G4VTQ5_SCHMA Loading...

Nuclear pore protein

AlphaFold DB , UniProt , Accession G4VTQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 935 aa.

						>G4VTQ5_SCHMA|G4VTQ5
MDLTLDDLVQDSEKLLMDVQEDNDLPHITRSLDQLRHLGEKLYLSRGSNSDVKAARLLGPKMSYELPQNLTAKLENLVPADVYDISPVVPKTDIQSFLRSERDNALLTAVLMTRKSMFKEVEERCDAYLQTWWEQEAAGVLSGLSGSNGPLDTELTSVPDLESYSHSESGSGMQTMQLTRDELLYANQLDYYLTMRLTSTDFTPIQNRVPRDLLTYMSRAQDSVSHEKQLKTQLKNSHSDIMEMWTFMRTISYHMRNEHGSMLLYNHPLEVRASISVQNTLSLCSLQHLESEFLEFLKITVANQPRLARLGGRPGTRSLVRAYLSLRLPSDNVADVSSLSNLYQLSEQNGWEFDDGLVDGVPVWPMIFYCLRTGDTQVTLEVARDALNNLGNFVTVLEDYVNHSRRLRTPNQARFRQTCKQVIKSTRDPYKRLTYSILGQCDLTENHSDIISNIDDFLWIKISQVIAQEPSESVVTSKISMDDTFTLGQLQTLLYETYGEVHFDAWSQPLVFFKILCLTQQYEAAIGFLARFEQLRCHAVHIALVLRDLHMLLLPNWLHSPLVVRNDYDPTGFRRLNLARLIMLYTRKFEFTDPEKALMYYYMLSDIPITTEKSPEEDSDETIPIALYNTSLEHSTAKSQNLFVQCVCELALANKELDLLLGCVGENDIRKPGAIDRFCRSVESRRELIRTVADVFESTGQVVEAIHLYLLASSCGDPKPDILVSVTLINTVLSSVIVTSDFGATPITQSRSGGQLDRSSLLRLATEIAHKVRRLGLSSDDSDYLVQNDVESSATGSTSAIKILFYLLDLASFFDLVDAERWQAAIDHIDQLGLFPINSQASNVEFCATLFSQLPDLVRRPLPWALYALMRCLSAKCGRATSVTSNGTRMDSTSKMATSEIRARAKALIAYVGRIPHRLPSEIYAGLTKMDMEII
					

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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	43.7	Very low	58.7	Low	223 Å²	223	108.8 Å²	108.8	100%	1.099	57%	0.569	S	S	*	*				0	105.4	0	-80	-159.2	-114.5	0	0	104.7	L3	M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 2.95Å
2	D	48.4	Very low	59.3	Low	157 Å²	157	102.5 Å²	102.5	84%	0.84	54%	0.541	S	S	*	.			trans	-76.3	83.3	-178.5	-61.1	-29.2	0	0	0	107.6	T4	D2-T4 PolarHBondContact O-N 3.22Å; D2-T4 VanDerWaalsContact O-N 3.09Å
3	L	48.8	Very low	59.8	Low	110 Å²	110	102.4 Å²	102.4	58%	0.576	54%	0.536	S	S	*	.			trans	-65	109.8	166.3	-90.6	112.9	0	0	0	106.7	M1 L8	M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 2.95Å; L3-L8 HydrophobicContact CD2-CD1 4.43Å
4	T	60.1	Low	60.6	Low	70 Å²	70	104.8 Å²	104.8	43%	0.429	54%	0.54	S	S	.	.			trans	-73.4	154.4	174.3	63	0	0	0	0	109.1	D2 D6 D7 L8	D2-T4 PolarHBondContact O-N 3.22Å; D2-T4 VanDerWaalsContact O-N 3.09Å; T4-D6 PolarHBondContact O-N 2.8Å; T4-D7 PolarHBondContact N-OD2 3.15Å; T4-D7 WeakPolarHBondContact O-CB 3.46Å; T4-D7 PolarHBondContact O-N 3.43Å; T4-D7 PolarHBondContact OG1-N 3.27Å; T4-D7 PolarHBondContact OG1-OD2 3.2Å; T4-L8 PolarHBondContact O-N 3.26Å; T4-L8 VanDerWaalsContact O-N 3.1Å
5	L	47.8	Very low	60.9	Low	120 Å²	120	105.3 Å²	105.3	63%	0.628	54%	0.543	S	S	*	.	H	α-helix	trans	-59	-30.3	175.7	-170.4	69.9	0	0	0	111.2	L8 V9	L5-L8 WeakPolarHBondContact O-CB 3.49Å; L5-L8 PolarHBondContact O-N 3.49Å; L5-V9 VanDerWaalsContact O-CG2 3.31Å; L5-V9 WeakPolarHBondContact O-CG2 3.41Å; L5-V9 PolarHBondContact O-N 3.21Å
6	D	63.3	Low	60.9	Low	126 Å²	126	101.1 Å²	101.1	67%	0.674	52%	0.521	S	S	*	.	H	α-helix	trans	-64.4	-40	173	-78.1	-18.7	0	0	0	112	T4 L8 V9 Q10	T4-D6 PolarHBondContact O-N 2.8Å; D6-L8 VanDerWaalsContact C-N 3.32Å; D6-L8 PolarHBondContact O-N 2.95Å; D6-V9 PolarHBondContact O-N 2.99Å; D6-Q10 WeakPolarHBondContact O-CB 3.04Å; D6-Q10 PolarHBondContact O-N 3.09Å
7	D	69.5	Low	61.2	Low	64 Å²	64	102.5 Å²	102.5	34%	0.342	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-41.2	173.1	-61.5	-47.4	0	0	0	110.8	T4 V9 Q10 D11	T4-D7 PolarHBondContact N-OD2 3.15Å; T4-D7 WeakPolarHBondContact O-CB 3.46Å; T4-D7 PolarHBondContact O-N 3.43Å; T4-D7 PolarHBondContact OG1-N 3.27Å; T4-D7 PolarHBondContact OG1-OD2 3.2Å; D7-V9 VanDerWaalsContact C-N 3.34Å; D7-V9 PolarHBondContact O-N 3.23Å; D7-Q10 PolarHBondContact O-N 3.33Å; D7-D11 WeakPolarHBondContact O-CB 3.37Å; D7-D11 PolarHBondContact O-N 3.08Å
8	L	62.4	Low	61.3	Low	90 Å²	90	102.6 Å²	102.6	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-65.5	-38.2	178.3	-148.5	91.8	0	0	0	112	L3 T4 L5 D6 S12	L3-L8 HydrophobicContact CD2-CD1 4.43Å; T4-L8 PolarHBondContact O-N 3.26Å; T4-L8 VanDerWaalsContact O-N 3.1Å; L5-L8 WeakPolarHBondContact O-CB 3.49Å; L5-L8 PolarHBondContact O-N 3.49Å; D6-L8 VanDerWaalsContact C-N 3.32Å; D6-L8 PolarHBondContact O-N 2.95Å; L8-S12 VanDerWaalsContact O-CB 3.3Å; L8-S12 WeakPolarHBondContact O-CB 3.15Å; L8-S12 PolarHBondContact O-N 3.41Å
9	V	63.1	Low	61.2	Low	26 Å²	26	99.5 Å²	99.5	16%	0.158	52%	0.515	C	S	.	.	H	α-helix	trans	-64.8	-46.2	173.8	170.7	0	0	0	0	109.6	L5 D6 D7 D11 S12 E13 L32	L5-V9 VanDerWaalsContact O-CG2 3.31Å; L5-V9 WeakPolarHBondContact O-CG2 3.41Å; L5-V9 PolarHBondContact O-N 3.21Å; D6-V9 PolarHBondContact O-N 2.99Å; D7-V9 VanDerWaalsContact C-N 3.34Å; D7-V9 PolarHBondContact O-N 3.23Å; V9-D11 PolarHBondContact O-N 3.15Å; V9-S12 PolarHBondContact O-N 3.5Å; V9-S12 VanDerWaalsContact O-N 3.16Å; V9-S12 PolarHBondContact O-OG 3.17Å; V9-E13 WeakPolarHBondContact O-CG 3.4Å; V9-E13 PolarHBondContact O-N 3.48Å; V9-L32 HydrophobicContact CG2-CB 4.43Å; V9-L32 HydrophobicContact CG2-CD2 3.83Å
10	Q	69.5	Low	60.9	Low	127 Å²	127	100.1 Å²	100.1	59%	0.593	52%	0.515	S	S	*	.	H	α-helix	trans	-63.7	-41.7	179.6	-161.4	171.7	29.9	0	0	112.1	D6 D7 E13 K14	D6-Q10 WeakPolarHBondContact O-CB 3.04Å; D6-Q10 PolarHBondContact O-N 3.09Å; D7-Q10 PolarHBondContact O-N 3.33Å; Q10-E13 PolarHBondContact O-N 3.4Å; Q10-K14 WeakPolarHBondContact O-CB 3.3Å; Q10-K14 PolarHBondContact O-N 2.87Å
11	D	69.4	Low	60.8	Low	84 Å²	84	103.1 Å²	103.1	45%	0.449	53%	0.527	S	S	.	.	H	α-helix	trans	-64.9	-39.1	173.4	-83.8	-12.3	0	0	0	111.3	D7 V9 K14 L15	D7-D11 WeakPolarHBondContact O-CB 3.37Å; D7-D11 PolarHBondContact O-N 3.08Å; V9-D11 PolarHBondContact O-N 3.15Å; D11-K14 PolarHBondContact O-N 3.17Å; D11-L15 WeakPolarHBondContact O-CB 3.32Å; D11-L15 PolarHBondContact O-N 2.76Å
12	S	65.6	Low	61.2	Low	33 Å²	33	98.3 Å²	98.3	23%	0.231	51%	0.505	C	S	.	.	H	α-helix	trans	-65.7	-38	176	80.4	0	0	0	0	112.7	L8 V9 L15 L16	L8-S12 VanDerWaalsContact O-CB 3.3Å; L8-S12 WeakPolarHBondContact O-CB 3.15Å; L8-S12 PolarHBondContact O-N 3.41Å; V9-S12 PolarHBondContact O-N 3.5Å; V9-S12 VanDerWaalsContact O-N 3.16Å; V9-S12 PolarHBondContact O-OG 3.17Å; S12-L15 PolarHBondContact O-N 2.86Å; S12-L16 WeakPolarHBondContact O-CB 3.33Å; S12-L16 PolarHBondContact O-N 3.08Å
13	E	66.3	Low	61.5	Low	101 Å²	101	97.9 Å²	97.9	47%	0.472	50%	0.503	S	S	.	.	H	α-helix	trans	-67.6	-38.6	174.7	-74.1	-173.3	165.1	0	0	111.2	V9 Q10 L16 M17	V9-E13 WeakPolarHBondContact O-CG 3.4Å; V9-E13 PolarHBondContact O-N 3.48Å; Q10-E13 PolarHBondContact O-N 3.4Å; E13-L16 WeakPolarHBondContact O-CB 3.27Å; E13-L16 PolarHBondContact O-N 3.37Å; E13-M17 WeakPolarHBondContact O-CG 3.4Å; E13-M17 PolarHBondContact O-N 3.25Å
14	K	70.1	Confident	61.9	Low	136 Å²	136	100.6 Å²	100.6	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-66	-43	175.8	-155.6	178.8	-175.1	-176	0	111.7	Q10 D11 L16 M17 D18	Q10-K14 WeakPolarHBondContact O-CB 3.3Å; Q10-K14 PolarHBondContact O-N 2.87Å; D11-K14 PolarHBondContact O-N 3.17Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 3.2Å; K14-M17 WeakPolarHBondContact O-CB 3.49Å; K14-M17 PolarHBondContact O-N 3.24Å; K14-D18 PolarHBondContact O-N 3.05Å
15	L	65.6	Low	61.3	Low	112 Å²	112	102.5 Å²	102.5	59%	0.586	53%	0.525	S	S	*	.	H	α-helix	trans	-62.5	-39	172.3	-118.2	151.5	0	0	0	111.6	D11 S12 M17 D18 V19	D11-L15 WeakPolarHBondContact O-CB 3.32Å; D11-L15 PolarHBondContact O-N 2.76Å; S12-L15 PolarHBondContact O-N 2.86Å; L15-M17 VanDerWaalsContact C-N 3.31Å; L15-M17 PolarHBondContact O-N 3.16Å; L15-D18 PolarHBondContact O-N 3.29Å; L15-V19 HydrophobicContact CD2-CG2 3.93Å; L15-V19 VanDerWaalsContact O-CB 3.28Å; L15-V19 WeakPolarHBondContact O-CB 3.38Å; L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 2.86Å
16	L	61.6	Low	61.6	Low	39 Å²	39	102 Å²	102	20%	0.204	53%	0.529	C	S	.	.	H	α-helix	trans	-63.1	-36.8	173.6	-107.4	156.8	0	0	0	112.3	S12 E13 K14 Q20 I28	S12-L16 WeakPolarHBondContact O-CB 3.33Å; S12-L16 PolarHBondContact O-N 3.08Å; E13-L16 WeakPolarHBondContact O-CB 3.27Å; E13-L16 PolarHBondContact O-N 3.37Å; K14-L16 VanDerWaalsContact C-N 3.32Å; K14-L16 PolarHBondContact O-N 3.2Å; L16-Q20 VanDerWaalsContact O-CG 3.28Å; L16-Q20 WeakPolarHBondContact O-CG 3.3Å; L16-Q20 PolarHBondContact O-N 2.62Å; L16-I28 HydrophobicContact CD2-CB 4.24Å
17	M	65	Low	61.2	Low	125 Å²	125	103.2 Å²	103.2	62%	0.616	53%	0.53	S	S	*	.	H	α-helix	trans	-69.5	-43.5	174.6	-68.3	-115.3	74.6	0	0	111.7	E13 K14 L15 Q20	E13-M17 WeakPolarHBondContact O-CG 3.4Å; E13-M17 PolarHBondContact O-N 3.25Å; K14-M17 WeakPolarHBondContact O-CB 3.49Å; K14-M17 PolarHBondContact O-N 3.24Å; L15-M17 VanDerWaalsContact C-N 3.31Å; L15-M17 PolarHBondContact O-N 3.16Å; M17-Q20 PolarHBondContact O-N 2.93Å
18	D	63.7	Low	60.4	Low	104 Å²	104	105.4 Å²	105.4	56%	0.556	54%	0.541	S	S	*	.	H	α-helix	trans	-67.5	-42.1	178.6	-77.3	-6.4	0	0	0	111.6	K14 L15 Q20 E21	K14-D18 PolarHBondContact O-N 3.05Å; L15-D18 PolarHBondContact O-N 3.29Å; D18-Q20 PolarHBondContact O-N 2.74Å; D18-E21 PolarHBondContact O-N 3.03Å; D18-E21 VanDerWaalsContact O-N 3.15Å
19	V	59.8	Low	60.1	Low	43 Å²	43	106.6 Å²	106.6	26%	0.261	55%	0.552	S	S	.	*	H	α-helix	trans	-69.9	-21.6	179.2	174	0	0	0	0	112.1	L15 E21 D22 L25	L15-V19 HydrophobicContact CD2-CG2 3.93Å; L15-V19 VanDerWaalsContact O-CB 3.28Å; L15-V19 WeakPolarHBondContact O-CB 3.38Å; L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 2.86Å; V19-E21 PolarHBondContact O-N 2.72Å; V19-D22 PolarHBondContact O-N 3.19Å; V19-L25 HydrophobicContact CG1-CB 3.91Å; V19-L25 HydrophobicContact CG1-CD1 4.04Å
20	Q	54.4	Low	59.8	Low	112 Å²	112	111.9 Å²	111.9	52%	0.523	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.5	-19	172.7	-83.9	177.9	14.5	0	0	113.6	L16 M17 D18	L16-Q20 VanDerWaalsContact O-CG 3.28Å; L16-Q20 WeakPolarHBondContact O-CG 3.3Å; L16-Q20 PolarHBondContact O-N 2.62Å; M17-Q20 PolarHBondContact O-N 2.93Å; D18-Q20 PolarHBondContact O-N 2.74Å
21	E	59.2	Low	59.7	Low	164 Å²	164	107.1 Å²	107.1	77%	0.766	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-26.4	173.7	-73.1	-165.3	153.4	0	0	112.8	D18 V19	D18-E21 PolarHBondContact O-N 3.03Å; D18-E21 VanDerWaalsContact O-N 3.15Å; V19-E21 PolarHBondContact O-N 2.72Å
22	D	52.9	Low	59.2	Low	121 Å²	121	106.8 Å²	106.8	65%	0.647	55%	0.548	S	S	*	.	S	Bend	trans	-101.8	104.1	-178.2	-80.4	-28.2	0	0	0	112.5	V19 D24	V19-D22 PolarHBondContact O-N 3.19Å; D22-D24 PolarHBondContact O-N 3.09Å
23	N	54.4	Low	59.1	Low	149 Å²	149	108.1 Å²	108.1	80%	0.797	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	7.2	-169	-76.7	-58.5	0	0	0	117.5
24	D	55.9	Low	59.1	Low	167 Å²	167	108.2 Å²	108.2	89%	0.893	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	0.9	-173.1	-77.2	-24	0	0	0	115.1	D22	D22-D24 PolarHBondContact O-N 3.09Å
25	L	47.2	Very low	58.6	Low	109 Å²	109	106.5 Å²	106.5	57%	0.571	55%	0.549	S	S	*	.	S	Bend	trans	-104.3	140.7	176.6	-77.8	152	0	0	0	111.9	V19 H27	V19-L25 HydrophobicContact CG1-CB 3.91Å; V19-L25 HydrophobicContact CG1-CD1 4.04Å; L25-H27 PolarHBondContact O-N 3.15Å
26	P	54.7	Low	58.4	Low	109 Å²	109	107 Å²	107	71%	0.708	54%	0.544	S	S	*	.			trans	-60.2	128	176.6	23.7	-31.5	0	0	0	110.3	I28	P26-I28 PolarHBondContact O-N 3.46Å; P26-I28 VanDerWaalsContact O-N 3.09Å
27	H	54.3	Low	58.5	Low	152 Å²	152	109.9 Å²	109.9	70%	0.704	56%	0.556	S	S	*	*			trans	-53.7	118.1	175.8	-70.6	-52.5	0	0	0	110.6	L25 T29	L25-H27 PolarHBondContact O-N 3.15Å; H27-T29 PolarHBondContact O-N 3.44Å
28	I	53.9	Low	58.3	Low	111 Å²	111	107.6 Å²	107.6	57%	0.569	55%	0.546	S	S	*	.			trans	-63.7	101.7	168.9	-64.9	169.7	0	0	0	106.8	L16 P26 R30	L16-I28 HydrophobicContact CD2-CB 4.24Å; P26-I28 PolarHBondContact O-N 3.46Å; P26-I28 VanDerWaalsContact O-N 3.09Å; I28-R30 VanDerWaalsContact CG2-O 3.31Å; I28-R30 WeakPolarHBondContact CG2-O 3.21Å; I28-R30 PolarHBondContact O-N 3.17Å
29	T	54.6	Low	58.1	Low	114 Å²	114	104.1 Å²	104.1	70%	0.699	53%	0.534	S	S	*	.			trans	-70.2	-12.2	-172.9	49	0	0	0	0	114.1	H27	H27-T29 PolarHBondContact O-N 3.44Å
30	R	58.4	Low	57.9	Low	138 Å²	138	106.4 Å²	106.4	52%	0.521	54%	0.542	S	S	.	.	S	Bend	trans	-140.4	125.6	-174.6	-61.6	-176.1	177.3	104.5	0	111.1	I28	I28-R30 VanDerWaalsContact CG2-O 3.31Å; I28-R30 WeakPolarHBondContact CG2-O 3.21Å; I28-R30 PolarHBondContact O-N 3.17Å
31	S	66.1	Low	58.1	Low	27 Å²	27	108.1 Å²	108.1	19%	0.189	55%	0.548	C	S	.	.			trans	-69.8	159.7	170.1	66.7	0	0	0	0	111.1	D33 Q34 L35	S31-D33 PolarHBondContact O-N 3.33Å; S31-Q34 WeakPolarHBondContact O-CB 3.27Å; S31-Q34 PolarHBondContact O-N 2.66Å; S31-Q34 VanDerWaalsContact O-N 3.09Å; S31-Q34 WeakPolarHBondContact OG-CG 3.49Å; S31-Q34 PolarHBondContact OG-N 2.88Å; S31-L35 PolarHBondContact O-N 2.82Å
32	L	59.9	Low	57.8	Low	77 Å²	77	105.7 Å²	105.7	40%	0.403	54%	0.54	S	S	.	.	H	α-helix	trans	-55.3	-35.8	176.9	-146.5	86.7	0	0	0	111.5	V9 L35 R36	V9-L32 HydrophobicContact CG2-CB 4.43Å; V9-L32 HydrophobicContact CG2-CD2 3.83Å; L32-L35 WeakPolarHBondContact O-CB 3.24Å; L32-L35 PolarHBondContact O-N 2.97Å; L32-R36 PolarHBondContact O-N 2.87Å
33	D	62.7	Low	57.6	Low	60 Å²	60	107.4 Å²	107.4	32%	0.321	54%	0.538	S	S	.	.	H	α-helix	trans	-73.6	-34.3	180	-145.4	16.2	0	0	0	112.4	S31 R36 H37	S31-D33 PolarHBondContact O-N 3.33Å; D33-R36 PolarHBondContact O-N 2.81Å; D33-R36 IonicContact OD1-CZ 3.97Å; D33-R36 IonicContact OD1-NE 3.9Å; D33-R36 PolarHBondContact OD1-NE 3.26Å; D33-R36 IonicContact OD1-NH2 2.76Å; D33-R36 PolarHBondContact OD1-NH2 3.18Å; D33-H37 PolarHBondContact O-N 2.76Å
34	Q	66.6	Low	57.6	Low	103 Å²	103	106.8 Å²	106.8	48%	0.481	53%	0.534	S	S	.	.	H	α-helix	trans	-66.8	-38.2	170.3	-72.4	176.6	4.5	0	0	111.9	S31 H37 L38	S31-Q34 WeakPolarHBondContact O-CB 3.27Å; S31-Q34 PolarHBondContact O-N 2.66Å; S31-Q34 VanDerWaalsContact O-N 3.09Å; S31-Q34 WeakPolarHBondContact OG-CG 3.49Å; S31-Q34 PolarHBondContact OG-N 2.88Å; Q34-H37 PolarHBondContact O-N 3.09Å; Q34-L38 WeakPolarHBondContact O-CB 3.01Å; Q34-L38 WeakPolarHBondContact O-CG 3.24Å; Q34-L38 PolarHBondContact O-N 3.16Å
35	L	60.4	Low	57.4	Low	100 Å²	100	102.7 Å²	102.7	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-42.8	172.7	-99.5	154.1	0	0	0	111.3	S31 L32 L38 G39	S31-L35 PolarHBondContact O-N 2.82Å; L32-L35 WeakPolarHBondContact O-CB 3.24Å; L32-L35 PolarHBondContact O-N 2.97Å; L35-L38 PolarHBondContact O-N 3.36Å; L35-G39 PolarHBondContact O-N 2.8Å
36	R	60.7	Low	57.2	Low	123 Å²	123	105.7 Å²	105.7	46%	0.464	52%	0.523	S	S	.	.	H	α-helix	trans	-60.2	-51.1	174	-175.3	179.5	69.7	114.3	-8.2	111.8	L32 D33 L38 G39 E40	L32-R36 PolarHBondContact O-N 2.87Å; D33-R36 PolarHBondContact O-N 2.81Å; D33-R36 IonicContact OD1-CZ 3.97Å; D33-R36 IonicContact OD1-NE 3.9Å; D33-R36 PolarHBondContact OD1-NE 3.26Å; D33-R36 IonicContact OD1-NH2 2.76Å; D33-R36 PolarHBondContact OD1-NH2 3.18Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 2.7Å; R36-G39 WeakPolarHBondContact O-CA 2.88Å; R36-G39 PolarHBondContact O-N 2.7Å; R36-G39 VanDerWaalsContact O-N 3.12Å; R36-E40 IonicContact NH1-OE1 3.28Å; R36-E40 PolarHBondContact O-N 3.21Å
37	H	63.6	Low	56.6	Low	99 Å²	99	102.2 Å²	102.2	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-33.8	179.2	-83.9	-30.9	0	0	0	113.5	D33 Q34 E40 K41	D33-H37 PolarHBondContact O-N 2.76Å; Q34-H37 PolarHBondContact O-N 3.09Å; H37-E40 IonicContact CE1-OE2 3.25Å; H37-E40 IonicContact ND1-OE2 2.77Å; H37-E40 PolarHBondContact ND1-OE2 2.83Å; H37-E40 VanDerWaalsContact ND1-OE2 3.15Å; H37-K41 WeakPolarHBondContact O-CB 3.36Å; H37-K41 PolarHBondContact O-N 3.48Å
38	L	60.3	Low	56.3	Low	77 Å²	77	99.8 Å²	99.8	40%	0.403	51%	0.506	S	S	.	.	H	α-helix	trans	-69.1	-38.2	171.8	-76.7	172.3	0	0	0	111.6	Q34 L35 R36 K41 L42	Q34-L38 WeakPolarHBondContact O-CB 3.01Å; Q34-L38 WeakPolarHBondContact O-CG 3.24Å; Q34-L38 PolarHBondContact O-N 3.16Å; L35-L38 PolarHBondContact O-N 3.36Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 2.7Å; L38-K41 PolarHBondContact O-N 3.25Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.16Å
39	G	59.7	Low	56	Low	31 Å²	31	101.5 Å²	101.5	32%	0.32	52%	0.517	S	S	.	.	H	α-helix	trans	-59	-47.3	171.7	0	0	0	0	0	112.1	L35 R36 L42 Y43	L35-G39 PolarHBondContact O-N 2.8Å; R36-G39 WeakPolarHBondContact O-CA 2.88Å; R36-G39 PolarHBondContact O-N 2.7Å; R36-G39 VanDerWaalsContact O-N 3.12Å; G39-L42 PolarHBondContact O-N 3.36Å; G39-Y43 WeakPolarHBondContact O-CB 3.25Å; G39-Y43 PolarHBondContact O-N 3.12Å
40	E	56.6	Low	55.5	Low	92 Å²	92	98.8 Å²	98.8	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-39.9	174.7	-74.3	177.1	162	0	0	112.3	R36 H37 Y43 L44	R36-E40 IonicContact NH1-OE1 3.28Å; R36-E40 PolarHBondContact O-N 3.21Å; H37-E40 IonicContact CE1-OE2 3.25Å; H37-E40 IonicContact ND1-OE2 2.77Å; H37-E40 PolarHBondContact ND1-OE2 2.83Å; H37-E40 VanDerWaalsContact ND1-OE2 3.15Å; E40-Y43 WeakPolarHBondContact O-CB 3.45Å; E40-Y43 PolarHBondContact O-N 3.36Å; E40-L44 WeakPolarHBondContact O-CG 3.49Å; E40-L44 PolarHBondContact O-N 3.29Å
41	K	58.6	Low	54.8	Low	147 Å²	147	94.9 Å²	94.9	64%	0.639	49%	0.492	S	S	*	.	H	α-helix	trans	-66.4	-41.1	175.3	-97.2	-177.2	173.7	175.2	0	112.8	H37 L38 Y43 L44 S45	H37-K41 WeakPolarHBondContact O-CB 3.36Å; H37-K41 PolarHBondContact O-N 3.48Å; L38-K41 PolarHBondContact O-N 3.25Å; K41-Y43 VanDerWaalsContact C-N 3.26Å; K41-Y43 PolarHBondContact O-N 3.18Å; K41-L44 PolarHBondContact O-N 2.9Å; K41-S45 WeakPolarHBondContact O-CB 3.32Å; K41-S45 PolarHBondContact O-N 3.44Å; K41-S45 PolarHBondContact O-OG 3.42Å
42	L	52.4	Low	53.9	Low	114 Å²	114	97.1 Å²	97.1	60%	0.597	50%	0.504	S	S	*	.	H	α-helix	trans	-62.9	-35.9	175	-82.7	165.3	0	0	0	111.1	L38 G39 S45	L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.16Å; G39-L42 PolarHBondContact O-N 3.36Å; L42-S45 PolarHBondContact O-OG 2.69Å
43	Y	48.1	Very low	53.1	Low	156 Å²	156	98.8 Å²	98.8	61%	0.612	51%	0.508	S	S	*	.	H	α-helix	trans	-64.1	-42.6	171.4	175.4	-100.8	0	0	0	112.3	G39 E40 K41	G39-Y43 WeakPolarHBondContact O-CB 3.25Å; G39-Y43 PolarHBondContact O-N 3.12Å; E40-Y43 WeakPolarHBondContact O-CB 3.45Å; E40-Y43 PolarHBondContact O-N 3.36Å; K41-Y43 VanDerWaalsContact C-N 3.26Å; K41-Y43 PolarHBondContact O-N 3.18Å
44	L	55.3	Low	52.3	Low	137 Å²	137	97.9 Å²	97.9	72%	0.717	51%	0.509	S	S	*	.	H	α-helix	trans	-74.8	-29.7	179.2	-70.3	169.8	0	0	0	113.6	E40 K41 R46	E40-L44 WeakPolarHBondContact O-CG 3.49Å; E40-L44 PolarHBondContact O-N 3.29Å; K41-L44 PolarHBondContact O-N 2.9Å; L44-R46 PolarHBondContact O-N 3.29Å
45	S	52.3	Low	51.3	Low	81 Å²	81	95.9 Å²	95.9	57%	0.566	51%	0.51	S	S	*	.	S	Bend	trans	-79.1	32	-176.9	76.1	0	0	0	0	113.9	K41 L42 G47	K41-S45 WeakPolarHBondContact O-CB 3.32Å; K41-S45 PolarHBondContact O-N 3.44Å; K41-S45 PolarHBondContact O-OG 3.42Å; L42-S45 PolarHBondContact O-OG 2.69Å; S45-G47 PolarHBondContact O-N 2.9Å
46	R	42.7	Very low	50.6	Low	172 Å²	172	96.5 Å²	96.5	65%	0.649	51%	0.506	S	S	*	.			trans	-58.8	103.8	-166.9	-156.8	170.4	162.6	-170	-10.3	112.6	L44 D51	L44-R46 PolarHBondContact O-N 3.29Å; R46-D51 WeakPolarHBondContact CG-OD1 3.49Å; R46-D51 IonicContact CZ-OD1 3.66Å; R46-D51 IonicContact NE-OD1 2.67Å; R46-D51 PolarHBondContact NE-OD1 3.29Å
47	G	41	Very low	50	Low	36 Å²	36	95.9 Å²	95.9	37%	0.371	51%	0.511	S	S	.	.			trans	-107	148.7	165.6	0	0	0	0	0	110.6	S45 N49 S50	S45-G47 PolarHBondContact O-N 2.9Å; G47-N49 PolarHBondContact O-N 3.36Å; G47-S50 PolarHBondContact O-N 3.48Å; G47-S50 PolarHBondContact O-OG 3.41Å
48	S	49.3	Very low	49.1	Very low	100 Å²	100	94.5 Å²	94.5	70%	0.699	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.6	-170.8	62.8	0	0	0	0	116
49	N	46.5	Very low	48.5	Very low	147 Å²	147	93.3 Å²	93.3	79%	0.786	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-21.6	-179.2	-70.9	-8.2	0	0	0	113.7	G47	G47-N49 PolarHBondContact O-N 3.36Å
50	S	43.5	Very low	47.9	Very low	57 Å²	57	96.8 Å²	96.8	40%	0.399	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.2	176.4	54.4	0	0	0	0	112.9	G47 V52 K53 A54	G47-S50 PolarHBondContact O-N 3.48Å; G47-S50 PolarHBondContact O-OG 3.41Å; S50-V52 VanDerWaalsContact C-N 3.27Å; S50-V52 PolarHBondContact O-N 2.83Å; S50-K53 PolarHBondContact O-N 2.93Å; S50-A54 PolarHBondContact O-N 2.93Å
51	D	44	Very low	47.2	Very low	57 Å²	57	100.7 Å²	100.7	31%	0.305	55%	0.546	S	S	.	.	H	α-helix	trans	-53.3	-39.3	-177.2	-84.4	-36.4	0	0	0	112.6	R46 A55	R46-D51 WeakPolarHBondContact CG-OD1 3.49Å; R46-D51 IonicContact CZ-OD1 3.66Å; R46-D51 IonicContact NE-OD1 2.67Å; R46-D51 PolarHBondContact NE-OD1 3.29Å; D51-A55 WeakPolarHBondContact O-CB 2.93Å; D51-A55 PolarHBondContact O-N 3.32Å
52	V	47.4	Very low	46.1	Very low	73 Å²	73	101 Å²	101	44%	0.442	55%	0.551	S	S	.	*	H	α-helix	trans	-77.5	-36.9	-175.4	-174	0	0	0	0	112.5	S50 R56 T153	S50-V52 VanDerWaalsContact C-N 3.27Å; S50-V52 PolarHBondContact O-N 2.83Å; V52-R56 WeakPolarHBondContact O-CB 3.46Å; V52-R56 PolarHBondContact O-N 3.37Å; V52-T153 HydrophobicContact CG1-CG2 3.87Å
53	K	42.9	Very low	45.6	Very low	112 Å²	112	100 Å²	100	49%	0.487	55%	0.553	S	S	.	*	H	α-helix	trans	-72.7	-45.9	-173.8	-67.4	-170	178.2	-168.1	0	111.9	S50 L57 S147	S50-K53 PolarHBondContact O-N 2.93Å; K53-L57 PolarHBondContact O-N 3.35Å; K53-S147 PolarHBondContact NZ-O 2.89Å; K53-S147 PolarHBondContact NZ-OG 3.29Å; K53-S147 VanDerWaalsContact NZ-OG 3.15Å
54	A	45.5	Very low	45.1	Very low	41 Å²	41	101.6 Å²	101.6	34%	0.339	56%	0.56	S	S	.	*	H	α-helix	trans	-75.4	-39.8	179	0	0	0	0	0	112.1	S50 R56 L57 L58	S50-A54 PolarHBondContact O-N 2.93Å; A54-R56 PolarHBondContact O-N 3.3Å; A54-L57 PolarHBondContact O-N 3.05Å; A54-L58 WeakPolarHBondContact O-CB 3.24Å; A54-L58 PolarHBondContact O-N 3.49Å; A54-L58 VanDerWaalsContact O-N 3.09Å
55	A	46.6	Very low	44.4	Very low	62 Å²	62	101.9 Å²	101.9	51%	0.512	56%	0.557	S	S	.	*	H	α-helix	trans	-66.3	-26	178.8	0	0	0	0	0	112.8	D51 G59	D51-A55 WeakPolarHBondContact O-CB 2.93Å; D51-A55 PolarHBondContact O-N 3.32Å; A55-G59 WeakPolarHBondContact O-CA 3.12Å; A55-G59 PolarHBondContact O-N 2.62Å
56	R	46.3	Very low	43.6	Very low	112 Å²	112	102 Å²	102	42%	0.423	55%	0.551	S	S	.	*	H	α-helix	trans	-81.8	-35.3	176.7	-139.3	179.8	-84.7	-169	-3.9	113.1	V52 A54 L58 P60 T153 T156	V52-R56 WeakPolarHBondContact O-CB 3.46Å; V52-R56 PolarHBondContact O-N 3.37Å; A54-R56 PolarHBondContact O-N 3.3Å; R56-L58 VanDerWaalsContact C-N 3.31Å; R56-L58 PolarHBondContact O-N 3.34Å; R56-P60 WeakPolarHBondContact O-CD 3.4Å; R56-T153 PolarHBondContact NH1-O 3.12Å; R56-T156 PolarHBondContact NH1-OG1 2.91Å
57	L	46.6	Very low	43.7	Very low	111 Å²	111	96.4 Å²	96.4	58%	0.581	54%	0.537	S	S	*	.	H	α-helix	trans	-64.6	-37.8	172.5	-162.6	88.1	0	0	0	111.7	K53 A54 V140 L144	K53-L57 PolarHBondContact O-N 3.35Å; A54-L57 PolarHBondContact O-N 3.05Å; L57-V140 HydrophobicContact CD1-CG1 4.22Å; L57-L144 HydrophobicContact CD1-CD1 4.48Å
58	L	45.8	Very low	44.2	Very low	69 Å²	69	102 Å²	102	36%	0.361	55%	0.554	S	S	.	*	H	α-helix	trans	-98	-16.3	-175.7	-70.4	163.6	0	0	0	114	A54 R56 K61 M62	A54-L58 WeakPolarHBondContact O-CB 3.24Å; A54-L58 PolarHBondContact O-N 3.49Å; A54-L58 VanDerWaalsContact O-N 3.09Å; R56-L58 VanDerWaalsContact C-N 3.31Å; R56-L58 PolarHBondContact O-N 3.34Å; L58-K61 PolarHBondContact O-N 2.69Å; L58-M62 PolarHBondContact O-N 2.7Å
59	G	48.3	Very low	44.1	Very low	52 Å²	52	103.2 Å²	103.2	54%	0.536	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.8	-42.3	-176.3	0	0	0	0	0	114.2	A55	A55-G59 WeakPolarHBondContact O-CA 3.12Å; A55-G59 PolarHBondContact O-N 2.62Å
60	P	46.1	Very low	44	Very low	104 Å²	104	100.1 Å²	100.1	68%	0.675	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-22	176	-4.7	17.9	0	0	0	113.9	R56	R56-P60 WeakPolarHBondContact O-CD 3.4Å
61	K	42.7	Very low	44.5	Very low	175 Å²	175	100.3 Å²	100.3	76%	0.761	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-11.4	-170.4	-78.4	-140.6	174.4	-176.5	0	117.2	L58	L58-K61 PolarHBondContact O-N 2.69Å
62	M	35.3	Very low	45.1	Very low	152 Å²	152	99.3 Å²	99.3	75%	0.749	53%	0.534	S	S	*	.	S	Bend	trans	-141.3	91.8	169.2	-81.9	168.1	84.8	0	0	107.1	L58	L58-M62 PolarHBondContact O-N 2.7Å
63	S	40.8	Very low	45.2	Very low	93 Å²	93	102.9 Å²	102.9	65%	0.65	54%	0.544	S	S	*	.			cis	-166	98.8	41.8	42.9	0	0	0	0	107	E65	S63-E65 PolarHBondContact O-N 3.43Å
64	Y	39.2	Very low	45.5	Very low	191 Å²	191	102.1 Å²	102.1	75%	0.749	55%	0.545	S	S	*	.			trans	-71.7	83.8	147.5	-156.4	-91.4	0	0	0	103.9	L66	Y64-L66 PolarHBondContact O-N 3.01Å
65	E	39.3	Very low	46	Very low	142 Å²	142	107.8 Å²	107.8	66%	0.664	56%	0.564	S	S	*	*			trans	-51.5	107.1	156.4	-73.5	-167.3	167.7	0	0	103.3	S63 P67	S63-E65 PolarHBondContact O-N 3.43Å; E65-P67 VanDerWaalsContact O-CD 3.27Å; E65-P67 WeakPolarHBondContact O-CD 3.34Å
66	L	35.3	Very low	46.6	Very low	84 Å²	84	110.8 Å²	110.8	44%	0.44	57%	0.571	S	S	.	*			trans	-45.4	118.1	161.5	-94.9	88.6	0	0	0	103	Y64 Q68 L70 L74	Y64-L66 PolarHBondContact O-N 3.01Å; L66-Q68 PolarHBondContact O-N 3.39Å; L66-L70 HydrophobicContact CD2-CD2 4.1Å; L66-L74 HydrophobicContact CD2-CD1 4.17Å
67	P	46	Very low	46.5	Very low	54 Å²	54	111.1 Å²	111.1	35%	0.351	58%	0.581	S	S	.	*			trans	-48.5	130.9	-174.9	1.3	-10.7	0	0	0	105.3	E65 N69 L70 T71	E65-P67 VanDerWaalsContact O-CD 3.27Å; E65-P67 WeakPolarHBondContact O-CD 3.34Å; P67-N69 CarbonylContact O-C 3.58Å; P67-N69 PolarHBondContact O-N 2.04Å; P67-L70 HydrophobicContact CG-CB 4.2Å; P67-L70 HydrophobicContact CG-CD1 4.48Å; P67-L70 WeakPolarHBondContact O-CA 3.49Å; P67-L70 PolarHBondContact O-N 3.39Å; P67-T71 PolarHBondContact O-N 2.73Å
68	Q	50	Low	46.7	Very low	154 Å²	154	110.6 Å²	110.6	72%	0.72	58%	0.582	S	S	*	*	H	α-helix	trans	-50.5	-24.8	-174.5	-69.4	178.4	-6.2	0	0	111.8	L66 A72	L66-Q68 PolarHBondContact O-N 3.39Å; Q68-A72 WeakPolarHBondContact O-CB 3.26Å; Q68-A72 PolarHBondContact O-N 2.94Å
69	N	48.7	Very low	46.7	Very low	126 Å²	126	112.2 Å²	112.2	67%	0.674	60%	0.597	S	S	*	*	H	α-helix	trans	-59.5	-34.8	169.1	-69.2	-31	0	0	0	115.7	P67 K73	P67-N69 CarbonylContact O-C 3.58Å; P67-N69 PolarHBondContact O-N 2.04Å; N69-K73 WeakPolarHBondContact O-CB 3.33Å; N69-K73 WeakPolarHBondContact O-CG 3.33Å; N69-K73 PolarHBondContact O-N 3.37Å
70	L	43.4	Very low	46.5	Very low	81 Å²	81	113.9 Å²	113.9	42%	0.424	61%	0.605	S	S	.	*	H	α-helix	trans	-81.1	-40.2	179.1	-142.5	145.9	0	0	0	111.1	L66 P67 K73 L74	L66-L70 HydrophobicContact CD2-CD2 4.1Å; P67-L70 HydrophobicContact CG-CB 4.2Å; P67-L70 HydrophobicContact CG-CD1 4.48Å; P67-L70 WeakPolarHBondContact O-CA 3.49Å; P67-L70 PolarHBondContact O-N 3.39Å; L70-K73 CarbonylContact O-C 3.34Å; L70-K73 PolarHBondContact O-N 3.08Å; L70-L74 HydrophobicContact CD2-CD1 3.71Å; L70-L74 HydrophobicContact CD2-CG 4.43Å; L70-L74 WeakPolarHBondContact O-CB 3.32Å; L70-L74 PolarHBondContact O-N 3.33Å
71	T	54.8	Low	46.4	Very low	61 Å²	61	115.1 Å²	115.1	37%	0.374	61%	0.606	S	S	.	*	H	α-helix	trans	-62.9	-45.8	169.6	-17.3	0	0	0	0	110.4	P67 K73 L74 E75	P67-T71 PolarHBondContact O-N 2.73Å; T71-K73 VanDerWaalsContact C-N 3.3Å; T71-K73 PolarHBondContact O-N 2.7Å; T71-L74 PolarHBondContact O-N 3.47Å; T71-L74 VanDerWaalsContact O-N 3.16Å; T71-E75 WeakPolarHBondContact O-CB 3.41Å; T71-E75 WeakPolarHBondContact O-CG 3.43Å; T71-E75 PolarHBondContact O-N 3.04Å
72	A	55.4	Low	46.5	Very low	37 Å²	37	112.5 Å²	112.5	31%	0.306	61%	0.605	S	S	.	*	H	α-helix	trans	-64.7	-31.8	172.7	0	0	0	0	0	112.3	Q68 N76	Q68-A72 WeakPolarHBondContact O-CB 3.26Å; Q68-A72 PolarHBondContact O-N 2.94Å; A72-N76 WeakPolarHBondContact O-CB 3.27Å; A72-N76 PolarHBondContact O-N 3.47Å; A72-N76 PolarHBondContact O-ND2 3.23Å
73	K	49.6	Very low	47	Very low	147 Å²	147	114.5 Å²	114.5	64%	0.639	61%	0.605	S	S	*	*	H	α-helix	trans	-73	-32.5	172.4	-85.3	175.1	177.3	-173.5	0	112.4	N69 L70 T71 N76 L77	N69-K73 WeakPolarHBondContact O-CB 3.33Å; N69-K73 WeakPolarHBondContact O-CG 3.33Å; N69-K73 PolarHBondContact O-N 3.37Å; L70-K73 CarbonylContact O-C 3.34Å; L70-K73 PolarHBondContact O-N 3.08Å; T71-K73 VanDerWaalsContact C-N 3.3Å; T71-K73 PolarHBondContact O-N 2.7Å; K73-N76 CarbonylContact O-C 3.52Å; K73-L77 VanDerWaalsContact O-CG 3.27Å; K73-L77 WeakPolarHBondContact O-CG 3.3Å; K73-L77 PolarHBondContact O-N 2.93Å
74	L	49.8	Very low	47.1	Very low	97 Å²	97	117.1 Å²	117.1	51%	0.508	61%	0.612	S	S	.	*	H	α-helix	trans	-71.3	-41.2	173.7	-89.9	154.7	0	0	0	111.2	L66 L70 T71 L77	L66-L74 HydrophobicContact CD2-CD1 4.17Å; L70-L74 HydrophobicContact CD2-CD1 3.71Å; L70-L74 HydrophobicContact CD2-CG 4.43Å; L70-L74 WeakPolarHBondContact O-CB 3.32Å; L70-L74 PolarHBondContact O-N 3.33Å; T71-L74 PolarHBondContact O-N 3.47Å; T71-L74 VanDerWaalsContact O-N 3.16Å; L74-L77 HydrophobicContact CD2-CD1 4.28Å; L74-L77 WeakPolarHBondContact O-CB 3.27Å; L74-L77 PolarHBondContact O-N 3.23Å
75	E	56.3	Low	47.6	Very low	160 Å²	160	113.1 Å²	113.1	75%	0.748	60%	0.602	S	S	*	*	H	α-helix	trans	-69.5	-34.7	172.2	-72.6	-176.8	167.1	0	0	111.8	T71 L77	T71-E75 WeakPolarHBondContact O-CB 3.41Å; T71-E75 WeakPolarHBondContact O-CG 3.43Å; T71-E75 PolarHBondContact O-N 3.04Å; E75-L77 VanDerWaalsContact C-N 3.3Å
76	N	59.6	Low	47.8	Very low	125 Å²	125	110.2 Å²	110.2	67%	0.668	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-3.8	173.2	-72.9	-46.4	0	0	0	113.7	A72 K73 V78	A72-N76 WeakPolarHBondContact O-CB 3.27Å; A72-N76 PolarHBondContact O-N 3.47Å; A72-N76 PolarHBondContact O-ND2 3.23Å; K73-N76 CarbonylContact O-C 3.52Å; N76-V78 PolarHBondContact O-N 3.3Å
77	L	43.4	Very low	48.5	Very low	119 Å²	119	110.6 Å²	110.6	62%	0.623	61%	0.605	S	S	*	*			trans	-72.7	77.8	162.3	-84.2	161.7	0	0	0	105.5	K73 L74 E75 P79	K73-L77 VanDerWaalsContact O-CG 3.27Å; K73-L77 WeakPolarHBondContact O-CG 3.3Å; K73-L77 PolarHBondContact O-N 2.93Å; L74-L77 HydrophobicContact CD2-CD1 4.28Å; L74-L77 WeakPolarHBondContact O-CB 3.27Å; L74-L77 PolarHBondContact O-N 3.23Å; E75-L77 VanDerWaalsContact C-N 3.3Å; L77-P79 WeakPolarHBondContact O-CD 3.14Å; L77-P79 VanDerWaalsContact O-N 3.07Å
78	V	50.1	Low	49	Very low	99 Å²	99	112.6 Å²	112.6	60%	0.6	62%	0.616	S	S	*	*			trans	-43.4	121.3	160.6	178.8	0	0	0	0	104.7	N76 A80	N76-V78 PolarHBondContact O-N 3.3Å; V78-A80 WeakPolarHBondContact O-CA 3.32Å; V78-A80 PolarHBondContact O-N 2.82Å
79	P	46.4	Very low	49.3	Very low	104 Å²	104	111 Å²	111	68%	0.675	62%	0.617	S	S	*	*			trans	-54.7	101.2	173.3	20.5	-29.7	0	0	0	104.8	L77 D81	L77-P79 WeakPolarHBondContact O-CD 3.14Å; L77-P79 VanDerWaalsContact O-N 3.07Å; P79-D81 WeakPolarHBondContact O-CA 3.29Å; P79-D81 PolarHBondContact O-N 2.94Å
80	A	45	Very low	49.6	Very low	86 Å²	86	108.8 Å²	108.8	71%	0.711	61%	0.609	S	S	*	*			trans	-54.7	109.3	-164.1	0	0	0	0	0	105.2	V78 V82	V78-A80 WeakPolarHBondContact O-CA 3.32Å; V78-A80 PolarHBondContact O-N 2.82Å; A80-V82 WeakPolarHBondContact O-CA 3.3Å; A80-V82 PolarHBondContact O-N 3.06Å
81	D	43.4	Very low	50.1	Low	131 Å²	131	113 Å²	113	70%	0.701	62%	0.624	S	S	*	*			trans	-25.2	95.1	-160.7	-82.1	-42.2	0	0	0	107.3	P79 Y83	P79-D81 WeakPolarHBondContact O-CA 3.29Å; P79-D81 PolarHBondContact O-N 2.94Å; D81-Y83 WeakPolarHBondContact O-CD2 3.44Å; D81-Y83 PolarHBondContact O-N 2.73Å
82	V	44.1	Very low	50.4	Low	120 Å²	120	117.7 Å²	117.7	73%	0.727	65%	0.653	S	S	*	*			trans	-65	94.9	175.5	174.8	0	0	0	0	99	A80 D84	A80-V82 WeakPolarHBondContact O-CA 3.3Å; A80-V82 PolarHBondContact O-N 3.06Å; V82-D84 VanDerWaalsContact C-N 3.34Å; V82-D84 PolarHBondContact O-N 3.03Å
83	Y	45.5	Very low	51.1	Low	193 Å²	193	121 Å²	121	76%	0.757	67%	0.665	S	S	*	*			trans	-45.5	117.7	174.4	-86.4	-94.9	0	0	0	101.6	D81 I85	D81-Y83 WeakPolarHBondContact O-CD2 3.44Å; D81-Y83 PolarHBondContact O-N 2.73Å; Y83-I85 WeakPolarHBondContact O-CG1 3.47Å; Y83-I85 PolarHBondContact O-N 2.75Å
84	D	43.2	Very low	52.3	Low	148 Å²	148	120.1 Å²	120.1	79%	0.791	67%	0.666	S	S	*	*			trans	-57.3	92.9	163.2	-98.3	-33.4	0	0	0	101.9	V82 S86	V82-D84 VanDerWaalsContact C-N 3.34Å; V82-D84 PolarHBondContact O-N 3.03Å; D84-S86 PolarHBondContact O-N 2.86Å
85	I	49.7	Very low	53.4	Low	107 Å²	107	122.4 Å²	122.4	55%	0.549	67%	0.674	S	S	.	*			trans	-75.5	67.8	176.6	-57.3	154.8	0	0	0	102.9	Y83 L107	Y83-I85 WeakPolarHBondContact O-CG1 3.47Å; Y83-I85 PolarHBondContact O-N 2.75Å; I85-L107 HydrophobicContact CB-CD2 4.19Å; I85-L107 HydrophobicContact CD1-CD1 4.18Å; I85-L107 HydrophobicContact CG2-CD2 3.34Å
86	S	45	Very low	54.1	Low	81 Å²	81	116.9 Å²	116.9	57%	0.566	65%	0.654	S	S	*	*			trans	-59.7	134.3	173.6	-73.6	0	0	0	0	105.6	D84 V88	D84-S86 PolarHBondContact O-N 2.86Å; S86-V88 PolarHBondContact O-N 3.29Å; S86-V88 VanDerWaalsContact O-N 3.07Å
87	P	49.3	Very low	54.9	Low	92 Å²	92	115.7 Å²	115.7	60%	0.597	64%	0.643	S	S	*	*			trans	-52.8	123.5	176.8	22.2	-32.3	0	0	0	108.1	V89	P87-V89 PolarHBondContact O-N 3.34Å
88	V	56.4	Low	56.5	Low	97 Å²	97	113.8 Å²	113.8	59%	0.588	63%	0.633	S	S	*	*			trans	-54.7	114.9	-179.7	174.3	0	0	0	0	107.6	S86 S100	S86-V88 PolarHBondContact O-N 3.29Å; S86-V88 VanDerWaalsContact O-N 3.07Å; V88-S100 PolarHBondContact O-OG 3.48Å
