 PolarHBondContact O-OG 2.99Å
435	K	90.9	Very high	88.6	Confident	92 Å²	92	44 Å²	44	40%	0.4	24%	0.244	S	C	.	.	H	α-helix	trans	-68.5	-46	179.9	-172.5	60	-178.9	172.7	0	111.5	R431 T432 P433 R437 S438 L439	R431-K435 HydrophobicContact CB-CB 4.24Å; R431-K435 HydrophobicContact CB-CG 4.39Å; T432-K435 PolarHBondContact O-N 3.37Å; T432-K435 WeakPolarHBondContact OG1-CB 3.12Å; T432-K435 PolarHBondContact OG1-N 2.84Å; P433-K435 VanDerWaalsContact C-N 3.3Å; P433-K435 PolarHBondContact O-N 3.13Å; K435-R437 VanDerWaalsContact C-N 3.29Å; K435-R437 PolarHBondContact O-N 2.88Å; K435-S438 PolarHBondContact O-N 2.99Å; K435-S438 PolarHBondContact O-OG 3.22Å; K435-L439 HydrophobicContact CD-CD1 4.43Å; K435-L439 HydrophobicContact CD-CG 4.47Å; K435-L439 HydrophobicContact CG-CD1 4.16Å; K435-L439 WeakPolarHBondContact O-CG 3.3Å; K435-L439 PolarHBondContact O-N 3.43Å; K435-L439 VanDerWaalsContact O-N 3.08Å
436	E	93	Very high	89.8	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.019	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-42.2	177.1	-71.8	-54.4	125.1	0	0	111.8	I285 P430 R431 T432 P433 L439 G440 N441	I285-E436 HydrophobicContact CB-CB 4.03Å; I285-E436 HydrophobicContact CB-CG 4.43Å; I285-E436 HydrophobicContact CD1-CB 4.49Å; I285-E436 HydrophobicContact CD1-CG 4.5Å; I285-E436 HydrophobicContact CG2-CB 4.2Å; P430-E436 HydrophobicContact CG-CG 4.46Å; P430-E436 WeakPolarHBondContact CG-OE1 3.49Å; R431-E436 HydrophobicContact CB-CG 4.41Å; R431-E436 WeakPolarHBondContact CB-OE1 3.05Å; R431-E436 WeakPolarHBondContact CD-OE1 3.4Å; R431-E436 WeakPolarHBondContact CG-OE1 3.36Å; T432-E436 PolarHBondContact O-N 3.29Å; T432-E436 VanDerWaalsContact O-N 3.08Å; P433-E436 PolarHBondContact O-N 2.97Å; E436-L439 PolarHBondContact O-N 2.94Å; E436-G440 PolarHBondContact O-N 2.94Å; E436-N441 HydrophobicContact CB-CB 4.42Å; E436-N441 WeakPolarHBondContact O-CB 3.5Å; E436-N441 PolarHBondContact O-N 3.48Å; E436-N441 WeakPolarHBondContact OE2-CB 3.39Å; E436-N441 PolarHBondContact OE2-ND2 3.42Å; E436-N441 VanDerWaalsContact OE2-ND2 3.1Å
437	R	92.3	Very high	91.1	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-42.7	177.6	-70.2	177.1	178.6	-83.3	9.2	112.9	I285 D305 P433 A434 K435 L439 G440 F442 I541 Y544	I285-R437 HydrophobicContact CG2-CG 4.13Å; D305-R437 VanDerWaalsContact CG-NH2 3.3Å; D305-R437 IonicContact OD1-CZ 2.67Å; D305-R437 IonicContact OD1-NE 3.69Å; D305-R437 IonicContact OD1-NH2 3.85Å; D305-R437 PolarHBondContact OD1-NH2 3.16Å; D305-R437 IonicContact OD2-CZ 2.89Å; D305-R437 IonicContact OD2-NE 2.56Å; D305-R437 PolarHBondContact OD2-NE 2.8Å; D305-R437 IonicContact OD2-NH2 3.07Å; D305-R437 PolarHBondContact OD2-NH2 3.13Å; D305-R437 VanDerWaalsContact OD2-NH2 3.08Å; P433-R437 WeakPolarHBondContact O-CB 3.41Å; P433-R437 WeakPolarHBondContact O-CG 3.32Å; P433-R437 PolarHBondContact O-N 3.24Å; A434-R437 PolarHBondContact O-N 3.4Å; K435-R437 VanDerWaalsContact C-N 3.29Å; K435-R437 PolarHBondContact O-N 2.88Å; R437-L439 PolarHBondContact O-N 3.48Å; R437-G440 PolarHBondContact O-N 3.49Å; R437-F442 HydrophobicContact CB-CD1 4.5Å; R437-F442 HydrophobicContact CG-CD1 4.24Å; R437-I541 VanDerWaalsContact CD-CD1 3.47Å; R437-Y544 HydrophobicContact CB-CD2 4.23Å; R437-Y544 HydrophobicContact CB-CE2 4.47Å; R437-Y544 HydrophobicContact CB-CG 4.34Å
438	S	90.4	Very high	91.9	Very high	61 Å²	61	34 Å²	34	43%	0.427	19%	0.185	S	C	.	.	H	α-helix	trans	-61.3	-30.4	175.6	75.1	0	0	0	0	113.5	A434 K435 G440	A434-S438 WeakPolarHBondContact O-CB 3.22Å; A434-S438 PolarHBondContact O-N 2.91Å; A434-S438 PolarHBondContact O-OG 2.99Å; K435-S438 PolarHBondContact O-N 2.99Å; K435-S438 PolarHBondContact O-OG 3.22Å; S438-G440 VanDerWaalsContact C-N 3.27Å
439	L	91.7	Very high	92.4	Very high	83 Å²	83	34 Å²	34	44%	0.435	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.8	175.4	-67.5	173.5	0	0	0	112.7	K435 E436 R437 N441	K435-L439 HydrophobicContact CD-CD1 4.43Å; K435-L439 HydrophobicContact CD-CG 4.47Å; K435-L439 HydrophobicContact CG-CD1 4.16Å; K435-L439 WeakPolarHBondContact O-CG 3.3Å; K435-L439 PolarHBondContact O-N 3.43Å; K435-L439 VanDerWaalsContact O-N 3.08Å; E436-L439 PolarHBondContact O-N 2.94Å; R437-L439 PolarHBondContact O-N 3.48Å; L439-N441 VanDerWaalsContact C-N 3.26Å; L439-N441 PolarHBondContact O-N 3.26Å
440	G	90.8	Very high	93.1	Very high	14 Å²	14	34 Å²	34	14%	0.144	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	11.2	-173.9	0	0	0	0	0	114.2	E436 R437 S438 F442 K444	E436-G440 PolarHBondContact O-N 2.94Å; R437-G440 PolarHBondContact O-N 3.49Å; S438-G440 VanDerWaalsContact C-N 3.27Å; G440-F442 VanDerWaalsContact C-N 3.31Å; G440-F442 PolarHBondContact O-N 2.93Å; G440-K444 WeakPolarHBondContact O-CE 3.3Å; G440-K444 PolarHBondContact O-NZ 3.49Å
441	N	92	Very high	93.9	Very high	62 Å²	62	32.7 Å²	32.7	33%	0.332	18%	0.177	S	C	.	.			trans	-83.3	67.4	-176.9	-69.2	-15.6	0	0	0	112.3	E436 L439	E436-N441 HydrophobicContact CB-CB 4.42Å; E436-N441 WeakPolarHBondContact O-CB 3.5Å; E436-N441 PolarHBondContact O-N 3.48Å; E436-N441 WeakPolarHBondContact OE2-CB 3.39Å; E436-N441 PolarHBondContact OE2-ND2 3.42Å; E436-N441 VanDerWaalsContact OE2-ND2 3.1Å; L439-N441 VanDerWaalsContact C-N 3.26Å; L439-N441 PolarHBondContact O-N 3.26Å
442	F	93.8	Very high	94.5	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.035	15%	0.153	C	C	.	.	S	Bend	trans	-147.1	158.7	174.4	60.5	-90.8	0	0	0	111	L284 I285 R437 G440 K444 H545 Y548	L284-F442 CarbonylContact O-C 3.58Å; L284-F442 VanDerWaalsContact O-CA 3.25Å; L284-F442 WeakPolarHBondContact O-CA 3.22Å; I285-F442 HydrophobicContact CG2-CB 4.04Å; R437-F442 HydrophobicContact CB-CD1 4.5Å; R437-F442 HydrophobicContact CG-CD1 4.24Å; G440-F442 VanDerWaalsContact C-N 3.31Å; G440-F442 PolarHBondContact O-N 2.93Å; F442-K444 VanDerWaalsContact CD1-NZ 3.3Å; F442-K444 HydrophobicContact CD2-CD 3.77Å; F442-K444 HydrophobicContact CE2-CD 3.58Å; F442-K444 VanDerWaalsContact CE2-NZ 3.33Å; F442-K444 HydrophobicContact CG-CD 4.41Å; F442-K444 HydrophobicContact CZ-CD 4.13Å; F442-K444 VanDerWaalsContact O-CD 3.23Å; F442-K444 WeakPolarHBondContact O-CD 3.36Å; F442-K444 VanDerWaalsContact O-CE 3.24Å; F442-K444 WeakPolarHBondContact O-CE 3.31Å; F442-K444 PolarHBondContact O-N 3.44Å; F442-H545 AromaticContact CD2-CE1 3.81Å; F442-H545 AromaticContact CD2-ND1 3.56Å; F442-H545 HydrophobicContact CE2-CB 4.45Å; F442-H545 AromaticContact CE2-CE1 3.85Å; F442-H545 AromaticContact CE2-CG 3.95Å; F442-H545 AromaticContact CE2-ND1 3.32Å; F442-H545 VanDerWaalsContact CE2-ND1 3.32Å; F442-H545 WeakPolarHBondContact CE2-ND1 3.34Å; F442-Y548 HydrophobicContact CE1-CD2 4.12Å; F442-Y548 AromaticContact CE1-CE2 3.94Å; F442-Y548 HydrophobicContact CE1-CE2 3.94Å; F442-Y548 HydrophobicContact CE2-CD2 4.16Å; F442-Y548 AromaticContact CZ-CD2 3.41Å; F442-Y548 HydrophobicContact CZ-CD2 3.41Å; F442-Y548 VanDerWaalsContact CZ-CD2 3.41Å; F442-Y548 AromaticContact CZ-CE2 3.7Å; F442-Y548 HydrophobicContact CZ-CE2 3.7Å; F442-Y548 HydrophobicContact CZ-CG 4.37Å
443	A	94.9	Very high	94.8	Very high	14 Å²	14	28 Å²	28	12%	0.116	16%	0.158	C	C	.	.			trans	-64	122.1	177.9	0	0	0	0	0	111.3	L284 R290 F295 V445 H545	L284-A443 HydrophobicContact CD2-CB 3.8Å; L284-A443 PolarHBondContact O-N 3.09Å; R290-A443 HydrophobicContact CB-CB 3.98Å; F295-A443 HydrophobicContact CE2-CB 3.98Å; F295-A443 HydrophobicContact CZ-CB 3.79Å; A443-V445 HydrophobicContact CB-CG1 4.36Å; A443-V445 HydrophobicContact CB-CG2 4.4Å; A443-V445 PolarHBondContact O-N 3.26Å; A443-H545 PolarHBondContact O-CE1 2.94Å
444	K	94.4	Very high	95	Very high	77 Å²	77	29 Å²	29	34%	0.335	16%	0.163	S	C	.	.			trans	-87.5	49.4	-175.9	-48.3	-52.3	-174.2	171	0	112.4	G440 F442 Y548	G440-K444 WeakPolarHBondContact O-CE 3.3Å; G440-K444 PolarHBondContact O-NZ 3.49Å; F442-K444 VanDerWaalsContact CD1-NZ 3.3Å; F442-K444 HydrophobicContact CD2-CD 3.77Å; F442-K444 HydrophobicContact CE2-CD 3.58Å; F442-K444 VanDerWaalsContact CE2-NZ 3.33Å; F442-K444 HydrophobicContact CG-CD 4.41Å; F442-K444 HydrophobicContact CZ-CD 4.13Å; F442-K444 VanDerWaalsContact O-CD 3.23Å; F442-K444 WeakPolarHBondContact O-CD 3.36Å; F442-K444 VanDerWaalsContact O-CE 3.24Å; F442-K444 WeakPolarHBondContact O-CE 3.31Å; F442-K444 PolarHBondContact O-N 3.44Å; K444-Y548 HydrophobicContact CD-CD1 4.33Å; K444-Y548 HydrophobicContact CD-CD2 4.3Å; K444-Y548 HydrophobicContact CD-CG 3.84Å; K444-Y548 VanDerWaalsContact NZ-CD2 3.32Å
445	V	95.8	Very high	95.3	Very high	20 Å²	20	26.9 Å²	26.9	12%	0.121	15%	0.145	C	C	.	.			trans	-92.1	162.7	-175.9	-67.6	0	0	0	0	111.9	L284 F295 N296 A298 A443 H545 S549	L284-V445 HydrophobicContact CD2-CG2 3.8Å; F295-V445 HydrophobicContact CD2-CG2 4.44Å; F295-V445 HydrophobicContact CE2-CG1 4.31Å; F295-V445 HydrophobicContact CE2-CG2 3.95Å; N296-V445 VanDerWaalsContact O-CB 3.27Å; N296-V445 WeakPolarHBondContact O-CB 3.36Å; N296-V445 WeakPolarHBondContact O-CG1 3.32Å; A298-V445 HydrophobicContact CB-CG2 4.37Å; A443-V445 HydrophobicContact CB-CG1 4.36Å; A443-V445 HydrophobicContact CB-CG2 4.4Å; A443-V445 PolarHBondContact O-N 3.26Å; V445-H545 PolarHBondContact O-CD2 3.48Å; V445-H545 PolarHBondContact O-NE2 3.49Å; V445-S549 PolarHBondContact O-OG 3.16Å
446	P	98	Very high	95.5	Very high	32 Å²	32	22.6 Å²	22.6	21%	0.208	13%	0.127	C	C	.	.			trans	-51	139.5	166	-29.2	37.2	0	0	0	112.9	N296 Q297 A298 S551 F630	N296-P446 WeakPolarHBondContact O-CD 3.24Å; Q297-P446 HydrophobicContact CG-CB 4.07Å; Q297-P446 HydrophobicContact CG-CG 4.17Å; A298-P446 PolarHBondContact N-O 3.32Å; P446-S551 VanDerWaalsContact CA-O 3.26Å; P446-S551 WeakPolarHBondContact CA-O 3.45Å; P446-F630 HydrophobicContact CB-CE2 4.21Å; P446-F630 HydrophobicContact CB-CZ 4.02Å
447	L	98.7	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.3	-178.1	177.7	66.1	0	0	0	111.3	A298 M300 A449 I541 H545 S551 V552 Y553	A298-L447 HydrophobicContact CB-CD1 4.01Å; A298-L447 WeakPolarHBondContact O-CA 3.5Å; M300-L447 HydrophobicContact CG-CD1 4.16Å; M300-L447 HydrophobicContact SD-CD1 4.08Å; L447-A449 HydrophobicContact CD2-CB 4.5Å; L447-A449 HydrophobicContact CG-CB 4.33Å; L447-I541 HydrophobicContact CD2-CG2 4.02Å; L447-H545 HydrophobicContact CD2-CB 3.71Å; L447-S551 PolarHBondContact N-O 2.92Å; L447-V552 HydrophobicContact CB-CG1 4.38Å; L447-V552 HydrophobicContact CB-CG2 4.35Å; L447-V552 HydrophobicContact CD2-CG1 4.34Å; L447-V552 CarbonylContact O-C 3.55Å; L447-V552 VanDerWaalsContact O-CA 3.24Å; L447-V552 WeakPolarHBondContact O-CA 3.41Å; L447-Y553 PolarHBondContact O-N 3.29Å
448	L	98.8	Very high	95.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.2	162.5	172.4	65.6	0	0	0	107.6	A298 I299 M300 Y555 W627 F630 P636 W646	A298-L448 PolarHBondContact O-N 3.22Å; I299-L448 CarbonylContact C-O 3.56Å; I299-L448 WeakPolarHBondContact CA-O 3.25Å; I299-L448 HydrophobicContact CD1-CD2 4.43Å; I299-L448 HydrophobicContact CG1-CB 4.2Å; I299-L448 HydrophobicContact CG1-CD2 4.45Å; I299-L448 HydrophobicContact CG2-CB 4.4Å; I299-L448 HydrophobicContact CG2-CD2 4.19Å; I299-L448 HydrophobicContact CG2-CG 4.32Å; M300-L448 PolarHBondContact N-O 2.94Å; L448-Y555 HydrophobicContact CD1-CD1 4.28Å; L448-W627 HydrophobicContact CD2-CD2 3.98Å; L448-W627 HydrophobicContact CD2-CE3 4.4Å; L448-W627 HydrophobicContact CD2-CG 4.34Å; L448-W627 HydrophobicContact CD2-CZ2 4.22Å; L448-F630 HydrophobicContact CB-CD1 3.89Å; L448-F630 HydrophobicContact CB-CD2 3.98Å; L448-F630 HydrophobicContact CB-CE1 3.75Å; L448-F630 HydrophobicContact CB-CE2 3.85Å; L448-F630 HydrophobicContact CB-CG 4Å; L448-F630 HydrophobicContact CB-CZ 3.73Å; L448-F630 HydrophobicContact CD2-CB 4.26Å; L448-F630 HydrophobicContact CD2-CD1 4.23Å; L448-F630 HydrophobicContact CD2-CG 4.13Å; L448-F630 VanDerWaalsContact N-CZ 3.34Å; L448-P636 HydrophobicContact CD1-CG 4.43Å; L448-W646 HydrophobicContact CD1-CH2 3.48Å; L448-W646 VanDerWaalsContact CD1-CH2 3.48Å; L448-W646 HydrophobicContact CD1-CZ2 3.9Å; L448-W646 HydrophobicContact CD1-CZ3 4.15Å
449	A	98.7	Very high	95.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.6	178.3	0	0	0	0	0	111	M300 L447 L538 V542 Y553 F554 Y555	M300-A449 HydrophobicContact CB-CB 4.34Å; M300-A449 WeakPolarHBondContact O-CA 3.16Å; L447-A449 HydrophobicContact CD2-CB 4.5Å; L447-A449 HydrophobicContact CG-CB 4.33Å; A449-L538 HydrophobicContact CB-CD1 4.1Å; A449-L538 HydrophobicContact CB-CD2 4.39Å; A449-L538 HydrophobicContact CB-CG 4.3Å; A449-V542 HydrophobicContact CB-CG2 3.65Å; A449-Y553 PolarHBondContact N-O 2.96Å; A449-F554 HydrophobicContact CB-CD2 4.34Å; A449-F554 CarbonylContact O-C 3.49Å; A449-F554 WeakPolarHBondContact O-CA 3.46Å; A449-F554 WeakPolarHBondContact O-CD2 3.29Å; A449-Y555 VanDerWaalsContact O-CD1 3.24Å; A449-Y555 WeakPolarHBondContact O-CD1 3.47Å; A449-Y555 PolarHBondContact O-N 3.5Å
450	G	98.6	Very high	95.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	173.6	173.1	0	0	0	0	0	113.8	M300 S302 L538 Y555	M300-G450 PolarHBondContact O-N 3.4Å; M300-G450 VanDerWaalsContact O-N 3.12Å; S302-G450 PolarHBondContact N-O 2.79Å; G450-L538 WeakPolarHBondContact O-CD2 3.4Å; G450-Y555 CarbonylContact C-O 3.53Å; G450-Y555 VanDerWaalsContact CA-CE1 3.46Å; G450-Y555 WeakPolarHBondContact CA-O 3.49Å
451	V	98.7	Very high	95.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	164.5	-175.7	-63.1	0	0	0	0	110	E455 I534 K535 L538 F554 Y555 E556 F557 Y669	V451-E455 WeakPolarHBondContact CA-OE1 3.45Å; V451-E455 HydrophobicContact CB-CG 4.27Å; V451-E455 WeakPolarHBondContact CB-OE1 3.41Å; V451-I534 HydrophobicContact CG1-CG2 4.05Å; V451-K535 HydrophobicContact CB-CG 4.26Å; V451-K535 HydrophobicContact CG1-CB 4.48Å; V451-K535 HydrophobicContact CG1-CG 4.12Å; V451-K535 HydrophobicContact CG2-CG 4.28Å; V451-L538 HydrophobicContact CG1-CD2 3.78Å; V451-F554 HydrophobicContact CG1-CE2 4.44Å; V451-F554 HydrophobicContact CG1-CZ 4.23Å; V451-F554 HydrophobicContact CG2-CZ 4.05Å; V451-Y555 PolarHBondContact N-O 3.19Å; V451-E556 HydrophobicContact CG2-CB 4.32Å; V451-E556 HydrophobicContact CG2-CG 4.32Å; V451-E556 CarbonylContact O-C 3.59Å; V451-E556 VanDerWaalsContact O-CA 3.24Å; V451-E556 WeakPolarHBondContact O-CA 3.31Å; V451-F557 PolarHBondContact O-N 3.04Å; V451-Y669 HydrophobicContact CG2-CE1 4.35Å
452	V	98.2	Very high	95.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	164.4	162.7	-58.8	0	0	0	0	110.4	E455 K535 F557 I573 I577 E578	V452-E455 HydrophobicContact CG2-CB 4.42Å; V452-E455 HydrophobicContact CG2-CG 3.82Å; V452-E455 WeakPolarHBondContact CG2-OE1 3.07Å; V452-E455 WeakPolarHBondContact CG2-OE2 3.24Å; V452-E455 PolarHBondContact N-OE1 2.98Å; V452-E455 WeakPolarHBondContact O-CG 3.38Å; V452-K535 WeakPolarHBondContact O-CE 3.24Å; V452-F557 CarbonylContact C-O 3.36Å; V452-F557 WeakPolarHBondContact CA-O 3.39Å; V452-F557 HydrophobicContact CG1-CB 4.19Å; V452-F557 HydrophobicContact CG1-CD1 4.37Å; V452-I573 HydrophobicContact CB-CG2 4.45Å; V452-I577 HydrophobicContact CG1-CG2 4.13Å; V452-E578 WeakPolarHBondContact CG1-OE2 3.47Å
453	Q	97.8	Very high	94.8	Very high	72 Å²	72	16.9 Å²	16.9	34%	0.336	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-43.5	-177.2	172.2	170.7	77.4	0	0	112.9	K535 F557 S558 I573	Q453-K535 WeakPolarHBondContact O-CE 3.41Å; Q453-K535 PolarHBondContact O-NZ 3.07Å; Q453-F557 PolarHBondContact N-O 3.41Å; Q453-S558 WeakPolarHBondContact CB-OG 3.35Å; Q453-I573 HydrophobicContact CB-CB 4.07Å; Q453-I573 HydrophobicContact CB-CG1 4.36Å; Q453-I573 HydrophobicContact CB-CG2 4.44Å
454	D	97.4	Very high	94.5	Very high	19 Å²	19	16.3 Å²	16.3	10%	0.102	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-115.5	49.7	-174.2	-56.6	-55	0	0	0	112	G456 S457 V526 G572 I573	D454-G456 PolarHBondContact O-N 3.23Å; D454-S457 PolarHBondContact O-N 2.86Å; D454-S457 VanDerWaalsContact O-N 3.1Å; D454-S457 PolarHBondContact O-OG 2.84Å; D454-S457 VanDerWaalsContact O-OG 3.12Å; D454-V526 HydrophobicContact CB-CG1 3.97Å; D454-G572 WeakPolarHBondContact OD2-CA 3.47Å; D454-I573 CarbonylContact C-O 3.55Å; D454-I573 WeakPolarHBondContact CA-O 3.37Å; D454-I573 WeakPolarHBondContact CB-O 3.25Å; D454-I573 PolarHBondContact N-O 3.16Å; D454-I573 PolarHBondContact OD2-N 3.05Å
455	E	97	Very high	94.1	Very high	6 Å²	6	17 Å²	17	3%	0.028	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.3	-42.5	-179.6	-70.3	-70.2	-177.9	0	0	114	S302 V451 V452 S530 I534 K535 H575	S302-E455 WeakPolarHBondContact CB-OE1 3.45Å; S302-E455 WeakPolarHBondContact CB-OE2 3.43Å; S302-E455 PolarHBondContact OG-OE1 2.67Å; S302-E455 PolarHBondContact OG-OE2 3.11Å; V451-E455 WeakPolarHBondContact CA-OE1 3.45Å; V451-E455 HydrophobicContact CB-CG 4.27Å; V451-E455 WeakPolarHBondContact CB-OE1 3.41Å; V452-E455 HydrophobicContact CG2-CB 4.42Å; V452-E455 HydrophobicContact CG2-CG 3.82Å; V452-E455 WeakPolarHBondContact CG2-OE1 3.07Å; V452-E455 WeakPolarHBondContact CG2-OE2 3.24Å; V452-E455 PolarHBondContact N-OE1 2.98Å; V452-E455 WeakPolarHBondContact O-CG 3.38Å; E455-S530 PolarHBondContact N-OG 3.03Å; E455-I534 HydrophobicContact CB-CB 4.32Å; E455-I534 HydrophobicContact CB-CD1 4.21Å; E455-I534 HydrophobicContact CG-CB 4.16Å; E455-I534 HydrophobicContact CG-CD1 4.42Å; E455-I534 HydrophobicContact CG-CG2 3.97Å; E455-I534 WeakPolarHBondContact OE2-CD1 3.27Å; E455-K535 HydrophobicContact CG-CG 4.16Å; E455-H575 IonicContact OE2-CE1 3.89Å; E455-H575 IonicContact OE2-CG 3.86Å; E455-H575 IonicContact OE2-ND1 3.25Å; E455-H575 PolarHBondContact OE2-ND1 2.89Å
456	G	94.4	Very high	93.3	Very high	2 Å²	2	19.7 Å²	19.7	2%	0.021	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.2	-172.2	0	0	0	0	0	115.3	D454 A459 L460 S530	D454-G456 PolarHBondContact O-N 3.23Å; G456-A459 PolarHBondContact O-N 3.12Å; G456-L460 WeakPolarHBondContact O-CB 3.4Å; G456-L460 PolarHBondContact O-N 3.23Å; G456-S530 PolarHBondContact N-OG 3.23Å
457	S	94.9	Very high	92.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.5	-47.3	-171.2	63.7	0	0	0	0	112.8	D454 A459 L460 E461 I571	D454-S457 PolarHBondContact O-N 2.86Å; D454-S457 VanDerWaalsContact O-N 3.1Å; D454-S457 PolarHBondContact O-OG 2.84Å; D454-S457 VanDerWaalsContact O-OG 3.12Å; S457-A459 VanDerWaalsContact C-N 3.33Å; S457-A459 PolarHBondContact O-N 3.23Å; S457-L460 PolarHBondContact O-N 3.04Å; S457-E461 PolarHBondContact O-N 2.94Å; S457-I571 WeakPolarHBondContact CB-O 3.49Å; S457-I571 PolarHBondContact OG-O 3.25Å
458	L	91.4	Very high	91.7	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-68.9	-32.6	176.2	-62.3	178.7	0	0	0	112.3	H462 I571 Y574 Y829	L458-H462 VanDerWaalsContact O-CB 3.23Å; L458-H462 WeakPolarHBondContact O-CB 3.26Å; L458-H462 PolarHBondContact O-N 2.77Å; L458-H462 VanDerWaalsContact O-N 3.1Å; L458-I571 HydrophobicContact CD2-CD1 3.66Å; L458-I571 HydrophobicContact CD2-CG2 3.86Å; L458-Y574 HydrophobicContact CD1-CD2 3.86Å; L458-Y574 HydrophobicContact CD1-CG 4.2Å; L458-Y829 VanDerWaalsContact CD1-O 3.26Å; L458-Y829 WeakPolarHBondContact CD1-O 3.5Å
459	A	89.3	Confident	90.9	Very high	14 Å²	14	28 Å²	28	12%	0.116	13%	0.132	C	C	.	.	H	α-helix	trans	-68.3	-40.6	175.8	0	0	0	0	0	111.4	G456 S457 F463 V529 M831	G456-A459 PolarHBondContact O-N 3.12Å; S457-A459 VanDerWaalsContact C-N 3.33Å; S457-A459 PolarHBondContact O-N 3.23Å; A459-F463 WeakPolarHBondContact O-CB 3.42Å; A459-F463 PolarHBondContact O-N 3.11Å; A459-V529 HydrophobicContact CB-CG1 3.83Å; A459-M831 HydrophobicContact CB-CE 4.28Å; A459-M831 HydrophobicContact CB-SD 3.64Å
460	L	92.9	Very high	90.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.2	-50.7	175.9	177.6	61.8	0	0	0	111.6	G456 S457 H462 F463 L464 F485 W522 T525 V526 V529	G456-L460 WeakPolarHBondContact O-CB 3.4Å; G456-L460 PolarHBondContact O-N 3.23Å; S457-L460 PolarHBondContact O-N 3.04Å; L460-H462 PolarHBondContact O-N 3Å; L460-F463 PolarHBondContact O-N 2.89Å; L460-F463 VanDerWaalsContact O-N 3.17Å; L460-L464 HydrophobicContact CD1-CD1 3.96Å; L460-L464 HydrophobicContact CD1-CG 4.08Å; L460-L464 HydrophobicContact CG-CD1 3.99Å; L460-L464 HydrophobicContact CG-CG 4.49Å; L460-L464 WeakPolarHBondContact O-CG 3.31Å; L460-L464 PolarHBondContact O-N 3.12Å; L460-F485 HydrophobicContact CD1-CD1 4.42Å; L460-F485 HydrophobicContact CD1-CD2 4Å; L460-F485 HydrophobicContact CD1-CE1 4.11Å; L460-F485 HydrophobicContact CD1-CE2 3.66Å; L460-F485 HydrophobicContact CD1-CG 4.38Å; L460-F485 HydrophobicContact CD1-CZ 3.73Å; L460-W522 HydrophobicContact CD2-CE3 4.38Å; L460-W522 HydrophobicContact CD2-CH2 4.02Å; L460-W522 HydrophobicContact CD2-CZ2 4.17Å; L460-W522 HydrophobicContact CD2-CZ3 4.12Å; L460-W522 HydrophobicContact CG-CH2 4.29Å; L460-T525 HydrophobicContact CD1-CG2 3.82Å; L460-T525 HydrophobicContact CD2-CG2 3.77Å; L460-T525 HydrophobicContact CG-CG2 4.47Å; L460-V526 HydrophobicContact CD2-CG2 3.77Å; L460-V529 HydrophobicContact CB-CG2 4.28Å; L460-V529 HydrophobicContact CD1-CG2 4.31Å
461	E	90.7	Very high	89.6	Confident	47 Å²	47	35.7 Å²	35.7	22%	0.22	17%	0.174	C	C	.	.	H	α-helix	trans	-55.6	-45	178.3	-170.6	-81.8	156.4	0	0	110.7	S457 L464 Y465 H830	S457-E461 PolarHBondContact O-N 2.94Å; E461-L464 PolarHBondContact O-N 2.83Å; E461-Y465 WeakPolarHBondContact O-CB 3.3Å; E461-Y465 PolarHBondContact O-N 2.81Å; E461-H830 IonicContact OE2-CE1 3.44Å; E461-H830 PolarHBondContact OE2-CE1 3.26Å; E461-H830 IonicContact OE2-ND1 3.55Å
462	H	83.9	Confident	89.1	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.046	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-42.9	177.8	-178	59.3	0	0	0	113.6	L458 L460 L464 Y465 K466 M831 S832 S833	L458-H462 VanDerWaalsContact O-CB 3.23Å; L458-H462 WeakPolarHBondContact O-CB 3.26Å; L458-H462 PolarHBondContact O-N 2.77Å; L458-H462 VanDerWaalsContact O-N 3.1Å; L460-H462 PolarHBondContact O-N 3Å; H462-L464 VanDerWaalsContact C-N 3.34Å; H462-L464 PolarHBondContact O-N 3.31Å; H462-Y465 PolarHBondContact O-N 2.68Å; H462-K466 VanDerWaalsContact CE1-CE 3.5Å; H462-K466 WeakPolarHBondContact CE1-CE 3.37Å; H462-K466 WeakPolarHBondContact NE2-CD 3.37Å; H462-K466 WeakPolarHBondContact NE2-CE 3.44Å; H462-K466 PolarHBondContact NE2-NZ 3.46Å; H462-K466 PolarHBondContact O-N 3.1Å; H462-M831 PolarHBondContact CD2-O 2.92Å; H462-M831 PolarHBondContact CE1-O 3.23Å; H462-M831 PolarHBondContact ND1-O 2.99Å; H462-M831 VanDerWaalsContact ND1-O 3.12Å; H462-M831 PolarHBondContact NE2-O 2.79Å; H462-S832 PolarHBondContact CE1-O 2.6Å; H462-S832 VanDerWaalsContact NE2-C 3.26Å; H462-S832 PolarHBondContact NE2-O 3.38Å; H462-S832 PolarHBondContact NE2-OG 3.03Å; H462-S833 PolarHBondContact CE1-N 3.41Å; H462-S833 VanDerWaalsContact CE1-N 3.33Å
463	F	85.5	Confident	88.8	Confident	38 Å²	38	39.6 Å²	39.6	17%	0.167	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-46.9	177.2	-174.4	-78.8	0	0	0	110.7	A459 L460 K466 L467 F485 T488 L489 D492	A459-F463 WeakPolarHBondContact O-CB 3.42Å; A459-F463 PolarHBondContact O-N 3.11Å; L460-F463 PolarHBondContact O-N 2.89Å; L460-F463 VanDerWaalsContact O-N 3.17Å; F463-K466 PolarHBondContact O-N 2.89Å; F463-L467 HydrophobicContact CD1-CD1 4.38Å; F463-L467 HydrophobicContact CE1-CD1 3.7Å; F463-L467 WeakPolarHBondContact O-CB 3.01Å; F463-L467 PolarHBondContact O-N 3.37Å; F463-F485 HydrophobicContact CB-CE2 4.38Å; F463-F485 AromaticContact CD1-CD2 3.38Å; F463-F485 HydrophobicContact CD1-CD2 3.38Å; F463-F485 AromaticContact CD1-CE2 3.44Å; F463-F485 HydrophobicContact CD1-CE2 3.44Å; F463-F485 VanDerWaalsContact CD1-CE2 3.44Å; F463-F485 HydrophobicContact CD2-CE2 4.4Å; F463-F485 AromaticContact CE1-CD2 3.43Å; F463-F485 HydrophobicContact CE1-CD2 3.43Å; F463-F485 VanDerWaalsContact CE1-CD2 3.43Å; F463-F485 AromaticContact CE1-CE2 3.69Å; F463-F485 HydrophobicContact CE1-CE2 3.69Å; F463-F485 HydrophobicContact CG-CD2 4.24Å; F463-F485 AromaticContact CG-CE2 3.83Å; F463-F485 HydrophobicContact CG-CE2 3.83Å; F463-F485 HydrophobicContact CZ-CD2 4.33Å; F463-F485 HydrophobicContact CZ-CE2 4.29Å; F463-T488 HydrophobicContact CE1-CG2 4.26Å; F463-T488 HydrophobicContact CZ-CG2 3.86Å; F463-L489 HydrophobicContact CZ-CB 4.48Å; F463-D492 WeakPolarHBondContact CE2-OD2 3.22Å
464	L	89.4	Confident	88.5	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-41.3	178.9	-65.8	172.3	0	0	0	111.7	L460 E461 H462 K466 L467 D468 Y472 F477 V481 F485 W522	L460-L464 HydrophobicContact CD1-CD1 3.96Å; L460-L464 HydrophobicContact CD1-CG 4.08Å; L460-L464 HydrophobicContact CG-CD1 3.99Å; L460-L464 HydrophobicContact CG-CG 4.49Å; L460-L464 WeakPolarHBondContact O-CG 3.31Å; L460-L464 PolarHBondContact O-N 3.12Å; E461-L464 PolarHBondContact O-N 2.83Å; H462-L464 VanDerWaalsContact C-N 3.34Å; H462-L464 PolarHBondContact O-N 3.31Å; L464-K466 VanDerWaalsContact C-N 3.34Å; L464-K466 PolarHBondContact O-N 2.75Å; L464-L467 PolarHBondContact O-N 3.05Å; L464-L467 VanDerWaalsContact O-N 3.12Å; L464-D468 PolarHBondContact O-N 3.13Å; L464-Y472 HydrophobicContact CB-CD2 3.85Å; L464-Y472 HydrophobicContact CB-CE2 4.16Å; L464-Y472 HydrophobicContact CD1-CD2 4.03Å; L464-Y472 HydrophobicContact CD1-CG 4.45Å; L464-Y472 HydrophobicContact CD2-CE2 4.45Å; L464-Y472 HydrophobicContact CG-CD2 4.36Å; L464-F477 HydrophobicContact CD1-CD2 3.97Å; L464-F477 HydrophobicContact CD1-CE2 3.55Å; L464-F477 HydrophobicContact CD1-CZ 4.46Å; L464-F477 HydrophobicContact CD2-CE2 4.06Å; L464-F477 HydrophobicContact CG-CE2 4.46Å; L464-V481 HydrophobicContact CD2-CG1 4.24Å; L464-F485 HydrophobicContact CD2-CB 4.31Å; L464-F485 HydrophobicContact CD2-CD2 4.21Å; L464-W522 HydrophobicContact CD1-CH2 4.25Å; L464-W522 HydrophobicContact CD1-CZ3 3.92Å
465	Y	86.1	Confident	88.3	Confident	92 Å²	92	43.2 Å²	43.2	36%	0.361	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-42.7	174.5	-178.7	-96.4	0	0	0	112	E461 H462 L467 Q469	E461-Y465 WeakPolarHBondContact O-CB 3.3Å; E461-Y465 PolarHBondContact O-N 2.81Å; H462-Y465 PolarHBondContact O-N 2.68Å; Y465-L467 VanDerWaalsContact C-N 3.3Å; Y465-L467 PolarHBondContact O-N 2.83Å; Y465-Q469 WeakPolarHBondContact O-CA 3.28Å; Y465-Q469 PolarHBondContact O-N 2.63Å
466	K	79.5	Confident	88	Confident	76 Å²	76	47.9 Å²	47.9	33%	0.33	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-37.8	174.1	-83.6	-176.4	167.2	171	0	112.5	H462 F463 L464 Q469 S832	H462-K466 VanDerWaalsContact CE1-CE 3.5Å; H462-K466 WeakPolarHBondContact CE1-CE 3.37Å; H462-K466 WeakPolarHBondContact NE2-CD 3.37Å; H462-K466 WeakPolarHBondContact NE2-CE 3.44Å; H462-K466 PolarHBondContact NE2-NZ 3.46Å; H462-K466 PolarHBondContact O-N 3.1Å; F463-K466 PolarHBondContact O-N 2.89Å; L464-K466 VanDerWaalsContact C-N 3.34Å; L464-K466 PolarHBondContact O-N 2.75Å; K466-Q469 PolarHBondContact O-NE2 3.1Å; K466-S832 WeakPolarHBondContact CE-O 3.42Å; K466-S832 PolarHBondContact NZ-OG 3.28Å
467	L	78.8	Confident	88	Confident	53 Å²	53	47.8 Å²	47.8	28%	0.277	24%	0.237	S	C	.	.	H	α-helix	trans	-72.1	-45.2	-176.3	-163.1	153	0	0	0	112.1	F463 L464 Y465 R484 T488	F463-L467 HydrophobicContact CD1-CD1 4.38Å; F463-L467 HydrophobicContact CE1-CD1 3.7Å; F463-L467 WeakPolarHBondContact O-CB 3.01Å; F463-L467 PolarHBondContact O-N 3.37Å; L464-L467 PolarHBondContact O-N 3.05Å; L464-L467 VanDerWaalsContact O-N 3.12Å; Y465-L467 VanDerWaalsContact C-N 3.3Å; Y465-L467 PolarHBondContact O-N 2.83Å; L467-R484 VanDerWaalsContact CD2-CZ 3.48Å; L467-T488 HydrophobicContact CD1-CG2 3.76Å
468	D	82.8	Confident	87.9	Confident	32 Å²	32	50.7 Å²	50.7	17%	0.171	26%	0.255	C	S	.	.	H	α-helix	trans	-113.1	-6.5	-170.6	-66.4	-63.7	0	0	0	114.8	L464 Y470 Y472 R484	L464-D468 PolarHBondContact O-N 3.13Å; D468-Y470 HydrophobicContact CB-CD1 3.83Å; D468-Y470 HydrophobicContact CB-CE1 3.55Å; D468-Y470 WeakPolarHBondContact O-CD1 3.31Å; D468-Y470 PolarHBondContact O-N 2.84Å; D468-Y472 HydrophobicContact CB-CE2 4.17Å; D468-Y472 VanDerWaalsContact OD2-CE2 3.28Å; D468-Y472 WeakPolarHBondContact OD2-CE2 3.43Å; D468-Y472 PolarHBondContact OD2-OH 3.14Å; D468-R484 IonicContact OD1-CZ 3.83Å; D468-R484 IonicContact OD1-NH1 3.54Å; D468-R484 PolarHBondContact OD1-NH1 3.45Å; D468-R484 IonicContact OD1-NH2 3.97Å; D468-R484 PolarHBondContact OD1-NH2 3.47Å; D468-R484 IonicContact OD2-CZ 3.14Å; D468-R484 IonicContact OD2-NH1 2.69Å; D468-R484 IonicContact OD2-NH2 3.87Å; D468-R484 PolarHBondContact OD2-NH2 2.92Å
469	Q	83.7	Confident	88	Confident	123 Å²	123	53 Å²	53	58%	0.575	27%	0.268	S	S	*	.	S	Bend	trans	63.8	20.8	-175.4	-51.9	-65.5	-63.4	0	0	114	Y465 K466	Y465-Q469 WeakPolarHBondContact O-CA 3.28Å; Y465-Q469 PolarHBondContact O-N 2.63Å; K466-Q469 PolarHBondContact O-NE2 3.1Å
470	Y	85.3	Confident	88.1	Confident	121 Å²	121	57.3 Å²	57.3	48%	0.475	29%	0.292	S	S	.	.	S	Bend	trans	-151.6	156.3	170.4	66	-92.7	0	0	0	111.2	D468 Y472	D468-Y470 HydrophobicContact CB-CD1 3.83Å; D468-Y470 HydrophobicContact CB-CE1 3.55Å; D468-Y470 WeakPolarHBondContact O-CD1 3.31Å; D468-Y470 PolarHBondContact O-N 2.84Å; Y470-Y472 HydrophobicContact CD2-CE2 4.45Å; Y470-Y472 HydrophobicContact CE2-CD1 4.28Å; Y470-Y472 HydrophobicContact CE2-CD2 4.18Å; Y470-Y472 AromaticContact CE2-CE1 3.89Å; Y470-Y472 HydrophobicContact CE2-CE1 3.89Å; Y470-Y472 AromaticContact CE2-CE2 3.81Å; Y470-Y472 HydrophobicContact CE2-CE2 3.81Å; Y470-Y472 HydrophobicContact CE2-CG 4.42Å; Y470-Y472 AromaticContact CE2-CZ 3.66Å; Y470-Y472 AromaticContact CZ-CZ 3.75Å; Y470-Y472 PolarHBondContact OH-OH 3.06Å
471	G	84.4	Confident	88.1	Confident	40 Å²	40	57.9 Å²	57.9	41%	0.412	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-84.1	147.3	176.3	0	0	0	0	0	112.3
472	Y	88.4	Confident	88.3	Confident	18 Å²	18	56 Å²	56	7%	0.071	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-94.7	139.4	178.7	-77.9	-96.5	0	0	0	111.7	L464 D468 Y470 N476 F477 V481 R484	L464-Y472 HydrophobicContact CB-CD2 3.85Å; L464-Y472 HydrophobicContact CB-CE2 4.16Å; L464-Y472 HydrophobicContact CD1-CD2 4.03Å; L464-Y472 HydrophobicContact CD1-CG 4.45Å; L464-Y472 HydrophobicContact CD2-CE2 4.45Å; L464-Y472 HydrophobicContact CG-CD2 4.36Å; D468-Y472 HydrophobicContact CB-CE2 4.17Å; D468-Y472 VanDerWaalsContact OD2-CE2 3.28Å; D468-Y472 WeakPolarHBondContact OD2-CE2 3.43Å; D468-Y472 PolarHBondContact OD2-OH 3.14Å; Y470-Y472 HydrophobicContact CD2-CE2 4.45Å; Y470-Y472 HydrophobicContact CE2-CD1 4.28Å; Y470-Y472 HydrophobicContact CE2-CD2 4.18Å; Y470-Y472 AromaticContact CE2-CE1 3.89Å; Y470-Y472 HydrophobicContact CE2-CE1 3.89Å; Y470-Y472 AromaticContact CE2-CE2 3.81Å; Y470-Y472 HydrophobicContact CE2-CE2 3.81Å; Y470-Y472 HydrophobicContact CE2-CG 4.42Å; Y470-Y472 AromaticContact CE2-CZ 3.66Å; Y470-Y472 AromaticContact CZ-CZ 3.75Å; Y470-Y472 PolarHBondContact OH-OH 3.06Å; Y472-N476 HydrophobicContact CD1-CB 4.43Å; Y472-F477 HydrophobicContact CD1-CD2 4.25Å; Y472-F477 HydrophobicContact CG-CD2 4.23Å; Y472-V481 HydrophobicContact CD1-CG1 4.36Å; Y472-V481 HydrophobicContact CE1-CB 4.38Å; Y472-V481 HydrophobicContact CE1-CG1 3.82Å; Y472-V481 HydrophobicContact CE1-CG2 3.7Å; Y472-V481 HydrophobicContact CE2-CG1 4.29Å; Y472-R484 PolarHBondContact OH-NH2 2.93Å
473	T	90	Very high	88.8	Confident	64 Å²	64	57.8 Å²	57.8	39%	0.393	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-84.6	158.4	159.4	61	0	0	0	0	109.4	E475 N476 F477	T473-E475 VanDerWaalsContact C-N 3.27Å; T473-E475 PolarHBondContact O-N 3.3Å; T473-N476 PolarHBondContact O-N 2.84Å; T473-N476 VanDerWaalsContact O-N 3.16Å; T473-N476 WeakPolarHBondContact OG1-CB 3.5Å; T473-N476 PolarHBondContact OG1-N 2.81Å; T473-N476 PolarHBondContact OG1-ND2 2.8Å; T473-F477 PolarHBondContact O-N 3.28Å; T473-F477 VanDerWaalsContact O-N 3.13Å
474	I	93	Very high	89.1	Confident	13 Å²	13	60 Å²	60	7%	0.067	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-46	177.5	-73.4	166.1	0	0	0	111.6	N476 F477 D518 W522 P569 E570	I474-N476 PolarHBondContact O-N 3.41Å; I474-F477 WeakPolarHBondContact O-CB 3.38Å; I474-F477 PolarHBondContact O-N 3.19Å; I474-D518 HydrophobicContact CG2-CB 3.79Å; I474-W522 HydrophobicContact CG1-CB 4.2Å; I474-W522 HydrophobicContact CG1-CD2 4.41Å; I474-W522 HydrophobicContact CG1-CG 4.01Å; I474-P569 HydrophobicContact CD1-CB 3.85Å; I474-E570 HydrophobicContact CD1-CG 4.32Å; I474-E570 HydrophobicContact CG1-CG 4.02Å
475	E	92.2	Very high	89.2	Confident	153 Å²	153	60 Å²	60	72%	0.715	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-36.5	-178.1	-61.5	175.6	-178.2	0	0	112.8	T473 F477	T473-E475 VanDerWaalsContact C-N 3.27Å; T473-E475 PolarHBondContact O-N 3.3Å; E475-F477 VanDerWaalsContact C-N 3.3Å
476	N	92.1	Very high	89.7	Confident	104 Å²	104	55.7 Å²	55.7	56%	0.556	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.7	-179.9	-72.5	-29	0	0	0	113	Y472 T473 I474 T478	Y472-N476 HydrophobicContact CD1-CB 4.43Å; T473-N476 PolarHBondContact O-N 2.84Å; T473-N476 VanDerWaalsContact O-N 3.16Å; T473-N476 WeakPolarHBondContact OG1-CB 3.5Å; T473-N476 PolarHBondContact OG1-N 2.81Å; T473-N476 PolarHBondContact OG1-ND2 2.8Å; I474-N476 PolarHBondContact O-N 3.41Å; N476-T478 VanDerWaalsContact C-N 3.29Å; N476-T478 PolarHBondContact O-N 2.83Å
477	F	93.2	Very high	90.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.			trans	-82.3	72.8	-179.6	-170.8	-110.2	0	0	0	111	L464 Y472 T473 I474 E475 V481 V482 R521 W522 T525	L464-F477 HydrophobicContact CD1-CD2 3.97Å; L464-F477 HydrophobicContact CD1-CE2 3.55Å; L464-F477 HydrophobicContact CD1-CZ 4.46Å; L464-F477 HydrophobicContact CD2-CE2 4.06Å; L464-F477 HydrophobicContact CG-CE2 4.46Å; Y472-F477 HydrophobicContact CD1-CD2 4.25Å; Y472-F477 HydrophobicContact CG-CD2 4.23Å; T473-F477 PolarHBondContact O-N 3.28Å; T473-F477 VanDerWaalsContact O-N 3.13Å; I474-F477 WeakPolarHBondContact O-CB 3.38Å; I474-F477 PolarHBondContact O-N 3.19Å; E475-F477 VanDerWaalsContact C-N 3.3Å; F477-V481 HydrophobicContact CD2-CB 4.2Å; F477-V481 HydrophobicContact CD2-CG1 3.62Å; F477-V481 HydrophobicContact CE2-CB 4.25Å; F477-V481 HydrophobicContact CE2-CG1 3.51Å; F477-V482 HydrophobicContact CD1-CG2 3.98Å; F477-V482 HydrophobicContact CE1-CG2 3.27Å; F477-V482 HydrophobicContact CZ-CB 4.49Å; F477-V482 HydrophobicContact CZ-CG2 3.59Å; F477-R521 PolarHBondContact O-NE 3.23Å; F477-R521 PolarHBondContact O-NH2 3.39Å; F477-W522 HydrophobicContact CB-CE3 4.02Å; F477-W522 HydrophobicContact CB-CZ3 4.44Å; F477-W522 HydrophobicContact CD1-CB 4.43Å; F477-W522 AromaticContact CD1-CE3 3.64Å; F477-W522 HydrophobicContact CD1-CE3 3.64Å; F477-W522 HydrophobicContact CD1-CZ3 4.36Å; F477-W522 HydrophobicContact CD2-CE3 4.05Å; F477-W522 AromaticContact CD2-CZ3 3.95Å; F477-W522 HydrophobicContact CD2-CZ3 3.95Å; F477-W522 HydrophobicContact CE1-CE3 4.05Å; F477-W522 HydrophobicContact CE2-CE3 4.47Å; F477-W522 HydrophobicContact CE2-CZ3 4.3Å; F477-W522 AromaticContact CG-CE3 3.63Å; F477-W522 HydrophobicContact CG-CE3 3.63Å; F477-W522 AromaticContact CG-CZ3 4Å; F477-W522 HydrophobicContact CG-CZ3 4Å; F477-W522 HydrophobicContact CZ-CE3 4.47Å; F477-T525 HydrophobicContact CE1-CG2 4.27Å; F477-T525 WeakPolarHBondContact CE1-OG1 3.39Å; F477-T525 HydrophobicContact CZ-CG2 3.95Å
478	T	93.5	Very high	90.6	Very high	61 Å²	61	51.5 Å²	51.5	37%	0.374	27%	0.267	S	S	.	.			trans	-72.8	166.4	-173.3	69.8	0	0	0	0	113.8	N476 T480 V481 V482	N476-T478 VanDerWaalsContact C-N 3.29Å; N476-T478 PolarHBondContact O-N 2.83Å; T478-T480 PolarHBondContact O-N 3.42Å; T478-V481 WeakPolarHBondContact O-CA 3.28Å; T478-V481 WeakPolarHBondContact O-CB 3.41Å; T478-V481 PolarHBondContact O-N 2.71Å; T478-V482 PolarHBondContact O-N 3.13Å; T478-V482 VanDerWaalsContact O-N 3.11Å