89	V	56	Low	57.8	Low	120 Å²	120	117.7 Å²	117.7	73%	0.727	64%	0.637	S	S	*	*			trans	-59.3	125.5	-177.7	178.5	0	0	0	0	108.1	P87 K91	P87-V89 PolarHBondContact O-N 3.34Å; V89-K91 PolarHBondContact O-N 2.72Å
90	P	55	Low	59.2	Low	79 Å²	79	113.4 Å²	113.4	51%	0.513	61%	0.609	S	S	.	*			trans	-63.7	112.5	-173.2	23.4	-33	0	0	0	110.4	F97	P90-F97 HydrophobicContact CB-CD2 3.58Å; P90-F97 HydrophobicContact CB-CE2 3.95Å
91	K	54.7	Low	60.9	Low	170 Å²	170	114.4 Å²	114.4	74%	0.739	60%	0.599	S	S	*	*			trans	-75	144.6	166.2	-70.2	-179	-179.8	174.2	0	108.3	V89 D93 S96	V89-K91 PolarHBondContact O-N 2.72Å; K91-D93 PolarHBondContact O-N 3.22Å; K91-S96 PolarHBondContact O-OG 2.75Å
92	T	59.9	Low	62.6	Low	160 Å²	160	117 Å²	117	98%	0.982	60%	0.599	S	S	*	*	S	Bend	trans	-58.1	11.3	-169.4	29.9	0	0	0	0	117.3
93	D	70.9	Confident	64.4	Low	105 Å²	105	115.3 Å²	115.3	56%	0.561	59%	0.586	S	S	*	*			trans	-108.7	124.1	-179.7	-164.9	-0.4	0	0	0	110.9	K91 Q95 S96 F97	K91-D93 PolarHBondContact O-N 3.22Å; D93-Q95 VanDerWaalsContact C-N 3.27Å; D93-Q95 PolarHBondContact O-N 3.21Å; D93-S96 PolarHBondContact O-N 2.95Å; D93-S96 PolarHBondContact O-OG 2.91Å; D93-F97 PolarHBondContact O-N 3.05Å
94	I	73.8	Confident	66	Low	129 Å²	129	108.5 Å²	108.5	66%	0.662	56%	0.563	S	S	*	*	H	α-helix	trans	-56.6	-39.9	-171.8	-61	167.3	0	0	0	111.4	F97 L98	I94-F97 WeakPolarHBondContact O-CB 3.43Å; I94-F97 PolarHBondContact O-N 2.95Å; I94-L98 HydrophobicContact CG2-CD1 4.21Å; I94-L98 WeakPolarHBondContact O-CG 3.4Å; I94-L98 PolarHBondContact O-N 3.33Å
95	Q	73.6	Confident	67.9	Low	145 Å²	145	104.2 Å²	104.2	68%	0.678	55%	0.548	S	S	*	.	H	α-helix	trans	-65.7	-41.5	178.3	-77	-76.5	-27.5	0	0	111.9	D93 F97 R99	D93-Q95 VanDerWaalsContact C-N 3.27Å; D93-Q95 PolarHBondContact O-N 3.21Å; Q95-F97 VanDerWaalsContact C-N 3.34Å; Q95-R99 WeakPolarHBondContact O-CB 3.39Å; Q95-R99 PolarHBondContact O-N 2.89Å
96	S	71.1	Confident	69.4	Low	45 Å²	45	104.6 Å²	104.6	32%	0.315	55%	0.551	S	S	.	*	H	α-helix	trans	-69.6	-34.2	177.2	73.3	0	0	0	0	112.1	K91 D93 R99 S100	K91-S96 PolarHBondContact O-OG 2.75Å; D93-S96 PolarHBondContact O-N 2.95Å; D93-S96 PolarHBondContact O-OG 2.91Å; S96-R99 PolarHBondContact O-N 2.85Å; S96-S100 WeakPolarHBondContact O-CB 3.37Å; S96-S100 PolarHBondContact O-N 3.42Å
97	F	76.8	Confident	71.2	Confident	99 Å²	99	103.3 Å²	103.3	43%	0.434	54%	0.537	S	S	.	.	H	α-helix	trans	-62.9	-52.3	172.8	-179.3	-90.8	0	0	0	111.5	P90 D93 I94 Q95 R99 S100 E101	P90-F97 HydrophobicContact CB-CD2 3.58Å; P90-F97 HydrophobicContact CB-CE2 3.95Å; D93-F97 PolarHBondContact O-N 3.05Å; I94-F97 WeakPolarHBondContact O-CB 3.43Å; I94-F97 PolarHBondContact O-N 2.95Å; Q95-F97 VanDerWaalsContact C-N 3.34Å; F97-R99 VanDerWaalsContact C-N 3.26Å; F97-R99 PolarHBondContact O-N 3.03Å; F97-S100 WeakPolarHBondContact O-CB 3.31Å; F97-S100 PolarHBondContact O-N 2.69Å; F97-S100 VanDerWaalsContact O-N 3.14Å; F97-E101 WeakPolarHBondContact CE1-OE2 3.47Å; F97-E101 WeakPolarHBondContact O-CB 3.28Å; F97-E101 PolarHBondContact O-N 3.45Å
98	L	77.2	Confident	72.9	Confident	79 Å²	79	102.6 Å²	102.6	41%	0.414	53%	0.531	S	S	.	.	H	α-helix	trans	-60.8	-36	178.5	-71.9	173.1	0	0	0	112.4	I94 R102	I94-L98 HydrophobicContact CG2-CD1 4.21Å; I94-L98 WeakPolarHBondContact O-CG 3.4Å; I94-L98 PolarHBondContact O-N 3.33Å; L98-R102 WeakPolarHBondContact O-CB 3.3Å; L98-R102 WeakPolarHBondContact O-CG 3.43Å; L98-R102 PolarHBondContact O-N 3.48Å
99	R	77.4	Confident	74.3	Confident	181 Å²	181	100.4 Å²	100.4	68%	0.683	52%	0.523	S	S	*	.	H	α-helix	trans	-67.1	-46.6	174.5	-169.9	173.2	-177	171.9	1.9	111.3	Q95 S96 F97 E101 R102 D103	Q95-R99 WeakPolarHBondContact O-CB 3.39Å; Q95-R99 PolarHBondContact O-N 2.89Å; S96-R99 PolarHBondContact O-N 2.85Å; F97-R99 VanDerWaalsContact C-N 3.26Å; F97-R99 PolarHBondContact O-N 3.03Å; R99-E101 VanDerWaalsContact C-N 3.29Å; R99-E101 PolarHBondContact O-N 3.23Å; R99-R102 PolarHBondContact O-N 3.06Å; R99-D103 WeakPolarHBondContact O-CB 3.47Å; R99-D103 VanDerWaalsContact O-CG 3.23Å; R99-D103 PolarHBondContact O-N 2.81Å
100	S	76.3	Confident	75.8	Confident	15 Å²	15	98.8 Å²	98.8	11%	0.105	51%	0.514	C	S	.	.	H	α-helix	trans	-61	-36.7	175.5	-176.4	0	0	0	0	112.6	V88 S96 F97 N104	V88-S100 PolarHBondContact O-OG 3.48Å; S96-S100 WeakPolarHBondContact O-CB 3.37Å; S96-S100 PolarHBondContact O-N 3.42Å; F97-S100 WeakPolarHBondContact O-CB 3.31Å; F97-S100 PolarHBondContact O-N 2.69Å; F97-S100 VanDerWaalsContact O-N 3.14Å; S100-N104 VanDerWaalsContact O-CB 3.29Å; S100-N104 WeakPolarHBondContact O-CB 3.37Å; S100-N104 PolarHBondContact O-N 2.9Å; S100-N104 PolarHBondContact O-ND2 2.92Å
101	E	80.2	Confident	77.2	Confident	106 Å²	106	98.6 Å²	98.6	50%	0.495	51%	0.508	S	S	.	.	H	α-helix	trans	-70	-42.3	177.5	-170.7	178.2	-176.7	0	0	111.3	F97 R99 N104 A105	F97-E101 WeakPolarHBondContact CE1-OE2 3.47Å; F97-E101 WeakPolarHBondContact O-CB 3.28Å; F97-E101 PolarHBondContact O-N 3.45Å; R99-E101 VanDerWaalsContact C-N 3.29Å; R99-E101 PolarHBondContact O-N 3.23Å; E101-N104 PolarHBondContact O-N 3.24Å; E101-A105 VanDerWaalsContact O-CB 3.3Å; E101-A105 WeakPolarHBondContact O-CB 3.48Å; E101-A105 PolarHBondContact O-N 3.49Å
102	R	78	Confident	78.8	Confident	186 Å²	186	96.8 Å²	96.8	70%	0.702	50%	0.504	S	S	*	.	H	α-helix	trans	-61.2	-44.5	172.2	-77.3	178.8	178.2	172.6	0.4	112.1	L98 R99 A105 L106	L98-R102 WeakPolarHBondContact O-CB 3.3Å; L98-R102 WeakPolarHBondContact O-CG 3.43Å; L98-R102 PolarHBondContact O-N 3.48Å; R99-R102 PolarHBondContact O-N 3.06Å; R102-A105 PolarHBondContact O-N 3.43Å; R102-L106 WeakPolarHBondContact O-CB 3.36Å; R102-L106 WeakPolarHBondContact O-CG 3.29Å; R102-L106 PolarHBondContact O-N 3.11Å
103	D	81.6	Confident	80.1	Confident	85 Å²	85	93.2 Å²	93.2	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-64.8	-42.1	178.6	-68.3	-18.6	0	0	0	110.8	R99 L106 L107	R99-D103 WeakPolarHBondContact O-CB 3.47Å; R99-D103 VanDerWaalsContact O-CG 3.23Å; R99-D103 PolarHBondContact O-N 2.81Å; D103-L106 PolarHBondContact O-N 3.48Å; D103-L107 VanDerWaalsContact O-CB 3.29Å; D103-L107 WeakPolarHBondContact O-CB 3.11Å; D103-L107 PolarHBondContact O-N 3.05Å
104	N	80.9	Confident	81	Confident	49 Å²	49	95.2 Å²	95.2	26%	0.262	48%	0.481	S	S	.	.	H	α-helix	trans	-65.6	-38.3	174.6	-74.1	-19.2	0	0	0	112.5	S100 E101 L107 T108	S100-N104 VanDerWaalsContact O-CB 3.29Å; S100-N104 WeakPolarHBondContact O-CB 3.37Å; S100-N104 PolarHBondContact O-N 2.9Å; S100-N104 PolarHBondContact O-ND2 2.92Å; E101-N104 PolarHBondContact O-N 3.24Å; N104-L107 PolarHBondContact O-N 3.44Å; N104-T108 WeakPolarHBondContact O-CB 3.42Å; N104-T108 PolarHBondContact O-N 2.91Å; N104-T108 PolarHBondContact O-OG1 3.06Å
105	A	81.3	Confident	81.7	Confident	59 Å²	59	96.9 Å²	96.9	49%	0.488	48%	0.484	S	S	.	.	H	α-helix	trans	-67.3	-44.2	176.9	0	0	0	0	0	111.6	E101 R102 T108 A109	E101-A105 VanDerWaalsContact O-CB 3.3Å; E101-A105 WeakPolarHBondContact O-CB 3.48Å; E101-A105 PolarHBondContact O-N 3.49Å; R102-A105 PolarHBondContact O-N 3.43Å; A105-T108 PolarHBondContact O-N 3.32Å; A105-A109 WeakPolarHBondContact O-CB 3.5Å; A105-A109 PolarHBondContact O-N 3.22Å
106	L	82.2	Confident	82.4	Confident	115 Å²	115	93.6 Å²	93.6	60%	0.602	48%	0.477	S	S	*	.	H	α-helix	trans	-60.8	-44.8	173.5	-74.6	168.5	0	0	0	111.1	R102 D103 T108 A109 V110	R102-L106 WeakPolarHBondContact O-CB 3.36Å; R102-L106 WeakPolarHBondContact O-CG 3.29Å; R102-L106 PolarHBondContact O-N 3.11Å; D103-L106 PolarHBondContact O-N 3.48Å; L106-T108 PolarHBondContact O-N 3.37Å; L106-A109 PolarHBondContact O-N 3.09Å; L106-V110 VanDerWaalsContact O-CG2 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.48Å; L106-V110 PolarHBondContact O-N 3.42Å
107	L	82.5	Confident	83.2	Confident	53 Å²	53	96.7 Å²	96.7	28%	0.277	49%	0.487	S	S	.	.	H	α-helix	trans	-62.4	-43.8	177.2	-174	74	0	0	0	111.8	I85 D103 N104 A109 V110 L111	I85-L107 HydrophobicContact CB-CD2 4.19Å; I85-L107 HydrophobicContact CD1-CD1 4.18Å; I85-L107 HydrophobicContact CG2-CD2 3.34Å; D103-L107 VanDerWaalsContact O-CB 3.29Å; D103-L107 WeakPolarHBondContact O-CB 3.11Å; D103-L107 PolarHBondContact O-N 3.05Å; N104-L107 PolarHBondContact O-N 3.44Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 3.05Å; L107-V110 PolarHBondContact O-N 3.37Å; L107-L111 HydrophobicContact CG-CD1 4.18Å; L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 VanDerWaalsContact O-CG 3.32Å; L107-L111 WeakPolarHBondContact O-CG 3.39Å; L107-L111 PolarHBondContact O-N 3.3Å
108	T	84.7	Confident	83.9	Confident	78 Å²	78	98.4 Å²	98.4	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-63	-43.6	177.9	-56.2	0	0	0	0	110.7	N104 A105 L106 V110 L111 M112	N104-T108 WeakPolarHBondContact O-CB 3.42Å; N104-T108 PolarHBondContact O-N 2.91Å; N104-T108 PolarHBondContact O-OG1 3.06Å; A105-T108 PolarHBondContact O-N 3.32Å; L106-T108 PolarHBondContact O-N 3.37Å; T108-V110 PolarHBondContact O-N 3.25Å; T108-L111 PolarHBondContact O-N 3.48Å; T108-M112 HydrophobicContact CG2-CG 4.41Å; T108-M112 HydrophobicContact CG2-SD 4.09Å; T108-M112 WeakPolarHBondContact O-CB 3.27Å; T108-M112 VanDerWaalsContact O-CG 3.25Å; T108-M112 WeakPolarHBondContact O-CG 3.45Å; T108-M112 PolarHBondContact O-N 3.48Å
109	A	86.4	Confident	84.5	Confident	50 Å²	50	100.6 Å²	100.6	41%	0.413	50%	0.501	S	S	.	.	H	α-helix	trans	-60.5	-45.2	175.2	0	0	0	0	0	111.8	A105 L106 L107 L111 M112 T113	A105-A109 WeakPolarHBondContact O-CB 3.5Å; A105-A109 PolarHBondContact O-N 3.22Å; L106-A109 PolarHBondContact O-N 3.09Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 3.05Å; A109-L111 PolarHBondContact O-N 2.82Å; A109-M112 PolarHBondContact O-N 3.25Å; A109-T113 WeakPolarHBondContact O-CG2 3.48Å; A109-T113 PolarHBondContact O-N 3.19Å; A109-T113 PolarHBondContact O-OG1 2.87Å; A109-T113 VanDerWaalsContact O-OG1 3.13Å
110	V	87.2	Confident	85	Confident	87 Å²	87	97.5 Å²	97.5	53%	0.527	50%	0.495	S	S	.	.	H	α-helix	trans	-63.3	-39.9	176.3	171.2	0	0	0	0	111.9	L106 L107 T108 T113 R114	L106-V110 VanDerWaalsContact O-CG2 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.48Å; L106-V110 PolarHBondContact O-N 3.42Å; L107-V110 PolarHBondContact O-N 3.37Å; T108-V110 PolarHBondContact O-N 3.25Å; V110-T113 WeakPolarHBondContact CA-OG1 3.28Å; V110-T113 PolarHBondContact O-OG1 2.86Å; V110-R114 WeakPolarHBondContact O-CB 3.26Å; V110-R114 PolarHBondContact O-N 3.42Å
111	L	85.4	Confident	85.7	Confident	74 Å²	74	100.5 Å²	100.5	39%	0.387	51%	0.512	S	S	.	.	H	α-helix	trans	-68.3	-38.8	176.9	-73.2	174.3	0	0	0	111.9	L107 T108 A109 K115	L107-L111 HydrophobicContact CG-CD1 4.18Å; L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 VanDerWaalsContact O-CG 3.32Å; L107-L111 WeakPolarHBondContact O-CG 3.39Å; L107-L111 PolarHBondContact O-N 3.3Å; T108-L111 PolarHBondContact O-N 3.48Å; A109-L111 PolarHBondContact O-N 2.82Å; L111-K115 WeakPolarHBondContact O-CB 3.46Å; L111-K115 PolarHBondContact O-N 3.48Å
112	M	87.7	Confident	86.2	Confident	133 Å²	133	101.3 Å²	101.3	66%	0.655	52%	0.516	S	S	*	.	H	α-helix	trans	-66.9	-44.9	176	-72.7	179.7	114.1	0	0	111.7	T108 A109 K115 S116	T108-M112 HydrophobicContact CG2-CG 4.41Å; T108-M112 HydrophobicContact CG2-SD 4.09Å; T108-M112 WeakPolarHBondContact O-CB 3.27Å; T108-M112 VanDerWaalsContact O-CG 3.25Å; T108-M112 WeakPolarHBondContact O-CG 3.45Å; T108-M112 PolarHBondContact O-N 3.48Å; A109-M112 PolarHBondContact O-N 3.25Å; M112-K115 PolarHBondContact O-N 3.02Å; M112-S116 WeakPolarHBondContact O-CB 3.28Å; M112-S116 PolarHBondContact O-N 3.46Å
113	T	87.5	Confident	86.6	Confident	84 Å²	84	97.7 Å²	97.7	52%	0.515	51%	0.507	S	S	.	.	H	α-helix	trans	-65.3	-43.2	176.4	54.1	0	0	0	0	111.1	A109 V110 K115 S116 M117	A109-T113 WeakPolarHBondContact O-CG2 3.48Å; A109-T113 PolarHBondContact O-N 3.19Å; A109-T113 PolarHBondContact O-OG1 2.87Å; A109-T113 VanDerWaalsContact O-OG1 3.13Å; V110-T113 WeakPolarHBondContact CA-OG1 3.28Å; V110-T113 PolarHBondContact O-OG1 2.86Å; T113-K115 VanDerWaalsContact C-N 3.33Å; T113-K115 PolarHBondContact O-N 3.38Å; T113-S116 PolarHBondContact O-N 3.1Å; T113-M117 WeakPolarHBondContact O-CB 3.31Å; T113-M117 VanDerWaalsContact O-CG 3.25Å; T113-M117 WeakPolarHBondContact O-CG 3.2Å; T113-M117 PolarHBondContact O-N 3Å
114	R	89.7	Confident	86.8	Confident	147 Å²	147	103.1 Å²	103.1	56%	0.555	52%	0.521	S	S	*	.	H	α-helix	trans	-56.6	-47.7	174	-174.4	-179.5	72.9	148.5	1.8	111.1	V110 S116 M117 F118	V110-R114 WeakPolarHBondContact O-CB 3.26Å; V110-R114 PolarHBondContact O-N 3.42Å; R114-S116 PolarHBondContact O-N 2.93Å; R114-M117 PolarHBondContact O-N 3.12Å; R114-F118 HydrophobicContact CG-CD2 3.7Å; R114-F118 HydrophobicContact CG-CE2 3.56Å; R114-F118 WeakPolarHBondContact O-CD2 3.48Å; R114-F118 PolarHBondContact O-N 2.69Å
115	K	87.7	Confident	87.2	Confident	165 Å²	165	104.2 Å²	104.2	72%	0.717	53%	0.532	S	S	*	.	H	α-helix	trans	-63.2	-41	178.6	-172.4	177.1	179.8	179.5	0	112.2	L111 M112 T113 K119	L111-K115 WeakPolarHBondContact O-CB 3.46Å; L111-K115 PolarHBondContact O-N 3.48Å; M112-K115 PolarHBondContact O-N 3.02Å; T113-K115 VanDerWaalsContact C-N 3.33Å; T113-K115 PolarHBondContact O-N 3.38Å; K115-K119 PolarHBondContact O-N 3.21Å; K115-K119 VanDerWaalsContact O-N 3.12Å
116	S	89.5	Confident	87.4	Confident	76 Å²	76	106 Å²	106	53%	0.531	53%	0.533	S	S	.	.	H	α-helix	trans	-63.7	-46.6	176	-166.4	0	0	0	0	111.8	M112 T113 R114 F118 K119 E120	M112-S116 WeakPolarHBondContact O-CB 3.28Å; M112-S116 PolarHBondContact O-N 3.46Å; T113-S116 PolarHBondContact O-N 3.1Å; R114-S116 PolarHBondContact O-N 2.93Å; S116-F118 PolarHBondContact O-N 2.77Å; S116-K119 PolarHBondContact O-N 2.82Å; S116-E120 PolarHBondContact O-N 2.85Å
117	M	87.7	Confident	87.4	Confident	109 Å²	109	103 Å²	103	54%	0.537	53%	0.525	S	S	.	.	H	α-helix	trans	-61.8	-43.4	178	-72.3	-65	-54.4	0	0	111.8	T113 R114 K119 E120 V121	T113-M117 WeakPolarHBondContact O-CB 3.31Å; T113-M117 VanDerWaalsContact O-CG 3.25Å; T113-M117 WeakPolarHBondContact O-CG 3.2Å; T113-M117 PolarHBondContact O-N 3Å; R114-M117 PolarHBondContact O-N 3.12Å; M117-K119 VanDerWaalsContact C-N 3.31Å; M117-K119 PolarHBondContact O-N 2.91Å; M117-E120 PolarHBondContact O-N 3.47Å; M117-V121 WeakPolarHBondContact O-CB 3.35Å; M117-V121 VanDerWaalsContact O-CG2 3.24Å; M117-V121 WeakPolarHBondContact O-CG2 3.35Å; M117-V121 PolarHBondContact O-N 2.92Å
118	F	91.3	Very high	87.5	Confident	136 Å²	136	106.6 Å²	106.6	60%	0.596	54%	0.536	S	S	*	.	H	α-helix	trans	-60.6	-43	175.9	-89.6	-68.3	0	0	0	111.7	R114 S116 V121 E122	R114-F118 HydrophobicContact CG-CD2 3.7Å; R114-F118 HydrophobicContact CG-CE2 3.56Å; R114-F118 WeakPolarHBondContact O-CD2 3.48Å; R114-F118 PolarHBondContact O-N 2.69Å; S116-F118 PolarHBondContact O-N 2.77Å; F118-V121 PolarHBondContact O-N 2.99Å; F118-E122 VanDerWaalsContact O-CB 3.27Å; F118-E122 WeakPolarHBondContact O-CB 3.48Å; F118-E122 PolarHBondContact O-N 3.4Å
119	K	88.6	Confident	87.5	Confident	125 Å²	125	107.6 Å²	107.6	54%	0.543	54%	0.537	S	S	.	.	H	α-helix	trans	-64.3	-43.8	178.6	-169.7	-179.5	178.8	-156	0	112.2	K115 S116 M117 E122 E123	K115-K119 PolarHBondContact O-N 3.21Å; K115-K119 VanDerWaalsContact O-N 3.12Å; S116-K119 PolarHBondContact O-N 2.82Å; M117-K119 VanDerWaalsContact C-N 3.31Å; M117-K119 PolarHBondContact O-N 2.91Å; K119-E122 PolarHBondContact O-N 3.24Å; K119-E123 WeakPolarHBondContact CE-OE1 3.38Å; K119-E123 IonicContact NZ-OE1 2.69Å; K119-E123 WeakPolarHBondContact O-CB 3.31Å; K119-E123 WeakPolarHBondContact O-CG 3.46Å; K119-E123 PolarHBondContact O-N 2.88Å
120	E	88.7	Confident	87.3	Confident	116 Å²	116	110.8 Å²	110.8	54%	0.542	54%	0.544	S	S	.	.	H	α-helix	trans	-65.1	-40	177.8	-175.3	178.4	176.9	0	0	112.2	S116 M117 R124	S116-E120 PolarHBondContact O-N 2.85Å; M117-E120 PolarHBondContact O-N 3.47Å; E120-R124 WeakPolarHBondContact O-CB 3.35Å; E120-R124 PolarHBondContact O-N 3.42Å
121	V	90.9	Very high	86.7	Confident	78 Å²	78	109.9 Å²	109.9	47%	0.473	54%	0.539	S	S	.	.	H	α-helix	trans	-65.8	-43.6	175.3	170.8	0	0	0	0	110.9	M117 F118 R124 C125	M117-V121 WeakPolarHBondContact O-CB 3.35Å; M117-V121 VanDerWaalsContact O-CG2 3.24Å; M117-V121 WeakPolarHBondContact O-CG2 3.35Å; M117-V121 PolarHBondContact O-N 2.92Å; F118-V121 PolarHBondContact O-N 2.99Å; V121-R124 PolarHBondContact O-N 3.3Å; V121-C125 WeakPolarHBondContact O-CB 3.41Å; V121-C125 PolarHBondContact O-N 3.35Å; V121-C125 PolarHBondContact O-SG 2.69Å
122	E	90.2	Very high	86.3	Confident	122 Å²	122	110.6 Å²	110.6	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-61.4	-49.7	177.2	-170.6	172.4	-161.8	0	0	111.1	F118 K119 R124 C125 D126	F118-E122 VanDerWaalsContact O-CB 3.27Å; F118-E122 WeakPolarHBondContact O-CB 3.48Å; F118-E122 PolarHBondContact O-N 3.4Å; K119-E122 PolarHBondContact O-N 3.24Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 3.05Å; E122-C125 PolarHBondContact O-N 2.98Å; E122-C125 VanDerWaalsContact O-N 3.16Å; E122-D126 WeakPolarHBondContact O-CB 3.21Å; E122-D126 PolarHBondContact O-N 3.24Å
123	E	88	Confident	85.9	Confident	110 Å²	110	111.2 Å²	111.2	51%	0.514	53%	0.531	S	S	.	.	H	α-helix	trans	-57.3	-40	175.5	-74.8	175.4	-179.7	0	0	112.2	K119 A127	K119-E123 WeakPolarHBondContact CE-OE1 3.38Å; K119-E123 IonicContact NZ-OE1 2.69Å; K119-E123 WeakPolarHBondContact O-CB 3.31Å; K119-E123 WeakPolarHBondContact O-CG 3.46Å; K119-E123 PolarHBondContact O-N 2.88Å; E123-A127 WeakPolarHBondContact O-CB 2.95Å; E123-A127 PolarHBondContact O-N 3.46Å
124	R	85.3	Confident	85.3	Confident	200 Å²	200	112.3 Å²	112.3	76%	0.755	53%	0.531	S	S	*	.	H	α-helix	trans	-72.9	-37.5	178.1	-169.3	166	-174.7	88.7	3.1	112.7	E120 V121 E122 Y128	E120-R124 WeakPolarHBondContact O-CB 3.35Å; E120-R124 PolarHBondContact O-N 3.42Å; V121-R124 PolarHBondContact O-N 3.3Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 3.05Å; R124-Y128 WeakPolarHBondContact O-CB 3.42Å; R124-Y128 PolarHBondContact O-N 2.78Å
125	C	89	Confident	84.3	Confident	72 Å²	72	110 Å²	110	49%	0.486	53%	0.526	S	S	.	.	H	α-helix	trans	-65.2	-43.1	174	-77.9	0	0	0	0	111.1	V121 E122 Y128 L129	V121-C125 WeakPolarHBondContact O-CB 3.41Å; V121-C125 PolarHBondContact O-N 3.35Å; V121-C125 PolarHBondContact O-SG 2.69Å; E122-C125 PolarHBondContact O-N 2.98Å; E122-C125 VanDerWaalsContact O-N 3.16Å; C125-Y128 PolarHBondContact O-N 3.24Å; C125-L129 VanDerWaalsContact O-CB 3.23Å; C125-L129 WeakPolarHBondContact O-CB 3.45Å; C125-L129 PolarHBondContact O-N 3.25Å
126	D	85.2	Confident	83.4	Confident	95 Å²	95	105.4 Å²	105.4	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-45.7	177.5	-73.9	-15.9	0	0	0	111.2	E122 Y128 L129 Q130	E122-D126 WeakPolarHBondContact O-CB 3.21Å; E122-D126 PolarHBondContact O-N 3.24Å; D126-Y128 PolarHBondContact O-N 2.88Å; D126-L129 PolarHBondContact O-N 3.39Å; D126-Q130 WeakPolarHBondContact O-CB 3.46Å; D126-Q130 PolarHBondContact O-N 3.47Å
127	A	83.1	Confident	82.5	Confident	53 Å²	53	102.9 Å²	102.9	44%	0.438	49%	0.491	S	S	.	.	H	α-helix	trans	-61	-45.3	175.9	0	0	0	0	0	111.9	E123 Q130 T131	E123-A127 WeakPolarHBondContact O-CB 2.95Å; E123-A127 PolarHBondContact O-N 3.46Å; A127-Q130 PolarHBondContact O-N 3.23Å; A127-T131 WeakPolarHBondContact O-CG2 2.95Å; A127-T131 PolarHBondContact O-N 2.77Å; A127-T131 PolarHBondContact O-OG1 2.98Å
128	Y	84.8	Confident	81.4	Confident	129 Å²	129	99.9 Å²	99.9	51%	0.506	48%	0.483	S	S	.	.	H	α-helix	trans	-62	-48.5	176.2	174.5	-97.9	0	0	0	111.4	R124 C125 D126 Q130 T131 W132	R124-Y128 WeakPolarHBondContact O-CB 3.42Å; R124-Y128 PolarHBondContact O-N 2.78Å; C125-Y128 PolarHBondContact O-N 3.24Å; D126-Y128 PolarHBondContact O-N 2.88Å; Y128-Q130 VanDerWaalsContact C-N 3.27Å; Y128-Q130 PolarHBondContact O-N 2.98Å; Y128-T131 PolarHBondContact O-N 2.92Å; Y128-T131 PolarHBondContact O-OG1 3.44Å; Y128-W132 WeakPolarHBondContact O-CB 3.17Å; Y128-W132 PolarHBondContact O-N 3.48Å
129	L	83.6	Confident	80	Confident	98 Å²	98	94.2 Å²	94.2	51%	0.513	46%	0.463	S	S	.	.	H	α-helix	trans	-61	-37.9	179.8	-169.7	73.4	0	0	0	111.4	C125 D126 W132 W133	C125-L129 VanDerWaalsContact O-CB 3.23Å; C125-L129 WeakPolarHBondContact O-CB 3.45Å; C125-L129 PolarHBondContact O-N 3.25Å; D126-L129 PolarHBondContact O-N 3.39Å; L129-W132 HydrophobicContact CD1-CE3 4.15Å; L129-W133 WeakPolarHBondContact O-CB 3.35Å; L129-W133 PolarHBondContact O-N 3.49Å
130	Q	81.7	Confident	78.8	Confident	117 Å²	117	90.4 Å²	90.4	55%	0.547	45%	0.451	S	S	.	.	H	α-helix	trans	-64.6	-50.7	174.8	-176.8	178.3	-13.9	0	0	111.3	D126 A127 Y128 W132 W133 E134	D126-Q130 WeakPolarHBondContact O-CB 3.46Å; D126-Q130 PolarHBondContact O-N 3.47Å; A127-Q130 PolarHBondContact O-N 3.23Å; Y128-Q130 VanDerWaalsContact C-N 3.27Å; Y128-Q130 PolarHBondContact O-N 2.98Å; Q130-W132 VanDerWaalsContact C-N 3.33Å; Q130-W132 PolarHBondContact O-N 2.95Å; Q130-W133 PolarHBondContact O-N 2.97Å; Q130-E134 HydrophobicContact CG-CG 4.48Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.27Å; Q130-E134 PolarHBondContact NE2-OE1 3.22Å; Q130-E134 WeakPolarHBondContact O-CB 3.43Å; Q130-E134 WeakPolarHBondContact O-CG 3.38Å; Q130-E134 PolarHBondContact O-N 2.88Å
131	T	76.1	Confident	77.5	Confident	69 Å²	69	90.3 Å²	90.3	42%	0.423	45%	0.453	S	S	.	.	H	α-helix	trans	-61.5	-41.6	179	55	0	0	0	0	112.4	A127 Y128 E134 Q135	A127-T131 WeakPolarHBondContact O-CG2 2.95Å; A127-T131 PolarHBondContact O-N 2.77Å; A127-T131 PolarHBondContact O-OG1 2.98Å; Y128-T131 PolarHBondContact O-N 2.92Å; Y128-T131 PolarHBondContact O-OG1 3.44Å; T131-E134 PolarHBondContact O-N 3.32Å; T131-Q135 WeakPolarHBondContact O-CG 3.35Å; T131-Q135 PolarHBondContact O-N 3.38Å
132	W	76.1	Confident	75.9	Confident	89 Å²	89	87 Å²	87	34%	0.337	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-45.8	174.6	175.2	78.2	0	0	0	111.1	Y128 L129 Q130 E134 Q135 E136 D160	Y128-W132 WeakPolarHBondContact O-CB 3.17Å; Y128-W132 PolarHBondContact O-N 3.48Å; L129-W132 HydrophobicContact CD1-CE3 4.15Å; Q130-W132 VanDerWaalsContact C-N 3.33Å; Q130-W132 PolarHBondContact O-N 2.95Å; W132-E134 VanDerWaalsContact C-N 3.34Å; W132-E134 PolarHBondContact O-N 3.3Å; W132-Q135 PolarHBondContact O-N 3.36Å; W132-E136 WeakPolarHBondContact O-CB 3.36Å; W132-E136 PolarHBondContact O-N 2.87Å; W132-D160 PolarHBondContact NE1-OD2 3.44Å
133	W	79.2	Confident	74.1	Confident	146 Å²	146	81.7 Å²	81.7	55%	0.553	41%	0.412	S	S	*	.	H	α-helix	trans	-64.1	-38.1	177.5	177.9	-111.4	0	0	0	112.4	L129 Q130 A137	L129-W133 WeakPolarHBondContact O-CB 3.35Å; L129-W133 PolarHBondContact O-N 3.49Å; Q130-W133 PolarHBondContact O-N 2.97Å; W133-A137 HydrophobicContact CZ2-CB 4.48Å; W133-A137 WeakPolarHBondContact O-CA 3.38Å; W133-A137 WeakPolarHBondContact O-CB 3.41Å; W133-A137 PolarHBondContact O-N 3Å
134	E	75.5	Confident	72.4	Confident	106 Å²	106	80.6 Å²	80.6	50%	0.495	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-41.5	175.7	-75.4	172.3	-171.4	0	0	111.6	Q130 T131 W132 A138	Q130-E134 HydrophobicContact CG-CG 4.48Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.27Å; Q130-E134 PolarHBondContact NE2-OE1 3.22Å; Q130-E134 WeakPolarHBondContact O-CB 3.43Å; Q130-E134 WeakPolarHBondContact O-CG 3.38Å; Q130-E134 PolarHBondContact O-N 2.88Å; T131-E134 PolarHBondContact O-N 3.32Å; W132-E134 VanDerWaalsContact C-N 3.34Å; W132-E134 PolarHBondContact O-N 3.3Å; E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 3.05Å
135	Q	68.8	Low	70.9	Confident	99 Å²	99	76 Å²	76	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-64.9	-47.7	175.1	-71.6	175.2	3.3	0	0	111.9	T131 W132 A138 G139	T131-Q135 WeakPolarHBondContact O-CG 3.35Å; T131-Q135 PolarHBondContact O-N 3.38Å; W132-Q135 PolarHBondContact O-N 3.36Å; Q135-A138 PolarHBondContact O-N 3.47Å; Q135-G139 PolarHBondContact O-N 2.73Å
136	E	68.5	Low	68.8	Low	69 Å²	69	73.6 Å²	73.6	32%	0.322	39%	0.394	S	S	.	.	H	α-helix	trans	-67.4	-43	179.5	-176.7	57.9	-160.2	0	0	111.2	W132 A138 G139 V140	W132-E136 WeakPolarHBondContact O-CB 3.36Å; W132-E136 PolarHBondContact O-N 2.87Å; E136-A138 VanDerWaalsContact C-N 3.32Å; E136-A138 PolarHBondContact O-N 3.37Å; E136-G139 CarbonylContact O-C 3.57Å; E136-G139 PolarHBondContact O-N 3.46Å; E136-G139 VanDerWaalsContact O-N 3.15Å; E136-V140 HydrophobicContact CG-CG2 4.38Å; E136-V140 WeakPolarHBondContact O-CB 3.19Å; E136-V140 VanDerWaalsContact O-CG2 3.3Å; E136-V140 WeakPolarHBondContact O-CG2 3.4Å; E136-V140 PolarHBondContact O-N 2.98Å
137	A	70.5	Confident	66.7	Low	22 Å²	22	70.7 Å²	70.7	18%	0.182	38%	0.381	C	S	.	.	H	α-helix	trans	-61	-42.6	174.6	0	0	0	0	0	110.9	W133 V140 L141	W133-A137 HydrophobicContact CZ2-CB 4.48Å; W133-A137 WeakPolarHBondContact O-CA 3.38Å; W133-A137 WeakPolarHBondContact O-CB 3.41Å; W133-A137 PolarHBondContact O-N 3Å; A137-V140 PolarHBondContact O-N 2.83Å; A137-L141 WeakPolarHBondContact O-CB 3.37Å; A137-L141 WeakPolarHBondContact O-CG 3.44Å; A137-L141 PolarHBondContact O-N 3.46Å
138	A	64.1	Low	64.7	Low	46 Å²	46	74.2 Å²	74.2	38%	0.38	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-42.5	173.7	0	0	0	0	0	111.6	E134 Q135 E136 S142	E134-A138 WeakPolarHBondContact O-CB 3.38Å; E134-A138 PolarHBondContact O-N 3.05Å; Q135-A138 PolarHBondContact O-N 3.47Å; E136-A138 VanDerWaalsContact C-N 3.32Å; E136-A138 PolarHBondContact O-N 3.37Å; A138-S142 WeakPolarHBondContact O-CB 3.39Å; A138-S142 PolarHBondContact O-N 3.46Å
139	G	62.6	Low	62.7	Low	17 Å²	17	68.5 Å²	68.5	18%	0.175	37%	0.373	C	S	.	.	H	α-helix	trans	-62	-46.6	175.6	0	0	0	0	0	113.1	Q135 E136 G143	Q135-G139 PolarHBondContact O-N 2.73Å; E136-G139 CarbonylContact O-C 3.57Å; E136-G139 PolarHBondContact O-N 3.46Å; E136-G139 VanDerWaalsContact O-N 3.15Å; G139-G143 PolarHBondContact O-N 3.07Å
140	V	62	Low	60.8	Low	46 Å²	46	67.4 Å²	67.4	28%	0.279	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-48.1	177.3	172.5	0	0	0	0	110.9	L57 E136 A137 S142 G143 L144	L57-V140 HydrophobicContact CD1-CG1 4.22Å; E136-V140 HydrophobicContact CG-CG2 4.38Å; E136-V140 WeakPolarHBondContact O-CB 3.19Å; E136-V140 VanDerWaalsContact O-CG2 3.3Å; E136-V140 WeakPolarHBondContact O-CG2 3.4Å; E136-V140 PolarHBondContact O-N 2.98Å; A137-V140 PolarHBondContact O-N 2.83Å; V140-S142 VanDerWaalsContact C-N 3.34Å; V140-S142 PolarHBondContact O-N 3.21Å; V140-G143 CarbonylContact O-C 3.56Å; V140-G143 WeakPolarHBondContact O-CA 3.47Å; V140-G143 PolarHBondContact O-N 2.68Å; V140-G143 VanDerWaalsContact O-N 3.16Å; V140-L144 HydrophobicContact CG1-CD1 3.99Å; V140-L144 HydrophobicContact CG1-CG 4.39Å; V140-L144 VanDerWaalsContact O-CG 3.32Å; V140-L144 WeakPolarHBondContact O-CG 3.25Å; V140-L144 PolarHBondContact O-N 3.31Å
141	L	61.6	Low	59	Low	113 Å²	113	62.1 Å²	62.1	59%	0.592	35%	0.347	S	S	*	.	H	α-helix	trans	-63.1	-40.5	178.2	-73.1	171.4	0	0	0	111.6	A137 G143 L144 S145	A137-L141 WeakPolarHBondContact O-CB 3.37Å; A137-L141 WeakPolarHBondContact O-CG 3.44Å; A137-L141 PolarHBondContact O-N 3.46Å; L141-G143 VanDerWaalsContact C-N 3.35Å; L141-L144 PolarHBondContact O-N 2.95Å; L141-S145 VanDerWaalsContact O-CB 3.29Å; L141-S145 WeakPolarHBondContact O-CB 3.33Å; L141-S145 PolarHBondContact O-N 3.35Å
142	S	57.4	Low	57.2	Low	9 Å²	9	59.5 Å²	59.5	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-59	-46	171.9	176.4	0	0	0	0	111.1	A138 V140 L144 S145 G146 H559 P561	A138-S142 WeakPolarHBondContact O-CB 3.39Å; A138-S142 PolarHBondContact O-N 3.46Å; V140-S142 VanDerWaalsContact C-N 3.34Å; V140-S142 PolarHBondContact O-N 3.21Å; S142-L144 VanDerWaalsContact C-N 3.34Å; S142-L144 PolarHBondContact O-N 3.33Å; S142-S145 PolarHBondContact O-N 2.9Å; S142-G146 PolarHBondContact O-N 3.18Å; S142-H559 VanDerWaalsContact CB-O 3.3Å; S142-H559 WeakPolarHBondContact CB-O 3.25Å; S142-H559 PolarHBondContact OG-O 3.19Å; S142-P561 WeakPolarHBondContact OG-CA 3.23Å; S142-P561 VanDerWaalsContact OG-CD 3.24Å; S142-P561 WeakPolarHBondContact OG-CD 3.38Å
143	G	53.4	Low	55.5	Low	11 Å²	11	57 Å²	57	11%	0.113	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-36.1	174.7	0	0	0	0	0	113.9	G139 V140 L141 S147	G139-G143 PolarHBondContact O-N 3.07Å; V140-G143 CarbonylContact O-C 3.56Å; V140-G143 WeakPolarHBondContact O-CA 3.47Å; V140-G143 PolarHBondContact O-N 2.68Å; V140-G143 VanDerWaalsContact O-N 3.16Å; L141-G143 VanDerWaalsContact C-N 3.35Å; G143-S147 WeakPolarHBondContact O-CB 3.49Å
144	L	52.5	Low	53.7	Low	87 Å²	87	55 Å²	55	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-74.3	-45.2	177.2	-70.7	172.2	0	0	0	111.9	L57 V140 L141 S142 G146 S147	L57-L144 HydrophobicContact CD1-CD1 4.48Å; V140-L144 HydrophobicContact CG1-CD1 3.99Å; V140-L144 HydrophobicContact CG1-CG 4.39Å; V140-L144 VanDerWaalsContact O-CG 3.32Å; V140-L144 WeakPolarHBondContact O-CG 3.25Å; V140-L144 PolarHBondContact O-N 3.31Å; L141-L144 PolarHBondContact O-N 2.95Å; S142-L144 VanDerWaalsContact C-N 3.34Å; S142-L144 PolarHBondContact O-N 3.33Å; L144-G146 VanDerWaalsContact C-N 3.31Å; L144-G146 PolarHBondContact O-N 3.25Å; L144-S147 VanDerWaalsContact O-CB 3.31Å; L144-S147 WeakPolarHBondContact O-CB 3.45Å; L144-S147 PolarHBondContact O-N 3.48Å; L144-S147 PolarHBondContact O-OG 3.4Å
145	S	52.8	Low	52	Low	104 Å²	104	50.5 Å²	50.5	73%	0.727	30%	0.302	S	S	*	.	H	α-helix	trans	-70.1	-25.3	-177.4	-168.8	0	0	0	0	112.8	L141 S142	L141-S145 VanDerWaalsContact O-CB 3.29Å; L141-S145 WeakPolarHBondContact O-CB 3.33Å; L141-S145 PolarHBondContact O-N 3.35Å; S142-S145 PolarHBondContact O-N 2.9Å
146	G	45.8	Very low	50.6	Low	20 Å²	20	48.4 Å²	48.4	21%	0.206	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.4	175.4	0	0	0	0	0	115.1	S142 L144 N148	S142-G146 PolarHBondContact O-N 3.18Å; L144-G146 VanDerWaalsContact C-N 3.31Å; L144-G146 PolarHBondContact O-N 3.25Å; G146-N148 VanDerWaalsContact C-N 3.27Å; G146-N148 PolarHBondContact O-N 3.47Å
147	S	40.2	Very low	49.2	Very low	34 Å²	34	47.2 Å²	47.2	24%	0.238	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	49.5	-158	80.9	0	0	0	0	117.8	K53 G143 L144	K53-S147 PolarHBondContact NZ-O 2.89Å; K53-S147 PolarHBondContact NZ-OG 3.29Å; K53-S147 VanDerWaalsContact NZ-OG 3.15Å; G143-S147 WeakPolarHBondContact O-CB 3.49Å; L144-S147 VanDerWaalsContact O-CB 3.31Å; L144-S147 WeakPolarHBondContact O-CB 3.45Å; L144-S147 PolarHBondContact O-N 3.48Å; L144-S147 PolarHBondContact O-OG 3.4Å
148	N	42.3	Very low	47.5	Very low	127 Å²	127	49.3 Å²	49.3	68%	0.679	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-4.8	163.4	-73.7	26.1	0	0	0	113.4	G146	G146-N148 VanDerWaalsContact C-N 3.27Å; G146-N148 PolarHBondContact O-N 3.47Å
149	G	41.2	Very low	46.1	Very low	9 Å²	9	49.7 Å²	49.7	9%	0.093	30%	0.304	C	S	.	.	S	Bend	trans	-131.5	150.2	179.3	0	0	0	0	0	114.4	L151	G149-L151 PolarHBondContact O-N 3.34Å; G149-L151 VanDerWaalsContact O-N 3.17Å
150	P	45.5	Very low	44.8	Very low	76 Å²	76	52.2 Å²	52.2	49%	0.494	31%	0.313	S	S	.	.	H	α-helix	trans	-59.4	-23.3	171.1	23.8	-32	0	0	0	112.4	D152 T153 E154	P150-D152 PolarHBondContact O-N 3Å; P150-T153 WeakPolarHBondContact O-CA 3.14Å; P150-T153 VanDerWaalsContact O-CB 3.22Å; P150-T153 WeakPolarHBondContact O-CB 3.44Å; P150-T153 PolarHBondContact O-N 3.36Å; P150-E154 PolarHBondContact O-N 3.35Å; P150-E154 VanDerWaalsContact O-N 3.08Å
151	L	42.1	Very low	43.4	Very low	5 Å²	5	54.1 Å²	54.1	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-46.7	-177.4	-150.5	69.3	0	0	0	114.3	G149 T153 E154 L155 A530 R531 R536 L562 L584	G149-L151 PolarHBondContact O-N 3.34Å; G149-L151 VanDerWaalsContact O-N 3.17Å; L151-T153 PolarHBondContact O-N 2.85Å; L151-E154 PolarHBondContact O-N 2.81Å; L151-L155 PolarHBondContact O-N 2.94Å; L151-A530 HydrophobicContact CD2-CB 4.24Å; L151-R531 HydrophobicContact CD2-CG 4.43Å; L151-R536 VanDerWaalsContact CD1-NH2 3.31Å; L151-L562 HydrophobicContact CD2-CD2 3.58Å; L151-L584 HydrophobicContact CD1-CD1 4.28Å; L151-L584 HydrophobicContact CD1-CD2 3.37Å; L151-L584 HydrophobicContact CD1-CG 4.25Å; L151-L584 HydrophobicContact CD2-CD2 3.59Å; L151-L584 HydrophobicContact CG-CD2 3.31Å
152	D	39.2	Very low	41.9	Very low	15 Å²	15	56.2 Å²	56.2	8%	0.08	33%	0.328	C	S	.	.	H	α-helix	trans	-71.4	-21.6	176.7	-83	-41.2	0	0	0	111.9	P150 L155 T156 R580	P150-D152 PolarHBondContact O-N 3Å; D152-L155 PolarHBondContact O-N 3.16Å; D152-T156 PolarHBondContact O-N 3.03Å; D152-R580 IonicContact OD1-CZ 2.96Å; D152-R580 IonicContact OD1-NE 3.52Å; D152-R580 PolarHBondContact OD1-NE 3.39Å; D152-R580 IonicContact OD1-NH2 2.71Å; D152-R580 PolarHBondContact OD1-NH2 3.02Å