479	D	93.3	Very high	90.9	Very high	53 Å²	53	50.6 Å²	50.6	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-52.4	-40.8	173.3	-177	64.8	0	0	0	113.1	V481 V482 R483 Y506	D479-V481 VanDerWaalsContact C-N 3.26Å; D479-V481 PolarHBondContact O-N 2.79Å; D479-V482 PolarHBondContact O-N 3.45Å; D479-R483 WeakPolarHBondContact O-CG 3.23Å; D479-R483 PolarHBondContact O-N 3.32Å; D479-R483 IonicContact OD1-NE 2.89Å; D479-R483 WeakPolarHBondContact OD2-CD 3.47Å; D479-R483 IonicContact OD2-CZ 3.74Å; D479-R483 IonicContact OD2-NE 2.66Å; D479-R483 PolarHBondContact OD2-NE 2.75Å; D479-R483 IonicContact OD2-NH2 3.53Å; D479-Y506 VanDerWaalsContact OD1-CE2 3.28Å; D479-Y506 WeakPolarHBondContact OD1-CE2 3.24Å; D479-Y506 PolarHBondContact OD1-OH 3.08Å
480	T	92.2	Very high	91.1	Very high	103 Å²	103	44.8 Å²	44.8	63%	0.632	24%	0.235	S	C	*	.	H	α-helix	trans	-62.1	-36.1	177.4	-56.4	0	0	0	0	111.7	T478 R484	T478-T480 PolarHBondContact O-N 3.42Å; T480-R484 WeakPolarHBondContact O-CB 3.38Å; T480-R484 PolarHBondContact O-N 3.18Å; T480-R484 VanDerWaalsContact O-N 3.1Å
481	V	92.2	Very high	90.9	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-44	176.7	-178	0	0	0	0	110.3	L464 Y472 F477 T478 D479 R483 R484 F485	L464-V481 HydrophobicContact CD2-CG1 4.24Å; Y472-V481 HydrophobicContact CD1-CG1 4.36Å; Y472-V481 HydrophobicContact CE1-CB 4.38Å; Y472-V481 HydrophobicContact CE1-CG1 3.82Å; Y472-V481 HydrophobicContact CE1-CG2 3.7Å; Y472-V481 HydrophobicContact CE2-CG1 4.29Å; F477-V481 HydrophobicContact CD2-CB 4.2Å; F477-V481 HydrophobicContact CD2-CG1 3.62Å; F477-V481 HydrophobicContact CE2-CB 4.25Å; F477-V481 HydrophobicContact CE2-CG1 3.51Å; T478-V481 WeakPolarHBondContact O-CA 3.28Å; T478-V481 WeakPolarHBondContact O-CB 3.41Å; T478-V481 PolarHBondContact O-N 2.71Å; D479-V481 VanDerWaalsContact C-N 3.26Å; D479-V481 PolarHBondContact O-N 2.79Å; V481-R483 PolarHBondContact O-N 3.35Å; V481-R484 PolarHBondContact O-N 3.45Å; V481-F485 VanDerWaalsContact O-CB 3.32Å; V481-F485 WeakPolarHBondContact O-CB 3.31Å; V481-F485 PolarHBondContact O-N 3.42Å
482	V	94.6	Very high	90.6	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-49	176.7	177	0	0	0	0	111.5	F477 T478 D479 R484 F485 I486 Y506 R521	F477-V482 HydrophobicContact CD1-CG2 3.98Å; F477-V482 HydrophobicContact CE1-CG2 3.27Å; F477-V482 HydrophobicContact CZ-CB 4.49Å; F477-V482 HydrophobicContact CZ-CG2 3.59Å; T478-V482 PolarHBondContact O-N 3.13Å; T478-V482 VanDerWaalsContact O-N 3.11Å; D479-V482 PolarHBondContact O-N 3.45Å; V482-R484 PolarHBondContact O-N 3.3Å; V482-F485 WeakPolarHBondContact O-CB 3.35Å; V482-F485 PolarHBondContact O-N 3.24Å; V482-I486 HydrophobicContact CG1-CD1 4Å; V482-I486 WeakPolarHBondContact O-CG1 3.46Å; V482-I486 PolarHBondContact O-N 2.65Å; V482-Y506 HydrophobicContact CG1-CD2 4.4Å; V482-R521 HydrophobicContact CG2-CG 3.71Å
483	R	94.8	Very high	90.1	Very high	46 Å²	46	41 Å²	41	17%	0.174	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-43	-179.3	-65.5	174.7	177.7	-86.6	0.7	111.9	P364 F365 D479 V481 F485 I486 G487 Y506	P364-R483 WeakPolarHBondContact O-CB 3.48Å; F365-R483 HydrophobicContact CD1-CB 3.73Å; F365-R483 HydrophobicContact CD1-CG 4.15Å; F365-R483 WeakPolarHBondContact CD1-O 3.45Å; F365-R483 HydrophobicContact CE1-CB 3.82Å; F365-R483 HydrophobicContact CE1-CG 3.71Å; F365-R483 HydrophobicContact CG-CB 4.47Å; F365-R483 HydrophobicContact CZ-CG 4.24Å; D479-R483 WeakPolarHBondContact O-CG 3.23Å; D479-R483 PolarHBondContact O-N 3.32Å; D479-R483 IonicContact OD1-NE 2.89Å; D479-R483 WeakPolarHBondContact OD2-CD 3.47Å; D479-R483 IonicContact OD2-CZ 3.74Å; D479-R483 IonicContact OD2-NE 2.66Å; D479-R483 PolarHBondContact OD2-NE 2.75Å; D479-R483 IonicContact OD2-NH2 3.53Å; V481-R483 PolarHBondContact O-N 3.35Å; R483-F485 VanDerWaalsContact C-N 3.33Å; R483-F485 PolarHBondContact O-N 3.1Å; R483-I486 PolarHBondContact O-N 3.2Å; R483-G487 PolarHBondContact O-N 3.1Å; R483-Y506 HydrophobicContact CG-CD2 3.79Å; R483-Y506 HydrophobicContact CG-CE2 3.74Å; R483-Y506 VanDerWaalsContact CZ-CZ 3.44Å; R483-Y506 PolarHBondContact NH2-OH 2.91Å
484	R	91.2	Very high	89.4	Confident	84 Å²	84	39.7 Å²	39.7	32%	0.317	21%	0.205	S	C	.	.	H	α-helix	trans	-63.2	-40.6	175.2	-177.8	-179.6	61.7	158.5	1.3	111.6	L467 D468 Y472 T480 V481 V482 G487 T488	L467-R484 VanDerWaalsContact CD2-CZ 3.48Å; D468-R484 IonicContact OD1-CZ 3.83Å; D468-R484 IonicContact OD1-NH1 3.54Å; D468-R484 PolarHBondContact OD1-NH1 3.45Å; D468-R484 IonicContact OD1-NH2 3.97Å; D468-R484 PolarHBondContact OD1-NH2 3.47Å; D468-R484 IonicContact OD2-CZ 3.14Å; D468-R484 IonicContact OD2-NH1 2.69Å; D468-R484 IonicContact OD2-NH2 3.87Å; D468-R484 PolarHBondContact OD2-NH2 2.92Å; Y472-R484 PolarHBondContact OH-NH2 2.93Å; T480-R484 WeakPolarHBondContact O-CB 3.38Å; T480-R484 PolarHBondContact O-N 3.18Å; T480-R484 VanDerWaalsContact O-N 3.1Å; V481-R484 PolarHBondContact O-N 3.45Å; V482-R484 PolarHBondContact O-N 3.3Å; R484-G487 PolarHBondContact O-N 3.26Å; R484-T488 WeakPolarHBondContact O-CB 3.32Å; R484-T488 PolarHBondContact O-N 3.25Å; R484-T488 PolarHBondContact O-OG1 3Å
485	F	92.7	Very high	88.8	Confident	3 Å²	3	39.1 Å²	39.1	1%	0.013	20%	0.202	C	C	.	.	H	α-helix	trans	-57.8	-52.6	174.5	163.2	-102.5	0	0	0	110.9	L460 F463 L464 V481 V482 R483 G487 T488 L489 T525 L528 V529	L460-F485 HydrophobicContact CD1-CD1 4.42Å; L460-F485 HydrophobicContact CD1-CD2 4Å; L460-F485 HydrophobicContact CD1-CE1 4.11Å; L460-F485 HydrophobicContact CD1-CE2 3.66Å; L460-F485 HydrophobicContact CD1-CG 4.38Å; L460-F485 HydrophobicContact CD1-CZ 3.73Å; F463-F485 HydrophobicContact CB-CE2 4.38Å; F463-F485 AromaticContact CD1-CD2 3.38Å; F463-F485 HydrophobicContact CD1-CD2 3.38Å; F463-F485 AromaticContact CD1-CE2 3.44Å; F463-F485 HydrophobicContact CD1-CE2 3.44Å; F463-F485 VanDerWaalsContact CD1-CE2 3.44Å; F463-F485 HydrophobicContact CD2-CE2 4.4Å; F463-F485 AromaticContact CE1-CD2 3.43Å; F463-F485 HydrophobicContact CE1-CD2 3.43Å; F463-F485 VanDerWaalsContact CE1-CD2 3.43Å; F463-F485 AromaticContact CE1-CE2 3.69Å; F463-F485 HydrophobicContact CE1-CE2 3.69Å; F463-F485 HydrophobicContact CG-CD2 4.24Å; F463-F485 AromaticContact CG-CE2 3.83Å; F463-F485 HydrophobicContact CG-CE2 3.83Å; F463-F485 HydrophobicContact CZ-CD2 4.33Å; F463-F485 HydrophobicContact CZ-CE2 4.29Å; L464-F485 HydrophobicContact CD2-CB 4.31Å; L464-F485 HydrophobicContact CD2-CD2 4.21Å; V481-F485 VanDerWaalsContact O-CB 3.32Å; V481-F485 WeakPolarHBondContact O-CB 3.31Å; V481-F485 PolarHBondContact O-N 3.42Å; V482-F485 WeakPolarHBondContact O-CB 3.35Å; V482-F485 PolarHBondContact O-N 3.24Å; R483-F485 VanDerWaalsContact C-N 3.33Å; R483-F485 PolarHBondContact O-N 3.1Å; F485-G487 VanDerWaalsContact C-N 3.35Å; F485-G487 PolarHBondContact O-N 2.76Å; F485-T488 PolarHBondContact O-N 2.97Å; F485-L489 HydrophobicContact CE1-CD2 4.42Å; F485-L489 HydrophobicContact CZ-CD2 4.16Å; F485-L489 WeakPolarHBondContact O-CB 3.36Å; F485-L489 PolarHBondContact O-N 3.09Å; F485-T525 HydrophobicContact CD1-CG2 3.74Å; F485-T525 HydrophobicContact CE1-CG2 3.65Å; F485-L528 HydrophobicContact CE1-CD2 4.31Å; F485-V529 HydrophobicContact CE1-CG2 4.23Å; F485-V529 HydrophobicContact CZ-CG2 3.63Å
486	I	95.1	Very high	88.1	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-57.5	-47.1	178.9	-70.3	171.8	0	0	0	111.2	F365 V482 R483 T488 L489 L490 A502 L505 Y506 L528	F365-I486 HydrophobicContact CD1-CB 4.23Å; F365-I486 HydrophobicContact CD1-CG2 4.14Å; F365-I486 HydrophobicContact CE1-CG2 4.37Å; V482-I486 HydrophobicContact CG1-CD1 4Å; V482-I486 WeakPolarHBondContact O-CG1 3.46Å; V482-I486 PolarHBondContact O-N 2.65Å; R483-I486 PolarHBondContact O-N 3.2Å; I486-T488 PolarHBondContact O-N 3.28Å; I486-L489 PolarHBondContact O-N 2.02Å; I486-L490 HydrophobicContact CG2-CD1 4.05Å; I486-L490 WeakPolarHBondContact O-CG 3.3Å; I486-L490 PolarHBondContact O-N 3.19Å; I486-A502 HydrophobicContact CG2-CB 4.03Å; I486-L505 HydrophobicContact CG2-CB 4.1Å; I486-L505 HydrophobicContact CG2-CD1 4.21Å; I486-Y506 HydrophobicContact CD1-CD2 4.24Å; I486-L528 HydrophobicContact CD1-CD1 4.26Å; I486-L528 HydrophobicContact CG1-CD1 4.09Å
487	G	92	Very high	87.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-40.2	178.6	0	0	0	0	0	113	F365 R483 R484 F485 L490 N491 H498	F365-G487 WeakPolarHBondContact O-CA 3.37Å; R483-G487 PolarHBondContact O-N 3.1Å; R484-G487 PolarHBondContact O-N 3.26Å; F485-G487 VanDerWaalsContact C-N 3.35Å; F485-G487 PolarHBondContact O-N 2.76Å; G487-L490 PolarHBondContact O-N 3.03Å; G487-N491 WeakPolarHBondContact O-CB 3.36Å; G487-N491 PolarHBondContact O-N 3.22Å; G487-N491 PolarHBondContact O-ND2 2.7Å; G487-H498 WeakPolarHBondContact CA-NE2 3.48Å; G487-H498 PolarHBondContact O-NE2 2.99Å; G487-H498 VanDerWaalsContact O-NE2 3.12Å
488	T	86.8	Confident	87.5	Confident	41 Å²	41	35.6 Å²	35.6	25%	0.252	18%	0.177	S	C	.	.	H	α-helix	trans	-66.1	-42.5	176.9	-50.2	0	0	0	0	111.3	F463 L467 R484 F485 I486 L490 N491 D492	F463-T488 HydrophobicContact CE1-CG2 4.26Å; F463-T488 HydrophobicContact CZ-CG2 3.86Å; L467-T488 HydrophobicContact CD1-CG2 3.76Å; R484-T488 WeakPolarHBondContact O-CB 3.32Å; R484-T488 PolarHBondContact O-N 3.25Å; R484-T488 PolarHBondContact O-OG1 3Å; F485-T488 PolarHBondContact O-N 2.97Å; I486-T488 PolarHBondContact O-N 3.28Å; T488-L490 PolarHBondContact O-N 2.74Å; T488-N491 WeakPolarHBondContact O-CB 3.48Å; T488-N491 PolarHBondContact O-N 3.21Å; T488-D492 PolarHBondContact O-N 2.57Å
489	L	87.9	Confident	87.3	Confident	13 Å²	13	35.9 Å²	35.9	7%	0.068	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-48.5	175	173	63.7	0	0	0	111.8	F463 F485 I486 N491 D492 L493 L528 M532	F463-L489 HydrophobicContact CZ-CB 4.48Å; F485-L489 HydrophobicContact CE1-CD2 4.42Å; F485-L489 HydrophobicContact CZ-CD2 4.16Å; F485-L489 WeakPolarHBondContact O-CB 3.36Å; F485-L489 PolarHBondContact O-N 3.09Å; I486-L489 PolarHBondContact O-N 2.02Å; L489-N491 VanDerWaalsContact C-N 3.28Å; L489-N491 PolarHBondContact O-N 3.08Å; L489-D492 PolarHBondContact O-N 2.78Å; L489-D492 VanDerWaalsContact O-N 3.17Å; L489-L493 HydrophobicContact CD1-CD1 4.05Å; L489-L493 HydrophobicContact CD1-CG 4.21Å; L489-L493 HydrophobicContact CG-CD1 4.1Å; L489-L493 VanDerWaalsContact O-CG 3.31Å; L489-L493 WeakPolarHBondContact O-CG 3.41Å; L489-L493 PolarHBondContact O-N 3.48Å; L489-L528 HydrophobicContact CD2-CD2 3.73Å; L489-M532 HydrophobicContact CD1-CE 3.72Å; L489-M532 HydrophobicContact CD1-SD 4.32Å; L489-M532 HydrophobicContact CD2-CE 4.1Å; L489-M532 HydrophobicContact CD2-SD 4.03Å; L489-M532 HydrophobicContact CG-CE 4.45Å
490	L	88	Confident	87.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-34.9	-179.5	-71.2	175	0	0	0	112.9	I486 G487 T488 L493 N494 V495 T501 A502 L505 F681	I486-L490 HydrophobicContact CG2-CD1 4.05Å; I486-L490 WeakPolarHBondContact O-CG 3.3Å; I486-L490 PolarHBondContact O-N 3.19Å; G487-L490 PolarHBondContact O-N 3.03Å; T488-L490 PolarHBondContact O-N 2.74Å; L490-L493 CarbonylContact O-C 3.52Å; L490-L493 PolarHBondContact O-N 2.97Å; L490-N494 PolarHBondContact O-N 3.41Å; L490-N494 VanDerWaalsContact O-N 3.17Å; L490-V495 HydrophobicContact CB-CB 4.19Å; L490-V495 HydrophobicContact CB-CG2 4.39Å; L490-V495 HydrophobicContact CD2-CB 4.11Å; L490-V495 HydrophobicContact CD2-CG1 4.23Å; L490-V495 HydrophobicContact CD2-CG2 3.71Å; L490-V495 WeakPolarHBondContact O-CB 3.45Å; L490-V495 PolarHBondContact O-N 2.91Å; L490-T501 HydrophobicContact CD1-CG2 4.23Å; L490-T501 HydrophobicContact CD2-CG2 3.6Å; L490-A502 VanDerWaalsContact CD1-CA 3.42Å; L490-A502 HydrophobicContact CD1-CB 3.55Å; L490-A502 VanDerWaalsContact CD1-N 3.35Å; L490-L505 HydrophobicContact CD1-CD1 4.31Å; L490-L505 HydrophobicContact CD2-CD1 3.77Å; L490-L505 HydrophobicContact CG-CD1 4.17Å; L490-F681 HydrophobicContact CD2-CE2 4.36Å
491	N	81.8	Confident	87.1	Confident	12 Å²	12	34 Å²	34	6%	0.064	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-48.5	171	-93.6	-28.6	0	0	0	111.3	E367 S368 Y369 G487 T488 L489 L493 N494	E367-N491 PolarHBondContact O-ND2 3.36Å; S368-N491 WeakPolarHBondContact CA-OD1 3.4Å; Y369-N491 HydrophobicContact CD1-CB 3.83Å; Y369-N491 WeakPolarHBondContact CD1-OD1 3.42Å; Y369-N491 HydrophobicContact CE1-CB 3.31Å; Y369-N491 VanDerWaalsContact CE1-CG 3.46Å; Y369-N491 HydrophobicContact CE2-CB 4.29Å; Y369-N491 PolarHBondContact N-OD1 3.48Å; Y369-N491 PolarHBondContact OH-O 3.34Å; G487-N491 WeakPolarHBondContact O-CB 3.36Å; G487-N491 PolarHBondContact O-N 3.22Å; G487-N491 PolarHBondContact O-ND2 2.7Å; T488-N491 WeakPolarHBondContact O-CB 3.48Å; T488-N491 PolarHBondContact O-N 3.21Å; L489-N491 VanDerWaalsContact C-N 3.28Å; L489-N491 PolarHBondContact O-N 3.08Å; N491-L493 PolarHBondContact O-N 3Å; N491-N494 WeakPolarHBondContact O-CA 3.32Å; N491-N494 PolarHBondContact O-N 3.37Å
492	D	77	Confident	87.3	Confident	55 Å²	55	33.3 Å²	33.3	29%	0.294	16%	0.155	S	C	.	.	H	α-helix	trans	-62.2	-31.8	177.3	-72.4	-7.8	0	0	0	112.6	G412 F463 T488 L489 N494	G412-D492 WeakPolarHBondContact CA-O 3.47Å; G412-D492 PolarHBondContact N-O 2.94Å; F463-D492 WeakPolarHBondContact CE2-OD2 3.22Å; T488-D492 PolarHBondContact O-N 2.57Å; L489-D492 PolarHBondContact O-N 2.78Å; L489-D492 VanDerWaalsContact O-N 3.17Å; D492-N494 VanDerWaalsContact C-N 3.27Å; D492-N494 PolarHBondContact O-N 3.22Å
493	L	77.7	Confident	87.3	Confident	33 Å²	33	37.2 Å²	37.2	17%	0.173	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.2	173.1	-66.2	177.6	0	0	0	114	Q308 L489 L490 N491 V495 M532 F681	Q308-L493 VanDerWaalsContact OE1-CD2 3.23Å; L489-L493 HydrophobicContact CD1-CD1 4.05Å; L489-L493 HydrophobicContact CD1-CG 4.21Å; L489-L493 HydrophobicContact CG-CD1 4.1Å; L489-L493 VanDerWaalsContact O-CG 3.31Å; L489-L493 WeakPolarHBondContact O-CG 3.41Å; L489-L493 PolarHBondContact O-N 3.48Å; L490-L493 CarbonylContact O-C 3.52Å; L490-L493 PolarHBondContact O-N 2.97Å; N491-L493 PolarHBondContact O-N 3Å; L493-V495 VanDerWaalsContact C-N 3.31Å; L493-V495 HydrophobicContact CB-CG2 3.91Å; L493-V495 PolarHBondContact O-N 3.41Å; L493-M532 HydrophobicContact CD1-SD 3.85Å; L493-F681 HydrophobicContact CD1-CZ 4.32Å
494	N	75.7	Confident	87.3	Confident	36 Å²	36	38 Å²	38	19%	0.193	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	42.4	-176.9	-155.7	28.6	0	0	0	114	V370 L490 N491 D492 F496	V370-N494 WeakPolarHBondContact CG1-OD1 3.25Å; V370-N494 WeakPolarHBondContact CG2-OD1 3.33Å; L490-N494 PolarHBondContact O-N 3.41Å; L490-N494 VanDerWaalsContact O-N 3.17Å; N491-N494 WeakPolarHBondContact O-CA 3.32Å; N491-N494 PolarHBondContact O-N 3.37Å; D492-N494 VanDerWaalsContact C-N 3.27Å; D492-N494 PolarHBondContact O-N 3.22Å; N494-F496 PolarHBondContact O-N 3.17Å
495	V	80.1	Confident	87.6	Confident	1 Å²	1	34 Å²	34	1%	0.006	16%	0.163	C	C	.	.			trans	-73.5	118.8	-179.6	172.1	0	0	0	0	110.5	L490 L493 T501 F681 A685	L490-V495 HydrophobicContact CB-CB 4.19Å; L490-V495 HydrophobicContact CB-CG2 4.39Å; L490-V495 HydrophobicContact CD2-CB 4.11Å; L490-V495 HydrophobicContact CD2-CG1 4.23Å; L490-V495 HydrophobicContact CD2-CG2 3.71Å; L490-V495 WeakPolarHBondContact O-CB 3.45Å; L490-V495 PolarHBondContact O-N 2.91Å; L493-V495 VanDerWaalsContact C-N 3.31Å; L493-V495 HydrophobicContact CB-CG2 3.91Å; L493-V495 PolarHBondContact O-N 3.41Å; V495-T501 HydrophobicContact CG1-CG2 4.17Å; V495-T501 WeakPolarHBondContact CG1-OG1 3.23Å; V495-F681 HydrophobicContact CG2-CZ 4.4Å; V495-A685 HydrophobicContact CB-CB 4.49Å; V495-A685 HydrophobicContact CG1-CB 3.77Å; V495-A685 HydrophobicContact CG2-CB 4.02Å
496	F	78.7	Confident	87.8	Confident	78 Å²	78	34.5 Å²	34.5	34%	0.342	17%	0.165	S	C	.	.	S	Bend	trans	-69.9	-47.6	-177.1	-180	-109.8	0	0	0	112	V370 N494 H498 A685 E686 V688	V370-F496 HydrophobicContact CG1-CD2 4.38Å; N494-F496 PolarHBondContact O-N 3.17Å; F496-H498 PolarHBondContact O-N 3.06Å; F496-A685 PolarHBondContact N-O 2.99Å; F496-E686 WeakPolarHBondContact CB-O 3.33Å; F496-V688 HydrophobicContact CB-CG2 4.4Å
497	R	83.9	Confident	87.9	Confident	103 Å²	103	37.5 Å²	37.5	39%	0.389	18%	0.183	S	C	.	.	S	Bend	trans	-84.2	55.1	176.6	-65.6	-177.6	176.2	-163.2	4.3	111.4	N499 Q500 T501 L684 A685 E686	R497-N499 PolarHBondContact O-N 2.72Å; R497-Q500 PolarHBondContact O-N 3.18Å; R497-Q500 PolarHBondContact O-OE1 2.85Å; R497-T501 WeakPolarHBondContact O-CB 3.41Å; R497-T501 PolarHBondContact O-N 3.29Å; R497-T501 PolarHBondContact O-OG1 3.12Å; R497-L684 VanDerWaalsContact CB-O 3.31Å; R497-L684 WeakPolarHBondContact CB-O 3.42Å; R497-L684 WeakPolarHBondContact CD-O 3.36Å; R497-A685 PolarHBondContact N-O 3.09Å; R497-E686 IonicContact CZ-OE1 3.97Å; R497-E686 IonicContact NE-OE1 2.71Å; R497-E686 PolarHBondContact NE-OE1 3.14Å; R497-E686 VanDerWaalsContact NE-OE1 3.13Å; R497-E686 IonicContact NH2-OE1 3.57Å; R497-E686 PolarHBondContact NH2-OE1 3.24Å
498	H	87.6	Confident	88.1	Confident	3 Å²	3	40.3 Å²	40.3	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-52.6	-56.5	-169.2	175.9	-86.7	0	0	0	113.6	S368 G487 F496 Q500 T501 A502	S368-H498 VanDerWaalsContact CB-CB 3.44Å; S368-H498 VanDerWaalsContact CB-CG 3.44Å; S368-H498 VanDerWaalsContact OG-CB 3.29Å; S368-H498 WeakPolarHBondContact OG-CB 3.29Å; G487-H498 WeakPolarHBondContact CA-NE2 3.48Å; G487-H498 PolarHBondContact O-NE2 2.99Å; G487-H498 VanDerWaalsContact O-NE2 3.12Å; F496-H498 PolarHBondContact O-N 3.06Å; H498-Q500 PolarHBondContact O-N 3.22Å; H498-T501 PolarHBondContact O-N 2.71Å; H498-A502 VanDerWaalsContact O-CB 3.31Å; H498-A502 WeakPolarHBondContact O-CB 3.4Å; H498-A502 PolarHBondContact O-N 3.19Å
499	N	89.1	Confident	88.6	Confident	67 Å²	67	38.7 Å²	38.7	36%	0.358	18%	0.183	S	C	.	.	H	α-helix	trans	-66.8	-41.6	-172.8	-68.8	-13.1	0	0	0	112.3	R497 T501 A502 E503	R497-N499 PolarHBondContact O-N 2.72Å; N499-T501 VanDerWaalsContact C-N 3.31Å; N499-T501 PolarHBondContact O-N 2.77Å; N499-A502 PolarHBondContact O-N 3.47Å; N499-E503 WeakPolarHBondContact O-CG 3.43Å; N499-E503 PolarHBondContact O-N 3.24Å
500	Q	89.7	Confident	89.1	Confident	115 Å²	115	38.8 Å²	38.8	54%	0.537	19%	0.185	S	C	.	.	H	α-helix	trans	-64	-40.2	177.3	-61.5	87.2	-13.2	0	0	111.2	R497 H498 E504 L684	R497-Q500 PolarHBondContact O-N 3.18Å; R497-Q500 PolarHBondContact O-OE1 2.85Å; H498-Q500 PolarHBondContact O-N 3.22Å; Q500-E504 PolarHBondContact O-N 2.97Å; Q500-L684 HydrophobicContact CB-CD1 4.24Å
501	T	93.5	Very high	89.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.5	-39.1	177.6	-48.5	0	0	0	0	111.4	L490 V495 R497 H498 N499 E504 L505 F681 L684 A685	L490-T501 HydrophobicContact CD1-CG2 4.23Å; L490-T501 HydrophobicContact CD2-CG2 3.6Å; V495-T501 HydrophobicContact CG1-CG2 4.17Å; V495-T501 WeakPolarHBondContact CG1-OG1 3.23Å; R497-T501 WeakPolarHBondContact O-CB 3.41Å; R497-T501 PolarHBondContact O-N 3.29Å; R497-T501 PolarHBondContact O-OG1 3.12Å; H498-T501 PolarHBondContact O-N 2.71Å; N499-T501 VanDerWaalsContact C-N 3.31Å; N499-T501 PolarHBondContact O-N 2.77Å; T501-E504 PolarHBondContact O-N 3.04Å; T501-L505 WeakPolarHBondContact O-CG 3.36Å; T501-L505 PolarHBondContact O-N 2.83Å; T501-F681 HydrophobicContact CG2-CD2 4.27Å; T501-F681 HydrophobicContact CG2-CE2 3.81Å; T501-L684 HydrophobicContact CG2-CD2 4.28Å; T501-L684 HydrophobicContact CG2-CG 4.45Å; T501-A685 HydrophobicContact CG2-CB 4.36Å
502	A	95.2	Very high	90	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-45.4	178.6	0	0	0	0	0	112.1	F365 I486 L490 H498 N499 E504 L505 Y506	F365-A502 HydrophobicContact CB-CB 4.01Å; F365-A502 HydrophobicContact CD1-CB 3.8Å; F365-A502 HydrophobicContact CD2-CB 3.83Å; F365-A502 HydrophobicContact CE1-CB 4.27Å; F365-A502 HydrophobicContact CE2-CB 4.29Å; F365-A502 HydrophobicContact CG-CB 3.57Å; F365-A502 HydrophobicContact CZ-CB 4.49Å; I486-A502 HydrophobicContact CG2-CB 4.03Å; L490-A502 VanDerWaalsContact CD1-CA 3.42Å; L490-A502 HydrophobicContact CD1-CB 3.55Å; L490-A502 VanDerWaalsContact CD1-N 3.35Å; H498-A502 VanDerWaalsContact O-CB 3.31Å; H498-A502 WeakPolarHBondContact O-CB 3.4Å; H498-A502 PolarHBondContact O-N 3.19Å; N499-A502 PolarHBondContact O-N 3.47Å; A502-E504 VanDerWaalsContact C-N 3.33Å; A502-E504 PolarHBondContact O-N 3.48Å; A502-L505 PolarHBondContact O-N 2.91Å; A502-Y506 VanDerWaalsContact O-CB 3.24Å; A502-Y506 WeakPolarHBondContact O-CB 3.43Å; A502-Y506 PolarHBondContact O-N 3.47Å
503	E	95.1	Very high	90.8	Very high	89 Å²	89	52.6 Å²	52.6	42%	0.416	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-40.2	176.6	-71.4	-69.5	179	0	0	111.9	F365 N499 T507	F365-E503 VanDerWaalsContact CE2-CD 3.42Å; F365-E503 HydrophobicContact CE2-CG 4Å; F365-E503 WeakPolarHBondContact CE2-OE1 3.39Å; N499-E503 WeakPolarHBondContact O-CG 3.43Å; N499-E503 PolarHBondContact O-N 3.24Å; E503-T507 WeakPolarHBondContact O-CB 3.37Å; E503-T507 PolarHBondContact O-N 2.99Å; E503-T507 PolarHBondContact O-OG1 3.47Å
504	E	95.4	Very high	91.6	Very high	62 Å²	62	54.5 Å²	54.5	29%	0.29	26%	0.258	S	S	.	.	H	α-helix	trans	-66.5	-47	177.4	-177.6	68.4	-166	0	0	111.7	Q500 T501 A502 T507 R508 F676 L684	Q500-E504 PolarHBondContact O-N 2.97Å; T501-E504 PolarHBondContact O-N 3.04Å; A502-E504 VanDerWaalsContact C-N 3.33Å; A502-E504 PolarHBondContact O-N 3.48Å; E504-T507 PolarHBondContact O-N 3.31Å; E504-R508 WeakPolarHBondContact O-CB 3.45Å; E504-R508 PolarHBondContact O-N 3.49Å; E504-R508 IonicContact OE1-NH2 3.48Å; E504-F676 HydrophobicContact CG-CE2 3.61Å; E504-F676 HydrophobicContact CG-CZ 4.18Å; E504-L684 HydrophobicContact CB-CD2 3.54Å; E504-L684 HydrophobicContact CG-CD2 3.66Å
505	L	97	Very high	92.4	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-47.4	177.3	-74.3	-176.4	0	0	0	111.3	I486 L490 T501 A502 T507 R508 Y509 L528 F676 W677	I486-L505 HydrophobicContact CG2-CB 4.1Å; I486-L505 HydrophobicContact CG2-CD1 4.21Å; L490-L505 HydrophobicContact CD1-CD1 4.31Å; L490-L505 HydrophobicContact CD2-CD1 3.77Å; L490-L505 HydrophobicContact CG-CD1 4.17Å; T501-L505 WeakPolarHBondContact O-CG 3.36Å; T501-L505 PolarHBondContact O-N 2.83Å; A502-L505 PolarHBondContact O-N 2.91Å; L505-T507 VanDerWaalsContact C-N 3.33Å; L505-T507 PolarHBondContact O-N 3.13Å; L505-R508 PolarHBondContact O-N 3.04Å; L505-Y509 HydrophobicContact CD2-CE2 4.46Å; L505-Y509 WeakPolarHBondContact O-CD2 3.37Å; L505-Y509 PolarHBondContact O-N 2.78Å; L505-L528 HydrophobicContact CB-CD1 4.36Å; L505-F676 HydrophobicContact CD2-CE1 3.61Å; L505-F676 HydrophobicContact CD2-CZ 3.69Å; L505-W677 HydrophobicContact CD2-CH2 3.64Å; L505-W677 HydrophobicContact CD2-CZ2 3.8Å; L505-W677 HydrophobicContact CD2-CZ3 4.48Å
506	Y	97.2	Very high	93	Very high	14 Å²	14	65.3 Å²	65.3	6%	0.055	31%	0.31	C	S	.	.	H	α-helix	trans	-59.5	-46.8	176.6	177.4	-92.2	0	0	0	111	F365 D479 V482 R483 I486 A502 R508 Y509 T510 W512	F365-Y506 AromaticContact CE1-CD2 3.98Å; F365-Y506 HydrophobicContact CE1-CD2 3.98Å; F365-Y506 AromaticContact CE1-CG 3.87Å; F365-Y506 HydrophobicContact CE1-CG 3.87Å; F365-Y506 HydrophobicContact CZ-CD1 4.28Å; F365-Y506 HydrophobicContact CZ-CD2 4.19Å; F365-Y506 AromaticContact CZ-CG 3.73Å; F365-Y506 HydrophobicContact CZ-CG 3.73Å; D479-Y506 VanDerWaalsContact OD1-CE2 3.28Å; D479-Y506 WeakPolarHBondContact OD1-CE2 3.24Å; D479-Y506 PolarHBondContact OD1-OH 3.08Å; V482-Y506 HydrophobicContact CG1-CD2 4.4Å; R483-Y506 HydrophobicContact CG-CD2 3.79Å; R483-Y506 HydrophobicContact CG-CE2 3.74Å; R483-Y506 VanDerWaalsContact CZ-CZ 3.44Å; R483-Y506 PolarHBondContact NH2-OH 2.91Å; I486-Y506 HydrophobicContact CD1-CD2 4.24Å; A502-Y506 VanDerWaalsContact O-CB 3.24Å; A502-Y506 WeakPolarHBondContact O-CB 3.43Å; A502-Y506 PolarHBondContact O-N 3.47Å; Y506-R508 VanDerWaalsContact C-N 3.33Å; Y506-R508 PolarHBondContact O-N 3.48Å; Y506-Y509 CarbonylContact O-C 3.49Å; Y506-Y509 PolarHBondContact O-N 3.18Å; Y506-T510 WeakPolarHBondContact CE1-OG1 3.37Å; Y506-T510 VanDerWaalsContact CZ-OG1 3.27Å; Y506-T510 WeakPolarHBondContact O-CB 3.2Å; Y506-T510 PolarHBondContact O-N 2.92Å; Y506-T510 PolarHBondContact O-OG1 3.03Å; Y506-W512 HydrophobicContact CE1-CH2 4.18Å; Y506-W512 HydrophobicContact CE1-CZ2 4.41Å
507	T	96.5	Very high	93.8	Very high	64 Å²	64	64.4 Å²	64.4	39%	0.393	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-41.9	-179.2	-62.7	0	0	0	0	112	E503 E504 L505 W512	E503-T507 WeakPolarHBondContact O-CB 3.37Å; E503-T507 PolarHBondContact O-N 2.99Å; E503-T507 PolarHBondContact O-OG1 3.47Å; E504-T507 PolarHBondContact O-N 3.31Å; L505-T507 VanDerWaalsContact C-N 3.33Å; L505-T507 PolarHBondContact O-N 3.13Å; T507-W512 HydrophobicContact CG2-CZ2 4.16Å; T507-W512 PolarHBondContact O-NE1 3.41Å
508	R	96.6	Very high	94.4	Very high	59 Å²	59	61.9 Å²	61.9	22%	0.223	30%	0.302	C	S	.	.	H	α-helix	trans	-69.4	-39.7	179.3	179.1	169.7	-67.6	-79.9	-5.3	113.3	E504 L505 Y506 R524 S672 D673 F676	E504-R508 WeakPolarHBondContact O-CB 3.45Å; E504-R508 PolarHBondContact O-N 3.49Å; E504-R508 IonicContact OE1-NH2 3.48Å; L505-R508 PolarHBondContact O-N 3.04Å; Y506-R508 VanDerWaalsContact C-N 3.33Å; Y506-R508 PolarHBondContact O-N 3.48Å; R508-R524 PolarHBondContact O-NH2 3.03Å; R508-S672 PolarHBondContact NH1-OG 3.36Å; R508-D673 WeakPolarHBondContact CD-OD1 3.13Å; R508-D673 IonicContact CZ-OD1 3.23Å; R508-D673 IonicContact NH1-OD1 3.24Å; R508-D673 PolarHBondContact NH1-OD1 2.95Å; R508-F676 VanDerWaalsContact NE-CG 3.34Å
509	Y	97.7	Very high	94.7	Very high	7 Å²	7	64.8 Å²	64.8	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-102	17.4	-175.7	-67.2	-79.4	0	0	0	113.4	L505 Y506 R524 D527 L528 D531 W677	L505-Y509 HydrophobicContact CD2-CE2 4.46Å; L505-Y509 WeakPolarHBondContact O-CD2 3.37Å; L505-Y509 PolarHBondContact O-N 2.78Å; Y506-Y509 CarbonylContact O-C 3.49Å; Y506-Y509 PolarHBondContact O-N 3.18Å; Y509-R524 WeakPolarHBondContact CD1-O 3.41Å; Y509-R524 WeakPolarHBondContact O-CB 3.34Å; Y509-D527 HydrophobicContact CD1-CB 4.04Å; Y509-D527 HydrophobicContact CE1-CB 3.89Å; Y509-L528 HydrophobicContact CD1-CB 3.76Å; Y509-L528 HydrophobicContact CD2-CB 3.78Å; Y509-L528 HydrophobicContact CD2-CD1 3.76Å; Y509-L528 HydrophobicContact CD2-CG 3.74Å; Y509-L528 VanDerWaalsContact CE1-CA 3.45Å; Y509-L528 HydrophobicContact CE1-CB 4Å; Y509-L528 HydrophobicContact CE2-CB 4.01Å; Y509-L528 HydrophobicContact CE2-CD1 4.4Å; Y509-L528 HydrophobicContact CE2-CG 3.93Å; Y509-L528 HydrophobicContact CG-CB 3.64Å; Y509-L528 HydrophobicContact CG-CD1 4.09Å; Y509-L528 HydrophobicContact CG-CG 4.12Å; Y509-D531 WeakPolarHBondContact CE1-OD2 3.47Å; Y509-D531 VanDerWaalsContact OH-CB 3.29Å; Y509-D531 WeakPolarHBondContact OH-CB 3.31Å; Y509-D531 PolarHBondContact OH-OD2 3.34Å; Y509-W677 HydrophobicContact CE2-CZ2 4.15Å; Y509-W677 AromaticContact CZ-NE1 3.9Å; Y509-W677 PolarHBondContact OH-NE1 3.46Å
510	T	97	Very high	95	Very high	16 Å²	16	62.3 Å²	62.3	10%	0.098	31%	0.31	C	S	.	.	S	Bend	trans	-90.5	134.5	167.9	-69.1	0	0	0	0	110.4	Y506 W512 L515	Y506-T510 WeakPolarHBondContact CE1-OG1 3.37Å; Y506-T510 VanDerWaalsContact CZ-OG1 3.27Å; Y506-T510 WeakPolarHBondContact O-CB 3.2Å; Y506-T510 PolarHBondContact O-N 2.92Å; Y506-T510 PolarHBondContact O-OG1 3.03Å; T510-W512 HydrophobicContact CG2-CD2 3.68Å; T510-W512 HydrophobicContact CG2-CE3 3.94Å; T510-W512 HydrophobicContact CG2-CG 4.18Å; T510-W512 HydrophobicContact CG2-CH2 4.2Å; T510-W512 HydrophobicContact CG2-CZ2 3.96Å; T510-W512 HydrophobicContact CG2-CZ3 4.18Å; T510-W512 VanDerWaalsContact O-CD1 3.26Å; T510-W512 PolarHBondContact O-N 3.2Å; T510-W512 VanDerWaalsContact O-N 3.13Å; T510-L515 HydrophobicContact CG2-CD2 3.47Å; T510-L515 VanDerWaalsContact CG2-CD2 3.47Å
511	W	94.1	Very high	95.3	Very high	111 Å²	111	58.6 Å²	58.6	42%	0.42	29%	0.29	S	S	.	.			trans	-83.1	81.1	172.3	-171.7	-108.8	0	0	0	111.4	S513 N514 A520 R524	W511-S513 PolarHBondContact O-N 2.9Å; W511-S513 VanDerWaalsContact O-N 3.16Å; W511-N514 CarbonylContact O-C 3.5Å; W511-N514 PolarHBondContact O-N 2.91Å; W511-A520 HydrophobicContact CB-CB 3.84Å; W511-A520 VanDerWaalsContact CD1-CB 3.45Å; W511-A520 HydrophobicContact CD2-CB 4.14Å; W511-A520 HydrophobicContact CG-CB 3.52Å; W511-R524 HydrophobicContact CB-CG 4.17Å; W511-R524 HydrophobicContact CE3-CG 4.34Å
512	W	95.1	Very high	95.5	Very high	144 Å²	144	58.8 Å²	58.8	55%	0.545	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23	-173.2	-64.7	105.2	0	0	0	115.3	Y506 T507 T510 N514 L515	Y506-W512 HydrophobicContact CE1-CH2 4.18Å; Y506-W512 HydrophobicContact CE1-CZ2 4.41Å; T507-W512 HydrophobicContact CG2-CZ2 4.16Å; T507-W512 PolarHBondContact O-NE1 3.41Å; T510-W512 HydrophobicContact CG2-CD2 3.68Å; T510-W512 HydrophobicContact CG2-CE3 3.94Å; T510-W512 HydrophobicContact CG2-CG 4.18Å; T510-W512 HydrophobicContact CG2-CH2 4.2Å; T510-W512 HydrophobicContact CG2-CZ2 3.96Å; T510-W512 HydrophobicContact CG2-CZ3 4.18Å; T510-W512 VanDerWaalsContact O-CD1 3.26Å; T510-W512 PolarHBondContact O-N 3.2Å; T510-W512 VanDerWaalsContact O-N 3.13Å; W512-N514 PolarHBondContact O-N 3.24Å; W512-L515 HydrophobicContact CE3-CD2 4.14Å
513	S	94.6	Very high	95.5	Very high	102 Å²	102	64 Å²	64	71%	0.713	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.1	179.8	-54.9	0	0	0	0	113	W511	W511-S513 PolarHBondContact O-N 2.9Å; W511-S513 VanDerWaalsContact O-N 3.16Å
514	N	94.4	Very high	95.6	Very high	73 Å²	73	61.8 Å²	61.8	39%	0.39	30%	0.302	S	S	.	.			trans	-160.1	104.2	174	-176.2	-2.8	0	0	0	110.4	W511 W512 E516 N517	W511-N514 CarbonylContact O-C 3.5Å; W511-N514 PolarHBondContact O-N 2.91Å; W512-N514 PolarHBondContact O-N 3.24Å; N514-E516 VanDerWaalsContact C-N 3.26Å; N514-E516 PolarHBondContact O-N 2.65Å; N514-E516 WeakPolarHBondContact OD1-CB 3.49Å; N514-E516 PolarHBondContact OD1-N 3.35Å; N514-N517 HydrophobicContact CB-CB 4.1Å; N514-N517 WeakPolarHBondContact O-CB 3.45Å; N514-N517 PolarHBondContact O-N 2.84Å
515	L	93.2	Very high	95.7	Very high	95 Å²	95	58.9 Å²	58.9	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18	-179.6	-60.3	179.3	0	0	0	113.6	T510 W512 N517	T510-L515 HydrophobicContact CG2-CD2 3.47Å; T510-L515 VanDerWaalsContact CG2-CD2 3.47Å; W512-L515 HydrophobicContact CE3-CD2 4.14Å; L515-N517 VanDerWaalsContact C-N 3.28Å
516	E	92.6	Very high	95.7	Very high	169 Å²	169	59 Å²	59	79%	0.79	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.3	175.9	-57.5	-178.6	168.8	0	0	112.1	N514 D518	N514-E516 VanDerWaalsContact C-N 3.26Å; N514-E516 PolarHBondContact O-N 2.65Å; N514-E516 WeakPolarHBondContact OD1-CB 3.49Å; N514-E516 PolarHBondContact OD1-N 3.35Å; E516-D518 PolarHBondContact O-N 3.28Å
517	N	95	Very high	95.8	Very high	59 Å²	59	59.4 Å²	59.4	32%	0.316	29%	0.292	S	S	.	.			trans	-84.6	91.1	177.3	-171.3	-25.8	0	0	0	111	N514 L515 T519 A520 R521	N514-N517 HydrophobicContact CB-CB 4.1Å; N514-N517 WeakPolarHBondContact O-CB 3.45Å; N514-N517 PolarHBondContact O-N 2.84Å; L515-N517 VanDerWaalsContact C-N 3.28Å; N517-T519 VanDerWaalsContact C-N 3.31Å; N517-T519 PolarHBondContact O-N 3.05Å; N517-T519 PolarHBondContact OD1-N 2.98Å; N517-A520 HydrophobicContact CB-CB 3.97Å; N517-A520 PolarHBondContact O-N 2.95Å; N517-A520 VanDerWaalsContact O-N 3.15Å; N517-A520 PolarHBondContact OD1-N 2.83Å; N517-R521 PolarHBondContact O-N 3.4Å
518	D	95.1	Very high	95.8	Very high	49 Å²	49	56.4 Å²	56.4	26%	0.262	27%	0.274	S	S	.	.	H	α-helix	trans	-57.9	-41	-178.9	-61	-26.6	0	0	0	112.7	I474 E516 A520 R521 W522	I474-D518 HydrophobicContact CG2-CB 3.79Å; E516-D518 PolarHBondContact O-N 3.28Å; D518-A520 VanDerWaalsContact C-N 3.35Å; D518-A520 PolarHBondContact O-N 3.46Å; D518-R521 PolarHBondContact O-N 2.9Å; D518-R521 IonicContact OD1-CZ 2.83Å; D518-R521 VanDerWaalsContact OD1-CZ 3.29Å; D518-R521 IonicContact OD1-NH1 2.77Å; D518-R521 PolarHBondContact OD1-NH1 3.1Å; D518-R521 IonicContact OD1-NH2 3.87Å; D518-R521 PolarHBondContact OD1-NH2 3.23Å; D518-W522 PolarHBondContact O-N 3.4Å
519	T	95.3	Very high	95.8	Very high	65 Å²	65	54 Å²	54	40%	0.399	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-42.5	177	-56.9	0	0	0	0	111.8	N517 K523	N517-T519 VanDerWaalsContact C-N 3.31Å; N517-T519 PolarHBondContact O-N 3.05Å; N517-T519 PolarHBondContact OD1-N 2.98Å; T519-K523 HydrophobicContact CG2-CD 4.4Å; T519-K523 WeakPolarHBondContact O-CB 3.48Å; T519-K523 WeakPolarHBondContact O-CG 3.41Å; T519-K523 PolarHBondContact O-N 3.46Å
520	A	95.7	Very high	95.8	Very high	15 Å²	15	53.7 Å²	53.7	12%	0.124	26%	0.264	C	S	.	.	H	α-helix	trans	-68.4	-40.1	177.7	0	0	0	0	0	111.4	W511 N517 D518 K523 R524	W511-A520 HydrophobicContact CB-CB 3.84Å; W511-A520 VanDerWaalsContact CD1-CB 3.45Å; W511-A520 HydrophobicContact CD2-CB 4.14Å; W511-A520 HydrophobicContact CG-CB 3.52Å; N517-A520 HydrophobicContact CB-CB 3.97Å; N517-A520 PolarHBondContact O-N 2.95Å; N517-A520 VanDerWaalsContact O-N 3.15Å; N517-A520 PolarHBondContact OD1-N 2.83Å; D518-A520 VanDerWaalsContact C-N 3.35Å; D518-A520 PolarHBondContact O-N 3.46Å; A520-K523 PolarHBondContact O-N 2.79Å; A520-R524 VanDerWaalsContact O-CG 3.3Å; A520-R524 WeakPolarHBondContact O-CG 3.3Å; A520-R524 PolarHBondContact O-N 2.88Å
521	R	96.3	Very high	95.9	Very high	36 Å²	36	52.9 Å²	52.9	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-45	174.9	-176.7	171.5	64.2	-131.9	-6.3	111.9	F477 V482 N517 D518 T525	F477-R521 PolarHBondContact O-NE 3.23Å; F477-R521 PolarHBondContact O-NH2 3.39Å; V482-R521 HydrophobicContact CG2-CG 3.71Å; N517-R521 PolarHBondContact O-N 3.4Å; D518-R521 PolarHBondContact O-N 2.9Å; D518-R521 IonicContact OD1-CZ 2.83Å; D518-R521 VanDerWaalsContact OD1-CZ 3.29Å; D518-R521 IonicContact OD1-NH1 2.77Å; D518-R521 PolarHBondContact OD1-NH1 3.1Å; D518-R521 IonicContact OD1-NH2 3.87Å; D518-R521 PolarHBondContact OD1-NH2 3.23Å; R521-T525 PolarHBondContact O-N 3.03Å; R521-T525 VanDerWaalsContact O-N 3.16Å; R521-T525 PolarHBondContact O-OG1 2.95Å
522	W	95.9	Very high	95.9	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-55	173.6	177.1	-96.6	0	0	0	111.5	L460 L464 I474 F477 D518 R524 T525 V526 E570	L460-W522 HydrophobicContact CD2-CE3 4.38Å; L460-W522 HydrophobicContact CD2-CH2 4.02Å; L460-W522 HydrophobicContact CD2-CZ2 4.17Å; L460-W522 HydrophobicContact CD2-CZ3 4.12Å; L460-W522 HydrophobicContact CG-CH2 4.29Å; L464-W522 HydrophobicContact CD1-CH2 4.25Å; L464-W522 HydrophobicContact CD1-CZ3 3.92Å; I474-W522 HydrophobicContact CG1-CB 4.2Å; I474-W522 HydrophobicContact CG1-CD2 4.41Å; I474-W522 HydrophobicContact CG1-CG 4.01Å; F477-W522 HydrophobicContact CB-CE3 4.02Å; F477-W522 HydrophobicContact CB-CZ3 4.44Å; F477-W522 HydrophobicContact CD1-CB 4.43Å; F477-W522 AromaticContact CD1-CE3 3.64Å; F477-W522 HydrophobicContact CD1-CE3 3.64Å; F477-W522 HydrophobicContact CD1-CZ3 4.36Å; F477-W522 HydrophobicContact CD2-CE3 4.05Å; F477-W522 AromaticContact CD2-CZ3 3.95Å; F477-W522 HydrophobicContact CD2-CZ3 3.95Å; F477-W522 HydrophobicContact CE1-CE3 4.05Å; F477-W522 HydrophobicContact CE2-CE3 4.47Å; F477-W522 HydrophobicContact CE2-CZ3 4.3Å; F477-W522 AromaticContact CG-CE3 3.63Å; F477-W522 HydrophobicContact CG-CE3 3.63Å; F477-W522 AromaticContact CG-CZ3 4Å; F477-W522 HydrophobicContact CG-CZ3 4Å; F477-W522 HydrophobicContact CZ-CE3 4.47Å; D518-W522 PolarHBondContact O-N 3.4Å; W522-R524 VanDerWaalsContact C-N 3.31Å; W522-R524 PolarHBondContact O-N 2.95Å; W522-T525 WeakPolarHBondContact O-CA 3.38Å; W522-T525 WeakPolarHBondContact O-CB 3.12Å; W522-T525 PolarHBondContact O-N 3.23Å; W522-V526 HydrophobicContact CZ2-CG2 4.46Å; W522-V526 PolarHBondContact O-N 3.15Å; W522-E570 HydrophobicContact CZ2-CB 4.1Å; W522-E570 WeakPolarHBondContact CZ2-O 3.34Å; W522-E570 PolarHBondContact NE1-O 2.89Å
523	K	96.3	Very high	95.7	Very high	110 Å²	110	42.8 Å²	42.8	48%	0.478	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-38.6	-178.6	-75.3	-173.3	175	-166	0	113.2	T519 A520 T525 V526 D527	T519-K523 HydrophobicContact CG2-CD 4.4Å; T519-K523 WeakPolarHBondContact O-CB 3.48Å; T519-K523 WeakPolarHBondContact O-CG 3.41Å; T519-K523 PolarHBondContact O-N 3.46Å; A520-K523 PolarHBondContact O-N 2.79Å; K523-T525 VanDerWaalsContact C-N 3.3Å; K523-T525 PolarHBondContact O-N 3.02Å; K523-V526 PolarHBondContact O-N 3.24Å; K523-D527 PolarHBondContact O-N 3.32Å
524	R	96.8	Very high	95.7	Very high	42 Å²	42	38.5 Å²	38.5	16%	0.158	19%	0.192	C	C	.	.	H	α-helix	trans	-69.2	-29	175.7	-65.9	-63	-68	166.3	-6.3	112.7	R508 Y509 W511 A520 W522 D527 L528	R508-R524 PolarHBondContact O-NH2 3.03Å; Y509-R524 WeakPolarHBondContact CD1-O 3.41Å; Y509-R524 WeakPolarHBondContact O-CB 3.34Å; W511-R524 HydrophobicContact CB-CG 4.17Å; W511-R524 HydrophobicContact CE3-CG 4.34Å; A520-R524 VanDerWaalsContact O-CG 3.3Å; A520-R524 WeakPolarHBondContact O-CG 3.3Å; A520-R524 PolarHBondContact O-N 2.88Å; W522-R524 VanDerWaalsContact C-N 3.31Å; W522-R524 PolarHBondContact O-N 2.95Å; R524-D527 IonicContact CZ-OD2 3.57Å; R524-D527 IonicContact NH1-OD2 2.85Å; R524-D527 PolarHBondContact NH1-OD2 3.48Å; R524-D527 WeakPolarHBondContact O-CB 3.16Å; R524-D527 PolarHBondContact O-N 3.4Å; R524-L528 PolarHBondContact O-N 2.67Å; R524-L528 VanDerWaalsContact O-N 3.08Å
525	T	97.3	Very high	95.9	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-72.9	-38.4	172.2	-50.7	0	0	0	0	111.4	L460 F477 F485 R521 W522 K523 D527 L528 V529	L460-T525 HydrophobicContact CD1-CG2 3.82Å; L460-T525 HydrophobicContact CD2-CG2 3.77Å; L460-T525 HydrophobicContact CG-CG2 4.47Å; F477-T525 HydrophobicContact CE1-CG2 4.27Å; F477-T525 WeakPolarHBondContact CE1-OG1 3.39Å; F477-T525 HydrophobicContact CZ-CG2 3.95Å; F485-T525 HydrophobicContact CD1-CG2 3.74Å; F485-T525 HydrophobicContact CE1-CG2 3.65Å; R521-T525 PolarHBondContact O-N 3.03Å; R521-T525 VanDerWaalsContact O-N 3.16Å; R521-T525 PolarHBondContact O-OG1 2.95Å; W522-T525 WeakPolarHBondContact O-CA 3.38Å; W522-T525 WeakPolarHBondContact O-CB 3.12Å; W522-T525 PolarHBondContact O-N 3.23Å; K523-T525 VanDerWaalsContact C-N 3.3Å; K523-T525 PolarHBondContact O-N 3.02Å; T525-D527 VanDerWaalsContact C-N 3.32Å; T525-D527 PolarHBondContact O-N 3.48Å; T525-L528 WeakPolarHBondContact O-CB 3.29Å; T525-L528 PolarHBondContact O-N 3.2Å; T525-V529 PolarHBondContact O-N 3.33Å
526	V	97.6	Very high	96.1	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-43.9	170.7	172.4	0	0	0	0	110.9	D454 L460 W522 K523 L528 V529 S530	D454-V526 HydrophobicContact CB-CG1 3.97Å; L460-V526 HydrophobicContact CD2-CG2 3.77Å; W522-V526 HydrophobicContact CZ2-CG2 4.46Å; W522-V526 PolarHBondContact O-N 3.15Å; K523-V526 PolarHBondContact O-N 3.24Å; V526-L528 VanDerWaalsContact C-N 3.31Å; V526-L528 PolarHBondContact O-N 2.92Å; V526-V529 PolarHBondContact O-N 3.16Å; V526-S530 VanDerWaalsContact O-CB 3.28Å; V526-S530 WeakPolarHBondContact O-CB 3.5Å; V526-S530 PolarHBondContact O-N 3.24Å; V526-S530 PolarHBondContact O-OG 3.47Å
527	D	98.1	Very high	96.3	Very high	22 Å²	22	23.5 Å²	23.5	12%	0.118	12%	0.119	C	C	.	.	H	α-helix	trans	-56.3	-43.1	173.8	-93.2	-11.7	0	0	0	112	Y509 K523 R524 T525 V529 S530 D531 K535 R670	Y509-D527 HydrophobicContact CD1-CB 4.04Å; Y509-D527 HydrophobicContact CE1-CB 3.89Å; K523-D527 PolarHBondContact O-N 3.32Å; R524-D527 IonicContact CZ-OD2 3.57Å; R524-D527 IonicContact NH1-OD2 2.85Å; R524-D527 PolarHBondContact NH1-OD2 3.48Å; R524-D527 WeakPolarHBondContact O-CB 3.16Å; R524-D527 PolarHBondContact O-N 3.4Å; T525-D527 VanDerWaalsContact C-N 3.32Å; T525-D527 PolarHBondContact O-N 3.48Å; D527-V529 PolarHBondContact O-N 3.24Å; D527-S530 PolarHBondContact O-N 2.91Å; D527-D531 VanDerWaalsContact O-CB 3.25Å; D527-D531 WeakPolarHBondContact O-CB 3.33Å; D527-D531 PolarHBondContact O-N 3.49Å; D527-K535 IonicContact OD1-NZ 3.12Å; D527-R670 IonicContact OD1-CZ 3.54Å; D527-R670 IonicContact OD1-NH1 3.21Å; D527-R670 PolarHBondContact OD1-NH1 3.33Å; D527-R670 IonicContact OD1-NH2 3.55Å; D527-R670 PolarHBondContact OD1-NH2 3.01Å; D527-R670 IonicContact OD2-CZ 3.72Å; D527-R670 IonicContact OD2-NH1 2.77Å; D527-R670 PolarHBondContact OD2-NH1 3.13Å; D527-R670 VanDerWaalsContact OD2-NH1 3.08Å; D527-R670 IonicContact OD2-NH2 3.95Å; D527-R670 PolarHBondContact OD2-NH2 2.92Å
528	L	97.9	Very high	96.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-56.2	-52.8	177.2	-176.2	163.6	0	0	0	111.2	F485 I486 L489 L505 Y509 R524 T525 V526 D531 M532 W677	F485-L528 HydrophobicContact CE1-CD2 4.31Å; I486-L528 HydrophobicContact CD1-CD1 4.26Å; I486-L528 HydrophobicContact CG1-CD1 4.09Å; L489-L528 HydrophobicContact CD2-CD2 3.73Å; L505-L528 HydrophobicContact CB-CD1 4.36Å; Y509-L528 HydrophobicContact CD1-CB 3.76Å; Y509-L528 HydrophobicContact CD2-CB 3.78Å; Y509-L528 HydrophobicContact CD2-CD1 3.76Å; Y509-L528 HydrophobicContact CD2-CG 3.74Å; Y509-L528 VanDerWaalsContact CE1-CA 3.45Å; Y509-L528 HydrophobicContact CE1-CB 4Å; Y509-L528 HydrophobicContact CE2-CB 4.01Å; Y509-L528 HydrophobicContact CE2-CD1 4.4Å; Y509-L528 HydrophobicContact CE2-CG 3.93Å; Y509-L528 HydrophobicContact CG-CB 3.64Å; Y509-L528 HydrophobicContact CG-CD1 4.09Å; Y509-L528 HydrophobicContact CG-CG 4.12Å; R524-L528 PolarHBondContact O-N 2.67Å; R524-L528 VanDerWaalsContact O-N 3.08Å; T525-L528 WeakPolarHBondContact O-CB 3.29Å; T525-L528 PolarHBondContact O-N 3.2Å; V526-L528 VanDerWaalsContact C-N 3.31Å; V526-L528 PolarHBondContact O-N 2.92Å; L528-D531 PolarHBondContact O-N 3.19Å; L528-M532 WeakPolarHBondContact O-CB 3.32Å; L528-M532 PolarHBondContact O-N 3.43Å; L528-M532 VanDerWaalsContact O-N 3.12Å; L528-W677 HydrophobicContact CG-CZ2 4.43Å
529	V	96.2	Very high	96.6	Very high	9 Å²	9	18.4 Å²	18.4	6%	0.055	9%	0.092	C	C	.	.	H	α-helix	trans	-65.7	-43	-178.9	-179.3	0	0	0	0	110.6	A459 L460 F485 T525 V526 D527 D531 M532 E533	A459-V529 HydrophobicContact CB-CG1 3.83Å; L460-V529 HydrophobicContact CB-CG2 4.28Å; L460-V529 HydrophobicContact CD1-CG2 4.31Å; F485-V529 HydrophobicContact CE1-CG2 4.23Å; F485-V529 HydrophobicContact CZ-CG2 3.63Å; T525-V529 PolarHBondContact O-N 3.33Å; V526-V529 PolarHBondContact O-N 3.16Å; D527-V529 PolarHBondContact O-N 3.24Å; V529-D531 PolarHBondContact O-N 2.82Å; V529-M532 PolarHBondContact O-N 2.81Å; V529-E533 HydrophobicContact CG1-CG 4.07Å; V529-E533 WeakPolarHBondContact O-CB 3.06Å; V529-E533 WeakPolarHBondContact O-CG 3.24Å; V529-E533 PolarHBondContact O-N 3.16Å
530	S	97.8	Very high	96.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.9	-46.9	178.3	-58.1	0	0	0	0	112.1	E455 G456 V526 D527 I534 K535	E455-S530 PolarHBondContact N-OG 3.03Å; G456-S530 PolarHBondContact N-OG 3.23Å; V526-S530 VanDerWaalsContact O-CB 3.28Å; V526-S530 WeakPolarHBondContact O-CB 3.5Å; V526-S530 PolarHBondContact O-N 3.24Å; V526-S530 PolarHBondContact O-OG 3.47Å; D527-S530 PolarHBondContact O-N 2.91Å; S530-I534 PolarHBondContact O-N 3.22Å; S530-K535 WeakPolarHBondContact O-CG 3.32Å; S530-K535 PolarHBondContact O-N 3.36Å
531	D	98.2	Very high	96.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	I	π-helix	trans	-67	-42.7	-176.8	-69.9	-21.8	0	0	0	111.6	Y509 D527 L528 V529 K535 S536 R670 M674	Y509-D531 WeakPolarHBondContact CE1-OD2 3.47Å; Y509-D531 VanDerWaalsContact OH-CB 3.29Å; Y509-D531 WeakPolarHBondContact OH-CB 3.31Å; Y509-D531 PolarHBondContact OH-OD2 3.34Å; D527-D531 VanDerWaalsContact O-CB 3.25Å; D527-D531 WeakPolarHBondContact O-CB 3.33Å; D527-D531 PolarHBondContact O-N 3.49Å; L528-D531 PolarHBondContact O-N 3.19Å; V529-D531 PolarHBondContact O-N 2.82Å; D531-K535 VanDerWaalsContact OD1-CD 3.3Å; D531-K535 WeakPolarHBondContact OD1-CD 3.44Å; D531-S536 WeakPolarHBondContact O-CB 3.44Å; D531-S536 PolarHBondContact O-N 3.03Å; D531-R670 IonicContact OD1-CZ 3.36Å; D531-R670 IonicContact OD1-NE 2.74Å; D531-R670 PolarHBondContact OD1-NE 2.88Å; D531-R670 IonicContact OD1-NH2 2.79Å; D531-R670 PolarHBondContact OD1-NH2 3.29Å; D531-R670 IonicContact OD2-CZ 3.76Å; D531-R670 IonicContact OD2-NE 3.08Å; D531-R670 PolarHBondContact OD2-NE 3.26Å; D531-R670 IonicContact OD2-NH2 3.93Å; D531-R670 PolarHBondContact OD2-NH2 2.94Å; D531-M674 HydrophobicContact CB-CE 3.86Å; D531-M674 VanDerWaalsContact OD1-CE 3.31Å; D531-M674 WeakPolarHBondContact OD1-CE 3.34Å
532	M	94	Very high	96.7	Very high	12 Å²	12	13.8 Å²	13.8	6%	0.059	7%	0.067	C	C	.	.	I	π-helix	trans	-68.5	-48.7	179.9	-175.7	-178.6	78.3	0	0	112.7	L489 L493 L528 V529 W677	L489-M532 HydrophobicContact CD1-CE 3.72Å; L489-M532 HydrophobicContact CD1-SD 4.32Å; L489-M532 HydrophobicContact CD2-CE 4.1Å; L489-M532 HydrophobicContact CD2-SD 4.03Å; L489-M532 HydrophobicContact CG-CE 4.45Å; L493-M532 HydrophobicContact CD1-SD 3.85Å; L528-M532 WeakPolarHBondContact O-CB 3.32Å; L528-M532 PolarHBondContact O-N 3.43Å; L528-M532 VanDerWaalsContact O-N 3.12Å; V529-M532 PolarHBondContact O-N 2.81Å; M532-W677 HydrophobicContact CB-CD2 4.39Å; M532-W677 HydrophobicContact CB-CE3 4.31Å; M532-W677 HydrophobicContact CB-CH2 3.66Å; M532-W677 HydrophobicContact CB-CZ2 3.74Å; M532-W677 HydrophobicContact CB-CZ3 3.96Å; M532-W677 HydrophobicContact CG-CE3 4.18Å; M532-W677 HydrophobicContact CG-CH2 3.7Å; M532-W677 HydrophobicContact CG-CZ2 4.31Å; M532-W677 HydrophobicContact CG-CZ3 3.63Å; M532-W677 HydrophobicContact SD-CH2 3.83Å; M532-W677 HydrophobicContact SD-CZ3 4.04Å
533	E	91	Very high	96.7	Very high	31 Å²	31	14.8 Å²	14.8	15%	0.145	7%	0.071	C	C	.	.	I	π-helix	trans	-81.7	-37.9	-168	-68.9	-73.6	132.4	0	0	112.8	S307 W309 V529	S307-E533 VanDerWaalsContact CB-O 3.29Å; S307-E533 WeakPolarHBondContact CB-O 3.43Å; S307-E533 PolarHBondContact OG-O 2.96Å; W309-E533 PolarHBondContact NE1-O 3.49Å; W309-E533 VanDerWaalsContact NE1-O 3.09Å; V529-E533 HydrophobicContact CG1-CG 4.07Å; V529-E533 WeakPolarHBondContact O-CB 3.06Å; V529-E533 WeakPolarHBondContact O-CG 3.24Å; V529-E533 PolarHBondContact O-N 3.16Å
534	I	96.1	Very high	96.5	Very high	12 Å²	12	14.1 Å²	14.1	6%	0.062	7%	0.066	C	C	.	.	I	π-helix	trans	-131.9	-53.6	-167.8	-66.2	179.9	0	0	0	112.7	S302 W309 V451 E455 S530 P537 L538 H575	S302-I534 WeakPolarHBondContact O-CD1 3.3Å; W309-I534 HydrophobicContact CZ2-CG1 4.39Å; V451-I534 HydrophobicContact CG1-CG2 4.05Å; E455-I534 HydrophobicContact CB-CB 4.32Å; E455-I534 HydrophobicContact CB-CD1 4.21Å; E455-I534 HydrophobicContact CG-CB 4.16Å; E455-I534 HydrophobicContact CG-CD1 4.42Å; E455-I534 HydrophobicContact CG-CG2 3.97Å; E455-I534 WeakPolarHBondContact OE2-CD1 3.27Å; S530-I534 PolarHBondContact O-N 3.22Å; I534-P537 WeakPolarHBondContact O-CD 3.33Å; I534-L538 WeakPolarHBondContact O-CB 3.35Å; I534-L538 PolarHBondContact O-N 2.87Å; I534-H575 VanDerWaalsContact CD1-CE1 3.43Å; I534-H575 WeakPolarHBondContact CD1-CE1 3.36Å
535	K	98.3	Very high	96.4	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.009	6%	0.059	C	C	.	.	I	π-helix	trans	-66.9	-48.6	-166.4	-58.6	171.6	168.9	178.7	0	112.5	V451 V452 Q453 E455 D527 S530 D531 L538 D539 Y669 M674	V451-K535 HydrophobicContact CB-CG 4.26Å; V451-K535 HydrophobicContact CG1-CB 4.48Å; V451-K535 HydrophobicContact CG1-CG 4.12Å; V451-K535 HydrophobicContact CG2-CG 4.28Å; V452-K535 WeakPolarHBondContact O-CE 3.24Å; Q453-K535 WeakPolarHBondContact O-CE 3.41Å; Q453-K535 PolarHBondContact O-NZ 3.07Å; E455-K535 HydrophobicContact CG-CG 4.16Å; D527-K535 IonicContact OD1-NZ 3.12Å; S530-K535 WeakPolarHBondContact O-CG 3.32Å; S530-K535 PolarHBondContact O-N 3.36Å; D531-K535 VanDerWaalsContact OD1-CD 3.3Å; D531-K535 WeakPolarHBondContact OD1-CD 3.44Å; K535-L538 PolarHBondContact O-N 3.19Å; K535-D539 VanDerWaalsContact O-CB 3.29Å; K535-D539 WeakPolarHBondContact O-CB 3.5Å; K535-D539 PolarHBondContact O-N 3.48Å; K535-Y669 HydrophobicContact CB-CE1 4.24Å; K535-Y669 HydrophobicContact CD-CE1 4.35Å; K535-Y669 WeakPolarHBondContact CD-OH 3.41Å; K535-Y669 VanDerWaalsContact CE-OH 3.3Å; K535-Y669 WeakPolarHBondContact CE-OH 3.25Å; K535-M674 HydrophobicContact CB-CE 4.14Å; K535-M674 HydrophobicContact CB-SD 4.15Å
536	S	97.9	Very high	96.3	Very high	5 Å²	5	12.7 Å²	12.7	4%	0.035	6%	0.063	C	C	.	.	H	α-helix	trans	-69	-42.3	-179.8	-175.2	0	0	0	0	113.9	D531 L538 D539 S540 M674 W677 Q678	D531-S536 WeakPolarHBondContact O-CB 3.44Å; D531-S536 PolarHBondContact O-N 3.03Å; S536-L538 VanDerWaalsContact C-N 3.34Å; S536-L538 PolarHBondContact O-N 3.47Å; S536-D539 PolarHBondContact O-N 3.15Å; S536-S540 WeakPolarHBondContact O-CB 3.33Å; S536-S540 PolarHBondContact O-N 2.77Å; S536-S540 PolarHBondContact O-OG 2.86Å; S536-M674 WeakPolarHBondContact CA-SD 3.39Å; S536-M674 PolarHBondContact OG-O 3.4Å; S536-W677 VanDerWaalsContact OG-CB 3.26Å; S536-W677 WeakPolarHBondContact OG-CB 3.14Å; S536-Q678 PolarHBondContact O-NE2 2.73Å
537	P	96.9	Very high	96.1	Very high	15 Å²	15	17.3 Å²	17.3	10%	0.097	9%	0.091	C	C	.	.	H	α-helix	trans	-56	-44.3	170.6	-29.3	36.7	0	0	0	113.3	A304 L306 S307 I534 S540 I541	A304-P537 HydrophobicContact CB-CB 3.98Å; L306-P537 HydrophobicContact CB-CB 4.03Å; S307-P537 WeakPolarHBondContact OG-CB 3.44Å; I534-P537 WeakPolarHBondContact O-CD 3.33Å; P537-S540 WeakPolarHBondContact O-CB 3.3Å; P537-S540 PolarHBondContact O-N 3.42Å; P537-I541 WeakPolarHBondContact O-CG1 3.28Å; P537-I541 PolarHBondContact O-N 3.19Å; P537-I541 VanDerWaalsContact O-N 3.13Å
538	L	98.1	Very high	95.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-73.8	-37.7	-179.2	-168.5	60.2	0	0	0	112.7	M300 A304 A449 G450 V451 I534 K535 S536 S540 I541 V542 F554	M300-L538 HydrophobicContact CB-CD1 4.13Å; M300-L538 HydrophobicContact CE-CD1 4.05Å; A304-L538 HydrophobicContact CB-CB 4.24Å; A304-L538 HydrophobicContact CB-CD1 4.1Å; A449-L538 HydrophobicContact CB-CD1 4.1Å; A449-L538 HydrophobicContact CB-CD2 4.39Å; A449-L538 HydrophobicContact CB-CG 4.3Å; G450-L538 WeakPolarHBondContact O-CD2 3.4Å; V451-L538 HydrophobicContact CG1-CD2 3.78Å; I534-L538 WeakPolarHBondContact O-CB 3.35Å; I534-L538 PolarHBondContact O-N 2.87Å; K535-L538 PolarHBondContact O-N 3.19Å; S536-L538 VanDerWaalsContact C-N 3.34Å; S536-L538 PolarHBondContact O-N 3.47Å; L538-S540 VanDerWaalsContact C-N 3.26Å; L538-S540 PolarHBondContact O-N 3.15Å; L538-I541 HydrophobicContact CD1-CB 4.32Å; L538-I541 HydrophobicContact CD1-CG1 4.43Å; L538-I541 WeakPolarHBondContact O-CB 3.27Å; L538-I541 PolarHBondContact O-N 3.13Å; L538-I541 VanDerWaalsContact O-N 3.11Å; L538-V542 WeakPolarHBondContact O-CG2 3.41Å; L538-V542 PolarHBondContact O-N 2.79Å; L538-F554 HydrophobicContact CD2-CE2 4.35Å; L538-F554 HydrophobicContact CG-CE2 4.37Å
539	D	97.5	Very high	95.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-41.2	171.2	176.5	-92.6	0	0	0	111.1	K535 S536 I541 V542 K543 M674 Q678	K535-D539 VanDerWaalsContact O-CB 3.29Å; K535-D539 WeakPolarHBondContact O-CB 3.5Å; K535-D539 PolarHBondContact O-N 3.48Å; S536-D539 PolarHBondContact O-N 3.15Å; D539-I541 PolarHBondContact O-N 2.86Å; D539-V542 PolarHBondContact O-N 3.42Å; D539-K543 WeakPolarHBondContact O-CG 3.29Å; D539-K543 PolarHBondContact O-N 3.34Å; D539-K543 WeakPolarHBondContact OD1-CD 3.41Å; D539-K543 WeakPolarHBondContact OD1-CE 3.49Å; D539-K543 IonicContact OD1-NZ 3.53Å; D539-K543 PolarHBondContact OD1-NZ 2.94Å; D539-K543 IonicContact OD2-NZ 2.82Å; D539-M674 HydrophobicContact CB-CG 4.27Å; D539-M674 HydrophobicContact CB-SD 3.95Å; D539-Q678 PolarHBondContact OD1-NE2 3.37Å
540	S	96	Very high	95	Very high	18 Å²	18	25.2 Å²	25.2	13%	0.126	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-43.8	173.7	-60.5	0	0	0	0	112	S536 P537 L538 V542 K543 Y544 Q678	S536-S540 WeakPolarHBondContact O-CB 3.33Å; S536-S540 PolarHBondContact O-N 2.77Å; S536-S540 PolarHBondContact O-OG 2.86Å; P537-S540 WeakPolarHBondContact O-CB 3.3Å; P537-S540 PolarHBondContact O-N 3.42Å; L538-S540 VanDerWaalsContact C-N 3.26Å; L538-S540 PolarHBondContact O-N 3.15Å; S540-V542 PolarHBondContact O-N 2.98Å; S540-K543 PolarHBondContact O-N 3.36Å; S540-Y544 WeakPolarHBondContact O-CD2 3.36Å; S540-Y544 PolarHBondContact O-N 3.41Å; S540-Q678 VanDerWaalsContact OG-CG 3.31Å; S540-Q678 WeakPolarHBondContact OG-CG 3.46Å; S540-Q678 PolarHBondContact OG-NE2 3.29Å
541	I	96.3	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.4	-52.1	174.6	-63.8	-47.5	0	0	0	110.7	M300 A304 L306 R437 L447 P537 L538 D539 K543 Y544 H545	M300-I541 HydrophobicContact CE-CG1 4.36Å; M300-I541 HydrophobicContact CE-CG2 4.32Å; M300-I541 HydrophobicContact SD-CG2 4.14Å; A304-I541 HydrophobicContact CB-CG1 3.85Å; L306-I541 HydrophobicContact CB-CD1 4.31Å; L306-I541 HydrophobicContact CD1-CD1 3.52Å; L306-I541 HydrophobicContact CD1-CG1 4.37Å; L306-I541 HydrophobicContact CG-CD1 3.51Å; L306-I541 HydrophobicContact CG-CG1 4.45Å; R437-I541 VanDerWaalsContact CD-CD1 3.47Å; L447-I541 HydrophobicContact CD2-CG2 4.02Å; P537-I541 WeakPolarHBondContact O-CG1 3.28Å; P537-I541 PolarHBondContact O-N 3.19Å; P537-I541 VanDerWaalsContact O-N 3.13Å; L538-I541 HydrophobicContact CD1-CB 4.32Å; L538-I541 HydrophobicContact CD1-CG1 4.43Å; L538-I541 WeakPolarHBondContact O-CB 3.27Å; L538-I541 PolarHBondContact O-N 3.13Å; L538-I541 VanDerWaalsContact O-N 3.11Å; D539-I541 PolarHBondContact O-N 2.86Å; I541-K543 VanDerWaalsContact C-N 3.33Å; I541-K543 PolarHBondContact O-N 3.08Å; I541-Y544 PolarHBondContact O-N 3.08Å; I541-H545 VanDerWaalsContact O-CB 3.3Å; I541-H545 WeakPolarHBondContact O-CB 3.49Å; I541-H545 PolarHBondContact O-N 3.08Å
542	V	97	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-44.2	-176.8	172.5	0	0	0	0	110.7	A449 L538 D539 S540 H545 S546 V552 F554 F649	A449-V542 HydrophobicContact CB-CG2 3.65Å; L538-V542 WeakPolarHBondContact O-CG2 3.41Å; L538-V542 PolarHBondContact O-N 2.79Å; D539-V542 PolarHBondContact O-N 3.42Å; S540-V542 PolarHBondContact O-N 2.98Å; V542-H545 PolarHBondContact O-N 3.28Å; V542-S546 VanDerWaalsContact O-CB 3.26Å; V542-S546 WeakPolarHBondContact O-CB 3.05Å; V542-S546 PolarHBondContact O-N 3.26Å; V542-S546 PolarHBondContact O-OG 3.19Å; V542-V552 HydrophobicContact CG1-CG1 3.8Å; V542-F554 HydrophobicContact CG1-CB 4.21Å; V542-F554 HydrophobicContact CG2-CD2 3.75Å; V542-F554 HydrophobicContact CG2-CE2 4.3Å; V542-F554 HydrophobicContact CG2-CG 4.47Å; V542-F649 HydrophobicContact CG1-CB 4.12Å; V542-F649 HydrophobicContact CG1-CD1 3.41Å; V542-F649 VanDerWaalsContact CG1-CD1 3.41Å; V542-F649 HydrophobicContact CG1-CD2 3.78Å; V542-F649 HydrophobicContact CG1-CE1 3.64Å; V542-F649 HydrophobicContact CG1-CE2 3.97Å; V542-F649 HydrophobicContact CG1-CG 3.48Å; V542-F649 VanDerWaalsContact CG1-CG 3.48Å; V542-F649 HydrophobicContact CG1-CZ 3.9Å
543	K	95.2	Very high	95.1	Very high	26 Å²	26	25.7 Å²	25.7	11%	0.113	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-53.4	174.3	-76.7	172.1	174.7	160.5	0	111.9	D539 S540 I541 H545 S546 F649 E654	D539-K543 WeakPolarHBondContact O-CG 3.29Å; D539-K543 PolarHBondContact O-N 3.34Å; D539-K543 WeakPolarHBondContact OD1-CD 3.41Å; D539-K543 WeakPolarHBondContact OD1-CE 3.49Å; D539-K543 IonicContact OD1-NZ 3.53Å; D539-K543 PolarHBondContact OD1-NZ 2.94Å; D539-K543 IonicContact OD2-NZ 2.82Å; S540-K543 PolarHBondContact O-N 3.36Å; I541-K543 VanDerWaalsContact C-N 3.33Å; I541-K543 PolarHBondContact O-N 3.08Å; K543-H545 VanDerWaalsContact C-N 3.28Å; K543-H545 PolarHBondContact O-N 3.37Å; K543-S546 PolarHBondContact O-N 2.94Å; K543-S546 PolarHBondContact O-OG 3.18Å; K543-F649 HydrophobicContact CG-CE1 4.12Å; K543-F649 HydrophobicContact CG-CZ 4.19Å; K543-E654 WeakPolarHBondContact CE-OE1 3.49Å
544	Y	92.6	Very high	95.5	Very high	95 Å²	95	24.2 Å²	24.2	37%	0.373	13%	0.128	S	C	.	.	H	α-helix	trans	-56.2	-43.2	176.4	-81.8	-60.1	0	0	0	112.1	L306 R437 S540 I541 Y548	L306-Y544 HydrophobicContact CD1-CE2 4.43Å; R437-Y544 HydrophobicContact CB-CD2 4.23Å; R437-Y544 HydrophobicContact CB-CE2 4.47Å; R437-Y544 HydrophobicContact CB-CG 4.34Å; S540-Y544 WeakPolarHBondContact O-CD2 3.36Å; S540-Y544 PolarHBondContact O-N 3.41Å; I541-Y544 PolarHBondContact O-N 3.08Å; Y544-Y548 VanDerWaalsContact O-CD2 3.31Å; Y544-Y548 WeakPolarHBondContact O-CD2 3.26Å
545	H	95.3	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-72.3	-37.1	-174.5	-143.6	91.2	0	0	0	112.4	F442 A443 V445 L447 I541 V542 K543 V547 Y548 S549 V552	F442-H545 AromaticContact CD2-CE1 3.81Å; F442-H545 AromaticContact CD2-ND1 3.56Å; F442-H545 HydrophobicContact CE2-CB 4.45Å; F442-H545 AromaticContact CE2-CE1 3.85Å; F442-H545 AromaticContact CE2-CG 3.95Å; F442-H545 AromaticContact CE2-ND1 3.32Å; F442-H545 VanDerWaalsContact CE2-ND1 3.32Å; F442-H545 WeakPolarHBondContact CE2-ND1 3.34Å; A443-H545 PolarHBondContact O-CE1 2.94Å; V445-H545 PolarHBondContact O-CD2 3.48Å; V445-H545 PolarHBondContact O-NE2 3.49Å; L447-H545 HydrophobicContact CD2-CB 3.71Å; I541-H545 VanDerWaalsContact O-CB 3.3Å; I541-H545 WeakPolarHBondContact O-CB 3.49Å; I541-H545 PolarHBondContact O-N 3.08Å; V542-H545 PolarHBondContact O-N 3.28Å; K543-H545 VanDerWaalsContact C-N 3.28Å; K543-H545 PolarHBondContact O-N 3.37Å; H545-V547 PolarHBondContact O-N 2.72Å; H545-Y548 PolarHBondContact O-N 2.97Å; H545-Y548 VanDerWaalsContact O-N 3.1Å; H545-S549 PolarHBondContact O-N 2.96Å; H545-V552 HydrophobicContact CB-CG2 4.41Å
546	S	95.4	Very high	95.6	Very high	15 Å²	15	24.3 Å²	24.3	11%	0.105	13%	0.128	C	C	.	.	H	α-helix	trans	-64.2	-22.1	-179.2	72.5	0	0	0	0	114.3	V542 K543 Y548	V542-S546 VanDerWaalsContact O-CB 3.26Å; V542-S546 WeakPolarHBondContact O-CB 3.05Å; V542-S546 PolarHBondContact O-N 3.26Å; V542-S546 PolarHBondContact O-OG 3.19Å; K543-S546 PolarHBondContact O-N 2.94Å; K543-S546 PolarHBondContact O-OG 3.18Å; S546-Y548 VanDerWaalsContact C-N 3.29Å; S546-Y548 PolarHBondContact O-N 3.44Å
547	V	93.4	Very high	95.7	Very high	100 Å²	100	24.1 Å²	24.1	61%	0.606	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-33	174.4	175.2	0	0	0	0	111.6	H545	H545-V547 PolarHBondContact O-N 2.72Å
548	Y	90.4	Very high	95.7	Very high	103 Å²	103	24.1 Å²	24.1	40%	0.404	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-32.1	-170.9	-59.2	-84.6	0	0	0	113.7	F442 K444 Y544 H545 S546	F442-Y548 HydrophobicContact CE1-CD2 4.12Å; F442-Y548 AromaticContact CE1-CE2 3.94Å; F442-Y548 HydrophobicContact CE1-CE2 3.94Å; F442-Y548 HydrophobicContact CE2-CD2 4.16Å; F442-Y548 AromaticContact CZ-CD2 3.41Å; F442-Y548 HydrophobicContact CZ-CD2 3.41Å; F442-Y548 VanDerWaalsContact CZ-CD2 3.41Å; F442-Y548 AromaticContact CZ-CE2 3.7Å; F442-Y548 HydrophobicContact CZ-CE2 3.7Å; F442-Y548 HydrophobicContact CZ-CG 4.37Å; K444-Y548 HydrophobicContact CD-CD1 4.33Å; K444-Y548 HydrophobicContact CD-CD2 4.3Å; K444-Y548 HydrophobicContact CD-CG 3.84Å; K444-Y548 VanDerWaalsContact NZ-CD2 3.32Å; Y544-Y548 VanDerWaalsContact O-CD2 3.31Å; Y544-Y548 WeakPolarHBondContact O-CD2 3.26Å; H545-Y548 PolarHBondContact O-N 2.97Å; H545-Y548 VanDerWaalsContact O-N 3.1Å; S546-Y548 VanDerWaalsContact C-N 3.29Å; S546-Y548 PolarHBondContact O-N 3.44Å
549	S	90.2	Very high	95.7	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.035	13%	0.13	C	C	.	.			trans	-100.1	128.5	177.6	179.3	0	0	0	0	110.2	V445 H545 S551	V445-S549 PolarHBondContact O-OG 3.16Å; H545-S549 PolarHBondContact O-N 2.96Å; S549-S551 PolarHBondContact O-N 2.93Å; S549-S551 PolarHBondContact OG-N 3.15Å; S549-S551 PolarHBondContact OG-O 2.82Å; S549-S551 VanDerWaalsContact OG-O 3.07Å
550	P	87	Confident	95.5	Very high	90 Å²	90	26.2 Å²	26.2	58%	0.584	14%	0.14	S	C	*	.	S	Bend	trans	-73.6	-15.2	175.6	31.3	-35.4	0	0	0	113.1	N648	P550-N648 VanDerWaalsContact O-CG 3.3Å; P550-N648 PolarHBondContact O-ND2 2.91Å; P550-N648 PolarHBondContact O-OD1 2.74Å
551	S	96.3	Very high	95.3	Very high	16 Å²	16	25.8 Å²	25.8	11%	0.112	14%	0.137	C	C	.	.			trans	-114	95	-179.7	170.1	0	0	0	0	109.2	P446 L447 S549 Y553 G634	P446-S551 VanDerWaalsContact CA-O 3.26Å; P446-S551 WeakPolarHBondContact CA-O 3.45Å; L447-S551 PolarHBondContact N-O 2.92Å; S549-S551 PolarHBondContact O-N 2.93Å; S549-S551 PolarHBondContact OG-N 3.15Å; S549-S551 PolarHBondContact OG-O 2.82Å; S549-S551 VanDerWaalsContact OG-O 3.07Å; S551-Y553 WeakPolarHBondContact OG-CE2 3.34Å; S551-G634 PolarHBondContact OG-O 3.44Å
552	V	98.3	Very high	95	Very high	1 Å²	1	30 Å²	30	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.7	175	-178.4	0	0	0	0	107.5	L447 V542 H545 N648 F649	L447-V552 HydrophobicContact CB-CG1 4.38Å; L447-V552 HydrophobicContact CB-CG2 4.35Å; L447-V552 HydrophobicContact CD2-CG1 4.34Å; L447-V552 CarbonylContact O-C 3.55Å; L447-V552 VanDerWaalsContact O-CA 3.24Å; L447-V552 WeakPolarHBondContact O-CA 3.41Å; V542-V552 HydrophobicContact CG1-CG1 3.8Å; H545-V552 HydrophobicContact CB-CG2 4.41Å; V552-N648 CarbonylContact O-C 3.16Å; V552-N648 WeakPolarHBondContact O-CA 3.27Å; V552-F649 HydrophobicContact CG1-CB 4.24Å; V552-F649 PolarHBondContact O-N 2.62Å
553	Y	98.6	Very high	94.6	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.02	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.5	-179.1	-62.8	-85.9	0	0	0	109.8	L447 A449 S551 F630 N635 P636 W646 P647 N648	L447-Y553 PolarHBondContact O-N 3.29Å; A449-Y553 PolarHBondContact N-O 2.96Å; S551-Y553 WeakPolarHBondContact OG-CE2 3.34Å; Y553-F630 HydrophobicContact CD2-CD2 4.1Å; Y553-F630 HydrophobicContact CD2-CE2 4.01Å; Y553-F630 HydrophobicContact CE2-CD2 4.35Å; Y553-F630 HydrophobicContact CE2-CE2 4.36Å; Y553-N635 PolarHBondContact OH-OD1 3.49Å; Y553-P636 HydrophobicContact CD1-CG 4.02Å; Y553-P636 HydrophobicContact CD2-CG 3.93Å; Y553-P636 HydrophobicContact CE1-CG 4.29Å; Y553-P636 HydrophobicContact CE2-CG 4.21Å; Y553-P636 HydrophobicContact CG-CG 3.82Å; Y553-W646 HydrophobicContact CD1-CB 4.48Å; Y553-W646 AromaticContact CD1-CD1 3.71Å; Y553-W646 HydrophobicContact CD1-CD2 4.12Å; Y553-W646 AromaticContact CD1-CG 3.87Å; Y553-W646 HydrophobicContact CD1-CG 3.87Å; Y553-W646 AromaticContact CD1-NE1 3.85Å; Y553-W646 HydrophobicContact CE1-CG 4.39Å; Y553-W646 WeakPolarHBondContact CE1-O 3.25Å; Y553-P647 WeakPolarHBondContact CD1-O 3.36Å; Y553-N648 WeakPolarHBondContact CE1-OD1 3.49Å; Y553-N648 WeakPolarHBondContact CE2-OD1 3.42Å; Y553-N648 PolarHBondContact OH-OD1 3.46Å; Y553-N648 VanDerWaalsContact OH-OD1 3.06Å
554	F	98.7	Very high	94.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.9	177.2	-168.4	-118.8	0	0	0	111.4	A449 V451 L538 V542 W646 F649 Y656 L657 Y669	A449-F554 HydrophobicContact CB-CD2 4.34Å; A449-F554 CarbonylContact O-C 3.49Å; A449-F554 WeakPolarHBondContact O-CA 3.46Å; A449-F554 WeakPolarHBondContact O-CD2 3.29Å; V451-F554 HydrophobicContact CG1-CE2 4.44Å; V451-F554 HydrophobicContact CG1-CZ 4.23Å; V451-F554 HydrophobicContact CG2-CZ 4.05Å; L538-F554 HydrophobicContact CD2-CE2 4.35Å; L538-F554 HydrophobicContact CG-CE2 4.37Å; V542-F554 HydrophobicContact CG1-CB 4.21Å; V542-F554 HydrophobicContact CG2-CD2 3.75Å; V542-F554 HydrophobicContact CG2-CE2 4.3Å; V542-F554 HydrophobicContact CG2-CG 4.47Å; F554-W646 VanDerWaalsContact O-CZ2 3.24Å; F554-W646 WeakPolarHBondContact O-CZ2 3.44Å; F554-W646 PolarHBondContact O-NE1 3.18Å; F554-F649 HydrophobicContact CB-CD2 3.75Å; F554-F649 HydrophobicContact CB-CE2 4.39Å; F554-F649 HydrophobicContact CB-CG 4.43Å; F554-Y656 HydrophobicContact CD1-CG 4.27Å; F554-Y656 CarbonylContact O-C 3.43Å; F554-Y656 WeakPolarHBondContact O-CA 3.26Å; F554-Y656 VanDerWaalsContact O-CB 3.26Å; F554-Y656 WeakPolarHBondContact O-CB 3.16Å; F554-L657 PolarHBondContact O-N 3.26Å; F554-Y669 HydrophobicContact CD1-CG 4.42Å; F554-Y669 AromaticContact CE1-CD1 3.72Å; F554-Y669 HydrophobicContact CE1-CD1 3.72Å; F554-Y669 HydrophobicContact CE1-CD2 4.04Å; F554-Y669 HydrophobicContact CE1-CE1 4.23Å; F554-Y669 AromaticContact CE1-CG 3.61Å; F554-Y669 HydrophobicContact CE1-CG 3.61Å; F554-Y669 HydrophobicContact CZ-CD1 4.21Å; F554-Y669 HydrophobicContact CZ-CE1 4.4Å
555	Y	98.8	Very high	93.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	158.2	174.8	74.7	-91.6	0	0	0	113.5	M301 L448 A449 G450 V451 F557 W627 W646 L657 I659	M301-Y555 WeakPolarHBondContact CG-OH 3.36Å; L448-Y555 HydrophobicContact CD1-CD1 4.28Å; A449-Y555 VanDerWaalsContact O-CD1 3.24Å; A449-Y555 WeakPolarHBondContact O-CD1 3.47Å; A449-Y555 PolarHBondContact O-N 3.5Å; G450-Y555 CarbonylContact C-O 3.53Å; G450-Y555 VanDerWaalsContact CA-CE1 3.46Å; G450-Y555 WeakPolarHBondContact CA-O 3.49Å; V451-Y555 PolarHBondContact N-O 3.19Å; Y555-F557 HydrophobicContact CD2-CB 4.26Å; Y555-F557 HydrophobicContact CE2-CB 4.05Å; Y555-W627 AromaticContact CD1-CH2 3.94Å; Y555-W627 HydrophobicContact CD1-CH2 3.94Å; Y555-W627 HydrophobicContact CD1-CZ2 4.34Å; Y555-W627 AromaticContact CE1-CH2 3.53Å; Y555-W627 HydrophobicContact CE1-CH2 3.53Å; Y555-W627 AromaticContact CE1-CZ2 3.53Å; Y555-W627 HydrophobicContact CE1-CZ2 3.53Å; Y555-W627 HydrophobicContact CE2-CH2 4.29Å; Y555-W627 HydrophobicContact CG-CH2 4.48Å; Y555-W627 AromaticContact CZ-CH2 3.74Å; Y555-W627 AromaticContact CZ-CZ2 3.74Å; Y555-W646 HydrophobicContact CD1-CH2 4.08Å; Y555-W646 HydrophobicContact CD1-CZ2 4.5Å; Y555-W646 HydrophobicContact CG-CH2 4.28Å; Y555-L657 CarbonylContact C-O 3.05Å; Y555-L657 WeakPolarHBondContact CA-O 3.29Å; Y555-L657 VanDerWaalsContact CB-O 3.27Å; Y555-L657 WeakPolarHBondContact CB-O 3.17Å; Y555-I659 HydrophobicContact CD2-CD1 3.74Å; Y555-I659 HydrophobicContact CE2-CD1 4.49Å; Y555-I659 HydrophobicContact CG-CD1 3.93Å
556	E	98.7	Very high	93.2	Very high	16 Å²	16	37.2 Å²	37.2	8%	0.075	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.4	162.9	179.3	-177.2	-119.7	0	0	108.7	V451 Y656 L657 H658 I659 Y669	V451-E556 HydrophobicContact CG2-CB 4.32Å; V451-E556 HydrophobicContact CG2-CG 4.32Å; V451-E556 CarbonylContact O-C 3.59Å; V451-E556 VanDerWaalsContact O-CA 3.24Å; V451-E556 WeakPolarHBondContact O-CA 3.31Å; E556-Y656 HydrophobicContact CB-CD2 4.3Å; E556-Y656 HydrophobicContact CB-CE2 4.11Å; E556-L657 PolarHBondContact N-O 2.7Å; E556-H658 CarbonylContact O-C 3.53Å; E556-H658 WeakPolarHBondContact O-CA 3.25Å; E556-H658 IonicContact OE2-CE1 3.36Å; E556-H658 PolarHBondContact OE2-CE1 2.95Å; E556-H658 IonicContact OE2-ND1 3.71Å; E556-H658 PolarHBondContact OE2-ND1 3.3Å; E556-I659 PolarHBondContact O-N 3.34Å; E556-Y669 HydrophobicContact CB-CE2 4.01Å; E556-Y669 HydrophobicContact CG-CE2 4.19Å; E556-Y669 VanDerWaalsContact OE1-CE2 3.27Å; E556-Y669 WeakPolarHBondContact OE1-CE2 3.48Å; E556-Y669 PolarHBondContact OE1-OH 3.28Å
557	F	98.7	Very high	92.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.9	175.4	-173.7	-92.7	0	0	0	110.9	V451 V452 Q453 Y555 Y559 I573 I577 E578 F581 I619 L623 I659	V451-F557 PolarHBondContact O-N 3.04Å; V452-F557 CarbonylContact C-O 3.36Å; V452-F557 WeakPolarHBondContact CA-O 3.39Å; V452-F557 HydrophobicContact CG1-CB 4.19Å; V452-F557 HydrophobicContact CG1-CD1 4.37Å; Q453-F557 PolarHBondContact N-O 3.41Å; Y555-F557 HydrophobicContact CD2-CB 4.26Å; Y555-F557 HydrophobicContact CE2-CB 4.05Å; F557-Y559 WeakPolarHBondContact CE1-O 3.45Å; F557-Y559 HydrophobicContact CZ-CD1 4.19Å; F557-Y559 HydrophobicContact CZ-CG 4.47Å; F557-I573 HydrophobicContact CD1-CG2 4.21Å; F557-I577 HydrophobicContact CD1-CG2 3.96Å; F557-I577 HydrophobicContact CE1-CG2 3.91Å; F557-E578 HydrophobicContact CB-CB 4.36Å; F557-E578 HydrophobicContact CD1-CB 3.65Å; F557-E578 HydrophobicContact CD2-CB 3.83Å; F557-E578 HydrophobicContact CE1-CB 3.73Å; F557-E578 HydrophobicContact CE2-CB 3.93Å; F557-E578 HydrophobicContact CG-CB 3.69Å; F557-E578 HydrophobicContact CZ-CB 3.87Å; F557-F581 AromaticContact CZ-CD2 3.98Å; F557-F581 HydrophobicContact CZ-CD2 3.98Å; F557-F581 HydrophobicContact CZ-CE2 4.28Å; F557-I619 HydrophobicContact CE2-CG2 3.94Å; F557-I619 HydrophobicContact CZ-CG2 4.09Å; F557-L623 HydrophobicContact CD2-CD2 4.46Å; F557-L623 HydrophobicContact CE2-CD1 3.93Å; F557-L623 HydrophobicContact CE2-CD2 4.4Å; F557-I659 HydrophobicContact CD2-CB 3.94Å; F557-I659 HydrophobicContact CD2-CG2 3.67Å; F557-I659 HydrophobicContact CE2-CG2 3.94Å
558	S	97.9	Very high	92.7	Very high	16 Å²	16	35.5 Å²	35.5	11%	0.112	20%	0.195	C	C	.	.			trans	-141.3	27.9	-170.9	-60.6	0	0	0	0	112.9	Q453 H658 I659	Q453-S558 WeakPolarHBondContact CB-OG 3.35Å; S558-H658 PolarHBondContact OG-CE1 3.35Å; S558-I659 PolarHBondContact N-O 3.21Å
559	Y	97.1	Very high	92.7	Very high	14 Å²	14	35.1 Å²	35.1	6%	0.055	21%	0.205	C	C	.	.			trans	-108.9	142.1	178.2	178.1	-104.5	0	0	0	111.9	F557 F581 Y615 D616 I619 L661	F557-Y559 WeakPolarHBondContact CE1-O 3.45Å; F557-Y559 HydrophobicContact CZ-CD1 4.19Å; F557-Y559 HydrophobicContact CZ-CG 4.47Å; Y559-F581 HydrophobicContact CD1-CE1 4.26Å; Y559-F581 HydrophobicContact CD1-CE2 4.14Å; Y559-F581 AromaticContact CD1-CZ 3.85Å; Y559-F581 HydrophobicContact CD1-CZ 3.85Å; Y559-F581 AromaticContact CE1-CE1 3.77Å; Y559-F581 HydrophobicContact CE1-CE1 3.77Å; Y559-F581 HydrophobicContact CE1-CE2 4.37Å; Y559-F581 AromaticContact CE1-CZ 3.62Å; Y559-F581 HydrophobicContact CE1-CZ 3.62Å; Y559-Y615 VanDerWaalsContact OH-CB 3.29Å; Y559-Y615 WeakPolarHBondContact OH-CB 3.02Å; Y559-D616 WeakPolarHBondContact CE1-OD1 3.48Å; Y559-D616 PolarHBondContact OH-OD1 3.31Å; Y559-I619 HydrophobicContact CD1-CB 4.09Å; Y559-I619 HydrophobicContact CD1-CD1 4.48Å; Y559-I619 HydrophobicContact CD1-CG1 3.69Å; Y559-I619 HydrophobicContact CD1-CG2 3.87Å; Y559-I619 HydrophobicContact CD2-CD1 4.43Å; Y559-I619 HydrophobicContact CD2-CG1 4.12Å; Y559-I619 HydrophobicContact CE1-CB 4.13Å; Y559-I619 HydrophobicContact CE1-CG1 3.75Å; Y559-I619 HydrophobicContact CE1-CG2 4.34Å; Y559-I619 HydrophobicContact CE2-CG1 4.21Å; Y559-I619 HydrophobicContact CG-CD1 4.21Å; Y559-I619 HydrophobicContact CG-CG1 3.86Å; Y559-I619 HydrophobicContact CG-CG2 4.46Å; Y559-L661 HydrophobicContact CD2-CD2 4.35Å; Y559-L661 HydrophobicContact CD2-CG 3.91Å; Y559-L661 HydrophobicContact CE2-CD1 3.95Å; Y559-L661 HydrophobicContact CE2-CD2 3.82Å; Y559-L661 HydrophobicContact CE2-CG 3.63Å
560	S	93.9	Very high	92.6	Very high	30 Å²	30	37.2 Å²	37.2	21%	0.21	21%	0.214	C	C	.	.			trans	-129.6	143.1	165.7	178.1	0	0	0	0	109.4	A567	S560-A567 WeakPolarHBondContact OG-CB 3.26Å
561	S	92.4	Very high	92.9	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.07	19%	0.191	C	C	.	.			trans	-61.6	139.6	171.5	177.2	0	0	0	0	109.7	N563 D564 D616	S561-N563 PolarHBondContact O-N 3.07Å; S561-N563 VanDerWaalsContact O-N 3.13Å; S561-N563 PolarHBondContact OG-N 2.98Å; S561-D564 PolarHBondContact O-N 3.41Å; S561-D616 WeakPolarHBondContact CA-OD1 3.45Å; S561-D616 WeakPolarHBondContact CB-OD1 3.23Å; S561-D616 WeakPolarHBondContact CB-OD2 3.48Å; S561-D616 VanDerWaalsContact OG-CG 3.3Å; S561-D616 PolarHBondContact OG-OD1 2.75Å; S561-D616 PolarHBondContact OG-OD2 2.93Å