153	T	40.8	Very low	40.5	Very low	37 Å²	37	58.8 Å²	58.8	23%	0.227	35%	0.347	C	S	.	.	H	α-helix	trans	-73.1	-33.7	173.9	-46.2	0	0	0	0	111.1	V52 R56 P150 L151 L155 T156	V52-T153 HydrophobicContact CG1-CG2 3.87Å; R56-T153 PolarHBondContact NH1-O 3.12Å; P150-T153 WeakPolarHBondContact O-CA 3.14Å; P150-T153 VanDerWaalsContact O-CB 3.22Å; P150-T153 WeakPolarHBondContact O-CB 3.44Å; P150-T153 PolarHBondContact O-N 3.36Å; L151-T153 PolarHBondContact O-N 2.85Å; T153-L155 VanDerWaalsContact C-N 3.28Å; T153-L155 PolarHBondContact O-N 3.01Å; T153-T156 PolarHBondContact O-OG1 2.85Å
154	E	40.3	Very low	39.4	Very low	103 Å²	103	63.3 Å²	63.3	48%	0.481	36%	0.361	S	S	.	.	H	α-helix	trans	-69.9	-27.1	175.5	-70.5	-177.1	176.3	0	0	112.4	P150 L151 S157 R587	P150-E154 PolarHBondContact O-N 3.35Å; P150-E154 VanDerWaalsContact O-N 3.08Å; L151-E154 PolarHBondContact O-N 2.81Å; E154-S157 PolarHBondContact O-N 3.22Å; E154-S157 PolarHBondContact O-OG 3.33Å; E154-R587 PolarHBondContact O-NH1 3.2Å
155	L	40.9	Very low	38.1	Very low	12 Å²	12	63.9 Å²	63.9	6%	0.063	37%	0.372	C	S	.	.	H	α-helix	trans	-88.7	-11.6	-175.9	-92.5	142.6	0	0	0	116.1	L151 D152 T153 S157 V158 R580 L584	L151-L155 PolarHBondContact O-N 2.94Å; D152-L155 PolarHBondContact O-N 3.16Å; T153-L155 VanDerWaalsContact C-N 3.28Å; T153-L155 PolarHBondContact O-N 3.01Å; L155-S157 PolarHBondContact O-N 2.91Å; L155-S157 VanDerWaalsContact O-N 3.09Å; L155-V158 HydrophobicContact CD2-CG2 3.94Å; L155-V158 WeakPolarHBondContact O-CG2 3.13Å; L155-V158 PolarHBondContact O-N 3.08Å; L155-R580 HydrophobicContact CD1-CG 3.56Å; L155-R580 HydrophobicContact CD2-CG 3.65Å; L155-R580 HydrophobicContact CG-CG 4.19Å; L155-L584 HydrophobicContact CD1-CB 4.13Å; L155-L584 HydrophobicContact CD1-CD1 4.17Å; L155-L584 HydrophobicContact CD1-CD2 3.92Å; L155-L584 HydrophobicContact CD1-CG 4.31Å; L155-L584 HydrophobicContact CG-CD1 4.45Å
156	T	39.6	Very low	37	Very low	55 Å²	55	65.9 Å²	65.9	34%	0.337	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	1.8	163.9	43.2	0	0	0	0	112.2	R56 D152 T153	R56-T156 PolarHBondContact NH1-OG1 2.91Å; D152-T156 PolarHBondContact O-N 3.03Å; T153-T156 PolarHBondContact O-OG1 2.85Å
157	S	38.3	Very low	36.1	Very low	43 Å²	43	69.7 Å²	69.7	30%	0.301	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	30	163	71.7	0	0	0	0	112.6	E154 L155 P159 R587	E154-S157 PolarHBondContact O-N 3.22Å; E154-S157 PolarHBondContact O-OG 3.33Å; L155-S157 PolarHBondContact O-N 2.91Å; L155-S157 VanDerWaalsContact O-N 3.09Å; S157-P159 VanDerWaalsContact C-N 3.26Å; S157-P159 WeakPolarHBondContact O-CD 3.5Å; S157-R587 PolarHBondContact OG-NH1 2.82Å; S157-R587 PolarHBondContact OG-NH2 3.23Å; S157-R587 VanDerWaalsContact OG-NH2 3.16Å
158	V	36.1	Very low	35.5	Very low	67 Å²	67	77.1 Å²	77.1	41%	0.406	42%	0.424	S	S	.	.			trans	-57.6	105.4	152.9	173.8	0	0	0	0	103.4	L155 D160	L155-V158 HydrophobicContact CD2-CG2 3.94Å; L155-V158 WeakPolarHBondContact O-CG2 3.13Å; L155-V158 PolarHBondContact O-N 3.08Å; V158-D160 PolarHBondContact O-N 3.33Å; V158-D160 VanDerWaalsContact O-N 3.1Å
159	P	34.7	Very low	34.8	Very low	53 Å²	53	76 Å²	76	34%	0.344	43%	0.427	S	S	.	.			trans	-66.1	121.7	-176.9	-8.9	26.3	0	0	0	104.7	S157 L161 S163	S157-P159 VanDerWaalsContact C-N 3.26Å; S157-P159 WeakPolarHBondContact O-CD 3.5Å; P159-L161 PolarHBondContact O-N 3.37Å; P159-S163 WeakPolarHBondContact CA-OG 3.26Å; P159-S163 VanDerWaalsContact CB-OG 3.25Å; P159-S163 WeakPolarHBondContact CB-OG 3.13Å
160	D	35.2	Very low	34	Very low	70 Å²	70	79.6 Å²	79.6	37%	0.374	46%	0.463	S	S	.	.			trans	-41.5	138	152.8	-83.4	-21.6	0	0	0	106.8	W132 V158 E162 S163	W132-D160 PolarHBondContact NE1-OD2 3.44Å; V158-D160 PolarHBondContact O-N 3.33Å; V158-D160 VanDerWaalsContact O-N 3.1Å; D160-E162 PolarHBondContact O-N 3.02Å; D160-S163 PolarHBondContact O-N 3.08Å; D160-S163 PolarHBondContact O-OG 2.91Å
161	L	32.3	Very low	33.2	Very low	87 Å²	87	81.5 Å²	81.5	46%	0.455	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-20.1	-179.8	-168.3	65.4	0	0	0	113.2	P159 L652 V695 T699	P159-L161 PolarHBondContact O-N 3.37Å; L161-L652 HydrophobicContact CD1-CD1 3.37Å; L161-V695 HydrophobicContact CD1-CG1 4.1Å; L161-T699 HydrophobicContact CD1-CG2 4.42Å; L161-T699 HydrophobicContact CG-CG2 4.18Å
162	E	30.7	Very low	32.6	Very low	156 Å²	156	84.8 Å²	84.8	73%	0.729	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.4	-178.4	-52.1	-163.3	161.1	0	0	115.7	D160 Y164	D160-E162 PolarHBondContact O-N 3.02Å; E162-Y164 PolarHBondContact O-N 3.23Å
163	S	26.4	Very low	32.6	Very low	64 Å²	64	90 Å²	90	45%	0.448	54%	0.539	S	S	.	.			trans	-98.1	19.6	-167.9	56.8	0	0	0	0	115.6	P159 D160 S165	P159-S163 WeakPolarHBondContact CA-OG 3.26Å; P159-S163 VanDerWaalsContact CB-OG 3.25Å; P159-S163 WeakPolarHBondContact CB-OG 3.13Å; D160-S163 PolarHBondContact O-N 3.08Å; D160-S163 PolarHBondContact O-OG 2.91Å; S163-S165 PolarHBondContact O-N 3.48Å
164	Y	30	Very low	32.6	Very low	105 Å²	105	95.3 Å²	95.3	41%	0.412	56%	0.561	S	S	.	*			trans	-74.9	61.1	160.7	-73.4	-83.2	0	0	0	110.9	E162 A653	E162-Y164 PolarHBondContact O-N 3.23Å; Y164-A653 HydrophobicContact CE1-CB 4.22Å
165	S	26.5	Very low	32.9	Very low	99 Å²	99	94 Å²	94	69%	0.692	56%	0.56	S	S	*	*			trans	-85.7	114.1	166.3	64.2	0	0	0	0	109.2	S163 S167	S163-S165 PolarHBondContact O-N 3.48Å; S165-S167 PolarHBondContact O-N 2.99Å
166	H	29.6	Very low	33.6	Very low	146 Å²	146	97.8 Å²	97.8	68%	0.676	58%	0.579	S	S	*	*			trans	-55.4	94.4	176.4	-64.5	-70	0	0	0	112.6	E168	H166-E168 PolarHBondContact O-N 3.32Å
167	S	25.5	Very low	34.8	Very low	101 Å²	101	103.1 Å²	103.1	71%	0.706	60%	0.6	S	S	*	*			trans	-86.5	94.4	160.7	60.5	0	0	0	0	108.8	S165 S169	S165-S167 PolarHBondContact O-N 2.99Å; S167-S169 PolarHBondContact O-N 3.27Å
168	E	27.6	Very low	36.7	Very low	190 Å²	190	102.3 Å²	102.3	89%	0.888	59%	0.592	S	S	*	*			trans	-71.3	26.6	169.1	-72.2	-165.4	146.9	0	0	113.2	H166	H166-E168 PolarHBondContact O-N 3.32Å
169	S	28.3	Very low	38.9	Very low	104 Å²	104	102.4 Å²	102.4	73%	0.727	59%	0.593	S	S	*	*	S	Bend	trans	-110.8	109.9	180	-64.8	0	0	0	0	110.1	S167 S171	S167-S169 PolarHBondContact O-N 3.27Å; S169-S171 PolarHBondContact O-N 3.2Å
170	G	24.6	Very low	41.2	Very low	84 Å²	84	105.7 Å²	105.7	87%	0.866	60%	0.598	S	S	*	*			trans	-54.2	125.6	-174.6	0	0	0	0	0	114.4
171	S	29.2	Very low	43.3	Very low	116 Å²	116	103.7 Å²	103.7	81%	0.811	59%	0.588	S	S	*	*			trans	-159.3	106.7	139.6	60.1	0	0	0	0	109.9	S169 M173	S169-S171 PolarHBondContact O-N 3.2Å; S171-M173 PolarHBondContact O-N 3.3Å
172	G	29.1	Very low	45.9	Very low	74 Å²	74	99.7 Å²	99.7	76%	0.763	57%	0.567	S	S	*	*			trans	75.3	16.4	135.8	0	0	0	0	0	121.8	Q174	G172-Q174 PolarHBondContact O-N 3.3Å
173	M	39.2	Very low	48.5	Very low	125 Å²	125	95.7 Å²	95.7	62%	0.616	55%	0.55	S	S	*	.			trans	-72.1	86	156.4	-80.6	-164.9	81.9	0	0	107.8	S171 T175	S171-M173 PolarHBondContact O-N 3.3Å; M173-T175 PolarHBondContact O-N 3.3Å
174	Q	41.2	Very low	51.2	Low	148 Å²	148	94.4 Å²	94.4	69%	0.692	54%	0.538	S	S	*	.			trans	-63.9	90.9	166.2	-70.9	175.9	-7.8	0	0	106.7	G172 M176	G172-Q174 PolarHBondContact O-N 3.3Å; Q174-M176 HydrophobicContact CB-CE 3.89Å; Q174-M176 HydrophobicContact CB-CG 4.22Å; Q174-M176 HydrophobicContact CG-CE 4.27Å; Q174-M176 PolarHBondContact O-N 3.39Å
175	T	45.9	Very low	53.9	Low	74 Å²	74	89.4 Å²	89.4	45%	0.454	52%	0.518	S	S	.	.			trans	-63.1	89.9	165	46.5	0	0	0	0	106.7	M173 Q177	M173-T175 PolarHBondContact O-N 3.3Å; T175-Q177 PolarHBondContact O-N 3.05Å
176	M	55.8	Low	56.7	Low	93 Å²	93	84.8 Å²	84.8	46%	0.458	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-75.8	124.1	-177.8	-77.4	-74	178.3	0	0	107.9	Q174 K588	Q174-M176 HydrophobicContact CB-CE 3.89Å; Q174-M176 HydrophobicContact CB-CG 4.22Å; Q174-M176 HydrophobicContact CG-CE 4.27Å; Q174-M176 PolarHBondContact O-N 3.39Å; M176-K588 HydrophobicContact CB-CG 4.35Å
177	Q	65.5	Low	59.5	Low	166 Å²	166	81.3 Å²	81.3	78%	0.776	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-53.2	142.7	167.5	-69.3	-180	-19.9	0	0	109.8	T175 T179	T175-Q177 PolarHBondContact O-N 3.05Å; Q177-T179 PolarHBondContact O-N 2.92Å
178	L	77.9	Confident	62.2	Low	26 Å²	26	78.4 Å²	78.4	14%	0.136	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-49.8	126.2	175.1	-77.4	151.4	0	0	0	110	E182 F589 D593 K596	L178-E182 HydrophobicContact CB-CB 4.46Å; L178-E182 HydrophobicContact CD2-CB 3.68Å; L178-F589 HydrophobicContact CD1-CB 4.44Å; L178-F589 HydrophobicContact CD1-CD2 4.37Å; L178-F589 HydrophobicContact CD1-CG 4.37Å; L178-F589 HydrophobicContact CD2-CB 4.41Å; L178-F589 HydrophobicContact CD2-CD1 3.78Å; L178-F589 HydrophobicContact CD2-CD2 4.4Å; L178-F589 HydrophobicContact CD2-CE1 4.09Å; L178-F589 HydrophobicContact CD2-CG 3.95Å; L178-F589 HydrophobicContact CG-CB 4.12Å; L178-F589 HydrophobicContact CG-CD1 4.4Å; L178-F589 HydrophobicContact CG-CG 4.14Å; L178-D593 HydrophobicContact CD1-CB 4.16Å; L178-D593 WeakPolarHBondContact CD1-OD2 3.12Å; L178-K596 HydrophobicContact CD1-CD 3.56Å
179	T	82.6	Confident	65	Low	70 Å²	70	69.3 Å²	69.3	43%	0.429	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-64.3	160.9	172.6	62.4	0	0	0	0	110.1	Q177 D181 E182 L183	Q177-T179 PolarHBondContact O-N 2.92Å; T179-D181 VanDerWaalsContact C-N 3.26Å; T179-D181 PolarHBondContact O-N 2.96Å; T179-E182 WeakPolarHBondContact CB-OE2 3.49Å; T179-E182 WeakPolarHBondContact CG2-OE2 3.3Å; T179-E182 PolarHBondContact N-OE2 3.02Å; T179-E182 PolarHBondContact O-N 3.16Å; T179-E182 WeakPolarHBondContact OG1-CB 3.2Å; T179-E182 WeakPolarHBondContact OG1-CG 3.25Å; T179-E182 PolarHBondContact OG1-N 3.25Å; T179-E182 PolarHBondContact OG1-OE2 2.93Å; T179-L183 PolarHBondContact O-N 2.85Å
180	R	81.2	Confident	67.7	Low	121 Å²	121	67 Å²	67	46%	0.457	39%	0.385	S	S	.	.	H	α-helix	trans	-53.7	-43.8	179.4	177.8	178.2	165.4	159.7	1.8	112.5	L183 L184 E227	R180-L183 PolarHBondContact O-N 3.24Å; R180-L184 HydrophobicContact CG-CD1 4.39Å; R180-L184 VanDerWaalsContact O-CG 3.3Å; R180-L184 WeakPolarHBondContact O-CG 3.47Å; R180-L184 PolarHBondContact O-N 2.72Å; R180-L184 VanDerWaalsContact O-N 3.07Å; R180-E227 IonicContact CZ-OE2 4Å; R180-E227 IonicContact NH1-OE2 3.76Å; R180-E227 PolarHBondContact NH1-OE2 3.26Å; R180-E227 IonicContact NH2-OE2 2.95Å; R180-E227 PolarHBondContact NH2-OE2 3.3Å
181	D	80.4	Confident	70.4	Confident	29 Å²	29	68.2 Å²	68.2	16%	0.155	36%	0.364	C	S	.	.	H	α-helix	trans	-71.7	-38	-177.1	-63.8	-17.1	0	0	0	110.7	T179 L184 Y185 K228	T179-D181 VanDerWaalsContact C-N 3.26Å; T179-D181 PolarHBondContact O-N 2.96Å; D181-L184 PolarHBondContact O-N 3.16Å; D181-Y185 WeakPolarHBondContact O-CD2 3.48Å; D181-Y185 PolarHBondContact O-N 2.64Å; D181-Y185 VanDerWaalsContact O-N 3.09Å; D181-K228 IonicContact OD1-NZ 2.77Å; D181-K228 PolarHBondContact OD1-NZ 3.38Å; D181-K228 VanDerWaalsContact OD1-NZ 3.16Å; D181-K228 IonicContact OD2-NZ 3.06Å; D181-K228 PolarHBondContact OD2-NZ 3.46Å
182	E	86.1	Confident	73	Confident	3 Å²	3	62.8 Å²	62.8	1%	0.014	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-43.6	172.6	-70.1	167.1	145.3	0	0	112.4	L178 T179 L184 Y185 A186 C537 Y585 K588	L178-E182 HydrophobicContact CB-CB 4.46Å; L178-E182 HydrophobicContact CD2-CB 3.68Å; T179-E182 WeakPolarHBondContact CB-OE2 3.49Å; T179-E182 WeakPolarHBondContact CG2-OE2 3.3Å; T179-E182 PolarHBondContact N-OE2 3.02Å; T179-E182 PolarHBondContact O-N 3.16Å; T179-E182 WeakPolarHBondContact OG1-CB 3.2Å; T179-E182 WeakPolarHBondContact OG1-CG 3.25Å; T179-E182 PolarHBondContact OG1-N 3.25Å; T179-E182 PolarHBondContact OG1-OE2 2.93Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 2.67Å; E182-Y185 PolarHBondContact O-N 2.96Å; E182-A186 WeakPolarHBondContact O-CB 3.23Å; E182-A186 PolarHBondContact O-N 2.97Å; E182-C537 HydrophobicContact CG-CB 3.56Å; E182-Y585 HydrophobicContact CG-CE2 4.33Å; E182-Y585 WeakPolarHBondContact CG-OH 3.22Å; E182-K588 IonicContact OE1-NZ 2.86Å; E182-K588 PolarHBondContact OE1-NZ 2.71Å; E182-K588 IonicContact OE2-NZ 3.21Å; E182-K588 PolarHBondContact OE2-NZ 2.65Å
183	L	85.7	Confident	75.6	Confident	71 Å²	71	59.3 Å²	59.3	37%	0.372	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-39.1	177.5	-176.3	65.3	0	0	0	111.6	T179 R180 A186 N187	T179-L183 PolarHBondContact O-N 2.85Å; R180-L183 PolarHBondContact O-N 3.24Å; L183-A186 PolarHBondContact O-N 2.89Å; L183-N187 WeakPolarHBondContact O-CB 3.31Å; L183-N187 PolarHBondContact O-N 3.3Å; L183-N187 PolarHBondContact O-ND2 3.15Å; L183-N187 PolarHBondContact O-OD1 3.38Å
184	L	82.6	Confident	77.6	Confident	38 Å²	38	55.8 Å²	55.8	20%	0.199	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-46.2	175.8	-73.8	172.3	0	0	0	111.4	R180 D181 E182 N187 Q188 A220 V224	R180-L184 HydrophobicContact CG-CD1 4.39Å; R180-L184 VanDerWaalsContact O-CG 3.3Å; R180-L184 WeakPolarHBondContact O-CG 3.47Å; R180-L184 PolarHBondContact O-N 2.72Å; R180-L184 VanDerWaalsContact O-N 3.07Å; D181-L184 PolarHBondContact O-N 3.16Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 2.67Å; L184-N187 PolarHBondContact O-N 2.93Å; L184-Q188 WeakPolarHBondContact O-CG 3.38Å; L184-Q188 PolarHBondContact O-N 3.19Å; L184-A220 HydrophobicContact CB-CB 4.18Å; L184-V224 HydrophobicContact CD1-CG2 3.3Å
185	Y	87.4	Confident	79.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-43.8	176	-74.5	-59.3	0	0	0	112.7	D181 E182 N187 Q188 L189 M217 A220 Q221 W245 C537 H538 H541	D181-Y185 WeakPolarHBondContact O-CD2 3.48Å; D181-Y185 PolarHBondContact O-N 2.64Å; D181-Y185 VanDerWaalsContact O-N 3.09Å; E182-Y185 PolarHBondContact O-N 2.96Å; Y185-N187 VanDerWaalsContact C-N 3.3Å; Y185-N187 PolarHBondContact O-N 2.62Å; Y185-Q188 PolarHBondContact O-N 3.17Å; Y185-Q188 VanDerWaalsContact O-N 3.09Å; Y185-L189 PolarHBondContact O-N 3.4Å; Y185-M217 HydrophobicContact CD1-SD 3.48Å; Y185-M217 WeakPolarHBondContact CD1-SD 3.28Å; Y185-M217 HydrophobicContact CE1-CB 4.4Å; Y185-M217 HydrophobicContact CE1-SD 4.22Å; Y185-M217 HydrophobicContact CG-SD 4.39Å; Y185-A220 HydrophobicContact CD1-CB 4.26Å; Y185-A220 HydrophobicContact CE1-CB 4.36Å; Y185-Q221 PolarHBondContact OH-NE2 3.31Å; Y185-W245 AromaticContact CE1-CZ2 3.65Å; Y185-W245 HydrophobicContact CE1-CZ2 3.65Å; Y185-W245 AromaticContact CZ-CZ2 3.98Å; Y185-W245 PolarHBondContact OH-NE1 2.82Å; Y185-C537 HydrophobicContact CD2-CB 4.38Å; Y185-H538 AromaticContact CE2-CE1 3.57Å; Y185-H538 AromaticContact CE2-ND1 3.28Å; Y185-H538 VanDerWaalsContact CE2-ND1 3.28Å; Y185-H538 WeakPolarHBondContact CE2-ND1 3.33Å; Y185-H538 AromaticContact CZ-CE1 3.93Å; Y185-H538 AromaticContact CZ-ND1 3.41Å; Y185-H538 PolarHBondContact OH-CE1 3.17Å; Y185-H538 PolarHBondContact OH-ND1 2.98Å; Y185-H541 WeakPolarHBondContact CB-CE1 3.47Å; Y185-H541 WeakPolarHBondContact CB-NE2 3.2Å; Y185-H541 HydrophobicContact CD1-CB 4.15Å; Y185-H541 AromaticContact CD1-CG 3.84Å; Y185-H541 AromaticContact CD2-ND1 3.74Å; Y185-H541 HydrophobicContact CE1-CB 4.32Å; Y185-H541 HydrophobicContact CG-CB 4.48Å; Y185-H541 AromaticContact CG-CE1 3.81Å; Y185-H541 AromaticContact CG-CG 3.77Å; Y185-H541 AromaticContact CG-ND1 3.52Å
186	A	86.1	Confident	80.6	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-44.7	175.6	0	0	0	0	0	110.9	E182 L183 Q188 L189 D190 K596 M599	E182-A186 WeakPolarHBondContact O-CB 3.23Å; E182-A186 PolarHBondContact O-N 2.97Å; L183-A186 PolarHBondContact O-N 2.89Å; A186-Q188 VanDerWaalsContact C-N 3.31Å; A186-Q188 PolarHBondContact O-N 3.32Å; A186-L189 WeakPolarHBondContact O-CB 3.43Å; A186-L189 PolarHBondContact O-N 3.37Å; A186-D190 WeakPolarHBondContact O-CB 3.5Å; A186-D190 PolarHBondContact O-N 3.47Å; A186-K596 HydrophobicContact CB-CD 4.16Å; A186-M599 VanDerWaalsContact O-CE 3.3Å; A186-M599 WeakPolarHBondContact O-CE 3.23Å
187	N	86.9	Confident	81.6	Confident	74 Å²	74	47.7 Å²	47.7	40%	0.396	23%	0.229	S	C	.	.	H	α-helix	trans	-64.7	-33.4	176.9	-68	-18	0	0	0	112.8	L183 L184 Y185 D190 Y191	L183-N187 WeakPolarHBondContact O-CB 3.31Å; L183-N187 PolarHBondContact O-N 3.3Å; L183-N187 PolarHBondContact O-ND2 3.15Å; L183-N187 PolarHBondContact O-OD1 3.38Å; L184-N187 PolarHBondContact O-N 2.93Å; Y185-N187 VanDerWaalsContact C-N 3.3Å; Y185-N187 PolarHBondContact O-N 2.62Å; N187-D190 WeakPolarHBondContact O-CB 3.44Å; N187-D190 PolarHBondContact O-N 3.18Å; N187-Y191 PolarHBondContact O-N 3.21Å
188	Q	83.2	Confident	81.9	Confident	39 Å²	39	44.3 Å²	44.3	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-71.4	-40	173.8	-67.8	-50.4	-49.7	0	0	112	L184 Y185 A186 D190 Y191 Y192 Y216 M217 A220	L184-Q188 WeakPolarHBondContact O-CG 3.38Å; L184-Q188 PolarHBondContact O-N 3.19Å; Y185-Q188 PolarHBondContact O-N 3.17Å; Y185-Q188 VanDerWaalsContact O-N 3.09Å; A186-Q188 VanDerWaalsContact C-N 3.31Å; A186-Q188 PolarHBondContact O-N 3.32Å; Q188-D190 VanDerWaalsContact C-N 3.27Å; Q188-D190 PolarHBondContact O-N 3.05Å; Q188-Y191 PolarHBondContact O-N 3.24Å; Q188-Y192 WeakPolarHBondContact O-CB 3.17Å; Q188-Y192 PolarHBondContact O-N 2.93Å; Q188-Y216 VanDerWaalsContact CG-O 3.27Å; Q188-Y216 WeakPolarHBondContact CG-O 3.34Å; Q188-Y216 PolarHBondContact OE1-O 3.05Å; Q188-M217 HydrophobicContact CB-CE 4.48Å; Q188-M217 HydrophobicContact CB-SD 4.14Å; Q188-A220 HydrophobicContact CG-CB 3.88Å
189	L	85.9	Confident	81.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-40.9	171.8	-174.6	61.2	0	0	0	110.6	Y185 A186 Y192 L193 L213 M217 L544 M599 Y600 M603	Y185-L189 PolarHBondContact O-N 3.4Å; A186-L189 WeakPolarHBondContact O-CB 3.43Å; A186-L189 PolarHBondContact O-N 3.37Å; L189-Y192 HydrophobicContact CD1-CD1 4.48Å; L189-Y192 PolarHBondContact O-N 3.39Å; L189-L193 HydrophobicContact CD1-CD1 4.29Å; L189-L193 HydrophobicContact CD1-CG 4.24Å; L189-L193 HydrophobicContact CG-CD1 3.98Å; L189-L193 HydrophobicContact CG-CG 4.34Å; L189-L193 WeakPolarHBondContact O-CB 3.27Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 3.44Å; L189-L213 HydrophobicContact CD1-CD1 3.94Å; L189-M217 HydrophobicContact CB-CE 3.85Å; L189-M217 HydrophobicContact CD1-CE 4.24Å; L189-L544 HydrophobicContact CD1-CD1 4.43Å; L189-L544 HydrophobicContact CD2-CD1 4.35Å; L189-M599 HydrophobicContact CB-CE 3.9Å; L189-M599 HydrophobicContact CD2-CB 4.32Å; L189-M599 HydrophobicContact CD2-CE 4.13Å; L189-M599 HydrophobicContact CG-CE 3.92Å; L189-Y600 HydrophobicContact CD2-CD1 3.69Å; L189-Y600 HydrophobicContact CD2-CD2 4.44Å; L189-Y600 HydrophobicContact CD2-CE1 3.54Å; L189-Y600 HydrophobicContact CD2-CE2 4.31Å; L189-Y600 HydrophobicContact CD2-CG 4.14Å; L189-M603 HydrophobicContact CD1-CG 4.31Å; L189-M603 HydrophobicContact CD1-SD 4.22Å
190	D	85.5	Confident	79.8	Confident	55 Å²	55	47.8 Å²	47.8	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-47.6	178.5	-172	49.5	0	0	0	111.7	A186 N187 Q188 L193 T194 M599 R677	A186-D190 WeakPolarHBondContact O-CB 3.5Å; A186-D190 PolarHBondContact O-N 3.47Å; N187-D190 WeakPolarHBondContact O-CB 3.44Å; N187-D190 PolarHBondContact O-N 3.18Å; Q188-D190 VanDerWaalsContact C-N 3.27Å; Q188-D190 PolarHBondContact O-N 3.05Å; D190-L193 PolarHBondContact O-N 2.9Å; D190-T194 WeakPolarHBondContact O-CB 3.32Å; D190-T194 PolarHBondContact O-N 3.48Å; D190-T194 PolarHBondContact O-OG1 3.49Å; D190-M599 HydrophobicContact CB-CE 3.56Å; D190-M599 HydrophobicContact CB-SD 4.06Å; D190-R677 PolarHBondContact O-NH2 2.81Å; D190-R677 IonicContact OD1-CZ 3.94Å; D190-R677 IonicContact OD1-NH1 2.95Å; D190-R677 PolarHBondContact OD1-NH1 3.46Å; D190-R677 IonicContact OD1-NH2 3.87Å; D190-R677 PolarHBondContact OD1-NH2 3.19Å
191	Y	82	Confident	78.4	Confident	110 Å²	110	48.2 Å²	48.2	43%	0.431	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-46	176.1	-173.7	-83.1	0	0	0	111.3	N187 Q188 T194 M195 Y216	N187-Y191 PolarHBondContact O-N 3.21Å; Q188-Y191 PolarHBondContact O-N 3.24Å; Y191-T194 PolarHBondContact O-N 2.82Å; Y191-M195 HydrophobicContact CD1-CG 4.01Å; Y191-M195 HydrophobicContact CE1-CG 3.57Å; Y191-M195 HydrophobicContact CE1-SD 4.39Å; Y191-M195 WeakPolarHBondContact O-CG 3.42Å; Y191-M195 PolarHBondContact O-N 3.33Å; Y191-Y216 AromaticContact CD1-CD1 3.56Å; Y191-Y216 HydrophobicContact CD1-CD1 3.56Å; Y191-Y216 AromaticContact CD1-CE1 3.09Å; Y191-Y216 HydrophobicContact CD1-CE1 3.09Å; Y191-Y216 HydrophobicContact CD1-CG 4.48Å; Y191-Y216 AromaticContact CD1-CZ 3.67Å; Y191-Y216 HydrophobicContact CE1-CD1 4.03Å; Y191-Y216 AromaticContact CE1-CE1 3.1Å; Y191-Y216 HydrophobicContact CE1-CE1 3.1Å; Y191-Y216 AromaticContact CE1-CZ 3.49Å; Y191-Y216 VanDerWaalsContact CE1-CZ 3.49Å; Y191-Y216 WeakPolarHBondContact CE1-OH 3.49Å; Y191-Y216 HydrophobicContact CG-CD1 4.47Å; Y191-Y216 HydrophobicContact CG-CE1 4.28Å
192	Y	82.1	Confident	76.9	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-47.9	178	170.8	-92.6	0	0	0	111.9	Q188 L189 M195 R196 F202 L213 Y216 D548	Q188-Y192 WeakPolarHBondContact O-CB 3.17Å; Q188-Y192 PolarHBondContact O-N 2.93Å; L189-Y192 HydrophobicContact CD1-CD1 4.48Å; L189-Y192 PolarHBondContact O-N 3.39Å; Y192-M195 PolarHBondContact O-N 3.02Å; Y192-R196 WeakPolarHBondContact O-CB 3.25Å; Y192-R196 PolarHBondContact O-N 3.48Å; Y192-R196 PolarHBondContact OH-NH1 2.84Å; Y192-F202 HydrophobicContact CE2-CZ 4.27Å; Y192-L213 HydrophobicContact CD1-CD1 3.78Å; Y192-L213 HydrophobicContact CD2-CB 4.29Å; Y192-L213 HydrophobicContact CD2-CD1 4.12Å; Y192-L213 HydrophobicContact CE1-CD1 4.3Å; Y192-L213 HydrophobicContact CE2-CB 4.12Å; Y192-L213 HydrophobicContact CG-CD1 3.68Å; Y192-Y216 AromaticContact CD2-CD2 3.95Å; Y192-Y216 HydrophobicContact CD2-CD2 3.95Å; Y192-Y216 HydrophobicContact CD2-CE2 4.19Å; Y192-D548 PolarHBondContact OH-OD1 3.26Å
193	L	83.6	Confident	75.2	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-42.6	179	-72.9	175.7	0	0	0	111.8	L189 D190 M195 R196 L197 M599 Y602 M603 F678	L189-L193 HydrophobicContact CD1-CD1 4.29Å; L189-L193 HydrophobicContact CD1-CG 4.24Å; L189-L193 HydrophobicContact CG-CD1 3.98Å; L189-L193 HydrophobicContact CG-CG 4.34Å; L189-L193 WeakPolarHBondContact O-CB 3.27Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 3.44Å; D190-L193 PolarHBondContact O-N 2.9Å; L193-M195 VanDerWaalsContact C-N 3.28Å; L193-M195 PolarHBondContact O-N 2.9Å; L193-R196 PolarHBondContact O-N 3.46Å; L193-L197 HydrophobicContact CB-CD1 4.46Å; L193-L197 VanDerWaalsContact O-CB 3.27Å; L193-L197 WeakPolarHBondContact O-CB 3.35Å; L193-L197 WeakPolarHBondContact O-CD1 3.41Å; L193-L197 WeakPolarHBondContact O-CG 3.37Å; L193-L197 PolarHBondContact O-N 3.18Å; L193-M599 HydrophobicContact CD1-CB 3.61Å; L193-M599 HydrophobicContact CD1-CE 4.36Å; L193-M599 HydrophobicContact CD1-CG 3.97Å; L193-Y602 HydrophobicContact CD2-CD1 3.75Å; L193-Y602 HydrophobicContact CD2-CE1 4.12Å; L193-M603 HydrophobicContact CD2-SD 3.84Å; L193-F678 HydrophobicContact CD1-CE1 4.27Å
194	T	82.1	Confident	73.6	Confident	52 Å²	52	52.6 Å²	52.6	32%	0.319	28%	0.282	S	S	.	.	H	α-helix	trans	-56.3	-46	174	-60	0	0	0	0	110.7	D190 Y191 L197 T198 R677	D190-T194 WeakPolarHBondContact O-CB 3.32Å; D190-T194 PolarHBondContact O-N 3.48Å; D190-T194 PolarHBondContact O-OG1 3.49Å; Y191-T194 PolarHBondContact O-N 2.82Å; T194-L197 PolarHBondContact O-N 3.33Å; T194-T198 HydrophobicContact CG2-CG2 4.28Å; T194-T198 WeakPolarHBondContact O-CB 3.32Å; T194-T198 VanDerWaalsContact O-CG2 3.24Å; T194-T198 WeakPolarHBondContact O-CG2 3.32Å; T194-T198 PolarHBondContact O-N 3.4Å; T194-T198 PolarHBondContact O-OG1 3.47Å; T194-R677 PolarHBondContact OG1-NH2 3.38Å
195	M	74.5	Confident	72	Confident	30 Å²	30	55.6 Å²	55.6	15%	0.148	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-43.3	178.1	-72.5	-55.3	-44.5	0	0	112.6	Y191 Y192 L193 T198 S199 R211	Y191-M195 HydrophobicContact CD1-CG 4.01Å; Y191-M195 HydrophobicContact CE1-CG 3.57Å; Y191-M195 HydrophobicContact CE1-SD 4.39Å; Y191-M195 WeakPolarHBondContact O-CG 3.42Å; Y191-M195 PolarHBondContact O-N 3.33Å; Y192-M195 PolarHBondContact O-N 3.02Å; L193-M195 VanDerWaalsContact C-N 3.28Å; L193-M195 PolarHBondContact O-N 2.9Å; M195-T198 PolarHBondContact O-OG1 2.86Å; M195-S199 WeakPolarHBondContact CE-OG 3.5Å; M195-S199 VanDerWaalsContact O-CB 3.22Å; M195-S199 WeakPolarHBondContact O-CB 3.39Å; M195-S199 PolarHBondContact O-N 2.79Å; M195-S199 VanDerWaalsContact O-N 3.09Å; M195-S199 PolarHBondContact O-OG 2.93Å; M195-R211 VanDerWaalsContact CE-NH1 3.25Å
196	R	76.4	Confident	70	Confident	76 Å²	76	59.9 Å²	59.9	29%	0.287	32%	0.317	S	S	.	.	H	α-helix	trans	-67.8	-32.4	179.5	-174.7	171.3	178.3	169.4	-5.3	113	Y192 L193 F202 D548	Y192-R196 WeakPolarHBondContact O-CB 3.25Å; Y192-R196 PolarHBondContact O-N 3.48Å; Y192-R196 PolarHBondContact OH-NH1 2.84Å; L193-R196 PolarHBondContact O-N 3.46Å; R196-F202 HydrophobicContact CB-CE2 4.48Å; R196-D548 IonicContact NH1-OD1 2.64Å
197	L	76.3	Confident	68	Low	38 Å²	38	67 Å²	67	20%	0.199	36%	0.356	C	S	.	.	H	α-helix	trans	-83.4	-34.3	180	-69.6	166.2	0	0	0	112.7	L193 T194 Y602 R677 F678	L193-L197 HydrophobicContact CB-CD1 4.46Å; L193-L197 VanDerWaalsContact O-CB 3.27Å; L193-L197 WeakPolarHBondContact O-CB 3.35Å; L193-L197 WeakPolarHBondContact O-CD1 3.41Å; L193-L197 WeakPolarHBondContact O-CG 3.37Å; L193-L197 PolarHBondContact O-N 3.18Å; T194-L197 PolarHBondContact O-N 3.33Å; L197-Y602 HydrophobicContact CD2-CE1 4.12Å; L197-Y602 WeakPolarHBondContact CD2-OH 3.33Å; L197-R677 HydrophobicContact CD1-CG 4.14Å; L197-F678 HydrophobicContact CD1-CD1 3.94Å; L197-F678 HydrophobicContact CD1-CE1 4.2Å
198	T	70.5	Confident	66	Low	96 Å²	96	74.9 Å²	74.9	59%	0.589	38%	0.38	S	S	*	.	H	α-helix	trans	-86	-29.3	-177.7	54.8	0	0	0	0	114	T194 M195 T200	T194-T198 HydrophobicContact CG2-CG2 4.28Å; T194-T198 WeakPolarHBondContact O-CB 3.32Å; T194-T198 VanDerWaalsContact O-CG2 3.24Å; T194-T198 WeakPolarHBondContact O-CG2 3.32Å; T194-T198 PolarHBondContact O-N 3.4Å; T194-T198 PolarHBondContact O-OG1 3.47Å; M195-T198 PolarHBondContact O-OG1 2.86Å; T198-T200 PolarHBondContact O-N 3.14Å
199	S	61.1	Low	64.3	Low	31 Å²	31	76 Å²	76	22%	0.217	39%	0.389	C	S	.	.			trans	-87.3	110.2	-175.7	-55.9	0	0	0	0	110.8	M195 D201	M195-S199 WeakPolarHBondContact CE-OG 3.5Å; M195-S199 VanDerWaalsContact O-CB 3.22Å; M195-S199 WeakPolarHBondContact O-CB 3.39Å; M195-S199 PolarHBondContact O-N 2.79Å; M195-S199 VanDerWaalsContact O-N 3.09Å; M195-S199 PolarHBondContact O-OG 2.93Å; S199-D201 PolarHBondContact O-N 3.47Å
200	T	55.7	Low	62.6	Low	137 Å²	137	78.2 Å²	78.2	84%	0.84	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-33.3	167.7	49.9	0	0	0	0	111.6	T198	T198-T200 PolarHBondContact O-N 3.14Å
201	D	52.2	Low	61.1	Low	131 Å²	131	78 Å²	78	70%	0.701	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	58.7	178.3	-59	-24.5	0	0	0	110.3	S199 T203	S199-D201 PolarHBondContact O-N 3.47Å; D201-T203 PolarHBondContact O-N 2.96Å
202	F	49.5	Very low	60.1	Low	62 Å²	62	73.2 Å²	73.2	27%	0.272	38%	0.38	S	S	.	.			trans	-69.1	84.1	171.6	-166.5	-89.9	0	0	0	109.5	Y192 R196 R211	Y192-F202 HydrophobicContact CE2-CZ 4.27Å; R196-F202 HydrophobicContact CB-CE2 4.48Å; F202-R211 HydrophobicContact CE2-CB 4.27Å; F202-R211 HydrophobicContact CZ-CB 3.92Å; F202-R211 WeakPolarHBondContact CZ-O 3.43Å
203	T	49.6	Very low	59.5	Low	69 Å²	69	73.1 Å²	73.1	42%	0.423	38%	0.38	S	S	.	.			trans	-79.5	128.9	166.2	55.9	0	0	0	0	107.9	D201 I205	D201-T203 PolarHBondContact O-N 2.96Å; T203-I205 PolarHBondContact O-N 3.49Å; T203-I205 PolarHBondContact OG1-O 3.38Å
204	P	51.6	Low	59.1	Low	63 Å²	63	73.3 Å²	73.3	41%	0.409	38%	0.381	S	S	.	.	S	Bend	trans	-59.2	-15.5	179.5	21	-31.3	0	0	0	113.3	P210 R211	P204-P210 CarbonylContact O-C 3.47Å; P204-P210 WeakPolarHBondContact O-CA 3.45Å; P204-R211 PolarHBondContact O-N 3.48Å
205	I	49.4	Very low	58.2	Low	101 Å²	101	72.2 Å²	72.2	52%	0.518	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.2	179	-55.8	167.5	0	0	0	109.2	T203	T203-I205 PolarHBondContact O-N 3.49Å; T203-I205 PolarHBondContact OG1-O 3.38Å
206	Q	45.5	Very low	57.6	Low	90 Å²	90	71.2 Å²	71.2	42%	0.421	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.2	163.5	-158.1	174.7	19.5	0	0	108.9	R208 V209 R211	Q206-R208 VanDerWaalsContact C-N 3.31Å; Q206-R208 PolarHBondContact O-N 3.11Å; Q206-V209 PolarHBondContact O-N 3.25Å; Q206-R211 VanDerWaalsContact OE1-NH1 3.13Å
207	N	43.4	Very low	57.5	Low	152 Å²	152	67.6 Å²	67.6	81%	0.813	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	40.3	-178.5	-64.5	-8.9	0	0	0	114.7	V209	N207-V209 PolarHBondContact O-N 3.43Å; N207-V209 VanDerWaalsContact O-N 3.08Å
208	R	46.3	Very low	57.1	Low	239 Å²	239	66.3 Å²	66.3	90%	0.902	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	6.3	-178.4	-59.1	-179.4	175.1	-176.6	-2.2	115.8	Q206 P210	Q206-R208 VanDerWaalsContact C-N 3.31Å; Q206-R208 PolarHBondContact O-N 3.11Å; R208-P210 WeakPolarHBondContact O-CD 3.34Å
209	V	47.2	Very low	56.8	Low	62 Å²	62	66.8 Å²	66.8	38%	0.376	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.7	173.2	-176.1	0	0	0	0	108.1	Q206 N207 R211 T215	Q206-V209 PolarHBondContact O-N 3.25Å; N207-V209 PolarHBondContact O-N 3.43Å; N207-V209 VanDerWaalsContact O-N 3.08Å; V209-R211 PolarHBondContact O-N 3.35Å; V209-T215 HydrophobicContact CG1-CG2 4.09Å
210	P	50	Low	56.7	Low	47 Å²	47	65.3 Å²	65.3	31%	0.305	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	125.5	167.8	-28.1	37.6	0	0	0	110.5	P204 R208 D212 T215	P204-P210 CarbonylContact O-C 3.47Å; P204-P210 WeakPolarHBondContact O-CA 3.45Å; R208-P210 WeakPolarHBondContact O-CD 3.34Å; P210-D212 PolarHBondContact O-N 2.77Å; P210-T215 WeakPolarHBondContact O-CB 3.39Å; P210-T215 PolarHBondContact O-OG1 3.28Å
211	R	53.4	Low	56.8	Low	51 Å²	51	59.2 Å²	59.2	19%	0.192	29%	0.292	C	S	.	.			trans	-89.4	39.1	173.3	-75.1	-167.4	173	169.2	1.4	111.8	M195 F202 P204 Q206 V209 Y216	M195-R211 VanDerWaalsContact CE-NH1 3.25Å; F202-R211 HydrophobicContact CE2-CB 4.27Å; F202-R211 HydrophobicContact CZ-CB 3.92Å; F202-R211 WeakPolarHBondContact CZ-O 3.43Å; P204-R211 PolarHBondContact O-N 3.48Å; Q206-R211 VanDerWaalsContact OE1-NH1 3.13Å; V209-R211 PolarHBondContact O-N 3.35Å; R211-Y216 HydrophobicContact CB-CE2 4.42Å
212	D	61.6	Low	57.1	Low	8 Å²	8	56.7 Å²	56.7	4%	0.043	28%	0.278	C	S	.	.			trans	-84.3	155.2	-179	-52.1	-25.9	0	0	0	110.4	P210 L214 T215 Y216 R256	P210-D212 PolarHBondContact O-N 2.77Å; D212-L214 PolarHBondContact O-N 3.34Å; D212-L214 VanDerWaalsContact O-N 3.1Å; D212-T215 PolarHBondContact O-N 3.48Å; D212-Y216 VanDerWaalsContact O-CD2 3.3Å; D212-Y216 WeakPolarHBondContact O-CD2 3.45Å; D212-Y216 PolarHBondContact O-N 3.4Å; D212-R256 VanDerWaalsContact CG-NH1 3.3Å; D212-R256 IonicContact OD1-CZ 3Å; D212-R256 VanDerWaalsContact OD1-CZ 3.3Å; D212-R256 IonicContact OD1-NH1 3.38Å; D212-R256 PolarHBondContact OD1-NH1 3.32Å; D212-R256 IonicContact OD1-NH2 2.77Å; D212-R256 PolarHBondContact OD1-NH2 2.84Å; D212-R256 IonicContact OD2-CZ 3.98Å; D212-R256 IonicContact OD2-NE 2.92Å; D212-R256 IonicContact OD2-NH1 3.28Å; D212-R256 PolarHBondContact OD2-NH1 3.46Å; D212-R256 IonicContact OD2-NH2 2.93Å; D212-R256 PolarHBondContact OD2-NH2 3.13Å
213	L	68.7	Low	57.3	Low	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-52.4	-37.7	175.9	-172.6	62.5	0	0	0	111.1	L189 Y192 T215 Y216 M217 L544 V545 D548 M603	L189-L213 HydrophobicContact CD1-CD1 3.94Å; Y192-L213 HydrophobicContact CD1-CD1 3.78Å; Y192-L213 HydrophobicContact CD2-CB 4.29Å; Y192-L213 HydrophobicContact CD2-CD1 4.12Å; Y192-L213 HydrophobicContact CE1-CD1 4.3Å; Y192-L213 HydrophobicContact CE2-CB 4.12Å; Y192-L213 HydrophobicContact CG-CD1 3.68Å; L213-T215 VanDerWaalsContact C-N 3.33Å; L213-T215 PolarHBondContact O-N 3.11Å; L213-Y216 PolarHBondContact O-N 3.25Å; L213-M217 HydrophobicContact CD1-CE 3.4Å; L213-M217 VanDerWaalsContact CD1-CE 3.4Å; L213-M217 HydrophobicContact CD1-CG 4.27Å; L213-M217 HydrophobicContact CD2-CE 4.42Å; L213-M217 HydrophobicContact CG-CE 3.96Å; L213-M217 HydrophobicContact CG-CG 4.03Å; L213-M217 WeakPolarHBondContact O-CB 3.13Å; L213-M217 WeakPolarHBondContact O-CG 3.33Å; L213-M217 PolarHBondContact O-N 3.36Å; L213-L544 HydrophobicContact CD2-CB 3.52Å; L213-V545 HydrophobicContact CB-CG2 4.14Å; L213-V545 HydrophobicContact CD2-CG2 4.04Å; L213-V545 HydrophobicContact CG-CG2 3.89Å; L213-D548 HydrophobicContact CB-CB 4.19Å; L213-D548 PolarHBondContact N-OD2 3.24Å; L213-M603 HydrophobicContact CD2-CE 4.32Å