562	P	89.2	Confident	92.8	Very high	89 Å²	89	33.9 Å²	33.9	58%	0.578	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.4	172	-23.3	33.2	0	0	0	113.8	V612	P562-V612 HydrophobicContact CB-CG2 4.32Å; P562-V612 HydrophobicContact CG-CG2 4.34Å
563	N	88.2	Confident	92.6	Very high	78 Å²	78	34.7 Å²	34.7	42%	0.417	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	4.3	178.9	-75.6	-10.3	0	0	0	113.2	S561 K565 N610 V612	S561-N563 PolarHBondContact O-N 3.07Å; S561-N563 VanDerWaalsContact O-N 3.13Å; S561-N563 PolarHBondContact OG-N 2.98Å; N563-K565 PolarHBondContact O-N 2.97Å; N563-K565 VanDerWaalsContact O-N 3.14Å; N563-N610 WeakPolarHBondContact CB-O 3.49Å; N563-N610 PolarHBondContact ND2-O 2.88Å; N563-V612 HydrophobicContact CB-CG2 4.01Å; N563-V612 VanDerWaalsContact CG-CG2 3.49Å; N563-V612 WeakPolarHBondContact ND2-CG2 3.49Å
564	D	87.7	Confident	92.5	Very high	24 Å²	24	34.6 Å²	34.6	13%	0.128	20%	0.198	C	C	.	.			trans	-72.5	107.5	174.4	-165.7	-26.5	0	0	0	109.9	S561 Q566 A567 Y574 S825	S561-D564 PolarHBondContact O-N 3.41Å; D564-Q566 VanDerWaalsContact C-N 3.29Å; D564-Q566 PolarHBondContact O-N 3.43Å; D564-Q566 WeakPolarHBondContact OD1-CB 3.33Å; D564-Q566 PolarHBondContact OD1-N 3.4Å; D564-A567 HydrophobicContact CB-CB 4.18Å; D564-A567 PolarHBondContact OD1-N 3.39Å; D564-Y574 PolarHBondContact OD2-OH 3.16Å; D564-S825 VanDerWaalsContact OD1-CB 3.26Å; D564-S825 WeakPolarHBondContact OD1-CB 3.15Å; D564-S825 PolarHBondContact OD1-OG 3.01Å; D564-S825 PolarHBondContact OD2-OG 3.47Å; D564-S825 VanDerWaalsContact OD2-OG 3.14Å
565	K	83.6	Confident	92.3	Very high	158 Å²	158	35.4 Å²	35.4	69%	0.687	20%	0.202	S	C	*	.	S	Bend	trans	-75.2	-15.4	179.7	-62.6	-177.1	-179.7	178.8	0	113.7	N563	N563-K565 PolarHBondContact O-N 2.97Å; N563-K565 VanDerWaalsContact O-N 3.14Å
566	Q	83	Confident	92	Very high	11 Å²	11	35.4 Å²	35.4	5%	0.051	20%	0.202	C	C	.	.	S	Bend	trans	-83.6	-27.8	177.3	-179.4	175.4	-12.7	0	0	112.1	D564 T568 I571 Y574 T824 S825	D564-Q566 VanDerWaalsContact C-N 3.29Å; D564-Q566 PolarHBondContact O-N 3.43Å; D564-Q566 WeakPolarHBondContact OD1-CB 3.33Å; D564-Q566 PolarHBondContact OD1-N 3.4Å; Q566-T568 PolarHBondContact O-N 3.02Å; Q566-I571 HydrophobicContact CG-CG2 4.27Å; Q566-I571 WeakPolarHBondContact O-CB 3.38Å; Q566-I571 WeakPolarHBondContact O-CG2 3.25Å; Q566-Y574 HydrophobicContact CB-CE1 4.08Å; Q566-Y574 HydrophobicContact CG-CD1 4.27Å; Q566-Y574 HydrophobicContact CG-CE1 3.92Å; Q566-T824 HydrophobicContact CG-CG2 4.35Å; Q566-S825 VanDerWaalsContact CB-CB 3.47Å
567	A	87.4	Confident	91.8	Very high	28 Å²	28	34.7 Å²	34.7	23%	0.231	20%	0.199	C	C	.	.			trans	-74.3	56.4	179.3	0	0	0	0	0	112.1	S560 D564 Y574	S560-A567 WeakPolarHBondContact OG-CB 3.26Å; D564-A567 HydrophobicContact CB-CB 4.18Å; D564-A567 PolarHBondContact OD1-N 3.39Å; A567-Y574 HydrophobicContact CB-CE1 4.34Å
568	T	90.7	Very high	91.6	Very high	52 Å²	52	34.8 Å²	34.8	32%	0.319	20%	0.199	S	C	.	.			trans	-68.2	165.8	171.9	77.4	0	0	0	0	110.3	Q566 E570 I571 G572	Q566-T568 PolarHBondContact O-N 3.02Å; T568-E570 WeakPolarHBondContact CB-OE2 3.37Å; T568-E570 PolarHBondContact O-N 3.13Å; T568-E570 VanDerWaalsContact O-N 3.17Å; T568-E570 PolarHBondContact OG1-OE2 3.19Å; T568-I571 PolarHBondContact O-N 2.91Å; T568-I571 WeakPolarHBondContact OG1-CG1 3.16Å; T568-G572 PolarHBondContact O-N 3.03Å
569	P	89.5	Confident	91.5	Very high	94 Å²	94	34 Å²	34	61%	0.61	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.2	177	-28.8	37.7	0	0	0	114.8	I474	I474-P569 HydrophobicContact CD1-CB 3.85Å
570	E	89.7	Confident	91.4	Very high	49 Å²	49	33.7 Å²	33.7	23%	0.229	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-35.8	176	-64.2	65.8	-153.4	0	0	112.1	I474 W522 T568	I474-E570 HydrophobicContact CD1-CG 4.32Å; I474-E570 HydrophobicContact CG1-CG 4.02Å; W522-E570 HydrophobicContact CZ2-CB 4.1Å; W522-E570 WeakPolarHBondContact CZ2-O 3.34Å; W522-E570 PolarHBondContact NE1-O 2.89Å; T568-E570 WeakPolarHBondContact CB-OE2 3.37Å; T568-E570 PolarHBondContact O-N 3.13Å; T568-E570 VanDerWaalsContact O-N 3.17Å; T568-E570 PolarHBondContact OG1-OE2 3.19Å
571	I	92.2	Very high	91.4	Very high	18 Å²	18	32.6 Å²	32.6	9%	0.092	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-37.4	-169.8	-58.9	-67.5	0	0	0	111.6	S457 L458 Q566 T568 Y574	S457-I571 WeakPolarHBondContact CB-O 3.49Å; S457-I571 PolarHBondContact OG-O 3.25Å; L458-I571 HydrophobicContact CD2-CD1 3.66Å; L458-I571 HydrophobicContact CD2-CG2 3.86Å; Q566-I571 HydrophobicContact CG-CG2 4.27Å; Q566-I571 WeakPolarHBondContact O-CB 3.38Å; Q566-I571 WeakPolarHBondContact O-CG2 3.25Å; T568-I571 PolarHBondContact O-N 2.91Å; T568-I571 WeakPolarHBondContact OG1-CG1 3.16Å; I571-Y574 HydrophobicContact CG2-CD1 3.63Å; I571-Y574 HydrophobicContact CG2-CG 3.86Å
572	G	93.9	Very high	91.6	Very high	19 Å²	19	32.1 Å²	32.1	20%	0.196	18%	0.181	C	C	.	.			trans	60.1	-142	178.3	0	0	0	0	0	113.5	D454 T568 Y574	D454-G572 WeakPolarHBondContact OD2-CA 3.47Å; T568-G572 PolarHBondContact O-N 3.03Å; G572-Y574 PolarHBondContact O-N 3.37Å
573	I	95.7	Very high	91.9	Very high	18 Å²	18	27.9 Å²	27.9	9%	0.092	15%	0.154	C	C	.	.	S	Bend	trans	-88.4	76.8	178.6	-46.9	-55.8	0	0	0	109.1	V452 Q453 D454 F557 I577	V452-I573 HydrophobicContact CB-CG2 4.45Å; Q453-I573 HydrophobicContact CB-CB 4.07Å; Q453-I573 HydrophobicContact CB-CG1 4.36Å; Q453-I573 HydrophobicContact CB-CG2 4.44Å; D454-I573 CarbonylContact C-O 3.55Å; D454-I573 WeakPolarHBondContact CA-O 3.37Å; D454-I573 WeakPolarHBondContact CB-O 3.25Å; D454-I573 PolarHBondContact N-O 3.16Å; D454-I573 PolarHBondContact OD2-N 3.05Å; F557-I573 HydrophobicContact CD1-CG2 4.21Å; I573-I577 HydrophobicContact CG2-CD1 4.43Å; I573-I577 HydrophobicContact CG2-CG2 3.62Å
574	Y	95.1	Very high	92.1	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.008	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-71.3	162.4	-170.4	60.5	-87	0	0	0	114.5	L458 D564 Q566 A567 I571 G572 G576 I577 S825	L458-Y574 HydrophobicContact CD1-CD2 3.86Å; L458-Y574 HydrophobicContact CD1-CG 4.2Å; D564-Y574 PolarHBondContact OD2-OH 3.16Å; Q566-Y574 HydrophobicContact CB-CE1 4.08Å; Q566-Y574 HydrophobicContact CG-CD1 4.27Å; Q566-Y574 HydrophobicContact CG-CE1 3.92Å; A567-Y574 HydrophobicContact CB-CE1 4.34Å; I571-Y574 HydrophobicContact CG2-CD1 3.63Å; I571-Y574 HydrophobicContact CG2-CG 3.86Å; G572-Y574 PolarHBondContact O-N 3.37Å; Y574-G576 PolarHBondContact O-N 3.24Å; Y574-I577 HydrophobicContact CD1-CB 4.39Å; Y574-I577 HydrophobicContact CD1-CD1 3.86Å; Y574-I577 HydrophobicContact CD1-CG1 4.37Å; Y574-I577 HydrophobicContact CD2-CB 4.23Å; Y574-I577 HydrophobicContact CE1-CB 4.17Å; Y574-I577 HydrophobicContact CE1-CD1 3.5Å; Y574-I577 VanDerWaalsContact CE1-CD1 3.5Å; Y574-I577 HydrophobicContact CE1-CG1 3.8Å; Y574-I577 HydrophobicContact CE2-CB 4Å; Y574-I577 HydrophobicContact CE2-CG1 4.33Å; Y574-I577 HydrophobicContact CG-CB 4.4Å; Y574-I577 VanDerWaalsContact O-CB 3.22Å; Y574-I577 WeakPolarHBondContact O-CB 3.39Å; Y574-I577 WeakPolarHBondContact O-CG2 3.12Å; Y574-I577 PolarHBondContact O-N 2.98Å; Y574-S825 WeakPolarHBondContact OH-CB 3.42Å; Y574-S825 PolarHBondContact OH-OG 3.37Å; Y574-S825 VanDerWaalsContact OH-OG 3.12Å
575	H	94.6	Very high	92.3	Very high	17 Å²	17	23.1 Å²	23.1	8%	0.079	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	126	176.3	-171	76.4	0	0	0	113.4	E273 S274 S302 E455 I534 I577 Y829	E273-H575 IonicContact OE1-CD2 2.99Å; E273-H575 IonicContact OE1-CE1 2.65Å; E273-H575 IonicContact OE1-NE2 3.73Å; E273-H575 PolarHBondContact OE1-NE2 3.12Å; S274-H575 WeakPolarHBondContact CB-NE2 3.32Å; S274-H575 PolarHBondContact OG-NE2 2.85Å; S302-H575 PolarHBondContact O-CE1 3.15Å; S302-H575 VanDerWaalsContact O-CE1 3.28Å; E455-H575 IonicContact OE2-CE1 3.89Å; E455-H575 IonicContact OE2-CG 3.86Å; E455-H575 IonicContact OE2-ND1 3.25Å; E455-H575 PolarHBondContact OE2-ND1 2.89Å; I534-H575 VanDerWaalsContact CD1-CE1 3.43Å; I534-H575 WeakPolarHBondContact CD1-CE1 3.36Å; H575-I577 VanDerWaalsContact C-N 3.34Å; H575-Y829 AromaticContact CD2-CD2 3.75Å
576	G	92.7	Very high	92.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	2.3	176.8	0	0	0	0	0	115.9	Y574 E578 L579	Y574-G576 PolarHBondContact O-N 3.24Å; G576-E578 VanDerWaalsContact C-OE2 3.22Å; G576-E578 WeakPolarHBondContact CA-OE2 3.21Å; G576-E578 PolarHBondContact O-N 2.97Å; G576-L579 PolarHBondContact O-N 3.12Å
577	I	93.9	Very high	92.8	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.5	180	-166	174.9	0	0	0	113.3	V452 F557 I573 Y574 H575 P580 F581	V452-I577 HydrophobicContact CG1-CG2 4.13Å; F557-I577 HydrophobicContact CD1-CG2 3.96Å; F557-I577 HydrophobicContact CE1-CG2 3.91Å; I573-I577 HydrophobicContact CG2-CD1 4.43Å; I573-I577 HydrophobicContact CG2-CG2 3.62Å; Y574-I577 HydrophobicContact CD1-CB 4.39Å; Y574-I577 HydrophobicContact CD1-CD1 3.86Å; Y574-I577 HydrophobicContact CD1-CG1 4.37Å; Y574-I577 HydrophobicContact CD2-CB 4.23Å; Y574-I577 HydrophobicContact CE1-CB 4.17Å; Y574-I577 HydrophobicContact CE1-CD1 3.5Å; Y574-I577 VanDerWaalsContact CE1-CD1 3.5Å; Y574-I577 HydrophobicContact CE1-CG1 3.8Å; Y574-I577 HydrophobicContact CE2-CB 4Å; Y574-I577 HydrophobicContact CE2-CG1 4.33Å; Y574-I577 HydrophobicContact CG-CB 4.4Å; Y574-I577 VanDerWaalsContact O-CB 3.22Å; Y574-I577 WeakPolarHBondContact O-CB 3.39Å; Y574-I577 WeakPolarHBondContact O-CG2 3.12Å; Y574-I577 PolarHBondContact O-N 2.98Å; H575-I577 VanDerWaalsContact C-N 3.34Å; I577-P580 WeakPolarHBondContact O-CD 3.17Å; I577-F581 VanDerWaalsContact O-CD2 3.32Å; I577-F581 WeakPolarHBondContact O-CD2 3.34Å; I577-F581 VanDerWaalsContact O-CE2 3.32Å; I577-F581 WeakPolarHBondContact O-CE2 3.47Å
578	E	95.8	Very high	92.8	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.009	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-24.9	179.7	77.9	-81.3	-155.3	0	0	113.4	V452 F557 G576 F581 L582	V452-E578 WeakPolarHBondContact CG1-OE2 3.47Å; F557-E578 HydrophobicContact CB-CB 4.36Å; F557-E578 HydrophobicContact CD1-CB 3.65Å; F557-E578 HydrophobicContact CD2-CB 3.83Å; F557-E578 HydrophobicContact CE1-CB 3.73Å; F557-E578 HydrophobicContact CE2-CB 3.93Å; F557-E578 HydrophobicContact CG-CB 3.69Å; F557-E578 HydrophobicContact CZ-CB 3.87Å; G576-E578 VanDerWaalsContact C-OE2 3.22Å; G576-E578 WeakPolarHBondContact CA-OE2 3.21Å; G576-E578 PolarHBondContact O-N 2.97Å; E578-F581 WeakPolarHBondContact O-CB 3.26Å; E578-F581 PolarHBondContact O-N 2.82Å; E578-F581 VanDerWaalsContact O-N 3.12Å; E578-L582 PolarHBondContact O-N 3.46Å
579	L	95.7	Very high	92.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.5	-41.5	-169.8	-60.3	171.1	0	0	0	113.8	Y206 E273 M301 G576 F581 L582 F583 I827 Y829	Y206-L579 HydrophobicContact CE1-CD1 4.25Å; E273-L579 HydrophobicContact CB-CD1 4.24Å; E273-L579 HydrophobicContact CB-CD2 4Å; E273-L579 HydrophobicContact CG-CD1 3.73Å; E273-L579 HydrophobicContact CG-CD2 3.98Å; E273-L579 HydrophobicContact CG-CG 4.25Å; M301-L579 HydrophobicContact CE-CD2 3.5Å; G576-L579 PolarHBondContact O-N 3.12Å; L579-F581 PolarHBondContact O-N 2.87Å; L579-L582 PolarHBondContact O-N 3.48Å; L579-L582 VanDerWaalsContact O-N 3.12Å; L579-F583 HydrophobicContact CB-CD2 4.49Å; L579-F583 HydrophobicContact CD2-CE2 4.4Å; L579-F583 WeakPolarHBondContact O-CD2 3.13Å; L579-F583 PolarHBondContact O-N 2.72Å; L579-I827 HydrophobicContact CB-CD1 3.47Å; L579-I827 VanDerWaalsContact CB-CD1 3.47Å; L579-I827 HydrophobicContact CD1-CD1 3.82Å; L579-I827 HydrophobicContact CG-CD1 4.26Å; L579-Y829 HydrophobicContact CD1-CE2 3.79Å; L579-Y829 WeakPolarHBondContact CD1-OH 3.3Å
580	P	93.6	Very high	92.2	Very high	7 Å²	7	18.7 Å²	18.7	5%	0.045	10%	0.095	C	C	.	.	H	α-helix	trans	-59	-34.8	176	-23.5	35.6	0	0	0	112.3	I577 G584 F585 Y611 C826 I827	I577-P580 WeakPolarHBondContact O-CD 3.17Å; P580-G584 PolarHBondContact O-N 3.44Å; P580-G584 VanDerWaalsContact O-N 3.16Å; P580-F585 HydrophobicContact CB-CB 4.19Å; P580-F585 HydrophobicContact CB-CD2 3.66Å; P580-F585 HydrophobicContact CB-CE2 4.17Å; P580-F585 HydrophobicContact CB-CG 4Å; P580-F585 HydrophobicContact CG-CD2 4.45Å; P580-F585 WeakPolarHBondContact O-CB 3.24Å; P580-F585 PolarHBondContact O-N 3.23Å; P580-Y611 VanDerWaalsContact CB-OH 3.3Å; P580-Y611 WeakPolarHBondContact CB-OH 3.4Å; P580-C826 HydrophobicContact CG-CB 3.95Å; P580-I827 HydrophobicContact CG-CD1 3.87Å; P580-I827 HydrophobicContact CG-CG1 4.24Å
581	F	94.5	Very high	92.1	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-71.3	-43.5	175.3	-56.1	-77	0	0	0	111.2	F557 Y559 I577 E578 L579 F583 G584 P586 Y611 D616 I619 S620 L623	F557-F581 AromaticContact CZ-CD2 3.98Å; F557-F581 HydrophobicContact CZ-CD2 3.98Å; F557-F581 HydrophobicContact CZ-CE2 4.28Å; Y559-F581 HydrophobicContact CD1-CE1 4.26Å; Y559-F581 HydrophobicContact CD1-CE2 4.14Å; Y559-F581 AromaticContact CD1-CZ 3.85Å; Y559-F581 HydrophobicContact CD1-CZ 3.85Å; Y559-F581 AromaticContact CE1-CE1 3.77Å; Y559-F581 HydrophobicContact CE1-CE1 3.77Å; Y559-F581 HydrophobicContact CE1-CE2 4.37Å; Y559-F581 AromaticContact CE1-CZ 3.62Å; Y559-F581 HydrophobicContact CE1-CZ 3.62Å; I577-F581 VanDerWaalsContact O-CD2 3.32Å; I577-F581 WeakPolarHBondContact O-CD2 3.34Å; I577-F581 VanDerWaalsContact O-CE2 3.32Å; I577-F581 WeakPolarHBondContact O-CE2 3.47Å; E578-F581 WeakPolarHBondContact O-CB 3.26Å; E578-F581 PolarHBondContact O-N 2.82Å; E578-F581 VanDerWaalsContact O-N 3.12Å; L579-F581 PolarHBondContact O-N 2.87Å; F581-F583 PolarHBondContact O-N 3.02Å; F581-G584 PolarHBondContact O-N 2.88Å; F581-P586 HydrophobicContact CD1-CG 4.13Å; F581-Y611 HydrophobicContact CE1-CD1 4.45Å; F581-Y611 HydrophobicContact CE1-CE1 4.49Å; F581-D616 HydrophobicContact CE1-CB 3.83Å; F581-D616 WeakPolarHBondContact CE1-OD1 3.29Å; F581-I619 HydrophobicContact CB-CG2 4.16Å; F581-I619 HydrophobicContact CD1-CB 4.41Å; F581-I619 HydrophobicContact CD1-CG2 4.1Å; F581-I619 HydrophobicContact CG-CG2 4.02Å; F581-S620 WeakPolarHBondContact O-CA 3.18Å; F581-S620 WeakPolarHBondContact O-CB 3.4Å; F581-S620 PolarHBondContact O-OG 3.14Å; F581-L623 HydrophobicContact CB-CD1 3.68Å
582	L	96.6	Very high	91.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.7	-37.4	177.4	176.9	60.3	0	0	0	112.9	L211 M271 M301 E578 L579 G584 L623 L624 W627	L211-L582 HydrophobicContact CD2-CD1 4.32Å; M271-L582 HydrophobicContact SD-CD2 4.45Å; M301-L582 HydrophobicContact CE-CD2 3.75Å; M301-L582 HydrophobicContact SD-CD2 3.47Å; M301-L582 WeakPolarHBondContact SD-CD2 3.33Å; E578-L582 PolarHBondContact O-N 3.46Å; L579-L582 PolarHBondContact O-N 3.48Å; L579-L582 VanDerWaalsContact O-N 3.12Å; L582-G584 VanDerWaalsContact C-N 3.29Å; L582-L623 HydrophobicContact CB-CD1 4.33Å; L582-L623 HydrophobicContact CD1-CB 4.33Å; L582-L624 WeakPolarHBondContact O-CD2 3.44Å; L582-W627 HydrophobicContact CD1-CB 3.84Å; L582-W627 HydrophobicContact CD1-CD2 3.65Å; L582-W627 HydrophobicContact CD1-CE3 4.31Å; L582-W627 HydrophobicContact CD1-CG 3.4Å; L582-W627 VanDerWaalsContact CD1-CG 3.4Å; L582-W627 HydrophobicContact CD2-CG 4.49Å
583	F	95	Very high	91.8	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	3.2	177.1	-75.8	-85	0	0	0	113.5	H192 Y206 A210 L211 M271 L579 F581 F585 M588	H192-F583 AromaticContact CD2-CZ 3.64Å; H192-F583 AromaticContact NE2-CZ 3.73Å; Y206-F583 HydrophobicContact CD1-CD2 4.01Å; Y206-F583 HydrophobicContact CD1-CE1 4.3Å; Y206-F583 AromaticContact CD1-CE2 3.45Å; Y206-F583 HydrophobicContact CD1-CE2 3.45Å; Y206-F583 VanDerWaalsContact CD1-CE2 3.45Å; Y206-F583 AromaticContact CD1-CZ 3.61Å; Y206-F583 HydrophobicContact CD1-CZ 3.61Å; Y206-F583 HydrophobicContact CE1-CE2 4.25Å; Y206-F583 HydrophobicContact CG-CE1 4.43Å; Y206-F583 HydrophobicContact CG-CE2 4.33Å; Y206-F583 HydrophobicContact CG-CZ 4.07Å; A210-F583 WeakPolarHBondContact CB-O 3.41Å; L211-F583 HydrophobicContact CD1-CD1 4.19Å; L211-F583 HydrophobicContact CD1-CE1 4.03Å; M271-F583 HydrophobicContact CE-CE1 4.41Å; M271-F583 HydrophobicContact CE-CE2 4.4Å; M271-F583 HydrophobicContact CE-CZ 3.71Å; L579-F583 HydrophobicContact CB-CD2 4.49Å; L579-F583 HydrophobicContact CD2-CE2 4.4Å; L579-F583 WeakPolarHBondContact O-CD2 3.13Å; L579-F583 PolarHBondContact O-N 2.72Å; F581-F583 PolarHBondContact O-N 3.02Å; F583-F585 HydrophobicContact CB-CD1 3.97Å; F583-F585 HydrophobicContact CB-CE1 3.58Å; F583-M588 VanDerWaalsContact O-CE 3.26Å; F583-M588 WeakPolarHBondContact O-CE 3.46Å
584	G	92.7	Very high	91.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	29.5	169.9	0	0	0	0	0	115.3	P580 F581 L582 P586 F587 S620	P580-G584 PolarHBondContact O-N 3.44Å; P580-G584 VanDerWaalsContact O-N 3.16Å; F581-G584 PolarHBondContact O-N 2.88Å; L582-G584 VanDerWaalsContact C-N 3.29Å; G584-P586 VanDerWaalsContact C-CD 3.4Å; G584-P586 VanDerWaalsContact C-N 3.3Å; G584-F587 WeakPolarHBondContact O-CB 3.43Å; G584-F587 PolarHBondContact O-N 2.79Å; G584-S620 WeakPolarHBondContact CA-OG 3.36Å
585	F	91.5	Very high	91.4	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-58.4	-35.1	179.4	-69.8	17	0	0	0	113.2	F157 P207 P580 F583 F587 M588 W593 C606 Y611	F157-F585 HydrophobicContact CZ-CE2 4.49Å; P207-F585 HydrophobicContact CG-CD1 4.48Å; P207-F585 HydrophobicContact CG-CE1 3.67Å; P207-F585 HydrophobicContact CG-CZ 4.27Å; P580-F585 HydrophobicContact CB-CB 4.19Å; P580-F585 HydrophobicContact CB-CD2 3.66Å; P580-F585 HydrophobicContact CB-CE2 4.17Å; P580-F585 HydrophobicContact CB-CG 4Å; P580-F585 HydrophobicContact CG-CD2 4.45Å; P580-F585 WeakPolarHBondContact O-CB 3.24Å; P580-F585 PolarHBondContact O-N 3.23Å; F583-F585 HydrophobicContact CB-CD1 3.97Å; F583-F585 HydrophobicContact CB-CE1 3.58Å; F585-F587 PolarHBondContact O-N 2.87Å; F585-M588 HydrophobicContact CD1-SD 4.39Å; F585-M588 PolarHBondContact O-N 2.93Å; F585-W593 HydrophobicContact CB-CZ2 4.27Å; F585-W593 AromaticContact CD1-CH2 3.86Å; F585-W593 HydrophobicContact CD1-CH2 3.86Å; F585-W593 AromaticContact CD1-CZ2 3.94Å; F585-W593 HydrophobicContact CD1-CZ2 3.94Å; F585-W593 AromaticContact CD2-CH2 3.9Å; F585-W593 HydrophobicContact CD2-CH2 3.9Å; F585-W593 AromaticContact CD2-CZ2 3.86Å; F585-W593 HydrophobicContact CD2-CZ2 3.86Å; F585-W593 AromaticContact CE1-CH2 3.71Å; F585-W593 HydrophobicContact CE1-CH2 3.71Å; F585-W593 HydrophobicContact CE1-CZ2 4.27Å; F585-W593 AromaticContact CE2-CH2 3.75Å; F585-W593 HydrophobicContact CE2-CH2 3.75Å; F585-W593 HydrophobicContact CE2-CZ2 4.2Å; F585-W593 AromaticContact CG-CH2 3.98Å; F585-W593 HydrophobicContact CG-CH2 3.98Å; F585-W593 AromaticContact CG-CZ2 3.75Å; F585-W593 HydrophobicContact CG-CZ2 3.75Å; F585-W593 AromaticContact CZ-CH2 3.67Å; F585-W593 HydrophobicContact CZ-CH2 3.67Å; F585-W593 HydrophobicContact CZ-CZ2 4.41Å; F585-C606 HydrophobicContact CD2-CB 4.08Å; F585-C606 VanDerWaalsContact CD2-SG 3.51Å; F585-C606 HydrophobicContact CE2-CB 4.45Å; F585-C606 WeakPolarHBondContact CE2-SG 3.36Å; F585-Y611 HydrophobicContact CB-CE2 3.71Å; F585-Y611 WeakPolarHBondContact CB-OH 3.07Å
586	P	90	Very high	91.3	Very high	15 Å²	15	22.5 Å²	22.5	10%	0.097	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-57.3	-17.9	172.5	-28.3	37.4	0	0	0	115.1	F581 G584 Y611 D616 T617	F581-P586 HydrophobicContact CD1-CG 4.13Å; G584-P586 VanDerWaalsContact C-CD 3.4Å; G584-P586 VanDerWaalsContact C-N 3.3Å; P586-Y611 HydrophobicContact CB-CD1 4.48Å; P586-Y611 HydrophobicContact CB-CD2 4.46Å; P586-Y611 HydrophobicContact CB-CG 4.08Å; P586-Y611 HydrophobicContact CG-CD1 3.76Å; P586-Y611 HydrophobicContact CG-CD2 4.29Å; P586-Y611 HydrophobicContact CG-CE1 4.15Å; P586-Y611 HydrophobicContact CG-CG 3.82Å; P586-D616 HydrophobicContact CG-CB 4.25Å; P586-T617 HydrophobicContact CB-CG2 3.85Å
587	F	87.8	Confident	91.3	Very high	11 Å²	11	23.1 Å²	23.1	5%	0.048	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-99.7	0.5	178.5	-53.6	-66.4	0	0	0	113.6	Y91 W98 G584 F585 T617 S620 E621 L624	Y91-F587 HydrophobicContact CD2-CD1 4.28Å; Y91-F587 AromaticContact CD2-CD2 3.82Å; Y91-F587 HydrophobicContact CD2-CD2 3.82Å; Y91-F587 HydrophobicContact CD2-CE1 4.49Å; Y91-F587 HydrophobicContact CD2-CE2 4.05Å; Y91-F587 AromaticContact CD2-CG 3.95Å; Y91-F587 HydrophobicContact CD2-CG 3.95Å; Y91-F587 HydrophobicContact CD2-CZ 4.38Å; Y91-F587 AromaticContact CE2-CD2 3.87Å; Y91-F587 HydrophobicContact CE2-CD2 3.87Å; Y91-F587 HydrophobicContact CE2-CE1 4.39Å; Y91-F587 AromaticContact CE2-CE2 3.62Å; Y91-F587 HydrophobicContact CE2-CE2 3.62Å; Y91-F587 HydrophobicContact CE2-CG 4.35Å; Y91-F587 AromaticContact CE2-CZ 3.91Å; Y91-F587 HydrophobicContact CE2-CZ 3.91Å; W98-F587 HydrophobicContact CZ2-CD1 4.47Å; G584-F587 WeakPolarHBondContact O-CB 3.43Å; G584-F587 PolarHBondContact O-N 2.79Å; F585-F587 PolarHBondContact O-N 2.87Å; F587-T617 HydrophobicContact CD1-CG2 4.41Å; F587-T617 HydrophobicContact CE1-CG2 3.92Å; F587-T617 HydrophobicContact CZ-CG2 4.45Å; F587-T617 WeakPolarHBondContact CZ-O 3.2Å; F587-S620 VanDerWaalsContact CE2-OG 3.23Å; F587-S620 WeakPolarHBondContact CE2-OG 3.33Å; F587-E621 HydrophobicContact CZ-CB 4.11Å; F587-L624 HydrophobicContact CD2-CD1 4.14Å; F587-L624 HydrophobicContact CE2-CD1 3.82Å
588	M	86.9	Confident	91	Very high	15 Å²	15	24.4 Å²	24.4	7%	0.074	14%	0.137	C	C	.	.			trans	-106.1	115.4	-177.8	-61.4	-172.9	-169	0	0	110.7	I89 P207 L209 F583 F585 T592 W593	I89-M588 HydrophobicContact CD1-CE 3.97Å; I89-M588 HydrophobicContact CD1-CG 4.12Å; P207-M588 HydrophobicContact CB-CE 4.36Å; P207-M588 HydrophobicContact CG-CE 4.14Å; P207-M588 HydrophobicContact CG-SD 4.18Å; L209-M588 HydrophobicContact CB-CE 4.15Å; F583-M588 VanDerWaalsContact O-CE 3.26Å; F583-M588 WeakPolarHBondContact O-CE 3.46Å; F585-M588 HydrophobicContact CD1-SD 4.39Å; F585-M588 PolarHBondContact O-N 2.93Å; M588-T592 HydrophobicContact CB-CG2 4.24Å; M588-T592 HydrophobicContact CG-CG2 4.13Å; M588-T592 HydrophobicContact SD-CG2 4.44Å; M588-W593 HydrophobicContact CB-CZ2 4.2Å; M588-W593 PolarHBondContact O-NE1 3.21Å; M588-W593 HydrophobicContact SD-CH2 4.14Å; M588-W593 HydrophobicContact SD-CZ2 3.85Å
589	N	84	Confident	90.5	Very high	67 Å²	67	32.2 Å²	32.2	36%	0.358	17%	0.174	S	C	.	.			trans	-86.6	172.3	174.5	69.3	22.8	0	0	0	111.1	S591 T592 W593	N589-S591 VanDerWaalsContact CG-OG 3.28Å; N589-S591 PolarHBondContact ND2-OG 2.64Å; N589-S591 PolarHBondContact O-N 2.94Å; N589-S591 VanDerWaalsContact O-N 3.16Å; N589-S591 WeakPolarHBondContact OD1-CA 3.36Å; N589-S591 PolarHBondContact OD1-N 3.46Å; N589-S591 PolarHBondContact OD1-OG 3.18Å; N589-T592 WeakPolarHBondContact O-CB 3.11Å; N589-T592 PolarHBondContact O-N 2.82Å; N589-T592 PolarHBondContact OD1-N 3.25Å; N589-T592 PolarHBondContact OD1-OG1 3.01Å; N589-W593 PolarHBondContact O-N 2.84Å
590	K	85	Confident	90	Very high	142 Å²	142	39.9 Å²	39.9	62%	0.617	22%	0.215	S	C	*	.	H	α-helix	trans	-53.2	-37.6	178.8	-172.5	176.6	179.9	-179.4	0	113.2	W593 L594 V607	K590-W593 PolarHBondContact O-N 3Å; K590-L594 HydrophobicContact CG-CD1 4.02Å; K590-L594 HydrophobicContact CG-CG 4.37Å; K590-L594 VanDerWaalsContact O-CG 3.31Å; K590-L594 WeakPolarHBondContact O-CG 3.43Å; K590-L594 PolarHBondContact O-N 2.85Å; K590-V607 HydrophobicContact CB-CG1 4.32Å; K590-V607 HydrophobicContact CG-CG1 4.17Å
591	S	87.1	Confident	89.7	Confident	70 Å²	70	43.8 Å²	43.8	49%	0.49	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-40.8	177.1	58.4	0	0	0	0	112.8	N589 W593 L594 T595	N589-S591 VanDerWaalsContact CG-OG 3.28Å; N589-S591 PolarHBondContact ND2-OG 2.64Å; N589-S591 PolarHBondContact O-N 2.94Å; N589-S591 VanDerWaalsContact O-N 3.16Å; N589-S591 WeakPolarHBondContact OD1-CA 3.36Å; N589-S591 PolarHBondContact OD1-N 3.46Å; N589-S591 PolarHBondContact OD1-OG 3.18Å; S591-W593 VanDerWaalsContact C-N 3.31Å; S591-W593 PolarHBondContact O-N 3.08Å; S591-L594 PolarHBondContact O-N 2.99Å; S591-T595 PolarHBondContact O-N 3.34Å; S591-T595 PolarHBondContact O-OG1 2.69Å
592	T	88.7	Confident	89.5	Confident	8 Å²	8	45.6 Å²	45.6	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-44.6	174.4	-53.2	0	0	0	0	111	L209 M588 N589 T595 L596	L209-T592 HydrophobicContact CD2-CG2 3.95Å; M588-T592 HydrophobicContact CB-CG2 4.24Å; M588-T592 HydrophobicContact CG-CG2 4.13Å; M588-T592 HydrophobicContact SD-CG2 4.44Å; N589-T592 WeakPolarHBondContact O-CB 3.11Å; N589-T592 PolarHBondContact O-N 2.82Å; N589-T592 PolarHBondContact OD1-N 3.25Å; N589-T592 PolarHBondContact OD1-OG1 3.01Å; T592-T595 PolarHBondContact O-N 3.41Å; T592-L596 HydrophobicContact CG2-CD1 4.35Å; T592-L596 WeakPolarHBondContact O-CG 3.23Å; T592-L596 PolarHBondContact O-N 2.88Å
593	W	90.7	Very high	89.3	Confident	5 Å²	5	47.4 Å²	47.4	2%	0.019	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-44.5	177.5	-69.4	107.8	0	0	0	112.7	P207 F585 M588 N589 K590 S591 T595 L596 F597 L603 P604 V607	P207-W593 HydrophobicContact CG-CH2 3.93Å; P207-W593 HydrophobicContact CG-CZ3 3.94Å; F585-W593 HydrophobicContact CB-CZ2 4.27Å; F585-W593 AromaticContact CD1-CH2 3.86Å; F585-W593 HydrophobicContact CD1-CH2 3.86Å; F585-W593 AromaticContact CD1-CZ2 3.94Å; F585-W593 HydrophobicContact CD1-CZ2 3.94Å; F585-W593 AromaticContact CD2-CH2 3.9Å; F585-W593 HydrophobicContact CD2-CH2 3.9Å; F585-W593 AromaticContact CD2-CZ2 3.86Å; F585-W593 HydrophobicContact CD2-CZ2 3.86Å; F585-W593 AromaticContact CE1-CH2 3.71Å; F585-W593 HydrophobicContact CE1-CH2 3.71Å; F585-W593 HydrophobicContact CE1-CZ2 4.27Å; F585-W593 AromaticContact CE2-CH2 3.75Å; F585-W593 HydrophobicContact CE2-CH2 3.75Å; F585-W593 HydrophobicContact CE2-CZ2 4.2Å; F585-W593 AromaticContact CG-CH2 3.98Å; F585-W593 HydrophobicContact CG-CH2 3.98Å; F585-W593 AromaticContact CG-CZ2 3.75Å; F585-W593 HydrophobicContact CG-CZ2 3.75Å; F585-W593 AromaticContact CZ-CH2 3.67Å; F585-W593 HydrophobicContact CZ-CH2 3.67Å; F585-W593 HydrophobicContact CZ-CZ2 4.41Å; M588-W593 HydrophobicContact CB-CZ2 4.2Å; M588-W593 PolarHBondContact O-NE1 3.21Å; M588-W593 HydrophobicContact SD-CH2 4.14Å; M588-W593 HydrophobicContact SD-CZ2 3.85Å; N589-W593 PolarHBondContact O-N 2.84Å; K590-W593 PolarHBondContact O-N 3Å; S591-W593 VanDerWaalsContact C-N 3.31Å; S591-W593 PolarHBondContact O-N 3.08Å; W593-T595 VanDerWaalsContact C-N 3.32Å; W593-T595 PolarHBondContact O-N 3.22Å; W593-L596 PolarHBondContact O-N 3.1Å; W593-F597 HydrophobicContact CE3-CD2 4.06Å; W593-F597 AromaticContact CE3-CE2 3.65Å; W593-F597 HydrophobicContact CE3-CE2 3.65Å; W593-F597 AromaticContact CZ3-CE2 3.78Å; W593-F597 HydrophobicContact CZ3-CE2 3.78Å; W593-F597 HydrophobicContact CZ3-CZ 4.42Å; W593-F597 PolarHBondContact O-N 3.07Å; W593-L603 HydrophobicContact CB-CD2 4.36Å; W593-P604 HydrophobicContact CE3-CG 3.91Å; W593-P604 HydrophobicContact CH2-CG 4.39Å; W593-P604 HydrophobicContact CZ3-CB 4.45Å; W593-P604 HydrophobicContact CZ3-CG 3.68Å; W593-V607 HydrophobicContact CB-CG1 4.44Å; W593-V607 HydrophobicContact CB-CG2 3.85Å; W593-V607 HydrophobicContact CD2-CG2 3.58Å; W593-V607 HydrophobicContact CE3-CG2 4.23Å; W593-V607 HydrophobicContact CG-CB 4.48Å; W593-V607 HydrophobicContact CG-CG1 4.33Å; W593-V607 HydrophobicContact CG-CG2 3.37Å
594	L	91.7	Very high	88.9	Confident	51 Å²	51	47.5 Å²	47.5	27%	0.267	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-38	176.1	-72.3	168	0	0	0	112.2	K590 S591 L596 G598 L603	K590-L594 HydrophobicContact CG-CD1 4.02Å; K590-L594 HydrophobicContact CG-CG 4.37Å; K590-L594 VanDerWaalsContact O-CG 3.31Å; K590-L594 WeakPolarHBondContact O-CG 3.43Å; K590-L594 PolarHBondContact O-N 2.85Å; S591-L594 PolarHBondContact O-N 2.99Å; L594-L596 VanDerWaalsContact C-N 3.31Å; L594-L596 PolarHBondContact O-N 3.36Å; L594-G598 CarbonylContact O-C 3.46Å; L594-G598 WeakPolarHBondContact O-CA 3.31Å; L594-G598 PolarHBondContact O-N 2.89Å; L594-L603 HydrophobicContact CD2-CD1 3.95Å; L594-L603 HydrophobicContact CD2-CD2 4.45Å; L594-L603 HydrophobicContact CG-CD1 4.31Å
595	T	91.3	Very high	88.4	Confident	66 Å²	66	51 Å²	51	41%	0.405	27%	0.271	S	S	.	.	H	α-helix	trans	-62.6	-37.8	175	-62.6	0	0	0	0	112.2	F85 S591 T592 W593	F85-T595 HydrophobicContact CD2-CG2 4.33Å; F85-T595 HydrophobicContact CE2-CG2 3.65Å; F85-T595 HydrophobicContact CZ-CG2 4.33Å; S591-T595 PolarHBondContact O-N 3.34Å; S591-T595 PolarHBondContact O-OG1 2.69Å; T592-T595 PolarHBondContact O-N 3.41Å; W593-T595 VanDerWaalsContact C-N 3.32Å; W593-T595 PolarHBondContact O-N 3.22Å
596	L	92.6	Very high	87.7	Confident	3 Å²	3	51 Å²	51	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-81	-40.2	-177.5	-65.8	172.7	0	0	0	113.4	F85 V108 F143 P207 L209 T592 W593 L594	F85-L596 HydrophobicContact CZ-CD2 4.33Å; V108-L596 HydrophobicContact CG1-CD2 4.29Å; F143-L596 WeakPolarHBondContact CD2-O 3.32Å; F143-L596 HydrophobicContact CE2-CB 4.25Å; P207-L596 HydrophobicContact CB-CD1 3.88Å; L209-L596 HydrophobicContact CD1-CD1 3.54Å; L209-L596 HydrophobicContact CD1-CD2 3.76Å; L209-L596 HydrophobicContact CD1-CG 4.27Å; L209-L596 HydrophobicContact CD2-CD1 4.2Å; L209-L596 HydrophobicContact CD2-CD2 4.35Å; T592-L596 HydrophobicContact CG2-CD1 4.35Å; T592-L596 WeakPolarHBondContact O-CG 3.23Å; T592-L596 PolarHBondContact O-N 2.88Å; W593-L596 PolarHBondContact O-N 3.1Å; L594-L596 VanDerWaalsContact C-N 3.31Å; L594-L596 PolarHBondContact O-N 3.36Å
597	F	91.9	Very high	87.1	Confident	13 Å²	13	52 Å²	52	6%	0.057	28%	0.277	C	S	.	.	H	α-helix	trans	-94.3	-24.2	-175.5	-76.4	-103	0	0	0	112.5	F143 I158 H204 W593 N601 L603 P604	F143-F597 HydrophobicContact CE2-CD2 4.48Å; F143-F597 HydrophobicContact CE2-CE2 4.21Å; F143-F597 HydrophobicContact CE2-CZ 4.39Å; I158-F597 HydrophobicContact CD1-CE1 3.76Å; I158-F597 HydrophobicContact CD1-CZ 4.38Å; I158-F597 HydrophobicContact CG1-CE1 4.36Å; H204-F597 HydrophobicContact CB-CE1 4.32Å; H204-F597 HydrophobicContact CB-CZ 4.45Å; H204-F597 WeakPolarHBondContact O-CZ 3.49Å; W593-F597 HydrophobicContact CE3-CD2 4.06Å; W593-F597 AromaticContact CE3-CE2 3.65Å; W593-F597 HydrophobicContact CE3-CE2 3.65Å; W593-F597 AromaticContact CZ3-CE2 3.78Å; W593-F597 HydrophobicContact CZ3-CE2 3.78Å; W593-F597 HydrophobicContact CZ3-CZ 4.42Å; W593-F597 PolarHBondContact O-N 3.07Å; F597-N601 VanDerWaalsContact O-CB 3.29Å; F597-N601 WeakPolarHBondContact O-CB 3.49Å; F597-N601 PolarHBondContact O-ND2 3.37Å; F597-L603 HydrophobicContact CB-CD2 3.65Å; F597-L603 HydrophobicContact CG-CD2 4.11Å; F597-P604 HydrophobicContact CE1-CG 4.15Å; F597-P604 HydrophobicContact CE2-CG 4.03Å; F597-P604 HydrophobicContact CZ-CG 3.67Å
598	G	88.2	Confident	86.1	Confident	28 Å²	28	55.6 Å²	55.6	29%	0.289	30%	0.304	S	S	.	.			trans	87.1	149.9	-171.4	0	0	0	0	0	112.6	L594 N600 N601	L594-G598 CarbonylContact O-C 3.46Å; L594-G598 WeakPolarHBondContact O-CA 3.31Å; L594-G598 PolarHBondContact O-N 2.89Å; G598-N600 VanDerWaalsContact C-N 3.28Å; G598-N600 PolarHBondContact O-N 2.87Å; G598-N601 PolarHBondContact O-N 3.23Å
599	E	84.5	Confident	85.1	Confident	167 Å²	167	56.9 Å²	56.9	78%	0.78	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.3	-169.8	-63	-176.1	161.9	0	0	115
600	N	85.3	Confident	84.5	Confident	160 Å²	160	59.7 Å²	59.7	86%	0.856	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-0.2	-175.4	-63	-39.9	0	0	0	113.5	G598	G598-N600 VanDerWaalsContact C-N 3.28Å; G598-N600 PolarHBondContact O-N 2.87Å
601	N	88.4	Confident	84.5	Confident	90 Å²	90	55.5 Å²	55.5	48%	0.481	31%	0.307	S	S	.	.	S	Bend	trans	-98.4	148.2	-175.9	-70.9	-40.8	0	0	0	111	F597 G598 L603	F597-N601 VanDerWaalsContact O-CB 3.29Å; F597-N601 WeakPolarHBondContact O-CB 3.49Å; F597-N601 PolarHBondContact O-ND2 3.37Å; G598-N601 PolarHBondContact O-N 3.23Å; N601-L603 PolarHBondContact O-N 2.98Å
602	P	90.1	Very high	84.5	Confident	43 Å²	43	53.6 Å²	53.6	28%	0.279	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-62.3	137.1	176.6	27.8	-34.6	0	0	0	110.1	I158 P159 F161	I158-P602 HydrophobicContact CG2-CB 3.59Å; I158-P602 HydrophobicContact CG2-CG 3.74Å; I158-P602 WeakPolarHBondContact CG2-O 3.27Å; P159-P602 VanDerWaalsContact O-CB 3.23Å; P159-P602 WeakPolarHBondContact O-CB 3.28Å; F161-P602 HydrophobicContact CD2-CG 4.49Å
603	L	90.8	Very high	84.3	Confident	39 Å²	39	58.9 Å²	58.9	20%	0.204	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-95.6	153.4	179.7	-63.5	-177.4	0	0	0	111.1	W593 L594 F597 N601 V607	W593-L603 HydrophobicContact CB-CD2 4.36Å; L594-L603 HydrophobicContact CD2-CD1 3.95Å; L594-L603 HydrophobicContact CD2-CD2 4.45Å; L594-L603 HydrophobicContact CG-CD1 4.31Å; F597-L603 HydrophobicContact CB-CD2 3.65Å; F597-L603 HydrophobicContact CG-CD2 4.11Å; N601-L603 PolarHBondContact O-N 2.98Å; L603-V607 HydrophobicContact CB-CB 4.47Å; L603-V607 HydrophobicContact CB-CG2 4.09Å; L603-V607 HydrophobicContact CD1-CG1 4.15Å
604	P	88.1	Confident	84.2	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.019	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-54.6	143.6	172	-25.8	35.6	0	0	0	111.6	F157 I158 W593 F597 C606 V607	F157-P604 HydrophobicContact CE1-CB 3.86Å; F157-P604 HydrophobicContact CE1-CG 3.87Å; F157-P604 HydrophobicContact CZ-CB 3.93Å; F157-P604 HydrophobicContact CZ-CG 4.18Å; I158-P604 HydrophobicContact CG1-CB 4.17Å; I158-P604 HydrophobicContact CG1-CG 3.87Å; W593-P604 HydrophobicContact CE3-CG 3.91Å; W593-P604 HydrophobicContact CH2-CG 4.39Å; W593-P604 HydrophobicContact CZ3-CB 4.45Å; W593-P604 HydrophobicContact CZ3-CG 3.68Å; F597-P604 HydrophobicContact CE1-CG 4.15Å; F597-P604 HydrophobicContact CE2-CG 4.03Å; F597-P604 HydrophobicContact CZ-CG 3.67Å; P604-C606 HydrophobicContact CB-CB 4.29Å; P604-C606 PolarHBondContact O-N 3.16Å; P604-C606 VanDerWaalsContact O-N 3.08Å; P604-V607 HydrophobicContact CB-CG2 4.44Å; P604-V607 WeakPolarHBondContact O-CB 3.35Å; P604-V607 WeakPolarHBondContact O-CG2 3.4Å; P604-V607 PolarHBondContact O-N 2.93Å
605	R	82.3	Confident	84.2	Confident	72 Å²	72	63.9 Å²	63.9	27%	0.272	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-56.3	-30.9	179.2	-168	-177.3	-76.5	-107.6	2.6	112.1	F157 P159 V607 S608 T824	F157-R605 PolarHBondContact O-N 3.18Å; P159-R605 HydrophobicContact CG-CB 4.08Å; P159-R605 HydrophobicContact CG-CG 4.38Å; R605-V607 PolarHBondContact O-N 3.18Å; R605-V607 VanDerWaalsContact O-N 3.09Å; R605-S608 PolarHBondContact O-N 3.02Å; R605-S608 PolarHBondContact O-OG 3.47Å; R605-T824 WeakPolarHBondContact CD-O 3.14Å; R605-T824 PolarHBondContact NE-O 2.88Å
606	C	75.7	Confident	84.2	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.014	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-45.4	-36.2	171.6	-57.1	0	0	0	0	116	F585 P604 S608 N609 C826	F585-C606 HydrophobicContact CD2-CB 4.08Å; F585-C606 VanDerWaalsContact CD2-SG 3.51Å; F585-C606 HydrophobicContact CE2-CB 4.45Å; F585-C606 WeakPolarHBondContact CE2-SG 3.36Å; P604-C606 HydrophobicContact CB-CB 4.29Å; P604-C606 PolarHBondContact O-N 3.16Å; P604-C606 VanDerWaalsContact O-N 3.08Å; C606-S608 PolarHBondContact O-N 2.82Å; C606-S608 VanDerWaalsContact O-N 3.09Å; C606-N609 WeakPolarHBondContact O-CB 3.48Å; C606-N609 PolarHBondContact O-N 2.78Å; C606-C826 WeakPolarHBondContact CA-SG 3.48Å; C606-C826 HydrophobicContact CB-CB 4.25Å; C606-C826 WeakPolarHBondContact CB-SG 3.49Å; C606-C826 WeakPolarHBondContact SG-CA 3.44Å; C606-C826 WeakPolarHBondContact SG-CB 3.46Å; C606-C826 CovalentContact SG-SG 2.02Å; C606-C826 PolarHBondContact SG-SG 2.82Å