214	L	76	Confident	57.5	Low	4 Å²	4	53.2 Å²	53.2	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-56.7	-41.7	176.9	179.3	56.8	0	0	0	113.6	D212 Y216 M217 S218 W245 M248 R249 V545	D212-L214 PolarHBondContact O-N 3.34Å; D212-L214 VanDerWaalsContact O-N 3.1Å; L214-Y216 VanDerWaalsContact C-N 3.3Å; L214-Y216 PolarHBondContact O-N 3.2Å; L214-M217 PolarHBondContact O-N 3.32Å; L214-S218 WeakPolarHBondContact O-CB 3.5Å; L214-S218 PolarHBondContact O-N 3.15Å; L214-S218 PolarHBondContact O-OG 3.22Å; L214-W245 HydrophobicContact CD1-CE3 3.47Å; L214-W245 VanDerWaalsContact CD1-CE3 3.47Å; L214-W245 HydrophobicContact CD1-CZ3 3.48Å; L214-W245 VanDerWaalsContact CD1-CZ3 3.48Å; L214-M248 HydrophobicContact CD1-CB 3.97Å; L214-M248 WeakPolarHBondContact CD2-O 3.31Å; L214-R249 HydrophobicContact CD1-CG 4.26Å; L214-R249 HydrophobicContact CD2-CG 4.21Å; L214-R249 HydrophobicContact CG-CG 4.19Å; L214-V545 HydrophobicContact CB-CG1 3.73Å; L214-V545 HydrophobicContact CB-CG2 4.25Å; L214-V545 HydrophobicContact CD1-CG1 4.05Å; L214-V545 HydrophobicContact CD2-CG1 4.43Å; L214-V545 HydrophobicContact CG-CG1 4.27Å
215	T	63.7	Low	57.4	Low	30 Å²	30	52.6 Å²	52.6	18%	0.184	26%	0.261	C	S	.	.	H	α-helix	trans	-69.3	-32.4	-178.5	-59.9	0	0	0	0	111.2	V209 P210 D212 L213 S218 R219	V209-T215 HydrophobicContact CG1-CG2 4.09Å; P210-T215 WeakPolarHBondContact O-CB 3.39Å; P210-T215 PolarHBondContact O-OG1 3.28Å; D212-T215 PolarHBondContact O-N 3.48Å; L213-T215 VanDerWaalsContact C-N 3.33Å; L213-T215 PolarHBondContact O-N 3.11Å; T215-S218 PolarHBondContact O-OG 3.49Å; T215-R219 WeakPolarHBondContact O-CD 3.23Å; T215-R219 VanDerWaalsContact O-CG 3.27Å; T215-R219 WeakPolarHBondContact O-CG 3.3Å
216	Y	62.3	Low	57.2	Low	9 Å²	9	55.6 Å²	55.6	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-73.8	-46.3	173.3	-68.2	-71.9	0	0	0	111.2	Q188 Y191 Y192 R211 D212 L213 L214 S218 R219 A220	Q188-Y216 VanDerWaalsContact CG-O 3.27Å; Q188-Y216 WeakPolarHBondContact CG-O 3.34Å; Q188-Y216 PolarHBondContact OE1-O 3.05Å; Y191-Y216 AromaticContact CD1-CD1 3.56Å; Y191-Y216 HydrophobicContact CD1-CD1 3.56Å; Y191-Y216 AromaticContact CD1-CE1 3.09Å; Y191-Y216 HydrophobicContact CD1-CE1 3.09Å; Y191-Y216 HydrophobicContact CD1-CG 4.48Å; Y191-Y216 AromaticContact CD1-CZ 3.67Å; Y191-Y216 HydrophobicContact CE1-CD1 4.03Å; Y191-Y216 AromaticContact CE1-CE1 3.1Å; Y191-Y216 HydrophobicContact CE1-CE1 3.1Å; Y191-Y216 AromaticContact CE1-CZ 3.49Å; Y191-Y216 VanDerWaalsContact CE1-CZ 3.49Å; Y191-Y216 WeakPolarHBondContact CE1-OH 3.49Å; Y191-Y216 HydrophobicContact CG-CD1 4.47Å; Y191-Y216 HydrophobicContact CG-CE1 4.28Å; Y192-Y216 AromaticContact CD2-CD2 3.95Å; Y192-Y216 HydrophobicContact CD2-CD2 3.95Å; Y192-Y216 HydrophobicContact CD2-CE2 4.19Å; R211-Y216 HydrophobicContact CB-CE2 4.42Å; D212-Y216 VanDerWaalsContact O-CD2 3.3Å; D212-Y216 WeakPolarHBondContact O-CD2 3.45Å; D212-Y216 PolarHBondContact O-N 3.4Å; L213-Y216 PolarHBondContact O-N 3.25Å; L214-Y216 VanDerWaalsContact C-N 3.3Å; L214-Y216 PolarHBondContact O-N 3.2Å; Y216-S218 VanDerWaalsContact C-N 3.33Å; Y216-S218 PolarHBondContact O-N 3.07Å; Y216-R219 WeakPolarHBondContact O-CB 3.17Å; Y216-R219 PolarHBondContact O-N 3.43Å; Y216-A220 PolarHBondContact O-N 3.47Å
217	M	74.6	Confident	57.3	Low	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-35.2	180	-64.5	-60.2	169.1	0	0	112.8	Y185 Q188 L189 L213 L214 A220 W245 H541 V545	Y185-M217 HydrophobicContact CD1-SD 3.48Å; Y185-M217 WeakPolarHBondContact CD1-SD 3.28Å; Y185-M217 HydrophobicContact CE1-CB 4.4Å; Y185-M217 HydrophobicContact CE1-SD 4.22Å; Y185-M217 HydrophobicContact CG-SD 4.39Å; Q188-M217 HydrophobicContact CB-CE 4.48Å; Q188-M217 HydrophobicContact CB-SD 4.14Å; L189-M217 HydrophobicContact CB-CE 3.85Å; L189-M217 HydrophobicContact CD1-CE 4.24Å; L213-M217 HydrophobicContact CD1-CE 3.4Å; L213-M217 VanDerWaalsContact CD1-CE 3.4Å; L213-M217 HydrophobicContact CD1-CG 4.27Å; L213-M217 HydrophobicContact CD2-CE 4.42Å; L213-M217 HydrophobicContact CG-CE 3.96Å; L213-M217 HydrophobicContact CG-CG 4.03Å; L213-M217 WeakPolarHBondContact O-CB 3.13Å; L213-M217 WeakPolarHBondContact O-CG 3.33Å; L213-M217 PolarHBondContact O-N 3.36Å; L214-M217 PolarHBondContact O-N 3.32Å; M217-A220 WeakPolarHBondContact O-CB 3.47Å; M217-A220 PolarHBondContact O-N 2.92Å; M217-W245 HydrophobicContact CB-CH2 3.47Å; M217-W245 VanDerWaalsContact CB-CH2 3.47Å; M217-W245 HydrophobicContact CB-CZ2 4.07Å; M217-W245 HydrophobicContact CB-CZ3 3.74Å; M217-W245 HydrophobicContact CG-CH2 4.15Å; M217-H541 VanDerWaalsContact CE-CD2 3.43Å; M217-H541 WeakPolarHBondContact CE-CD2 3.37Å; M217-H541 HydrophobicContact SD-CB 4.14Å; M217-V545 HydrophobicContact CB-CG2 4.45Å; M217-V545 HydrophobicContact CG-CG2 4.07Å
218	S	66.9	Low	57.6	Low	10 Å²	10	52.3 Å²	52.3	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-33.6	176.5	71.6	0	0	0	0	112.8	L214 T215 Y216 A220 Q221 D222	L214-S218 WeakPolarHBondContact O-CB 3.5Å; L214-S218 PolarHBondContact O-N 3.15Å; L214-S218 PolarHBondContact O-OG 3.22Å; T215-S218 PolarHBondContact O-OG 3.49Å; Y216-S218 VanDerWaalsContact C-N 3.33Å; Y216-S218 PolarHBondContact O-N 3.07Å; S218-A220 PolarHBondContact O-N 3.06Å; S218-Q221 WeakPolarHBondContact O-CB 3.4Å; S218-Q221 PolarHBondContact O-N 3.25Å; S218-D222 PolarHBondContact O-N 3.15Å
219	R	64	Low	57.6	Low	106 Å²	106	48.8 Å²	48.8	40%	0.4	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-29.9	175.7	-72.9	170	-175.8	-172.7	2.6	112.7	T215 Y216 Q221 D222 S223	T215-R219 WeakPolarHBondContact O-CD 3.23Å; T215-R219 VanDerWaalsContact O-CG 3.27Å; T215-R219 WeakPolarHBondContact O-CG 3.3Å; Y216-R219 WeakPolarHBondContact O-CB 3.17Å; Y216-R219 PolarHBondContact O-N 3.43Å; R219-Q221 PolarHBondContact O-N 2.91Å; R219-D222 PolarHBondContact O-N 3.44Å; R219-S223 PolarHBondContact O-N 3.28Å; R219-S223 PolarHBondContact O-OG 2.75Å
220	A	59.3	Low	57.3	Low	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.1	-33	171.7	0	0	0	0	0	111.2	L184 Y185 Q188 Y216 M217 S218 S223 V224	L184-A220 HydrophobicContact CB-CB 4.18Å; Y185-A220 HydrophobicContact CD1-CB 4.26Å; Y185-A220 HydrophobicContact CE1-CB 4.36Å; Q188-A220 HydrophobicContact CG-CB 3.88Å; Y216-A220 PolarHBondContact O-N 3.47Å; M217-A220 WeakPolarHBondContact O-CB 3.47Å; M217-A220 PolarHBondContact O-N 2.92Å; S218-A220 PolarHBondContact O-N 3.06Å; A220-S223 PolarHBondContact O-OG 2.96Å; A220-V224 WeakPolarHBondContact O-CG2 3.45Å; A220-V224 PolarHBondContact O-N 3.01Å
221	Q	57.7	Low	56.8	Low	9 Å²	9	59 Å²	59	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-82.3	-38.2	177.7	-61.1	-53.8	-49.3	0	0	113.1	Y185 S218 R219 S223 V224 S225 W245	Y185-Q221 PolarHBondContact OH-NE2 3.31Å; S218-Q221 WeakPolarHBondContact O-CB 3.4Å; S218-Q221 PolarHBondContact O-N 3.25Å; R219-Q221 PolarHBondContact O-N 2.91Å; Q221-S223 VanDerWaalsContact C-N 3.27Å; Q221-S223 PolarHBondContact O-N 3.01Å; Q221-V224 PolarHBondContact O-N 3Å; Q221-V224 VanDerWaalsContact O-N 3.13Å; Q221-S225 PolarHBondContact O-N 3.27Å; Q221-S225 PolarHBondContact O-OG 2.93Å; Q221-S225 VanDerWaalsContact O-OG 3.13Å; Q221-W245 HydrophobicContact CG-CG 4.33Å
222	D	57.7	Low	56.6	Low	78 Å²	78	61.7 Å²	61.7	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-39.6	176.2	-64.6	-26.8	0	0	0	111.5	S218 R219 S225 H226	S218-D222 PolarHBondContact O-N 3.15Å; R219-D222 PolarHBondContact O-N 3.44Å; D222-S225 WeakPolarHBondContact O-CB 3.29Å; D222-S225 PolarHBondContact O-N 2.89Å; D222-H226 PolarHBondContact O-CD2 3.27Å; D222-H226 PolarHBondContact O-N 3.4Å
223	S	54.1	Low	55.8	Low	54 Å²	54	70.2 Å²	70.2	38%	0.378	35%	0.349	S	S	.	.	H	α-helix	trans	-68.2	-32.4	175.5	58.1	0	0	0	0	113.6	R219 A220 Q221	R219-S223 PolarHBondContact O-N 3.28Å; R219-S223 PolarHBondContact O-OG 2.75Å; A220-S223 PolarHBondContact O-OG 2.96Å; Q221-S223 VanDerWaalsContact C-N 3.27Å; Q221-S223 PolarHBondContact O-N 3.01Å
224	V	54	Low	54.6	Low	4 Å²	4	74.4 Å²	74.4	2%	0.024	37%	0.371	C	S	.	.	H	α-helix	trans	-69.2	-38.5	174	171	0	0	0	0	111.3	L184 A220 Q221 H226 E227 K228	L184-V224 HydrophobicContact CD1-CG2 3.3Å; A220-V224 WeakPolarHBondContact O-CG2 3.45Å; A220-V224 PolarHBondContact O-N 3.01Å; Q221-V224 PolarHBondContact O-N 3Å; Q221-V224 VanDerWaalsContact O-N 3.13Å; V224-H226 VanDerWaalsContact C-N 3.33Å; V224-H226 PolarHBondContact O-N 2.83Å; V224-E227 PolarHBondContact O-N 2.95Å; V224-K228 HydrophobicContact CG1-CB 4.43Å; V224-K228 HydrophobicContact CG1-CD 3.41Å; V224-K228 VanDerWaalsContact CG1-CD 3.41Å; V224-K228 HydrophobicContact CG1-CG 3.86Å; V224-K228 PolarHBondContact O-N 3.49Å
225	S	50.5	Low	53.4	Low	50 Å²	50	79.8 Å²	79.8	35%	0.35	39%	0.394	S	S	.	.	H	α-helix	trans	-59.6	-40.3	178.9	-65.3	0	0	0	0	112.8	Q221 D222 E227	Q221-S225 PolarHBondContact O-N 3.27Å; Q221-S225 PolarHBondContact O-OG 2.93Å; Q221-S225 VanDerWaalsContact O-OG 3.13Å; D222-S225 WeakPolarHBondContact O-CB 3.29Å; D222-S225 PolarHBondContact O-N 2.89Å; S225-E227 VanDerWaalsContact C-N 3.25Å; S225-E227 PolarHBondContact O-N 3.34Å
226	H	44.7	Very low	53	Low	165 Å²	165	84.1 Å²	84.1	76%	0.764	42%	0.417	S	S	*	.	H	α-helix	trans	-64.6	-24.8	179.5	-82.9	-68.5	0	0	0	113.8	D222 V224	D222-H226 PolarHBondContact O-CD2 3.27Å; D222-H226 PolarHBondContact O-N 3.4Å; V224-H226 VanDerWaalsContact C-N 3.33Å; V224-H226 PolarHBondContact O-N 2.83Å
227	E	47.6	Very low	52.8	Low	124 Å²	124	86.7 Å²	86.7	58%	0.579	44%	0.436	S	S	*	.	H	α-helix	trans	-103.8	-36.1	178.9	-83.3	-168.4	168.8	0	0	114.6	R180 V224 S225 Q229	R180-E227 IonicContact CZ-OE2 4Å; R180-E227 IonicContact NH1-OE2 3.76Å; R180-E227 PolarHBondContact NH1-OE2 3.26Å; R180-E227 IonicContact NH2-OE2 2.95Å; R180-E227 PolarHBondContact NH2-OE2 3.3Å; V224-E227 PolarHBondContact O-N 2.95Å; S225-E227 VanDerWaalsContact C-N 3.25Å; S225-E227 PolarHBondContact O-N 3.34Å; E227-Q229 VanDerWaalsContact C-N 3.28Å; E227-Q229 PolarHBondContact O-N 3.1Å
228	K	49.7	Very low	52.4	Low	48 Å²	48	88.4 Å²	88.4	21%	0.209	44%	0.444	C	S	.	.	H	α-helix	trans	-77.5	-6.2	-173.5	-72.7	-170.4	-174.2	163.2	0	114.4	D181 V224 L230 K231 L234 H238	D181-K228 IonicContact OD1-NZ 2.77Å; D181-K228 PolarHBondContact OD1-NZ 3.38Å; D181-K228 VanDerWaalsContact OD1-NZ 3.16Å; D181-K228 IonicContact OD2-NZ 3.06Å; D181-K228 PolarHBondContact OD2-NZ 3.46Å; V224-K228 HydrophobicContact CG1-CB 4.43Å; V224-K228 HydrophobicContact CG1-CD 3.41Å; V224-K228 VanDerWaalsContact CG1-CD 3.41Å; V224-K228 HydrophobicContact CG1-CG 3.86Å; V224-K228 PolarHBondContact O-N 3.49Å; K228-L230 PolarHBondContact O-N 3.29Å; K228-K231 PolarHBondContact O-N 2.91Å; K228-K231 VanDerWaalsContact O-N 3.1Å; K228-L234 HydrophobicContact CD-CD2 4.23Å; K228-H238 WeakPolarHBondContact CD-NE2 3.47Å; K228-H238 PolarHBondContact NZ-CE1 3.42Å; K228-H238 PolarHBondContact NZ-NE2 3.36Å
229	Q	45	Very low	52.9	Low	165 Å²	165	90.8 Å²	90.8	77%	0.771	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-15.1	173.5	-92.5	-174.7	-10.1	0	0	114.3	E227	E227-Q229 VanDerWaalsContact C-N 3.28Å; E227-Q229 PolarHBondContact O-N 3.1Å
230	L	41.8	Very low	53.8	Low	165 Å²	165	88.3 Å²	88.3	86%	0.864	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.3	177.3	-91.1	127.3	0	0	0	117	K228	K228-L230 PolarHBondContact O-N 3.29Å
231	K	40.6	Very low	55	Low	158 Å²	158	88.7 Å²	88.7	69%	0.687	46%	0.457	S	S	*	.			trans	-122.4	116.6	178.5	-70	-176	179	179.7	0	112.7	K228	K228-K231 PolarHBondContact O-N 2.91Å; K228-K231 VanDerWaalsContact O-N 3.1Å
232	T	48.4	Very low	56.2	Low	108 Å²	108	92 Å²	92	66%	0.663	47%	0.474	S	S	*	.	S	Bend	trans	-73.8	-31	-168.3	38.9	0	0	0	0	116	K235	T232-K235 WeakPolarHBondContact O-CG 3.31Å
233	Q	44.3	Very low	57.6	Low	188 Å²	188	90.2 Å²	90.2	88%	0.879	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-24	-175.4	-75.6	-96.8	-27.9	0	0	113.5	K235	Q233-K235 VanDerWaalsContact C-N 3.27Å; Q233-K235 PolarHBondContact O-N 3.26Å
234	L	44.5	Very low	59.2	Low	88 Å²	88	88.5 Å²	88.5	46%	0.461	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.7	179.7	-136.2	69.5	0	0	0	112.8	K228 H238	K228-L234 HydrophobicContact CD-CD2 4.23Å; L234-H238 WeakPolarHBondContact CD2-NE2 3.48Å; L234-H238 PolarHBondContact O-CD2 2.85Å; L234-H238 PolarHBondContact O-N 3.09Å
235	K	49.3	Very low	60.7	Low	116 Å²	116	88.4 Å²	88.4	50%	0.504	45%	0.448	S	S	.	.	H	α-helix	trans	-65.5	-40.9	-173.2	-77.5	-177	173.2	-174.6	0	113.1	T232 Q233 S239	T232-K235 WeakPolarHBondContact O-CG 3.31Å; Q233-K235 VanDerWaalsContact C-N 3.27Å; Q233-K235 PolarHBondContact O-N 3.26Å; K235-S239 WeakPolarHBondContact O-CB 3.44Å; K235-S239 PolarHBondContact O-N 2.99Å; K235-S239 VanDerWaalsContact O-N 3.08Å
236	N	57	Low	62.5	Low	122 Å²	122	88.4 Å²	88.4	65%	0.652	45%	0.446	S	S	*	.	H	α-helix	trans	-70.2	-55.9	-171.7	-63.7	1	0	0	0	111	H238 S239 D240	N236-H238 VanDerWaalsContact C-N 3.26Å; N236-H238 PolarHBondContact O-N 3.36Å; N236-S239 WeakPolarHBondContact O-CA 3.29Å; N236-S239 VanDerWaalsContact O-CB 3.32Å; N236-S239 WeakPolarHBondContact O-CB 3.45Å; N236-S239 PolarHBondContact O-N 3.13Å; N236-D240 VanDerWaalsContact O-CG 3.23Å; N236-D240 PolarHBondContact O-N 3.45Å
237	S	57.8	Low	64.7	Low	63 Å²	63	80.9 Å²	80.9	44%	0.441	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-34.7	-179.1	-48.6	0	0	0	0	113.2	I241	S237-I241 WeakPolarHBondContact O-CD1 3.32Å; S237-I241 VanDerWaalsContact O-CG1 3.24Å; S237-I241 WeakPolarHBondContact O-CG1 3.4Å; S237-I241 PolarHBondContact O-N 3.18Å
238	H	64.8	Low	66.7	Low	35 Å²	35	75.3 Å²	75.3	16%	0.162	39%	0.385	C	S	.	.	H	α-helix	trans	-70.2	-36.1	175	-81.3	-50	0	0	0	113.3	K228 L234 N236 M242	K228-H238 WeakPolarHBondContact CD-NE2 3.47Å; K228-H238 PolarHBondContact NZ-CE1 3.42Å; K228-H238 PolarHBondContact NZ-NE2 3.36Å; L234-H238 WeakPolarHBondContact CD2-NE2 3.48Å; L234-H238 PolarHBondContact O-CD2 2.85Å; L234-H238 PolarHBondContact O-N 3.09Å; N236-H238 VanDerWaalsContact C-N 3.26Å; N236-H238 PolarHBondContact O-N 3.36Å; H238-M242 WeakPolarHBondContact O-CB 3.43Å; H238-M242 PolarHBondContact O-N 3.48Å
239	S	77.4	Confident	68.5	Low	61 Å²	61	77.1 Å²	77.1	43%	0.427	39%	0.391	S	S	.	.	H	α-helix	trans	-61.1	-47.5	173.2	-168	0	0	0	0	110.6	K235 N236 I241 M242 E243	K235-S239 WeakPolarHBondContact O-CB 3.44Å; K235-S239 PolarHBondContact O-N 2.99Å; K235-S239 VanDerWaalsContact O-N 3.08Å; N236-S239 WeakPolarHBondContact O-CA 3.29Å; N236-S239 VanDerWaalsContact O-CB 3.32Å; N236-S239 WeakPolarHBondContact O-CB 3.45Å; N236-S239 PolarHBondContact O-N 3.13Å; S239-I241 PolarHBondContact O-N 3.08Å; S239-M242 WeakPolarHBondContact O-CB 3.44Å; S239-M242 PolarHBondContact O-N 3.48Å; S239-E243 WeakPolarHBondContact O-CB 3.48Å; S239-E243 PolarHBondContact O-N 3.36Å
240	D	83.7	Confident	70.6	Confident	54 Å²	54	71.3 Å²	71.3	29%	0.289	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-41	-179	-54.9	-22.3	0	0	0	111.7	N236 E243 M244 L510	N236-D240 VanDerWaalsContact O-CG 3.23Å; N236-D240 PolarHBondContact O-N 3.45Å; D240-E243 WeakPolarHBondContact O-CB 3.32Å; D240-E243 PolarHBondContact O-N 3.32Å; D240-M244 WeakPolarHBondContact O-CG 3.37Å; D240-M244 PolarHBondContact O-N 2.87Å; D240-L510 HydrophobicContact CB-CB 4.36Å; D240-L510 HydrophobicContact CB-CD1 3.56Å
241	I	85.1	Confident	72.9	Confident	7 Å²	7	63.5 Å²	63.5	4%	0.036	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-39.9	175.7	-68.3	160.3	0	0	0	111.2	S237 S239 E243 M244 W245 L510 L535 H538	S237-I241 WeakPolarHBondContact O-CD1 3.32Å; S237-I241 VanDerWaalsContact O-CG1 3.24Å; S237-I241 WeakPolarHBondContact O-CG1 3.4Å; S237-I241 PolarHBondContact O-N 3.18Å; S239-I241 PolarHBondContact O-N 3.08Å; I241-E243 VanDerWaalsContact C-N 3.27Å; I241-E243 PolarHBondContact O-N 2.95Å; I241-M244 WeakPolarHBondContact O-CB 3.17Å; I241-M244 PolarHBondContact O-N 3.28Å; I241-W245 VanDerWaalsContact O-CD1 3.27Å; I241-W245 PolarHBondContact O-N 3.15Å; I241-W245 VanDerWaalsContact O-N 3.12Å; I241-L510 HydrophobicContact CG1-CD1 4.24Å; I241-L510 HydrophobicContact CG1-CD2 4.47Å; I241-L535 HydrophobicContact CD1-CD2 4.45Å; I241-H538 WeakPolarHBondContact CD1-NE2 3.24Å
242	M	82.9	Confident	75.1	Confident	79 Å²	79	56.4 Å²	56.4	39%	0.389	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-38.1	176.5	-176.7	-176.4	71	0	0	111.1	H238 S239 W245 T246	H238-M242 WeakPolarHBondContact O-CB 3.43Å; H238-M242 PolarHBondContact O-N 3.48Å; S239-M242 WeakPolarHBondContact O-CB 3.44Å; S239-M242 PolarHBondContact O-N 3.48Å; M242-W245 PolarHBondContact O-N 3.38Å; M242-T246 WeakPolarHBondContact O-CB 3.42Å; M242-T246 PolarHBondContact O-N 2.89Å; M242-T246 PolarHBondContact O-OG1 2.93Å
243	E	85.7	Confident	76.9	Confident	41 Å²	41	58.5 Å²	58.5	19%	0.192	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-46.4	173.8	-174.3	-168.2	141.9	0	0	111.3	S239 D240 I241 W245 T246 F247 H288 E292 K514	S239-E243 WeakPolarHBondContact O-CB 3.48Å; S239-E243 PolarHBondContact O-N 3.36Å; D240-E243 WeakPolarHBondContact O-CB 3.32Å; D240-E243 PolarHBondContact O-N 3.32Å; I241-E243 VanDerWaalsContact C-N 3.27Å; I241-E243 PolarHBondContact O-N 2.95Å; E243-W245 PolarHBondContact O-N 3.39Å; E243-T246 CarbonylContact O-C 3.6Å; E243-T246 WeakPolarHBondContact O-CA 3.35Å; E243-T246 WeakPolarHBondContact O-CB 3.46Å; E243-T246 PolarHBondContact O-N 3.08Å; E243-F247 PolarHBondContact O-N 2.94Å; E243-H288 IonicContact OE1-CE1 3.85Å; E243-H288 IonicContact OE1-NE2 3.65Å; E243-H288 PolarHBondContact OE1-NE2 3.28Å; E243-E292 VanDerWaalsContact OE1-OE1 3.09Å; E243-K514 WeakPolarHBondContact OE1-CD 3.38Å; E243-K514 WeakPolarHBondContact OE1-CE 3.14Å; E243-K514 IonicContact OE1-NZ 2.95Å; E243-K514 PolarHBondContact OE1-NZ 3.27Å
244	M	87.8	Confident	78.9	Confident	18 Å²	18	51 Å²	51	9%	0.089	26%	0.257	C	S	.	.	H	α-helix	trans	-55.4	-48.2	175.1	-68.2	174.8	-174.6	0	0	112.5	D240 I241 T246 F247 M248 L510 F513	D240-M244 WeakPolarHBondContact O-CG 3.37Å; D240-M244 PolarHBondContact O-N 2.87Å; I241-M244 WeakPolarHBondContact O-CB 3.17Å; I241-M244 PolarHBondContact O-N 3.28Å; M244-T246 VanDerWaalsContact C-N 3.28Å; M244-T246 PolarHBondContact O-N 2.85Å; M244-F247 PolarHBondContact O-N 3.28Å; M244-M248 WeakPolarHBondContact O-CG 3.3Å; M244-M248 PolarHBondContact O-N 3.36Å; M244-L510 HydrophobicContact CE-CB 3.38Å; M244-L510 HydrophobicContact CE-CD1 4.36Å; M244-L510 HydrophobicContact CE-CD2 3.3Å; M244-L510 HydrophobicContact CE-CG 3.79Å; M244-L510 WeakPolarHBondContact CE-O 3.45Å; M244-L510 HydrophobicContact SD-CD2 3.94Å; M244-F513 HydrophobicContact CB-CE1 4.48Å; M244-F513 HydrophobicContact CE-CB 4.38Å; M244-F513 HydrophobicContact CE-CD1 3.59Å; M244-F513 HydrophobicContact CE-CE1 4.32Å; M244-F513 HydrophobicContact CE-CG 4.33Å; M244-F513 HydrophobicContact CG-CD1 4.09Å; M244-F513 HydrophobicContact CG-CE1 4.03Å; M244-F513 HydrophobicContact SD-CD1 3.58Å; M244-F513 VanDerWaalsContact SD-CD1 3.58Å; M244-F513 HydrophobicContact SD-CE1 3.71Å
245	W	87.3	Confident	81	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-31.6	177.5	-78.3	108.4	0	0	0	112.6	Y185 L214 M217 Q221 I241 M242 E243 M248 R249 H541 I542 V545	Y185-W245 AromaticContact CE1-CZ2 3.65Å; Y185-W245 HydrophobicContact CE1-CZ2 3.65Å; Y185-W245 AromaticContact CZ-CZ2 3.98Å; Y185-W245 PolarHBondContact OH-NE1 2.82Å; L214-W245 HydrophobicContact CD1-CE3 3.47Å; L214-W245 VanDerWaalsContact CD1-CE3 3.47Å; L214-W245 HydrophobicContact CD1-CZ3 3.48Å; L214-W245 VanDerWaalsContact CD1-CZ3 3.48Å; M217-W245 HydrophobicContact CB-CH2 3.47Å; M217-W245 VanDerWaalsContact CB-CH2 3.47Å; M217-W245 HydrophobicContact CB-CZ2 4.07Å; M217-W245 HydrophobicContact CB-CZ3 3.74Å; M217-W245 HydrophobicContact CG-CH2 4.15Å; Q221-W245 HydrophobicContact CG-CG 4.33Å; I241-W245 VanDerWaalsContact O-CD1 3.27Å; I241-W245 PolarHBondContact O-N 3.15Å; I241-W245 VanDerWaalsContact O-N 3.12Å; M242-W245 PolarHBondContact O-N 3.38Å; E243-W245 PolarHBondContact O-N 3.39Å; W245-M248 HydrophobicContact CE3-CB 4.47Å; W245-M248 PolarHBondContact O-N 2.88Å; W245-R249 WeakPolarHBondContact O-CB 3.37Å; W245-R249 WeakPolarHBondContact O-CG 3.14Å; W245-R249 PolarHBondContact O-N 3.48Å; W245-H541 HydrophobicContact CH2-CB 4.35Å; W245-H541 HydrophobicContact CZ2-CB 4.38Å; W245-I542 HydrophobicContact CH2-CG1 3.92Å; W245-I542 HydrophobicContact CZ2-CG1 3.96Å; W245-I542 HydrophobicContact CZ3-CG1 4.4Å; W245-V545 HydrophobicContact CH2-CG2 4.21Å; W245-V545 HydrophobicContact CZ3-CG2 4.07Å
246	T	88	Confident	82.5	Confident	49 Å²	49	44.6 Å²	44.6	30%	0.301	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-43.4	173.2	-58	0	0	0	0	110.7	M242 E243 M244 R249 T250	M242-T246 WeakPolarHBondContact O-CB 3.42Å; M242-T246 PolarHBondContact O-N 2.89Å; M242-T246 PolarHBondContact O-OG1 2.93Å; E243-T246 CarbonylContact O-C 3.6Å; E243-T246 WeakPolarHBondContact O-CA 3.35Å; E243-T246 WeakPolarHBondContact O-CB 3.46Å; E243-T246 PolarHBondContact O-N 3.08Å; M244-T246 VanDerWaalsContact C-N 3.28Å; M244-T246 PolarHBondContact O-N 2.85Å; T246-R249 WeakPolarHBondContact O-CB 3.12Å; T246-R249 PolarHBondContact O-N 3.39Å; T246-R249 PolarHBondContact OG1-NH2 3.12Å; T246-T250 PolarHBondContact O-N 3.25Å; T246-T250 PolarHBondContact O-OG1 2.96Å
247	F	90.2	Very high	83.7	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.035	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-44.9	174.6	-177.6	-122.6	0	0	0	112.2	E243 M244 R249 T250 I251 C284 H288 C517 L518	E243-F247 PolarHBondContact O-N 2.94Å; M244-F247 PolarHBondContact O-N 3.28Å; F247-R249 VanDerWaalsContact C-N 3.29Å; F247-R249 PolarHBondContact O-N 2.9Å; F247-T250 WeakPolarHBondContact O-CB 3.28Å; F247-T250 PolarHBondContact O-N 3.13Å; F247-T250 VanDerWaalsContact O-N 3.14Å; F247-I251 HydrophobicContact CD1-CD1 4.03Å; F247-I251 HydrophobicContact CE1-CD1 3.5Å; F247-I251 HydrophobicContact CE1-CG1 4.41Å; F247-I251 HydrophobicContact CE2-CD1 4.14Å; F247-I251 HydrophobicContact CE2-CG1 4.21Å; F247-I251 HydrophobicContact CZ-CD1 3.57Å; F247-I251 HydrophobicContact CZ-CG1 4.1Å; F247-I251 PolarHBondContact O-N 3.36Å; F247-C284 HydrophobicContact CE2-CB 4.45Å; F247-H288 HydrophobicContact CD2-CB 3.88Å; F247-H288 AromaticContact CD2-CG 3.83Å; F247-H288 HydrophobicContact CE2-CB 4.14Å; F247-C517 HydrophobicContact CD1-CB 4.44Å; F247-C517 HydrophobicContact CE1-CB 4.04Å; F247-L518 HydrophobicContact CD2-CD2 4.42Å; F247-L518 HydrophobicContact CE1-CD2 4.16Å; F247-L518 HydrophobicContact CE2-CD2 3.82Å; F247-L518 HydrophobicContact CZ-CD2 3.67Å
248	M	90.4	Very high	84.9	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-37.9	174.6	-67.9	-58.8	106.4	0	0	112.4	L214 M244 W245 I251 S252 I542 L546	L214-M248 HydrophobicContact CD1-CB 3.97Å; L214-M248 WeakPolarHBondContact CD2-O 3.31Å; M244-M248 WeakPolarHBondContact O-CG 3.3Å; M244-M248 PolarHBondContact O-N 3.36Å; W245-M248 HydrophobicContact CE3-CB 4.47Å; W245-M248 PolarHBondContact O-N 2.88Å; M248-I251 HydrophobicContact CE-CD1 3.82Å; M248-I251 PolarHBondContact O-N 3.4Å; M248-S252 WeakPolarHBondContact O-CB 3.16Å; M248-S252 PolarHBondContact O-N 3.15Å; M248-I542 HydrophobicContact SD-CG2 4.16Å; M248-L546 HydrophobicContact SD-CD2 4.33Å
249	R	87	Confident	85.8	Confident	87 Å²	87	43.8 Å²	43.8	33%	0.328	21%	0.213	S	C	.	.	H	α-helix	trans	-62.7	-43.7	173.4	-79.9	-174.7	-87.7	106.4	-5.7	112.3	L214 W245 T246 F247 S252 Y253	L214-R249 HydrophobicContact CD1-CG 4.26Å; L214-R249 HydrophobicContact CD2-CG 4.21Å; L214-R249 HydrophobicContact CG-CG 4.19Å; W245-R249 WeakPolarHBondContact O-CB 3.37Å; W245-R249 WeakPolarHBondContact O-CG 3.14Å; W245-R249 PolarHBondContact O-N 3.48Å; T246-R249 WeakPolarHBondContact O-CB 3.12Å; T246-R249 PolarHBondContact O-N 3.39Å; T246-R249 PolarHBondContact OG1-NH2 3.12Å; F247-R249 VanDerWaalsContact C-N 3.29Å; F247-R249 PolarHBondContact O-N 2.9Å; R249-S252 PolarHBondContact O-N 3.33Å; R249-Y253 WeakPolarHBondContact O-CB 3.26Å; R249-Y253 PolarHBondContact O-N 3.24Å
250	T	88.2	Confident	85.8	Confident	42 Å²	42	42 Å²	42	26%	0.258	21%	0.205	S	C	.	.	H	α-helix	trans	-61.4	-47.8	176.5	-56.6	0	0	0	0	111.1	T246 F247 S252 Y253 H254 C284	T246-T250 PolarHBondContact O-N 3.25Å; T246-T250 PolarHBondContact O-OG1 2.96Å; F247-T250 WeakPolarHBondContact O-CB 3.28Å; F247-T250 PolarHBondContact O-N 3.13Å; F247-T250 VanDerWaalsContact O-N 3.14Å; T250-S252 PolarHBondContact O-N 3.4Å; T250-Y253 PolarHBondContact O-N 2.91Å; T250-H254 PolarHBondContact O-CD2 3.48Å; T250-H254 PolarHBondContact O-N 3.48Å; T250-H254 VanDerWaalsContact O-N 3.07Å; T250-C284 HydrophobicContact CG2-CB 4.37Å
251	I	89.7	Confident	85.5	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-56.7	-52.3	176.3	-70.2	173.5	0	0	0	110.7	F247 M248 Y253 H254 M255 L281 C284 Y522 M551	F247-I251 HydrophobicContact CD1-CD1 4.03Å; F247-I251 HydrophobicContact CE1-CD1 3.5Å; F247-I251 HydrophobicContact CE1-CG1 4.41Å; F247-I251 HydrophobicContact CE2-CD1 4.14Å; F247-I251 HydrophobicContact CE2-CG1 4.21Å; F247-I251 HydrophobicContact CZ-CD1 3.57Å; F247-I251 HydrophobicContact CZ-CG1 4.1Å; F247-I251 PolarHBondContact O-N 3.36Å; M248-I251 HydrophobicContact CE-CD1 3.82Å; M248-I251 PolarHBondContact O-N 3.4Å; I251-Y253 VanDerWaalsContact C-N 3.32Å; I251-Y253 PolarHBondContact O-N 3.28Å; I251-H254 PolarHBondContact O-N 3.13Å; I251-M255 HydrophobicContact CG2-CG 4.02Å; I251-M255 VanDerWaalsContact O-CB 3.31Å; I251-M255 WeakPolarHBondContact O-CB 3.33Å; I251-M255 VanDerWaalsContact O-CG 3.25Å; I251-M255 WeakPolarHBondContact O-CG 3.14Å; I251-M255 PolarHBondContact O-N 2.95Å; I251-L281 HydrophobicContact CG1-CD2 4.31Å; I251-L281 HydrophobicContact CG2-CD2 3.68Å; I251-C284 HydrophobicContact CG1-CB 4.31Å; I251-Y522 HydrophobicContact CD1-CE1 4.2Å; I251-M551 HydrophobicContact CG2-CE 4.06Å; I251-M551 HydrophobicContact CG2-SD 4.16Å
252	S	87.8	Confident	85.1	Confident	10 Å²	10	46.6 Å²	46.6	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-40.9	-177.7	177.3	0	0	0	0	112.6	M248 R249 T250 R256	M248-S252 WeakPolarHBondContact O-CB 3.16Å; M248-S252 PolarHBondContact O-N 3.15Å; R249-S252 PolarHBondContact O-N 3.33Å; T250-S252 PolarHBondContact O-N 3.4Å; S252-R256 WeakPolarHBondContact O-CB 3.33Å; S252-R256 PolarHBondContact O-N 2.69Å
253	Y	86.7	Confident	84.7	Confident	151 Å²	151	43.7 Å²	43.7	59%	0.592	22%	0.22	S	C	*	.	H	α-helix	trans	-61.4	-50.4	176.9	177	-100.2	0	0	0	112	R249 T250 I251 N257	R249-Y253 WeakPolarHBondContact O-CB 3.26Å; R249-Y253 PolarHBondContact O-N 3.24Å; T250-Y253 PolarHBondContact O-N 2.91Å; I251-Y253 VanDerWaalsContact C-N 3.32Å; I251-Y253 PolarHBondContact O-N 3.28Å; Y253-N257 WeakPolarHBondContact CD2-ND2 3.39Å; Y253-N257 WeakPolarHBondContact CE1-ND2 3.31Å; Y253-N257 WeakPolarHBondContact CE2-ND2 3.47Å; Y253-N257 WeakPolarHBondContact O-CB 3.4Å; Y253-N257 PolarHBondContact O-N 2.96Å; Y253-N257 VanDerWaalsContact O-N 3.11Å; Y253-N257 PolarHBondContact O-ND2 2.99Å; Y253-N257 VanDerWaalsContact O-ND2 3.15Å; Y253-N257 PolarHBondContact OH-ND2 2.95Å
254	H	86.8	Confident	84.1	Confident	30 Å²	30	48.5 Å²	48.5	14%	0.139	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-44.7	179.4	-82.9	-79.5	0	0	0	112.2	T250 I251 R256 N257 E258 T280 C284	T250-H254 PolarHBondContact O-CD2 3.48Å; T250-H254 PolarHBondContact O-N 3.48Å; T250-H254 VanDerWaalsContact O-N 3.07Å; I251-H254 PolarHBondContact O-N 3.13Å; H254-R256 VanDerWaalsContact C-N 3.32Å; H254-R256 PolarHBondContact O-N 2.95Å; H254-N257 PolarHBondContact O-N 2.86Å; H254-E258 IonicContact CE1-OE1 2.86Å; H254-E258 IonicContact CG-OE1 3.74Å; H254-E258 IonicContact ND1-OE1 2.59Å; H254-E258 PolarHBondContact ND1-OE1 3.2Å; H254-E258 WeakPolarHBondContact O-CB 3.41Å; H254-E258 PolarHBondContact O-N 3.31Å; H254-T280 HydrophobicContact CB-CG2 3.8Å; H254-C284 VanDerWaalsContact CD2-SG 3.59Å
255	M	86.6	Confident	83.2	Confident	1 Å²	1	55 Å²	55	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-38.8	179.7	-72.9	-57.7	-60.7	0	0	112.3	I251 H259 G260 L263 V271 V277 T280 L281 M551	I251-M255 HydrophobicContact CG2-CG 4.02Å; I251-M255 VanDerWaalsContact O-CB 3.31Å; I251-M255 WeakPolarHBondContact O-CB 3.33Å; I251-M255 VanDerWaalsContact O-CG 3.25Å; I251-M255 WeakPolarHBondContact O-CG 3.14Å; I251-M255 PolarHBondContact O-N 2.95Å; M255-H259 HydrophobicContact CE-CB 4.01Å; M255-H259 CarbonylContact O-C 3.59Å; M255-H259 VanDerWaalsContact O-CA 3.29Å; M255-H259 WeakPolarHBondContact O-CA 3.27Å; M255-H259 WeakPolarHBondContact O-CB 3.5Å; M255-H259 PolarHBondContact O-N 3.33Å; M255-G260 PolarHBondContact O-N 2.91Å; M255-G260 VanDerWaalsContact O-N 3.11Å; M255-L263 HydrophobicContact CB-CD1 4.08Å; M255-L263 HydrophobicContact CE-CD2 3.92Å; M255-V271 HydrophobicContact CE-CG1 4.13Å; M255-V277 HydrophobicContact CE-CB 4.41Å; M255-V277 HydrophobicContact CE-CG1 3.6Å; M255-V277 HydrophobicContact CE-CG2 4.01Å; M255-V277 HydrophobicContact SD-CG1 3.87Å; M255-T280 HydrophobicContact SD-CG2 4.5Å; M255-L281 HydrophobicContact CG-CD2 4.06Å; M255-L281 HydrophobicContact SD-CD2 3.94Å; M255-L281 HydrophobicContact SD-CG 4.25Å; M255-M551 HydrophobicContact CG-CE 4.36Å; M255-M551 HydrophobicContact CG-SD 4.04Å
256	R	82	Confident	82.5	Confident	69 Å²	69	60.2 Å²	60.2	26%	0.26	30%	0.299	S	S	.	.	H	α-helix	trans	-70.6	-40.2	176.7	177.9	165.3	-78	-176.5	-3.1	112.9	D212 S252 H254 G260	D212-R256 VanDerWaalsContact CG-NH1 3.3Å; D212-R256 IonicContact OD1-CZ 3Å; D212-R256 VanDerWaalsContact OD1-CZ 3.3Å; D212-R256 IonicContact OD1-NH1 3.38Å; D212-R256 PolarHBondContact OD1-NH1 3.32Å; D212-R256 IonicContact OD1-NH2 2.77Å; D212-R256 PolarHBondContact OD1-NH2 2.84Å; D212-R256 IonicContact OD2-CZ 3.98Å; D212-R256 IonicContact OD2-NE 2.92Å; D212-R256 IonicContact OD2-NH1 3.28Å; D212-R256 PolarHBondContact OD2-NH1 3.46Å; D212-R256 IonicContact OD2-NH2 2.93Å; D212-R256 PolarHBondContact OD2-NH2 3.13Å; S252-R256 WeakPolarHBondContact O-CB 3.33Å; S252-R256 PolarHBondContact O-N 2.69Å; H254-R256 VanDerWaalsContact C-N 3.32Å; H254-R256 PolarHBondContact O-N 2.95Å; R256-G260 WeakPolarHBondContact O-CA 3.49Å; R256-G260 PolarHBondContact O-N 3.25Å
257	N	82.1	Confident	82.3	Confident	97 Å²	97	60.6 Å²	60.6	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-76.6	-38.1	-176.2	-67.8	-22.1	0	0	0	112.7	Y253 H254	Y253-N257 WeakPolarHBondContact CD2-ND2 3.39Å; Y253-N257 WeakPolarHBondContact CE1-ND2 3.31Å; Y253-N257 WeakPolarHBondContact CE2-ND2 3.47Å; Y253-N257 WeakPolarHBondContact O-CB 3.4Å; Y253-N257 PolarHBondContact O-N 2.96Å; Y253-N257 VanDerWaalsContact O-N 3.11Å; Y253-N257 PolarHBondContact O-ND2 2.99Å; Y253-N257 VanDerWaalsContact O-ND2 3.15Å; Y253-N257 PolarHBondContact OH-ND2 2.95Å; H254-N257 PolarHBondContact O-N 2.86Å
258	E	83.2	Confident	82.1	Confident	94 Å²	94	61.4 Å²	61.4	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-94.9	-37.6	-174.9	-63.5	175.8	-153.3	0	0	112.2	H254 T280	H254-E258 IonicContact CE1-OE1 2.86Å; H254-E258 IonicContact CG-OE1 3.74Å; H254-E258 IonicContact ND1-OE1 2.59Å; H254-E258 PolarHBondContact ND1-OE1 3.2Å; H254-E258 WeakPolarHBondContact O-CB 3.41Å; H254-E258 PolarHBondContact O-N 3.31Å; E258-T280 WeakPolarHBondContact OE2-CG2 3.48Å; E258-T280 PolarHBondContact OE2-OG1 3.38Å
259	H	83.8	Confident	82	Confident	12 Å²	12	63.5 Å²	63.5	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-125	17.4	-170.5	-58.5	-57.2	0	0	0	113.7	M255 S261 M262 L263 S276 V277 T280	M255-H259 HydrophobicContact CE-CB 4.01Å; M255-H259 CarbonylContact O-C 3.59Å; M255-H259 VanDerWaalsContact O-CA 3.29Å; M255-H259 WeakPolarHBondContact O-CA 3.27Å; M255-H259 WeakPolarHBondContact O-CB 3.5Å; M255-H259 PolarHBondContact O-N 3.33Å; H259-S261 PolarHBondContact O-N 2.99Å; H259-M262 PolarHBondContact O-N 3.18Å; H259-L263 PolarHBondContact O-N 3.18Å; H259-S276 PolarHBondContact CE1-OG 3.11Å; H259-V277 HydrophobicContact CB-CG2 4.33Å; H259-T280 PolarHBondContact NE2-OG1 3.17Å
260	G	77.5	Confident	82	Confident	25 Å²	25	65.1 Å²	65.1	26%	0.258	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.7	-173.8	0	0	0	0	0	114.6	M255 R256	M255-G260 PolarHBondContact O-N 2.91Å; M255-G260 VanDerWaalsContact O-N 3.11Å; R256-G260 WeakPolarHBondContact O-CA 3.49Å; R256-G260 PolarHBondContact O-N 3.25Å
261	S	76.7	Confident	82	Confident	81 Å²	81	63.5 Å²	63.5	57%	0.566	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-33.7	175.3	53.5	0	0	0	0	113.5	H259 Y265	H259-S261 PolarHBondContact O-N 2.99Å; S261-Y265 WeakPolarHBondContact O-CD2 3.21Å; S261-Y265 WeakPolarHBondContact O-CE2 3.44Å
262	M	77.5	Confident	82	Confident	76 Å²	76	63.6 Å²	63.6	37%	0.374	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-73.5	-34.5	177.9	-66.7	-172.3	-175.7	0	0	111.7	H259 L264 Y265 V271 V277	H259-M262 PolarHBondContact O-N 3.18Å; M262-L264 PolarHBondContact O-N 3.41Å; M262-Y265 PolarHBondContact O-N 3.4Å; M262-V271 HydrophobicContact CB-CG2 4.19Å; M262-V277 HydrophobicContact SD-CG2 4.46Å
263	L	74.7	Confident	82	Confident	18 Å²	18	64.1 Å²	64.1	9%	0.094	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-68.4	-15.2	179.4	-58.7	177.4	0	0	0	113.9	M255 H259 Y265 V271 H550 M551	M255-L263 HydrophobicContact CB-CD1 4.08Å; M255-L263 HydrophobicContact CE-CD2 3.92Å; H259-L263 PolarHBondContact O-N 3.18Å; L263-Y265 PolarHBondContact O-N 3.29Å; L263-V271 HydrophobicContact CD2-CG1 3.98Å; L263-H550 PolarHBondContact O-CD2 3.02Å; L263-H550 VanDerWaalsContact O-CD2 3.22Å; L263-M551 HydrophobicContact CD2-CG 4.46Å
264	L	71.7	Confident	82	Confident	141 Å²	141	58.3 Å²	58.3	74%	0.738	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-69.8	-24.6	176.2	-73.9	163	0	0	0	112.3	M262	M262-L264 PolarHBondContact O-N 3.41Å
265	Y	68.4	Low	82	Confident	156 Å²	156	59.5 Å²	59.5	61%	0.612	31%	0.309	S	S	*	.	S	Bend	trans	-94.5	132.1	178.1	-54.9	-83.7	0	0	0	109.2	S261 M262 L263 H267	S261-Y265 WeakPolarHBondContact O-CD2 3.21Å; S261-Y265 WeakPolarHBondContact O-CE2 3.44Å; M262-Y265 PolarHBondContact O-N 3.4Å; L263-Y265 PolarHBondContact O-N 3.29Å; Y265-H267 PolarHBondContact O-N 3.05Å
266	N	73.8	Confident	82.1	Confident	111 Å²	111	62 Å²	62	59%	0.594	33%	0.327	S	S	*	.	S	Bend	trans	-78.9	54.1	-176	-164.3	25.4	0	0	0	112.2	P268 H550	N266-P268 VanDerWaalsContact C-CD 3.48Å; N266-P268 WeakPolarHBondContact O-CD 3.46Å; N266-H550 PolarHBondContact OD1-ND1 3.31Å
267	H	83.7	Confident	82.5	Confident	56 Å²	56	58.8 Å²	58.8	26%	0.259	31%	0.314	S	S	.	.			trans	-121.6	70.6	179.9	-62.4	-72	0	0	0	111.2	Y265 L269 E270 V271 Y628	Y265-H267 PolarHBondContact O-N 3.05Å; H267-L269 PolarHBondContact O-N 3.37Å; H267-E270 HydrophobicContact CB-CB 4.24Å; H267-E270 HydrophobicContact CB-CG 4.28Å; H267-E270 PolarHBondContact O-N 2.84Å; H267-V271 WeakPolarHBondContact O-CG2 3.15Å; H267-V271 PolarHBondContact O-N 3.49Å; H267-Y628 PolarHBondContact CD2-OH 3.37Å; H267-Y628 AromaticContact CE1-CE1 3.7Å; H267-Y628 AromaticContact CE1-CZ 3.52Å; H267-Y628 PolarHBondContact CE1-OH 3.05Å; H267-Y628 PolarHBondContact ND1-OH 3.02Å; H267-Y628 AromaticContact NE2-CE1 3.17Å; H267-Y628 WeakPolarHBondContact NE2-CE1 3.35Å; H267-Y628 AromaticContact NE2-CZ 3.41Å; H267-Y628 PolarHBondContact NE2-OH 2.67Å
268	P	86.3	Confident	82.8	Confident	25 Å²	25	55 Å²	55	16%	0.162	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-32.4	-174	24.1	-35.2	0	0	0	113.2	N266 R272 H550 L553	N266-P268 VanDerWaalsContact C-CD 3.48Å; N266-P268 WeakPolarHBondContact O-CD 3.46Å; P268-R272 VanDerWaalsContact O-CB 3.27Å; P268-R272 WeakPolarHBondContact O-CB 3.28Å; P268-R272 WeakPolarHBondContact O-CG 3.25Å; P268-R272 PolarHBondContact O-N 2.88Å; P268-H550 WeakPolarHBondContact CA-O 3.31Å; P268-H550 WeakPolarHBondContact CB-O 3.31Å; P268-L553 HydrophobicContact CB-CD2 3.88Å; P268-L553 HydrophobicContact CG-CD2 4.1Å
269	L	88.3	Confident	83.1	Confident	50 Å²	50	52.5 Å²	52.5	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-66.3	-48	179.6	-176.5	62.7	0	0	0	112	H267 V271 R272 A273 L553 F573	H267-L269 PolarHBondContact O-N 3.37Å; L269-V271 VanDerWaalsContact C-N 3.35Å; L269-V271 PolarHBondContact O-N 3.08Å; L269-R272 PolarHBondContact O-N 3.18Å; L269-A273 WeakPolarHBondContact O-CB 3.47Å; L269-A273 PolarHBondContact O-N 2.87Å; L269-L553 HydrophobicContact CB-CD2 3.91Å; L269-L553 HydrophobicContact CD1-CD2 4.21Å; L269-F573 HydrophobicContact CD1-CD1 3.91Å; L269-F573 HydrophobicContact CD1-CE1 4.25Å
270	E	86.9	Confident	83.4	Confident	121 Å²	121	52.4 Å²	52.4	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-64.7	-41.4	179.8	-64.6	175.9	-169.3	0	0	111.1	H267 A273 S274	H267-E270 HydrophobicContact CB-CB 4.24Å; H267-E270 HydrophobicContact CB-CG 4.28Å; H267-E270 PolarHBondContact O-N 2.84Å; E270-A273 PolarHBondContact O-N 3.45Å; E270-S274 PolarHBondContact O-N 3.22Å
271	V	87.7	Confident	84.1	Confident	9 Å²	9	51.2 Å²	51.2	6%	0.055	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-48	176	177.5	0	0	0	0	110.7	M255 M262 L263 H267 L269 S274 V277	M255-V271 HydrophobicContact CE-CG1 4.13Å; M262-V271 HydrophobicContact CB-CG2 4.19Å; L263-V271 HydrophobicContact CD2-CG1 3.98Å; H267-V271 WeakPolarHBondContact O-CG2 3.15Å; H267-V271 PolarHBondContact O-N 3.49Å; L269-V271 VanDerWaalsContact C-N 3.35Å; L269-V271 PolarHBondContact O-N 3.08Å; V271-S274 VanDerWaalsContact O-CB 3.31Å; V271-S274 WeakPolarHBondContact O-CB 3.31Å; V271-S274 PolarHBondContact O-N 3.09Å; V271-V277 HydrophobicContact CG1-CG1 4.34Å; V271-V277 HydrophobicContact CG1-CG2 4.06Å; V271-V277 WeakPolarHBondContact O-CB 3.32Å; V271-V277 WeakPolarHBondContact O-CG1 3.39Å; V271-V277 VanDerWaalsContact O-CG2 3.3Å; V271-V277 WeakPolarHBondContact O-CG2 3.41Å
272	R	89.2	Confident	84.8	Confident	3 Å²	3	47.9 Å²	47.9	1%	0.011	25%	0.248	C	C	.	.	H	α-helix	trans	-73.1	-28.9	-178.7	-70.3	-97.6	-76.2	133.1	0.1	113.3	P268 L269 S274 Q278 Q520 Y522 E523 F573	P268-R272 VanDerWaalsContact O-CB 3.27Å; P268-R272 WeakPolarHBondContact O-CB 3.28Å; P268-R272 WeakPolarHBondContact O-CG 3.25Å; P268-R272 PolarHBondContact O-N 2.88Å; L269-R272 PolarHBondContact O-N 3.18Å; R272-S274 VanDerWaalsContact C-N 3.33Å; R272-Q278 VanDerWaalsContact O-CG 3.26Å; R272-Q278 WeakPolarHBondContact O-CG 3.39Å; R272-Q278 PolarHBondContact O-NE2 3.34Å; R272-Q278 VanDerWaalsContact O-NE2 3.13Å; R272-Q520 VanDerWaalsContact CZ-O 3.23Å; R272-Q520 VanDerWaalsContact NH1-CB 3.27Å; R272-Q520 PolarHBondContact NH1-O 3.4Å; R272-Q520 PolarHBondContact NH2-O 3.18Å; R272-Y522 VanDerWaalsContact CZ-CD2 3.48Å; R272-Y522 VanDerWaalsContact CZ-CE2 3.48Å; R272-E523 IonicContact NH2-OE2 3.22Å; R272-E523 PolarHBondContact NH2-OE2 2.76Å; R272-F573 HydrophobicContact CB-CE1 3.7Å; R272-F573 HydrophobicContact CB-CZ 4.25Å
273	A	87.7	Confident	85.5	Confident	21 Å²	21	46.2 Å²	46.2	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-77.8	-19.6	174.4	0	0	0	0	0	112.6	L269 E270 I275 Q278 P570	L269-A273 WeakPolarHBondContact O-CB 3.47Å; L269-A273 PolarHBondContact O-N 2.87Å; E270-A273 PolarHBondContact O-N 3.45Å; A273-I275 PolarHBondContact O-N 2.84Å; A273-Q278 PolarHBondContact O-NE2 3.18Å; A273-P570 HydrophobicContact CB-CG 4.46Å
274	S	88.4	Confident	86.4	Confident	29 Å²	29	45.4 Å²	45.4	20%	0.203	24%	0.236	C	C	.	.			trans	-59.1	127.4	178.2	177.7	0	0	0	0	111.8	E270 V271 R272 S276 V277 Q278	E270-S274 PolarHBondContact O-N 3.22Å; V271-S274 VanDerWaalsContact O-CB 3.31Å; V271-S274 WeakPolarHBondContact O-CB 3.31Å; V271-S274 PolarHBondContact O-N 3.09Å; R272-S274 VanDerWaalsContact C-N 3.33Å; S274-S276 PolarHBondContact O-N 2.76Å; S274-S276 PolarHBondContact OG-N 3.23Å; S274-V277 PolarHBondContact O-N 3.47Å; S274-V277 VanDerWaalsContact O-N 3.13Å; S274-Q278 PolarHBondContact O-N 2.97Å
275	I	86.4	Confident	87.5	Confident	55 Å²	55	38.7 Å²	38.7	28%	0.282	20%	0.201	S	C	.	.	H	α-helix	trans	-50.6	-43.5	175.3	-173.1	94.1	0	0	0	111.8	A273 V277 N279 A467	A273-I275 PolarHBondContact O-N 2.84Å; I275-V277 VanDerWaalsContact C-N 3.34Å; I275-V277 PolarHBondContact O-N 3.29Å; I275-N279 WeakPolarHBondContact O-CB 3.2Å; I275-N279 PolarHBondContact O-N 2.71Å; I275-N279 PolarHBondContact O-ND2 3.04Å; I275-N279 PolarHBondContact O-OD1 3.4Å; I275-A467 HydrophobicContact CD1-CB 3.21Å; I275-A467 WeakPolarHBondContact CD1-O 3.16Å; I275-A467 HydrophobicContact CG1-CB 3.97Å
276	S	88.2	Confident	88.7	Confident	54 Å²	54	32 Å²	32	38%	0.378	18%	0.175	S	C	.	.	H	α-helix	trans	-67.8	-39.6	-175.5	-162.2	0	0	0	0	111.1	H259 S274 N279 T280	H259-S276 PolarHBondContact CE1-OG 3.11Å; S274-S276 PolarHBondContact O-N 2.76Å; S274-S276 PolarHBondContact OG-N 3.23Å; S276-N279 PolarHBondContact O-N 2.92Å; S276-T280 PolarHBondContact O-N 3.38Å; S276-T280 PolarHBondContact O-OG1 3.28Å; S276-T280 VanDerWaalsContact O-OG1 3.11Å
277	V	89.5	Confident	89.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-70	-46.2	179	171.4	0	0	0	0	110.6	M255 H259 M262 V271 S274 I275 N279 T280 L281	M255-V277 HydrophobicContact CE-CB 4.41Å; M255-V277 HydrophobicContact CE-CG1 3.6Å; M255-V277 HydrophobicContact CE-CG2 4.01Å; M255-V277 HydrophobicContact SD-CG1 3.87Å; H259-V277 HydrophobicContact CB-CG2 4.33Å; M262-V277 HydrophobicContact SD-CG2 4.46Å; V271-V277 HydrophobicContact CG1-CG1 4.34Å; V271-V277 HydrophobicContact CG1-CG2 4.06Å; V271-V277 WeakPolarHBondContact O-CB 3.32Å; V271-V277 WeakPolarHBondContact O-CG1 3.39Å; V271-V277 VanDerWaalsContact O-CG2 3.3Å; V271-V277 WeakPolarHBondContact O-CG2 3.41Å; S274-V277 PolarHBondContact O-N 3.47Å; S274-V277 VanDerWaalsContact O-N 3.13Å; I275-V277 VanDerWaalsContact C-N 3.34Å; I275-V277 PolarHBondContact O-N 3.29Å; V277-N279 PolarHBondContact O-N 3.43Å; V277-T280 PolarHBondContact O-N 3.29Å; V277-T280 VanDerWaalsContact O-N 3.15Å; V277-L281 HydrophobicContact CG1-CD1 3.82Å; V277-L281 HydrophobicContact CG1-CG 4.17Å; V277-L281 WeakPolarHBondContact O-CB 3.4Å; V277-L281 WeakPolarHBondContact O-CG 3.29Å; V277-L281 PolarHBondContact O-N 3.49Å
278	Q	89.8	Confident	90.2	Very high	19 Å²	19	27.9 Å²	27.9	9%	0.089	15%	0.153	C	C	.	.	H	α-helix	trans	-56.9	-39	176.2	-71	-178.2	8	0	0	111.7	R272 A273 S274 S282 L487 Q520	R272-Q278 VanDerWaalsContact O-CG 3.26Å; R272-Q278 WeakPolarHBondContact O-CG 3.39Å; R272-Q278 PolarHBondContact O-NE2 3.34Å; R272-Q278 VanDerWaalsContact O-NE2 3.13Å; A273-Q278 PolarHBondContact O-NE2 3.18Å; S274-Q278 PolarHBondContact O-N 2.97Å; Q278-S282 WeakPolarHBondContact O-CB 3.36Å; Q278-S282 PolarHBondContact O-N 3.26Å; Q278-S282 PolarHBondContact O-OG 2.7Å; Q278-L487 HydrophobicContact CB-CD2 4.5Å; Q278-L487 HydrophobicContact CG-CD2 4.15Å; Q278-Q520 PolarHBondContact O-NE2 2.75Å
279	N	88.9	Confident	90.6	Very high	41 Å²	41	26.8 Å²	26.8	22%	0.219	15%	0.146	C	C	.	.	H	α-helix	trans	-67.6	-45.3	177.1	-64	-20.6	0	0	0	112.1	I275 S276 V277 L281 S282 L283 R406 A467	I275-N279 WeakPolarHBondContact O-CB 3.2Å; I275-N279 PolarHBondContact O-N 2.71Å; I275-N279 PolarHBondContact O-ND2 3.04Å; I275-N279 PolarHBondContact O-OD1 3.4Å; S276-N279 PolarHBondContact O-N 2.92Å; V277-N279 PolarHBondContact O-N 3.43Å; N279-L281 VanDerWaalsContact C-N 3.34Å; N279-L281 PolarHBondContact O-N 3.09Å; N279-S282 PolarHBondContact O-N 3.44Å; N279-L283 WeakPolarHBondContact O-CB 3.38Å; N279-L283 PolarHBondContact O-N 3.3Å; N279-R406 VanDerWaalsContact CG-CZ 3.49Å; N279-R406 PolarHBondContact ND2-NH1 2.93Å; N279-R406 PolarHBondContact OD1-NH1 3.45Å; N279-R406 VanDerWaalsContact OD1-NH1 3.16Å; N279-R406 PolarHBondContact OD1-NH2 2.93Å; N279-A467 WeakPolarHBondContact OD1-CB 3.11Å
280	T	90.3	Very high	90.9	Very high	10 Å²	10	24.8 Å²	24.8	6%	0.061	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-43.1	176	-62.3	0	0	0	0	111.1	H254 M255 E258 H259 S276 V277 L283 C284	H254-T280 HydrophobicContact CB-CG2 3.8Å; M255-T280 HydrophobicContact SD-CG2 4.5Å; E258-T280 WeakPolarHBondContact OE2-CG2 3.48Å; E258-T280 PolarHBondContact OE2-OG1 3.38Å; H259-T280 PolarHBondContact NE2-OG1 3.17Å; S276-T280 PolarHBondContact O-N 3.38Å; S276-T280 PolarHBondContact O-OG1 3.28Å; S276-T280 VanDerWaalsContact O-OG1 3.11Å; V277-T280 PolarHBondContact O-N 3.29Å; V277-T280 VanDerWaalsContact O-N 3.15Å; T280-L283 WeakPolarHBondContact O-CB 3.11Å; T280-L283 PolarHBondContact O-N 3.18Å; T280-C284 PolarHBondContact O-N 3.37Å; T280-C284 PolarHBondContact O-SG 2.93Å
281	L	91.9	Very high	91.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.8	-43	178.3	-67.3	177.2	0	0	0	112.4	I251 M255 V277 N279 L283 C284 S285 Q520 M551	I251-L281 HydrophobicContact CG1-CD2 4.31Å; I251-L281 HydrophobicContact CG2-CD2 3.68Å; M255-L281 HydrophobicContact CG-CD2 4.06Å; M255-L281 HydrophobicContact SD-CD2 3.94Å; M255-L281 HydrophobicContact SD-CG 4.25Å; V277-L281 HydrophobicContact CG1-CD1 3.82Å; V277-L281 HydrophobicContact CG1-CG 4.17Å; V277-L281 WeakPolarHBondContact O-CB 3.4Å; V277-L281 WeakPolarHBondContact O-CG 3.29Å; V277-L281 PolarHBondContact O-N 3.49Å; N279-L281 VanDerWaalsContact C-N 3.34Å; N279-L281 PolarHBondContact O-N 3.09Å; L281-L283 VanDerWaalsContact C-N 3.27Å; L281-L283 PolarHBondContact O-N 2.58Å; L281-C284 WeakPolarHBondContact O-CB 3.47Å; L281-C284 PolarHBondContact O-N 2.85Å; L281-S285 PolarHBondContact O-N 2.91Å; L281-S285 PolarHBondContact O-OG 3.3Å; L281-Q520 HydrophobicContact CB-CG 4.13Å; L281-M551 HydrophobicContact CD1-CE 3.93Å; L281-M551 HydrophobicContact CD2-CE 3.88Å
282	S	91.9	Very high	91.3	Very high	11 Å²	11	24.4 Å²	24.4	8%	0.077	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-39.5	173.1	-68.4	0	0	0	0	111.4	Q278 N279 S285 L286 Q520	Q278-S282 WeakPolarHBondContact O-CB 3.36Å; Q278-S282 PolarHBondContact O-N 3.26Å; Q278-S282 PolarHBondContact O-OG 2.7Å; N279-S282 PolarHBondContact O-N 3.44Å; S282-S285 WeakPolarHBondContact O-CB 3.45Å; S282-S285 PolarHBondContact O-N 3.48Å; S282-L286 WeakPolarHBondContact O-CG 3.27Å; S282-L286 PolarHBondContact O-N 2.93Å; S282-Q520 PolarHBondContact OG-NE2 2.9Å
283	L	91.6	Very high	91.6	Very high	41 Å²	41	24.8 Å²	24.8	22%	0.215	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-41.1	175.3	-176.5	62.8	0	0	0	111.8	N279 T280 L281 S285 L286 Q287	N279-L283 WeakPolarHBondContact O-CB 3.38Å; N279-L283 PolarHBondContact O-N 3.3Å; T280-L283 WeakPolarHBondContact O-CB 3.11Å; T280-L283 PolarHBondContact O-N 3.18Å; L281-L283 VanDerWaalsContact C-N 3.27Å; L281-L283 PolarHBondContact O-N 2.58Å; L283-S285 VanDerWaalsContact C-N 3.31Å; L283-S285 PolarHBondContact O-N 2.95Å; L283-L286 PolarHBondContact O-N 3.07Å; L283-Q287 HydrophobicContact CD1-CG 4.37Å; L283-Q287 HydrophobicContact CG-CG 4.44Å; L283-Q287 WeakPolarHBondContact O-CB 3.25Å; L283-Q287 VanDerWaalsContact O-CG 3.3Å; L283-Q287 WeakPolarHBondContact O-CG 3.31Å; L283-Q287 PolarHBondContact O-N 3.21Å
284	C	93.2	Very high	91.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-43.6	173.6	-66.5	0	0	0	0	111.4	F247 T250 I251 H254 T280 L281 Q287 H288	F247-C284 HydrophobicContact CE2-CB 4.45Å; T250-C284 HydrophobicContact CG2-CB 4.37Å; I251-C284 HydrophobicContact CG1-CB 4.31Å; H254-C284 VanDerWaalsContact CD2-SG 3.59Å; T280-C284 PolarHBondContact O-N 3.37Å; T280-C284 PolarHBondContact O-SG 2.93Å; L281-C284 WeakPolarHBondContact O-CB 3.47Å; L281-C284 PolarHBondContact O-N 2.85Å; C284-Q287 PolarHBondContact O-N 3.32Å; C284-H288 WeakPolarHBondContact O-CB 3.46Å; C284-H288 PolarHBondContact O-N 2.67Å
285	S	94.9	Very high	91.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-43.3	176.3	-60.9	0	0	0	0	112.2	L281 S282 L283 H288 L289 L518	L281-S285 PolarHBondContact O-N 2.91Å; L281-S285 PolarHBondContact O-OG 3.3Å; S282-S285 WeakPolarHBondContact O-CB 3.45Å; S282-S285 PolarHBondContact O-N 3.48Å; L283-S285 VanDerWaalsContact C-N 3.31Å; L283-S285 PolarHBondContact O-N 2.95Å; S285-H288 PolarHBondContact O-N 3.37Å; S285-L289 WeakPolarHBondContact O-CG 3.5Å; S285-L289 PolarHBondContact O-N 2.74Å; S285-L289 VanDerWaalsContact O-N 3.1Å; S285-L518 WeakPolarHBondContact CB-O 3.24Å; S285-L518 WeakPolarHBondContact OG-CA 3.42Å; S285-L518 PolarHBondContact OG-O 3.25Å
286	L	94.7	Very high	92.1	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.073	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-46.7	176.9	-69.3	173.3	0	0	0	111.8	S282 L283 H288 L289 E290 W459 I462 S463	S282-L286 WeakPolarHBondContact O-CG 3.27Å; S282-L286 PolarHBondContact O-N 2.93Å; L283-L286 PolarHBondContact O-N 3.07Å; L286-H288 VanDerWaalsContact C-N 3.26Å; L286-H288 PolarHBondContact O-N 3.11Å; L286-L289 PolarHBondContact O-N 3.34Å; L286-E290 VanDerWaalsContact O-CB 3.28Å; L286-E290 WeakPolarHBondContact O-CB 3.5Å; L286-E290 WeakPolarHBondContact O-CG 3.49Å; L286-E290 PolarHBondContact O-N 3.45Å; L286-W459 HydrophobicContact CD2-CG 4.05Å; L286-W459 WeakPolarHBondContact CD2-O 3.16Å; L286-I462 HydrophobicContact CD1-CG2 4.32Å; L286-I462 HydrophobicContact CD2-CB 3.99Å; L286-I462 HydrophobicContact CD2-CG2 3.79Å; L286-I462 HydrophobicContact CG-CG2 3.78Å; L286-S463 VanDerWaalsContact CD2-OG 3.3Å; L286-S463 WeakPolarHBondContact CD2-OG 3.42Å
287	Q	93.2	Very high	92.2	Very high	60 Å²	60	29.3 Å²	29.3	28%	0.28	15%	0.15	S	C	.	.	H	α-helix	trans	-60.9	-36.6	178.2	-74.2	175.8	-1.9	0	0	112.4	L283 C284 S291	L283-Q287 HydrophobicContact CD1-CG 4.37Å; L283-Q287 HydrophobicContact CG-CG 4.44Å; L283-Q287 WeakPolarHBondContact O-CB 3.25Å; L283-Q287 VanDerWaalsContact O-CG 3.3Å; L283-Q287 WeakPolarHBondContact O-CG 3.31Å; L283-Q287 PolarHBondContact O-N 3.21Å; C284-Q287 PolarHBondContact O-N 3.32Å; Q287-S291 WeakPolarHBondContact O-CB 3.25Å; Q287-S291 PolarHBondContact O-N 2.95Å; Q287-S291 PolarHBondContact O-OG 3.01Å
288	H	94.7	Very high	92.2	Very high	22 Å²	22	34.8 Å²	34.8	10%	0.102	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-55.3	174.5	179.9	71.9	0	0	0	111.1	E243 F247 C284 S285 L286 E290 S291 E292 L518	E243-H288 IonicContact OE1-CE1 3.85Å; E243-H288 IonicContact OE1-NE2 3.65Å; E243-H288 PolarHBondContact OE1-NE2 3.28Å; F247-H288 HydrophobicContact CD2-CB 3.88Å; F247-H288 AromaticContact CD2-CG 3.83Å; F247-H288 HydrophobicContact CE2-CB 4.14Å; C284-H288 WeakPolarHBondContact O-CB 3.46Å; C284-H288 PolarHBondContact O-N 2.67Å; S285-H288 PolarHBondContact O-N 3.37Å; L286-H288 VanDerWaalsContact C-N 3.26Å; L286-H288 PolarHBondContact O-N 3.11Å; H288-E290 PolarHBondContact O-N 2.89Å; H288-S291 PolarHBondContact O-N 3.48Å; H288-S291 VanDerWaalsContact O-N 3.13Å; H288-E292 IonicContact CD2-OE2 2.75Å; H288-E292 IonicContact NE2-OE2 3.21Å; H288-E292 PolarHBondContact O-N 2.9Å; H288-E292 VanDerWaalsContact O-N 3.09Å; H288-L518 HydrophobicContact CB-CD2 4.46Å
289	L	94.8	Very high	92.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-30.1	178.2	-68.3	174.3	0	0	0	113.2	S285 L286 F293 R372 D455 L458 W459 I462 L518	S285-L289 WeakPolarHBondContact O-CG 3.5Å; S285-L289 PolarHBondContact O-N 2.74Å; S285-L289 VanDerWaalsContact O-N 3.1Å; L286-L289 PolarHBondContact O-N 3.34Å; L289-F293 VanDerWaalsContact O-CB 3.29Å; L289-F293 WeakPolarHBondContact O-CB 3.36Å; L289-F293 PolarHBondContact O-N 3.11Å; L289-F293 VanDerWaalsContact O-N 3.09Å; L289-R372 PolarHBondContact O-NH1 3.28Å; L289-D455 HydrophobicContact CD2-CB 3.95Å; L289-L458 HydrophobicContact CD1-CB 4.04Å; L289-W459 HydrophobicContact CB-CB 4.43Å; L289-W459 HydrophobicContact CD1-CB 3.94Å; L289-I462 HydrophobicContact CD1-CD1 4.31Å; L289-L518 HydrophobicContact CD1-CD1 4.26Å; L289-L518 HydrophobicContact CD2-CD1 3.75Å; L289-L518 HydrophobicContact CG-CD1 4.09Å
290	E	95	Very high	92.3	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-71.6	-41.8	175	-78.3	158.6	-168.4	0	0	112.2	L286 H288 E292 F293 L294 R372 G374 R405 W459	L286-E290 VanDerWaalsContact O-CB 3.28Å; L286-E290 WeakPolarHBondContact O-CB 3.5Å; L286-E290 WeakPolarHBondContact O-CG 3.49Å; L286-E290 PolarHBondContact O-N 3.45Å; H288-E290 PolarHBondContact O-N 2.89Å; E290-E292 VanDerWaalsContact C-N 3.35Å; E290-F293 PolarHBondContact O-N 3.36Å; E290-L294 VanDerWaalsContact O-CB 3.31Å; E290-L294 WeakPolarHBondContact O-CB 3.44Å; E290-L294 PolarHBondContact O-N 3.2Å; E290-R372 WeakPolarHBondContact CG-O 3.44Å; E290-G374 VanDerWaalsContact OE2-CA 3.23Å; E290-G374 WeakPolarHBondContact OE2-CA 3.37Å; E290-R405 IonicContact OE1-CZ 2.7Å; E290-R405 IonicContact OE1-NH1 3.03Å; E290-R405 PolarHBondContact OE1-NH1 2.93Å; E290-R405 IonicContact OE1-NH2 3.91Å; E290-R405 IonicContact OE2-CZ 2.62Å; E290-R405 VanDerWaalsContact OE2-CZ 3.28Å; E290-R405 IonicContact OE2-NH1 3.51Å; E290-R405 PolarHBondContact OE2-NH1 3.49Å; E290-R405 IonicContact OE2-NH2 2.73Å; E290-R405 PolarHBondContact OE2-NH2 3.43Å; E290-W459 PolarHBondContact OE1-NE1 3.15Å
291	S	93.1	Very high	92.1	Very high	76 Å²	76	37.1 Å²	37.1	53%	0.531	19%	0.186	S	C	.	.	H	α-helix	trans	-64.1	-43.4	178.2	-61.4	0	0	0	0	110.9	Q287 H288 L294 E295	Q287-S291 WeakPolarHBondContact O-CB 3.25Å; Q287-S291 PolarHBondContact O-N 2.95Å; Q287-S291 PolarHBondContact O-OG 3.01Å; H288-S291 PolarHBondContact O-N 3.48Å; H288-S291 VanDerWaalsContact O-N 3.13Å; S291-L294 PolarHBondContact O-N 3.17Å; S291-E295 PolarHBondContact O-N 3.4Å
292	E	90.8	Very high	91.9	Very high	46 Å²	46	40.4 Å²	40.4	22%	0.215	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-43.9	175	-69.6	-172.3	99.4	0	0	112.2	E243 H288 E290 L294 E295 F296 K514	E243-E292 VanDerWaalsContact OE1-OE1 3.09Å; H288-E292 IonicContact CD2-OE2 2.75Å; H288-E292 IonicContact NE2-OE2 3.21Å; H288-E292 PolarHBondContact O-N 2.9Å; H288-E292 VanDerWaalsContact O-N 3.09Å; E290-E292 VanDerWaalsContact C-N 3.35Å; E292-L294 VanDerWaalsContact C-N 3.3Å; E292-L294 PolarHBondContact O-N 3.32Å; E292-E295 PolarHBondContact O-N 3.43Å; E292-F296 WeakPolarHBondContact O-CB 3.39Å; E292-F296 PolarHBondContact O-N 3.26Å; E292-K514 IonicContact OE1-NZ 3.61Å; E292-K514 PolarHBondContact OE1-NZ 3.38Å; E292-K514 WeakPolarHBondContact OE2-CE 3.3Å; E292-K514 IonicContact OE2-NZ 2.72Å; E292-K514 PolarHBondContact OE2-NZ 3.09Å
293	F	93.8	Very high	91.7	Very high	12 Å²	12	45.6 Å²	45.6	5%	0.053	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-39.7	177	-175.8	-105.6	0	0	0	111.7	L289 E290 E295 F296 L297 Y369 R372 T373	L289-F293 VanDerWaalsContact O-CB 3.29Å; L289-F293 WeakPolarHBondContact O-CB 3.36Å; L289-F293 PolarHBondContact O-N 3.11Å; L289-F293 VanDerWaalsContact O-N 3.09Å; E290-F293 PolarHBondContact O-N 3.36Å; F293-E295 VanDerWaalsContact C-N 3.32Å; F293-E295 PolarHBondContact O-N 2.98Å; F293-F296 HydrophobicContact CD2-CD1 4.12Å; F293-F296 AromaticContact CE2-CD1 3.99Å; F293-F296 HydrophobicContact CE2-CD1 3.99Å; F293-F296 HydrophobicContact CE2-CE1 4.33Å; F293-F296 WeakPolarHBondContact O-CB 3.45Å; F293-F296 PolarHBondContact O-N 2.96Å; F293-L297 HydrophobicContact CD1-CD1 4.05Å; F293-L297 HydrophobicContact CD1-CG 4.14Å; F293-L297 HydrophobicContact CE1-CD1 3.6Å; F293-L297 HydrophobicContact CE1-CD2 4Å; F293-L297 HydrophobicContact CE1-CG 3.76Å; F293-L297 HydrophobicContact CE2-CD2 4.4Å; F293-L297 HydrophobicContact CZ-CD1 4.24Å; F293-L297 HydrophobicContact CZ-CD2 3.76Å; F293-L297 HydrophobicContact CZ-CG 3.98Å; F293-L297 WeakPolarHBondContact O-CG 3.45Å; F293-L297 PolarHBondContact O-N 3.5Å; F293-Y369 AromaticContact CE1-CD1 3.92Å; F293-Y369 HydrophobicContact CE1-CD1 3.92Å; F293-Y369 AromaticContact CZ-CD1 3.55Å; F293-Y369 HydrophobicContact CZ-CD1 3.55Å; F293-Y369 AromaticContact CZ-CE1 3.79Å; F293-Y369 HydrophobicContact CZ-CE1 3.79Å; F293-R372 HydrophobicContact CD1-CB 4.28Å; F293-R372 HydrophobicContact CD1-CG 3.54Å; F293-R372 HydrophobicContact CD2-CG 4.36Å; F293-R372 HydrophobicContact CE1-CB 4.08Å; F293-R372 HydrophobicContact CE1-CG 3.55Å; F293-R372 HydrophobicContact CE2-CG 4.38Å; F293-R372 HydrophobicContact CG-CG 3.97Å; F293-R372 HydrophobicContact CZ-CG 4.01Å; F293-T373 HydrophobicContact CD1-CG2 3.92Å; F293-T373 HydrophobicContact CE1-CG2 4.07Å
294	L	92.3	Very high	91.4	Very high	39 Å²	39	47.8 Å²	47.8	20%	0.204	25%	0.25	C	S	.	.	H	α-helix	trans	-62.9	-38.8	174.9	-178.2	64.2	0	0	0	111.8	E290 S291 E292 L297 K298 T316 L319 T373	E290-L294 VanDerWaalsContact O-CB 3.31Å; E290-L294 WeakPolarHBondContact O-CB 3.44Å; E290-L294 PolarHBondContact O-N 3.2Å; S291-L294 PolarHBondContact O-N 3.17Å; E292-L294 VanDerWaalsContact C-N 3.3Å; E292-L294 PolarHBondContact O-N 3.32Å; L294-L297 PolarHBondContact O-N 3.07Å; L294-K298 VanDerWaalsContact O-CG 3.32Å; L294-K298 WeakPolarHBondContact O-CG 3.27Å; L294-K298 PolarHBondContact O-N 3.46Å; L294-K298 VanDerWaalsContact O-N 3.08Å; L294-T316 HydrophobicContact CD1-CG2 4.43Å; L294-L319 HydrophobicContact CD1-CD2 3.76Å; L294-T373 HydrophobicContact CD1-CG2 4.2Å
295	E	91.2	Very high	90.7	Very high	122 Å²	122	51.8 Å²	51.8	57%	0.57	28%	0.276	S	S	*	.	H	α-helix	trans	-65.8	-44.4	173.6	-175	165.4	-166.5	0	0	111.8	S291 E292 F293 L297 K298 I299	S291-E295 PolarHBondContact O-N 3.4Å; E292-E295 PolarHBondContact O-N 3.43Å; F293-E295 VanDerWaalsContact C-N 3.32Å; F293-E295 PolarHBondContact O-N 2.98Å; E295-L297 VanDerWaalsContact C-N 3.33Å; E295-L297 PolarHBondContact O-N 3.48Å; E295-K298 WeakPolarHBondContact O-CB 3.49Å; E295-K298 PolarHBondContact O-N 2.69Å; E295-K298 VanDerWaalsContact O-N 3.15Å; E295-I299 HydrophobicContact CG-CD1 3.9Å; E295-I299 WeakPolarHBondContact O-CG1 3.26Å; E295-I299 PolarHBondContact O-N 3.36Å
296	F	91.4	Very high	90	Very high	93 Å²	93	63 Å²	63	41%	0.408	32%	0.318	S	S	.	.	H	α-helix	trans	-56.8	-43.8	173.1	167.4	-100.4	0	0	0	112.3	E292 F293 I299 T300 Y323	E292-F296 WeakPolarHBondContact O-CB 3.39Å; E292-F296 PolarHBondContact O-N 3.26Å; F293-F296 HydrophobicContact CD2-CD1 4.12Å; F293-F296 AromaticContact CE2-CD1 3.99Å; F293-F296 HydrophobicContact CE2-CD1 3.99Å; F293-F296 HydrophobicContact CE2-CE1 4.33Å; F293-F296 WeakPolarHBondContact O-CB 3.45Å; F293-F296 PolarHBondContact O-N 2.96Å; F296-I299 PolarHBondContact O-N 3.34Å; F296-T300 WeakPolarHBondContact CE2-OG1 3.36Å; F296-T300 WeakPolarHBondContact CZ-OG1 3.41Å; F296-T300 VanDerWaalsContact O-CB 3.32Å; F296-T300 WeakPolarHBondContact O-CB 3.45Å; F296-T300 PolarHBondContact O-N 2.72Å; F296-T300 PolarHBondContact O-OG1 3.37Å; F296-Y323 AromaticContact CE1-CE2 3.98Å; F296-Y323 HydrophobicContact CE1-CE2 3.98Å
297	L	89.6	Confident	89.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-45.7	175.7	-72.9	-173.9	0	0	0	111.5	F293 L294 E295 I299 T300 V301 L319 V320 Y323 T373	F293-L297 HydrophobicContact CD1-CD1 4.05Å; F293-L297 HydrophobicContact CD1-CG 4.14Å; F293-L297 HydrophobicContact CE1-CD1 3.6Å; F293-L297 HydrophobicContact CE1-CD2 4Å; F293-L297 HydrophobicContact CE1-CG 3.76Å; F293-L297 HydrophobicContact CE2-CD2 4.4Å; F293-L297 HydrophobicContact CZ-CD1 4.24Å; F293-L297 HydrophobicContact CZ-CD2 3.76Å; F293-L297 HydrophobicContact CZ-CG 3.98Å; F293-L297 WeakPolarHBondContact O-CG 3.45Å; F293-L297 PolarHBondContact O-N 3.5Å; L294-L297 PolarHBondContact O-N 3.07Å; E295-L297 VanDerWaalsContact C-N 3.33Å; E295-L297 PolarHBondContact O-N 3.48Å; L297-I299 PolarHBondContact O-N 3.49Å; L297-T300 PolarHBondContact O-N 2.77Å; L297-V301 WeakPolarHBondContact O-CB 3.34Å; L297-V301 WeakPolarHBondContact O-CG2 3.3Å; L297-V301 PolarHBondContact O-N 3.47Å; L297-L319 HydrophobicContact CB-CD2 3.89Å; L297-L319 HydrophobicContact CB-CG 4.21Å; L297-V320 HydrophobicContact CD1-CG2 4.17Å; L297-Y323 HydrophobicContact CD2-CD1 3.62Å; L297-Y323 HydrophobicContact CD2-CD2 3.42Å; L297-Y323 VanDerWaalsContact CD2-CD2 3.42Å; L297-Y323 HydrophobicContact CD2-CE1 3.99Å; L297-Y323 HydrophobicContact CD2-CE2 3.8Å; L297-Y323 HydrophobicContact CD2-CG 3.32Å; L297-T373 HydrophobicContact CD1-CG2 3.45Å; L297-T373 VanDerWaalsContact CD1-CG2 3.45Å
298	K	90.1	Very high	88.2	Confident	115 Å²	115	64.7 Å²	64.7	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-59.9	-46.4	177.9	-72.7	168.5	-176.1	167.3	0	111.3	L294 E295 A302 L319	L294-K298 VanDerWaalsContact O-CG 3.32Å; L294-K298 WeakPolarHBondContact O-CG 3.27Å; L294-K298 PolarHBondContact O-N 3.46Å; L294-K298 VanDerWaalsContact O-N 3.08Å; E295-K298 WeakPolarHBondContact O-CB 3.49Å; E295-K298 PolarHBondContact O-N 2.69Å; E295-K298 VanDerWaalsContact O-N 3.15Å; K298-A302 WeakPolarHBondContact O-CB 3.35Å; K298-A302 PolarHBondContact O-N 3.02Å; K298-L319 HydrophobicContact CG-CD1 4.43Å; K298-L319 HydrophobicContact CG-CD2 3.76Å
299	I	90.5	Very high	87.1	Confident	85 Å²	85	71 Å²	71	44%	0.436	35%	0.352	S	S	.	.	H	α-helix	trans	-64	-46.1	179.5	-67.2	167.3	0	0	0	110.3	E295 F296 L297 V301 A302 N303	E295-I299 HydrophobicContact CG-CD1 3.9Å; E295-I299 WeakPolarHBondContact O-CG1 3.26Å; E295-I299 PolarHBondContact O-N 3.36Å; F296-I299 PolarHBondContact O-N 3.34Å; L297-I299 PolarHBondContact O-N 3.49Å; I299-V301 PolarHBondContact O-N 3.35Å; I299-A302 PolarHBondContact O-N 3.25Å; I299-N303 WeakPolarHBondContact O-CB 3.4Å; I299-N303 PolarHBondContact O-N 2.81Å; I299-N303 PolarHBondContact O-ND2 3.44Å
300	T	88.6	Confident	86	Confident	26 Å²	26	74.2 Å²	74.2	16%	0.16	37%	0.368	C	S	.	.	H	α-helix	trans	-63.7	-44.6	-177.7	-59.5	0	0	0	0	111.7	F296 L297 N303 Q304 Y323 L326	F296-T300 WeakPolarHBondContact CE2-OG1 3.36Å; F296-T300 WeakPolarHBondContact CZ-OG1 3.41Å; F296-T300 VanDerWaalsContact O-CB 3.32Å; F296-T300 WeakPolarHBondContact O-CB 3.45Å; F296-T300 PolarHBondContact O-N 2.72Å; F296-T300 PolarHBondContact O-OG1 3.37Å; L297-T300 PolarHBondContact O-N 2.77Å; T300-N303 PolarHBondContact O-N 3.47Å; T300-Q304 PolarHBondContact O-N 2.99Å; T300-Y323 HydrophobicContact CG2-CD2 4.01Å; T300-Y323 HydrophobicContact CG2-CE2 3.99Å; T300-L326 HydrophobicContact CG2-CD2 3.84Å
301	V	87.2	Confident	85	Confident	7 Å²	7	76.4 Å²	76.4	4%	0.042	39%	0.394	C	S	.	.	H	α-helix	trans	-67.3	-39.4	176.8	168.8	0	0	0	0	111.3	L297 I299 N303 Q304 A308 L310 L319 A322	L297-V301 WeakPolarHBondContact O-CB 3.34Å; L297-V301 WeakPolarHBondContact O-CG2 3.3Å; L297-V301 PolarHBondContact O-N 3.47Å; I299-V301 PolarHBondContact O-N 3.35Å; V301-N303 VanDerWaalsContact C-N 3.29Å; V301-N303 PolarHBondContact O-N 3.14Å; V301-Q304 CarbonylContact O-C 3.28Å; V301-Q304 PolarHBondContact O-N 3.15Å; V301-A308 HydrophobicContact CB-CB 4.48Å; V301-A308 HydrophobicContact CG1-CB 3.85Å; V301-A308 HydrophobicContact CG2-CB 4.46Å; V301-L310 HydrophobicContact CG1-CD1 4.31Å; V301-L319 HydrophobicContact CB-CD1 3.88Å; V301-L319 HydrophobicContact CG1-CD1 4.09Å; V301-L319 HydrophobicContact CG2-CD1 3.82Å; V301-A322 HydrophobicContact CG1-CB 4.09Å; V301-A322 HydrophobicContact CG2-CB 4.11Å
302	A	86.9	Confident	84	Confident	70 Å²	70	76.8 Å²	76.8	58%	0.579	41%	0.409	S	S	*	.	H	α-helix	trans	-65.9	-30.6	176.4	0	0	0	0	0	112.9	K298 I299 Q304 P305	K298-A302 WeakPolarHBondContact O-CB 3.35Å; K298-A302 PolarHBondContact O-N 3.02Å; I299-A302 PolarHBondContact O-N 3.25Å; A302-Q304 VanDerWaalsContact C-N 3.32Å; A302-P305 WeakPolarHBondContact O-CD 3.39Å
303	N	87.4	Confident	83.2	Confident	120 Å²	120	84.5 Å²	84.5	64%	0.642	44%	0.436	S	S	*	.	H	α-helix	trans	-70.6	-27.4	176.2	-72.6	-23.4	0	0	0	112.6	I299 T300 V301	I299-N303 WeakPolarHBondContact O-CB 3.4Å; I299-N303 PolarHBondContact O-N 2.81Å; I299-N303 PolarHBondContact O-ND2 3.44Å; T300-N303 PolarHBondContact O-N 3.47Å; V301-N303 VanDerWaalsContact C-N 3.29Å; V301-N303 PolarHBondContact O-N 3.14Å
304	Q	85.6	Confident	82.4	Confident	87 Å²	87	90.3 Å²	90.3	41%	0.407	48%	0.475	S	S	.	.	S	Bend	trans	-133	61.4	-178.1	-59.3	-167.4	9.3	0	0	113.1	T300 V301 A302 R306 L307 A308 L326	T300-Q304 PolarHBondContact O-N 2.99Å; V301-Q304 CarbonylContact O-C 3.28Å; V301-Q304 PolarHBondContact O-N 3.15Å; A302-Q304 VanDerWaalsContact C-N 3.32Å; Q304-R306 VanDerWaalsContact C-N 3.31Å; Q304-R306 PolarHBondContact O-N 3.48Å; Q304-L307 PolarHBondContact O-N 2.84Å; Q304-A308 VanDerWaalsContact O-CB 3.26Å; Q304-A308 WeakPolarHBondContact O-CB 3.36Å; Q304-A308 PolarHBondContact O-N 3.25Å; Q304-L326 HydrophobicContact CB-CD2 4.41Å
305	P	79.8	Confident	82	Confident	84 Å²	84	90.6 Å²	90.6	55%	0.545	49%	0.488	S	S	.	.	H	α-helix	trans	-67.9	-29.5	-169.9	27.3	-34.7	0	0	0	113.2	A302 R309	A302-P305 WeakPolarHBondContact O-CD 3.39Å; P305-R309 PolarHBondContact O-N 3.05Å
306	R	78.5	Confident	81.8	Confident	235 Å²	235	85.9 Å²	85.9	89%	0.887	47%	0.467	S	S	*	.	H	α-helix	trans	-68.7	-41.2	-178.4	-65.9	-175.4	-178	176.7	1	112.5	Q304	Q304-R306 VanDerWaalsContact C-N 3.31Å; Q304-R306 PolarHBondContact O-N 3.48Å
307	L	77.1	Confident	81.7	Confident	110 Å²	110	83.8 Å²	83.8	58%	0.576	46%	0.456	S	S	*	.	H	α-helix	trans	-80	-37.4	178.3	-65.2	176.7	0	0	0	111.2	Q304 R309 L326	Q304-L307 PolarHBondContact O-N 2.84Å; L307-R309 PolarHBondContact O-N 3.37Å; L307-L326 HydrophobicContact CB-CD1 4.44Å; L307-L326 HydrophobicContact CD1-CD1 4.28Å
308	A	72.9	Confident	81.6	Confident	1 Å²	1	84.3 Å²	84.3	1%	0.008	46%	0.46	C	S	.	.	H	α-helix	trans	-67.4	-22.4	-177.1	0	0	0	0	0	113.5	V301 Q304 L310 A322 S325	V301-A308 HydrophobicContact CB-CB 4.48Å; V301-A308 HydrophobicContact CG1-CB 3.85Å; V301-A308 HydrophobicContact CG2-CB 4.46Å; Q304-A308 VanDerWaalsContact O-CB 3.26Å; Q304-A308 WeakPolarHBondContact O-CB 3.36Å; Q304-A308 PolarHBondContact O-N 3.25Å; A308-L310 PolarHBondContact O-N 2.99Å; A308-A322 WeakPolarHBondContact CA-O 3.17Å; A308-A322 HydrophobicContact CB-CB 3.99Å; A308-A322 WeakPolarHBondContact CB-O 3.48Å; A308-A322 WeakPolarHBondContact O-CA 3.33Å; A308-A322 WeakPolarHBondContact O-CB 3.37Å; A308-S325 PolarHBondContact O-OG 3.2Å
309	R	73.2	Confident	81.5	Confident	155 Å²	155	79.7 Å²	79.7	59%	0.585	44%	0.441	S	S	*	.			trans	43.9	44	175.8	-62.3	-179.4	-178.9	-179.5	2.8	113.1	P305 L307 G311 N332	P305-R309 PolarHBondContact O-N 3.05Å; L307-R309 PolarHBondContact O-N 3.37Å; R309-G311 PolarHBondContact O-N 3.44Å; R309-N332 PolarHBondContact NH1-OD1 3.5Å; R309-N332 PolarHBondContact NH2-OD1 3.26Å