607	V	77.5	Confident	84.1	Confident	37 Å²	37	60.8 Å²	60.8	22%	0.224	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-63	-23	-173.6	-177.1	0	0	0	0	110.5	K590 W593 L603 P604 R605	K590-V607 HydrophobicContact CB-CG1 4.32Å; K590-V607 HydrophobicContact CG-CG1 4.17Å; W593-V607 HydrophobicContact CB-CG1 4.44Å; W593-V607 HydrophobicContact CB-CG2 3.85Å; W593-V607 HydrophobicContact CD2-CG2 3.58Å; W593-V607 HydrophobicContact CE3-CG2 4.23Å; W593-V607 HydrophobicContact CG-CB 4.48Å; W593-V607 HydrophobicContact CG-CG1 4.33Å; W593-V607 HydrophobicContact CG-CG2 3.37Å; L603-V607 HydrophobicContact CB-CB 4.47Å; L603-V607 HydrophobicContact CB-CG2 4.09Å; L603-V607 HydrophobicContact CD1-CG1 4.15Å; P604-V607 HydrophobicContact CB-CG2 4.44Å; P604-V607 WeakPolarHBondContact O-CB 3.35Å; P604-V607 WeakPolarHBondContact O-CG2 3.4Å; P604-V607 PolarHBondContact O-N 2.93Å; R605-V607 PolarHBondContact O-N 3.18Å; R605-V607 VanDerWaalsContact O-N 3.09Å
608	S	67.4	Low	84.1	Confident	87 Å²	87	62.5 Å²	62.5	61%	0.608	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-90.8	-11.4	173.3	68	0	0	0	0	114.7	R605 C606	R605-S608 PolarHBondContact O-N 3.02Å; R605-S608 PolarHBondContact O-OG 3.47Å; C606-S608 PolarHBondContact O-N 2.82Å; C606-S608 VanDerWaalsContact O-N 3.09Å
609	N	66.7	Low	84.4	Confident	41 Å²	41	61.4 Å²	61.4	22%	0.219	31%	0.312	C	S	.	.	S	Bend	trans	-83.6	123.4	177.8	-71.2	-11	0	0	0	109.5	C606 Y611	C606-N609 WeakPolarHBondContact O-CB 3.48Å; C606-N609 PolarHBondContact O-N 2.78Å; N609-Y611 PolarHBondContact O-N 3.25Å
610	N	70.8	Confident	84.8	Confident	126 Å²	126	53.4 Å²	53.4	67%	0.674	28%	0.275	S	S	*	.			trans	-81.2	98.2	176.1	-69.8	-20	0	0	0	109.4	N563 V612	N563-N610 WeakPolarHBondContact CB-O 3.49Å; N563-N610 PolarHBondContact ND2-O 2.88Å; N610-V612 PolarHBondContact O-N 2.85Å
611	Y	85.5	Confident	85.1	Confident	55 Å²	55	46.6 Å²	46.6	22%	0.216	24%	0.238	C	C	.	.			trans	-60.1	134.5	166.2	-67	-75	0	0	0	110.2	P580 F581 F585 P586 N609 D616 C826	P580-Y611 VanDerWaalsContact CB-OH 3.3Å; P580-Y611 WeakPolarHBondContact CB-OH 3.4Å; F581-Y611 HydrophobicContact CE1-CD1 4.45Å; F581-Y611 HydrophobicContact CE1-CE1 4.49Å; F585-Y611 HydrophobicContact CB-CE2 3.71Å; F585-Y611 WeakPolarHBondContact CB-OH 3.07Å; P586-Y611 HydrophobicContact CB-CD1 4.48Å; P586-Y611 HydrophobicContact CB-CD2 4.46Å; P586-Y611 HydrophobicContact CB-CG 4.08Å; P586-Y611 HydrophobicContact CG-CD1 3.76Å; P586-Y611 HydrophobicContact CG-CD2 4.29Å; P586-Y611 HydrophobicContact CG-CE1 4.15Å; P586-Y611 HydrophobicContact CG-CG 3.82Å; N609-Y611 PolarHBondContact O-N 3.25Å; Y611-D616 VanDerWaalsContact CA-OD2 3.25Å; Y611-D616 WeakPolarHBondContact CA-OD2 3.14Å; Y611-D616 HydrophobicContact CD1-CB 4.14Å; Y611-C826 PolarHBondContact OH-SG 3.26Å
612	V	86	Confident	85.4	Confident	30 Å²	30	42.5 Å²	42.5	18%	0.182	22%	0.215	C	C	.	.			trans	-87.9	115.1	-174.4	-172.3	0	0	0	0	110.4	P562 N563 N610 Y615 D616	P562-V612 HydrophobicContact CB-CG2 4.32Å; P562-V612 HydrophobicContact CG-CG2 4.34Å; N563-V612 HydrophobicContact CB-CG2 4.01Å; N563-V612 VanDerWaalsContact CG-CG2 3.49Å; N563-V612 WeakPolarHBondContact ND2-CG2 3.49Å; N610-V612 PolarHBondContact O-N 2.85Å; V612-Y615 HydrophobicContact CG1-CD2 3.78Å; V612-Y615 HydrophobicContact CG1-CE2 4.41Å; V612-Y615 PolarHBondContact O-N 3.14Å; V612-Y615 VanDerWaalsContact O-N 3.15Å; V612-D616 PolarHBondContact N-OD2 3.49Å; V612-D616 WeakPolarHBondContact O-CB 3.33Å; V612-D616 PolarHBondContact O-N 3.23Å
613	Y	85.8	Confident	85.8	Confident	119 Å²	119	40.5 Å²	40.5	47%	0.467	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	138.8	166.3	178.2	-91.8	0	0	0	110.8	W98 T617	W98-Y613 HydrophobicContact CB-CE2 4.01Å; W98-Y613 AromaticContact CD1-CE2 3.51Å; W98-Y613 HydrophobicContact CD2-CD2 4.04Å; W98-Y613 AromaticContact CD2-CE2 3.92Å; W98-Y613 HydrophobicContact CD2-CE2 3.92Å; W98-Y613 HydrophobicContact CG-CD2 4.14Å; W98-Y613 AromaticContact CG-CE2 3.52Å; W98-Y613 HydrophobicContact CG-CE2 3.52Å; W98-Y613 AromaticContact CG-CZ 3.97Å; W98-Y613 AromaticContact NE1-CE2 3.87Å; Y613-T617 HydrophobicContact CD2-CG2 4.23Å; Y613-T617 WeakPolarHBondContact CD2-OG1 3.38Å
614	P	87.8	Confident	86	Confident	44 Å²	44	38.7 Å²	38.7	29%	0.286	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91	-5.2	-1.3	36.1	-35.1	0	0	0	114.1	T617 N618	P614-T617 WeakPolarHBondContact CA-OG1 3.43Å; P614-T617 PolarHBondContact O-OG1 3.39Å; P614-N618 WeakPolarHBondContact O-CB 3.26Å; P614-N618 PolarHBondContact O-N 3.37Å; P614-N618 PolarHBondContact O-OD1 3.1Å
615	Y	91.8	Very high	86.3	Confident	116 Å²	116	40.2 Å²	40.2	46%	0.455	20%	0.201	S	C	.	.	H	α-helix	trans	-60.4	-54.3	-168.8	-54.1	-73.6	0	0	0	113.5	Y559 V612 N618 I619 L661	Y559-Y615 VanDerWaalsContact OH-CB 3.29Å; Y559-Y615 WeakPolarHBondContact OH-CB 3.02Å; V612-Y615 HydrophobicContact CG1-CD2 3.78Å; V612-Y615 HydrophobicContact CG1-CE2 4.41Å; V612-Y615 PolarHBondContact O-N 3.14Å; V612-Y615 VanDerWaalsContact O-N 3.15Å; Y615-N618 PolarHBondContact O-N 2.9Å; Y615-I619 PolarHBondContact O-N 3.22Å; Y615-I619 VanDerWaalsContact O-N 3.09Å; Y615-L661 HydrophobicContact CD1-CD1 3.76Å; Y615-L661 HydrophobicContact CD1-CD2 4.05Å; Y615-L661 HydrophobicContact CE1-CD1 4.41Å
616	D	91.7	Very high	87	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-40.5	-177	-72.8	-25	0	0	0	111.6	Y559 S561 F581 P586 Y611 V612 N618 I619 S620	Y559-D616 WeakPolarHBondContact CE1-OD1 3.48Å; Y559-D616 PolarHBondContact OH-OD1 3.31Å; S561-D616 WeakPolarHBondContact CA-OD1 3.45Å; S561-D616 WeakPolarHBondContact CB-OD1 3.23Å; S561-D616 WeakPolarHBondContact CB-OD2 3.48Å; S561-D616 VanDerWaalsContact OG-CG 3.3Å; S561-D616 PolarHBondContact OG-OD1 2.75Å; S561-D616 PolarHBondContact OG-OD2 2.93Å; F581-D616 HydrophobicContact CE1-CB 3.83Å; F581-D616 WeakPolarHBondContact CE1-OD1 3.29Å; P586-D616 HydrophobicContact CG-CB 4.25Å; Y611-D616 VanDerWaalsContact CA-OD2 3.25Å; Y611-D616 WeakPolarHBondContact CA-OD2 3.14Å; Y611-D616 HydrophobicContact CD1-CB 4.14Å; V612-D616 PolarHBondContact N-OD2 3.49Å; V612-D616 WeakPolarHBondContact O-CB 3.33Å; V612-D616 PolarHBondContact O-N 3.23Å; D616-N618 VanDerWaalsContact C-N 3.33Å; D616-I619 PolarHBondContact O-N 3.38Å; D616-S620 VanDerWaalsContact O-CB 3.31Å; D616-S620 WeakPolarHBondContact O-CB 3.49Å; D616-S620 PolarHBondContact O-N 3.21Å
617	T	90	Very high	88.1	Confident	5 Å²	5	36.8 Å²	36.8	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-39.1	175.7	48.4	0	0	0	0	111.3	W98 P586 F587 Y613 P614 S620 E621	W98-T617 HydrophobicContact CZ2-CG2 4.22Å; P586-T617 HydrophobicContact CB-CG2 3.85Å; F587-T617 HydrophobicContact CD1-CG2 4.41Å; F587-T617 HydrophobicContact CE1-CG2 3.92Å; F587-T617 HydrophobicContact CZ-CG2 4.45Å; F587-T617 WeakPolarHBondContact CZ-O 3.2Å; Y613-T617 HydrophobicContact CD2-CG2 4.23Å; Y613-T617 WeakPolarHBondContact CD2-OG1 3.38Å; P614-T617 WeakPolarHBondContact CA-OG1 3.43Å; P614-T617 PolarHBondContact O-OG1 3.39Å; T617-S620 PolarHBondContact O-N 3.07Å; T617-E621 WeakPolarHBondContact O-CB 3.26Å; T617-E621 PolarHBondContact O-N 2.9Å
618	N	91.4	Very high	89	Confident	48 Å²	48	35 Å²	35	26%	0.257	18%	0.177	S	C	.	.	H	α-helix	trans	-65.6	-41.9	178.7	-72.8	6.2	0	0	0	111.7	W95 P614 Y615 D616 Y622 K642	W95-N618 VanDerWaalsContact CZ3-OD1 3.29Å; W95-N618 WeakPolarHBondContact CZ3-OD1 3.18Å; P614-N618 WeakPolarHBondContact O-CB 3.26Å; P614-N618 PolarHBondContact O-N 3.37Å; P614-N618 PolarHBondContact O-OD1 3.1Å; Y615-N618 PolarHBondContact O-N 2.9Å; D616-N618 VanDerWaalsContact C-N 3.33Å; N618-Y622 WeakPolarHBondContact O-CB 3.12Å; N618-Y622 PolarHBondContact O-N 2.92Å; N618-Y622 VanDerWaalsContact O-N 3.12Å; N618-K642 PolarHBondContact O-NZ 3.19Å
619	I	94.7	Very high	90.4	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-66	-47	175.7	-69.2	-64.5	0	0	0	110.5	F557 Y559 F581 Y615 D616 E621 Y622 L623 L661	F557-I619 HydrophobicContact CE2-CG2 3.94Å; F557-I619 HydrophobicContact CZ-CG2 4.09Å; Y559-I619 HydrophobicContact CD1-CB 4.09Å; Y559-I619 HydrophobicContact CD1-CD1 4.48Å; Y559-I619 HydrophobicContact CD1-CG1 3.69Å; Y559-I619 HydrophobicContact CD1-CG2 3.87Å; Y559-I619 HydrophobicContact CD2-CD1 4.43Å; Y559-I619 HydrophobicContact CD2-CG1 4.12Å; Y559-I619 HydrophobicContact CE1-CB 4.13Å; Y559-I619 HydrophobicContact CE1-CG1 3.75Å; Y559-I619 HydrophobicContact CE1-CG2 4.34Å; Y559-I619 HydrophobicContact CE2-CG1 4.21Å; Y559-I619 HydrophobicContact CG-CD1 4.21Å; Y559-I619 HydrophobicContact CG-CG1 3.86Å; Y559-I619 HydrophobicContact CG-CG2 4.46Å; F581-I619 HydrophobicContact CB-CG2 4.16Å; F581-I619 HydrophobicContact CD1-CB 4.41Å; F581-I619 HydrophobicContact CD1-CG2 4.1Å; F581-I619 HydrophobicContact CG-CG2 4.02Å; Y615-I619 PolarHBondContact O-N 3.22Å; Y615-I619 VanDerWaalsContact O-N 3.09Å; D616-I619 PolarHBondContact O-N 3.38Å; I619-E621 PolarHBondContact O-N 2.96Å; I619-Y622 WeakPolarHBondContact O-CB 3.23Å; I619-Y622 PolarHBondContact O-N 2.97Å; I619-Y622 VanDerWaalsContact O-N 3.14Å; I619-L623 HydrophobicContact CG2-CD1 4.39Å; I619-L623 HydrophobicContact CG2-CG 4.49Å; I619-L623 WeakPolarHBondContact O-CG 3.38Å; I619-L623 PolarHBondContact O-N 3.1Å; I619-L661 HydrophobicContact CD1-CD2 4.07Å; I619-L661 HydrophobicContact CG1-CD2 3.88Å
620	S	93.5	Very high	91.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-45.9	179.5	-177.8	0	0	0	0	112.5	F581 G584 F587 D616 T617 Y622 L623 L624	F581-S620 WeakPolarHBondContact O-CA 3.18Å; F581-S620 WeakPolarHBondContact O-CB 3.4Å; F581-S620 PolarHBondContact O-OG 3.14Å; G584-S620 WeakPolarHBondContact CA-OG 3.36Å; F587-S620 VanDerWaalsContact CE2-OG 3.23Å; F587-S620 WeakPolarHBondContact CE2-OG 3.33Å; D616-S620 VanDerWaalsContact O-CB 3.31Å; D616-S620 WeakPolarHBondContact O-CB 3.49Å; D616-S620 PolarHBondContact O-N 3.21Å; T617-S620 PolarHBondContact O-N 3.07Å; S620-Y622 VanDerWaalsContact C-N 3.33Å; S620-Y622 PolarHBondContact O-N 3.31Å; S620-L623 PolarHBondContact O-N 2.86Å; S620-L624 WeakPolarHBondContact O-CB 3.49Å; S620-L624 VanDerWaalsContact O-CG 3.24Å; S620-L624 WeakPolarHBondContact O-CG 3.24Å; S620-L624 PolarHBondContact O-N 2.86Å
621	E	91.4	Very high	93.2	Very high	16 Å²	16	24.3 Å²	24.3	8%	0.075	11%	0.113	C	C	.	.	H	α-helix	trans	-61.9	-40.9	175	173.8	162.3	-162	0	0	112.7	Y91 W95 F587 T617 I619 L623 L624 D625	Y91-E621 WeakPolarHBondContact OH-CG 3.27Å; W95-E621 HydrophobicContact CH2-CG 4.26Å; W95-E621 WeakPolarHBondContact CH2-OE2 3.4Å; W95-E621 HydrophobicContact CZ2-CG 4.01Å; W95-E621 VanDerWaalsContact CZ2-OE1 3.26Å; W95-E621 WeakPolarHBondContact CZ2-OE1 3.47Å; W95-E621 WeakPolarHBondContact CZ2-OE2 3.24Å; F587-E621 HydrophobicContact CZ-CB 4.11Å; T617-E621 WeakPolarHBondContact O-CB 3.26Å; T617-E621 PolarHBondContact O-N 2.9Å; I619-E621 PolarHBondContact O-N 2.96Å; E621-L623 PolarHBondContact O-N 3.42Å; E621-L624 PolarHBondContact O-N 2.79Å; E621-D625 PolarHBondContact O-N 3.09Å
622	Y	95	Very high	93.8	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-46	178.4	-173.2	-131.5	0	0	0	111.9	N618 I619 S620 D625 L626 V641 K642 L657 I659 S663	N618-Y622 WeakPolarHBondContact O-CB 3.12Å; N618-Y622 PolarHBondContact O-N 2.92Å; N618-Y622 VanDerWaalsContact O-N 3.12Å; I619-Y622 WeakPolarHBondContact O-CB 3.23Å; I619-Y622 PolarHBondContact O-N 2.97Å; I619-Y622 VanDerWaalsContact O-N 3.14Å; S620-Y622 VanDerWaalsContact C-N 3.33Å; S620-Y622 PolarHBondContact O-N 3.31Å; Y622-D625 PolarHBondContact O-N 2.8Å; Y622-L626 HydrophobicContact CD1-CD1 4.04Å; Y622-L626 HydrophobicContact CD2-CD1 4.18Å; Y622-L626 HydrophobicContact CD2-CG 4.28Å; Y622-L626 HydrophobicContact CE1-CD1 3.69Å; Y622-L626 HydrophobicContact CE2-CD1 3.86Å; Y622-L626 HydrophobicContact CE2-CD2 4.23Å; Y622-L626 HydrophobicContact CE2-CG 4.08Å; Y622-L626 HydrophobicContact CG-CD1 4.27Å; Y622-L626 VanDerWaalsContact O-CG 3.27Å; Y622-L626 WeakPolarHBondContact O-CG 3.39Å; Y622-L626 PolarHBondContact O-N 2.95Å; Y622-V641 HydrophobicContact CD2-CG1 3.84Å; Y622-V641 HydrophobicContact CE2-CB 4.34Å; Y622-V641 HydrophobicContact CE2-CG1 3.79Å; Y622-K642 HydrophobicContact CD2-CB 4.33Å; Y622-K642 HydrophobicContact CD2-CD 3.68Å; Y622-K642 HydrophobicContact CD2-CG 3.97Å; Y622-K642 HydrophobicContact CE2-CB 4.13Å; Y622-K642 HydrophobicContact CE2-CD 4.27Å; Y622-K642 HydrophobicContact CE2-CG 4.26Å; Y622-K642 HydrophobicContact CG-CD 4.1Å; Y622-L657 HydrophobicContact CE1-CD2 4.38Å; Y622-I659 HydrophobicContact CD1-CG2 4.38Å; Y622-I659 HydrophobicContact CE1-CG2 4.43Å; Y622-S663 VanDerWaalsContact CE1-OG 3.3Å; Y622-S663 WeakPolarHBondContact CE1-OG 3.11Å
623	L	97.1	Very high	94.3	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-45.6	175.8	-64.5	-176.4	0	0	0	111.6	F557 F581 L582 I619 S620 E621 D625 L626 W627 I659	F557-L623 HydrophobicContact CD2-CD2 4.46Å; F557-L623 HydrophobicContact CE2-CD1 3.93Å; F557-L623 HydrophobicContact CE2-CD2 4.4Å; F581-L623 HydrophobicContact CB-CD1 3.68Å; L582-L623 HydrophobicContact CB-CD1 4.33Å; L582-L623 HydrophobicContact CD1-CB 4.33Å; I619-L623 HydrophobicContact CG2-CD1 4.39Å; I619-L623 HydrophobicContact CG2-CG 4.49Å; I619-L623 WeakPolarHBondContact O-CG 3.38Å; I619-L623 PolarHBondContact O-N 3.1Å; S620-L623 PolarHBondContact O-N 2.86Å; E621-L623 PolarHBondContact O-N 3.42Å; L623-D625 VanDerWaalsContact C-N 3.29Å; L623-D625 PolarHBondContact O-N 2.56Å; L623-L626 PolarHBondContact O-N 2.8Å; L623-W627 HydrophobicContact CB-CE3 4.42Å; L623-W627 HydrophobicContact CB-CZ3 4.49Å; L623-W627 HydrophobicContact CD2-CE3 4.36Å; L623-W627 HydrophobicContact CD2-CH2 4.08Å; L623-W627 HydrophobicContact CD2-CZ3 3.63Å; L623-W627 WeakPolarHBondContact O-CB 3.43Å; L623-W627 VanDerWaalsContact O-CE3 3.26Å; L623-W627 PolarHBondContact O-N 3.27Å; L623-I659 HydrophobicContact CD2-CD1 3.87Å; L623-I659 HydrophobicContact CD2-CG2 4.12Å
624	L	95.1	Very high	94.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.2	-42	177.7	-74.4	167.3	0	0	0	111.9	Y91 A210 L211 K214 L582 F587 S620 E621 A628	Y91-L624 HydrophobicContact CD2-CD1 4.39Å; Y91-L624 HydrophobicContact CE2-CD1 3.6Å; A210-L624 HydrophobicContact CB-CD1 4.01Å; A210-L624 HydrophobicContact CB-CD2 3.87Å; L211-L624 HydrophobicContact CB-CD2 4.49Å; L211-L624 HydrophobicContact CD2-CD2 3.71Å; L211-L624 HydrophobicContact CG-CD2 3.8Å; K214-L624 HydrophobicContact CG-CB 4.33Å; L582-L624 WeakPolarHBondContact O-CD2 3.44Å; F587-L624 HydrophobicContact CD2-CD1 4.14Å; F587-L624 HydrophobicContact CE2-CD1 3.82Å; S620-L624 WeakPolarHBondContact O-CB 3.49Å; S620-L624 VanDerWaalsContact O-CG 3.24Å; S620-L624 WeakPolarHBondContact O-CG 3.24Å; S620-L624 PolarHBondContact O-N 2.86Å; E621-L624 PolarHBondContact O-N 2.79Å; L624-A628 WeakPolarHBondContact O-CB 3.48Å; L624-A628 PolarHBondContact O-N 3.27Å
625	D	94.5	Very high	95.2	Very high	35 Å²	35	24.1 Å²	24.1	19%	0.187	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-51	176	-81.3	-33.5	0	0	0	112.4	K214 E621 Y622 L623 W627 A628 N629 V641	K214-D625 WeakPolarHBondContact CE-OD1 3.18Å; K214-D625 IonicContact NZ-OD1 3.68Å; K214-D625 PolarHBondContact NZ-OD1 3.25Å; K214-D625 IonicContact NZ-OD2 3.64Å; E621-D625 PolarHBondContact O-N 3.09Å; Y622-D625 PolarHBondContact O-N 2.8Å; L623-D625 VanDerWaalsContact C-N 3.29Å; L623-D625 PolarHBondContact O-N 2.56Å; D625-W627 PolarHBondContact O-N 2.84Å; D625-A628 PolarHBondContact O-N 3.29Å; D625-N629 VanDerWaalsContact O-CB 3.25Å; D625-N629 WeakPolarHBondContact O-CB 3.35Å; D625-N629 PolarHBondContact O-N 3.25Å; D625-N629 PolarHBondContact O-ND2 2.91Å; D625-V641 HydrophobicContact CB-CG1 4Å
626	L	97.7	Very high	95.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.4	-45.9	-177.4	-69.4	175.5	0	0	0	111.6	Y622 L623 F630 P636 T637 V641 W646 L657	Y622-L626 HydrophobicContact CD1-CD1 4.04Å; Y622-L626 HydrophobicContact CD2-CD1 4.18Å; Y622-L626 HydrophobicContact CD2-CG 4.28Å; Y622-L626 HydrophobicContact CE1-CD1 3.69Å; Y622-L626 HydrophobicContact CE2-CD1 3.86Å; Y622-L626 HydrophobicContact CE2-CD2 4.23Å; Y622-L626 HydrophobicContact CE2-CG 4.08Å; Y622-L626 HydrophobicContact CG-CD1 4.27Å; Y622-L626 VanDerWaalsContact O-CG 3.27Å; Y622-L626 WeakPolarHBondContact O-CG 3.39Å; Y622-L626 PolarHBondContact O-N 2.95Å; L623-L626 PolarHBondContact O-N 2.8Å; L626-F630 PolarHBondContact O-N 2.99Å; L626-P636 HydrophobicContact CB-CB 4.31Å; L626-P636 HydrophobicContact CD2-CB 4.02Å; L626-P636 WeakPolarHBondContact O-CA 3.42Å; L626-T637 HydrophobicContact CD2-CG2 3.65Å; L626-V641 HydrophobicContact CD2-CB 4.26Å; L626-V641 HydrophobicContact CD2-CG1 4.4Å; L626-V641 HydrophobicContact CD2-CG2 4.44Å; L626-W646 HydrophobicContact CB-CZ3 4.46Å; L626-W646 HydrophobicContact CD1-CE3 4.35Å; L626-W646 HydrophobicContact CD1-CZ3 4.01Å; L626-W646 HydrophobicContact CD2-CE3 4.12Å; L626-W646 HydrophobicContact CD2-CZ3 4.42Å; L626-L657 HydrophobicContact CD1-CD2 3.76Å
627	W	98.1	Very high	95.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-68.7	-44.3	179	-90.7	-118.5	0	0	0	111.3	L211 M301 L448 Y555 L582 L623 D625 N629 F630 V631 I659	L211-W627 HydrophobicContact CD2-CB 4.39Å; M301-W627 HydrophobicContact SD-CZ2 3.89Å; M301-W627 PolarHBondContact SD-NE1 2.93Å; M301-W627 VanDerWaalsContact SD-NE1 3.39Å; L448-W627 HydrophobicContact CD2-CD2 3.98Å; L448-W627 HydrophobicContact CD2-CE3 4.4Å; L448-W627 HydrophobicContact CD2-CG 4.34Å; L448-W627 HydrophobicContact CD2-CZ2 4.22Å; Y555-W627 AromaticContact CD1-CH2 3.94Å; Y555-W627 HydrophobicContact CD1-CH2 3.94Å; Y555-W627 HydrophobicContact CD1-CZ2 4.34Å; Y555-W627 AromaticContact CE1-CH2 3.53Å; Y555-W627 HydrophobicContact CE1-CH2 3.53Å; Y555-W627 AromaticContact CE1-CZ2 3.53Å; Y555-W627 HydrophobicContact CE1-CZ2 3.53Å; Y555-W627 HydrophobicContact CE2-CH2 4.29Å; Y555-W627 HydrophobicContact CG-CH2 4.48Å; Y555-W627 AromaticContact CZ-CH2 3.74Å; Y555-W627 AromaticContact CZ-CZ2 3.74Å; L582-W627 HydrophobicContact CD1-CB 3.84Å; L582-W627 HydrophobicContact CD1-CD2 3.65Å; L582-W627 HydrophobicContact CD1-CE3 4.31Å; L582-W627 HydrophobicContact CD1-CG 3.4Å; L582-W627 VanDerWaalsContact CD1-CG 3.4Å; L582-W627 HydrophobicContact CD2-CG 4.49Å; L623-W627 HydrophobicContact CB-CE3 4.42Å; L623-W627 HydrophobicContact CB-CZ3 4.49Å; L623-W627 HydrophobicContact CD2-CE3 4.36Å; L623-W627 HydrophobicContact CD2-CH2 4.08Å; L623-W627 HydrophobicContact CD2-CZ3 3.63Å; L623-W627 WeakPolarHBondContact O-CB 3.43Å; L623-W627 VanDerWaalsContact O-CE3 3.26Å; L623-W627 PolarHBondContact O-N 3.27Å; D625-W627 PolarHBondContact O-N 2.84Å; W627-N629 VanDerWaalsContact C-N 3.31Å; W627-N629 PolarHBondContact O-N 3.12Å; W627-F630 PolarHBondContact O-N 3.08Å; W627-V631 VanDerWaalsContact O-CG2 3.27Å; W627-V631 WeakPolarHBondContact O-CG2 3.3Å; W627-V631 PolarHBondContact O-N 3.1Å; W627-I659 HydrophobicContact CH2-CD1 4.4Å; W627-I659 HydrophobicContact CZ3-CD1 4.42Å
628	A	96.7	Very high	96.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-39.7	178.2	0	0	0	0	0	112.3	K214 L216 L624 D625 V631 K632	K214-A628 HydrophobicContact CB-CB 3.65Å; K214-A628 HydrophobicContact CG-CB 4.09Å; L216-A628 HydrophobicContact CD1-CB 3.87Å; L216-A628 HydrophobicContact CG-CB 4.38Å; L624-A628 WeakPolarHBondContact O-CB 3.48Å; L624-A628 PolarHBondContact O-N 3.27Å; D625-A628 PolarHBondContact O-N 3.29Å; A628-V631 PolarHBondContact O-N 3.32Å; A628-K632 WeakPolarHBondContact O-CB 3.3Å; A628-K632 WeakPolarHBondContact O-CD 3.39Å; A628-K632 WeakPolarHBondContact O-CG 3.42Å; A628-K632 PolarHBondContact O-N 2.88Å
629	N	97.5	Very high	96.2	Very high	26 Å²	26	25.9 Å²	25.9	14%	0.139	13%	0.125	C	C	.	.	H	α-helix	trans	-65.1	-44.3	175.3	-74.8	-19.8	0	0	0	111.9	D625 W627 V631 K632 Y633 N635 P636 P638	D625-N629 VanDerWaalsContact O-CB 3.25Å; D625-N629 WeakPolarHBondContact O-CB 3.35Å; D625-N629 PolarHBondContact O-N 3.25Å; D625-N629 PolarHBondContact O-ND2 2.91Å; W627-N629 VanDerWaalsContact C-N 3.31Å; W627-N629 PolarHBondContact O-N 3.12Å; N629-V631 VanDerWaalsContact C-N 3.33Å; N629-V631 PolarHBondContact O-N 3.39Å; N629-K632 PolarHBondContact O-N 3.12Å; N629-Y633 HydrophobicContact CB-CD2 4.16Å; N629-Y633 HydrophobicContact CB-CE2 4.48Å; N629-Y633 WeakPolarHBondContact O-CB 3.31Å; N629-Y633 WeakPolarHBondContact O-CD2 3.38Å; N629-Y633 PolarHBondContact O-N 3.42Å; N629-N635 CarbonylContact C-O 3.51Å; N629-P636 WeakPolarHBondContact CB-O 3.24Å; N629-P636 PolarHBondContact ND2-O 3.26Å; N629-P636 VanDerWaalsContact ND2-O 3.13Å; N629-P638 HydrophobicContact CB-CG 4.34Å
630	F	98.5	Very high	96.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-46.8	175.9	179	-98.3	0	0	0	111.4	T269 Q297 I299 P446 L448 Y553 L626 W627 K632 Y633 G634 N635 P636	T269-F630 HydrophobicContact CG2-CE1 4.36Å; Q297-F630 HydrophobicContact CB-CE1 4.29Å; Q297-F630 PolarHBondContact NE2-O 3.17Å; Q297-F630 PolarHBondContact OE1-O 3.23Å; I299-F630 HydrophobicContact CD1-CD1 3.81Å; I299-F630 HydrophobicContact CD1-CE1 4.17Å; I299-F630 HydrophobicContact CG1-CD1 3.76Å; I299-F630 HydrophobicContact CG1-CE1 3.6Å; P446-F630 HydrophobicContact CB-CE2 4.21Å; P446-F630 HydrophobicContact CB-CZ 4.02Å; L448-F630 HydrophobicContact CB-CD1 3.89Å; L448-F630 HydrophobicContact CB-CD2 3.98Å; L448-F630 HydrophobicContact CB-CE1 3.75Å; L448-F630 HydrophobicContact CB-CE2 3.85Å; L448-F630 HydrophobicContact CB-CG 4Å; L448-F630 HydrophobicContact CB-CZ 3.73Å; L448-F630 HydrophobicContact CD2-CB 4.26Å; L448-F630 HydrophobicContact CD2-CD1 4.23Å; L448-F630 HydrophobicContact CD2-CG 4.13Å; L448-F630 VanDerWaalsContact N-CZ 3.34Å; Y553-F630 HydrophobicContact CD2-CD2 4.1Å; Y553-F630 HydrophobicContact CD2-CE2 4.01Å; Y553-F630 HydrophobicContact CE2-CD2 4.35Å; Y553-F630 HydrophobicContact CE2-CE2 4.36Å; L626-F630 PolarHBondContact O-N 2.99Å; W627-F630 PolarHBondContact O-N 3.08Å; F630-K632 VanDerWaalsContact C-N 3.31Å; F630-K632 PolarHBondContact O-N 3.43Å; F630-Y633 PolarHBondContact O-N 3.15Å; F630-G634 WeakPolarHBondContact O-CA 3.32Å; F630-G634 PolarHBondContact O-N 3Å; F630-N635 PolarHBondContact N-O 3.04Å; F630-P636 HydrophobicContact CB-CB 4.49Å; F630-P636 HydrophobicContact CB-CG 4.14Å; F630-P636 HydrophobicContact CD2-CG 4.13Å
631	V	98.4	Very high	96	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-37.4	179.5	175	0	0	0	0	111.9	P188 I190 L216 T269 Q297 I299 W627 A628 N629	P188-V631 HydrophobicContact CB-CG1 3.75Å; I190-V631 HydrophobicContact CD1-CG2 3.87Å; I190-V631 HydrophobicContact CG1-CB 4.42Å; I190-V631 HydrophobicContact CG1-CG1 3.95Å; I190-V631 HydrophobicContact CG1-CG2 3.68Å; L216-V631 HydrophobicContact CD2-CB 4.23Å; L216-V631 HydrophobicContact CD2-CG1 3.92Å; T269-V631 HydrophobicContact CG2-CG2 4.14Å; Q297-V631 PolarHBondContact OE1-O 2.89Å; I299-V631 HydrophobicContact CD1-CG2 3.96Å; W627-V631 VanDerWaalsContact O-CG2 3.27Å; W627-V631 WeakPolarHBondContact O-CG2 3.3Å; W627-V631 PolarHBondContact O-N 3.1Å; A628-V631 PolarHBondContact O-N 3.32Å; N629-V631 VanDerWaalsContact C-N 3.33Å; N629-V631 PolarHBondContact O-N 3.39Å
632	K	96.5	Very high	95.9	Very high	56 Å²	56	34.7 Å²	34.7	24%	0.243	17%	0.169	C	C	.	.	H	α-helix	trans	-74.3	-39.1	179.1	-72.5	167.8	-176.8	179.4	0	113.8	P188 K214 L216 A628 N629 F630	P188-K632 HydrophobicContact CG-CB 4.47Å; P188-K632 HydrophobicContact CG-CG 3.99Å; K214-K632 VanDerWaalsContact O-CE 3.25Å; K214-K632 WeakPolarHBondContact O-CE 3.31Å; K214-K632 PolarHBondContact O-NZ 3.15Å; L216-K632 HydrophobicContact CD2-CD 4.45Å; L216-K632 HydrophobicContact CD2-CG 3.94Å; A628-K632 WeakPolarHBondContact O-CB 3.3Å; A628-K632 WeakPolarHBondContact O-CD 3.39Å; A628-K632 WeakPolarHBondContact O-CG 3.42Å; A628-K632 PolarHBondContact O-N 2.88Å; N629-K632 PolarHBondContact O-N 3.12Å; F630-K632 VanDerWaalsContact C-N 3.31Å; F630-K632 PolarHBondContact O-N 3.43Å
633	Y	96.2	Very high	95.7	Very high	143 Å²	143	41.6 Å²	41.6	56%	0.561	21%	0.206	S	C	*	.	H	α-helix	trans	-125.2	-10.6	-162.4	-50.1	-61.8	0	0	0	114.2	N629 F630 N635 P638	N629-Y633 HydrophobicContact CB-CD2 4.16Å; N629-Y633 HydrophobicContact CB-CE2 4.48Å; N629-Y633 WeakPolarHBondContact O-CB 3.31Å; N629-Y633 WeakPolarHBondContact O-CD2 3.38Å; N629-Y633 PolarHBondContact O-N 3.42Å; F630-Y633 PolarHBondContact O-N 3.15Å; Y633-N635 PolarHBondContact O-N 2.92Å; Y633-P638 HydrophobicContact CD2-CB 4.14Å; Y633-P638 HydrophobicContact CD2-CG 3.64Å; Y633-P638 HydrophobicContact CE2-CG 3.93Å; Y633-P638 HydrophobicContact CG-CB 4.46Å; Y633-P638 HydrophobicContact CG-CG 4.44Å
634	G	96.7	Very high	95.6	Very high	8 Å²	8	43 Å²	43	8%	0.082	21%	0.213	C	C	.	.	S	Bend	trans	66.1	21.4	-166.8	0	0	0	0	0	112.4	Q297 S551 F630	Q297-G634 VanDerWaalsContact NE2-CA 3.25Å; S551-G634 PolarHBondContact OG-O 3.44Å; F630-G634 WeakPolarHBondContact O-CA 3.32Å; F630-G634 PolarHBondContact O-N 3Å
635	N	97.5	Very high	95.7	Very high	37 Å²	37	47.8 Å²	47.8	20%	0.198	23%	0.234	C	C	.	.			trans	-146.6	120.6	178.9	-178.1	-20.6	0	0	0	108.2	Y553 N629 F630 Y633 T637 P638	Y553-N635 PolarHBondContact OH-OD1 3.49Å; N629-N635 CarbonylContact C-O 3.51Å; F630-N635 PolarHBondContact N-O 3.04Å; Y633-N635 PolarHBondContact O-N 2.92Å; N635-T637 PolarHBondContact O-N 3.28Å; N635-T637 WeakPolarHBondContact OD1-CA 3.44Å; N635-T637 PolarHBondContact OD1-N 3.11Å; N635-T637 PolarHBondContact OD1-O 2.99Å; N635-P638 WeakPolarHBondContact O-CD 3.26Å
636	P	98.1	Very high	95.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-66.6	-23.5	179.5	-18.9	30.8	0	0	0	113.9	L448 Y553 L626 N629 F630 W646	L448-P636 HydrophobicContact CD1-CG 4.43Å; Y553-P636 HydrophobicContact CD1-CG 4.02Å; Y553-P636 HydrophobicContact CD2-CG 3.93Å; Y553-P636 HydrophobicContact CE1-CG 4.29Å; Y553-P636 HydrophobicContact CE2-CG 4.21Å; Y553-P636 HydrophobicContact CG-CG 3.82Å; L626-P636 HydrophobicContact CB-CB 4.31Å; L626-P636 HydrophobicContact CD2-CB 4.02Å; L626-P636 WeakPolarHBondContact O-CA 3.42Å; N629-P636 WeakPolarHBondContact CB-O 3.24Å; N629-P636 PolarHBondContact ND2-O 3.26Å; N629-P636 VanDerWaalsContact ND2-O 3.13Å; F630-P636 HydrophobicContact CB-CB 4.49Å; F630-P636 HydrophobicContact CB-CG 4.14Å; F630-P636 HydrophobicContact CD2-CG 4.13Å; P636-W646 HydrophobicContact CB-CD2 4.35Å; P636-W646 HydrophobicContact CB-CE3 3.51Å; P636-W646 HydrophobicContact CB-CZ3 3.86Å; P636-W646 HydrophobicContact CG-CD2 4.21Å; P636-W646 HydrophobicContact CG-CE3 3.72Å; P636-W646 HydrophobicContact CG-CZ3 3.97Å
637	T	97.5	Very high	95.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.			trans	-131.1	64.9	-177.5	57.8	0	0	0	0	110.5	L626 N635 Q639 V641 K645 W646	L626-T637 HydrophobicContact CD2-CG2 3.65Å; N635-T637 PolarHBondContact O-N 3.28Å; N635-T637 WeakPolarHBondContact OD1-CA 3.44Å; N635-T637 PolarHBondContact OD1-N 3.11Å; N635-T637 PolarHBondContact OD1-O 2.99Å; T637-Q639 CarbonylContact C-O 3.49Å; T637-Q639 VanDerWaalsContact CA-O 3.3Å; T637-Q639 WeakPolarHBondContact CA-O 3.17Å; T637-Q639 WeakPolarHBondContact CB-O 3.24Å; T637-Q639 PolarHBondContact O-N 3.46Å; T637-V641 HydrophobicContact CG2-CB 4.26Å; T637-V641 HydrophobicContact CG2-CG2 4.1Å; T637-K645 WeakPolarHBondContact O-CE 3.49Å; T637-K645 PolarHBondContact O-NZ 2.96Å; T637-W646 HydrophobicContact CG2-CB 3.81Å; T637-W646 WeakPolarHBondContact OG1-CB 3.48Å; T637-W646 PolarHBondContact OG1-N 2.98Å
638	P	95.8	Very high	95.7	Very high	51 Å²	51	50.7 Å²	50.7	33%	0.331	25%	0.252	S	S	.	.	S	Bend	trans	-56.8	-37.8	175.4	27.6	-35.8	0	0	0	110.2	N629 Y633 N635 K645	N629-P638 HydrophobicContact CB-CG 4.34Å; Y633-P638 HydrophobicContact CD2-CB 4.14Å; Y633-P638 HydrophobicContact CD2-CG 3.64Å; Y633-P638 HydrophobicContact CE2-CG 3.93Å; Y633-P638 HydrophobicContact CG-CB 4.46Å; Y633-P638 HydrophobicContact CG-CG 4.44Å; N635-P638 WeakPolarHBondContact O-CD 3.26Å; P638-K645 PolarHBondContact O-NZ 3.25Å
639	Q	92.7	Very high	95.8	Very high	156 Å²	156	50.8 Å²	50.8	73%	0.729	25%	0.252	S	S	*	.	S	Bend	trans	-117.6	169.1	162.8	-59.3	179.9	9.1	0	0	108.9	T637 V641	T637-Q639 CarbonylContact C-O 3.49Å; T637-Q639 VanDerWaalsContact CA-O 3.3Å; T637-Q639 WeakPolarHBondContact CA-O 3.17Å; T637-Q639 WeakPolarHBondContact CB-O 3.24Å; T637-Q639 PolarHBondContact O-N 3.46Å; Q639-V641 PolarHBondContact O-N 3.16Å
640	N	93.2	Very high	95.7	Very high	104 Å²	104	54.4 Å²	54.4	56%	0.556	27%	0.267	S	S	*	.			trans	-61	131.1	176.9	-69.8	2.1	0	0	0	110.1	I644	N640-I644 WeakPolarHBondContact CA-O 3.43Å
641	V	92.7	Very high	95.2	Very high	16 Å²	16	59.6 Å²	59.6	10%	0.097	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-113.2	117.4	173.8	-177.2	0	0	0	0	106.9	Y622 D625 L626 T637 Q639 N643 I644	Y622-V641 HydrophobicContact CD2-CG1 3.84Å; Y622-V641 HydrophobicContact CE2-CB 4.34Å; Y622-V641 HydrophobicContact CE2-CG1 3.79Å; D625-V641 HydrophobicContact CB-CG1 4Å; L626-V641 HydrophobicContact CD2-CB 4.26Å; L626-V641 HydrophobicContact CD2-CG1 4.4Å; L626-V641 HydrophobicContact CD2-CG2 4.44Å; T637-V641 HydrophobicContact CG2-CB 4.26Å; T637-V641 HydrophobicContact CG2-CG2 4.1Å; Q639-V641 PolarHBondContact O-N 3.16Å; V641-N643 VanDerWaalsContact C-N 3.28Å; V641-N643 PolarHBondContact O-N 2.59Å; V641-I644 PolarHBondContact N-O 2.99Å; V641-I644 PolarHBondContact O-N 3.33Å
642	K	88.9	Confident	94.9	Very high	85 Å²	85	64.5 Å²	64.5	37%	0.37	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	47.7	-172.9	-58.8	-169.1	-178.2	-173.3	0	113.1	N618 Y622 I644	N618-K642 PolarHBondContact O-NZ 3.19Å; Y622-K642 HydrophobicContact CD2-CB 4.33Å; Y622-K642 HydrophobicContact CD2-CD 3.68Å; Y622-K642 HydrophobicContact CD2-CG 3.97Å; Y622-K642 HydrophobicContact CE2-CB 4.13Å; Y622-K642 HydrophobicContact CE2-CD 4.27Å; Y622-K642 HydrophobicContact CE2-CG 4.26Å; Y622-K642 HydrophobicContact CG-CD 4.1Å; K642-I644 PolarHBondContact O-N 3.19Å; K642-I644 VanDerWaalsContact O-N 3.13Å
643	N	91.2	Very high	94.7	Very high	150 Å²	150	67.5 Å²	67.5	80%	0.802	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	9.6	-178.5	-54.8	-39.7	0	0	0	115.9	V641	V641-N643 VanDerWaalsContact C-N 3.28Å; V641-N643 PolarHBondContact O-N 2.59Å
644	I	95.1	Very high	94.7	Very high	31 Å²	31	61.4 Å²	61.4	16%	0.159	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-101.3	131.1	174.7	-63.5	-65	0	0	0	109.9	N640 V641 K642 L657 I665	N640-I644 WeakPolarHBondContact CA-O 3.43Å; V641-I644 PolarHBondContact N-O 2.99Å; V641-I644 PolarHBondContact O-N 3.33Å; K642-I644 PolarHBondContact O-N 3.19Å; K642-I644 VanDerWaalsContact O-N 3.13Å; I644-L657 HydrophobicContact CG2-CD1 3.97Å; I644-I665 HydrophobicContact CG2-CD1 3.95Å; I644-I665 HydrophobicContact CG2-CG1 4.32Å
645	K	96.7	Very high	94.7	Very high	101 Å²	101	61 Å²	61	44%	0.439	31%	0.311	S	S	.	.			trans	-105.4	116.4	160.6	-173.7	70.1	175.5	-175.1	0	107.2	T637 P638 P647	T637-K645 WeakPolarHBondContact O-CE 3.49Å; T637-K645 PolarHBondContact O-NZ 2.96Å; P638-K645 PolarHBondContact O-NZ 3.25Å; K645-P647 WeakPolarHBondContact O-CD 3.39Å
646	W	97.2	Very high	94.8	Very high	3 Å²	3	60.2 Å²	60.2	1%	0.011	31%	0.305	C	S	.	.			trans	-85.9	110.4	-179.6	-165.2	-14.7	0	0	0	109.3	L448 Y553 F554 Y555 L626 P636 T637 L657 I665	L448-W646 HydrophobicContact CD1-CH2 3.48Å; L448-W646 VanDerWaalsContact CD1-CH2 3.48Å; L448-W646 HydrophobicContact CD1-CZ2 3.9Å; L448-W646 HydrophobicContact CD1-CZ3 4.15Å; Y553-W646 HydrophobicContact CD1-CB 4.48Å; Y553-W646 AromaticContact CD1-CD1 3.71Å; Y553-W646 HydrophobicContact CD1-CD2 4.12Å; Y553-W646 AromaticContact CD1-CG 3.87Å; Y553-W646 HydrophobicContact CD1-CG 3.87Å; Y553-W646 AromaticContact CD1-NE1 3.85Å; Y553-W646 HydrophobicContact CE1-CG 4.39Å; Y553-W646 WeakPolarHBondContact CE1-O 3.25Å; F554-W646 VanDerWaalsContact O-CZ2 3.24Å; F554-W646 WeakPolarHBondContact O-CZ2 3.44Å; F554-W646 PolarHBondContact O-NE1 3.18Å; Y555-W646 HydrophobicContact CD1-CH2 4.08Å; Y555-W646 HydrophobicContact CD1-CZ2 4.5Å; Y555-W646 HydrophobicContact CG-CH2 4.28Å; L626-W646 HydrophobicContact CB-CZ3 4.46Å; L626-W646 HydrophobicContact CD1-CE3 4.35Å; L626-W646 HydrophobicContact CD1-CZ3 4.01Å; L626-W646 HydrophobicContact CD2-CE3 4.12Å; L626-W646 HydrophobicContact CD2-CZ3 4.42Å; P636-W646 HydrophobicContact CB-CD2 4.35Å; P636-W646 HydrophobicContact CB-CE3 3.51Å; P636-W646 HydrophobicContact CB-CZ3 3.86Å; P636-W646 HydrophobicContact CG-CD2 4.21Å; P636-W646 HydrophobicContact CG-CE3 3.72Å; P636-W646 HydrophobicContact CG-CZ3 3.97Å; T637-W646 HydrophobicContact CG2-CB 3.81Å; T637-W646 WeakPolarHBondContact OG1-CB 3.48Å; T637-W646 PolarHBondContact OG1-N 2.98Å; W646-L657 HydrophobicContact CD2-CB 3.77Å; W646-L657 HydrophobicContact CD2-CD2 3.88Å; W646-L657 HydrophobicContact CD2-CG 4.42Å; W646-L657 VanDerWaalsContact CE2-CB 3.43Å; W646-L657 HydrophobicContact CE3-CB 4.21Å; W646-L657 HydrophobicContact CE3-CD2 3.47Å; W646-L657 VanDerWaalsContact CE3-CD2 3.47Å; W646-L657 HydrophobicContact CE3-CG 4.46Å; W646-L657 HydrophobicContact CG-CB 4.28Å; W646-L657 HydrophobicContact CH2-CB 4.09Å; W646-L657 HydrophobicContact CH2-CD2 3.94Å; W646-L657 HydrophobicContact CZ2-CB 3.64Å; W646-L657 HydrophobicContact CZ2-CD2 4.32Å; W646-L657 HydrophobicContact CZ3-CB 4.36Å; W646-L657 HydrophobicContact CZ3-CD2 3.51Å; W646-I665 HydrophobicContact CG-CD1 4.48Å
647	P	96.8	Very high	94.8	Very high	41 Å²	41	60.2 Å²	60.2	27%	0.266	31%	0.305	S	S	.	.			trans	-70.7	157.3	174.7	30.8	-36.6	0	0	0	111.5	Y553 K645 A655 I665	Y553-P647 WeakPolarHBondContact CD1-O 3.36Å; K645-P647 WeakPolarHBondContact O-CD 3.39Å; P647-A655 HydrophobicContact CB-CB 4.28Å; P647-A655 HydrophobicContact CG-CB 3.48Å; P647-A655 VanDerWaalsContact CG-CB 3.48Å; P647-I665 HydrophobicContact CG-CG2 3.99Å
648	N	96.9	Very high	94.8	Very high	54 Å²	54	60.7 Å²	60.7	29%	0.289	31%	0.307	S	S	.	.			trans	-66.4	142.6	170.3	-67	-58.7	0	0	0	110	P550 V552 Y553 K650	P550-N648 VanDerWaalsContact O-CG 3.3Å; P550-N648 PolarHBondContact O-ND2 2.91Å; P550-N648 PolarHBondContact O-OD1 2.74Å; V552-N648 CarbonylContact O-C 3.16Å; V552-N648 WeakPolarHBondContact O-CA 3.27Å; Y553-N648 WeakPolarHBondContact CE1-OD1 3.49Å; Y553-N648 WeakPolarHBondContact CE2-OD1 3.42Å; Y553-N648 PolarHBondContact OH-OD1 3.46Å; Y553-N648 VanDerWaalsContact OH-OD1 3.06Å; N648-K650 HydrophobicContact CB-CG 4.45Å; N648-K650 PolarHBondContact O-N 3.03Å
649	F	97.8	Very high	95	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.009	29%	0.291	C	S	.	.			trans	-66.3	114.9	164.6	-173.3	-79.1	0	0	0	109.2	V542 K543 V552 F554 E654	V542-F649 HydrophobicContact CG1-CB 4.12Å; V542-F649 HydrophobicContact CG1-CD1 3.41Å; V542-F649 VanDerWaalsContact CG1-CD1 3.41Å; V542-F649 HydrophobicContact CG1-CD2 3.78Å; V542-F649 HydrophobicContact CG1-CE1 3.64Å; V542-F649 HydrophobicContact CG1-CE2 3.97Å; V542-F649 HydrophobicContact CG1-CG 3.48Å; V542-F649 VanDerWaalsContact CG1-CG 3.48Å; V542-F649 HydrophobicContact CG1-CZ 3.9Å; K543-F649 HydrophobicContact CG-CE1 4.12Å; K543-F649 HydrophobicContact CG-CZ 4.19Å; V552-F649 HydrophobicContact CG1-CB 4.24Å; V552-F649 PolarHBondContact O-N 2.62Å; F554-F649 HydrophobicContact CB-CD2 3.75Å; F554-F649 HydrophobicContact CB-CE2 4.39Å; F554-F649 HydrophobicContact CB-CG 4.43Å; F649-E654 HydrophobicContact CD2-CB 4.49Å; F649-E654 HydrophobicContact CE1-CG 4.15Å; F649-E654 HydrophobicContact CE2-CB 3.78Å; F649-E654 HydrophobicContact CE2-CG 4.18Å; F649-E654 HydrophobicContact CZ-CB 3.83Å; F649-E654 HydrophobicContact CZ-CG 3.69Å