310	L	71.7	Confident	81.5	Confident	67 Å²	67	75.7 Å²	75.7	35%	0.351	42%	0.42	S	S	.	.			trans	-47.3	-35.8	-173.3	-175.8	68.1	0	0	0	112.9	V301 A308 S318 L319 R321 A322	V301-L310 HydrophobicContact CG1-CD1 4.31Å; A308-L310 PolarHBondContact O-N 2.99Å; L310-S318 WeakPolarHBondContact CD1-O 3.41Å; L310-L319 HydrophobicContact CD1-CB 4.42Å; L310-L319 HydrophobicContact CD1-CD1 4.37Å; L310-R321 PolarHBondContact O-NH2 3.26Å; L310-R321 VanDerWaalsContact O-NH2 3.08Å; L310-A322 HydrophobicContact CB-CB 4.19Å; L310-A322 HydrophobicContact CD1-CB 3.66Å
311	G	72.9	Confident	81.4	Confident	55 Å²	55	77.8 Å²	77.8	57%	0.567	43%	0.425	S	S	*	.			trans	76.9	-171	-176.9	0	0	0	0	0	111.5	R309	R309-G311 PolarHBondContact O-N 3.44Å
312	G	73.5	Confident	81.3	Confident	83 Å²	83	77.5 Å²	77.5	86%	0.856	42%	0.423	S	S	*	.	S	Bend	trans	-95.8	1	-172	0	0	0	0	0	116.3	P314	G312-P314 WeakPolarHBondContact O-CD 3.45Å
313	R	72.9	Confident	81.4	Confident	209 Å²	209	75 Å²	75	79%	0.789	40%	0.399	S	S	*	.			trans	-96.5	112	179.8	-68.7	-173.2	-178.1	174.2	0.9	109.6	S318	R313-S318 WeakPolarHBondContact O-CB 3.2Å; R313-S318 PolarHBondContact O-OG 3.49Å
314	P	76.2	Confident	81.3	Confident	134 Å²	134	69.3 Å²	69.3	87%	0.87	37%	0.369	S	S	*	.			trans	-68.7	141.4	172	29.4	-33.3	0	0	0	109.9	G312	G312-P314 WeakPolarHBondContact O-CD 3.45Å
315	G	84.5	Confident	81.1	Confident	45 Å²	45	66.5 Å²	66.5	46%	0.464	36%	0.359	S	S	.	.	S	Bend	trans	152.8	162.6	176	0	0	0	0	0	112.6	R317 S318 L319	G315-R317 PolarHBondContact O-N 3.15Å; G315-S318 PolarHBondContact O-N 2.92Å; G315-S318 PolarHBondContact O-OG 3.27Å; G315-L319 PolarHBondContact O-N 2.91Å
316	T	87.6	Confident	81.1	Confident	22 Å²	22	64.7 Å²	64.7	14%	0.135	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-36.9	179.2	-44.5	0	0	0	0	111.4	L294 S318 L319 V320 T373 D375	L294-T316 HydrophobicContact CD1-CG2 4.43Å; T316-S318 PolarHBondContact O-N 2.9Å; T316-L319 PolarHBondContact O-N 3.46Å; T316-V320 HydrophobicContact CG2-CG2 4.33Å; T316-V320 WeakPolarHBondContact O-CG2 3.42Å; T316-V320 PolarHBondContact O-N 2.96Å; T316-T373 HydrophobicContact CG2-CG2 4.12Å; T316-T373 VanDerWaalsContact CG2-OG1 3.23Å; T316-T373 WeakPolarHBondContact CG2-OG1 3.44Å; T316-D375 VanDerWaalsContact CB-OD2 3.25Å; T316-D375 WeakPolarHBondContact CB-OD2 3.32Å; T316-D375 HydrophobicContact CG2-CB 3.9Å; T316-D375 PolarHBondContact OG1-OD2 3.18Å
317	R	89.1	Confident	81.1	Confident	49 Å²	49	57.6 Å²	57.6	19%	0.185	32%	0.317	C	S	.	.	H	α-helix	trans	-58.8	-48.7	178	-166.4	174.5	166.2	161.6	-3.5	112.4	G315 L319 R321 D359 M366 V378 V382 D385	G315-R317 PolarHBondContact O-N 3.15Å; R317-L319 VanDerWaalsContact C-N 3.34Å; R317-R321 WeakPolarHBondContact O-CB 3.38Å; R317-R321 PolarHBondContact O-N 2.99Å; R317-D359 IonicContact CZ-OD1 3.42Å; R317-D359 IonicContact CZ-OD2 3.89Å; R317-D359 VanDerWaalsContact CZ-OD2 3.26Å; R317-D359 IonicContact NE-OD2 2.85Å; R317-D359 PolarHBondContact NE-OD2 3.25Å; R317-D359 VanDerWaalsContact NH2-CG 3.28Å; R317-D359 IonicContact NH2-OD1 3.8Å; R317-D359 PolarHBondContact NH2-OD1 3.12Å; R317-D359 IonicContact NH2-OD2 3.59Å; R317-D359 PolarHBondContact NH2-OD2 2.92Å; R317-M366 HydrophobicContact CB-CE 4.36Å; R317-M366 HydrophobicContact CG-CE 3.42Å; R317-M366 VanDerWaalsContact CG-CE 3.42Å; R317-M366 VanDerWaalsContact O-CE 3.27Å; R317-M366 WeakPolarHBondContact O-CE 3.33Å; R317-V378 HydrophobicContact CB-CG1 3.6Å; R317-V378 HydrophobicContact CG-CG1 4.26Å; R317-V382 HydrophobicContact CG-CG2 3.99Å; R317-D385 IonicContact CZ-OD2 2.86Å; R317-D385 IonicContact NH1-OD2 3.16Å; R317-D385 PolarHBondContact NH1-OD2 3.15Å; R317-D385 IonicContact NH2-OD2 3.33Å; R317-D385 PolarHBondContact NH2-OD2 2.88Å
318	S	87.8	Confident	80.7	Confident	12 Å²	12	52.4 Å²	52.4	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-36.7	-179.5	56.7	0	0	0	0	111.5	L310 R313 G315 T316 A322	L310-S318 WeakPolarHBondContact CD1-O 3.41Å; R313-S318 WeakPolarHBondContact O-CB 3.2Å; R313-S318 PolarHBondContact O-OG 3.49Å; G315-S318 PolarHBondContact O-N 2.92Å; G315-S318 PolarHBondContact O-OG 3.27Å; T316-S318 PolarHBondContact O-N 2.9Å; S318-A322 VanDerWaalsContact O-CB 3.23Å; S318-A322 WeakPolarHBondContact O-CB 3.38Å; S318-A322 PolarHBondContact O-N 3.5Å
319	L	88.7	Confident	79.8	Confident	18 Å²	18	55.5 Å²	55.5	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-47.8	175.9	-176	69.6	0	0	0	112.1	L294 L297 K298 V301 L310 G315 T316 R317 A322 Y323	L294-L319 HydrophobicContact CD1-CD2 3.76Å; L297-L319 HydrophobicContact CB-CD2 3.89Å; L297-L319 HydrophobicContact CB-CG 4.21Å; K298-L319 HydrophobicContact CG-CD1 4.43Å; K298-L319 HydrophobicContact CG-CD2 3.76Å; V301-L319 HydrophobicContact CB-CD1 3.88Å; V301-L319 HydrophobicContact CG1-CD1 4.09Å; V301-L319 HydrophobicContact CG2-CD1 3.82Å; L310-L319 HydrophobicContact CD1-CB 4.42Å; L310-L319 HydrophobicContact CD1-CD1 4.37Å; G315-L319 PolarHBondContact O-N 2.91Å; T316-L319 PolarHBondContact O-N 3.46Å; R317-L319 VanDerWaalsContact C-N 3.34Å; L319-A322 WeakPolarHBondContact O-CB 3.46Å; L319-A322 PolarHBondContact O-N 2.85Å; L319-Y323 PolarHBondContact O-N 3.25Å
320	V	89	Confident	78.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-45.4	177.5	170.2	0	0	0	0	110.6	L297 T316 A322 Y323 L324 M366 Y369 T373	L297-V320 HydrophobicContact CD1-CG2 4.17Å; T316-V320 HydrophobicContact CG2-CG2 4.33Å; T316-V320 WeakPolarHBondContact O-CG2 3.42Å; T316-V320 PolarHBondContact O-N 2.96Å; V320-A322 VanDerWaalsContact C-N 3.26Å; V320-A322 PolarHBondContact O-N 3.29Å; V320-Y323 PolarHBondContact O-N 2.76Å; V320-L324 HydrophobicContact CG1-CD1 3.8Å; V320-L324 HydrophobicContact CG1-CG 4.27Å; V320-L324 WeakPolarHBondContact O-CB 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.49Å; V320-L324 PolarHBondContact O-N 2.87Å; V320-M366 HydrophobicContact CB-CE 4.41Å; V320-M366 HydrophobicContact CB-SD 4.44Å; V320-M366 HydrophobicContact CG1-CE 4.34Å; V320-M366 HydrophobicContact CG1-SD 3.79Å; V320-Y369 VanDerWaalsContact CG1-CB 3.5Å; V320-T373 HydrophobicContact CG2-CG2 4.21Å
321	R	87.3	Confident	77	Confident	71 Å²	71	52.2 Å²	52.2	27%	0.268	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-42.9	174.6	-177.3	-174.3	65.4	-179.2	-1.5	111.7	L310 R317 L324 S325 V361 M366	L310-R321 PolarHBondContact O-NH2 3.26Å; L310-R321 VanDerWaalsContact O-NH2 3.08Å; R317-R321 WeakPolarHBondContact O-CB 3.38Å; R317-R321 PolarHBondContact O-N 2.99Å; R321-L324 PolarHBondContact O-N 2.97Å; R321-S325 PolarHBondContact O-N 3Å; R321-S325 PolarHBondContact O-OG 3.32Å; R321-V361 HydrophobicContact CG-CG2 4.06Å; R321-M366 HydrophobicContact CB-CE 4.19Å; R321-M366 HydrophobicContact CB-SD 4.31Å
322	A	85.7	Confident	75.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.7	-36.2	-179.6	0	0	0	0	0	112.9	V301 A308 L310 S318 L319 V320 S325 L326	V301-A322 HydrophobicContact CG1-CB 4.09Å; V301-A322 HydrophobicContact CG2-CB 4.11Å; A308-A322 WeakPolarHBondContact CA-O 3.17Å; A308-A322 HydrophobicContact CB-CB 3.99Å; A308-A322 WeakPolarHBondContact CB-O 3.48Å; A308-A322 WeakPolarHBondContact O-CA 3.33Å; A308-A322 WeakPolarHBondContact O-CB 3.37Å; L310-A322 HydrophobicContact CB-CB 4.19Å; L310-A322 HydrophobicContact CD1-CB 3.66Å; S318-A322 VanDerWaalsContact O-CB 3.23Å; S318-A322 WeakPolarHBondContact O-CB 3.38Å; S318-A322 PolarHBondContact O-N 3.5Å; L319-A322 WeakPolarHBondContact O-CB 3.46Å; L319-A322 PolarHBondContact O-N 2.85Å; V320-A322 VanDerWaalsContact C-N 3.26Å; V320-A322 PolarHBondContact O-N 3.29Å; A322-S325 PolarHBondContact O-OG 3.34Å; A322-L326 PolarHBondContact O-N 3.3Å
323	Y	87.1	Confident	73.9	Confident	18 Å²	18	57 Å²	57	7%	0.071	31%	0.307	C	S	.	.	H	α-helix	trans	-69.1	-43	172	175	-98.9	0	0	0	111.6	F296 L297 T300 L319 V320 S325 L326 R327 Y369	F296-Y323 AromaticContact CE1-CE2 3.98Å; F296-Y323 HydrophobicContact CE1-CE2 3.98Å; L297-Y323 HydrophobicContact CD2-CD1 3.62Å; L297-Y323 HydrophobicContact CD2-CD2 3.42Å; L297-Y323 VanDerWaalsContact CD2-CD2 3.42Å; L297-Y323 HydrophobicContact CD2-CE1 3.99Å; L297-Y323 HydrophobicContact CD2-CE2 3.8Å; L297-Y323 HydrophobicContact CD2-CG 3.32Å; T300-Y323 HydrophobicContact CG2-CD2 4.01Å; T300-Y323 HydrophobicContact CG2-CE2 3.99Å; L319-Y323 PolarHBondContact O-N 3.25Å; V320-Y323 PolarHBondContact O-N 2.76Å; Y323-S325 PolarHBondContact O-N 3.09Å; Y323-L326 WeakPolarHBondContact O-CB 3.47Å; Y323-L326 PolarHBondContact O-N 2.91Å; Y323-L326 VanDerWaalsContact O-N 3.08Å; Y323-R327 PolarHBondContact O-N 3.1Å; Y323-R327 PolarHBondContact OH-NH1 3.48Å; Y323-Y369 HydrophobicContact CE1-CD1 4.29Å; Y323-Y369 AromaticContact CE1-CE1 3.84Å; Y323-Y369 HydrophobicContact CE1-CE1 3.84Å; Y323-Y369 HydrophobicContact CE1-CE2 4.45Å; Y323-Y369 AromaticContact CE1-CZ 3.94Å
324	L	86.1	Confident	72.4	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-37.8	178.1	-77.4	175	0	0	0	112.3	V320 R321 L326 R327 L328 V361 P365 M366 Y369	V320-L324 HydrophobicContact CG1-CD1 3.8Å; V320-L324 HydrophobicContact CG1-CG 4.27Å; V320-L324 WeakPolarHBondContact O-CB 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.49Å; V320-L324 PolarHBondContact O-N 2.87Å; R321-L324 PolarHBondContact O-N 2.97Å; L324-L326 PolarHBondContact O-N 3.38Å; L324-R327 PolarHBondContact O-N 2.89Å; L324-L328 HydrophobicContact CD2-CD1 4.05Å; L324-L328 WeakPolarHBondContact O-CA 3.39Å; L324-L328 WeakPolarHBondContact O-CB 3.33Å; L324-L328 PolarHBondContact O-N 2.7Å; L324-V361 HydrophobicContact CB-CG1 3.73Å; L324-V361 HydrophobicContact CD1-CG1 3.63Å; L324-V361 HydrophobicContact CG-CG1 4.23Å; L324-P365 HydrophobicContact CD1-CB 4.11Å; L324-P365 HydrophobicContact CD2-CB 3.89Å; L324-M366 HydrophobicContact CD1-CB 4.23Å; L324-M366 HydrophobicContact CD1-SD 3.91Å; L324-Y369 HydrophobicContact CD1-CD2 4.22Å; L324-Y369 HydrophobicContact CD2-CD2 3.41Å; L324-Y369 VanDerWaalsContact CD2-CD2 3.41Å; L324-Y369 HydrophobicContact CD2-CE2 3.45Å; L324-Y369 VanDerWaalsContact CD2-CE2 3.45Å; L324-Y369 HydrophobicContact CD2-CG 4.5Å; L324-Y369 HydrophobicContact CG-CD2 4.03Å; L324-Y369 HydrophobicContact CG-CE2 4.5Å
325	S	80.8	Confident	70.4	Confident	29 Å²	29	50.1 Å²	50.1	20%	0.203	29%	0.29	C	S	.	.	H	α-helix	trans	-65.9	-19.9	174.2	62.4	0	0	0	0	113.3	A308 R321 A322 Y323 L328	A308-S325 PolarHBondContact O-OG 3.2Å; R321-S325 PolarHBondContact O-N 3Å; R321-S325 PolarHBondContact O-OG 3.32Å; A322-S325 PolarHBondContact O-OG 3.34Å; Y323-S325 PolarHBondContact O-N 3.09Å; S325-L328 CarbonylContact C-O 3.58Å
326	L	81.1	Confident	68.3	Low	46 Å²	46	54.2 Å²	54.2	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-82.3	-43.3	172.1	174.9	60.4	0	0	0	112	T300 Q304 L307 A322 Y323 L324	T300-L326 HydrophobicContact CG2-CD2 3.84Å; Q304-L326 HydrophobicContact CB-CD2 4.41Å; L307-L326 HydrophobicContact CB-CD1 4.44Å; L307-L326 HydrophobicContact CD1-CD1 4.28Å; A322-L326 PolarHBondContact O-N 3.3Å; Y323-L326 WeakPolarHBondContact O-CB 3.47Å; Y323-L326 PolarHBondContact O-N 2.91Å; Y323-L326 VanDerWaalsContact O-N 3.08Å; L324-L326 PolarHBondContact O-N 3.38Å
327	R	77.6	Confident	65.9	Low	85 Å²	85	57.3 Å²	57.3	32%	0.321	33%	0.329	S	S	.	.	H	α-helix	trans	-79	-37.1	-177.1	-170.2	169.3	178.5	164.9	-6.5	113	Y323 L324 Y369 I450	Y323-R327 PolarHBondContact O-N 3.1Å; Y323-R327 PolarHBondContact OH-NH1 3.48Å; L324-R327 PolarHBondContact O-N 2.89Å; R327-Y369 PolarHBondContact NH1-OH 2.81Å; R327-I450 PolarHBondContact NH2-O 3.42Å
328	L	69.6	Low	63.5	Low	2 Å²	2	56.5 Å²	56.5	1%	0.01	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	106.4	174.7	-62.5	165.9	0	0	0	106.9	L324 S325 S330 L345 F353 V361 P362 P365	L324-L328 HydrophobicContact CD2-CD1 4.05Å; L324-L328 WeakPolarHBondContact O-CA 3.39Å; L324-L328 WeakPolarHBondContact O-CB 3.33Å; L324-L328 PolarHBondContact O-N 2.7Å; S325-L328 CarbonylContact C-O 3.58Å; L328-S330 VanDerWaalsContact C-N 3.34Å; L328-S330 PolarHBondContact O-N 3.22Å; L328-S330 PolarHBondContact O-OG 3.25Å; L328-L345 HydrophobicContact CD2-CD1 4.3Å; L328-F353 HydrophobicContact CD2-CZ 3.93Å; L328-V361 HydrophobicContact CD1-CG1 4.42Å; L328-P362 HydrophobicContact CD1-CG 4.41Å; L328-P365 HydrophobicContact CD1-CB 4.25Å; L328-P365 HydrophobicContact CD1-CG 4.26Å
329	P	53.6	Low	61.1	Low	65 Å²	65	60.5 Å²	60.5	42%	0.422	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	95.9	-179.4	-18.5	30.7	0	0	0	109.9	D331	P329-D331 VanDerWaalsContact C-N 3.29Å; P329-D331 PolarHBondContact O-N 2.91Å
330	S	48.5	Very low	58.7	Low	52 Å²	52	62.7 Å²	62.7	36%	0.364	37%	0.367	S	S	.	.			trans	-90.8	72.3	175.1	-59.1	0	0	0	0	107.5	L328	L328-S330 VanDerWaalsContact C-N 3.34Å; L328-S330 PolarHBondContact O-N 3.22Å; L328-S330 PolarHBondContact O-OG 3.25Å
331	D	38.6	Very low	56.5	Low	101 Å²	101	65.5 Å²	65.5	54%	0.54	38%	0.382	S	S	.	.			trans	-71.7	141	171.9	-129.2	-13.5	0	0	0	109.6	P329 S338	P329-D331 VanDerWaalsContact C-N 3.29Å; P329-D331 PolarHBondContact O-N 2.91Å; D331-S338 WeakPolarHBondContact O-CB 3.34Å
332	N	38.9	Very low	54.5	Low	85 Å²	85	64.4 Å²	64.4	46%	0.455	38%	0.381	S	S	.	.			trans	-36.2	135.5	-159	-64.4	-34.8	0	0	0	117.4	R309 A334	R309-N332 PolarHBondContact NH1-OD1 3.5Å; R309-N332 PolarHBondContact NH2-OD1 3.26Å; N332-A334 PolarHBondContact O-N 3.47Å
333	V	41.2	Very low	52.6	Low	153 Å²	153	71.2 Å²	71.2	93%	0.927	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	7.4	172	176.7	0	0	0	0	114.8
334	A	41.1	Very low	50.7	Low	85 Å²	85	74.8 Å²	74.8	70%	0.702	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-26	-177.9	0	0	0	0	0	114.2	N332	N332-A334 PolarHBondContact O-N 3.47Å
335	D	35.4	Very low	48.8	Very low	115 Å²	115	76.5 Å²	76.5	62%	0.615	43%	0.434	S	S	*	.			trans	-120.5	123.8	-177.1	-82.2	-34.1	0	0	0	111.4	S337 S338	D335-S337 PolarHBondContact O-N 3.24Å; D335-S338 PolarHBondContact O-N 3.03Å
336	V	39	Very low	47.4	Very low	131 Å²	131	76.3 Å²	76.3	79%	0.794	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-19.4	174	177.3	0	0	0	0	112.3	S338	V336-S338 VanDerWaalsContact C-N 3.34Å; V336-S338 PolarHBondContact O-N 3.04Å
337	S	37.1	Very low	45.8	Very low	87 Å²	87	81.7 Å²	81.7	61%	0.608	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.7	173.6	-32.6	0	0	0	0	114.9	D335 S340	D335-S337 PolarHBondContact O-N 3.24Å; S337-S340 WeakPolarHBondContact O-CB 3.43Å; S337-S340 PolarHBondContact O-N 2.88Å
338	S	39.9	Very low	44.6	Very low	31 Å²	31	84.6 Å²	84.6	22%	0.217	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-12.9	-170.2	-60.7	0	0	0	0	115	D331 D335 V336 S340 N341	D331-S338 WeakPolarHBondContact O-CB 3.34Å; D335-S338 PolarHBondContact O-N 3.03Å; V336-S338 VanDerWaalsContact C-N 3.34Å; V336-S338 PolarHBondContact O-N 3.04Å; S338-S340 PolarHBondContact O-N 3.42Å; S338-S340 VanDerWaalsContact O-N 3.16Å; S338-N341 PolarHBondContact O-N 3.33Å; S338-N341 VanDerWaalsContact O-N 3.09Å
339	L	37.9	Very low	43.8	Very low	96 Å²	96	88.1 Å²	88.1	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-52.2	-29.1	157	-91.9	144.2	0	0	0	110.1	N341 L342 Y343	L339-N341 PolarHBondContact O-N 2.83Å; L339-L342 PolarHBondContact O-N 3.22Å; L339-Y343 HydrophobicContact CB-CD2 4.08Å; L339-Y343 HydrophobicContact CB-CE2 3.95Å; L339-Y343 HydrophobicContact CD2-CE2 3.97Å; L339-Y343 WeakPolarHBondContact O-CD2 3.47Å; L339-Y343 PolarHBondContact O-N 3.28Å
340	S	36.6	Very low	44.1	Very low	64 Å²	64	87.2 Å²	87.2	45%	0.448	50%	0.496	S	S	.	.	H	α-helix	trans	-58	-25.6	176.4	-161.9	0	0	0	0	114.1	S337 S338 Y343 Q344	S337-S340 WeakPolarHBondContact O-CB 3.43Å; S337-S340 PolarHBondContact O-N 2.88Å; S338-S340 PolarHBondContact O-N 3.42Å; S338-S340 VanDerWaalsContact O-N 3.16Å; S340-Y343 CarbonylContact O-C 3.51Å; S340-Q344 WeakPolarHBondContact O-CA 3.47Å; S340-Q344 VanDerWaalsContact O-CB 3.24Å; S340-Q344 WeakPolarHBondContact O-CB 3.36Å; S340-Q344 PolarHBondContact O-N 3.24Å
341	N	43.9	Very low	45	Very low	60 Å²	60	85.8 Å²	85.8	32%	0.321	48%	0.482	S	S	.	.	H	α-helix	trans	-85.2	-32.9	178.8	-75.2	-12.7	0	0	0	112.9	S338 L339 Y343 Q344 L345	S338-N341 PolarHBondContact O-N 3.33Å; S338-N341 VanDerWaalsContact O-N 3.09Å; L339-N341 PolarHBondContact O-N 2.83Å; N341-Y343 VanDerWaalsContact C-N 3.29Å; N341-Q344 PolarHBondContact O-N 2.96Å; N341-L345 PolarHBondContact O-N 3.25Å
342	L	44.6	Very low	46.6	Very low	47 Å²	47	85.2 Å²	85.2	25%	0.246	48%	0.476	C	S	.	.	H	α-helix	trans	-64.9	-39.3	165.1	-75	169	0	0	0	109.8	L339 Q344 S346 F353	L339-L342 PolarHBondContact O-N 3.22Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; L342-S346 VanDerWaalsContact O-CB 3.24Å; L342-S346 WeakPolarHBondContact O-CB 3.4Å; L342-S346 PolarHBondContact O-N 2.96Å; L342-F353 HydrophobicContact CD2-CD2 4.07Å; L342-F353 HydrophobicContact CD2-CE2 3.66Å
343	Y	45.9	Very low	48.5	Very low	144 Å²	144	83.4 Å²	83.4	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-66.8	-30.8	169.6	-72.7	-63.1	0	0	0	112.8	L339 S340 N341 S346 E347	L339-Y343 HydrophobicContact CB-CD2 4.08Å; L339-Y343 HydrophobicContact CB-CE2 3.95Å; L339-Y343 HydrophobicContact CD2-CE2 3.97Å; L339-Y343 WeakPolarHBondContact O-CD2 3.47Å; L339-Y343 PolarHBondContact O-N 3.28Å; S340-Y343 CarbonylContact O-C 3.51Å; N341-Y343 VanDerWaalsContact C-N 3.29Å; Y343-S346 CarbonylContact O-C 3.58Å; Y343-S346 WeakPolarHBondContact O-CA 3.38Å; Y343-S346 VanDerWaalsContact O-CB 3.25Å; Y343-S346 WeakPolarHBondContact O-CB 3.41Å; Y343-S346 PolarHBondContact O-N 2.9Å; Y343-E347 WeakPolarHBondContact O-CB 3.25Å; Y343-E347 WeakPolarHBondContact O-CG 3.47Å; Y343-E347 PolarHBondContact O-N 3.29Å
344	Q	47.6	Very low	50.2	Low	93 Å²	93	78.2 Å²	78.2	44%	0.435	43%	0.431	S	S	.	.	H	α-helix	trans	-73.4	-36.7	178	-163.8	112.6	45.3	0	0	111.4	S340 N341 L342 S346 E347 Q348	S340-Q344 WeakPolarHBondContact O-CA 3.47Å; S340-Q344 VanDerWaalsContact O-CB 3.24Å; S340-Q344 WeakPolarHBondContact O-CB 3.36Å; S340-Q344 PolarHBondContact O-N 3.24Å; N341-Q344 PolarHBondContact O-N 2.96Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; Q344-S346 VanDerWaalsContact C-N 3.34Å; Q344-E347 PolarHBondContact O-N 2.98Å; Q344-Q348 VanDerWaalsContact O-CB 3.32Å; Q344-Q348 WeakPolarHBondContact O-CB 3.37Å; Q344-Q348 WeakPolarHBondContact O-CG 3.49Å; Q344-Q348 PolarHBondContact O-N 3.26Å
345	L	46.8	Very low	52.1	Low	36 Å²	36	76.5 Å²	76.5	19%	0.188	41%	0.41	C	S	.	.	H	α-helix	trans	-69.4	-35	167.9	-73.7	170.1	0	0	0	111.1	L328 N341 E347 N349	L328-L345 HydrophobicContact CD2-CD1 4.3Å; N341-L345 PolarHBondContact O-N 3.25Å; L345-E347 VanDerWaalsContact C-N 3.31Å; L345-N349 WeakPolarHBondContact O-CB 3.44Å; L345-N349 PolarHBondContact O-N 2.93Å
346	S	50.6	Low	54.4	Low	24 Å²	24	72.8 Å²	72.8	17%	0.168	40%	0.399	C	S	.	.	H	α-helix	trans	-61.5	-37	169.9	-171.3	0	0	0	0	112.2	L342 Y343 Q344 G350 W351	L342-S346 VanDerWaalsContact O-CB 3.24Å; L342-S346 WeakPolarHBondContact O-CB 3.4Å; L342-S346 PolarHBondContact O-N 2.96Å; Y343-S346 CarbonylContact O-C 3.58Å; Y343-S346 WeakPolarHBondContact O-CA 3.38Å; Y343-S346 VanDerWaalsContact O-CB 3.25Å; Y343-S346 WeakPolarHBondContact O-CB 3.41Å; Y343-S346 PolarHBondContact O-N 2.9Å; Q344-S346 VanDerWaalsContact C-N 3.34Å; S346-G350 CarbonylContact O-C 3.18Å; S346-G350 VanDerWaalsContact O-C 3.28Å; S346-G350 WeakPolarHBondContact O-CA 3.48Å; S346-G350 PolarHBondContact O-N 3.49Å; S346-W351 VanDerWaalsContact CA-O 3.24Å; S346-W351 WeakPolarHBondContact CA-O 3.27Å; S346-W351 WeakPolarHBondContact CB-O 3.42Å; S346-W351 PolarHBondContact O-N 2.83Å; S346-W351 PolarHBondContact OG-O 2.84Å
347	E	48.5	Very low	56.5	Low	160 Å²	160	71.9 Å²	71.9	75%	0.748	39%	0.389	S	S	*	.	H	α-helix	trans	-82	-39.1	178.4	-78.2	-170.2	174.6	0	0	112.1	Y343 Q344 L345	Y343-E347 WeakPolarHBondContact O-CB 3.25Å; Y343-E347 WeakPolarHBondContact O-CG 3.47Å; Y343-E347 PolarHBondContact O-N 3.29Å; Q344-E347 PolarHBondContact O-N 2.98Å; L345-E347 VanDerWaalsContact C-N 3.31Å
348	Q	52	Low	58.6	Low	145 Å²	145	68.3 Å²	68.3	68%	0.678	36%	0.364	S	S	*	.	H	α-helix	trans	-69.4	-39.4	177.8	-83	-173.3	-18.3	0	0	112.1	Q344	Q344-Q348 VanDerWaalsContact O-CB 3.32Å; Q344-Q348 WeakPolarHBondContact O-CB 3.37Å; Q344-Q348 WeakPolarHBondContact O-CG 3.49Å; Q344-Q348 PolarHBondContact O-N 3.26Å
349	N	53.1	Low	60.3	Low	77 Å²	77	70.1 Å²	70.1	41%	0.412	37%	0.371	S	S	.	.	H	α-helix	trans	-114.4	-3.6	-174.9	-58.6	-17.9	0	0	0	114.2	L345 W351	L345-N349 WeakPolarHBondContact O-CB 3.44Å; L345-N349 PolarHBondContact O-N 2.93Å; N349-W351 VanDerWaalsContact C-N 3.29Å; N349-W351 HydrophobicContact CB-CD2 3.8Å; N349-W351 VanDerWaalsContact CB-CE2 3.49Å; N349-W351 HydrophobicContact CB-CG 3.86Å; N349-W351 HydrophobicContact CB-CZ2 4.02Å; N349-W351 WeakPolarHBondContact ND2-CH2 3.48Å; N349-W351 VanDerWaalsContact ND2-CZ2 3.31Å; N349-W351 WeakPolarHBondContact ND2-CZ2 3.4Å; N349-W351 PolarHBondContact O-N 2.92Å
350	G	59.4	Low	62.1	Low	46 Å²	46	67.8 Å²	67.8	47%	0.474	37%	0.37	S	S	.	.			trans	75.6	10.4	-176.1	0	0	0	0	0	115	S346	S346-G350 CarbonylContact O-C 3.18Å; S346-G350 VanDerWaalsContact O-C 3.28Å; S346-G350 WeakPolarHBondContact O-CA 3.48Å; S346-G350 PolarHBondContact O-N 3.49Å
351	W	67.8	Low	64.4	Low	22 Å²	22	65 Å²	65	8%	0.083	35%	0.35	C	S	.	.			trans	-78.5	125.2	-169.9	-63.3	-6.6	0	0	0	113	S346 N349 F353 P429 Y430 D449	S346-W351 VanDerWaalsContact CA-O 3.24Å; S346-W351 WeakPolarHBondContact CA-O 3.27Å; S346-W351 WeakPolarHBondContact CB-O 3.42Å; S346-W351 PolarHBondContact O-N 2.83Å; S346-W351 PolarHBondContact OG-O 2.84Å; N349-W351 VanDerWaalsContact C-N 3.29Å; N349-W351 HydrophobicContact CB-CD2 3.8Å; N349-W351 VanDerWaalsContact CB-CE2 3.49Å; N349-W351 HydrophobicContact CB-CG 3.86Å; N349-W351 HydrophobicContact CB-CZ2 4.02Å; N349-W351 WeakPolarHBondContact ND2-CH2 3.48Å; N349-W351 VanDerWaalsContact ND2-CZ2 3.31Å; N349-W351 WeakPolarHBondContact ND2-CZ2 3.4Å; N349-W351 PolarHBondContact O-N 2.92Å; W351-F353 HydrophobicContact CE3-CZ 4.03Å; W351-P429 HydrophobicContact CD2-CG 4.08Å; W351-P429 HydrophobicContact CG-CG 4.1Å; W351-Y430 HydrophobicContact CZ3-CE2 4.47Å; W351-D449 HydrophobicContact CZ2-CB 3.85Å
352	E	71.9	Confident	66.4	Low	89 Å²	89	62.3 Å²	62.3	42%	0.416	34%	0.336	S	S	.	.			trans	-110.5	123.6	166.2	-69.5	170.1	-151.8	0	0	107.7	R427 D428	E352-R427 HydrophobicContact CB-CB 4.28Å; E352-R427 WeakPolarHBondContact OE1-CD 3.21Å; E352-R427 IonicContact OE1-CZ 3.8Å; E352-R427 IonicContact OE1-NH1 2.8Å; E352-R427 PolarHBondContact OE1-NH1 3.06Å; E352-D428 VanDerWaalsContact O-CA 3.27Å; E352-D428 WeakPolarHBondContact O-CA 3.24Å; E352-D428 WeakPolarHBondContact O-CB 3.36Å; E352-D428 PolarHBondContact O-N 3.32Å
353	F	77.6	Confident	68.6	Low	47 Å²	47	60.1 Å²	60.1	21%	0.206	33%	0.325	C	S	.	.			trans	-87.1	120.1	177.7	-65.9	-70.5	0	0	0	110.2	L328 L342 W351 P362 P365 D428 Y430	L328-F353 HydrophobicContact CD2-CZ 3.93Å; L342-F353 HydrophobicContact CD2-CD2 4.07Å; L342-F353 HydrophobicContact CD2-CE2 3.66Å; W351-F353 HydrophobicContact CE3-CZ 4.03Å; F353-P362 HydrophobicContact CB-CB 4.09Å; F353-P362 HydrophobicContact CB-CG 4.46Å; F353-P362 HydrophobicContact CD1-CB 3.89Å; F353-P362 HydrophobicContact CD1-CG 4.21Å; F353-P362 HydrophobicContact CD2-CG 4.18Å; F353-P362 HydrophobicContact CE1-CB 4.49Å; F353-P362 HydrophobicContact CE2-CG 4.5Å; F353-P362 HydrophobicContact CG-CB 3.94Å; F353-P362 HydrophobicContact CG-CG 4.02Å; F353-P365 HydrophobicContact CD1-CG 4.15Å; F353-P365 HydrophobicContact CE1-CG 3.84Å; F353-D428 WeakPolarHBondContact CA-OD2 3.36Å; F353-Y430 HydrophobicContact CE1-CD2 4.07Å; F353-Y430 HydrophobicContact CE1-CE2 4.12Å
354	D	78.4	Confident	70.8	Confident	43 Å²	43	53.3 Å²	53.3	23%	0.23	30%	0.298	C	S	.	.			trans	-85.1	162.3	-178.6	-80.8	-7.4	0	0	0	112	G356 T426 D428 K431	D354-G356 PolarHBondContact O-N 2.93Å; D354-T426 WeakPolarHBondContact OD2-CB 3.26Å; D354-T426 PolarHBondContact OD2-OG1 3.26Å; D354-D428 HydrophobicContact CB-CB 4.36Å; D354-D428 PolarHBondContact N-OD2 2.85Å; D354-K431 HydrophobicContact CB-CD 3.94Å; D354-K431 WeakPolarHBondContact OD2-CD 3.5Å; D354-K431 IonicContact OD2-NZ 2.74Å; D354-K431 PolarHBondContact OD2-NZ 2.84Å
355	D	80.5	Confident	72.8	Confident	49 Å²	49	48.9 Å²	48.9	26%	0.262	28%	0.277	S	S	.	.	S	Bend	trans	63.2	13.1	163.2	-50.3	-45.9	0	0	0	116.7	W364 N389 K431	D355-W364 VanDerWaalsContact OD2-CE2 3.27Å; D355-W364 VanDerWaalsContact OD2-CZ2 3.29Å; D355-W364 WeakPolarHBondContact OD2-CZ2 3.45Å; D355-W364 PolarHBondContact OD2-NE1 2.75Å; D355-N389 HydrophobicContact CB-CB 3.97Å; D355-N389 VanDerWaalsContact O-CB 3.32Å; D355-N389 WeakPolarHBondContact O-CB 3.36Å; D355-N389 PolarHBondContact O-ND2 3.43Å; D355-K431 IonicContact OD1-NZ 3.94Å; D355-K431 WeakPolarHBondContact OD2-CE 3.42Å; D355-K431 IonicContact OD2-NZ 3.73Å; D355-K431 PolarHBondContact OD2-NZ 3.16Å
356	G	82.8	Confident	74.9	Confident	37 Å²	37	47.1 Å²	47.1	38%	0.381	27%	0.268	S	S	.	.			trans	88.1	-156.1	166.3	0	0	0	0	0	115.6	D354 V363	D354-G356 PolarHBondContact O-N 2.93Å; G356-V363 WeakPolarHBondContact O-CG2 3.34Å; G356-V363 PolarHBondContact O-N 3.46Å
357	L	84.2	Confident	76.9	Confident	112 Å²	112	46 Å²	46	59%	0.586	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.4	-172.1	-63.6	157.6	0	0	0	110.9	V361 P362	L357-V361 CarbonylContact C-O 3.44Å; L357-V361 VanDerWaalsContact CA-O 3.3Å; L357-V361 WeakPolarHBondContact CA-O 3.43Å; L357-P362 HydrophobicContact CD2-CG 4.1Å
358	V	79.9	Confident	79	Confident	12 Å²	12	38.8 Å²	38.8	7%	0.073	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.3	167.2	163.2	0	0	0	0	108.7	G360 V361 V363 V382 A386	V358-G360 PolarHBondContact O-N 2.87Å; V358-V361 PolarHBondContact N-O 3.35Å; V358-V361 PolarHBondContact O-N 3.25Å; V358-V363 HydrophobicContact CB-CG2 4.08Å; V358-V363 HydrophobicContact CG2-CG2 3.63Å; V358-V382 HydrophobicContact CG1-CG1 4.23Å; V358-A386 HydrophobicContact CG2-CB 3.59Å
359	D	76.1	Confident	80.8	Confident	70 Å²	70	32.1 Å²	32.1	37%	0.374	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	26.8	-175	-58.6	-25	0	0	0	114.5	R317 V361	R317-D359 IonicContact CZ-OD1 3.42Å; R317-D359 IonicContact CZ-OD2 3.89Å; R317-D359 VanDerWaalsContact CZ-OD2 3.26Å; R317-D359 IonicContact NE-OD2 2.85Å; R317-D359 PolarHBondContact NE-OD2 3.25Å; R317-D359 VanDerWaalsContact NH2-CG 3.28Å; R317-D359 IonicContact NH2-OD1 3.8Å; R317-D359 PolarHBondContact NH2-OD1 3.12Å; R317-D359 IonicContact NH2-OD2 3.59Å; R317-D359 PolarHBondContact NH2-OD2 2.92Å; D359-V361 VanDerWaalsContact C-N 3.34Å
360	G	76	Confident	82.7	Confident	47 Å²	47	28.4 Å²	28.4	49%	0.485	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	5.8	-177.6	0	0	0	0	0	115.1	V358	V358-G360 PolarHBondContact O-N 2.87Å
361	V	84.1	Confident	84.2	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.7	179.9	178.3	0	0	0	0	109.4	R321 L324 L328 L357 V358 D359	R321-V361 HydrophobicContact CG-CG2 4.06Å; L324-V361 HydrophobicContact CB-CG1 3.73Å; L324-V361 HydrophobicContact CD1-CG1 3.63Å; L324-V361 HydrophobicContact CG-CG1 4.23Å; L328-V361 HydrophobicContact CD1-CG1 4.42Å; L357-V361 CarbonylContact C-O 3.44Å; L357-V361 VanDerWaalsContact CA-O 3.3Å; L357-V361 WeakPolarHBondContact CA-O 3.43Å; V358-V361 PolarHBondContact N-O 3.35Å; V358-V361 PolarHBondContact O-N 3.25Å; D359-V361 VanDerWaalsContact C-N 3.34Å
362	P	87.6	Confident	85.3	Confident	5 Å²	5	25.6 Å²	25.6	3%	0.032	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	140.8	178.7	-22.9	33.8	0	0	0	112.8	L328 F353 L357 W364 P365 M366	L328-P362 HydrophobicContact CD1-CG 4.41Å; F353-P362 HydrophobicContact CB-CB 4.09Å; F353-P362 HydrophobicContact CB-CG 4.46Å; F353-P362 HydrophobicContact CD1-CB 3.89Å; F353-P362 HydrophobicContact CD1-CG 4.21Å; F353-P362 HydrophobicContact CD2-CG 4.18Å; F353-P362 HydrophobicContact CE1-CB 4.49Å; F353-P362 HydrophobicContact CE2-CG 4.5Å; F353-P362 HydrophobicContact CG-CB 3.94Å; F353-P362 HydrophobicContact CG-CG 4.02Å; L357-P362 HydrophobicContact CD2-CG 4.1Å; P362-W364 PolarHBondContact O-N 3.01Å; P362-P365 HydrophobicContact CB-CG 3.96Å; P362-P365 WeakPolarHBondContact O-CD 3.35Å; P362-M366 PolarHBondContact O-N 2.91Å
363	V	90.1	Very high	86.2	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-46.2	-170.9	171.6	0	0	0	0	112.4	G356 V358 M366 I367 A386 L390	G356-V363 WeakPolarHBondContact O-CG2 3.34Å; G356-V363 PolarHBondContact O-N 3.46Å; V358-V363 HydrophobicContact CB-CG2 4.08Å; V358-V363 HydrophobicContact CG2-CG2 3.63Å; V363-M366 WeakPolarHBondContact O-CB 3.38Å; V363-M366 PolarHBondContact O-N 3.33Å; V363-I367 HydrophobicContact CG1-CD1 3.62Å; V363-I367 HydrophobicContact CG1-CG1 4.29Å; V363-I367 WeakPolarHBondContact O-CG1 3.49Å; V363-I367 PolarHBondContact O-N 3.28Å; V363-A386 HydrophobicContact CG1-CB 3.84Å; V363-A386 HydrophobicContact CG2-CB 3.86Å; V363-L390 HydrophobicContact CG1-CD1 3.93Å; V363-L390 HydrophobicContact CG1-CD2 4.29Å; V363-L390 HydrophobicContact CG1-CG 4.34Å
364	W	91.1	Very high	86.7	Confident	1 Å²	1	20.3 Å²	20.3	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-67.5	-46.3	-175.1	-67.9	108.3	0	0	0	114.6	D355 P362 M366 I367 F368 L390 F393 D428 K431 T434 Y435	D355-W364 VanDerWaalsContact OD2-CE2 3.27Å; D355-W364 VanDerWaalsContact OD2-CZ2 3.29Å; D355-W364 WeakPolarHBondContact OD2-CZ2 3.45Å; D355-W364 PolarHBondContact OD2-NE1 2.75Å; P362-W364 PolarHBondContact O-N 3.01Å; W364-M366 VanDerWaalsContact C-N 3.25Å; W364-M366 PolarHBondContact O-N 3.33Å; W364-I367 HydrophobicContact CE3-CD1 4.41Å; W364-I367 HydrophobicContact CZ3-CD1 4.43Å; W364-I367 PolarHBondContact O-N 3.21Å; W364-F368 WeakPolarHBondContact O-CB 3.29Å; W364-F368 PolarHBondContact O-N 3.04Å; W364-L390 HydrophobicContact CH2-CD2 3.39Å; W364-L390 HydrophobicContact CZ2-CD2 3.34Å; W364-L390 HydrophobicContact CZ3-CD2 4.18Å; W364-F393 HydrophobicContact CH2-CD1 4.13Å; W364-F393 AromaticContact CH2-CD2 3.92Å; W364-F393 HydrophobicContact CH2-CD2 3.92Å; W364-F393 HydrophobicContact CH2-CE1 4.13Å; W364-F393 AromaticContact CH2-CE2 3.89Å; W364-F393 HydrophobicContact CH2-CE2 3.89Å; W364-F393 HydrophobicContact CH2-CG 4.03Å; W364-F393 HydrophobicContact CH2-CZ 4.01Å; W364-F393 HydrophobicContact CZ3-CD1 4.41Å; W364-F393 HydrophobicContact CZ3-CD2 4.31Å; W364-F393 AromaticContact CZ3-CE1 3.94Å; W364-F393 HydrophobicContact CZ3-CE1 3.94Å; W364-F393 AromaticContact CZ3-CE2 3.8Å; W364-F393 HydrophobicContact CZ3-CE2 3.8Å; W364-F393 AromaticContact CZ3-CZ 3.61Å; W364-F393 HydrophobicContact CZ3-CZ 3.61Å; W364-D428 VanDerWaalsContact CD1-OD2 3.3Å; W364-K431 HydrophobicContact CB-CB 4.35Å; W364-K431 HydrophobicContact CD2-CB 3.67Å; W364-K431 HydrophobicContact CD2-CD 4.24Å; W364-K431 HydrophobicContact CD2-CG 3.73Å; W364-K431 VanDerWaalsContact CE2-CG 3.48Å; W364-K431 HydrophobicContact CE3-CB 4.15Å; W364-K431 HydrophobicContact CE3-CG 4.12Å; W364-K431 HydrophobicContact CG-CB 3.73Å; W364-K431 HydrophobicContact CG-CG 4.24Å; W364-K431 HydrophobicContact CH2-CG 4.13Å; W364-K431 HydrophobicContact CZ2-CD 3.82Å; W364-K431 HydrophobicContact CZ2-CG 3.7Å; W364-K431 HydrophobicContact CZ3-CG 4.31Å; W364-T434 HydrophobicContact CE3-CG2 4.42Å; W364-T434 HydrophobicContact CZ3-CG2 4.18Å; W364-Y435 HydrophobicContact CH2-CD2 4.15Å; W364-Y435 AromaticContact CH2-CE2 3.36Å; W364-Y435 HydrophobicContact CH2-CE2 3.36Å; W364-Y435 AromaticContact CZ2-CE2 3.95Å; W364-Y435 HydrophobicContact CZ2-CE2 3.95Å; W364-Y435 HydrophobicContact CZ3-CD2 4.27Å; W364-Y435 AromaticContact CZ3-CE2 3.92Å; W364-Y435 HydrophobicContact CZ3-CE2 3.92Å
365	P	90.1	Very high	87.3	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-53.5	-43.7	168.5	-26.9	32.8	0	0	0	112.5	L324 L328 F353 P362 F368 Y369 Y430	L324-P365 HydrophobicContact CD1-CB 4.11Å; L324-P365 HydrophobicContact CD2-CB 3.89Å; L328-P365 HydrophobicContact CD1-CB 4.25Å; L328-P365 HydrophobicContact CD1-CG 4.26Å; F353-P365 HydrophobicContact CD1-CG 4.15Å; F353-P365 HydrophobicContact CE1-CG 3.84Å; P362-P365 HydrophobicContact CB-CG 3.96Å; P362-P365 WeakPolarHBondContact O-CD 3.35Å; P365-F368 PolarHBondContact O-N 3.46Å; P365-Y369 WeakPolarHBondContact O-CD2 3.45Å; P365-Y369 PolarHBondContact O-N 3.45Å; P365-Y430 HydrophobicContact CB-CD1 4.25Å; P365-Y430 HydrophobicContact CB-CD2 4.39Å; P365-Y430 HydrophobicContact CB-CE1 4.36Å; P365-Y430 HydrophobicContact CB-CG 4.25Å; P365-Y430 HydrophobicContact CG-CD1 4.33Å; P365-Y430 HydrophobicContact CG-CD2 3.65Å; P365-Y430 HydrophobicContact CG-CE2 3.96Å; P365-Y430 HydrophobicContact CG-CG 3.85Å