650	K	94.9	Very high	95.1	Very high	102 Å²	102	54.1 Å²	54.1	44%	0.443	27%	0.272	S	S	.	.			trans	-145.5	143.7	173.9	-74.2	-165.4	173.9	-173.4	0	110.7	N648 E653 E654	N648-K650 HydrophobicContact CB-CG 4.45Å; N648-K650 PolarHBondContact O-N 3.03Å; K650-E653 PolarHBondContact O-N 2.94Å; K650-E654 PolarHBondContact O-N 2.92Å
651	Q	88.8	Confident	95.1	Very high	109 Å²	109	53.1 Å²	53.1	51%	0.509	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	139.1	169.8	-62.6	-171	-50.6	0	0	110.3	E654	Q651-E654 HydrophobicContact CG-CG 3.97Å; Q651-E654 WeakPolarHBondContact CG-OE1 3.39Å; Q651-E654 PolarHBondContact NE2-OE1 3.44Å
652	P	91.7	Very high	95.2	Very high	105 Å²	105	58.9 Å²	58.9	68%	0.682	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.6	-15.1	8.5	34.7	-35.5	0	0	0	115.1	E654 H668	P652-E654 PolarHBondContact O-N 2.79Å; P652-H668 PolarHBondContact O-CE1 3.39Å; P652-H668 PolarHBondContact O-ND1 2.67Å
653	E	92.4	Very high	95.6	Very high	119 Å²	119	55.8 Å²	55.8	56%	0.556	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-37.2	-169	-64.9	172.4	-175.7	0	0	114.2	K650 A655 Y667	K650-E653 PolarHBondContact O-N 2.94Å; E653-A655 VanDerWaalsContact C-N 3.26Å; E653-A655 PolarHBondContact O-N 3.09Å; E653-Y667 WeakPolarHBondContact O-CD1 3.44Å
654	E	95.4	Very high	95.9	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.075	26%	0.26	C	S	.	.			trans	48.7	45.5	177.4	-62.9	-176.5	161.8	0	0	113	K543 F649 K650 Q651 P652 H668	K543-E654 WeakPolarHBondContact CE-OE1 3.49Å; F649-E654 HydrophobicContact CD2-CB 4.49Å; F649-E654 HydrophobicContact CE1-CG 4.15Å; F649-E654 HydrophobicContact CE2-CB 3.78Å; F649-E654 HydrophobicContact CE2-CG 4.18Å; F649-E654 HydrophobicContact CZ-CB 3.83Å; F649-E654 HydrophobicContact CZ-CG 3.69Å; K650-E654 PolarHBondContact O-N 2.92Å; Q651-E654 HydrophobicContact CG-CG 3.97Å; Q651-E654 WeakPolarHBondContact CG-OE1 3.39Å; Q651-E654 PolarHBondContact NE2-OE1 3.44Å; P652-E654 PolarHBondContact O-N 2.79Å; E654-H668 PolarHBondContact O-N 2.89Å; E654-H668 VanDerWaalsContact O-N 3.14Å; E654-H668 IonicContact OE2-ND1 2.73Å
655	A	97.9	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	138.8	-179	0	0	0	0	0	112	P647 E653 I665 K666 Y667	P647-A655 HydrophobicContact CB-CB 4.28Å; P647-A655 HydrophobicContact CG-CB 3.48Å; P647-A655 VanDerWaalsContact CG-CB 3.48Å; E653-A655 VanDerWaalsContact C-N 3.26Å; E653-A655 PolarHBondContact O-N 3.09Å; A655-I665 HydrophobicContact CB-CG2 4.26Å; A655-K666 CarbonylContact C-O 3.54Å; A655-K666 WeakPolarHBondContact CA-O 3.24Å; A655-Y667 HydrophobicContact CB-CD1 3.71Å; A655-Y667 HydrophobicContact CB-CE1 3.66Å
656	Y	98.4	Very high	96.1	Very high	20 Å²	20	49.6 Å²	49.6	8%	0.078	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.2	176.3	73.5	-85	0	0	0	111.5	F554 E556 H658 K666 Y669	F554-Y656 HydrophobicContact CD1-CG 4.27Å; F554-Y656 CarbonylContact O-C 3.43Å; F554-Y656 WeakPolarHBondContact O-CA 3.26Å; F554-Y656 VanDerWaalsContact O-CB 3.26Å; F554-Y656 WeakPolarHBondContact O-CB 3.16Å; E556-Y656 HydrophobicContact CB-CD2 4.3Å; E556-Y656 HydrophobicContact CB-CE2 4.11Å; Y656-H658 HydrophobicContact CE2-CB 4.22Å; Y656-K666 HydrophobicContact CD1-CB 4.09Å; Y656-K666 WeakPolarHBondContact CD1-O 3.38Å; Y656-K666 HydrophobicContact CD2-CB 4.43Å; Y656-K666 HydrophobicContact CE1-CB 3.44Å; Y656-K666 VanDerWaalsContact CE1-CB 3.44Å; Y656-K666 HydrophobicContact CE2-CB 3.83Å; Y656-K666 HydrophobicContact CE2-CD 4.26Å; Y656-K666 PolarHBondContact N-O 2.86Å; Y656-K666 PolarHBondContact O-N 3.4Å; Y656-K666 WeakPolarHBondContact OH-CB 3.44Å; Y656-K666 WeakPolarHBondContact OH-CD 3.39Å; Y656-Y669 HydrophobicContact CD1-CD2 4.35Å; Y656-Y669 HydrophobicContact CD2-CD2 4.15Å; Y656-Y669 AromaticContact CE1-CD2 3.94Å; Y656-Y669 HydrophobicContact CE1-CD2 3.94Å; Y656-Y669 HydrophobicContact CE1-CG 4.47Å; Y656-Y669 AromaticContact CE2-CD2 3.75Å; Y656-Y669 HydrophobicContact CE2-CD2 3.75Å; Y656-Y669 HydrophobicContact CE2-CE2 4.29Å; Y656-Y669 HydrophobicContact CG-CD2 4.44Å; Y656-Y669 AromaticContact CZ-CD2 3.63Å
657	L	98.6	Very high	96.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.4	175.3	179.8	65.7	0	0	0	109.6	F554 Y555 E556 Y622 L626 I644 W646 I659 I665	F554-L657 PolarHBondContact O-N 3.26Å; Y555-L657 CarbonylContact C-O 3.05Å; Y555-L657 WeakPolarHBondContact CA-O 3.29Å; Y555-L657 VanDerWaalsContact CB-O 3.27Å; Y555-L657 WeakPolarHBondContact CB-O 3.17Å; E556-L657 PolarHBondContact N-O 2.7Å; Y622-L657 HydrophobicContact CE1-CD2 4.38Å; L626-L657 HydrophobicContact CD1-CD2 3.76Å; I644-L657 HydrophobicContact CG2-CD1 3.97Å; W646-L657 HydrophobicContact CD2-CB 3.77Å; W646-L657 HydrophobicContact CD2-CD2 3.88Å; W646-L657 HydrophobicContact CD2-CG 4.42Å; W646-L657 VanDerWaalsContact CE2-CB 3.43Å; W646-L657 HydrophobicContact CE3-CB 4.21Å; W646-L657 HydrophobicContact CE3-CD2 3.47Å; W646-L657 VanDerWaalsContact CE3-CD2 3.47Å; W646-L657 HydrophobicContact CE3-CG 4.46Å; W646-L657 HydrophobicContact CG-CB 4.28Å; W646-L657 HydrophobicContact CH2-CB 4.09Å; W646-L657 HydrophobicContact CH2-CD2 3.94Å; W646-L657 HydrophobicContact CZ2-CB 3.64Å; W646-L657 HydrophobicContact CZ2-CD2 4.32Å; W646-L657 HydrophobicContact CZ3-CB 4.36Å; W646-L657 HydrophobicContact CZ3-CD2 3.51Å; L657-I659 HydrophobicContact CD2-CD1 4.06Å; L657-I659 HydrophobicContact CD2-CG1 3.72Å; L657-I659 HydrophobicContact CG-CD1 4.48Å; L657-I659 HydrophobicContact CG-CG1 3.72Å; L657-I665 HydrophobicContact CB-CD1 4.2Å; L657-I665 HydrophobicContact CD1-CD1 3.68Å
658	H	98.6	Very high	96.1	Very high	9 Å²	9	58.3 Å²	58.3	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.6	168.3	-173.4	79.9	0	0	0	108.7	E556 S558 Y656 E660 S663 S664 K666	E556-H658 CarbonylContact O-C 3.53Å; E556-H658 WeakPolarHBondContact O-CA 3.25Å; E556-H658 IonicContact OE2-CE1 3.36Å; E556-H658 PolarHBondContact OE2-CE1 2.95Å; E556-H658 IonicContact OE2-ND1 3.71Å; E556-H658 PolarHBondContact OE2-ND1 3.3Å; S558-H658 PolarHBondContact OG-CE1 3.35Å; Y656-H658 HydrophobicContact CE2-CB 4.22Å; H658-E660 IonicContact CD2-OE1 3.25Å; H658-E660 PolarHBondContact CD2-OE1 3.19Å; H658-E660 IonicContact NE2-OE1 2.58Å; H658-S663 VanDerWaalsContact O-CA 3.26Å; H658-S663 WeakPolarHBondContact O-CA 3.45Å; H658-S663 WeakPolarHBondContact O-CB 3.26Å; H658-S664 PolarHBondContact N-O 3.12Å; H658-S664 PolarHBondContact O-N 3.15Å; H658-K666 HydrophobicContact CB-CD 3.73Å; H658-K666 HydrophobicContact CB-CG 4.1Å; H658-K666 PolarHBondContact CD2-NZ 3.2Å; H658-K666 PolarHBondContact CE1-NZ 3.34Å; H658-K666 VanDerWaalsContact CE1-NZ 3.34Å; H658-K666 PolarHBondContact ND1-NZ 3.15Å; H658-K666 PolarHBondContact NE2-NZ 3.36Å; H658-K666 VanDerWaalsContact NE2-NZ 3.11Å
659	I	98.6	Very high	96.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.2	-171.8	-55.9	175.3	0	0	0	110	Y555 E556 F557 S558 Y622 L623 W627 L657 S663	Y555-I659 HydrophobicContact CD2-CD1 3.74Å; Y555-I659 HydrophobicContact CE2-CD1 4.49Å; Y555-I659 HydrophobicContact CG-CD1 3.93Å; E556-I659 PolarHBondContact O-N 3.34Å; F557-I659 HydrophobicContact CD2-CB 3.94Å; F557-I659 HydrophobicContact CD2-CG2 3.67Å; F557-I659 HydrophobicContact CE2-CG2 3.94Å; S558-I659 PolarHBondContact N-O 3.21Å; Y622-I659 HydrophobicContact CD1-CG2 4.38Å; Y622-I659 HydrophobicContact CE1-CG2 4.43Å; L623-I659 HydrophobicContact CD2-CD1 3.87Å; L623-I659 HydrophobicContact CD2-CG2 4.12Å; W627-I659 HydrophobicContact CH2-CD1 4.4Å; W627-I659 HydrophobicContact CZ3-CD1 4.42Å; L657-I659 HydrophobicContact CD2-CD1 4.06Å; L657-I659 HydrophobicContact CD2-CG1 3.72Å; L657-I659 HydrophobicContact CG-CD1 4.48Å; L657-I659 HydrophobicContact CG-CG1 3.72Å; I659-S663 WeakPolarHBondContact CA-OG 3.3Å
660	E	95.8	Very high	96	Very high	69 Å²	69	58.4 Å²	58.4	32%	0.322	29%	0.285	S	S	.	.	S	Bend	trans	-149.9	-174.8	172.3	61.2	-179.9	146.6	0	0	108.7	H658 N662 S663	H658-E660 IonicContact CD2-OE1 3.25Å; H658-E660 PolarHBondContact CD2-OE1 3.19Å; H658-E660 IonicContact NE2-OE1 2.58Å; E660-N662 PolarHBondContact O-N 3.09Å; E660-S663 PolarHBondContact N-OG 3.36Å; E660-S663 VanDerWaalsContact N-OG 3.15Å; E660-S663 PolarHBondContact O-N 3.15Å; E660-S663 PolarHBondContact O-OG 3.11Å
661	L	93.2	Very high	96	Very high	83 Å²	83	56.5 Å²	56.5	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-39.5	177.7	-73.9	173.1	0	0	0	112.3	Y559 Y615 I619	Y559-L661 HydrophobicContact CD2-CD2 4.35Å; Y559-L661 HydrophobicContact CD2-CG 3.91Å; Y559-L661 HydrophobicContact CE2-CD1 3.95Å; Y559-L661 HydrophobicContact CE2-CD2 3.82Å; Y559-L661 HydrophobicContact CE2-CG 3.63Å; Y615-L661 HydrophobicContact CD1-CD1 3.76Å; Y615-L661 HydrophobicContact CD1-CD2 4.05Å; Y615-L661 HydrophobicContact CE1-CD1 4.41Å; I619-L661 HydrophobicContact CD1-CD2 4.07Å; I619-L661 HydrophobicContact CG1-CD2 3.88Å
662	N	94	Very high	96.3	Very high	138 Å²	138	54.9 Å²	54.9	74%	0.738	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	66.9	172.8	-66.1	-30.8	0	0	0	110	E660	E660-N662 PolarHBondContact O-N 3.09Å
663	S	97.3	Very high	96.6	Very high	19 Å²	19	50.9 Å²	50.9	13%	0.133	26%	0.259	C	S	.	.			trans	-55.9	143.9	-178.2	-64.6	0	0	0	0	112.5	Y622 H658 I659 E660	Y622-S663 VanDerWaalsContact CE1-OG 3.3Å; Y622-S663 WeakPolarHBondContact CE1-OG 3.11Å; H658-S663 VanDerWaalsContact O-CA 3.26Å; H658-S663 WeakPolarHBondContact O-CA 3.45Å; H658-S663 WeakPolarHBondContact O-CB 3.26Å; I659-S663 WeakPolarHBondContact CA-OG 3.3Å; E660-S663 PolarHBondContact N-OG 3.36Å; E660-S663 VanDerWaalsContact N-OG 3.15Å; E660-S663 PolarHBondContact O-N 3.15Å; E660-S663 PolarHBondContact O-OG 3.11Å
664	S	97.3	Very high	96.8	Very high	40 Å²	40	45.2 Å²	45.2	28%	0.28	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.8	-175.8	57.3	0	0	0	0	112.4	H658	H658-S664 PolarHBondContact N-O 3.12Å; H658-S664 PolarHBondContact O-N 3.15Å
665	I	98.2	Very high	96.8	Very high	41 Å²	41	46.2 Å²	46.2	21%	0.21	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128	171.6	-57.6	-55.1	0	0	0	109	I644 W646 P647 A655 L657 Y667	I644-I665 HydrophobicContact CG2-CD1 3.95Å; I644-I665 HydrophobicContact CG2-CG1 4.32Å; W646-I665 HydrophobicContact CG-CD1 4.48Å; P647-I665 HydrophobicContact CG-CG2 3.99Å; A655-I665 HydrophobicContact CB-CG2 4.26Å; L657-I665 HydrophobicContact CB-CD1 4.2Å; L657-I665 HydrophobicContact CD1-CD1 3.68Å; I665-Y667 HydrophobicContact CG2-CE1 4.32Å; I665-Y667 HydrophobicContact CG2-CE2 4.32Å
666	K	98.1	Very high	96.7	Very high	72 Å²	72	46.4 Å²	46.4	31%	0.313	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	172.4	173.8	-66.3	-175.6	-174.5	169.4	0	109.2	A655 Y656 H658	A655-K666 CarbonylContact C-O 3.54Å; A655-K666 WeakPolarHBondContact CA-O 3.24Å; Y656-K666 HydrophobicContact CD1-CB 4.09Å; Y656-K666 WeakPolarHBondContact CD1-O 3.38Å; Y656-K666 HydrophobicContact CD2-CB 4.43Å; Y656-K666 HydrophobicContact CE1-CB 3.44Å; Y656-K666 VanDerWaalsContact CE1-CB 3.44Å; Y656-K666 HydrophobicContact CE2-CB 3.83Å; Y656-K666 HydrophobicContact CE2-CD 4.26Å; Y656-K666 PolarHBondContact N-O 2.86Å; Y656-K666 PolarHBondContact O-N 3.4Å; Y656-K666 WeakPolarHBondContact OH-CB 3.44Å; Y656-K666 WeakPolarHBondContact OH-CD 3.39Å; H658-K666 HydrophobicContact CB-CD 3.73Å; H658-K666 HydrophobicContact CB-CG 4.1Å; H658-K666 PolarHBondContact CD2-NZ 3.2Å; H658-K666 PolarHBondContact CE1-NZ 3.34Å; H658-K666 VanDerWaalsContact CE1-NZ 3.34Å; H658-K666 PolarHBondContact ND1-NZ 3.15Å; H658-K666 PolarHBondContact NE2-NZ 3.36Å; H658-K666 VanDerWaalsContact NE2-NZ 3.11Å
667	Y	97.9	Very high	96.6	Very high	131 Å²	131	46.5 Å²	46.5	51%	0.514	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.6	-173.6	-56.8	-88.4	0	0	0	110.6	E653 A655 I665	E653-Y667 WeakPolarHBondContact O-CD1 3.44Å; A655-Y667 HydrophobicContact CB-CD1 3.71Å; A655-Y667 HydrophobicContact CB-CE1 3.66Å; I665-Y667 HydrophobicContact CG2-CE1 4.32Å; I665-Y667 HydrophobicContact CG2-CE2 4.32Å
668	H	96.1	Very high	96.2	Very high	96 Å²	96	48 Å²	48	44%	0.444	25%	0.251	S	S	.	.	S	Bend	trans	52.6	60.8	173.1	-54.9	-66	0	0	0	113.7	P652 E654 R670 S671	P652-H668 PolarHBondContact O-CE1 3.39Å; P652-H668 PolarHBondContact O-ND1 2.67Å; E654-H668 PolarHBondContact O-N 2.89Å; E654-H668 VanDerWaalsContact O-N 3.14Å; E654-H668 IonicContact OE2-ND1 2.73Å; H668-R670 PolarHBondContact O-N 2.9Å; H668-S671 PolarHBondContact O-N 2.91Å
669	Y	97.8	Very high	95.9	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	111.6	-177.2	-174	-102.8	0	0	0	112.2	V451 K535 F554 E556 Y656 S671 M674	V451-Y669 HydrophobicContact CG2-CE1 4.35Å; K535-Y669 HydrophobicContact CB-CE1 4.24Å; K535-Y669 HydrophobicContact CD-CE1 4.35Å; K535-Y669 WeakPolarHBondContact CD-OH 3.41Å; K535-Y669 VanDerWaalsContact CE-OH 3.3Å; K535-Y669 WeakPolarHBondContact CE-OH 3.25Å; F554-Y669 HydrophobicContact CD1-CG 4.42Å; F554-Y669 AromaticContact CE1-CD1 3.72Å; F554-Y669 HydrophobicContact CE1-CD1 3.72Å; F554-Y669 HydrophobicContact CE1-CD2 4.04Å; F554-Y669 HydrophobicContact CE1-CE1 4.23Å; F554-Y669 AromaticContact CE1-CG 3.61Å; F554-Y669 HydrophobicContact CE1-CG 3.61Å; F554-Y669 HydrophobicContact CZ-CD1 4.21Å; F554-Y669 HydrophobicContact CZ-CE1 4.4Å; E556-Y669 HydrophobicContact CB-CE2 4.01Å; E556-Y669 HydrophobicContact CG-CE2 4.19Å; E556-Y669 VanDerWaalsContact OE1-CE2 3.27Å; E556-Y669 WeakPolarHBondContact OE1-CE2 3.48Å; E556-Y669 PolarHBondContact OE1-OH 3.28Å; Y656-Y669 HydrophobicContact CD1-CD2 4.35Å; Y656-Y669 HydrophobicContact CD2-CD2 4.15Å; Y656-Y669 AromaticContact CE1-CD2 3.94Å; Y656-Y669 HydrophobicContact CE1-CD2 3.94Å; Y656-Y669 HydrophobicContact CE1-CG 4.47Å; Y656-Y669 AromaticContact CE2-CD2 3.75Å; Y656-Y669 HydrophobicContact CE2-CD2 3.75Å; Y656-Y669 HydrophobicContact CE2-CE2 4.29Å; Y656-Y669 HydrophobicContact CG-CD2 4.44Å; Y656-Y669 AromaticContact CZ-CD2 3.63Å; Y669-S671 PolarHBondContact O-N 3.29Å; Y669-M674 HydrophobicContact CD1-CG 4.36Å; Y669-M674 HydrophobicContact CD1-SD 4.34Å; Y669-M674 HydrophobicContact CE1-SD 4.38Å; Y669-M674 WeakPolarHBondContact O-CG 3.29Å
670	R	96.3	Very high	95.6	Very high	56 Å²	56	60.1 Å²	60.1	21%	0.211	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	41.1	41.3	175.9	-62.1	179.3	66.6	87.9	1.7	113.7	D527 D531 H668 S672 D673 M674	D527-R670 IonicContact OD1-CZ 3.54Å; D527-R670 IonicContact OD1-NH1 3.21Å; D527-R670 PolarHBondContact OD1-NH1 3.33Å; D527-R670 IonicContact OD1-NH2 3.55Å; D527-R670 PolarHBondContact OD1-NH2 3.01Å; D527-R670 IonicContact OD2-CZ 3.72Å; D527-R670 IonicContact OD2-NH1 2.77Å; D527-R670 PolarHBondContact OD2-NH1 3.13Å; D527-R670 VanDerWaalsContact OD2-NH1 3.08Å; D527-R670 IonicContact OD2-NH2 3.95Å; D527-R670 PolarHBondContact OD2-NH2 2.92Å; D531-R670 IonicContact OD1-CZ 3.36Å; D531-R670 IonicContact OD1-NE 2.74Å; D531-R670 PolarHBondContact OD1-NE 2.88Å; D531-R670 IonicContact OD1-NH2 2.79Å; D531-R670 PolarHBondContact OD1-NH2 3.29Å; D531-R670 IonicContact OD2-CZ 3.76Å; D531-R670 IonicContact OD2-NE 3.08Å; D531-R670 PolarHBondContact OD2-NE 3.26Å; D531-R670 IonicContact OD2-NH2 3.93Å; D531-R670 PolarHBondContact OD2-NH2 2.94Å; H668-R670 PolarHBondContact O-N 2.9Å; R670-S672 VanDerWaalsContact C-N 3.31Å; R670-S672 PolarHBondContact O-N 3.42Å; R670-S672 VanDerWaalsContact O-N 3.08Å; R670-D673 IonicContact NH2-OD2 3.61Å; R670-D673 PolarHBondContact O-N 3.1Å; R670-M674 HydrophobicContact CB-CE 4.21Å; R670-M674 HydrophobicContact CB-CG 4.13Å; R670-M674 WeakPolarHBondContact O-CG 3.47Å; R670-M674 PolarHBondContact O-N 2.87Å
671	S	94	Very high	95.4	Very high	63 Å²	63	57.4 Å²	57.4	44%	0.441	29%	0.285	S	S	.	.	H	α-helix	trans	-53	-40.2	-162.9	58.2	0	0	0	0	115.1	H668 Y669 A675	H668-S671 PolarHBondContact O-N 2.91Å; Y669-S671 PolarHBondContact O-N 3.29Å; S671-A675 VanDerWaalsContact O-CB 3.24Å; S671-A675 WeakPolarHBondContact O-CB 3.49Å; S671-A675 PolarHBondContact O-N 2.92Å
672	S	95.2	Very high	95	Very high	74 Å²	74	60 Å²	60	52%	0.517	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-44.3	177.3	-174.8	0	0	0	0	112.9	R508 R670 F676	R508-S672 PolarHBondContact NH1-OG 3.36Å; R670-S672 VanDerWaalsContact C-N 3.31Å; R670-S672 PolarHBondContact O-N 3.42Å; R670-S672 VanDerWaalsContact O-N 3.08Å; S672-F676 PolarHBondContact O-N 3.18Å
673	D	97.3	Very high	94.6	Very high	22 Å²	22	59.5 Å²	59.5	12%	0.118	29%	0.288	C	S	.	.	H	α-helix	trans	-75	-39.2	-177.4	-62.3	-44.9	0	0	0	110.7	R508 R670 A675 F676 W677	R508-D673 WeakPolarHBondContact CD-OD1 3.13Å; R508-D673 IonicContact CZ-OD1 3.23Å; R508-D673 IonicContact NH1-OD1 3.24Å; R508-D673 PolarHBondContact NH1-OD1 2.95Å; R670-D673 IonicContact NH2-OD2 3.61Å; R670-D673 PolarHBondContact O-N 3.1Å; D673-A675 PolarHBondContact O-N 3.09Å; D673-F676 WeakPolarHBondContact O-CB 3.45Å; D673-F676 PolarHBondContact O-N 2.79Å; D673-W677 PolarHBondContact O-N 3.3Å; D673-W677 VanDerWaalsContact O-N 3.17Å
674	M	97.2	Very high	94.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-44.9	173.5	-60.8	-57.5	91.4	0	0	111.1	D531 K535 S536 D539 Y669 R670 F676 W677 Q678	D531-M674 HydrophobicContact CB-CE 3.86Å; D531-M674 VanDerWaalsContact OD1-CE 3.31Å; D531-M674 WeakPolarHBondContact OD1-CE 3.34Å; K535-M674 HydrophobicContact CB-CE 4.14Å; K535-M674 HydrophobicContact CB-SD 4.15Å; S536-M674 WeakPolarHBondContact CA-SD 3.39Å; S536-M674 PolarHBondContact OG-O 3.4Å; D539-M674 HydrophobicContact CB-CG 4.27Å; D539-M674 HydrophobicContact CB-SD 3.95Å; Y669-M674 HydrophobicContact CD1-CG 4.36Å; Y669-M674 HydrophobicContact CD1-SD 4.34Å; Y669-M674 HydrophobicContact CE1-SD 4.38Å; Y669-M674 WeakPolarHBondContact O-CG 3.29Å; R670-M674 HydrophobicContact CB-CE 4.21Å; R670-M674 HydrophobicContact CB-CG 4.13Å; R670-M674 WeakPolarHBondContact O-CG 3.47Å; R670-M674 PolarHBondContact O-N 2.87Å; M674-F676 VanDerWaalsContact C-N 3.34Å; M674-F676 PolarHBondContact O-N 3.09Å; M674-W677 PolarHBondContact O-N 3.02Å; M674-Q678 WeakPolarHBondContact O-CB 3.18Å; M674-Q678 WeakPolarHBondContact O-CG 3.33Å; M674-Q678 PolarHBondContact O-N 3.03Å
675	A	94.6	Very high	93.4	Very high	37 Å²	37	57.2 Å²	57.2	31%	0.306	27%	0.271	S	S	.	.	H	α-helix	trans	-63.7	-36.5	176.3	0	0	0	0	0	112.9	S671 D673 Q678 Y679	S671-A675 VanDerWaalsContact O-CB 3.24Å; S671-A675 WeakPolarHBondContact O-CB 3.49Å; S671-A675 PolarHBondContact O-N 2.92Å; D673-A675 PolarHBondContact O-N 3.09Å; A675-Q678 PolarHBondContact O-N 3.41Å; A675-Y679 HydrophobicContact CB-CD2 4.17Å; A675-Y679 HydrophobicContact CB-CE2 4.48Å; A675-Y679 VanDerWaalsContact O-CD2 3.32Å; A675-Y679 WeakPolarHBondContact O-CD2 3.41Å; A675-Y679 PolarHBondContact O-N 3.49Å
676	F	97.1	Very high	92.2	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.018	27%	0.272	C	S	.	.	I	π-helix	trans	-58.1	-53	174.8	165.6	-98.7	0	0	0	111.3	E504 L505 R508 S672 D673 M674 Q678 R680 F681	E504-F676 HydrophobicContact CG-CE2 3.61Å; E504-F676 HydrophobicContact CG-CZ 4.18Å; L505-F676 HydrophobicContact CD2-CE1 3.61Å; L505-F676 HydrophobicContact CD2-CZ 3.69Å; R508-F676 VanDerWaalsContact NE-CG 3.34Å; S672-F676 PolarHBondContact O-N 3.18Å; D673-F676 WeakPolarHBondContact O-CB 3.45Å; D673-F676 PolarHBondContact O-N 2.79Å; M674-F676 VanDerWaalsContact C-N 3.34Å; M674-F676 PolarHBondContact O-N 3.09Å; F676-Q678 VanDerWaalsContact C-N 3.31Å; F676-Q678 PolarHBondContact O-N 3.44Å; F676-R680 HydrophobicContact CD2-CB 3.82Å; F676-R680 HydrophobicContact CD2-CG 3.8Å; F676-R680 HydrophobicContact CE2-CB 4.33Å; F676-R680 HydrophobicContact CE2-CG 3.99Å; F676-R680 CarbonylContact O-C 3.52Å; F676-R680 WeakPolarHBondContact O-CA 3.41Å; F676-R680 WeakPolarHBondContact O-CB 3.13Å; F676-R680 PolarHBondContact O-N 3.44Å; F676-F681 HydrophobicContact CE1-CB 4.23Å; F676-F681 HydrophobicContact CE1-CD2 4.2Å; F676-F681 HydrophobicContact CZ-CB 4.22Å; F676-F681 HydrophobicContact CZ-CD2 4.02Å; F676-F681 PolarHBondContact O-N 2.84Å
677	W	95.4	Very high	90.4	Very high	22 Å²	22	56.7 Å²	56.7	8%	0.083	27%	0.273	C	S	.	.	I	π-helix	trans	-67.4	-31.4	-179.1	-72.2	110.4	0	0	0	113.1	L505 Y509 L528 M532 S536 D673 M674 F681	L505-W677 HydrophobicContact CD2-CH2 3.64Å; L505-W677 HydrophobicContact CD2-CZ2 3.8Å; L505-W677 HydrophobicContact CD2-CZ3 4.48Å; Y509-W677 HydrophobicContact CE2-CZ2 4.15Å; Y509-W677 AromaticContact CZ-NE1 3.9Å; Y509-W677 PolarHBondContact OH-NE1 3.46Å; L528-W677 HydrophobicContact CG-CZ2 4.43Å; M532-W677 HydrophobicContact CB-CD2 4.39Å; M532-W677 HydrophobicContact CB-CE3 4.31Å; M532-W677 HydrophobicContact CB-CH2 3.66Å; M532-W677 HydrophobicContact CB-CZ2 3.74Å; M532-W677 HydrophobicContact CB-CZ3 3.96Å; M532-W677 HydrophobicContact CG-CE3 4.18Å; M532-W677 HydrophobicContact CG-CH2 3.7Å; M532-W677 HydrophobicContact CG-CZ2 4.31Å; M532-W677 HydrophobicContact CG-CZ3 3.63Å; M532-W677 HydrophobicContact SD-CH2 3.83Å; M532-W677 HydrophobicContact SD-CZ3 4.04Å; S536-W677 VanDerWaalsContact OG-CB 3.26Å; S536-W677 WeakPolarHBondContact OG-CB 3.14Å; D673-W677 PolarHBondContact O-N 3.3Å; D673-W677 VanDerWaalsContact O-N 3.17Å; M674-W677 PolarHBondContact O-N 3.02Å; W677-F681 HydrophobicContact CE3-CB 3.91Å; W677-F681 HydrophobicContact CE3-CD1 4.05Å; W677-F681 AromaticContact CE3-CD2 3.84Å; W677-F681 HydrophobicContact CE3-CD2 3.84Å; W677-F681 HydrophobicContact CE3-CE2 4.4Å; W677-F681 AromaticContact CE3-CG 3.64Å; W677-F681 HydrophobicContact CE3-CG 3.64Å; W677-F681 HydrophobicContact CH2-CD2 4.2Å; W677-F681 HydrophobicContact CH2-CE2 4.2Å; W677-F681 HydrophobicContact CZ3-CB 4.37Å; W677-F681 HydrophobicContact CZ3-CD1 4.02Å; W677-F681 AromaticContact CZ3-CD2 3.41Å; W677-F681 HydrophobicContact CZ3-CD2 3.41Å; W677-F681 VanDerWaalsContact CZ3-CD2 3.41Å; W677-F681 HydrophobicContact CZ3-CE1 4.15Å; W677-F681 AromaticContact CZ3-CE2 3.56Å; W677-F681 HydrophobicContact CZ3-CE2 3.56Å; W677-F681 AromaticContact CZ3-CG 3.65Å; W677-F681 HydrophobicContact CZ3-CG 3.65Å; W677-F681 AromaticContact CZ3-CZ 3.93Å; W677-F681 HydrophobicContact CZ3-CZ 3.93Å
678	Q	91.4	Very high	88.3	Confident	30 Å²	30	51.1 Å²	51.1	14%	0.14	25%	0.253	C	S	.	.	I	π-helix	trans	-77	-37.3	-178.2	-75.1	166.8	19.5	0	0	113.8	S536 D539 S540 M674 A675 F676	S536-Q678 PolarHBondContact O-NE2 2.73Å; D539-Q678 PolarHBondContact OD1-NE2 3.37Å; S540-Q678 VanDerWaalsContact OG-CG 3.31Å; S540-Q678 WeakPolarHBondContact OG-CG 3.46Å; S540-Q678 PolarHBondContact OG-NE2 3.29Å; M674-Q678 WeakPolarHBondContact O-CB 3.18Å; M674-Q678 WeakPolarHBondContact O-CG 3.33Å; M674-Q678 PolarHBondContact O-N 3.03Å; A675-Q678 PolarHBondContact O-N 3.41Å; F676-Q678 VanDerWaalsContact C-N 3.31Å; F676-Q678 PolarHBondContact O-N 3.44Å
679	Y	90.5	Very high	86	Confident	151 Å²	151	50.2 Å²	50.2	59%	0.592	26%	0.256	S	S	*	.	I	π-helix	trans	-122.4	-38.4	-169.2	-54.2	-68.9	0	0	0	112.9	A675 E683	A675-Y679 HydrophobicContact CB-CD2 4.17Å; A675-Y679 HydrophobicContact CB-CE2 4.48Å; A675-Y679 VanDerWaalsContact O-CD2 3.32Å; A675-Y679 WeakPolarHBondContact O-CD2 3.41Å; A675-Y679 PolarHBondContact O-N 3.49Å; Y679-E683 WeakPolarHBondContact O-CG 3.49Å
680	R	92.6	Very high	83.5	Confident	114 Å²	114	51.1 Å²	51.1	43%	0.43	26%	0.263	S	S	.	.	I	π-helix	trans	-91	-37.8	-170.6	-178.5	56.9	179.1	160.8	0.9	113.2	F676 E683 L684	F676-R680 HydrophobicContact CD2-CB 3.82Å; F676-R680 HydrophobicContact CD2-CG 3.8Å; F676-R680 HydrophobicContact CE2-CB 4.33Å; F676-R680 HydrophobicContact CE2-CG 3.99Å; F676-R680 CarbonylContact O-C 3.52Å; F676-R680 WeakPolarHBondContact O-CA 3.41Å; F676-R680 WeakPolarHBondContact O-CB 3.13Å; F676-R680 PolarHBondContact O-N 3.44Å; R680-E683 IonicContact NH1-OE2 3.5Å; R680-E683 PolarHBondContact O-N 2.85Å; R680-L684 VanDerWaalsContact O-CB 3.3Å; R680-L684 WeakPolarHBondContact O-CB 3.42Å; R680-L684 PolarHBondContact O-N 2.76Å
681	F	92.5	Very high	80.8	Confident	12 Å²	12	49.1 Å²	49.1	5%	0.053	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-48.4	-173.3	178.6	-98.6	0	0	0	111.9	L490 L493 V495 T501 F676 W677 E683 L684 A685	L490-F681 HydrophobicContact CD2-CE2 4.36Å; L493-F681 HydrophobicContact CD1-CZ 4.32Å; V495-F681 HydrophobicContact CG2-CZ 4.4Å; T501-F681 HydrophobicContact CG2-CD2 4.27Å; T501-F681 HydrophobicContact CG2-CE2 3.81Å; F676-F681 HydrophobicContact CE1-CB 4.23Å; F676-F681 HydrophobicContact CE1-CD2 4.2Å; F676-F681 HydrophobicContact CZ-CB 4.22Å; F676-F681 HydrophobicContact CZ-CD2 4.02Å; F676-F681 PolarHBondContact O-N 2.84Å; W677-F681 HydrophobicContact CE3-CB 3.91Å; W677-F681 HydrophobicContact CE3-CD1 4.05Å; W677-F681 AromaticContact CE3-CD2 3.84Å; W677-F681 HydrophobicContact CE3-CD2 3.84Å; W677-F681 HydrophobicContact CE3-CE2 4.4Å; W677-F681 AromaticContact CE3-CG 3.64Å; W677-F681 HydrophobicContact CE3-CG 3.64Å; W677-F681 HydrophobicContact CH2-CD2 4.2Å; W677-F681 HydrophobicContact CH2-CE2 4.2Å; W677-F681 HydrophobicContact CZ3-CB 4.37Å; W677-F681 HydrophobicContact CZ3-CD1 4.02Å; W677-F681 AromaticContact CZ3-CD2 3.41Å; W677-F681 HydrophobicContact CZ3-CD2 3.41Å; W677-F681 VanDerWaalsContact CZ3-CD2 3.41Å; W677-F681 HydrophobicContact CZ3-CE1 4.15Å; W677-F681 AromaticContact CZ3-CE2 3.56Å; W677-F681 HydrophobicContact CZ3-CE2 3.56Å; W677-F681 AromaticContact CZ3-CG 3.65Å; W677-F681 HydrophobicContact CZ3-CG 3.65Å; W677-F681 AromaticContact CZ3-CZ 3.93Å; W677-F681 HydrophobicContact CZ3-CZ 3.93Å; F681-E683 PolarHBondContact O-N 2.96Å; F681-L684 PolarHBondContact O-N 2.82Å; F681-A685 HydrophobicContact CE1-CB 4.15Å; F681-A685 HydrophobicContact CE2-CB 4.32Å; F681-A685 HydrophobicContact CZ-CB 4.05Å; F681-A685 WeakPolarHBondContact O-CB 3.32Å; F681-A685 PolarHBondContact O-N 2.96Å
682	E	84.2	Confident	78.1	Confident	137 Å²	137	51.5 Å²	51.5	64%	0.64	27%	0.272	S	S	*	.	H	α-helix	trans	-63	-41	-179.2	-67.1	-166.4	161.3	0	0	112.6	L684 E686	E682-L684 VanDerWaalsContact C-N 3.34Å; E682-E686 PolarHBondContact O-N 2.9Å; E682-E686 VanDerWaalsContact O-N 3.16Å
683	E	85.7	Confident	75.5	Confident	127 Å²	127	50.6 Å²	50.6	59%	0.593	26%	0.264	S	S	*	.	H	α-helix	trans	-63.9	-38.9	175.3	-67.6	-178.3	168.9	0	0	112.6	Y679 R680 F681	Y679-E683 WeakPolarHBondContact O-CG 3.49Å; R680-E683 IonicContact NH1-OE2 3.5Å; R680-E683 PolarHBondContact O-N 2.85Å; F681-E683 PolarHBondContact O-N 2.96Å
684	L	87.5	Confident	72.7	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.058	28%	0.284	C	S	.	.	H	α-helix	trans	-76.4	-45	-178.2	-179.4	63	0	0	0	111.7	R497 Q500 T501 E504 R680 F681 E682 E686	R497-L684 VanDerWaalsContact CB-O 3.31Å; R497-L684 WeakPolarHBondContact CB-O 3.42Å; R497-L684 WeakPolarHBondContact CD-O 3.36Å; Q500-L684 HydrophobicContact CB-CD1 4.24Å; T501-L684 HydrophobicContact CG2-CD2 4.28Å; T501-L684 HydrophobicContact CG2-CG 4.45Å; E504-L684 HydrophobicContact CB-CD2 3.54Å; E504-L684 HydrophobicContact CG-CD2 3.66Å; R680-L684 VanDerWaalsContact O-CB 3.3Å; R680-L684 WeakPolarHBondContact O-CB 3.42Å; R680-L684 PolarHBondContact O-N 2.76Å; F681-L684 PolarHBondContact O-N 2.82Å; E682-L684 VanDerWaalsContact C-N 3.34Å; L684-E686 VanDerWaalsContact C-N 3.34Å
685	A	82.8	Confident	69.9	Low	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71	-31.8	-174.7	0	0	0	0	0	112.1	V495 F496 R497 T501 F681 P687	V495-A685 HydrophobicContact CB-CB 4.49Å; V495-A685 HydrophobicContact CG1-CB 3.77Å; V495-A685 HydrophobicContact CG2-CB 4.02Å; F496-A685 PolarHBondContact N-O 2.99Å; R497-A685 PolarHBondContact N-O 3.09Å; T501-A685 HydrophobicContact CG2-CB 4.36Å; F681-A685 HydrophobicContact CE1-CB 4.15Å; F681-A685 HydrophobicContact CE2-CB 4.32Å; F681-A685 HydrophobicContact CZ-CB 4.05Å; F681-A685 WeakPolarHBondContact O-CB 3.32Å; F681-A685 PolarHBondContact O-N 2.96Å; A685-P687 VanDerWaalsContact C-N 3.28Å
686	E	71.2	Confident	67.3	Low	50 Å²	50	64.6 Å²	64.6	23%	0.234	32%	0.316	C	S	.	.			trans	38.4	58.8	-165.2	-73	-169.2	-161	0	0	110.9	R373 F496 R497 E682 L684 V688	R373-E686 IonicContact CZ-OE2 3.48Å; R373-E686 IonicContact NH2-OE2 2.91Å; R373-E686 PolarHBondContact NH2-OE2 3.48Å; F496-E686 WeakPolarHBondContact CB-O 3.33Å; R497-E686 IonicContact CZ-OE1 3.97Å; R497-E686 IonicContact NE-OE1 2.71Å; R497-E686 PolarHBondContact NE-OE1 3.14Å; R497-E686 VanDerWaalsContact NE-OE1 3.13Å; R497-E686 IonicContact NH2-OE1 3.57Å; R497-E686 PolarHBondContact NH2-OE1 3.24Å; E682-E686 PolarHBondContact O-N 2.9Å; E682-E686 VanDerWaalsContact O-N 3.16Å; L684-E686 VanDerWaalsContact C-N 3.34Å; E686-V688 PolarHBondContact O-N 3.11Å
687	P	61.9	Low	64.5	Low	53 Å²	53	72 Å²	72	34%	0.344	34%	0.344	S	S	.	.			trans	-57	130.7	-178.2	25.9	-32.3	0	0	0	107.9	A685 P689	A685-P687 VanDerWaalsContact C-N 3.28Å; P687-P689 WeakPolarHBondContact O-CD 3.27Å; P687-P689 VanDerWaalsContact O-N 3.12Å
688	V	53.8	Low	61.9	Low	14 Å²	14	73.6 Å²	73.6	9%	0.085	36%	0.358	C	S	.	.			trans	-49.5	121.4	-175.8	172.8	0	0	0	0	109.7	V370 R373 F496 E686 A690	V370-V688 HydrophobicContact CG1-CG2 4.26Å; R373-V688 VanDerWaalsContact CA-CG1 3.41Å; R373-V688 HydrophobicContact CB-CG1 3.79Å; R373-V688 HydrophobicContact CB-CG2 4.3Å; R373-V688 HydrophobicContact CG-CG1 4.29Å; R373-V688 HydrophobicContact CG-CG2 4.15Å; R373-V688 WeakPolarHBondContact O-CG1 3.38Å; F496-V688 HydrophobicContact CB-CG2 4.4Å; E686-V688 PolarHBondContact O-N 3.11Å; V688-A690 PolarHBondContact O-N 3.2Å
689	P	47.1	Very low	59.7	Low	77 Å²	77	77.9 Å²	77.9	50%	0.5	38%	0.381	S	S	.	.			trans	-64.3	111.8	171	17.9	-20.5	0	0	0	108.4	P687	P687-P689 WeakPolarHBondContact O-CD 3.27Å; P687-P689 VanDerWaalsContact O-N 3.12Å
690	A	46.1	Very low	57.7	Low	19 Å²	19	76.5 Å²	76.5	16%	0.157	38%	0.383	C	S	.	.			trans	7.5	117.2	137.1	0	0	0	0	0	114.3	V315 K316 V688	V315-A690 VanDerWaalsContact C-CB 3.44Å; V315-A690 HydrophobicContact CB-CB 3.62Å; V315-A690 HydrophobicContact CG1-CB 3.17Å; V315-A690 CarbonylContact O-C 3.59Å; V315-A690 VanDerWaalsContact O-CA 3.26Å; V315-A690 WeakPolarHBondContact O-CA 3.17Å; V315-A690 WeakPolarHBondContact O-CB 3.35Å; K316-A690 HydrophobicContact CB-CB 4.21Å; K316-A690 HydrophobicContact CG-CB 3.35Å; V688-A690 PolarHBondContact O-N 3.2Å
691	S	38.7	Very low	55.6	Low	15 Å²	15	75.6 Å²	75.6	11%	0.105	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-52.1	147.8	178.6	-41	0	0	0	0	108.7	V315 R318 T375 P693	V315-S691 WeakPolarHBondContact CG1-O 3.47Å; V315-S691 PolarHBondContact O-N 3.17Å; R318-S691 PolarHBondContact NH2-OG 3.03Å; R318-S691 VanDerWaalsContact NH2-OG 3.16Å; T375-S691 WeakPolarHBondContact CB-OG 3.32Å; T375-S691 WeakPolarHBondContact CG2-OG 3.36Å; T375-S691 PolarHBondContact OG1-OG 2.94Å; S691-P693 VanDerWaalsContact O-N 3.08Å
692	P	37.1	Very low	53.8	Low	113 Å²	113	78.5 Å²	78.5	73%	0.734	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-49.1	129	163.3	21.4	-30.8	0	0	0	108.7	I694	P692-I694 PolarHBondContact O-N 3.13Å
693	P	41	Very low	52.5	Low	55 Å²	55	80 Å²	80	36%	0.357	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-53.7	121.5	-175.1	20.1	-31.3	0	0	0	107.8	V315 S691 Y695	V315-P693 HydrophobicContact CG2-CB 4.34Å; V315-P693 HydrophobicContact CG2-CG 4.45Å; S691-P693 VanDerWaalsContact O-N 3.08Å; P693-Y695 HydrophobicContact CB-CD2 3.82Å; P693-Y695 HydrophobicContact CB-CE2 3.7Å; P693-Y695 HydrophobicContact CB-CG 4.36Å; P693-Y695 HydrophobicContact CG-CD2 3.62Å; P693-Y695 HydrophobicContact CG-CE2 3.18Å; P693-Y695 PolarHBondContact O-N 2.78Å
694	I	38.7	Very low	51.7	Low	103 Å²	103	78.8 Å²	78.8	53%	0.528	40%	0.402	S	S	.	.			trans	-71.6	81.1	162.7	-53.6	175.2	0	0	0	104.2	P692 Y696	P692-I694 PolarHBondContact O-N 3.13Å; I694-Y696 HydrophobicContact CG2-CD2 3.73Å; I694-Y696 HydrophobicContact CG2-CE2 3.69Å; I694-Y696 PolarHBondContact O-N 2.77Å
695	Y	38.1	Very low	50.9	Low	163 Å²	163	82.1 Å²	82.1	64%	0.639	42%	0.423	S	S	*	.			trans	-60	98.4	164.6	-74.9	-74.7	0	0	0	105.4	P693 Y697	P693-Y695 HydrophobicContact CB-CD2 3.82Å; P693-Y695 HydrophobicContact CB-CE2 3.7Å; P693-Y695 HydrophobicContact CB-CG 4.36Å; P693-Y695 HydrophobicContact CG-CD2 3.62Å; P693-Y695 HydrophobicContact CG-CE2 3.18Å; P693-Y695 PolarHBondContact O-N 2.78Å; Y695-Y697 HydrophobicContact CG-CE2 4.11Å; Y695-Y697 PolarHBondContact O-N 2.87Å
696	Y	39.9	Very low	50.6	Low	86 Å²	86	86.4 Å²	86.4	34%	0.337	45%	0.449	S	S	.	.			trans	-68.4	77.1	159.8	-91	-86.8	0	0	0	106.1	Q381 I694 P698	Q381-Y696 PolarHBondContact NE2-OH 3.03Å; I694-Y696 HydrophobicContact CG2-CD2 3.73Å; I694-Y696 HydrophobicContact CG2-CE2 3.69Å; I694-Y696 PolarHBondContact O-N 2.77Å; Y696-P698 WeakPolarHBondContact O-CD 3.44Å
697	Y	38.8	Very low	51	Low	159 Å²	159	89.4 Å²	89.4	62%	0.624	47%	0.466	S	S	*	.			trans	-60	115.2	148.2	-70.1	-75.8	0	0	0	104.1	Y695 L699	Y695-Y697 HydrophobicContact CG-CE2 4.11Å; Y695-Y697 PolarHBondContact O-N 2.87Å; Y697-L699 PolarHBondContact O-N 2.78Å
698	P	40.2	Very low	52.1	Low	57 Å²	57	90.5 Å²	90.5	37%	0.37	47%	0.472	S	S	.	.			trans	-54.8	115.2	170.7	22.9	-30.7	0	0	0	105.1	Y696 I700 N701	Y696-P698 WeakPolarHBondContact O-CD 3.44Å; P698-I700 HydrophobicContact CB-CB 4.43Å; P698-I700 CarbonylContact O-C 3.43Å; P698-I700 PolarHBondContact O-N 2.88Å; P698-N701 PolarHBondContact O-N 3.02Å
699	L	44.2	Very low	53.7	Low	119 Å²	119	94.7 Å²	94.7	62%	0.623	49%	0.493	S	S	*	.	H	α-helix	trans	-51.7	-20	179.9	-76.8	162.5	0	0	0	111.3	Y697 N701 V702 R703	Y697-L699 PolarHBondContact O-N 2.78Å; L699-N701 PolarHBondContact O-N 2.79Å; L699-V702 PolarHBondContact O-N 2.79Å; L699-R703 VanDerWaalsContact O-CB 3.25Å; L699-R703 WeakPolarHBondContact O-CB 3.38Å; L699-R703 WeakPolarHBondContact O-CG 3.43Å; L699-R703 PolarHBondContact O-N 3.3Å
700	I	49	Very low	55.8	Low	123 Å²	123	92.5 Å²	92.5	63%	0.631	48%	0.484	S	S	*	.	H	α-helix	trans	-50.8	-48.2	168.1	-72.3	165.1	0	0	0	112.3	P698 R703 L704	P698-I700 HydrophobicContact CB-CB 4.43Å; P698-I700 CarbonylContact O-C 3.43Å; P698-I700 PolarHBondContact O-N 2.88Å; I700-R703 PolarHBondContact O-N 2.94Å; I700-L704 VanDerWaalsContact O-CB 3.31Å; I700-L704 WeakPolarHBondContact O-CB 3.26Å; I700-L704 PolarHBondContact O-N 2.79Å
701	N	49.7	Very low	57.9	Low	94 Å²	94	95.1 Å²	95.1	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-67.5	-46.4	-178.3	-80.2	-13.9	0	0	0	111	P698 L699 R703 L704 T705	P698-N701 PolarHBondContact O-N 3.02Å; L699-N701 PolarHBondContact O-N 2.79Å; N701-R703 VanDerWaalsContact C-N 3.32Å; N701-R703 PolarHBondContact O-N 2.97Å; N701-L704 CarbonylContact O-C 3.58Å; N701-L704 PolarHBondContact O-N 2.76Å; N701-L704 VanDerWaalsContact O-N 3.1Å; N701-T705 PolarHBondContact O-N 3.06Å; N701-T705 PolarHBondContact O-OG1 3.11Å
702	V	54.3	Low	60.5	Low	73 Å²	73	99.9 Å²	99.9	44%	0.442	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-41.1	177.3	179.3	0	0	0	0	111.2	L699 L704 T705 T706	L699-V702 PolarHBondContact O-N 2.79Å; V702-L704 VanDerWaalsContact C-N 3.34Å; V702-T705 WeakPolarHBondContact CA-OG1 3.45Å; V702-T705 PolarHBondContact O-N 3.31Å; V702-T705 PolarHBondContact O-OG1 3Å; V702-T706 WeakPolarHBondContact O-CB 3.26Å; V702-T706 PolarHBondContact O-N 3.46Å; V702-T706 PolarHBondContact O-OG1 3.01Å