366	M	91.3	Very high	87.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-48.7	179.4	-168.1	72.5	-176.2	0	0	111.7	R317 V320 R321 L324 P362 V363 W364 C370 V382	R317-M366 HydrophobicContact CB-CE 4.36Å; R317-M366 HydrophobicContact CG-CE 3.42Å; R317-M366 VanDerWaalsContact CG-CE 3.42Å; R317-M366 VanDerWaalsContact O-CE 3.27Å; R317-M366 WeakPolarHBondContact O-CE 3.33Å; V320-M366 HydrophobicContact CB-CE 4.41Å; V320-M366 HydrophobicContact CB-SD 4.44Å; V320-M366 HydrophobicContact CG1-CE 4.34Å; V320-M366 HydrophobicContact CG1-SD 3.79Å; R321-M366 HydrophobicContact CB-CE 4.19Å; R321-M366 HydrophobicContact CB-SD 4.31Å; L324-M366 HydrophobicContact CD1-CB 4.23Å; L324-M366 HydrophobicContact CD1-SD 3.91Å; P362-M366 PolarHBondContact O-N 2.91Å; V363-M366 WeakPolarHBondContact O-CB 3.38Å; V363-M366 PolarHBondContact O-N 3.33Å; W364-M366 VanDerWaalsContact C-N 3.25Å; W364-M366 PolarHBondContact O-N 3.33Å; M366-C370 WeakPolarHBondContact O-CB 3.48Å; M366-C370 PolarHBondContact O-N 2.91Å; M366-C370 PolarHBondContact O-SG 3.02Å; M366-V382 HydrophobicContact CB-CG1 4.07Å; M366-V382 HydrophobicContact CE-CG2 4.02Å; M366-V382 HydrophobicContact CG-CB 4.48Å; M366-V382 HydrophobicContact CG-CG1 3.54Å; M366-V382 HydrophobicContact CG-CG2 4.11Å
367	I	92.2	Very high	88.1	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-61.7	-47.6	177.4	-68.3	172.6	0	0	0	110.8	V363 W364 C370 L371 T379 V382 A383 L390 F393 T434	V363-I367 HydrophobicContact CG1-CD1 3.62Å; V363-I367 HydrophobicContact CG1-CG1 4.29Å; V363-I367 WeakPolarHBondContact O-CG1 3.49Å; V363-I367 PolarHBondContact O-N 3.28Å; W364-I367 HydrophobicContact CE3-CD1 4.41Å; W364-I367 HydrophobicContact CZ3-CD1 4.43Å; W364-I367 PolarHBondContact O-N 3.21Å; I367-C370 PolarHBondContact O-N 3Å; I367-L371 WeakPolarHBondContact O-CB 3.24Å; I367-L371 PolarHBondContact O-N 2.99Å; I367-T379 HydrophobicContact CG2-CG2 4.02Å; I367-V382 HydrophobicContact CG1-CG1 3.93Å; I367-A383 HydrophobicContact CD1-CB 4.26Å; I367-L390 HydrophobicContact CD1-CD1 3.92Å; I367-L390 HydrophobicContact CD1-CD2 4.09Å; I367-F393 HydrophobicContact CD1-CE1 4.19Å; I367-F393 HydrophobicContact CG2-CE1 4.37Å; I367-F393 HydrophobicContact CG2-CZ 4.48Å; I367-T434 HydrophobicContact CG2-CG2 4.03Å
368	F	91.8	Very high	88.4	Confident	7 Å²	7	17.8 Å²	17.8	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-59.6	-50.2	-178.4	170.5	-103.9	0	0	0	112.1	W364 P365 L371 R372 Y430 L433 I437 I450 W459	W364-F368 WeakPolarHBondContact O-CB 3.29Å; W364-F368 PolarHBondContact O-N 3.04Å; P365-F368 PolarHBondContact O-N 3.46Å; F368-L371 WeakPolarHBondContact O-CB 3.34Å; F368-L371 PolarHBondContact O-N 3.08Å; F368-R372 WeakPolarHBondContact O-CB 3.39Å; F368-R372 PolarHBondContact O-N 3.43Å; F368-Y430 HydrophobicContact CB-CD1 4.12Å; F368-Y430 AromaticContact CD1-CD1 3.75Å; F368-Y430 HydrophobicContact CD1-CD1 3.75Å; F368-Y430 HydrophobicContact CD1-CE1 4.03Å; F368-Y430 HydrophobicContact CG-CD1 4.08Å; F368-L433 HydrophobicContact CD2-CD2 3.9Å; F368-L433 HydrophobicContact CD2-CG 4.21Å; F368-L433 HydrophobicContact CE1-CD2 4.44Å; F368-L433 HydrophobicContact CE2-CD2 3.26Å; F368-L433 HydrophobicContact CE2-CG 3.84Å; F368-L433 HydrophobicContact CZ-CD2 3.58Å; F368-I437 HydrophobicContact CD2-CD1 4.41Å; F368-I437 HydrophobicContact CE2-CD1 4.11Å; F368-I450 HydrophobicContact CD1-CG2 4.42Å; F368-I450 HydrophobicContact CE1-CG2 3.64Å; F368-I450 HydrophobicContact CZ-CG2 3.89Å; F368-W459 HydrophobicContact CE2-CZ3 4.25Å
369	Y	91.8	Very high	89	Confident	5 Å²	5	17.2 Å²	17.2	2%	0.02	11%	0.105	C	C	.	.	H	α-helix	trans	-70.8	-33.4	-178.9	-77	-68.6	0	0	0	112.7	F293 V320 Y323 L324 R327 P365 L371 R372 T373 Y430	F293-Y369 AromaticContact CE1-CD1 3.92Å; F293-Y369 HydrophobicContact CE1-CD1 3.92Å; F293-Y369 AromaticContact CZ-CD1 3.55Å; F293-Y369 HydrophobicContact CZ-CD1 3.55Å; F293-Y369 AromaticContact CZ-CE1 3.79Å; F293-Y369 HydrophobicContact CZ-CE1 3.79Å; V320-Y369 VanDerWaalsContact CG1-CB 3.5Å; Y323-Y369 HydrophobicContact CE1-CD1 4.29Å; Y323-Y369 AromaticContact CE1-CE1 3.84Å; Y323-Y369 HydrophobicContact CE1-CE1 3.84Å; Y323-Y369 HydrophobicContact CE1-CE2 4.45Å; Y323-Y369 AromaticContact CE1-CZ 3.94Å; L324-Y369 HydrophobicContact CD1-CD2 4.22Å; L324-Y369 HydrophobicContact CD2-CD2 3.41Å; L324-Y369 VanDerWaalsContact CD2-CD2 3.41Å; L324-Y369 HydrophobicContact CD2-CE2 3.45Å; L324-Y369 VanDerWaalsContact CD2-CE2 3.45Å; L324-Y369 HydrophobicContact CD2-CG 4.5Å; L324-Y369 HydrophobicContact CG-CD2 4.03Å; L324-Y369 HydrophobicContact CG-CE2 4.5Å; R327-Y369 PolarHBondContact NH1-OH 2.81Å; P365-Y369 WeakPolarHBondContact O-CD2 3.45Å; P365-Y369 PolarHBondContact O-N 3.45Å; Y369-L371 VanDerWaalsContact C-N 3.31Å; Y369-R372 PolarHBondContact O-N 2.99Å; Y369-T373 WeakPolarHBondContact O-CG2 3.3Å; Y369-T373 PolarHBondContact O-N 3.25Å; Y369-T373 VanDerWaalsContact O-N 3.12Å; Y369-Y430 AromaticContact CE2-CE1 3.75Å; Y369-Y430 HydrophobicContact CE2-CE1 3.75Å
370	C	91.6	Very high	89.7	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.3	-42.8	169.5	-72.3	0	0	0	0	111	M366 I367 R372 T373 T379	M366-C370 WeakPolarHBondContact O-CB 3.48Å; M366-C370 PolarHBondContact O-N 2.91Å; M366-C370 PolarHBondContact O-SG 3.02Å; I367-C370 PolarHBondContact O-N 3Å; C370-R372 PolarHBondContact O-N 3.16Å; C370-T373 PolarHBondContact O-N 3.06Å; C370-T373 PolarHBondContact O-OG1 3.3Å; C370-T379 HydrophobicContact CB-CG2 4.26Å; C370-T379 VanDerWaalsContact CB-OG1 3.27Å; C370-T379 WeakPolarHBondContact CB-OG1 3.4Å; C370-T379 PolarHBondContact O-OG1 3.33Å
371	L	90.8	Very high	90.4	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-63.6	-42.3	176.1	-172.5	65.1	0	0	0	111.8	I367 F368 Y369 T373 G374 T379 Y400 I437 W459	I367-L371 WeakPolarHBondContact O-CB 3.24Å; I367-L371 PolarHBondContact O-N 2.99Å; F368-L371 WeakPolarHBondContact O-CB 3.34Å; F368-L371 PolarHBondContact O-N 3.08Å; Y369-L371 VanDerWaalsContact C-N 3.31Å; L371-T373 VanDerWaalsContact C-N 3.25Å; L371-T373 PolarHBondContact O-N 3.18Å; L371-G374 PolarHBondContact O-N 3.49Å; L371-T379 HydrophobicContact CB-CG2 4.16Å; L371-T379 PolarHBondContact N-OG1 2.86Å; L371-Y400 HydrophobicContact CD1-CE1 4.1Å; L371-I437 HydrophobicContact CD2-CG2 4.28Å; L371-W459 HydrophobicContact CD2-CH2 4.25Å; L371-W459 HydrophobicContact CG-CH2 3.98Å; L371-W459 HydrophobicContact CG-CZ2 4.38Å; L371-W459 WeakPolarHBondContact O-CZ2 3.32Å
372	R	91.4	Very high	90.6	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.015	8%	0.083	C	C	.	.	H	α-helix	trans	-64.6	-23.6	178.7	-178.5	61.6	-178.5	89.6	-0	114.1	L289 E290 F293 F368 Y369 C370 G374 D456 W459	L289-R372 PolarHBondContact O-NH1 3.28Å; E290-R372 WeakPolarHBondContact CG-O 3.44Å; F293-R372 HydrophobicContact CD1-CB 4.28Å; F293-R372 HydrophobicContact CD1-CG 3.54Å; F293-R372 HydrophobicContact CD2-CG 4.36Å; F293-R372 HydrophobicContact CE1-CB 4.08Å; F293-R372 HydrophobicContact CE1-CG 3.55Å; F293-R372 HydrophobicContact CE2-CG 4.38Å; F293-R372 HydrophobicContact CG-CG 3.97Å; F293-R372 HydrophobicContact CZ-CG 4.01Å; F368-R372 WeakPolarHBondContact O-CB 3.39Å; F368-R372 PolarHBondContact O-N 3.43Å; Y369-R372 PolarHBondContact O-N 2.99Å; C370-R372 PolarHBondContact O-N 3.16Å; R372-G374 VanDerWaalsContact C-N 3.29Å; R372-D456 IonicContact CZ-OD1 3.63Å; R372-D456 IonicContact NE-OD1 3.16Å; R372-D456 PolarHBondContact NE-OD1 3.33Å; R372-D456 VanDerWaalsContact NE-OD1 3.14Å; R372-D456 IonicContact NH2-OD1 3.35Å; R372-D456 PolarHBondContact NH2-OD1 2.83Å; R372-W459 HydrophobicContact CB-CH2 4.37Å; R372-W459 VanDerWaalsContact CD-CE3 3.44Å
373	T	90.8	Very high	90.8	Very high	11 Å²	11	15.3 Å²	15.3	7%	0.067	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.2	171.7	59.8	0	0	0	0	113.8	F293 L294 L297 T316 V320 Y369 C370 L371 D375	F293-T373 HydrophobicContact CD1-CG2 3.92Å; F293-T373 HydrophobicContact CE1-CG2 4.07Å; L294-T373 HydrophobicContact CD1-CG2 4.2Å; L297-T373 HydrophobicContact CD1-CG2 3.45Å; L297-T373 VanDerWaalsContact CD1-CG2 3.45Å; T316-T373 HydrophobicContact CG2-CG2 4.12Å; T316-T373 VanDerWaalsContact CG2-OG1 3.23Å; T316-T373 WeakPolarHBondContact CG2-OG1 3.44Å; V320-T373 HydrophobicContact CG2-CG2 4.21Å; Y369-T373 WeakPolarHBondContact O-CG2 3.3Å; Y369-T373 PolarHBondContact O-N 3.25Å; Y369-T373 VanDerWaalsContact O-N 3.12Å; C370-T373 PolarHBondContact O-N 3.06Å; C370-T373 PolarHBondContact O-OG1 3.3Å; L371-T373 VanDerWaalsContact C-N 3.25Å; L371-T373 PolarHBondContact O-N 3.18Å; T373-D375 PolarHBondContact O-N 2.77Å
374	G	88.6	Confident	90.8	Very high	14 Å²	14	21 Å²	21	14%	0.144	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-7.2	-178.6	0	0	0	0	0	115.2	E290 L371 R372 T376 R405	E290-G374 VanDerWaalsContact OE2-CA 3.23Å; E290-G374 WeakPolarHBondContact OE2-CA 3.37Å; L371-G374 PolarHBondContact O-N 3.49Å; R372-G374 VanDerWaalsContact C-N 3.29Å; G374-T376 VanDerWaalsContact C-N 3.3Å; G374-T376 PolarHBondContact O-N 2.81Å; G374-R405 PolarHBondContact O-NH2 3.21Å
375	D	89.9	Confident	90.7	Very high	43 Å²	43	25.8 Å²	25.8	23%	0.23	13%	0.128	C	C	.	.			trans	-77.4	80.6	178	-165.2	-22.2	0	0	0	110.9	T316 T373 Q377 V378 T379	T316-D375 VanDerWaalsContact CB-OD2 3.25Å; T316-D375 WeakPolarHBondContact CB-OD2 3.32Å; T316-D375 HydrophobicContact CG2-CB 3.9Å; T316-D375 PolarHBondContact OG1-OD2 3.18Å; T373-D375 PolarHBondContact O-N 2.77Å; D375-Q377 VanDerWaalsContact C-N 3.26Å; D375-Q377 PolarHBondContact O-N 3.48Å; D375-Q377 PolarHBondContact OD1-N 3.25Å; D375-V378 HydrophobicContact CB-CB 4.28Å; D375-V378 VanDerWaalsContact CG-CG2 3.46Å; D375-V378 PolarHBondContact O-N 3.45Å; D375-V378 WeakPolarHBondContact OD1-CG2 3.5Å; D375-V378 PolarHBondContact OD1-N 3.48Å; D375-V378 WeakPolarHBondContact OD2-CG2 3.44Å; D375-T379 PolarHBondContact O-N 3.16Å; D375-T379 PolarHBondContact O-OG1 3.15Å
376	T	89.3	Confident	90.5	Very high	34 Å²	34	26 Å²	26	21%	0.209	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-32.8	-178.5	50.4	0	0	0	0	112.9	G374 T379 L380 V401 R405	G374-T376 VanDerWaalsContact C-N 3.3Å; G374-T376 PolarHBondContact O-N 2.81Å; T376-T379 PolarHBondContact O-N 2.91Å; T376-L380 WeakPolarHBondContact O-CB 3.37Å; T376-L380 PolarHBondContact O-N 2.9Å; T376-V401 HydrophobicContact CG2-CG2 4.18Å; T376-R405 HydrophobicContact CG2-CG 4.33Å
377	Q	91.1	Very high	90.3	Very high	94 Å²	94	30 Å²	30	44%	0.439	15%	0.151	S	C	.	.	H	α-helix	trans	-69.2	-47.2	-179.5	-178.8	56.4	36.2	0	0	111.1	D375 T379 L380 E381	D375-Q377 VanDerWaalsContact C-N 3.26Å; D375-Q377 PolarHBondContact O-N 3.48Å; D375-Q377 PolarHBondContact OD1-N 3.25Å; Q377-T379 VanDerWaalsContact C-N 3.31Å; Q377-T379 PolarHBondContact O-N 2.89Å; Q377-L380 PolarHBondContact O-N 2.94Å; Q377-E381 PolarHBondContact NE2-OE1 3.12Å; Q377-E381 WeakPolarHBondContact O-CG 3.39Å; Q377-E381 PolarHBondContact O-N 2.92Å; Q377-E381 VanDerWaalsContact O-N 3.09Å
378	V	91.1	Very high	89.9	Confident	17 Å²	17	37.4 Å²	37.4	10%	0.103	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-38.6	175.4	168.9	0	0	0	0	111.5	R317 D375 L380 E381 V382	R317-V378 HydrophobicContact CB-CG1 3.6Å; R317-V378 HydrophobicContact CG-CG1 4.26Å; D375-V378 HydrophobicContact CB-CB 4.28Å; D375-V378 VanDerWaalsContact CG-CG2 3.46Å; D375-V378 PolarHBondContact O-N 3.45Å; D375-V378 WeakPolarHBondContact OD1-CG2 3.5Å; D375-V378 PolarHBondContact OD1-N 3.48Å; D375-V378 WeakPolarHBondContact OD2-CG2 3.44Å; V378-L380 VanDerWaalsContact C-N 3.26Å; V378-L380 PolarHBondContact O-N 3.35Å; V378-E381 PolarHBondContact O-N 2.87Å; V378-V382 WeakPolarHBondContact O-CG2 3.31Å; V378-V382 PolarHBondContact O-N 2.86Å
379	T	91.4	Very high	89.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-42.4	175.9	-53	0	0	0	0	111.1	I367 C370 L371 D375 T376 Q377 V382 A383 L397	I367-T379 HydrophobicContact CG2-CG2 4.02Å; C370-T379 HydrophobicContact CB-CG2 4.26Å; C370-T379 VanDerWaalsContact CB-OG1 3.27Å; C370-T379 WeakPolarHBondContact CB-OG1 3.4Å; C370-T379 PolarHBondContact O-OG1 3.33Å; L371-T379 HydrophobicContact CB-CG2 4.16Å; L371-T379 PolarHBondContact N-OG1 2.86Å; D375-T379 PolarHBondContact O-N 3.16Å; D375-T379 PolarHBondContact O-OG1 3.15Å; T376-T379 PolarHBondContact O-N 2.91Å; Q377-T379 VanDerWaalsContact C-N 3.31Å; Q377-T379 PolarHBondContact O-N 2.89Å; T379-V382 PolarHBondContact O-N 2.92Å; T379-A383 PolarHBondContact O-N 3.4Å; T379-A383 VanDerWaalsContact O-N 3.11Å; T379-L397 HydrophobicContact CG2-CD1 4.48Å; T379-L397 HydrophobicContact CG2-CD2 4.13Å
380	L	91	Very high	89.1	Confident	10 Å²	10	42 Å²	42	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-67.5	-38.9	177.9	178.9	60.8	0	0	0	112.8	T376 Q377 V378 A383 R384 V394 L397 E398	T376-L380 WeakPolarHBondContact O-CB 3.37Å; T376-L380 PolarHBondContact O-N 2.9Å; Q377-L380 PolarHBondContact O-N 2.94Å; V378-L380 VanDerWaalsContact C-N 3.26Å; V378-L380 PolarHBondContact O-N 3.35Å; L380-A383 PolarHBondContact O-N 3.42Å; L380-R384 HydrophobicContact CD1-CG 4.36Å; L380-R384 WeakPolarHBondContact O-CB 3.37Å; L380-R384 WeakPolarHBondContact O-CG 3.33Å; L380-R384 PolarHBondContact O-N 3.35Å; L380-V394 HydrophobicContact CD1-CG1 4.15Å; L380-L397 HydrophobicContact CD1-CD2 4.34Å; L380-L397 HydrophobicContact CD1-CG 4.48Å; L380-E398 HydrophobicContact CD1-CB 4.45Å; L380-E398 HydrophobicContact CD1-CG 3.29Å; L380-E398 HydrophobicContact CD2-CG 3.85Å; L380-E398 HydrophobicContact CG-CG 4.19Å
381	E	90.7	Very high	88.7	Confident	76 Å²	76	43.7 Å²	43.7	36%	0.355	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-43.9	175.5	-71.5	170.7	-166.1	0	0	112	Q377 V378 A383 R384 D385	Q377-E381 PolarHBondContact NE2-OE1 3.12Å; Q377-E381 WeakPolarHBondContact O-CG 3.39Å; Q377-E381 PolarHBondContact O-N 2.92Å; Q377-E381 VanDerWaalsContact O-N 3.09Å; V378-E381 PolarHBondContact O-N 2.87Å; E381-A383 VanDerWaalsContact C-N 3.34Å; E381-A383 PolarHBondContact O-N 2.99Å; E381-R384 PolarHBondContact O-N 3.39Å; E381-D385 PolarHBondContact O-N 3.43Å
382	V	89.7	Confident	88.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-43.6	175.3	171.2	0	0	0	0	111	R317 V358 M366 I367 V378 T379 R384 D385 A386	R317-V382 HydrophobicContact CG-CG2 3.99Å; V358-V382 HydrophobicContact CG1-CG1 4.23Å; M366-V382 HydrophobicContact CB-CG1 4.07Å; M366-V382 HydrophobicContact CE-CG2 4.02Å; M366-V382 HydrophobicContact CG-CB 4.48Å; M366-V382 HydrophobicContact CG-CG1 3.54Å; M366-V382 HydrophobicContact CG-CG2 4.11Å; I367-V382 HydrophobicContact CG1-CG1 3.93Å; V378-V382 WeakPolarHBondContact O-CG2 3.31Å; V378-V382 PolarHBondContact O-N 2.86Å; T379-V382 PolarHBondContact O-N 2.92Å; V382-R384 PolarHBondContact O-N 2.81Å; V382-D385 PolarHBondContact O-N 3Å; V382-A386 PolarHBondContact O-N 3.17Å
383	A	90.1	Very high	88.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-36.7	178.8	0	0	0	0	0	112.4	I367 T379 L380 E381 A386 L387 L390 V394 L397	I367-A383 HydrophobicContact CD1-CB 4.26Å; T379-A383 PolarHBondContact O-N 3.4Å; T379-A383 VanDerWaalsContact O-N 3.11Å; L380-A383 PolarHBondContact O-N 3.42Å; E381-A383 VanDerWaalsContact C-N 3.34Å; E381-A383 PolarHBondContact O-N 2.99Å; A383-A386 CarbonylContact O-C 3.34Å; A383-A386 PolarHBondContact O-N 3.47Å; A383-L387 PolarHBondContact O-N 2.98Å; A383-L390 HydrophobicContact CB-CD1 4.28Å; A383-L390 WeakPolarHBondContact O-CD1 3.47Å; A383-V394 HydrophobicContact CB-CG2 4.18Å; A383-V394 WeakPolarHBondContact O-CG2 3.38Å; A383-L397 HydrophobicContact CB-CD2 3.61Å
384	R	90.8	Very high	88	Confident	119 Å²	119	49.4 Å²	49.4	45%	0.449	26%	0.264	S	S	.	.	H	α-helix	trans	-66.9	-36.4	175.4	-76.5	172.7	172.9	175.3	-2.7	112.6	L380 E381 V382 A386 L387 V394 E398	L380-R384 HydrophobicContact CD1-CG 4.36Å; L380-R384 WeakPolarHBondContact O-CB 3.37Å; L380-R384 WeakPolarHBondContact O-CG 3.33Å; L380-R384 PolarHBondContact O-N 3.35Å; E381-R384 PolarHBondContact O-N 3.39Å; V382-R384 PolarHBondContact O-N 2.81Å; R384-A386 PolarHBondContact O-N 3.46Å; R384-L387 WeakPolarHBondContact O-CB 3.49Å; R384-L387 PolarHBondContact O-N 2.92Å; R384-L387 VanDerWaalsContact O-N 3.15Å; R384-V394 HydrophobicContact CG-CG1 3.75Å; R384-E398 IonicContact CZ-OE1 3.99Å; R384-E398 IonicContact NE-OE1 2.99Å; R384-E398 PolarHBondContact NE-OE1 2.88Å; R384-E398 IonicContact NH2-OE1 2.7Å; R384-E398 PolarHBondContact NH2-OE1 3.32Å
385	D	88.6	Confident	87.9	Confident	101 Å²	101	52.8 Å²	52.8	54%	0.54	28%	0.281	S	S	.	.	H	α-helix	trans	-66.4	-27.9	176	-74.4	-9.4	0	0	0	112.5	R317 E381 V382	R317-D385 IonicContact CZ-OD2 2.86Å; R317-D385 IonicContact NH1-OD2 3.16Å; R317-D385 PolarHBondContact NH1-OD2 3.15Å; R317-D385 IonicContact NH2-OD2 3.33Å; R317-D385 PolarHBondContact NH2-OD2 2.88Å; E381-D385 PolarHBondContact O-N 3.43Å; V382-D385 PolarHBondContact O-N 3Å
386	A	87.1	Confident	87.8	Confident	5 Å²	5	52 Å²	52	4%	0.041	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	17.5	173	0	0	0	0	0	114.1	V358 V363 V382 A383 R384 N388 N389 L390	V358-A386 HydrophobicContact CG2-CB 3.59Å; V363-A386 HydrophobicContact CG1-CB 3.84Å; V363-A386 HydrophobicContact CG2-CB 3.86Å; V382-A386 PolarHBondContact O-N 3.17Å; A383-A386 CarbonylContact O-C 3.34Å; A383-A386 PolarHBondContact O-N 3.47Å; R384-A386 PolarHBondContact O-N 3.46Å; A386-N388 PolarHBondContact O-N 3.28Å; A386-N388 VanDerWaalsContact O-N 3.09Å; A386-N389 PolarHBondContact O-N 3.02Å; A386-L390 HydrophobicContact CB-CD1 3.4Å; A386-L390 HydrophobicContact CB-CG 4.2Å; A386-L390 PolarHBondContact O-N 2.84Å; A386-L390 VanDerWaalsContact O-N 3.08Å
387	L	86.2	Confident	87.7	Confident	84 Å²	84	50.4 Å²	50.4	44%	0.44	27%	0.268	S	S	.	.	H	α-helix	trans	-51.5	-39.1	-174.2	178.3	67.2	0	0	0	113.5	A383 R384 N389 L390 G391 V394	A383-L387 PolarHBondContact O-N 2.98Å; R384-L387 WeakPolarHBondContact O-CB 3.49Å; R384-L387 PolarHBondContact O-N 2.92Å; R384-L387 VanDerWaalsContact O-N 3.15Å; L387-N389 PolarHBondContact O-N 2.69Å; L387-L390 PolarHBondContact O-N 3.07Å; L387-G391 PolarHBondContact O-N 2.74Å; L387-V394 HydrophobicContact CD1-CB 3.8Å; L387-V394 HydrophobicContact CD1-CG1 4.26Å; L387-V394 HydrophobicContact CD1-CG2 3.56Å
388	N	83.1	Confident	87.7	Confident	157 Å²	157	48.6 Å²	48.6	84%	0.84	26%	0.26	S	S	*	.	H	α-helix	trans	-59.2	-31.1	-178.6	-66.6	-22.8	0	0	0	113.1	A386	A386-N388 PolarHBondContact O-N 3.28Å; A386-N388 VanDerWaalsContact O-N 3.09Å
389	N	83.8	Confident	87.5	Confident	94 Å²	94	48.7 Å²	48.7	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-97.5	-34.2	-178.6	-58.1	-20.2	0	0	0	111.6	D355 A386 L387	D355-N389 HydrophobicContact CB-CB 3.97Å; D355-N389 VanDerWaalsContact O-CB 3.32Å; D355-N389 WeakPolarHBondContact O-CB 3.36Å; D355-N389 PolarHBondContact O-ND2 3.43Å; A386-N389 PolarHBondContact O-N 3.02Å; L387-N389 PolarHBondContact O-N 2.69Å
390	L	83.9	Confident	87.3	Confident	13 Å²	13	49.1 Å²	49.1	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-81.5	-26.4	-176	-72.8	158.1	0	0	0	113.9	V363 W364 I367 A383 A386 L387 N392 F393 V394	V363-L390 HydrophobicContact CG1-CD1 3.93Å; V363-L390 HydrophobicContact CG1-CD2 4.29Å; V363-L390 HydrophobicContact CG1-CG 4.34Å; W364-L390 HydrophobicContact CH2-CD2 3.39Å; W364-L390 HydrophobicContact CZ2-CD2 3.34Å; W364-L390 HydrophobicContact CZ3-CD2 4.18Å; I367-L390 HydrophobicContact CD1-CD1 3.92Å; I367-L390 HydrophobicContact CD1-CD2 4.09Å; A383-L390 HydrophobicContact CB-CD1 4.28Å; A383-L390 WeakPolarHBondContact O-CD1 3.47Å; A386-L390 HydrophobicContact CB-CD1 3.4Å; A386-L390 HydrophobicContact CB-CG 4.2Å; A386-L390 PolarHBondContact O-N 2.84Å; A386-L390 VanDerWaalsContact O-N 3.08Å; L387-L390 PolarHBondContact O-N 3.07Å; L390-N392 PolarHBondContact O-N 2.88Å; L390-F393 HydrophobicContact CB-CB 4.27Å; L390-F393 HydrophobicContact CD2-CB 4.41Å; L390-F393 HydrophobicContact CD2-CD1 3.81Å; L390-F393 HydrophobicContact CD2-CE1 4.42Å; L390-F393 HydrophobicContact CD2-CG 4.25Å; L390-F393 WeakPolarHBondContact O-CB 3.41Å; L390-F393 PolarHBondContact O-N 3.1Å; L390-V394 HydrophobicContact CB-CG2 4.06Å; L390-V394 HydrophobicContact CD1-CG2 4.45Å
391	G	82.4	Confident	87.1	Confident	36 Å²	36	50 Å²	50	37%	0.371	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	-121.9	178.9	0	0	0	0	0	113.4	L387 F393 V394	L387-G391 PolarHBondContact O-N 2.74Å; G391-F393 PolarHBondContact O-N 2.9Å; G391-F393 VanDerWaalsContact O-N 3.15Å; G391-V394 PolarHBondContact O-N 3.07Å
392	N	82.8	Confident	87	Confident	132 Å²	132	52 Å²	52	71%	0.706	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.7	-176.1	-69.7	-20.6	0	0	0	114.1	L390 V394 T395 V396	L390-N392 PolarHBondContact O-N 2.88Å; N392-V394 VanDerWaalsContact C-N 3.26Å; N392-V394 PolarHBondContact O-N 3.2Å; N392-T395 PolarHBondContact O-N 3.48Å; N392-T395 PolarHBondContact O-OG1 3.34Å; N392-V396 PolarHBondContact O-N 3.02Å
393	F	88.1	Confident	86.6	Confident	5 Å²	5	55.1 Å²	55.1	2%	0.022	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-38.5	-179.1	178.7	-94.6	0	0	0	112.4	W364 I367 L390 G391 T395 V396 L397 T434 Y435 L438	W364-F393 HydrophobicContact CH2-CD1 4.13Å; W364-F393 AromaticContact CH2-CD2 3.92Å; W364-F393 HydrophobicContact CH2-CD2 3.92Å; W364-F393 HydrophobicContact CH2-CE1 4.13Å; W364-F393 AromaticContact CH2-CE2 3.89Å; W364-F393 HydrophobicContact CH2-CE2 3.89Å; W364-F393 HydrophobicContact CH2-CG 4.03Å; W364-F393 HydrophobicContact CH2-CZ 4.01Å; W364-F393 HydrophobicContact CZ3-CD1 4.41Å; W364-F393 HydrophobicContact CZ3-CD2 4.31Å; W364-F393 AromaticContact CZ3-CE1 3.94Å; W364-F393 HydrophobicContact CZ3-CE1 3.94Å; W364-F393 AromaticContact CZ3-CE2 3.8Å; W364-F393 HydrophobicContact CZ3-CE2 3.8Å; W364-F393 AromaticContact CZ3-CZ 3.61Å; W364-F393 HydrophobicContact CZ3-CZ 3.61Å; I367-F393 HydrophobicContact CD1-CE1 4.19Å; I367-F393 HydrophobicContact CG2-CE1 4.37Å; I367-F393 HydrophobicContact CG2-CZ 4.48Å; L390-F393 HydrophobicContact CB-CB 4.27Å; L390-F393 HydrophobicContact CD2-CB 4.41Å; L390-F393 HydrophobicContact CD2-CD1 3.81Å; L390-F393 HydrophobicContact CD2-CE1 4.42Å; L390-F393 HydrophobicContact CD2-CG 4.25Å; L390-F393 WeakPolarHBondContact O-CB 3.41Å; L390-F393 PolarHBondContact O-N 3.1Å; G391-F393 PolarHBondContact O-N 2.9Å; G391-F393 VanDerWaalsContact O-N 3.15Å; F393-T395 VanDerWaalsContact C-N 3.31Å; F393-T395 PolarHBondContact O-N 3.17Å; F393-V396 PolarHBondContact O-N 3.37Å; F393-V396 VanDerWaalsContact O-N 3.16Å; F393-L397 HydrophobicContact CE1-CB 4.46Å; F393-L397 HydrophobicContact CE1-CD2 4.32Å; F393-L397 PolarHBondContact O-N 2.91Å; F393-T434 HydrophobicContact CE2-CG2 4.34Å; F393-T434 HydrophobicContact CZ-CG2 3.82Å; F393-Y435 HydrophobicContact CD2-CE1 4.03Å; F393-Y435 AromaticContact CD2-CE2 3.91Å; F393-Y435 HydrophobicContact CD2-CE2 3.91Å; F393-Y435 AromaticContact CD2-CZ 3.55Å; F393-Y435 WeakPolarHBondContact CD2-OH 3.32Å; F393-Y435 HydrophobicContact CE2-CD2 4.38Å; F393-Y435 HydrophobicContact CE2-CE1 4.46Å; F393-Y435 HydrophobicContact CE2-CE2 4.04Å; F393-L438 HydrophobicContact CE2-CD1 3.48Å; F393-L438 VanDerWaalsContact CE2-CD1 3.48Å; F393-L438 HydrophobicContact CZ-CD1 3.54Å
394	V	88.1	Confident	86.1	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-40.7	179.9	-175.3	0	0	0	0	111.2	L380 A383 R384 L387 L390 G391 N392 V396 L397 E398	L380-V394 HydrophobicContact CD1-CG1 4.15Å; A383-V394 HydrophobicContact CB-CG2 4.18Å; A383-V394 WeakPolarHBondContact O-CG2 3.38Å; R384-V394 HydrophobicContact CG-CG1 3.75Å; L387-V394 HydrophobicContact CD1-CB 3.8Å; L387-V394 HydrophobicContact CD1-CG1 4.26Å; L387-V394 HydrophobicContact CD1-CG2 3.56Å; L390-V394 HydrophobicContact CB-CG2 4.06Å; L390-V394 HydrophobicContact CD1-CG2 4.45Å; G391-V394 PolarHBondContact O-N 3.07Å; N392-V394 VanDerWaalsContact C-N 3.26Å; N392-V394 PolarHBondContact O-N 3.2Å; V394-V396 VanDerWaalsContact C-N 3.32Å; V394-V396 PolarHBondContact O-N 3.3Å; V394-L397 PolarHBondContact O-N 3.34Å; V394-E398 WeakPolarHBondContact O-CG 3.39Å; V394-E398 PolarHBondContact O-N 2.95Å
395	T	87.4	Confident	85.7	Confident	84 Å²	84	55.8 Å²	55.8	52%	0.515	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-34.2	178.3	66.3	0	0	0	0	112.9	N392 F393 D399	N392-T395 PolarHBondContact O-N 3.48Å; N392-T395 PolarHBondContact O-OG1 3.34Å; F393-T395 VanDerWaalsContact C-N 3.31Å; F393-T395 PolarHBondContact O-N 3.17Å; T395-D399 PolarHBondContact O-N 2.95Å; T395-D399 VanDerWaalsContact O-N 3.12Å
396	V	86.7	Confident	85.3	Confident	26 Å²	26	54.7 Å²	54.7	16%	0.158	30%	0.3	C	S	.	.	H	α-helix	trans	-71.3	-41.9	175.9	177.8	0	0	0	0	110.3	N392 F393 V394 E398 D399 Y400 L407 F415	N392-V396 PolarHBondContact O-N 3.02Å; F393-V396 PolarHBondContact O-N 3.37Å; F393-V396 VanDerWaalsContact O-N 3.16Å; V394-V396 VanDerWaalsContact C-N 3.32Å; V394-V396 PolarHBondContact O-N 3.3Å; V396-E398 VanDerWaalsContact C-N 3.33Å; V396-E398 PolarHBondContact O-N 3.38Å; V396-D399 PolarHBondContact O-N 2.89Å; V396-Y400 WeakPolarHBondContact O-CB 3.4Å; V396-Y400 PolarHBondContact O-N 3.3Å; V396-L407 HydrophobicContact CG1-CD1 3.84Å; V396-L407 HydrophobicContact CG1-CD2 3.6Å; V396-L407 HydrophobicContact CG1-CG 4.38Å; V396-L407 WeakPolarHBondContact O-CD2 3.5Å; V396-F415 HydrophobicContact CB-CD2 4.25Å; V396-F415 HydrophobicContact CB-CE2 4.15Å; V396-F415 HydrophobicContact CG1-CD1 4.18Å; V396-F415 HydrophobicContact CG1-CD2 3.67Å; V396-F415 HydrophobicContact CG1-CE1 4.18Å; V396-F415 HydrophobicContact CG1-CE2 3.66Å; V396-F415 HydrophobicContact CG1-CG 3.92Å; V396-F415 HydrophobicContact CG1-CZ 3.92Å; V396-F415 HydrophobicContact CG2-CD2 3.79Å; V396-F415 HydrophobicContact CG2-CE2 4.02Å
397	L	88.3	Confident	84.8	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-40.8	175.3	-175.5	65	0	0	0	111.2	T379 L380 A383 F393 V394 D399 Y400 V401 L438	T379-L397 HydrophobicContact CG2-CD1 4.48Å; T379-L397 HydrophobicContact CG2-CD2 4.13Å; L380-L397 HydrophobicContact CD1-CD2 4.34Å; L380-L397 HydrophobicContact CD1-CG 4.48Å; A383-L397 HydrophobicContact CB-CD2 3.61Å; F393-L397 HydrophobicContact CE1-CB 4.46Å; F393-L397 HydrophobicContact CE1-CD2 4.32Å; F393-L397 PolarHBondContact O-N 2.91Å; V394-L397 PolarHBondContact O-N 3.34Å; L397-D399 PolarHBondContact O-N 3.21Å; L397-Y400 HydrophobicContact CD1-CD1 4.46Å; L397-Y400 WeakPolarHBondContact O-CB 3.47Å; L397-Y400 PolarHBondContact O-N 2.87Å; L397-V401 HydrophobicContact CD1-CG2 4.4Å; L397-V401 HydrophobicContact CG-CG2 4.46Å; L397-V401 VanDerWaalsContact O-CG2 3.29Å; L397-V401 WeakPolarHBondContact O-CG2 3.2Å; L397-V401 PolarHBondContact O-N 3.37Å; L397-L438 HydrophobicContact CD1-CD1 4.44Å; L397-L438 HydrophobicContact CD1-CD2 4.32Å
398	E	89.4	Confident	84.2	Confident	56 Å²	56	57.6 Å²	57.6	26%	0.262	31%	0.305	S	S	.	.	H	α-helix	trans	-59.6	-44.1	173	-73.8	-178.1	177	0	0	112.3	L380 R384 V394 V396 Y400 V401 N402	L380-E398 HydrophobicContact CD1-CB 4.45Å; L380-E398 HydrophobicContact CD1-CG 3.29Å; L380-E398 HydrophobicContact CD2-CG 3.85Å; L380-E398 HydrophobicContact CG-CG 4.19Å; R384-E398 IonicContact CZ-OE1 3.99Å; R384-E398 IonicContact NE-OE1 2.99Å; R384-E398 PolarHBondContact NE-OE1 2.88Å; R384-E398 IonicContact NH2-OE1 2.7Å; R384-E398 PolarHBondContact NH2-OE1 3.32Å; V394-E398 WeakPolarHBondContact O-CG 3.39Å; V394-E398 PolarHBondContact O-N 2.95Å; V396-E398 VanDerWaalsContact C-N 3.33Å; V396-E398 PolarHBondContact O-N 3.38Å; E398-Y400 VanDerWaalsContact C-N 3.33Å; E398-Y400 PolarHBondContact O-N 3.28Å; E398-V401 PolarHBondContact O-N 3.31Å; E398-N402 WeakPolarHBondContact O-CB 3.39Å; E398-N402 VanDerWaalsContact O-CG 3.24Å; E398-N402 PolarHBondContact O-N 3.4Å; E398-N402 PolarHBondContact O-ND2 2.72Å
399	D	87.4	Confident	83.6	Confident	19 Å²	19	55.5 Å²	55.5	10%	0.102	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-43	175.5	-166	37.3	0	0	0	111.1	T395 V396 L397 N402 H403 L407 R408 N411	T395-D399 PolarHBondContact O-N 2.95Å; T395-D399 VanDerWaalsContact O-N 3.12Å; V396-D399 PolarHBondContact O-N 2.89Å; L397-D399 PolarHBondContact O-N 3.21Å; D399-N402 PolarHBondContact O-N 2.97Å; D399-H403 PolarHBondContact O-N 3.29Å; D399-H403 PolarHBondContact O-ND1 2.95Å; D399-H403 IonicContact OD1-CE1 3.26Å; D399-H403 PolarHBondContact OD1-CE1 3.46Å; D399-H403 IonicContact OD1-ND1 3.6Å; D399-H403 PolarHBondContact OD1-ND1 3.39Å; D399-L407 HydrophobicContact CB-CD2 4.17Å; D399-R408 IonicContact OD1-NE 3.14Å; D399-R408 PolarHBondContact OD2-N 2.95Å; D399-N411 PolarHBondContact OD2-ND2 2.87Å
400	Y	87.4	Confident	83	Confident	9 Å²	9	55.8 Å²	55.8	4%	0.035	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-45.9	177.6	-179.6	-97.2	0	0	0	112.8	L371 V396 L397 E398 R405 R406 L407 L438	L371-Y400 HydrophobicContact CD1-CE1 4.1Å; V396-Y400 WeakPolarHBondContact O-CB 3.4Å; V396-Y400 PolarHBondContact O-N 3.3Å; L397-Y400 HydrophobicContact CD1-CD1 4.46Å; L397-Y400 WeakPolarHBondContact O-CB 3.47Å; L397-Y400 PolarHBondContact O-N 2.87Å; E398-Y400 VanDerWaalsContact C-N 3.33Å; E398-Y400 PolarHBondContact O-N 3.28Å; Y400-R405 HydrophobicContact CD1-CB 4.42Å; Y400-R405 VanDerWaalsContact CD2-C 3.46Å; Y400-R405 HydrophobicContact CE1-CB 3.67Å; Y400-R405 HydrophobicContact CE1-CG 3.84Å; Y400-R405 HydrophobicContact CE2-CB 4.06Å; Y400-R405 WeakPolarHBondContact CE2-O 3.43Å; Y400-R405 VanDerWaalsContact CZ-CB 3.48Å; Y400-R405 WeakPolarHBondContact O-CA 3.23Å; Y400-R405 PolarHBondContact O-N 3.38Å; Y400-R406 PolarHBondContact O-N 3.47Å; Y400-L407 HydrophobicContact CD2-CD2 4.49Å; Y400-L407 HydrophobicContact CD2-CG 4.42Å; Y400-L438 HydrophobicContact CD1-CD2 3.6Å; Y400-L438 HydrophobicContact CD2-CD2 3.48Å; Y400-L438 VanDerWaalsContact CD2-CD2 3.48Å; Y400-L438 HydrophobicContact CE1-CD2 3.81Å; Y400-L438 HydrophobicContact CE2-CD2 3.67Å; Y400-L438 HydrophobicContact CG-CD2 3.42Å; Y400-L438 VanDerWaalsContact CG-CD2 3.42Å
401	V	88.2	Confident	82.5	Confident	27 Å²	27	58.7 Å²	58.7	16%	0.164	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-40.3	-179.5	171.7	0	0	0	0	111.3	T376 L397 E398 H403	T376-V401 HydrophobicContact CG2-CG2 4.18Å; L397-V401 HydrophobicContact CD1-CG2 4.4Å; L397-V401 HydrophobicContact CG-CG2 4.46Å; L397-V401 VanDerWaalsContact O-CG2 3.29Å; L397-V401 WeakPolarHBondContact O-CG2 3.2Å; L397-V401 PolarHBondContact O-N 3.37Å; E398-V401 PolarHBondContact O-N 3.31Å; V401-H403 VanDerWaalsContact C-N 3.31Å; V401-H403 PolarHBondContact O-N 3.13Å
402	N	87.1	Confident	82.1	Confident	120 Å²	120	58.8 Å²	58.8	64%	0.642	31%	0.312	S	S	*	.	H	α-helix	trans	-73	-18.7	-176.7	-72.4	-38.3	0	0	0	114.4	E398 D399	E398-N402 WeakPolarHBondContact O-CB 3.39Å; E398-N402 VanDerWaalsContact O-CG 3.24Å; E398-N402 PolarHBondContact O-N 3.4Å; E398-N402 PolarHBondContact O-ND2 2.72Å; D399-N402 PolarHBondContact O-N 2.97Å
403	H	82.2	Confident	81.8	Confident	64 Å²	64	55.4 Å²	55.4	30%	0.296	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	48	-177.7	-54	90.3	0	0	0	112.1	D399 V401 R405 R406 R408	D399-H403 PolarHBondContact O-N 3.29Å; D399-H403 PolarHBondContact O-ND1 2.95Å; D399-H403 IonicContact OD1-CE1 3.26Å; D399-H403 PolarHBondContact OD1-CE1 3.46Å; D399-H403 IonicContact OD1-ND1 3.6Å; D399-H403 PolarHBondContact OD1-ND1 3.39Å; V401-H403 VanDerWaalsContact C-N 3.31Å; V401-H403 PolarHBondContact O-N 3.13Å; H403-R405 VanDerWaalsContact C-N 3.33Å; H403-R405 PolarHBondContact O-N 3.39Å; H403-R406 WeakPolarHBondContact CB-O 3.28Å; H403-R406 PolarHBondContact O-N 2.86Å; H403-R406 VanDerWaalsContact O-N 3.16Å; H403-R408 VanDerWaalsContact CE1-CZ 3.46Å; H403-R408 PolarHBondContact CE1-NE 2.97Å; H403-R408 PolarHBondContact CE1-NH2 3.18Å; H403-R408 VanDerWaalsContact NE2-CZ 3.31Å; H403-R408 PolarHBondContact NE2-NE 3.34Å; H403-R408 PolarHBondContact NE2-NH2 3.34Å
404	S	78.8	Confident	81.5	Confident	96 Å²	96	64.1 Å²	64.1	67%	0.671	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	46.4	173	-55.7	0	0	0	0	113.2
405	R	83.1	Confident	81.2	Confident	38 Å²	38	64.5 Å²	64.5	14%	0.143	34%	0.336	C	S	.	.	S	Bend	trans	64	39.1	179.5	-58.1	-179.8	-175.8	173.2	-1.9	112.9	E290 G374 T376 Y400 H403	E290-R405 IonicContact OE1-CZ 2.7Å; E290-R405 IonicContact OE1-NH1 3.03Å; E290-R405 PolarHBondContact OE1-NH1 2.93Å; E290-R405 IonicContact OE1-NH2 3.91Å; E290-R405 IonicContact OE2-CZ 2.62Å; E290-R405 VanDerWaalsContact OE2-CZ 3.28Å; E290-R405 IonicContact OE2-NH1 3.51Å; E290-R405 PolarHBondContact OE2-NH1 3.49Å; E290-R405 IonicContact OE2-NH2 2.73Å; E290-R405 PolarHBondContact OE2-NH2 3.43Å; G374-R405 PolarHBondContact O-NH2 3.21Å; T376-R405 HydrophobicContact CG2-CG 4.33Å; Y400-R405 HydrophobicContact CD1-CB 4.42Å; Y400-R405 VanDerWaalsContact CD2-C 3.46Å; Y400-R405 HydrophobicContact CE1-CB 3.67Å; Y400-R405 HydrophobicContact CE1-CG 3.84Å; Y400-R405 HydrophobicContact CE2-CB 4.06Å; Y400-R405 WeakPolarHBondContact CE2-O 3.43Å; Y400-R405 VanDerWaalsContact CZ-CB 3.48Å; Y400-R405 WeakPolarHBondContact O-CA 3.23Å; Y400-R405 PolarHBondContact O-N 3.38Å; H403-R405 VanDerWaalsContact C-N 3.33Å; H403-R405 PolarHBondContact O-N 3.39Å