703	R	57.6	Low	63.2	Low	168 Å²	168	100.1 Å²	100.1	63%	0.634	52%	0.519	S	S	*	.	H	α-helix	trans	-63.5	-39.3	174.1	-75.8	177.5	-177.7	-169.8	1.9	111.7	L699 I700 N701 T706 L707	L699-R703 VanDerWaalsContact O-CB 3.25Å; L699-R703 WeakPolarHBondContact O-CB 3.38Å; L699-R703 WeakPolarHBondContact O-CG 3.43Å; L699-R703 PolarHBondContact O-N 3.3Å; I700-R703 PolarHBondContact O-N 2.94Å; N701-R703 VanDerWaalsContact C-N 3.32Å; N701-R703 PolarHBondContact O-N 2.97Å; R703-T706 VanDerWaalsContact CA-OG1 3.29Å; R703-T706 WeakPolarHBondContact CA-OG1 3.49Å; R703-T706 PolarHBondContact O-OG1 2.81Å; R703-L707 VanDerWaalsContact O-CB 3.26Å; R703-L707 WeakPolarHBondContact O-CB 3.31Å; R703-L707 WeakPolarHBondContact O-CG 3.34Å; R703-L707 PolarHBondContact O-N 2.8Å
704	L	68.9	Low	65.6	Low	103 Å²	103	100.6 Å²	100.6	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-69.7	-44.3	177.5	-147.4	85.7	0	0	0	111.1	I700 N701 V702 L707 V708	I700-L704 VanDerWaalsContact O-CB 3.31Å; I700-L704 WeakPolarHBondContact O-CB 3.26Å; I700-L704 PolarHBondContact O-N 2.79Å; N701-L704 CarbonylContact O-C 3.58Å; N701-L704 PolarHBondContact O-N 2.76Å; N701-L704 VanDerWaalsContact O-N 3.1Å; V702-L704 VanDerWaalsContact C-N 3.34Å; L704-L707 WeakPolarHBondContact O-CB 3.25Å; L704-L707 PolarHBondContact O-N 2.7Å; L704-V708 WeakPolarHBondContact O-CB 3.42Å; L704-V708 VanDerWaalsContact O-CG2 3.22Å; L704-V708 WeakPolarHBondContact O-CG2 3.41Å; L704-V708 PolarHBondContact O-N 3.1Å
705	T	70.6	Confident	68.2	Low	81 Å²	81	100.4 Å²	100.4	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-64.7	-40.5	174.9	12.6	0	0	0	0	111.7	N701 V702 V708 L709	N701-T705 PolarHBondContact O-N 3.06Å; N701-T705 PolarHBondContact O-OG1 3.11Å; V702-T705 WeakPolarHBondContact CA-OG1 3.45Å; V702-T705 PolarHBondContact O-N 3.31Å; V702-T705 PolarHBondContact O-OG1 3Å; T705-V708 PolarHBondContact O-N 3.25Å; T705-L709 WeakPolarHBondContact O-CB 3.09Å; T705-L709 WeakPolarHBondContact O-CD1 3.4Å; T705-L709 PolarHBondContact O-N 3.3Å
706	T	74.8	Confident	70.8	Confident	90 Å²	90	95.6 Å²	95.6	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-66.1	-36.9	174.1	33.1	0	0	0	0	112.2	V702 R703 G710	V702-T706 WeakPolarHBondContact O-CB 3.26Å; V702-T706 PolarHBondContact O-N 3.46Å; V702-T706 PolarHBondContact O-OG1 3.01Å; R703-T706 VanDerWaalsContact CA-OG1 3.29Å; R703-T706 WeakPolarHBondContact CA-OG1 3.49Å; R703-T706 PolarHBondContact O-OG1 2.81Å; T706-G710 PolarHBondContact O-N 2.97Å
707	L	80	Confident	73.4	Confident	112 Å²	112	96.6 Å²	96.6	59%	0.586	53%	0.532	S	S	*	.	H	α-helix	trans	-63.3	-46.7	171.2	-92.8	158.9	0	0	0	111.7	R703 L704 G710 C711	R703-L707 VanDerWaalsContact O-CB 3.26Å; R703-L707 WeakPolarHBondContact O-CB 3.31Å; R703-L707 WeakPolarHBondContact O-CG 3.34Å; R703-L707 PolarHBondContact O-N 2.8Å; L704-L707 WeakPolarHBondContact O-CB 3.25Å; L704-L707 PolarHBondContact O-N 2.7Å; L707-G710 PolarHBondContact O-N 3.38Å; L707-C711 WeakPolarHBondContact O-CB 3.35Å; L707-C711 PolarHBondContact O-N 2.93Å; L707-C711 PolarHBondContact O-SG 3.48Å
708	V	85.1	Confident	76.1	Confident	77 Å²	77	93.7 Å²	93.7	47%	0.467	53%	0.526	S	S	.	.	H	α-helix	trans	-64.2	-45.6	179.2	171.1	0	0	0	0	110.9	L704 T705 C711 L712	L704-V708 WeakPolarHBondContact O-CB 3.42Å; L704-V708 VanDerWaalsContact O-CG2 3.22Å; L704-V708 WeakPolarHBondContact O-CG2 3.41Å; L704-V708 PolarHBondContact O-N 3.1Å; T705-V708 PolarHBondContact O-N 3.25Å; V708-C711 PolarHBondContact O-N 3.31Å; V708-L712 HydrophobicContact CG1-CD1 4.1Å; V708-L712 VanDerWaalsContact O-CG 3.31Å; V708-L712 WeakPolarHBondContact O-CG 3.2Å; V708-L712 PolarHBondContact O-N 2.85Å
709	L	88.1	Confident	78.6	Confident	101 Å²	101	92.9 Å²	92.9	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-61.7	-42.9	173.3	-99.8	110.1	0	0	0	111.6	T705 C711 L712 L713	T705-L709 WeakPolarHBondContact O-CB 3.09Å; T705-L709 WeakPolarHBondContact O-CD1 3.4Å; T705-L709 PolarHBondContact O-N 3.3Å; L709-C711 VanDerWaalsContact C-N 3.35Å; L709-C711 PolarHBondContact O-N 3.17Å; L709-L712 PolarHBondContact O-N 3.33Å; L709-L713 WeakPolarHBondContact O-CB 3.27Å; L709-L713 WeakPolarHBondContact O-CG 3.18Å; L709-L713 PolarHBondContact O-N 2.9Å
710	G	91.3	Very high	81	Confident	31 Å²	31	92 Å²	92	32%	0.32	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-42.9	176.4	0	0	0	0	0	112.4	T706 L707 S714	T706-G710 PolarHBondContact O-N 2.97Å; L707-G710 PolarHBondContact O-N 3.38Å; G710-S714 WeakPolarHBondContact O-CB 3.36Å; G710-S714 PolarHBondContact O-N 2.85Å; G710-S714 PolarHBondContact O-OG 2.89Å
711	C	90.7	Very high	83.1	Confident	75 Å²	75	90.4 Å²	90.4	51%	0.507	52%	0.515	S	S	.	.	H	α-helix	trans	-63.4	-45	173.9	-74.1	0	0	0	0	111.8	L707 V708 L709 S714 V715	L707-C711 WeakPolarHBondContact O-CB 3.35Å; L707-C711 PolarHBondContact O-N 2.93Å; L707-C711 PolarHBondContact O-SG 3.48Å; V708-C711 PolarHBondContact O-N 3.31Å; L709-C711 VanDerWaalsContact C-N 3.35Å; L709-C711 PolarHBondContact O-N 3.17Å; C711-S714 WeakPolarHBondContact O-CB 2.89Å; C711-S714 PolarHBondContact O-N 2.88Å; C711-V715 WeakPolarHBondContact O-CG2 3.25Å; C711-V715 PolarHBondContact O-N 3Å
712	L	92.3	Very high	85.1	Confident	114 Å²	114	90.5 Å²	90.5	60%	0.597	52%	0.515	S	S	*	.	H	α-helix	trans	-63.3	-43.4	178.2	-72.8	171	0	0	0	112.1	V708 L709 S714 V715 A716	V708-L712 HydrophobicContact CG1-CD1 4.1Å; V708-L712 VanDerWaalsContact O-CG 3.31Å; V708-L712 WeakPolarHBondContact O-CG 3.2Å; V708-L712 PolarHBondContact O-N 2.85Å; L709-L712 PolarHBondContact O-N 3.33Å; L712-S714 VanDerWaalsContact C-N 3.33Å; L712-S714 PolarHBondContact O-N 2.64Å; L712-V715 PolarHBondContact O-N 3.34Å; L712-A716 WeakPolarHBondContact O-CB 3.21Å; L712-A716 PolarHBondContact O-N 2.87Å
713	L	93.6	Very high	86.8	Confident	119 Å²	119	91.7 Å²	91.7	62%	0.623	52%	0.518	S	S	*	.	H	α-helix	trans	-62.7	-40.2	174.9	-74.4	168.8	0	0	0	111.7	L709 A716 L717	L709-L713 WeakPolarHBondContact O-CB 3.27Å; L709-L713 WeakPolarHBondContact O-CG 3.18Å; L709-L713 PolarHBondContact O-N 2.9Å; L713-A716 PolarHBondContact O-N 3.44Å; L713-L717 WeakPolarHBondContact O-CB 3.46Å; L713-L717 PolarHBondContact O-N 3.22Å
714	S	92.1	Very high	88.4	Confident	65 Å²	65	87.7 Å²	87.7	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-43.5	176.9	-57.5	0	0	0	0	111.7	G710 C711 L712 L717 I718	G710-S714 WeakPolarHBondContact O-CB 3.36Å; G710-S714 PolarHBondContact O-N 2.85Å; G710-S714 PolarHBondContact O-OG 2.89Å; C711-S714 WeakPolarHBondContact O-CB 2.89Å; C711-S714 PolarHBondContact O-N 2.88Å; L712-S714 VanDerWaalsContact C-N 3.33Å; L712-S714 PolarHBondContact O-N 2.64Å; S714-L717 PolarHBondContact O-N 2.87Å; S714-I718 WeakPolarHBondContact O-CD1 3.47Å; S714-I718 VanDerWaalsContact O-CG1 3.24Å; S714-I718 WeakPolarHBondContact O-CG1 3.42Å; S714-I718 PolarHBondContact O-N 3.21Å
715	V	93.4	Very high	89.3	Confident	98 Å²	98	86.1 Å²	86.1	59%	0.594	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-42.6	175.9	171.8	0	0	0	0	111.1	C711 L712 L717 I718 G719	C711-V715 WeakPolarHBondContact O-CG2 3.25Å; C711-V715 PolarHBondContact O-N 3Å; L712-V715 PolarHBondContact O-N 3.34Å; V715-L717 PolarHBondContact O-N 2.84Å; V715-I718 PolarHBondContact O-N 3.12Å; V715-G719 PolarHBondContact O-N 2.98Å
716	A	92.6	Very high	89.9	Confident	63 Å²	63	87.4 Å²	87.4	52%	0.521	51%	0.506	S	S	.	.	H	α-helix	trans	-62.1	-42.4	176.1	0	0	0	0	0	111.9	L712 L713 G719 L720	L712-A716 WeakPolarHBondContact O-CB 3.21Å; L712-A716 PolarHBondContact O-N 2.87Å; L713-A716 PolarHBondContact O-N 3.44Å; A716-G719 PolarHBondContact O-N 2.93Å; A716-L720 PolarHBondContact O-N 3.33Å
717	L	94.6	Very high	90.3	Very high	107 Å²	107	88.1 Å²	88.1	56%	0.56	51%	0.506	S	S	*	.	H	α-helix	trans	-64.3	-43.9	177.5	-158.8	91.1	0	0	0	111.7	L713 S714 V715 G719 L720 I721	L713-L717 WeakPolarHBondContact O-CB 3.46Å; L713-L717 PolarHBondContact O-N 3.22Å; S714-L717 PolarHBondContact O-N 2.87Å; V715-L717 PolarHBondContact O-N 2.84Å; L717-G719 VanDerWaalsContact C-N 3.33Å; L717-G719 PolarHBondContact O-N 3.48Å; L717-L720 WeakPolarHBondContact O-CB 3.45Å; L717-L720 PolarHBondContact O-N 2.96Å; L717-I721 HydrophobicContact CD2-CD1 4.3Å; L717-I721 HydrophobicContact CG-CD1 4.39Å; L717-I721 VanDerWaalsContact O-CG1 3.3Å; L717-I721 WeakPolarHBondContact O-CG1 3.39Å; L717-I721 PolarHBondContact O-N 3.36Å
718	I	94.2	Very high	90.2	Very high	98 Å²	98	90.2 Å²	90.2	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-43.4	175.6	-68.4	164.9	0	0	0	110.3	S714 V715 L720 I721 I722	S714-I718 WeakPolarHBondContact O-CD1 3.47Å; S714-I718 VanDerWaalsContact O-CG1 3.24Å; S714-I718 WeakPolarHBondContact O-CG1 3.42Å; S714-I718 PolarHBondContact O-N 3.21Å; V715-I718 PolarHBondContact O-N 3.12Å; I718-L720 VanDerWaalsContact C-N 3.33Å; I718-L720 PolarHBondContact O-N 3.27Å; I718-I721 PolarHBondContact O-N 2.85Å; I718-I722 HydrophobicContact CG2-CD1 3.83Å; I718-I722 HydrophobicContact CG2-CG1 4.44Å; I718-I722 VanDerWaalsContact O-CG1 3.29Å; I718-I722 WeakPolarHBondContact O-CG1 3.26Å; I718-I722 PolarHBondContact O-N 3.34Å
719	G	93.4	Very high	89.4	Confident	40 Å²	40	94.2 Å²	94.2	41%	0.412	53%	0.526	S	S	.	.	H	α-helix	trans	-58.7	-42.9	175.1	0	0	0	0	0	112.7	V715 A716 L717 I722 L723	V715-G719 PolarHBondContact O-N 2.98Å; A716-G719 PolarHBondContact O-N 2.93Å; L717-G719 VanDerWaalsContact C-N 3.33Å; L717-G719 PolarHBondContact O-N 3.48Å; G719-I722 PolarHBondContact O-N 2.83Å; G719-L723 WeakPolarHBondContact O-CB 3.38Å; G719-L723 PolarHBondContact O-N 3.44Å
720	L	93.8	Very high	87.7	Confident	100 Å²	100	99.1 Å²	99.1	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-63.6	-44.7	176	-166.6	82.3	0	0	0	111.8	A716 L717 I718 I722 L723 I724	A716-L720 PolarHBondContact O-N 3.33Å; L717-L720 WeakPolarHBondContact O-CB 3.45Å; L717-L720 PolarHBondContact O-N 2.96Å; I718-L720 VanDerWaalsContact C-N 3.33Å; I718-L720 PolarHBondContact O-N 3.27Å; L720-I722 PolarHBondContact O-N 2.9Å; L720-L723 WeakPolarHBondContact O-CB 3.33Å; L720-L723 PolarHBondContact O-N 3.49Å; L720-I724 HydrophobicContact CD2-CD1 4.48Å; L720-I724 HydrophobicContact CG-CD1 4.28Å; L720-I724 WeakPolarHBondContact O-CG1 3.42Å; L720-I724 PolarHBondContact O-N 3.14Å
721	I	93.6	Very high	85.8	Confident	90 Å²	90	103.3 Å²	103.3	46%	0.462	56%	0.559	S	S	.	*	H	α-helix	trans	-62.1	-44.2	177.8	-68.7	165.6	0	0	0	110.6	L717 I718 L723 I724 V725	L717-I721 HydrophobicContact CD2-CD1 4.3Å; L717-I721 HydrophobicContact CG-CD1 4.39Å; L717-I721 VanDerWaalsContact O-CG1 3.3Å; L717-I721 WeakPolarHBondContact O-CG1 3.39Å; L717-I721 PolarHBondContact O-N 3.36Å; I718-I721 PolarHBondContact O-N 2.85Å; I721-L723 VanDerWaalsContact C-N 3.31Å; I721-L723 PolarHBondContact O-N 2.99Å; I721-I724 PolarHBondContact O-N 3.12Å; I721-V725 HydrophobicContact CG2-CG2 4.49Å; I721-V725 WeakPolarHBondContact O-CG2 3.44Å; I721-V725 PolarHBondContact O-N 3.42Å
722	I	91.9	Very high	84	Confident	96 Å²	96	108.4 Å²	108.4	49%	0.492	58%	0.575	S	S	.	*	H	α-helix	trans	-60.4	-43.6	176.4	-69	167.7	0	0	0	110.3	I718 G719 L720 I724 V725 L726	I718-I722 HydrophobicContact CG2-CD1 3.83Å; I718-I722 HydrophobicContact CG2-CG1 4.44Å; I718-I722 VanDerWaalsContact O-CG1 3.29Å; I718-I722 WeakPolarHBondContact O-CG1 3.26Å; I718-I722 PolarHBondContact O-N 3.34Å; G719-I722 PolarHBondContact O-N 2.83Å; L720-I722 PolarHBondContact O-N 2.9Å; I722-I724 PolarHBondContact O-N 3.42Å; I722-V725 PolarHBondContact O-N 3.39Å; I722-L726 HydrophobicContact CG2-CD1 3.93Å; I722-L726 HydrophobicContact CG2-CG 4.36Å; I722-L726 WeakPolarHBondContact O-CB 3.21Å; I722-L726 VanDerWaalsContact O-CG 3.29Å; I722-L726 WeakPolarHBondContact O-CG 2.99Å; I722-L726 PolarHBondContact O-N 3.14Å
723	L	90.3	Very high	82	Confident	97 Å²	97	108.7 Å²	108.7	51%	0.508	58%	0.584	S	S	.	*	H	α-helix	trans	-60.7	-44.9	177.2	-168.4	76.9	0	0	0	111.6	G719 L720 I721 V725 L726 L727	G719-L723 WeakPolarHBondContact O-CB 3.38Å; G719-L723 PolarHBondContact O-N 3.44Å; L720-L723 WeakPolarHBondContact O-CB 3.33Å; L720-L723 PolarHBondContact O-N 3.49Å; I721-L723 VanDerWaalsContact C-N 3.31Å; I721-L723 PolarHBondContact O-N 2.99Å; L723-V725 PolarHBondContact O-N 2.94Å; L723-L726 PolarHBondContact O-N 2.79Å; L723-L727 HydrophobicContact CG-CD1 4.36Å; L723-L727 VanDerWaalsContact O-CG 3.31Å; L723-L727 WeakPolarHBondContact O-CG 2.98Å; L723-L727 PolarHBondContact O-N 2.96Å
724	I	91.5	Very high	79.6	Confident	85 Å²	85	112.7 Å²	112.7	44%	0.436	60%	0.596	S	S	.	*	H	α-helix	trans	-60	-46.6	176.4	-68.8	166.2	0	0	0	110.5	L720 I721 I722 L726 L727 M728	L720-I724 HydrophobicContact CD2-CD1 4.48Å; L720-I724 HydrophobicContact CG-CD1 4.28Å; L720-I724 WeakPolarHBondContact O-CG1 3.42Å; L720-I724 PolarHBondContact O-N 3.14Å; I721-I724 PolarHBondContact O-N 3.12Å; I722-I724 PolarHBondContact O-N 3.42Å; I724-L726 VanDerWaalsContact C-N 3.32Å; I724-L726 PolarHBondContact O-N 3.34Å; I724-L727 PolarHBondContact O-N 3.47Å; I724-M728 HydrophobicContact CG2-CG 4.45Å; I724-M728 HydrophobicContact CG2-SD 4.15Å; I724-M728 WeakPolarHBondContact O-CG 3.31Å; I724-M728 PolarHBondContact O-N 2.95Å
725	V	88.4	Confident	77.1	Confident	69 Å²	69	118.6 Å²	118.6	42%	0.418	62%	0.617	S	S	.	*	H	α-helix	trans	-62.2	-39.8	178.2	171.8	0	0	0	0	111.5	I721 I722 L723 M728 K729	I721-V725 HydrophobicContact CG2-CG2 4.49Å; I721-V725 WeakPolarHBondContact O-CG2 3.44Å; I721-V725 PolarHBondContact O-N 3.42Å; I722-V725 PolarHBondContact O-N 3.39Å; L723-V725 PolarHBondContact O-N 2.94Å; V725-M728 PolarHBondContact O-N 2.85Å; V725-K729 WeakPolarHBondContact O-CB 3.3Å; V725-K729 PolarHBondContact O-N 3.2Å
726	L	83.4	Confident	74.6	Confident	108 Å²	108	124 Å²	124	57%	0.565	63%	0.633	S	S	*	*	H	α-helix	trans	-66	-38.8	176.1	-72.5	171.2	0	0	0	112	I722 L723 I724 K729 R730	I722-L726 HydrophobicContact CG2-CD1 3.93Å; I722-L726 HydrophobicContact CG2-CG 4.36Å; I722-L726 WeakPolarHBondContact O-CB 3.21Å; I722-L726 VanDerWaalsContact O-CG 3.29Å; I722-L726 WeakPolarHBondContact O-CG 2.99Å; I722-L726 PolarHBondContact O-N 3.14Å; L723-L726 PolarHBondContact O-N 2.79Å; I724-L726 VanDerWaalsContact C-N 3.32Å; I724-L726 PolarHBondContact O-N 3.34Å; L726-K729 PolarHBondContact O-N 2.71Å; L726-R730 PolarHBondContact O-N 2.85Å
727	L	81.3	Confident	71.7	Confident	106 Å²	106	130.3 Å²	130.3	56%	0.555	65%	0.649	S	S	*	*	H	α-helix	trans	-65.9	-39.7	174.6	-71.4	170.2	0	0	0	111.7	L723 I724 K729 R730	L723-L727 HydrophobicContact CG-CD1 4.36Å; L723-L727 VanDerWaalsContact O-CG 3.31Å; L723-L727 WeakPolarHBondContact O-CG 2.98Å; L723-L727 PolarHBondContact O-N 2.96Å; I724-L727 PolarHBondContact O-N 3.47Å; L727-K729 VanDerWaalsContact C-N 3.3Å; L727-K729 PolarHBondContact O-N 2.85Å; L727-R730 PolarHBondContact O-N 3.04Å
728	M	79.8	Confident	68.8	Low	156 Å²	156	130.9 Å²	130.9	77%	0.768	66%	0.661	S	S	*	*	H	α-helix	trans	-68.6	-28.3	175.8	-69.7	-177.4	75.2	0	0	113	I724 V725 R730	I724-M728 HydrophobicContact CG2-CG 4.45Å; I724-M728 HydrophobicContact CG2-SD 4.15Å; I724-M728 WeakPolarHBondContact O-CG 3.31Å; I724-M728 PolarHBondContact O-N 2.95Å; V725-M728 PolarHBondContact O-N 2.85Å; M728-R730 VanDerWaalsContact C-N 3.31Å
729	K	67.2	Low	65.7	Low	161 Å²	161	131.3 Å²	131.3	70%	0.7	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	1.3	177.5	-83.9	-169.6	175.8	-175.8	0	114.4	V725 L726 L727 P731	V725-K729 WeakPolarHBondContact O-CB 3.3Å; V725-K729 PolarHBondContact O-N 3.2Å; L726-K729 PolarHBondContact O-N 2.71Å; L727-K729 VanDerWaalsContact C-N 3.3Å; L727-K729 PolarHBondContact O-N 2.85Å; K729-P731 WeakPolarHBondContact O-CD 3.34Å
730	R	52.8	Low	62.9	Low	203 Å²	203	137.3 Å²	137.3	77%	0.766	69%	0.694	S	S	*	*			trans	-58	114.2	175	-105	-174.7	174.9	-178	-0.7	109.3	L726 L727 M728 Q732	L726-R730 PolarHBondContact O-N 2.85Å; L727-R730 PolarHBondContact O-N 3.04Å; M728-R730 VanDerWaalsContact C-N 3.31Å; R730-Q732 PolarHBondContact O-N 2.89Å
731	P	51.9	Low	59.8	Low	119 Å²	119	143.9 Å²	143.9	77%	0.773	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-66.1	132.7	-178.3	-14.3	28.1	0	0	0	109.2	K729	K729-P731 WeakPolarHBondContact O-CD 3.34Å
732	Q	52.3	Low	56.9	Low	182 Å²	182	147.9 Å²	147.9	85%	0.85	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-56.5	131.9	176.3	-73.6	-135.6	-12.8	0	0	110.7	R730 K734	R730-Q732 PolarHBondContact O-N 2.89Å; Q732-K734 PolarHBondContact O-N 3.15Å
733	P	50.5	Low	53.9	Low	121 Å²	121	147.8 Å²	147.8	79%	0.786	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-64.4	121.7	-176.9	24.2	-30.8	0	0	0	110	Q735	P733-Q735 PolarHBondContact O-N 3.39Å
734	K	43.7	Very low	51.1	Low	202 Å²	202	149.4 Å²	149.4	88%	0.878	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-58.9	124.7	174.7	-71.3	-178.1	176.9	-179.6	0	109.3	Q732 F736	Q732-K734 PolarHBondContact O-N 3.15Å; K734-F736 PolarHBondContact O-N 3.19Å; K734-F736 VanDerWaalsContact O-N 3.12Å
735	Q	39.5	Very low	48.8	Very low	190 Å²	190	151.4 Å²	151.4	89%	0.888	77%	0.769	S	S	*	*			trans	-45.6	109.4	178.7	-71.8	173.7	-26.4	0	0	112.2	P733 K737	P733-Q735 PolarHBondContact O-N 3.39Å; Q735-K737 PolarHBondContact O-N 3.46Å
736	F	39.3	Very low	45.9	Very low	210 Å²	210	151.2 Å²	151.2	92%	0.921	78%	0.78	S	S	*	*			trans	-77.8	111.3	163.9	-124.4	-94.8	0	0	0	107.6	K734 S738	K734-F736 PolarHBondContact O-N 3.19Å; K734-F736 VanDerWaalsContact O-N 3.12Å; F736-S738 PolarHBondContact O-N 3.11Å
737	K	33.2	Very low	43.4	Very low	197 Å²	197	151.8 Å²	151.8	86%	0.857	79%	0.794	S	S	*	*			trans	-64.3	130.8	176.3	-91	-177.7	175.8	179.1	0	110.2	Q735	Q735-K737 PolarHBondContact O-N 3.46Å
738	S	32.5	Very low	41.1	Very low	118 Å²	118	154.9 Å²	154.9	83%	0.825	81%	0.805	S	S	*	*			trans	-75.1	124.1	-177	53.5	0	0	0	0	112.9	F736	F736-S738 PolarHBondContact O-N 3.11Å
739	S	30.7	Very low	38.9	Very low	107 Å²	107	155.5 Å²	155.5	75%	0.748	80%	0.804	S	S	*	*			trans	-150.6	98.2	153.6	60.7	0	0	0	0	109.3
740	I	33.6	Very low	37.2	Very low	167 Å²	167	157 Å²	157	86%	0.856	81%	0.813	S	S	*	*				-170.2	109.6	126.2	-86.3	147.6	0	0	0	105.7
741	R	28.3	Very low	36.4	Very low	237 Å²	237	152.3 Å²	152.3	89%	0.894	81%	0.807	S	S	*	*			trans	-79	126.5	163.7	-78.2	178.4	179.7	175.2	-0.5	107.4
742	H	32.4	Very low	35.5	Very low	175 Å²	175	150.5 Å²	150.5	81%	0.81	80%	0.797	S	S	*	*			trans	-171	91.2	139.9	-87.8	-61.6	0	0	0	104.7
743	S	28.6	Very low	34.6	Very low	93 Å²	93	148.7 Å²	148.7	65%	0.65	79%	0.793	S	S	*	*				55.4	90.5	102.4	63.4	0	0	0	0	114.4
744	T	32.8	Very low	33.9	Very low	132 Å²	132	151.8 Å²	151.8	81%	0.81	79%	0.794	S	S	*	*				30	153.3	128.4	38	0	0	0	0	121
745	P	42.6	Very low	33.5	Very low	127 Å²	127	148 Å²	148	83%	0.825	78%	0.783	S	S	*	*			cis	-148.6	172	24.8	34.4	-11.2	0	0	0	117.7
746	G	28.5	Very low	33.2	Very low	64 Å²	64	144 Å²	144	66%	0.66	78%	0.776	S	S	*	*			trans	104.9	92	141.3	0	0	0	0	0	119.6
747	S	30.7	Very low	32.9	Very low	121 Å²	121	143.9 Å²	143.9	85%	0.846	78%	0.775	S	S	*	*			trans	45.2	76.8	132.8	67.5	0	0	0	0	121.3
748	E	32.6	Very low	32.7	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.794	76%	0.763	S	S	*	*			trans	-141.1	8.8	158.5	-88.5	-164.2	166.4	0	0	116.3
749	F	32.6	Very low	32.6	Very low	170 Å²	170	140.2 Å²	140.2	75%	0.746	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-4.3	-176.7	-140.4	-99.4	0	0	0	115.4	T751	F749-T751 VanDerWaalsContact C-N 3.32Å
750	H	32.7	Very low	32.7	Very low	193 Å²	193	140.1 Å²	140.1	89%	0.894	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	2.9	177.7	-111.6	-71.2	0	0	0	114.8
751	T	35.9	Very low	32.5	Very low	104 Å²	104	139.4 Å²	139.4	64%	0.638	76%	0.758	S	S	*	*	S	Bend	trans	-112.4	-14.9	178.2	20.5	0	0	0	0	114.9	F749	F749-T751 VanDerWaalsContact C-N 3.32Å
752	S	32.9	Very low	32.4	Very low	80 Å²	80	133.5 Å²	133.5	56%	0.559	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-12.7	-178.3	-158.4	0	0	0	0	114.6	K754	S752-K754 VanDerWaalsContact C-N 3.32Å; S752-K754 PolarHBondContact O-N 3.02Å
753	L	32.2	Very low	32.3	Very low	145 Å²	145	134.7 Å²	134.7	76%	0.759	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	1.1	-179.2	-122.4	139.7	0	0	0	114.4
754	K	36.5	Very low	32.2	Very low	186 Å²	186	135.9 Å²	135.9	81%	0.809	75%	0.754	S	S	*	*	S	Bend	trans	-104.2	-14.3	174.6	-100.4	-176.8	175.2	-178.7	0	115.7	S752	S752-K754 VanDerWaalsContact C-N 3.32Å; S752-K754 PolarHBondContact O-N 3.02Å
755	D	35.6	Very low	32.1	Very low	121 Å²	121	135.8 Å²	135.8	65%	0.647	75%	0.754	S	S	*	*	S	Bend	trans	-105.7	3.9	-173.4	-70.4	-10	0	0	0	115.1	F757	D755-F757 VanDerWaalsContact C-N 3.26Å; D755-F757 PolarHBondContact O-N 3.04Å
756	S	33	Very low	31.4	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	1.6	174.1	-68.6	0	0	0	0	114.5
757	F	32	Very low	31.2	Very low	208 Å²	208	145.4 Å²	145.4	91%	0.912	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	27.8	171.9	-81.1	-73.9	0	0	0	113.8	D755	D755-F757 VanDerWaalsContact C-N 3.26Å; D755-F757 PolarHBondContact O-N 3.04Å
758	S	29.7	Very low	31.1	Very low	87 Å²	87	144.6 Å²	144.6	61%	0.608	76%	0.764	S	S	*	*	S	Bend	trans	-156.5	73.1	173.6	39.8	0	0	0	0	112.8
759	N	29.8	Very low	30.9	Very low	152 Å²	152	142.5 Å²	142.5	81%	0.813	76%	0.763	S	S	*	*			trans	-162.6	113.9	134.6	-136.8	-20.8	0	0	0	112.3
760	P	33.7	Very low	30.5	Very low	104 Å²	104	141.8 Å²	141.8	68%	0.675	77%	0.765	S	S	*	*			trans	-86.2	114.1	172.6	32.1	-26	0	0	0	109.3
761	N	28.3	Very low	30.2	Very low	153 Å²	153	140 Å²	140	82%	0.818	76%	0.762	S	S	*	*			trans	169.9	154.2	151	-87.5	-34.1	0	0	0	107.7
762	V	27.7	Very low	29.7	Very low	112 Å²	112	140.5 Å²	140.5	68%	0.679	77%	0.768	S	S	*	*			trans	92.9	110.3	172.5	-169.4	0	0	0	0	112.9
763	Y	29.8	Very low	29.4	Very low	200 Å²	200	142.6 Å²	142.6	78%	0.784	78%	0.78	S	S	*	*			cis	-144.4	139.5	11.4	-91.4	-66	0	0	0	110.7	T765	Y763-T765 PolarHBondContact O-N 3.01Å
764	S	27.3	Very low	29.1	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	79%	0.785	S	S	*	*			trans	-60.8	114.1	157.5	59.7	0	0	0	0	109.8
765	T	29.2	Very low	28.8	Very low	131 Å²	131	141.1 Å²	141.1	80%	0.804	78%	0.782	S	S	*	*			trans	-119.7	110.8	167.1	-8.1	0	0	0	0	108	Y763 M767	Y763-T765 PolarHBondContact O-N 3.01Å; T765-M767 PolarHBondContact O-N 2.94Å
766	K	27.7	Very low	28.4	Very low	202 Å²	202	140.1 Å²	140.1	88%	0.878	79%	0.785	S	S	*	*			trans	-37.6	122.6	-179.7	-74.1	169	170.8	174.5	0	111.7	S768	K766-S768 PolarHBondContact O-N 2.76Å
767	M	25.9	Very low	28	Very low	191 Å²	191	141.4 Å²	141.4	94%	0.941	79%	0.788	S	S	*	*			trans	-56.2	103.9	157.3	-92.4	179.8	165.5	0	0	107.7	T765 T769	T765-M767 PolarHBondContact O-N 2.94Å; M767-T769 PolarHBondContact O-N 2.81Å
768	S	28.2	Very low	27.8	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	78%	0.78	S	S	*	*			trans	-65.1	116.5	165.8	39.5	0	0	0	0	108	K766 I770	K766-S768 PolarHBondContact O-N 2.76Å; S768-I770 PolarHBondContact O-N 2.7Å
769	T	27.2	Very low	27.6	Very low	127 Å²	127	139.6 Å²	139.6	78%	0.779	79%	0.791	S	S	*	*			trans	-48.9	108.7	170.4	-29.8	0	0	0	0	108.9	M767 L771	M767-T769 PolarHBondContact O-N 2.81Å; T769-L771 PolarHBondContact O-N 3.1Å
770	I	26.1	Very low	27.4	Very low	154 Å²	154	136.9 Å²	136.9	79%	0.79	78%	0.784	S	S	*	*			trans	-68.2	104	170.2	-64.7	174.1	0	0	0	105.9	S768 C772	S768-I770 PolarHBondContact O-N 2.7Å; I770-C772 PolarHBondContact O-N 3.19Å; I770-C772 VanDerWaalsContact O-N 3.11Å
771	L	26	Very low	27.1	Very low	157 Å²	157	138.4 Å²	138.4	82%	0.822	79%	0.792	S	S	*	*			trans	-56.7	112.9	169.5	-88.7	99.5	0	0	0	108.4	T769 P773	T769-L771 PolarHBondContact O-N 3.1Å; L771-P773 WeakPolarHBondContact O-CD 3.39Å
772	C	24	Very low	27	Very low	114 Å²	114	138.7 Å²	138.7	77%	0.77	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-63	122	162.9	-74.6	0	0	0	0	108.1	I770 Q774	I770-C772 PolarHBondContact O-N 3.19Å; I770-C772 VanDerWaalsContact O-N 3.11Å; C772-Q774 PolarHBondContact O-N 3.29Å
773	P	27.6	Very low	27	Very low	124 Å²	124	141.7 Å²	141.7	81%	0.805	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.9	123.9	179.9	26.1	-29.9	0	0	0	109.2	L771	L771-P773 WeakPolarHBondContact O-CD 3.39Å
774	Q	26	Very low	26.9	Very low	183 Å²	183	137.6 Å²	137.6	86%	0.855	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-57.9	127.6	171.3	-74.7	-109.8	-54.9	0	0	109.4	C772 S776	C772-Q774 PolarHBondContact O-N 3.29Å; Q774-S776 PolarHBondContact O-N 2.95Å
775	P	29.1	Very low	26.8	Very low	116 Å²	116	139.7 Å²	139.7	75%	0.753	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.3	126.1	177.8	27.3	-30.7	0	0	0	109.2	T777	P775-T777 PolarHBondContact O-N 3.2Å; P775-T777 VanDerWaalsContact O-N 3.1Å
776	S	27.3	Very low	26.7	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	80%	0.799	S	S	*	*			trans	-56.6	112	173.6	38.9	0	0	0	0	110.3	Q774 T778	Q774-S776 PolarHBondContact O-N 2.95Å; S776-T778 VanDerWaalsContact C-N 3.26Å; S776-T778 PolarHBondContact O-N 3.06Å
777	T	26.2	Very low	26.7	Very low	133 Å²	133	138 Å²	138	82%	0.816	80%	0.798	S	S	*	*			trans	-65.5	83.7	168.6	37.9	0	0	0	0	109.6	P775	P775-T777 PolarHBondContact O-N 3.2Å; P775-T777 VanDerWaalsContact O-N 3.1Å
778	T	27.1	Very low	26.8	Very low	119 Å²	119	132 Å²	132	73%	0.73	78%	0.784	S	S	*	*			trans	-97	92.1	161.3	38.4	0	0	0	0	107.9	S776 S780	S776-T778 VanDerWaalsContact C-N 3.26Å; S776-T778 PolarHBondContact O-N 3.06Å; T778-S780 VanDerWaalsContact C-N 3.29Å; T778-S780 PolarHBondContact O-N 3.12Å
779	T	25.7	Very low	26.8	Very low	137 Å²	137	132.7 Å²	132.7	84%	0.84	79%	0.789	S	S	*	*			trans	-57.7	88.4	165.7	25.5	0	0	0	0	109.3
780	S	26	Very low	26.8	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	79%	0.79	S	S	*	*			trans	-89.7	104.3	158.8	54.5	0	0	0	0	107.8	T778 L782	T778-S780 VanDerWaalsContact C-N 3.29Å; T778-S780 PolarHBondContact O-N 3.12Å; S780-L782 VanDerWaalsContact C-N 3.26Å; S780-L782 PolarHBondContact O-N 2.93Å
781	T	26.5	Very low	26.9	Very low	136 Å²	136	133.7 Å²	133.7	83%	0.834	80%	0.795	S	S	*	*			trans	-57.9	87.3	165.7	22.9	0	0	0	0	109.1	Q783	T781-Q783 PolarHBondContact O-N 2.73Å; T781-Q783 VanDerWaalsContact O-N 3.1Å
782	L	26.7	Very low	26.9	Very low	159 Å²	159	134.9 Å²	134.9	83%	0.832	80%	0.797	S	S	*	*			trans	-71.2	101	164.9	-83.6	159.2	0	0	0	107.6	S780	S780-L782 VanDerWaalsContact C-N 3.26Å; S780-L782 PolarHBondContact O-N 2.93Å
783	Q	27	Very low	27.1	Very low	174 Å²	174	134.4 Å²	134.4	81%	0.813	79%	0.794	S	S	*	*			trans	-53.1	132.2	168.2	-79.5	176.3	-40.6	0	0	109.2	T781 L785	T781-Q783 PolarHBondContact O-N 2.73Å; T781-Q783 VanDerWaalsContact O-N 3.1Å; Q783-L785 PolarHBondContact O-N 2.73Å; Q783-L785 VanDerWaalsContact O-N 3.15Å
784	P	27.1	Very low	27.2	Very low	114 Å²	114	133.8 Å²	133.8	74%	0.74	79%	0.791	S	S	*	*			trans	-67.3	117.6	179.9	26.5	-30.3	0	0	0	108.6	T786	P784-T786 VanDerWaalsContact C-N 3.34Å; P784-T786 PolarHBondContact O-N 3.08Å
785	L	26.3	Very low	27.2	Very low	162 Å²	162	130.5 Å²	130.5	85%	0.848	79%	0.785	S	S	*	*			trans	-55.8	101.8	163	-84.2	151.8	0	0	0	107.7	Q783 L787	Q783-L785 PolarHBondContact O-N 2.73Å; Q783-L785 VanDerWaalsContact O-N 3.15Å; L785-L787 PolarHBondContact O-N 2.88Å
786	T	27.4	Very low	27.1	Very low	135 Å²	135	132.8 Å²	132.8	83%	0.828	79%	0.791	S	S	*	*			trans	-63.4	85.6	164.5	38.3	0	0	0	0	107.6	P784 G788	P784-T786 VanDerWaalsContact C-N 3.34Å; P784-T786 PolarHBondContact O-N 3.08Å; T786-G788 PolarHBondContact O-N 2.79Å
787	L	27.6	Very low	27.1	Very low	164 Å²	164	135.2 Å²	135.2	86%	0.859	79%	0.794	S	S	*	*			trans	-61.7	107.5	161.2	-103.7	105.8	0	0	0	106.5	L785 S789	L785-L787 PolarHBondContact O-N 2.88Å; L787-S789 PolarHBondContact O-N 3.46Å; L787-S789 VanDerWaalsContact O-N 3.11Å
788	G	28.4	Very low	27.1	Very low	63 Å²	63	133.4 Å²	133.4	65%	0.649	79%	0.785	S	S	*	*			trans	-47.5	119.1	176.5	0	0	0	0	0	109.9	T786 T790	T786-G788 PolarHBondContact O-N 2.79Å; G788-T790 PolarHBondContact O-N 3.11Å
789	S	27	Very low	26.9	Very low	118 Å²	118	139.4 Å²	139.4	83%	0.825	79%	0.794	S	S	*	*			trans	-67.8	74.9	168	57.4	0	0	0	0	109	L787 L791	L787-S789 PolarHBondContact O-N 3.46Å; L787-S789 VanDerWaalsContact O-N 3.11Å; S789-L791 VanDerWaalsContact C-N 3.33Å
790	T	27.8	Very low	26.8	Very low	131 Å²	131	139.8 Å²	139.8	80%	0.804	79%	0.789	S	S	*	*			trans	-103.8	54.5	158.7	46.2	0	0	0	0	108.3	G788 Q792	G788-T790 PolarHBondContact O-N 3.11Å; T790-Q792 VanDerWaalsContact C-N 3.3Å; T790-Q792 PolarHBondContact O-N 3Å
791	L	28	Very low	26.8	Very low	171 Å²	171	140 Å²	140	90%	0.895	79%	0.791	S	S	*	*			trans	-83.1	91.1	155.7	-92.3	154.4	0	0	0	105.4	S789 S793	S789-L791 VanDerWaalsContact C-N 3.33Å; L791-S793 PolarHBondContact O-N 3.37Å
792	Q	27.2	Very low	26.7	Very low	183 Å²	183	138.3 Å²	138.3	86%	0.855	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-46.9	116.6	163.3	-83.7	173.9	-30.5	0	0	107.5	T790	T790-Q792 VanDerWaalsContact C-N 3.3Å; T790-Q792 PolarHBondContact O-N 3Å
793	S	27.4	Very low	26.6	Very low	103 Å²	103	139.7 Å²	139.7	72%	0.72	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-48.7	129.3	167	48.7	0	0	0	0	108.4	L791	L791-S793 PolarHBondContact O-N 3.37Å
794	P	28.8	Very low	26.4	Very low	112 Å²	112	135.4 Å²	135.4	73%	0.727	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-58.4	144.8	179.2	26.4	-33.5	0	0	0	109	N796	P794-N796 PolarHBondContact O-N 3.3Å
795	P	27.5	Very low	26.2	Very low	114 Å²	114	140.4 Å²	140.4	74%	0.74	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59	138.2	-173.2	23.8	-31.6	0	0	0	110	I797	P795-I797 VanDerWaalsContact C-N 3.33Å; P795-I797 PolarHBondContact O-N 2.79Å
796	N	26.9	Very low	26.2	Very low	164 Å²	164	141 Å²	141	88%	0.877	79%	0.787	S	S	*	*			trans	-50.1	95.8	170.2	-79.8	-34.5	0	0	0	109.4	P794 P798	P794-N796 PolarHBondContact O-N 3.3Å; N796-P798 WeakPolarHBondContact O-CD 3.27Å
797	I	26.9	Very low	26.1	Very low	151 Å²	151	143.8 Å²	143.8	77%	0.774	79%	0.788	S	S	*	*			trans	-65.3	117.6	166.8	-60.3	175.2	0	0	0	104.8	P795 R799	P795-I797 VanDerWaalsContact C-N 3.33Å; P795-I797 PolarHBondContact O-N 2.79Å; I797-R799 PolarHBondContact O-N 3.26Å
798	P	25.2	Very low	26.1	Very low	95 Å²	95	142 Å²	142	62%	0.617	79%	0.789	S	S	*	*			trans	-60.8	131.9	-175.9	25.3	-31.5	0	0	0	107.5	N796 I800	N796-P798 WeakPolarHBondContact O-CD 3.27Å; P798-I800 PolarHBondContact O-N 3.38Å
799	R	24.4	Very low	26.1	Very low	246 Å²	246	141.9 Å²	141.9	93%	0.928	79%	0.788	S	S	*	*			trans	-55.5	94.9	165.8	-74.8	-179	-176.6	177.2	0.9	106.9	I797 S801	I797-R799 PolarHBondContact O-N 3.26Å; R799-S801 PolarHBondContact O-N 3.17Å
800	I	23.8	Very low	26	Very low	144 Å²	144	143.7 Å²	143.7	74%	0.738	79%	0.789	S	S	*	*			trans	-69.1	92.7	165.2	-62.3	175	0	0	0	103.9	P798 S802	P798-I800 PolarHBondContact O-N 3.38Å; I800-S802 PolarHBondContact O-N 3.1Å
801	S	24.7	Very low	25.9	Very low	100 Å²	100	146.9 Å²	146.9	70%	0.699	79%	0.794	S	S	*	*			trans	-66.6	75.7	167	56.5	0	0	0	0	107.7	R799 F803	R799-S801 PolarHBondContact O-N 3.17Å; S801-F803 PolarHBondContact O-N 3.13Å
802	S	24.9	Very low	25.8	Very low	101 Å²	101	146 Å²	146	71%	0.706	79%	0.789	S	S	*	*			trans	-76.4	58.2	165.7	58.6	0	0	0	0	109.3	I800 A804	I800-S802 PolarHBondContact O-N 3.1Å; S802-A804 PolarHBondContact O-N 2.94Å
803	F	24.2	Very low	25.6	Very low	188 Å²	188	147.1 Å²	147.1	83%	0.825	79%	0.785	S	S	*	*			trans	-85.4	63.5	154	-79.1	-81.1	0	0	0	106.9	S801 Y805	S801-F803 PolarHBondContact O-N 3.13Å; F803-Y805 PolarHBondContact O-N 3.47Å; F803-Y805 VanDerWaalsContact O-N 3.15Å
804	A	23.9	Very low	25.4	Very low	84 Å²	84	150.8 Å²	150.8	69%	0.694	79%	0.791	S	S	*	*			trans	-76.6	99.8	165.7	0	0	0	0	0	106.2	S802 L806	S802-A804 PolarHBondContact O-N 2.94Å; A804-L806 PolarHBondContact O-N 3.39Å
805	Y	23	Very low	25.1	Very low	220 Å²	220	152.9 Å²	152.9	86%	0.863	79%	0.791	S	S	*	*			trans	-44.4	99	165.8	-91	-101.6	0	0	0	109.5	F803 K807	F803-Y805 PolarHBondContact O-N 3.47Å; F803-Y805 VanDerWaalsContact O-N 3.15Å; Y805-K807 PolarHBondContact O-N 2.89Å; Y805-K807 VanDerWaalsContact O-N 3.13Å
806	L	24.6	Very low	24.9	Very low	173 Å²	173	153 Å²	153	91%	0.906	79%	0.792	S	S	*	*			trans	-70	108.4	160.9	-86.4	163.5	0	0	0	106.2	A804 S808	A804-L806 PolarHBondContact O-N 3.39Å; L806-S808 PolarHBondContact O-N 2.79Å
807	K	25.6	Very low	24.8	Very low	195 Å²	195	153 Å²	153	85%	0.848	79%	0.791	S	S	*	*			trans	-44.5	129.9	178.6	-75.1	174.9	172.2	178	0	110.5	Y805 G809	Y805-K807 PolarHBondContact O-N 2.89Å; Y805-K807 VanDerWaalsContact O-N 3.13Å; K807-G809 PolarHBondContact O-N 3.33Å; K807-G809 VanDerWaalsContact O-N 3.15Å
808	S	27.6	Very low	24.6	Very low	125 Å²	125	151.2 Å²	151.2	87%	0.874	79%	0.792	S	S	*	*	S	Bend	trans	-47.3	112.7	162.3	53.6	0	0	0	0	110.3	L806	L806-S808 PolarHBondContact O-N 2.79Å
809	G	28.2	Very low	24.6	Very low	62 Å²	62	153.6 Å²	153.6	64%	0.639	80%	0.799	S	S	*	*			trans	156.8	51.4	177.2	0	0	0	0	0	112.8	K807	K807-G809 PolarHBondContact O-N 3.33Å; K807-G809 VanDerWaalsContact O-N 3.15Å
810	D	25.4	Very low	24.8	Very low	155 Å²	155	146.2 Å²	146.2	83%	0.829	79%	0.785	S	S	*	*			trans	-164.7	109.5	141.1	-92	-26.8	0	0	0	106.6	I812	D810-I812 PolarHBondContact O-N 3.26Å
811	Q	25.8	Very low	24.8	Very low	198 Å²	198	146.7 Å²	146.7	93%	0.925	79%	0.789	S	S	*	*			trans	-64.6	91.5	170.5	-73.1	-148.4	-16.6	0	0	107.8	R813	Q811-R813 PolarHBondContact O-N 3.3Å
812	I	25.7	Very low	25.1	Very low	152 Å²	152	146 Å²	146	78%	0.779	78%	0.784	S	S	*	*			trans	-65.2	92.1	159.3	-60	176.2	0	0	0	104.8	D810 Q814	D810-I812 PolarHBondContact O-N 3.26Å; I812-Q814 VanDerWaalsContact C-N 3.3Å; I812-Q814 PolarHBondContact O-N 3.07Å
813	R	23.3	Very low	25.6	Very low	207 Å²	207	144.9 Å²	144.9	78%	0.781	77%	0.773	S	S	*	*			trans	-51.3	102.1	164.8	-158	178.3	-165.9	-173	3.1	105.2	Q811 E815	Q811-R813 PolarHBondContact O-N 3.3Å; R813-E815 PolarHBondContact O-N 3.25Å
814	Q	23.8	Very low	26	Very low	180 Å²	180	137 Å²	137	84%	0.841	74%	0.74	S	S	*	*			trans	-61	90.3	161.5	-75.3	-178.8	-19.8	0	0	104.7	I812 P816	I812-Q814 VanDerWaalsContact C-N 3.3Å; I812-Q814 PolarHBondContact O-N 3.07Å; Q814-P816 WeakPolarHBondContact O-CD 3.37Å; Q814-P816 VanDerWaalsContact O-N 3.16Å
815	E	22.6	Very low	26.7	Very low	157 Å²	157	133.4 Å²	133.4	73%	0.734	71%	0.71	S	S	*	*			trans	-62	112.7	157.9	-80.8	-172.7	164.8	0	0	104.8	R813 L817	R813-E815 PolarHBondContact O-N 3.25Å; E815-L817 PolarHBondContact O-N 3.48Å
816	P	23.2	Very low	27.8	Very low	115 Å²	115	123 Å²	123	75%	0.747	67%	0.669	S	S	*	*			trans	-61.1	119.9	172.1	15.3	-9	0	0	0	104.8	Q814 S818	Q814-P816 WeakPolarHBondContact O-CD 3.37Å; Q814-P816 VanDerWaalsContact O-N 3.16Å; P816-S818 VanDerWaalsContact C-N 3.26Å; P816-S818 PolarHBondContact O-N 3.34Å
817	L	24.7	Very low	28.5	Very low	165 Å²	165	114.9 Å²	114.9	86%	0.864	63%	0.627	S	S	*	*			trans	-43.6	103.5	161.8	-84.5	148.7	0	0	0	105.8	E815 L819	E815-L817 PolarHBondContact O-N 3.48Å; L817-L819 PolarHBondContact O-N 2.97Å
818	S	22	Very low	28.8	Very low	113 Å²	113	105.9 Å²	105.9	79%	0.79	59%	0.588	S	S	*	*			trans	-67.7	87.6	172.6	56.4	0	0	0	0	104.4	P816 S820	P816-S818 VanDerWaalsContact C-N 3.26Å; P816-S818 PolarHBondContact O-N 3.34Å; S818-S820 PolarHBondContact O-N 2.99Å
819	L	25.8	Very low	29.3	Very low	145 Å²	145	100.1 Å²	100.1	76%	0.759	55%	0.548	S	S	*	.			trans	-48.3	101.8	151.5	-83	144.7	0	0	0	103.4	L817 N821	L817-L819 PolarHBondContact O-N 2.97Å; L819-N821 PolarHBondContact O-N 2.75Å; L819-N821 VanDerWaalsContact O-N 3.17Å
820	S	27.5	Very low	29.6	Very low	92 Å²	92	98.6 Å²	98.6	64%	0.643	52%	0.524	S	S	*	.			trans	-48.7	131.2	168.9	53.5	0	0	0	0	105	S818 S822	S818-S820 PolarHBondContact O-N 2.99Å; S820-S822 PolarHBondContact O-N 3.43Å
821	N	25.2	Very low	30	Very low	154 Å²	154	93.4 Å²	93.4	82%	0.824	50%	0.495	S	S	*	.			trans	-67.2	53.5	177.8	-82.4	-30	0	0	0	110	L819 T823	L819-N821 PolarHBondContact O-N 2.75Å; L819-N821 VanDerWaalsContact O-N 3.17Å; N821-T823 VanDerWaalsContact C-N 3.26Å; N821-T823 PolarHBondContact O-N 3.37Å
822	S	31.1	Very low	30.2	Very low	86 Å²	86	85.1 Å²	85.1	60%	0.601	46%	0.459	S	S	*	.			trans	-71.8	89.8	167.1	65.4	0	0	0	0	106.6	S820 T824	S820-S822 PolarHBondContact O-N 3.43Å; S822-T824 PolarHBondContact O-N 2.9Å; S822-T824 PolarHBondContact O-OG1 3.03Å
823	T	34.5	Very low	30.2	Very low	77 Å²	77	79 Å²	79	47%	0.472	43%	0.43	S	S	.	.			trans	-75.8	97.2	-174.6	48.5	0	0	0	0	110.5	N821	N821-T823 VanDerWaalsContact C-N 3.26Å; N821-T823 PolarHBondContact O-N 3.37Å
824	T	33	Very low	30.5	Very low	22 Å²	22	72.3 Å²	72.3	14%	0.135	41%	0.405	C	S	.	.			trans	-88.3	148.2	174	-0.7	0	0	0	0	110.6	Q566 R605 S822 S828	Q566-T824 HydrophobicContact CG-CG2 4.35Å; R605-T824 WeakPolarHBondContact CD-O 3.14Å; R605-T824 PolarHBondContact NE-O 2.88Å; S822-T824 PolarHBondContact O-N 2.9Å; S822-T824 PolarHBondContact O-OG1 3.03Å; T824-S828 VanDerWaalsContact CG2-CB 3.49Å; T824-S828 WeakPolarHBondContact CG2-OG 3.38Å
825	S	38.1	Very low	30.7	Very low	8 Å²	8	67.2 Å²	67.2	6%	0.056	39%	0.388	C	S	.	.			trans	-78.5	175.8	-178.7	-177.2	0	0	0	0	111.7	D564 Q566 Y574 I827 S828	D564-S825 VanDerWaalsContact OD1-CB 3.26Å; D564-S825 WeakPolarHBondContact OD1-CB 3.15Å; D564-S825 PolarHBondContact OD1-OG 3.01Å; D564-S825 PolarHBondContact OD2-OG 3.47Å; D564-S825 VanDerWaalsContact OD2-OG 3.14Å; Q566-S825 VanDerWaalsContact CB-CB 3.47Å; Y574-S825 WeakPolarHBondContact OH-CB 3.42Å; Y574-S825 PolarHBondContact OH-OG 3.37Å; Y574-S825 VanDerWaalsContact OH-OG 3.12Å; S825-I827 PolarHBondContact O-N 2.69Å; S825-S828 PolarHBondContact O-N 3.07Å
826	C	46.7	Very low	30.9	Very low	1 Å²	1	67.9 Å²	67.9	1%	0.007	39%	0.391	C	S	.	.	S	Bend	trans	-32.4	-52.9	-174.8	-91.2	0	0	0	0	113.7	F157 P580 C606 Y611	F157-C826 WeakPolarHBondContact CD2-O 2.96Å; F157-C826 WeakPolarHBondContact CE2-O 2.84Å; P580-C826 HydrophobicContact CG-CB 3.95Å; C606-C826 WeakPolarHBondContact CA-SG 3.48Å; C606-C826 HydrophobicContact CB-CB 4.25Å; C606-C826 WeakPolarHBondContact CB-SG 3.49Å; C606-C826 WeakPolarHBondContact SG-CA 3.44Å; C606-C826 WeakPolarHBondContact SG-CB 3.46Å; C606-C826 CovalentContact SG-SG 2.02Å; C606-C826 PolarHBondContact SG-SG 2.82Å; Y611-C826 PolarHBondContact OH-SG 3.26Å
827	I	39.4	Very low	31	Very low	3 Å²	3	66.1 Å²	66.1	2%	0.015	39%	0.386	C	S	.	.	S	Bend	trans	-121.1	83.6	-179.4	-51.8	172.4	0	0	0	108.1	F157 M205 L579 P580 S825 Y829	F157-I827 HydrophobicContact CD2-CB 4.36Å; F157-I827 HydrophobicContact CD2-CG1 3.83Å; F157-I827 HydrophobicContact CE2-CG1 3.65Å; M205-I827 HydrophobicContact CE-CG2 3.84Å; L579-I827 HydrophobicContact CB-CD1 3.47Å; L579-I827 VanDerWaalsContact CB-CD1 3.47Å; L579-I827 HydrophobicContact CD1-CD1 3.82Å; L579-I827 HydrophobicContact CG-CD1 4.26Å; P580-I827 HydrophobicContact CG-CD1 3.87Å; P580-I827 HydrophobicContact CG-CG1 4.24Å; S825-I827 PolarHBondContact O-N 2.69Å; I827-Y829 HydrophobicContact CB-CE2 4.32Å; I827-Y829 HydrophobicContact CG2-CD1 3.87Å; I827-Y829 HydrophobicContact CG2-CD2 3.45Å; I827-Y829 VanDerWaalsContact CG2-CD2 3.45Å; I827-Y829 HydrophobicContact CG2-CE1 3.56Å; I827-Y829 HydrophobicContact CG2-CE2 3.12Å; I827-Y829 HydrophobicContact CG2-CG 3.85Å; I827-Y829 PolarHBondContact O-N 2.97Å; I827-Y829 VanDerWaalsContact O-N 3.09Å
828	S	31.8	Very low	30.9	Very low	6 Å²	6	68.3 Å²	68.3	4%	0.042	39%	0.388	C	S	.	.			trans	-75	94.5	167.5	173.1	0	0	0	0	109.4	T824 S825 H830	T824-S828 VanDerWaalsContact CG2-CB 3.49Å; T824-S828 WeakPolarHBondContact CG2-OG 3.38Å; S825-S828 PolarHBondContact O-N 3.07Å; S828-H830 PolarHBondContact O-N 3.41Å
829	Y	38.1	Very low	31	Very low	5 Å²	5	72.3 Å²	72.3	2%	0.02	39%	0.392	C	S	.	.			trans	-89.5	73.8	163.3	-63.6	-54.3	0	0	0	109.6	Y200 M205 Y206 E273 L458 H575 L579 I827 M831	Y200-Y829 AromaticContact CE2-CD1 3.73Å; Y200-Y829 HydrophobicContact CE2-CD1 3.73Å; Y200-Y829 HydrophobicContact CE2-CE1 4.18Å; Y200-Y829 AromaticContact CZ-CD1 3.89Å; Y200-Y829 WeakPolarHBondContact OH-CA 3.49Å; Y200-Y829 VanDerWaalsContact OH-CD1 3.24Å; Y200-Y829 WeakPolarHBondContact OH-CD1 3.47Å; M205-Y829 HydrophobicContact CE-CE1 3.78Å; Y206-Y829 PolarHBondContact OH-OH 3.42Å; E273-Y829 WeakPolarHBondContact OE1-CE2 3.41Å; E273-Y829 VanDerWaalsContact OE2-CZ 3.26Å; E273-Y829 PolarHBondContact OE2-OH 2.72Å; L458-Y829 VanDerWaalsContact CD1-O 3.26Å; L458-Y829 WeakPolarHBondContact CD1-O 3.5Å; H575-Y829 AromaticContact CD2-CD2 3.75Å; L579-Y829 HydrophobicContact CD1-CE2 3.79Å; L579-Y829 WeakPolarHBondContact CD1-OH 3.3Å; I827-Y829 HydrophobicContact CB-CE2 4.32Å; I827-Y829 HydrophobicContact CG2-CD1 3.87Å; I827-Y829 HydrophobicContact CG2-CD2 3.45Å; I827-Y829 VanDerWaalsContact CG2-CD2 3.45Å; I827-Y829 HydrophobicContact CG2-CE1 3.56Å; I827-Y829 HydrophobicContact CG2-CE2 3.12Å; I827-Y829 HydrophobicContact CG2-CG 3.85Å; I827-Y829 PolarHBondContact O-N 2.97Å; I827-Y829 VanDerWaalsContact O-N 3.09Å; Y829-M831 PolarHBondContact O-N 3.43Å
830	H	33	Very low	30.9	Very low	30 Å²	30	73.1 Å²	73.1	14%	0.139	40%	0.396	C	S	.	.			trans	-78.2	118.8	159.9	-90.4	-82.2	0	0	0	108	R156 E461 S828 S832	R156-H830 VanDerWaalsContact NH1-CB 3.31Å; E461-H830 IonicContact OE2-CE1 3.44Å; E461-H830 PolarHBondContact OE2-CE1 3.26Å; E461-H830 IonicContact OE2-ND1 3.55Å; S828-H830 PolarHBondContact O-N 3.41Å; H830-S832 PolarHBondContact O-N 3.4Å; H830-S832 VanDerWaalsContact O-N 3.13Å
831	M	34.3	Very low	30.7	Very low	46 Å²	46	76.7 Å²	76.7	23%	0.227	41%	0.408	C	S	.	.	S	Bend	trans	-54.5	118.6	161.3	-79	173.7	49.2	0	0	108.2	F416 A459 H462 Y829 S833	F416-M831 HydrophobicContact CE1-CE 3.89Å; F416-M831 HydrophobicContact CE1-SD 4.44Å; F416-M831 HydrophobicContact CE2-CE 3.85Å; F416-M831 HydrophobicContact CZ-CE 3.15Å; F416-M831 HydrophobicContact CZ-SD 3.93Å; A459-M831 HydrophobicContact CB-CE 4.28Å; A459-M831 HydrophobicContact CB-SD 3.64Å; H462-M831 PolarHBondContact CD2-O 2.92Å; H462-M831 PolarHBondContact CE1-O 3.23Å; H462-M831 PolarHBondContact ND1-O 2.99Å; H462-M831 VanDerWaalsContact ND1-O 3.12Å; H462-M831 PolarHBondContact NE2-O 2.79Å; Y829-M831 PolarHBondContact O-N 3.43Å; M831-S833 PolarHBondContact O-N 2.58Å
832	S	30.6	Very low	30.6	Very low	23 Å²	23	80.2 Å²	80.2	16%	0.161	41%	0.41	C	S	.	.			trans	44	51.1	156.7	74.2	0	0	0	0	122.9	H462 K466 H830 Y834	H462-S832 PolarHBondContact CE1-O 2.6Å; H462-S832 VanDerWaalsContact NE2-C 3.26Å; H462-S832 PolarHBondContact NE2-O 3.38Å; H462-S832 PolarHBondContact NE2-OG 3.03Å; K466-S832 WeakPolarHBondContact CE-O 3.42Å; K466-S832 PolarHBondContact NZ-OG 3.28Å; H830-S832 PolarHBondContact O-N 3.4Å; H830-S832 VanDerWaalsContact O-N 3.13Å; S832-Y834 PolarHBondContact O-N 3.42Å; S832-Y834 VanDerWaalsContact O-N 3.08Å
833	S	25.6	Very low	30.4	Very low	24 Å²	24	83.1 Å²	83.1	17%	0.168	42%	0.418	C	S	.	.			trans	-56.6	96	148.7	63.4	0	0	0	0	115.5	W153 R156 H462 M831	W153-S833 WeakPolarHBondContact CH2-O 3.43Å; W153-S833 VanDerWaalsContact CH2-OG 3.32Å; W153-S833 WeakPolarHBondContact CH2-OG 3.34Å; W153-S833 WeakPolarHBondContact CZ2-O 3.27Å; W153-S833 VanDerWaalsContact CZ3-N 3.33Å; W153-S833 WeakPolarHBondContact CZ3-OG 3.4Å; R156-S833 PolarHBondContact NH1-OG 2.63Å; R156-S833 VanDerWaalsContact NH2-CB 3.34Å; R156-S833 PolarHBondContact NH2-OG 2.89Å; H462-S833 PolarHBondContact CE1-N 3.41Å; H462-S833 VanDerWaalsContact CE1-N 3.33Å; M831-S833 PolarHBondContact O-N 2.58Å
834	Y	29	Very low	29.9	Very low	66 Å²	66	85.3 Å²	85.3	26%	0.259	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-76.5	122.6	166.2	-70.4	-77.2	0	0	0	109.1	L405 S832	L405-Y834 HydrophobicContact CB-CD1 4.33Å; L405-Y834 HydrophobicContact CD2-CD1 4.02Å; L405-Y834 HydrophobicContact CD2-CE1 4.44Å; L405-Y834 WeakPolarHBondContact O-CD1 3.46Å; S832-Y834 PolarHBondContact O-N 3.42Å; S832-Y834 VanDerWaalsContact O-N 3.08Å
835	P	27.5	Very low	29.7	Very low	74 Å²	74	91.7 Å²	91.7	48%	0.481	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-72.2	145.8	179.6	-7.7	22.9	0	0	0	112
836	E	26.9	Very low	29.2	Very low	171 Å²	171	100.7 Å²	100.7	80%	0.799	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-54.8	132.7	-178.1	-64.3	176	142.9	0	0	114.5
837	A	25.6	Very low	28.2	Very low	78 Å²	78	109.7 Å²	109.7	65%	0.645	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-82.2	120	153.2	0	0	0	0	0	108.7	F839	A837-F839 PolarHBondContact O-N 3Å
838	K	23.3	Very low	27.5	Very low	210 Å²	210	116.4 Å²	116.4	91%	0.913	58%	0.584	S	S	*	*			trans	-50.7	103.5	172.6	-83.9	178.7	173.5	175.9	0	110.5	L840	K838-L840 PolarHBondContact O-N 3.07Å
839	F	24.1	Very low	27.3	Very low	198 Å²	198	123 Å²	123	87%	0.868	62%	0.619	S	S	*	*			trans	-70.1	120.3	169.2	-113.4	-92.2	0	0	0	109.3	A837 N841	A837-F839 PolarHBondContact O-N 3Å; F839-N841 PolarHBondContact O-N 3.4Å; F839-N841 VanDerWaalsContact O-N 3.12Å
840	L	23.7	Very low	27	Very low	161 Å²	161	128.8 Å²	128.8	84%	0.843	65%	0.654	S	S	*	*			trans	-59.8	112.8	171.6	-85.2	159.1	0	0	0	109.5	K838 R842	K838-L840 PolarHBondContact O-N 3.07Å; L840-R842 PolarHBondContact O-N 3.26Å
841	N	23.1	Very low	26.9	Very low	167 Å²	167	134.3 Å²	134.3	89%	0.893	69%	0.685	S	S	*	*			trans	-41.1	109.7	168.4	-89.5	-30.4	0	0	0	111.3	F839	F839-N841 PolarHBondContact O-N 3.4Å; F839-N841 VanDerWaalsContact O-N 3.12Å
842	R	23.9	Very low	26.8	Very low	229 Å²	229	141.7 Å²	141.7	86%	0.864	72%	0.716	S	S	*	*			trans	-138	128.8	158.6	-82	-162.5	-164	-156.4	5.4	110.5	L840	L840-R842 PolarHBondContact O-N 3.26Å
843	L	25.8	Very low	26.8	Very low	147 Å²	147	149 Å²	149	77%	0.77	75%	0.747	S	S	*	*			trans	87	77.8	162.4	-54.9	166.2	0	0	0	115.5	I845	L843-I845 PolarHBondContact O-N 2.93Å
844	S	25.1	Very low	27.1	Very low	122 Å²	122	153.2 Å²	153.2	85%	0.853	77%	0.774	S	S	*	*			trans	-34.4	101.4	140	51.1	0	0	0	0	112.4
845	I	28.3	Very low	27.3	Very low	156 Å²	156	155.7 Å²	155.7	80%	0.8	80%	0.798	S	S	*	*			trans	-96	114.5	166.2	-63.7	176.2	0	0	0	107.1	L843 Q847	L843-I845 PolarHBondContact O-N 2.93Å; I845-Q847 PolarHBondContact O-N 3.13Å
846	K	27.6	Very low	27.5	Very low	198 Å²	198	157.8 Å²	157.8	86%	0.861	81%	0.812	S	S	*	*			trans	-54.1	121	178.1	-75.8	177.6	172.6	179.2	0	110.5	N848	K846-N848 PolarHBondContact O-N 2.73Å
847	Q	25.1	Very low	27.5	Very low	189 Å²	189	155.1 Å²	155.1	88%	0.883	81%	0.809	S	S	*	*			trans	-61.7	115.1	165.5	-76	175.5	-23.7	0	0	109.5	I845	I845-Q847 PolarHBondContact O-N 3.13Å
848	N	24.7	Very low	27.8	Very low	144 Å²	144	157.5 Å²	157.5	77%	0.77	82%	0.818	S	S	*	*			trans	-154	96.9	158.6	-102.7	-7.3	0	0	0	107.4	K846	K846-N848 PolarHBondContact O-N 2.73Å
849	N	28.8	Very low	28.3	Very low	145 Å²	145	155 Å²	155	78%	0.775	81%	0.813	S	S	*	*				175.3	123.5	117.9	-94.9	-20.2	0	0	0	111.2	N851	N849-N851 PolarHBondContact O-N 3.06Å
850	T	29.9	Very low	28.6	Very low	126 Å²	126	151 Å²	151	77%	0.773	81%	0.807	S	S	*	*			trans	-58.7	105.7	166	48.2	0	0	0	0	110.8
851	N	31.5	Very low	28.8	Very low	146 Å²	146	148 Å²	148	78%	0.781	80%	0.8	S	S	*	*			trans	-115.6	96.3	159.5	-83.3	-23.6	0	0	0	108	N849 H853	N849-N851 PolarHBondContact O-N 3.06Å; N851-H853 PolarHBondContact O-N 3.24Å
852	K	32.4	Very low	29.2	Very low	202 Å²	202	147.8 Å²	147.8	88%	0.878	80%	0.799	S	S	*	*			trans	-57	115.4	172.7	-73.5	177.6	174.9	179	0	108.6
853	H	31	Very low	29.5	Very low	176 Å²	176	146 Å²	146	82%	0.815	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-60.7	130.5	168.9	-79.8	-88.3	0	0	0	109.7	N851	N851-H853 PolarHBondContact O-N 3.24Å
854	P	31.4	Very low	29.8	Very low	112 Å²	112	142.5 Å²	142.5	73%	0.727	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.4	142.2	171.2	27.6	-30.5	0	0	0	109.9
855	P	33.5	Very low	30	Very low	119 Å²	119	146.5 Å²	146.5	77%	0.773	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70.2	151.6	-175.5	28.3	-33.2	0	0	0	112
856	P	31	Very low	29.8	Very low	118 Å²	118	144.8 Å²	144.8	77%	0.766	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-70.4	155.8	-175.5	27.9	-33	0	0	0	112.7
857	P	28.3	Very low	29.9	Very low	115 Å²	115	140.1 Å²	140.1	75%	0.747	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.5	149.7	-176.3	-6.2	20.8	0	0	0	112.2
858	P	31.5	Very low	29.9	Very low	127 Å²	127	137.2 Å²	137.2	83%	0.825	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-71.1	130.8	-176	27.6	-32.1	0	0	0	112.2
859	I	33.1	Very low	30	Very low	158 Å²	158	133.9 Å²	133.9	81%	0.81	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-71.6	132.7	178	-61	169.4	0	0	0	109.3	S861	I859-S861 PolarHBondContact O-N 3.41Å
860	P	30.1	Very low	29.8	Very low	113 Å²	113	132.8 Å²	132.8	73%	0.734	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-66.7	126.8	179.7	-14.5	28	0	0	0	111.5	N862	P860-N862 PolarHBondContact O-N 3.17Å; P860-N862 VanDerWaalsContact O-N 3.08Å
861	S	29.2	Very low	29.7	Very low	100 Å²	100	132.2 Å²	132.2	70%	0.699	81%	0.806	S	S	*	*			trans	-69.5	94.4	177	54.6	0	0	0	0	111.5	I859	I859-S861 PolarHBondContact O-N 3.41Å
862	N	31.8	Very low	29.4	Very low	162 Å²	162	133.6 Å²	133.6	87%	0.866	81%	0.813	S	S	*	*			trans	-93.9	99.1	163.4	-94.1	-13.9	0	0	0	109.8	P860 G864	P860-N862 PolarHBondContact O-N 3.17Å; P860-N862 VanDerWaalsContact O-N 3.08Å; N862-G864 PolarHBondContact O-N 2.83Å
863	H	28.6	Very low	29.2	Very low	192 Å²	192	127.4 Å²	127.4	89%	0.889	81%	0.807	S	S	*	*			trans	-62.3	113.1	163.5	-77.9	-74.8	0	0	0	109.8
864	G	32.4	Very low	28.9	Very low	72 Å²	72	124.5 Å²	124.5	74%	0.742	81%	0.806	S	S	*	*			trans	-151.2	112.2	171.3	0	0	0	0	0	109.5	N862	N862-G864 PolarHBondContact O-N 2.83Å
865	K	29.2	Very low	28.7	Very low	207 Å²	207	127.6 Å²	127.6	90%	0.9	82%	0.816	S	S	*	*			trans	-58.4	140.7	-167.7	-72.4	170.8	173.8	175.3	0	113.6	A867	K865-A867 PolarHBondContact O-N 3.06Å
866	S	25.6	Very low	28.4	Very low	120 Å²	120	126.5 Å²	126.5	84%	0.839	81%	0.811	S	S	*	*			trans	-37.9	123.2	161.8	52	0	0	0	0	113.9
867	A	28.3	Very low	28.1	Very low	99 Å²	99	129.5 Å²	129.5	82%	0.818	82%	0.819	S	S	*	*			trans	-131.9	98.6	156	0	0	0	0	0	108.1	K865	K865-A867 PolarHBondContact O-N 3.06Å
868	S	25.2	Very low	28	Very low	128 Å²	128	131.2 Å²	131.2	90%	0.895	82%	0.821	S	S	*	*			trans	-61.5	124.8	163.7	50.4	0	0	0	0	109.4
869	G	27.1	Very low	27.7	Very low	75 Å²	75	130.3 Å²	130.3	77%	0.773	82%	0.818	S	S	*	*			trans	-160	83.6	176.4	0	0	0	0	0	110.8
870	S	25.3	Very low	27.5	Very low	122 Å²	122	128.1 Å²	128.1	85%	0.853	82%	0.817	S	S	*	*			trans	-69.5	125.6	163.1	57.1	0	0	0	0	109.7
871	S	27.2	Very low	27.4	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	82%	0.823	S	S	*	*			trans	-164.3	124.3	147.4	47	0	0	0	0	111.9	G873	S871-G873 PolarHBondContact O-N 3.36Å
872	N	26	Very low	27.3	Very low	175 Å²	175	132.9 Å²	132.9	94%	0.936	83%	0.828	S	S	*	*			trans	-54.3	123.2	164.3	-70.7	-34.4	0	0	0	110.1
873	G	26.6	Very low	27.1	Very low	71 Å²	71	130.7 Å²	130.7	73%	0.732	83%	0.825	S	S	*	*			trans	-123.8	90.7	172.5	0	0	0	0	0	110	S871 L875	S871-G873 PolarHBondContact O-N 3.36Å; G873-L875 PolarHBondContact O-N 3.05Å
874	S	26.5	Very low	26.9	Very low	116 Å²	116	126.4 Å²	126.4	81%	0.811	82%	0.817	S	S	*	*			trans	-56.2	118.8	166.6	43.7	0	0	0	0	110.6	S876	S874-S876 PolarHBondContact O-N 2.82Å; S874-S876 VanDerWaalsContact O-N 3.15Å
875	L	26.9	Very low	26.7	Very low	176 Å²	176	128 Å²	128	92%	0.921	81%	0.814	S	S	*	*			trans	-67.3	104	176	-86.9	149.2	0	0	0	110.5	G873	G873-L875 PolarHBondContact O-N 3.05Å
876	S	26.8	Very low	26.6	Very low	97 Å²	97	125 Å²	125	68%	0.678	81%	0.813	S	S	*	*			trans	-81.8	126.3	163.6	48.5	0	0	0	0	109.8	S874 I878	S874-S876 PolarHBondContact O-N 2.82Å; S874-S876 VanDerWaalsContact O-N 3.15Å; S876-I878 PolarHBondContact O-N 3.03Å; S876-I878 VanDerWaalsContact O-N 3.15Å
877	L	25.6	Very low	26.8	Very low	180 Å²	180	128.8 Å²	128.8	94%	0.942	82%	0.815	S	S	*	*			trans	-59.5	106.7	174.6	-76.7	141.9	0	0	0	110.5
878	I	25.8	Very low	26.7	Very low	151 Å²	151	127.7 Å²	127.7	77%	0.774	81%	0.813	S	S	*	*			trans	-92.7	108.4	165.3	-64.3	176.7	0	0	0	107.7	S876 S880	S876-I878 PolarHBondContact O-N 3.03Å; S876-I878 VanDerWaalsContact O-N 3.15Å; I878-S880 PolarHBondContact O-N 3.13Å
879	S	24.9	Very low	26.7	Very low	108 Å²	108	127.4 Å²	127.4	76%	0.755	81%	0.811	S	S	*	*			trans	-69.2	104.5	170.5	70.8	0	0	0	0	109.7	K881	S879-K881 PolarHBondContact O-N 3.3Å
880	S	28.7	Very low	26.6	Very low	113 Å²	113	129 Å²	129	79%	0.79	81%	0.81	S	S	*	*			trans	-79.6	109.8	167.5	54.2	0	0	0	0	109.3	I878 S882	I878-S880 PolarHBondContact O-N 3.13Å; S880-S882 PolarHBondContact O-N 3.01Å
881	K	27.4	Very low	26.7	Very low	198 Å²	198	132.3 Å²	132.3	86%	0.861	81%	0.814	S	S	*	*			trans	-53.8	126.7	172.2	-76.9	176.3	174.3	176.5	0	110.7	S879 S883	S879-K881 PolarHBondContact O-N 3.3Å; K881-S883 PolarHBondContact O-N 3.45Å
882	S	27.1	Very low	26.8	Very low	115 Å²	115	134.3 Å²	134.3	80%	0.804	82%	0.816	S	S	*	*			trans	-65.1	106.9	170	53.6	0	0	0	0	111	S880	S880-S882 PolarHBondContact O-N 3.01Å
883	S	27.3	Very low	26.7	Very low	115 Å²	115	133 Å²	133	80%	0.804	81%	0.814	S	S	*	*			trans	-94.3	96.9	157.7	48.5	0	0	0	0	108.4	K881	K881-S883 PolarHBondContact O-N 3.45Å
884	S	24.9	Very low	26.7	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	81%	0.814	S	S	*	*			trans	-63.8	121.3	172.2	42.6	0	0	0	0	111.1	T886	S884-T886 PolarHBondContact O-N 3.27Å
885	P	28.8	Very low	26.7	Very low	106 Å²	106	138.7 Å²	138.7	69%	0.688	82%	0.818	S	S	*	*			trans	-80.8	117	170	27.3	-21.5	0	0	0	109.5	F887	P885-F887 PolarHBondContact O-N 3.19Å
886	T	25.9	Very low	26.8	Very low	142 Å²	142	135.5 Å²	135.5	87%	0.871	81%	0.81	S	S	*	*			trans	-55.3	107	166	39.2	0	0	0	0	110.7	S884	S884-T886 PolarHBondContact O-N 3.27Å
887	F	30.2	Very low	26.8	Very low	201 Å²	201	139.3 Å²	139.3	88%	0.882	82%	0.816	S	S	*	*			trans	-98.4	122.2	163.4	-97.1	-85.9	0	0	0	109.5	P885	P885-F887 PolarHBondContact O-N 3.19Å
888	G	27	Very low	27	Very low	75 Å²	75	138 Å²	138	77%	0.773	81%	0.81	S	S	*	*			trans	-62	136.5	-167.5	0	0	0	0	0	114.5	S890	G888-S890 PolarHBondContact O-N 3.38Å
889	S	23.9	Very low	27.1	Very low	122 Å²	122	138.3 Å²	138.3	85%	0.853	81%	0.809	S	S	*	*			trans	-78.9	101.1	163.9	54.7	0	0	0	0	110
890	S	25.3	Very low	27.3	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	82%	0.815	S	S	*	*			trans	-163.3	99.3	151	58.8	0	0	0	0	110.5	G888	G888-S890 PolarHBondContact O-N 3.38Å
891	M	28.1	Very low	27.1	Very low	192 Å²	192	147 Å²	147	95%	0.946	82%	0.815	S	S	*	*			trans	-149	120	149.7	-116.2	172.6	175	0	0	110
892	N	28.3	Very low	27.2	Very low	156 Å²	156	142.8 Å²	142.8	83%	0.834	81%	0.805	S	S	*	*			trans	-61	136.3	-168	-76	-39.3	0	0	0	112.6	S894	N892-S894 PolarHBondContact O-N 3.45Å
893	T	24.2	Very low	27.1	Very low	146 Å²	146	146.3 Å²	146.3	90%	0.896	81%	0.806	S	S	*	*			trans	-71.6	107.2	164.8	42.1	0	0	0	0	109.8
894	S	26.7	Very low	27.2	Very low	104 Å²	104	148.6 Å²	148.6	73%	0.727	80%	0.804	S	S	*	*			trans	-140	97.5	164.1	51.7	0	0	0	0	111.7	N892	N892-S894 PolarHBondContact O-N 3.45Å
895	K	26.2	Very low	27.3	Very low	204 Å²	204	153.3 Å²	153.3	89%	0.887	81%	0.812	S	S	*	*			trans	21.2	117.5	140.4	-63.5	177.5	178.1	177.6	0	117.4
896	S	29.2	Very low	27.3	Very low	108 Å²	108	156.7 Å²	156.7	76%	0.755	82%	0.818	S	S	*	*				-169.6	105.4	110.2	55	0	0	0	0	110.5	N898	S896-N898 PolarHBondContact O-N 3.27Å; S896-N898 VanDerWaalsContact O-N 3.12Å
897	H	27.3	Very low	27.4	Very low	177 Å²	177	157.7 Å²	157.7	82%	0.819	82%	0.818	S	S	*	*			trans	-69.5	98.2	166	-96	-48.1	0	0	0	108.9
898	N	29.4	Very low	27.3	Very low	152 Å²	152	156.9 Å²	156.9	81%	0.813	81%	0.814	S	S	*	*			trans	-95.7	81.3	156.9	-91.8	-21.1	0	0	0	108.3	S896 R900	S896-N898 PolarHBondContact O-N 3.27Å; S896-N898 VanDerWaalsContact O-N 3.12Å; N898-R900 PolarHBondContact O-N 2.96Å
899	Q	28.3	Very low	27.3	Very low	159 Å²	159	161 Å²	161	74%	0.743	82%	0.818	S	S	*	*			trans	-65.4	95.5	166.5	-81	-177.2	-12.9	0	0	108.8	Q901	Q899-Q901 PolarHBondContact O-N 3.14Å; Q899-Q901 VanDerWaalsContact O-N 3.15Å
900	R	28.1	Very low	27.4	Very low	234 Å²	234	166.3 Å²	166.3	88%	0.883	82%	0.819	S	S	*	*			trans	-70.7	103	160.1	-86.1	-176.6	173.4	179.7	-1.1	107.8	N898 V902	N898-R900 PolarHBondContact O-N 2.96Å; R900-V902 PolarHBondContact O-N 3Å
901	Q	25.6	Very low	27.5	Very low	169 Å²	169	169 Å²	169	79%	0.79	82%	0.824	S	S	*	*			trans	-59.4	99.1	167.9	-75	-177.9	-13.1	0	0	109.7	Q899 K903	Q899-Q901 PolarHBondContact O-N 3.14Å; Q899-Q901 VanDerWaalsContact O-N 3.15Å; Q901-K903 PolarHBondContact O-N 3.14Å
902	V	28.7	Very low	27.4	Very low	109 Å²	109	167 Å²	167	66%	0.661	82%	0.816	S	S	*	*			trans	-78.5	101.8	164.3	179.3	0	0	0	0	106.9	R900 H904	R900-V902 PolarHBondContact O-N 3Å; V902-H904 PolarHBondContact O-N 2.61Å
903	K	26.1	Very low	27.3	Very low	190 Å²	190	167.5 Å²	167.5	83%	0.826	81%	0.813	S	S	*	*			trans	-62.9	94.7	171.3	-81.6	179.2	174.1	175.5	0	109.2	Q901 K905	Q901-K903 PolarHBondContact O-N 3.14Å; K903-K905 PolarHBondContact O-N 2.96Å; K903-K905 VanDerWaalsContact O-N 3.16Å
904	H	28.7	Very low	27.4	Very low	163 Å²	163	168.9 Å²	168.9	76%	0.755	81%	0.809	S	S	*	*			trans	-71.5	104.1	163.2	-82.4	-76.2	0	0	0	108.9	V902 H906	V902-H904 PolarHBondContact O-N 2.61Å; H904-H906 PolarHBondContact O-N 3.13Å; H904-H906 VanDerWaalsContact O-N 3.16Å
905	K	27.8	Very low	27.4	Very low	202 Å²	202	170.4 Å²	170.4	88%	0.878	81%	0.809	S	S	*	*			trans	-63.8	106.9	164.9	-116.4	179.2	174.6	-176.8	0	107.1	K903 D907	K903-K905 PolarHBondContact O-N 2.96Å; K903-K905 VanDerWaalsContact O-N 3.16Å; K905-D907 PolarHBondContact O-N 3.31Å
906	H	28.3	Very low	27.4	Very low	176 Å²	176	167.1 Å²	167.1	82%	0.815	80%	0.802	S	S	*	*			trans	-69.7	104.2	168.4	-91.3	-46.3	0	0	0	109.1	H904 K908	H904-H906 PolarHBondContact O-N 3.13Å; H904-H906 VanDerWaalsContact O-N 3.16Å; H906-K908 VanDerWaalsContact C-N 3.31Å; H906-K908 PolarHBondContact O-N 2.81Å
907	D	28.2	Very low	27.3	Very low	164 Å²	164	170 Å²	170	88%	0.877	80%	0.803	S	S	*	*			trans	-69.6	92.6	160.5	-97.6	-29.4	0	0	0	108.8	K905 N909	K905-D907 PolarHBondContact O-N 3.31Å; D907-N909 PolarHBondContact O-N 3.38Å
908	K	28.8	Very low	27.2	Very low	183 Å²	183	169.5 Å²	169.5	80%	0.796	80%	0.8	S	S	*	*			trans	-70.9	98.5	160.5	-75.2	-179.9	174.5	-179.4	0	107.1	H906	H906-K908 VanDerWaalsContact C-N 3.31Å; H906-K908 PolarHBondContact O-N 2.81Å
909	N	27.2	Very low	27	Very low	161 Å²	161	168.1 Å²	168.1	86%	0.861	80%	0.797	S	S	*	*			trans	176.2	68	150.1	-88.2	-16.1	0	0	0	111.5	D907	D907-N909 PolarHBondContact O-N 3.38Å
910	R	25.9	Very low	26.8	Very low	234 Å²	234	164.9 Å²	164.9	88%	0.883	80%	0.798	S	S	*	*			trans	-166.6	64.7	154.7	-121.3	179.1	-177.9	-176.2	1.2	110.7
911	L	26.1	Very low	26.7	Very low	166 Å²	166	161.2 Å²	161.2	87%	0.869	79%	0.794	S	S	*	*			trans	-114.4	90.5	159.4	-84	159.1	0	0	0	105.6	H913	L911-H913 PolarHBondContact O-N 3.32Å
912	I	26.5	Very low	26.7	Very low	150 Å²	150	158.1 Å²	158.1	77%	0.769	79%	0.792	S	S	*	*			trans	-67.3	112.6	164	-65.1	173.6	0	0	0	104.5	E914	I912-E914 PolarHBondContact O-N 2.48Å
913	H	25.8	Very low	26.6	Very low	166 Å²	166	159.2 Å²	159.2	77%	0.769	80%	0.799	S	S	*	*			trans	-55.3	104.9	174.2	-84.8	-90.4	0	0	0	109.2	L911 D915	L911-H913 PolarHBondContact O-N 3.32Å; H913-D915 PolarHBondContact O-N 2.88Å
914	E	26.5	Very low	26.7	Very low	176 Å²	176	157.8 Å²	157.8	82%	0.822	80%	0.8	S	S	*	*			trans	-71.8	113.9	155	-83.5	-173.3	151.8	0	0	106.9	I912 N916	I912-E914 PolarHBondContact O-N 2.48Å; E914-N916 PolarHBondContact O-N 2.87Å
915	D	26.9	Very low	26.4	Very low	135 Å²	135	157.4 Å²	157.4	72%	0.722	80%	0.803	S	S	*	*			trans	-59.6	98.7	174.7	-78.5	-40.9	0	0	0	109.6	H913 H917	H913-D915 PolarHBondContact O-N 2.88Å; D915-H917 PolarHBondContact O-N 3.4Å
916	N	25.6	Very low	26.4	Very low	136 Å²	136	159.2 Å²	159.2	73%	0.727	80%	0.804	S	S	*	*			trans	-60.9	89	163.5	-83.8	-31.9	0	0	0	108.6	E914 H918	E914-N916 PolarHBondContact O-N 2.87Å; N916-H918 PolarHBondContact O-N 3.45Å
917	H	26.8	Very low	26.4	Very low	169 Å²	169	157.4 Å²	157.4	78%	0.782	80%	0.801	S	S	*	*			trans	-64.8	83.5	159.5	-81.6	-72	0	0	0	108.5	D915 V919	D915-H917 PolarHBondContact O-N 3.4Å; H917-V919 VanDerWaalsContact C-N 3.31Å; H917-V919 PolarHBondContact O-N 3.39Å
918	H	25.7	Very low	26.2	Very low	166 Å²	166	158.1 Å²	158.1	77%	0.769	80%	0.799	S	S	*	*			trans	-59.8	98.7	158.8	-81	-73.7	0	0	0	107.7	N916 A920	N916-H918 PolarHBondContact O-N 3.45Å; H918-A920 VanDerWaalsContact C-N 3.28Å; H918-A920 PolarHBondContact O-N 3.34Å
919	V	25.3	Very low	26.1	Very low	123 Å²	123	155.4 Å²	155.4	75%	0.745	80%	0.803	S	S	*	*			trans	-63.5	96.1	164	177	0	0	0	0	106.4	H917 L921	H917-V919 VanDerWaalsContact C-N 3.31Å; H917-V919 PolarHBondContact O-N 3.39Å; V919-L921 VanDerWaalsContact C-N 3.3Å; V919-L921 PolarHBondContact O-N 3.1Å
920	A	24.7	Very low	26	Very low	91 Å²	91	157.3 Å²	157.3	75%	0.752	80%	0.803	S	S	*	*			trans	-63.6	96	167.5	0	0	0	0	0	107.6	H918 S922	H918-A920 VanDerWaalsContact C-N 3.28Å; H918-A920 PolarHBondContact O-N 3.34Å; A920-S922 VanDerWaalsContact C-N 3.3Å; A920-S922 PolarHBondContact O-N 2.85Å
921	L	25.4	Very low	26	Very low	156 Å²	156	151.9 Å²	151.9	82%	0.817	80%	0.801	S	S	*	*			trans	-59.2	95.7	165.6	-86.1	151.1	0	0	0	107.7	V919 T923	V919-L921 VanDerWaalsContact C-N 3.3Å; V919-L921 PolarHBondContact O-N 3.1Å; L921-T923 VanDerWaalsContact C-N 3.35Å; L921-T923 PolarHBondContact O-N 3.37Å
922	S	25.7	Very low	25.9	Very low	105 Å²	105	148.8 Å²	148.8	73%	0.734	79%	0.793	S	S	*	*			trans	-63.6	98.5	167.3	58.9	0	0	0	0	107.9	A920 L924	A920-S922 VanDerWaalsContact C-N 3.3Å; A920-S922 PolarHBondContact O-N 2.85Å; S922-L924 PolarHBondContact O-N 3.22Å
923	T	26.5	Very low	25.9	Very low	132 Å²	132	149.2 Å²	149.2	81%	0.81	80%	0.797	S	S	*	*			trans	-59	102.9	168.6	27.5	0	0	0	0	108.8	L921 N925	L921-T923 VanDerWaalsContact C-N 3.35Å; L921-T923 PolarHBondContact O-N 3.37Å; T923-N925 PolarHBondContact O-N 3.32Å; T923-N925 VanDerWaalsContact O-N 3.14Å
924	L	27.2	Very low	25.9	Very low	160 Å²	160	152.9 Å²	152.9	84%	0.838	80%	0.804	S	S	*	*			trans	-63.4	109.6	166.6	-92.4	150.9	0	0	0	108.4	S922 R926	S922-L924 PolarHBondContact O-N 3.22Å; L924-R926 PolarHBondContact O-N 3.17Å
925	N	24.2	Very low	25.8	Very low	154 Å²	154	152.1 Å²	152.1	82%	0.824	81%	0.805	S	S	*	*			trans	-46	105.6	167.6	-83	-24.6	0	0	0	110.6	T923	T923-N925 PolarHBondContact O-N 3.32Å; T923-N925 VanDerWaalsContact O-N 3.14Å
926	R	27.8	Very low	25.8	Very low	240 Å²	240	153.5 Å²	153.5	91%	0.906	81%	0.811	S	S	*	*			trans	-113.6	101.2	157.2	-87.8	-172.4	176	-173.3	-1.1	107.7	L924	L924-R926 PolarHBondContact O-N 3.17Å
927	N	26.5	Very low	25.8	Very low	139 Å²	139	157.8 Å²	157.8	74%	0.743	82%	0.819	S	S	*	*			trans	-60	135.2	168.8	-80	-14.6	0	0	0	110.5
928	E	24.1	Very low	25.8	Very low	179 Å²	179	155 Å²	155	84%	0.836	81%	0.814	S	S	*	*			trans	67.7	105	144.4	-63.3	-177.5	163.3	0	0	120.1
929	S	28.5	Very low	25.7	Very low	125 Å²	125	156.2 Å²	156.2	87%	0.874	82%	0.82	S	S	*	*				-158.2	121.6	118.9	61.1	0	0	0	0	109.7
930	K	24.6	Very low	25.8	Very low	201 Å²	201	158.3 Å²	158.3	87%	0.874	82%	0.821	S	S	*	*			trans	-77.9	161.6	-173.8	-75.5	173.9	173.3	173.6	0	113.5
931	S	24.4	Very low	26	Very low	121 Å²	121	160 Å²	160	85%	0.846	82%	0.822	S	S	*	*			trans	82.1	130.5	168.5	81.8	0	0	0	0	115.2
932	S	25.2	Very low	26.1	Very low	100 Å²	100	160.5 Å²	160.5	70%	0.699	82%	0.822	S	S	*	*			cis	-156.4	145.8	10.3	43.3	0	0	0	0	109.5
933	D	25.8	Very low	26.2	Very low	159 Å²	159	164.9 Å²	164.9	85%	0.85	83%	0.828	S	S	*	*			trans	54.7	74.8	158.3	-56.5	-19.3	0	0	0	119.3
934	R	25.3	Very low	26.3	Very low	243 Å²	243	165.3 Å²	165.3	92%	0.917	83%	0.826	S	S	*	*			trans	-85.6	106.9	156.8	-88.4	-176.4	173.2	-179.5	-2.4	109.9	L936	R934-L936 PolarHBondContact O-N 2.77Å; R934-L936 VanDerWaalsContact O-N 3.17Å
935	L	25.3	Very low	26.4	Very low	161 Å²	161	165 Å²	165	84%	0.843	83%	0.825	S	S	*	*			trans	-53.2	113.4	162.7	-81.3	153.3	0	0	0	109.6	Y937	L935-Y937 PolarHBondContact O-N 2.97Å; L935-Y937 VanDerWaalsContact O-N 3.16Å
936	L	26.4	Very low	26.6	Very low	163 Å²	163	162.6 Å²	162.6	85%	0.853	82%	0.82	S	S	*	*			trans	-62.1	105.7	172.5	-80.5	143.4	0	0	0	109.5	R934 T938	R934-L936 PolarHBondContact O-N 2.77Å; R934-L936 VanDerWaalsContact O-N 3.17Å; L936-T938 PolarHBondContact O-N 3.35Å
937	Y	25.3	Very low	26.5	Very low	227 Å²	227	158.4 Å²	158.4	89%	0.89	81%	0.814	S	S	*	*			trans	-75.9	106.7	161.6	-85.5	-92.5	0	0	0	108	L935	L935-Y937 PolarHBondContact O-N 2.97Å; L935-Y937 VanDerWaalsContact O-N 3.16Å
938	T	26.9	Very low	26.4	Very low	109 Å²	109	156.3 Å²	156.3	67%	0.669	82%	0.816	S	S	*	*			trans	-77.5	123.7	171.2	38.9	0	0	0	0	109.9	L936 H940	L936-T938 PolarHBondContact O-N 3.35Å; T938-H940 PolarHBondContact O-N 2.71Å
939	E	24.9	Very low	26.4	Very low	192 Å²	192	154.9 Å²	154.9	90%	0.897	81%	0.813	S	S	*	*			trans	-61.5	94.4	170.4	-73.3	-178.6	148.4	0	0	110.2	T941	E939-T941 PolarHBondContact O-N 3.24Å
940	H	27.1	Very low	26.3	Very low	168 Å²	168	154.3 Å²	154.3	78%	0.778	81%	0.807	S	S	*	*			trans	-83.6	98.1	160.3	-88.7	-63.9	0	0	0	109	T938 M942	T938-H940 PolarHBondContact O-N 2.71Å; H940-M942 PolarHBondContact O-N 3.06Å
941	T	29.6	Very low	26.4	Very low	126 Å²	126	152.6 Å²	152.6	77%	0.773	81%	0.805	S	S	*	*			trans	-31.3	118	160.2	37.9	0	0	0	0	112.2	E939 K943	E939-T941 PolarHBondContact O-N 3.24Å; T941-K943 PolarHBondContact O-N 3.28Å; T941-K943 VanDerWaalsContact O-N 3.17Å
942	M	27.4	Very low	26.5	Very low	166 Å²	166	152.5 Å²	152.5	82%	0.818	80%	0.8	S	S	*	*			trans	-54.5	112.8	171.3	-73.2	-176.1	170.1	0	0	110.5	H940 N944	H940-M942 PolarHBondContact O-N 3.06Å; M942-N944 PolarHBondContact O-N 3.35Å
943	K	27.1	Very low	26.5	Very low	197 Å²	197	155 Å²	155	86%	0.857	81%	0.806	S	S	*	*			trans	-75.3	111	157.2	-88	-176.7	175.2	178.9	0	107.4	T941 N945	T941-K943 PolarHBondContact O-N 3.28Å; T941-K943 VanDerWaalsContact O-N 3.17Å; K943-N945 PolarHBondContact O-N 3.44Å
944	N	29.7	Very low	26.7	Very low	141 Å²	141	155.2 Å²	155.2	75%	0.754	81%	0.805	S	S	*	*			trans	-51.9	102	169.3	-74.5	-22.4	0	0	0	110.4	M942 S946	M942-N944 PolarHBondContact O-N 3.35Å; N944-S946 PolarHBondContact O-N 3.38Å; N944-S946 VanDerWaalsContact O-N 3.17Å
945	N	27.7	Very low	26.8	Very low	153 Å²	153	152 Å²	152	82%	0.818	80%	0.8	S	S	*	*			trans	-83.4	74.3	159.1	-81.6	-8.9	0	0	0	107.7	K943 I947	K943-N945 PolarHBondContact O-N 3.44Å; N945-I947 PolarHBondContact O-N 3.16Å
946	S	28.4	Very low	26.9	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	80%	0.795	S	S	*	*			trans	-68	107.7	165.9	42.1	0	0	0	0	108.5	N944 A948	N944-S946 PolarHBondContact O-N 3.38Å; N944-S946 VanDerWaalsContact O-N 3.17Å; S946-A948 PolarHBondContact O-N 3.34Å; S946-A948 VanDerWaalsContact O-N 3.16Å
947	I	25.7	Very low	27	Very low	152 Å²	152	151.1 Å²	151.1	78%	0.779	80%	0.797	S	S	*	*			trans	-67.3	106.7	168.4	-64.2	171.7	0	0	0	106.8	N945 L949	N945-I947 PolarHBondContact O-N 3.16Å; I947-L949 PolarHBondContact O-N 2.95Å
948	A	24.8	Very low	27.1	Very low	95 Å²	95	146.4 Å²	146.4	79%	0.785	79%	0.787	S	S	*	*			trans	-73.4	106.4	172.6	0	0	0	0	0	108.9	S946	S946-A948 PolarHBondContact O-N 3.34Å; S946-A948 VanDerWaalsContact O-N 3.16Å
949	L	25.2	Very low	27.1	Very low	149 Å²	149	148.1 Å²	148.1	78%	0.78	79%	0.792	S	S	*	*			trans	-76	125.9	166.9	-74.5	164.6	0	0	0	108.5	I947 I951	I947-L949 PolarHBondContact O-N 2.95Å; L949-I951 PolarHBondContact O-N 2.91Å
950	P	25.2	Very low	27.3	Very low	113 Å²	113	150.4 Å²	150.4	73%	0.734	79%	0.794	S	S	*	*			trans	-71.2	115.6	178.9	28.5	-31.6	0	0	0	109.3	T952	P950-T952 PolarHBondContact O-N 2.89Å; P950-T952 VanDerWaalsContact O-N 3.14Å
951	I	26.5	Very low	27.5	Very low	165 Å²	165	150.2 Å²	150.2	85%	0.846	80%	0.799	S	S	*	*			trans	-67.6	106.5	172.5	-60.8	169.9	0	0	0	106.9	L949	L949-I951 PolarHBondContact O-N 2.91Å
952	T	27.2	Very low	27.3	Very low	119 Å²	119	154.8 Å²	154.8	73%	0.73	80%	0.804	S	S	*	*			trans	-74.2	125.9	170.2	39.5	0	0	0	0	109.7	P950 I954	P950-T952 PolarHBondContact O-N 2.89Å; P950-T952 VanDerWaalsContact O-N 3.14Å; T952-I954 PolarHBondContact O-N 2.74Å
953	D	24.9	Very low	27.3	Very low	153 Å²	153	153.2 Å²	153.2	82%	0.818	80%	0.799	S	S	*	*			trans	-45	105.2	177.2	-77.9	-48	0	0	0	112.4	H955	D953-H955 PolarHBondContact O-N 3.04Å
954	I	30.2	Very low	27.6	Very low	164 Å²	164	148.6 Å²	148.6	84%	0.841	79%	0.789	S	S	*	*			trans	-82.3	102.4	166.1	-62.7	177.3	0	0	0	106.5	T952 N956	T952-I954 PolarHBondContact O-N 2.74Å; I954-N956 PolarHBondContact O-N 3.37Å
955	H	27.1	Very low	27.5	Very low	175 Å²	175	151.5 Å²	151.5	81%	0.81	79%	0.791	S	S	*	*			trans	-48.2	125.6	175.2	-91.2	-90.6	0	0	0	112.6	D953 N957	D953-H955 PolarHBondContact O-N 3.04Å; H955-N957 PolarHBondContact O-N 3.24Å
956	N	27.5	Very low	27.7	Very low	138 Å²	138	151.9 Å²	151.9	74%	0.738	79%	0.791	S	S	*	*			trans	-45.4	111.4	164.7	-87.8	-28.6	0	0	0	111.8	I954	I954-N956 PolarHBondContact O-N 3.37Å
957	N	28.6	Very low	27.7	Very low	167 Å²	167	153 Å²	153	89%	0.893	79%	0.793	S	S	*	*			trans	-110.6	91.6	153	-103.9	-14.8	0	0	0	108.2	H955 N959	H955-N957 PolarHBondContact O-N 3.24Å; N957-N959 PolarHBondContact O-N 2.94Å
958	N	27.3	Very low	27.8	Very low	129 Å²	129	153 Å²	153	69%	0.69	80%	0.795	S	S	*	*			trans	-61.5	121.5	166.2	-71.3	-31.4	0	0	0	109.2
959	N	27	Very low	28.1	Very low	145 Å²	145	158.7 Å²	158.7	78%	0.775	82%	0.82	S	S	*	*			trans	162	81.5	142.9	-86.6	-12	0	0	0	109.2	N957	N957-N959 PolarHBondContact O-N 2.94Å
960	Y	29.7	Very low	28.3	Very low	239 Å²	239	159.2 Å²	159.2	94%	0.937	82%	0.822	S	S	*	*			trans	-142.2	116.1	149.3	-88	-72.9	0	0	0	108.8
961	D	30	Very low	28.4	Very low	165 Å²	165	161.6 Å²	161.6	88%	0.882	83%	0.826	S	S	*	*			trans	-55.8	135.8	-177.7	-84.5	-49.4	0	0	0	112.7	N963	D961-N963 PolarHBondContact O-N 3.04Å
962	Y	25.3	Very low	28.5	Very low	221 Å²	221	161.4 Å²	161.4	87%	0.867	83%	0.825	S	S	*	*			trans	-27.3	117.3	167.1	-102.6	-110.4	0	0	0	115.1
963	N	27.8	Very low	28.6	Very low	134 Å²	134	163.9 Å²	163.9	72%	0.717	83%	0.831	S	S	*	*			trans	-112.7	111.1	156.6	-162.8	-11.8	0	0	0	108.6	D961 Y965	D961-N963 PolarHBondContact O-N 3.04Å; N963-Y965 VanDerWaalsContact C-N 3.34Å; N963-Y965 PolarHBondContact O-N 3.17Å
964	P	34.7	Very low	28.8	Very low	99 Å²	99	164.6 Å²	164.6	64%	0.643	83%	0.831	S	S	*	*			trans	-87.5	55.5	-160.5	36.2	-37.1	0	0	0	114
965	Y	26.5	Very low	28.7	Very low	203 Å²	203	164.6 Å²	164.6	80%	0.796	83%	0.831	S	S	*	*			trans	-126.6	43.4	172.4	-74.8	-77.8	0	0	0	112.9	N963	N963-Y965 VanDerWaalsContact C-N 3.34Å; N963-Y965 PolarHBondContact O-N 3.17Å
966	I	31.2	Very low	28.9	Very low	161 Å²	161	163.9 Å²	163.9	83%	0.826	83%	0.832	S	S	*	*			trans	-116.5	77.6	165.6	-53.6	179.8	0	0	0	107.2
967	T	28.8	Very low	29	Very low	126 Å²	126	165.8 Å²	165.8	77%	0.773	84%	0.84	S	S	*	*			trans	-89.7	113.4	159.9	41.8	0	0	0	0	108.3
968	D	29.2	Very low	29	Very low	152 Å²	152	165.8 Å²	165.8	81%	0.813	84%	0.835	S	S	*	*			trans	52.9	95	153	-61	-14	0	0	0	118.8
969	V	30.6	Very low	29.2	Very low	215 Å²	215	169.1 Å²	169.1	100%	1.303	85%	0.848	S	S	*	*				-99.4	0	129.1	-177.8	0	0	0	0	106.3

Retrieved 969 of 969 residues in 1079.8 ms (Link to these results)

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