406	R	79.6	Confident	80.8	Confident	77 Å²	77	63 Å²	63	29%	0.291	32%	0.321	S	S	.	.			trans	-139.1	148.1	172.8	-66	-167.3	168.4	-157.7	-4	111	N279 Y400 H403	N279-R406 VanDerWaalsContact CG-CZ 3.49Å; N279-R406 PolarHBondContact ND2-NH1 2.93Å; N279-R406 PolarHBondContact OD1-NH1 3.45Å; N279-R406 VanDerWaalsContact OD1-NH1 3.16Å; N279-R406 PolarHBondContact OD1-NH2 2.93Å; Y400-R406 PolarHBondContact O-N 3.47Å; H403-R406 WeakPolarHBondContact CB-O 3.28Å; H403-R406 PolarHBondContact O-N 2.86Å; H403-R406 VanDerWaalsContact O-N 3.16Å
407	L	77.9	Confident	80.6	Confident	15 Å²	15	68.2 Å²	68.2	8%	0.079	34%	0.344	C	S	.	.			trans	-87	147.5	171.3	-64.3	177.2	0	0	0	110	V396 D399 Y400 Q412 F415 L438	V396-L407 HydrophobicContact CG1-CD1 3.84Å; V396-L407 HydrophobicContact CG1-CD2 3.6Å; V396-L407 HydrophobicContact CG1-CG 4.38Å; V396-L407 WeakPolarHBondContact O-CD2 3.5Å; D399-L407 HydrophobicContact CB-CD2 4.17Å; Y400-L407 HydrophobicContact CD2-CD2 4.49Å; Y400-L407 HydrophobicContact CD2-CG 4.42Å; L407-Q412 HydrophobicContact CB-CB 4.27Å; L407-F415 HydrophobicContact CD1-CB 4.1Å; L407-F415 HydrophobicContact CD1-CD1 3.48Å; L407-F415 VanDerWaalsContact CD1-CD1 3.48Å; L407-F415 HydrophobicContact CD1-CE1 4.16Å; L407-F415 HydrophobicContact CD1-CG 3.94Å; L407-L438 WeakPolarHBondContact CD1-O 3.3Å
408	R	72.7	Confident	80.4	Confident	136 Å²	136	70.8 Å²	70.8	51%	0.513	36%	0.359	S	S	.	.			trans	-62.4	142.3	171.6	-65.9	179.5	176.1	169.8	5.1	110.1	D399 H403 P410 N411 Q412	D399-R408 IonicContact OD1-NE 3.14Å; D399-R408 PolarHBondContact OD2-N 2.95Å; H403-R408 VanDerWaalsContact CE1-CZ 3.46Å; H403-R408 PolarHBondContact CE1-NE 2.97Å; H403-R408 PolarHBondContact CE1-NH2 3.18Å; H403-R408 VanDerWaalsContact NE2-CZ 3.31Å; H403-R408 PolarHBondContact NE2-NE 3.34Å; H403-R408 PolarHBondContact NE2-NH2 3.34Å; R408-P410 VanDerWaalsContact C-CD 3.46Å; R408-P410 HydrophobicContact CB-CG 4.38Å; R408-P410 VanDerWaalsContact O-N 3.16Å; R408-N411 CarbonylContact O-C 3.41Å; R408-N411 WeakPolarHBondContact O-CA 3.49Å; R408-N411 WeakPolarHBondContact O-CB 3.38Å; R408-N411 PolarHBondContact O-N 3.13Å; R408-Q412 PolarHBondContact O-N 2.83Å
409	T	71.1	Confident	80.2	Confident	112 Å²	112	68.1 Å²	68.1	69%	0.687	35%	0.347	S	S	*	.	H	α-helix	trans	-43.4	-48.4	-180	-43.1	0	0	0	0	115.3	N411 Q412 A413	T409-N411 VanDerWaalsContact C-N 3.35Å; T409-N411 PolarHBondContact O-N 3.13Å; T409-Q412 PolarHBondContact O-N 3.35Å; T409-A413 PolarHBondContact O-N 3Å
410	P	69.7	Low	80	Confident	100 Å²	100	70.8 Å²	70.8	65%	0.649	36%	0.358	S	S	*	.	H	α-helix	trans	-66.5	-35.1	178.7	25.9	-35.6	0	0	0	113.2	R408	R408-P410 VanDerWaalsContact C-CD 3.46Å; R408-P410 HydrophobicContact CB-CG 4.38Å; R408-P410 VanDerWaalsContact O-N 3.16Å
411	N	73.7	Confident	79.9	Confident	74 Å²	74	76.9 Å²	76.9	40%	0.396	39%	0.386	S	S	.	.	H	α-helix	trans	-75	-33.1	177.8	-70.1	-16.5	0	0	0	111.1	D399 R408 T409 R414 F415	D399-N411 PolarHBondContact OD2-ND2 2.87Å; R408-N411 CarbonylContact O-C 3.41Å; R408-N411 WeakPolarHBondContact O-CA 3.49Å; R408-N411 WeakPolarHBondContact O-CB 3.38Å; R408-N411 PolarHBondContact O-N 3.13Å; T409-N411 VanDerWaalsContact C-N 3.35Å; T409-N411 PolarHBondContact O-N 3.13Å; N411-R414 PolarHBondContact O-N 3.35Å; N411-F415 WeakPolarHBondContact O-CB 3.21Å; N411-F415 PolarHBondContact O-N 2.83Å
412	Q	75	Confident	79.8	Confident	39 Å²	39	76.6 Å²	76.6	18%	0.182	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-48.2	-178.2	-167.2	-176.5	25.6	0	0	112	L407 R408 T409 F415 R416	L407-Q412 HydrophobicContact CB-CB 4.27Å; R408-Q412 PolarHBondContact O-N 2.83Å; T409-Q412 PolarHBondContact O-N 3.35Å; Q412-F415 PolarHBondContact O-N 3.05Å; Q412-R416 WeakPolarHBondContact O-CB 3.49Å; Q412-R416 VanDerWaalsContact O-CG 3.26Å; Q412-R416 WeakPolarHBondContact O-CG 3.07Å; Q412-R416 PolarHBondContact O-N 3.35Å
413	A	76.5	Confident	79.5	Confident	61 Å²	61	71.1 Å²	71.1	50%	0.504	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-44.3	-179.6	0	0	0	0	0	112.5	T409 R416 Q417	T409-A413 PolarHBondContact O-N 3Å; A413-R416 PolarHBondContact O-N 3.47Å; A413-Q417 PolarHBondContact O-N 2.91Å
414	R	81.1	Confident	79.6	Confident	188 Å²	188	76.8 Å²	76.8	71%	0.709	38%	0.379	S	S	*	.	H	α-helix	trans	-65.8	-44.4	177.1	-172.8	179.4	-179.2	-173.7	0.4	111.4	N411 Q417 T418	N411-R414 PolarHBondContact O-N 3.35Å; R414-Q417 PolarHBondContact O-N 3.18Å; R414-T418 PolarHBondContact O-N 3.09Å; R414-T418 PolarHBondContact O-OG1 3.45Å
415	F	81.7	Confident	79.9	Confident	12 Å²	12	76.7 Å²	76.7	5%	0.053	38%	0.378	C	S	.	.	H	α-helix	trans	-67.9	-34	179.4	-173.6	-106.5	0	0	0	112.2	V396 L407 N411 Q412 Q417 T418 C419 Y435 L438	V396-F415 HydrophobicContact CB-CD2 4.25Å; V396-F415 HydrophobicContact CB-CE2 4.15Å; V396-F415 HydrophobicContact CG1-CD1 4.18Å; V396-F415 HydrophobicContact CG1-CD2 3.67Å; V396-F415 HydrophobicContact CG1-CE1 4.18Å; V396-F415 HydrophobicContact CG1-CE2 3.66Å; V396-F415 HydrophobicContact CG1-CG 3.92Å; V396-F415 HydrophobicContact CG1-CZ 3.92Å; V396-F415 HydrophobicContact CG2-CD2 3.79Å; V396-F415 HydrophobicContact CG2-CE2 4.02Å; L407-F415 HydrophobicContact CD1-CB 4.1Å; L407-F415 HydrophobicContact CD1-CD1 3.48Å; L407-F415 VanDerWaalsContact CD1-CD1 3.48Å; L407-F415 HydrophobicContact CD1-CE1 4.16Å; L407-F415 HydrophobicContact CD1-CG 3.94Å; N411-F415 WeakPolarHBondContact O-CB 3.21Å; N411-F415 PolarHBondContact O-N 2.83Å; Q412-F415 PolarHBondContact O-N 3.05Å; F415-Q417 VanDerWaalsContact C-N 3.33Å; F415-Q417 PolarHBondContact O-N 2.82Å; F415-T418 CarbonylContact O-C 3.51Å; F415-T418 PolarHBondContact O-N 3.43Å; F415-C419 VanDerWaalsContact O-CB 3.3Å; F415-C419 WeakPolarHBondContact O-CB 3.3Å; F415-C419 PolarHBondContact O-N 3.44Å; F415-Y435 HydrophobicContact CE1-CD1 4.48Å; F415-Y435 HydrophobicContact CE2-CD1 4.05Å; F415-Y435 AromaticContact CE2-CE1 3.82Å; F415-Y435 HydrophobicContact CE2-CE1 3.82Å; F415-Y435 AromaticContact CZ-CD1 3.62Å; F415-Y435 HydrophobicContact CZ-CD1 3.62Å; F415-Y435 AromaticContact CZ-CE1 3.84Å; F415-Y435 HydrophobicContact CZ-CE1 3.84Å; F415-L438 HydrophobicContact CE1-CB 3.63Å; F415-L438 HydrophobicContact CZ-CB 4.09Å
416	R	79.6	Confident	80.1	Confident	53 Å²	53	75.4 Å²	75.4	20%	0.2	38%	0.375	C	S	.	.	H	α-helix	trans	-58.7	-41.9	172.7	-84.4	177.7	-179.7	-172.8	9.4	112.6	Q412 A413 C419 K420 G439	Q412-R416 WeakPolarHBondContact O-CB 3.49Å; Q412-R416 VanDerWaalsContact O-CG 3.26Å; Q412-R416 WeakPolarHBondContact O-CG 3.07Å; Q412-R416 PolarHBondContact O-N 3.35Å; A413-R416 PolarHBondContact O-N 3.47Å; R416-C419 WeakPolarHBondContact O-CB 3.35Å; R416-C419 PolarHBondContact O-N 3.38Å; R416-K420 WeakPolarHBondContact O-CG 3.41Å; R416-K420 PolarHBondContact O-N 2.99Å; R416-G439 WeakPolarHBondContact CG-O 3.22Å; R416-G439 PolarHBondContact NE-O 3.37Å
417	Q	82.4	Confident	80.2	Confident	134 Å²	134	79.4 Å²	79.4	63%	0.626	39%	0.39	S	S	*	.	H	α-helix	trans	-64.9	-44.9	175.7	-67.8	178.5	-1.9	0	0	111.4	A413 R414 F415 C419 K420 Q421	A413-Q417 PolarHBondContact O-N 2.91Å; R414-Q417 PolarHBondContact O-N 3.18Å; F415-Q417 VanDerWaalsContact C-N 3.33Å; F415-Q417 PolarHBondContact O-N 2.82Å; Q417-C419 PolarHBondContact O-N 2.87Å; Q417-K420 PolarHBondContact O-N 3.29Å; Q417-Q421 WeakPolarHBondContact O-CG 3.42Å; Q417-Q421 PolarHBondContact O-N 2.85Å
418	T	84.6	Confident	80.6	Confident	56 Å²	56	78.7 Å²	78.7	34%	0.344	39%	0.386	S	S	.	.	H	α-helix	trans	-60.3	-44.4	174	-53.4	0	0	0	0	111.5	R414 F415 K420 Q421 V422	R414-T418 PolarHBondContact O-N 3.09Å; R414-T418 PolarHBondContact O-OG1 3.45Å; F415-T418 CarbonylContact O-C 3.51Å; F415-T418 PolarHBondContact O-N 3.43Å; T418-K420 PolarHBondContact O-N 3.32Å; T418-Q421 PolarHBondContact O-N 2.9Å; T418-V422 HydrophobicContact CG2-CG2 4.16Å; T418-V422 VanDerWaalsContact O-CG2 3.3Å; T418-V422 WeakPolarHBondContact O-CG2 3.47Å; T418-V422 PolarHBondContact O-N 2.81Å
419	C	84.3	Confident	81.1	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-54.6	-53.7	176.6	167.9	0	0	0	0	111	F415 R416 Q417 Q421 V422 I423 Y435 C441	F415-C419 VanDerWaalsContact O-CB 3.3Å; F415-C419 WeakPolarHBondContact O-CB 3.3Å; F415-C419 PolarHBondContact O-N 3.44Å; R416-C419 WeakPolarHBondContact O-CB 3.35Å; R416-C419 PolarHBondContact O-N 3.38Å; Q417-C419 PolarHBondContact O-N 2.87Å; C419-Q421 PolarHBondContact O-N 3.47Å; C419-V422 PolarHBondContact O-N 3.26Å; C419-V422 VanDerWaalsContact O-N 3.16Å; C419-I423 WeakPolarHBondContact O-CB 3.47Å; C419-I423 VanDerWaalsContact O-CG1 3.3Å; C419-I423 WeakPolarHBondContact O-CG1 3.16Å; C419-I423 PolarHBondContact O-N 3.41Å; C419-I423 WeakPolarHBondContact SG-CD1 3.48Å; C419-Y435 PolarHBondContact SG-O 3.06Å; C419-Y435 VanDerWaalsContact SG-O 3.39Å; C419-C441 HydrophobicContact CB-CB 4.29Å; C419-C441 WeakPolarHBondContact CB-SG 3.48Å; C419-C441 WeakPolarHBondContact SG-CB 3.28Å; C419-C441 CovalentContact SG-SG 2.04Å; C419-C441 PolarHBondContact SG-SG 3.47Å
420	K	82.7	Confident	82	Confident	76 Å²	76	67.2 Å²	67.2	33%	0.33	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-34.7	-180	-70.3	-175	-176.7	-164.8	0	112.7	R416 Q417 T418 K424 D483	R416-K420 WeakPolarHBondContact O-CG 3.41Å; R416-K420 PolarHBondContact O-N 2.99Å; Q417-K420 PolarHBondContact O-N 3.29Å; T418-K420 PolarHBondContact O-N 3.32Å; K420-K424 WeakPolarHBondContact O-CG 3.36Å; K420-D483 IonicContact NZ-OD1 3.87Å; K420-D483 PolarHBondContact NZ-OD1 3.45Å; K420-D483 IonicContact NZ-OD2 2.9Å; K420-D483 PolarHBondContact NZ-OD2 3.47Å
421	Q	86.1	Confident	82.9	Confident	136 Å²	136	63.5 Å²	63.5	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-70.5	-48	175.6	-70.1	174	1.8	0	0	111.3	Q417 T418 C419 K424 S425	Q417-Q421 WeakPolarHBondContact O-CG 3.42Å; Q417-Q421 PolarHBondContact O-N 2.85Å; T418-Q421 PolarHBondContact O-N 2.9Å; C419-Q421 PolarHBondContact O-N 3.47Å; Q421-K424 PolarHBondContact O-N 2.91Å; Q421-S425 WeakPolarHBondContact O-CB 3.19Å; Q421-S425 PolarHBondContact O-N 3Å; Q421-S425 VanDerWaalsContact O-N 3.08Å; Q421-S425 PolarHBondContact O-OG 3.47Å
422	V	85.1	Confident	83.6	Confident	22 Å²	22	62.6 Å²	62.6	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-46.5	-179.2	173.2	0	0	0	0	111.1	T418 C419 K424 S425 T426 K431 Y435	T418-V422 HydrophobicContact CG2-CG2 4.16Å; T418-V422 VanDerWaalsContact O-CG2 3.3Å; T418-V422 WeakPolarHBondContact O-CG2 3.47Å; T418-V422 PolarHBondContact O-N 2.81Å; C419-V422 PolarHBondContact O-N 3.26Å; C419-V422 VanDerWaalsContact O-N 3.16Å; V422-K424 VanDerWaalsContact C-N 3.26Å; V422-K424 PolarHBondContact O-N 3.19Å; V422-S425 WeakPolarHBondContact CA-OG 3Å; V422-S425 PolarHBondContact O-N 2.77Å; V422-S425 PolarHBondContact O-OG 3.27Å; V422-T426 HydrophobicContact CG1-CG2 4.33Å; V422-T426 VanDerWaalsContact O-CG2 3.27Å; V422-T426 WeakPolarHBondContact O-CG2 3.03Å; V422-T426 PolarHBondContact O-N 3.15Å; V422-K431 HydrophobicContact CG1-CD 4.47Å; V422-K431 HydrophobicContact CG1-CG 4.37Å; V422-Y435 HydrophobicContact CB-CD1 4.28Å; V422-Y435 HydrophobicContact CB-CE1 4.33Å; V422-Y435 HydrophobicContact CB-CG 4.46Å; V422-Y435 HydrophobicContact CG1-CD1 4.27Å; V422-Y435 HydrophobicContact CG1-CD2 3.84Å; V422-Y435 HydrophobicContact CG1-CE1 4.27Å; V422-Y435 HydrophobicContact CG1-CE2 3.83Å; V422-Y435 HydrophobicContact CG1-CG 4.06Å; V422-Y435 HydrophobicContact CG2-CD1 4.49Å; V422-Y435 HydrophobicContact CG2-CE1 4.09Å
423	I	82.7	Confident	84.2	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-59.7	-37	-178.6	-69.2	175.5	0	0	0	111.9	C419 R432 D442	C419-I423 WeakPolarHBondContact O-CB 3.47Å; C419-I423 VanDerWaalsContact O-CG1 3.3Å; C419-I423 WeakPolarHBondContact O-CG1 3.16Å; C419-I423 PolarHBondContact O-N 3.41Å; C419-I423 WeakPolarHBondContact SG-CD1 3.48Å; I423-R432 HydrophobicContact CG2-CB 4.44Å; I423-R432 HydrophobicContact CG2-CG 4.4Å; I423-R432 PolarHBondContact O-NE 2.87Å; I423-R432 VanDerWaalsContact O-NE 3.09Å; I423-D442 HydrophobicContact CD1-CB 3.97Å; I423-D442 VanDerWaalsContact CG2-OD2 3.31Å; I423-D442 WeakPolarHBondContact CG2-OD2 3.47Å
424	K	83.6	Confident	84.8	Confident	184 Å²	184	57.8 Å²	57.8	80%	0.8	26%	0.263	S	S	*	.	H	α-helix	trans	-76.8	-27.7	176.9	-69.8	179.1	-178.2	-174.6	0	113.1	K420 Q421 V422	K420-K424 WeakPolarHBondContact O-CG 3.36Å; Q421-K424 PolarHBondContact O-N 2.91Å; V422-K424 VanDerWaalsContact C-N 3.26Å; V422-K424 PolarHBondContact O-N 3.19Å
425	S	85.6	Confident	85.1	Confident	93 Å²	93	49.9 Å²	49.9	65%	0.65	23%	0.233	S	C	*	.	H	α-helix	trans	-89	-32.8	-175.5	65.4	0	0	0	0	114.2	Q421 V422	Q421-S425 WeakPolarHBondContact O-CB 3.19Å; Q421-S425 PolarHBondContact O-N 3Å; Q421-S425 VanDerWaalsContact O-N 3.08Å; Q421-S425 PolarHBondContact O-OG 3.47Å; V422-S425 WeakPolarHBondContact CA-OG 3Å; V422-S425 PolarHBondContact O-N 2.77Å; V422-S425 PolarHBondContact O-OG 3.27Å
426	T	85.8	Confident	85.4	Confident	11 Å²	11	49.3 Å²	49.3	7%	0.067	23%	0.231	C	C	.	.			trans	-91.1	149.5	-174.7	-173.5	0	0	0	0	111.7	D354 V422 D428 K431 R432	D354-T426 WeakPolarHBondContact OD2-CB 3.26Å; D354-T426 PolarHBondContact OD2-OG1 3.26Å; V422-T426 HydrophobicContact CG1-CG2 4.33Å; V422-T426 VanDerWaalsContact O-CG2 3.27Å; V422-T426 WeakPolarHBondContact O-CG2 3.03Å; V422-T426 PolarHBondContact O-N 3.15Å; T426-D428 PolarHBondContact OG1-N 3.22Å; T426-D428 VanDerWaalsContact OG1-N 3.15Å; T426-K431 HydrophobicContact CG2-CB 4.3Å; T426-K431 HydrophobicContact CG2-CD 4.07Å; T426-K431 HydrophobicContact CG2-CG 4.2Å; T426-R432 HydrophobicContact CG2-CG 3.33Å
427	R	82.7	Confident	85.8	Confident	161 Å²	161	46.9 Å²	46.9	61%	0.608	22%	0.221	S	C	*	.			trans	-100.9	-4.9	171.8	-65.7	177.3	176.3	-174.7	-3.7	112.6	E352 P429	E352-R427 HydrophobicContact CB-CB 4.28Å; E352-R427 WeakPolarHBondContact OE1-CD 3.21Å; E352-R427 IonicContact OE1-CZ 3.8Å; E352-R427 IonicContact OE1-NH1 2.8Å; E352-R427 PolarHBondContact OE1-NH1 3.06Å; R427-P429 VanDerWaalsContact O-CD 3.3Å; R427-P429 WeakPolarHBondContact O-CD 3.2Å
428	D	85.4	Confident	85.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.			trans	-76.4	112.3	178.5	-173.7	-36.2	0	0	0	109.9	E352 F353 D354 W364 T426 Y430 K431 R432	E352-D428 VanDerWaalsContact O-CA 3.27Å; E352-D428 WeakPolarHBondContact O-CA 3.24Å; E352-D428 WeakPolarHBondContact O-CB 3.36Å; E352-D428 PolarHBondContact O-N 3.32Å; F353-D428 WeakPolarHBondContact CA-OD2 3.36Å; D354-D428 HydrophobicContact CB-CB 4.36Å; D354-D428 PolarHBondContact N-OD2 2.85Å; W364-D428 VanDerWaalsContact CD1-OD2 3.3Å; T426-D428 PolarHBondContact OG1-N 3.22Å; T426-D428 VanDerWaalsContact OG1-N 3.15Å; D428-Y430 VanDerWaalsContact C-N 3.29Å; D428-Y430 PolarHBondContact O-N 3.2Å; D428-Y430 WeakPolarHBondContact OD1-CA 3.46Å; D428-Y430 WeakPolarHBondContact OD1-CB 3.18Å; D428-Y430 PolarHBondContact OD1-N 2.97Å; D428-K431 HydrophobicContact CB-CB 3.71Å; D428-K431 PolarHBondContact O-N 2.92Å; D428-K431 PolarHBondContact OD1-N 3.16Å; D428-K431 VanDerWaalsContact OD1-N 3.08Å; D428-R432 VanDerWaalsContact O-CG 3.28Å; D428-R432 WeakPolarHBondContact O-CG 3.22Å; D428-R432 PolarHBondContact O-N 3.37Å
429	P	84.8	Confident	85.6	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.032	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-31.7	-176.7	28.9	-36	0	0	0	112.3	W351 R427 R432 L433 I450	W351-P429 HydrophobicContact CD2-CG 4.08Å; W351-P429 HydrophobicContact CG-CG 4.1Å; R427-P429 VanDerWaalsContact O-CD 3.3Å; R427-P429 WeakPolarHBondContact O-CD 3.2Å; P429-R432 PolarHBondContact O-N 3.04Å; P429-L433 WeakPolarHBondContact O-CB 3.39Å; P429-L433 PolarHBondContact O-N 3.47Å; P429-I450 HydrophobicContact CB-CD1 3.95Å; P429-I450 HydrophobicContact CB-CG1 4.32Å; P429-I450 WeakPolarHBondContact O-CD1 3.27Å
430	Y	88.2	Confident	85.3	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-73.5	-37.5	-180	-65.9	-87.2	0	0	0	111	W351 F353 P365 F368 Y369 D428 T434 I450	W351-Y430 HydrophobicContact CZ3-CE2 4.47Å; F353-Y430 HydrophobicContact CE1-CD2 4.07Å; F353-Y430 HydrophobicContact CE1-CE2 4.12Å; P365-Y430 HydrophobicContact CB-CD1 4.25Å; P365-Y430 HydrophobicContact CB-CD2 4.39Å; P365-Y430 HydrophobicContact CB-CE1 4.36Å; P365-Y430 HydrophobicContact CB-CG 4.25Å; P365-Y430 HydrophobicContact CG-CD1 4.33Å; P365-Y430 HydrophobicContact CG-CD2 3.65Å; P365-Y430 HydrophobicContact CG-CE2 3.96Å; P365-Y430 HydrophobicContact CG-CG 3.85Å; F368-Y430 HydrophobicContact CB-CD1 4.12Å; F368-Y430 AromaticContact CD1-CD1 3.75Å; F368-Y430 HydrophobicContact CD1-CD1 3.75Å; F368-Y430 HydrophobicContact CD1-CE1 4.03Å; F368-Y430 HydrophobicContact CG-CD1 4.08Å; Y369-Y430 AromaticContact CE2-CE1 3.75Å; Y369-Y430 HydrophobicContact CE2-CE1 3.75Å; D428-Y430 VanDerWaalsContact C-N 3.29Å; D428-Y430 PolarHBondContact O-N 3.2Å; D428-Y430 WeakPolarHBondContact OD1-CA 3.46Å; D428-Y430 WeakPolarHBondContact OD1-CB 3.18Å; D428-Y430 PolarHBondContact OD1-N 2.97Å; Y430-T434 VanDerWaalsContact O-CB 3.31Å; Y430-T434 WeakPolarHBondContact O-CB 3.5Å; Y430-T434 PolarHBondContact O-N 3.48Å; Y430-T434 PolarHBondContact O-OG1 3.17Å; Y430-I450 HydrophobicContact CD1-CD1 3.76Å; Y430-I450 HydrophobicContact CD1-CG1 4.26Å; Y430-I450 HydrophobicContact CD1-CG2 4.48Å; Y430-I450 HydrophobicContact CD2-CD1 4.4Å; Y430-I450 HydrophobicContact CE1-CD1 4.04Å; Y430-I450 HydrophobicContact CE1-CG1 4.02Å; Y430-I450 HydrophobicContact CE1-CG2 4.01Å; Y430-I450 HydrophobicContact CG-CD1 3.97Å
431	K	89.6	Confident	84.9	Confident	22 Å²	22	35.3 Å²	35.3	10%	0.096	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-50.8	171.1	-171.6	172	-175.7	168.2	0	110.5	D354 D355 W364 V422 T426 D428 L433 T434 Y435	D354-K431 HydrophobicContact CB-CD 3.94Å; D354-K431 WeakPolarHBondContact OD2-CD 3.5Å; D354-K431 IonicContact OD2-NZ 2.74Å; D354-K431 PolarHBondContact OD2-NZ 2.84Å; D355-K431 IonicContact OD1-NZ 3.94Å; D355-K431 WeakPolarHBondContact OD2-CE 3.42Å; D355-K431 IonicContact OD2-NZ 3.73Å; D355-K431 PolarHBondContact OD2-NZ 3.16Å; W364-K431 HydrophobicContact CB-CB 4.35Å; W364-K431 HydrophobicContact CD2-CB 3.67Å; W364-K431 HydrophobicContact CD2-CD 4.24Å; W364-K431 HydrophobicContact CD2-CG 3.73Å; W364-K431 VanDerWaalsContact CE2-CG 3.48Å; W364-K431 HydrophobicContact CE3-CB 4.15Å; W364-K431 HydrophobicContact CE3-CG 4.12Å; W364-K431 HydrophobicContact CG-CB 3.73Å; W364-K431 HydrophobicContact CG-CG 4.24Å; W364-K431 HydrophobicContact CH2-CG 4.13Å; W364-K431 HydrophobicContact CZ2-CD 3.82Å; W364-K431 HydrophobicContact CZ2-CG 3.7Å; W364-K431 HydrophobicContact CZ3-CG 4.31Å; V422-K431 HydrophobicContact CG1-CD 4.47Å; V422-K431 HydrophobicContact CG1-CG 4.37Å; T426-K431 HydrophobicContact CG2-CB 4.3Å; T426-K431 HydrophobicContact CG2-CD 4.07Å; T426-K431 HydrophobicContact CG2-CG 4.2Å; D428-K431 HydrophobicContact CB-CB 3.71Å; D428-K431 PolarHBondContact O-N 2.92Å; D428-K431 PolarHBondContact OD1-N 3.16Å; D428-K431 VanDerWaalsContact OD1-N 3.08Å; K431-L433 VanDerWaalsContact C-N 3.33Å; K431-L433 PolarHBondContact O-N 3.31Å; K431-T434 PolarHBondContact O-N 3.1Å; K431-Y435 HydrophobicContact CG-CD2 3.81Å; K431-Y435 HydrophobicContact CG-CE2 3.82Å; K431-Y435 VanDerWaalsContact O-CD2 3.32Å; K431-Y435 WeakPolarHBondContact O-CD2 3.03Å; K431-Y435 PolarHBondContact O-N 2.88Å
432	R	87.7	Confident	84.1	Confident	55 Å²	55	31.4 Å²	31.4	21%	0.208	15%	0.149	C	C	.	.	H	α-helix	trans	-55.4	-49.4	179.3	-65.5	171.1	77.8	-141.8	-10.2	111.2	I423 T426 D428 P429 Y435 S436 E445	I423-R432 HydrophobicContact CG2-CB 4.44Å; I423-R432 HydrophobicContact CG2-CG 4.4Å; I423-R432 PolarHBondContact O-NE 2.87Å; I423-R432 VanDerWaalsContact O-NE 3.09Å; T426-R432 HydrophobicContact CG2-CG 3.33Å; D428-R432 VanDerWaalsContact O-CG 3.28Å; D428-R432 WeakPolarHBondContact O-CG 3.22Å; D428-R432 PolarHBondContact O-N 3.37Å; P429-R432 PolarHBondContact O-N 3.04Å; R432-Y435 PolarHBondContact O-N 3.08Å; R432-S436 VanDerWaalsContact O-CB 3.28Å; R432-S436 WeakPolarHBondContact O-CB 3.41Å; R432-S436 PolarHBondContact O-N 3.1Å; R432-E445 IonicContact CZ-OE1 2.69Å; R432-E445 IonicContact CZ-OE2 2.74Å; R432-E445 IonicContact NE-OE2 3.07Å; R432-E445 IonicContact NH1-OE1 3Å; R432-E445 PolarHBondContact NH1-OE1 3.08Å; R432-E445 IonicContact NH1-OE2 3.3Å; R432-E445 IonicContact NH2-OE1 2.86Å; R432-E445 PolarHBondContact NH2-OE1 3.49Å; R432-E445 IonicContact NH2-OE2 3.15Å; R432-E445 PolarHBondContact NH2-OE2 3.31Å
433	L	88	Confident	83.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.1	-43.6	179.7	-179.3	59	0	0	0	112.3	F368 P429 K431 Y435 S436 I437 H447 I450 I460	F368-L433 HydrophobicContact CD2-CD2 3.9Å; F368-L433 HydrophobicContact CD2-CG 4.21Å; F368-L433 HydrophobicContact CE1-CD2 4.44Å; F368-L433 HydrophobicContact CE2-CD2 3.26Å; F368-L433 HydrophobicContact CE2-CG 3.84Å; F368-L433 HydrophobicContact CZ-CD2 3.58Å; P429-L433 WeakPolarHBondContact O-CB 3.39Å; P429-L433 PolarHBondContact O-N 3.47Å; K431-L433 VanDerWaalsContact C-N 3.33Å; K431-L433 PolarHBondContact O-N 3.31Å; L433-Y435 PolarHBondContact O-N 2.99Å; L433-S436 WeakPolarHBondContact O-CB 3.32Å; L433-S436 PolarHBondContact O-N 3.48Å; L433-I437 HydrophobicContact CD1-CD1 4.01Å; L433-I437 HydrophobicContact CD1-CG1 4.24Å; L433-I437 HydrophobicContact CG-CD1 3.92Å; L433-I437 WeakPolarHBondContact O-CD1 3.31Å; L433-I437 VanDerWaalsContact O-CG1 3.28Å; L433-I437 WeakPolarHBondContact O-CG1 3.48Å; L433-I437 PolarHBondContact O-N 3.3Å; L433-H447 HydrophobicContact CD1-CB 4.39Å; L433-H447 VanDerWaalsContact CD1-CD2 3.48Å; L433-H447 WeakPolarHBondContact CD1-CD2 3.27Å; L433-I450 HydrophobicContact CB-CD1 4.08Å; L433-I450 HydrophobicContact CD2-CB 4.23Å; L433-I450 HydrophobicContact CD2-CD1 3.66Å; L433-I450 HydrophobicContact CD2-CG2 3.96Å; L433-I460 HydrophobicContact CD1-CD1 3.87Å; L433-I460 HydrophobicContact CD1-CG1 4.15Å; L433-I460 HydrophobicContact CD1-CG2 3.91Å; L433-I460 HydrophobicContact CD2-CD1 3.97Å
434	T	89.2	Confident	82.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-42.5	178.8	-55	0	0	0	0	111.6	W364 I367 F393 Y430 K431 L438	W364-T434 HydrophobicContact CE3-CG2 4.42Å; W364-T434 HydrophobicContact CZ3-CG2 4.18Å; I367-T434 HydrophobicContact CG2-CG2 4.03Å; F393-T434 HydrophobicContact CE2-CG2 4.34Å; F393-T434 HydrophobicContact CZ-CG2 3.82Å; Y430-T434 VanDerWaalsContact O-CB 3.31Å; Y430-T434 WeakPolarHBondContact O-CB 3.5Å; Y430-T434 PolarHBondContact O-N 3.48Å; Y430-T434 PolarHBondContact O-OG1 3.17Å; K431-T434 PolarHBondContact O-N 3.1Å; T434-L438 HydrophobicContact CG2-CD1 4.21Å; T434-L438 WeakPolarHBondContact O-CG 3.43Å; T434-L438 PolarHBondContact O-N 3.21Å; T434-L438 VanDerWaalsContact O-N 3.1Å
435	Y	87.8	Confident	81.7	Confident	22 Å²	22	31.1 Å²	31.1	9%	0.086	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-40.7	174.1	-88.1	-91.4	0	0	0	112.1	W364 F393 F415 C419 V422 K431 R432 L433 I437 L438 G439	W364-Y435 HydrophobicContact CH2-CD2 4.15Å; W364-Y435 AromaticContact CH2-CE2 3.36Å; W364-Y435 HydrophobicContact CH2-CE2 3.36Å; W364-Y435 AromaticContact CZ2-CE2 3.95Å; W364-Y435 HydrophobicContact CZ2-CE2 3.95Å; W364-Y435 HydrophobicContact CZ3-CD2 4.27Å; W364-Y435 AromaticContact CZ3-CE2 3.92Å; W364-Y435 HydrophobicContact CZ3-CE2 3.92Å; F393-Y435 HydrophobicContact CD2-CE1 4.03Å; F393-Y435 AromaticContact CD2-CE2 3.91Å; F393-Y435 HydrophobicContact CD2-CE2 3.91Å; F393-Y435 AromaticContact CD2-CZ 3.55Å; F393-Y435 WeakPolarHBondContact CD2-OH 3.32Å; F393-Y435 HydrophobicContact CE2-CD2 4.38Å; F393-Y435 HydrophobicContact CE2-CE1 4.46Å; F393-Y435 HydrophobicContact CE2-CE2 4.04Å; F415-Y435 HydrophobicContact CE1-CD1 4.48Å; F415-Y435 HydrophobicContact CE2-CD1 4.05Å; F415-Y435 AromaticContact CE2-CE1 3.82Å; F415-Y435 HydrophobicContact CE2-CE1 3.82Å; F415-Y435 AromaticContact CZ-CD1 3.62Å; F415-Y435 HydrophobicContact CZ-CD1 3.62Å; F415-Y435 AromaticContact CZ-CE1 3.84Å; F415-Y435 HydrophobicContact CZ-CE1 3.84Å; C419-Y435 PolarHBondContact SG-O 3.06Å; C419-Y435 VanDerWaalsContact SG-O 3.39Å; V422-Y435 HydrophobicContact CB-CD1 4.28Å; V422-Y435 HydrophobicContact CB-CE1 4.33Å; V422-Y435 HydrophobicContact CB-CG 4.46Å; V422-Y435 HydrophobicContact CG1-CD1 4.27Å; V422-Y435 HydrophobicContact CG1-CD2 3.84Å; V422-Y435 HydrophobicContact CG1-CE1 4.27Å; V422-Y435 HydrophobicContact CG1-CE2 3.83Å; V422-Y435 HydrophobicContact CG1-CG 4.06Å; V422-Y435 HydrophobicContact CG2-CD1 4.49Å; V422-Y435 HydrophobicContact CG2-CE1 4.09Å; K431-Y435 HydrophobicContact CG-CD2 3.81Å; K431-Y435 HydrophobicContact CG-CE2 3.82Å; K431-Y435 VanDerWaalsContact O-CD2 3.32Å; K431-Y435 WeakPolarHBondContact O-CD2 3.03Å; K431-Y435 PolarHBondContact O-N 2.88Å; R432-Y435 PolarHBondContact O-N 3.08Å; L433-Y435 PolarHBondContact O-N 2.99Å; Y435-I437 VanDerWaalsContact C-N 3.34Å; Y435-I437 PolarHBondContact O-N 2.71Å; Y435-L438 PolarHBondContact O-N 3.27Å; Y435-G439 PolarHBondContact O-N 3.09Å
436	S	87.1	Confident	80.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.6	-43.3	176.3	172.7	0	0	0	0	111.9	R432 L433 Q440 C441 Q464	R432-S436 VanDerWaalsContact O-CB 3.28Å; R432-S436 WeakPolarHBondContact O-CB 3.41Å; R432-S436 PolarHBondContact O-N 3.1Å; L433-S436 WeakPolarHBondContact O-CB 3.32Å; L433-S436 PolarHBondContact O-N 3.48Å; S436-Q440 VanDerWaalsContact O-CA 3.26Å; S436-Q440 WeakPolarHBondContact O-CA 3.21Å; S436-Q440 PolarHBondContact O-N 3.39Å; S436-C441 WeakPolarHBondContact CB-O 3.49Å; S436-C441 PolarHBondContact O-N 3.22Å; S436-C441 PolarHBondContact OG-O 2.99Å; S436-Q464 PolarHBondContact OG-NE2 3Å
437	I	87.7	Confident	80.1	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-53.4	176.9	-68.1	160	0	0	0	110.9	F368 L371 L433 Y435 G439 Q440 W459	F368-I437 HydrophobicContact CD2-CD1 4.41Å; F368-I437 HydrophobicContact CE2-CD1 4.11Å; L371-I437 HydrophobicContact CD2-CG2 4.28Å; L433-I437 HydrophobicContact CD1-CD1 4.01Å; L433-I437 HydrophobicContact CD1-CG1 4.24Å; L433-I437 HydrophobicContact CG-CD1 3.92Å; L433-I437 WeakPolarHBondContact O-CD1 3.31Å; L433-I437 VanDerWaalsContact O-CG1 3.28Å; L433-I437 WeakPolarHBondContact O-CG1 3.48Å; L433-I437 PolarHBondContact O-N 3.3Å; Y435-I437 VanDerWaalsContact C-N 3.34Å; Y435-I437 PolarHBondContact O-N 2.71Å; I437-G439 VanDerWaalsContact C-N 3.34Å; I437-G439 PolarHBondContact O-N 3.32Å; I437-Q440 PolarHBondContact O-N 3.3Å; I437-W459 HydrophobicContact CD1-CH2 4.18Å; I437-W459 HydrophobicContact CD1-CZ3 3.64Å
438	L	85.2	Confident	79.8	Confident	5 Å²	5	27.4 Å²	27.4	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-66.5	-35.7	-176.3	-71.1	173.3	0	0	0	112.6	F393 L397 Y400 L407 F415 T434 Y435	F393-L438 HydrophobicContact CE2-CD1 3.48Å; F393-L438 VanDerWaalsContact CE2-CD1 3.48Å; F393-L438 HydrophobicContact CZ-CD1 3.54Å; L397-L438 HydrophobicContact CD1-CD1 4.44Å; L397-L438 HydrophobicContact CD1-CD2 4.32Å; Y400-L438 HydrophobicContact CD1-CD2 3.6Å; Y400-L438 HydrophobicContact CD2-CD2 3.48Å; Y400-L438 VanDerWaalsContact CD2-CD2 3.48Å; Y400-L438 HydrophobicContact CE1-CD2 3.81Å; Y400-L438 HydrophobicContact CE2-CD2 3.67Å; Y400-L438 HydrophobicContact CG-CD2 3.42Å; Y400-L438 VanDerWaalsContact CG-CD2 3.42Å; L407-L438 WeakPolarHBondContact CD1-O 3.3Å; F415-L438 HydrophobicContact CE1-CB 3.63Å; F415-L438 HydrophobicContact CZ-CB 4.09Å; T434-L438 HydrophobicContact CG2-CD1 4.21Å; T434-L438 WeakPolarHBondContact O-CG 3.43Å; T434-L438 PolarHBondContact O-N 3.21Å; T434-L438 VanDerWaalsContact O-N 3.1Å; Y435-L438 PolarHBondContact O-N 3.27Å
439	G	79.4	Confident	79.2	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-88.8	-14	-179	0	0	0	0	0	113.7	R416 Y435 I437 C441	R416-G439 WeakPolarHBondContact CG-O 3.22Å; R416-G439 PolarHBondContact NE-O 3.37Å; Y435-G439 PolarHBondContact O-N 3.09Å; I437-G439 VanDerWaalsContact C-N 3.34Å; I437-G439 PolarHBondContact O-N 3.32Å; G439-C441 VanDerWaalsContact C-N 3.34Å; G439-C441 WeakPolarHBondContact CA-SG 3.46Å
440	Q	78	Confident	79	Confident	13 Å²	13	31.6 Å²	31.6	6%	0.061	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	52.6	-173.6	-56.2	168	-33.5	0	0	110.4	S436 I437 I466	S436-Q440 VanDerWaalsContact O-CA 3.26Å; S436-Q440 WeakPolarHBondContact O-CA 3.21Å; S436-Q440 PolarHBondContact O-N 3.39Å; I437-Q440 PolarHBondContact O-N 3.3Å; Q440-I466 HydrophobicContact CB-CD1 4.02Å; Q440-I466 HydrophobicContact CB-CG1 4.17Å; Q440-I466 HydrophobicContact CG-CG1 4.48Å
441	C	73	Confident	78.7	Confident	4 Å²	4	33.1 Å²	33.1	3%	0.027	18%	0.18	C	C	.	.			trans	-131.8	155.6	-169.3	29.3	0	0	0	0	110.5	C419 S436 G439	C419-C441 HydrophobicContact CB-CB 4.29Å; C419-C441 WeakPolarHBondContact CB-SG 3.48Å; C419-C441 WeakPolarHBondContact SG-CB 3.28Å; C419-C441 CovalentContact SG-SG 2.04Å; C419-C441 PolarHBondContact SG-SG 3.47Å; S436-C441 WeakPolarHBondContact CB-O 3.49Å; S436-C441 PolarHBondContact O-N 3.22Å; S436-C441 PolarHBondContact OG-O 2.99Å; G439-C441 VanDerWaalsContact C-N 3.34Å; G439-C441 WeakPolarHBondContact CA-SG 3.46Å
442	D	68.8	Low	78.3	Confident	54 Å²	54	35.9 Å²	35.9	29%	0.289	20%	0.202	S	C	.	.			trans	58.8	65.9	176.5	-160.5	6.4	0	0	0	114.4	I423 T444	I423-D442 HydrophobicContact CD1-CB 3.97Å; I423-D442 VanDerWaalsContact CG2-OD2 3.31Å; I423-D442 WeakPolarHBondContact CG2-OD2 3.47Å; D442-T444 VanDerWaalsContact C-N 3.28Å; D442-T444 PolarHBondContact O-N 2.9Å; D442-T444 PolarHBondContact OD1-OG1 2.94Å
443	L	65.1	Low	78.3	Confident	38 Å²	38	36.5 Å²	36.5	20%	0.199	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-16.8	-171.5	-56	164.8	0	0	0	113.5	K461 Q464 F485	L443-K461 PolarHBondContact O-NZ 3.05Å; L443-Q464 HydrophobicContact CD2-CB 4.12Å; L443-F485 HydrophobicContact CD1-CB 3.5Å; L443-F485 VanDerWaalsContact CD1-CB 3.5Å; L443-F485 HydrophobicContact CD1-CD2 4.27Å; L443-F485 HydrophobicContact CD1-CG 4.18Å; L443-F485 HydrophobicContact CD2-CB 3.56Å; L443-F485 HydrophobicContact CD2-CD1 4.47Å; L443-F485 HydrophobicContact CD2-CG 4.05Å; L443-F485 HydrophobicContact CG-CB 4.1Å
444	T	66.9	Low	78.3	Confident	121 Å²	121	39.6 Å²	39.6	74%	0.742	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-21.2	-173.6	47.4	0	0	0	0	113.6	D442 N446	D442-T444 VanDerWaalsContact C-N 3.28Å; D442-T444 PolarHBondContact O-N 2.9Å; D442-T444 PolarHBondContact OD1-OG1 2.94Å; T444-N446 PolarHBondContact O-N 3.24Å
445	E	69	Low	78.4	Confident	45 Å²	45	41.6 Å²	41.6	21%	0.21	24%	0.236	C	C	.	.			trans	-78	124.6	179.3	-168.3	167.9	-150.8	0	0	110.8	R432 H447	R432-E445 IonicContact CZ-OE1 2.69Å; R432-E445 IonicContact CZ-OE2 2.74Å; R432-E445 IonicContact NE-OE2 3.07Å; R432-E445 IonicContact NH1-OE1 3Å; R432-E445 PolarHBondContact NH1-OE1 3.08Å; R432-E445 IonicContact NH1-OE2 3.3Å; R432-E445 IonicContact NH2-OE1 2.86Å; R432-E445 PolarHBondContact NH2-OE1 3.49Å; R432-E445 IonicContact NH2-OE2 3.15Å; R432-E445 PolarHBondContact NH2-OE2 3.31Å; E445-H447 VanDerWaalsContact C-N 3.28Å; E445-H447 PolarHBondContact O-CD2 3.17Å; E445-H447 PolarHBondContact O-N 2.78Å; E445-H447 IonicContact OE2-CE1 2.69Å; E445-H447 PolarHBondContact OE2-CE1 3.23Å; E445-H447 IonicContact OE2-ND1 3.01Å; E445-H447 IonicContact OE2-NE2 3.02Å
446	N	64.8	Low	78.5	Confident	88 Å²	88	41.2 Å²	41.2	47%	0.471	24%	0.235	S	C	.	.			trans	-81.9	-4.6	-179.8	-71.7	-26.5	0	0	0	113.3	T444 S448 I451	T444-N446 PolarHBondContact O-N 3.24Å; N446-S448 PolarHBondContact O-N 3.5Å; N446-I451 WeakPolarHBondContact O-CD1 3.4Å
447	H	73.7	Confident	78.8	Confident	9 Å²	9	42.6 Å²	42.6	4%	0.042	24%	0.242	C	C	.	.			trans	40.4	41.3	-178.2	-59.2	-69.7	0	0	0	113.8	L433 E445 D449 I450 I451	L433-H447 HydrophobicContact CD1-CB 4.39Å; L433-H447 VanDerWaalsContact CD1-CD2 3.48Å; L433-H447 WeakPolarHBondContact CD1-CD2 3.27Å; E445-H447 VanDerWaalsContact C-N 3.28Å; E445-H447 PolarHBondContact O-CD2 3.17Å; E445-H447 PolarHBondContact O-N 2.78Å; E445-H447 IonicContact OE2-CE1 2.69Å; E445-H447 PolarHBondContact OE2-CE1 3.23Å; E445-H447 IonicContact OE2-ND1 3.01Å; E445-H447 IonicContact OE2-NE2 3.02Å; H447-D449 PolarHBondContact O-N 3.1Å; H447-I450 PolarHBondContact O-N 2.85Å; H447-I451 HydrophobicContact CB-CD1 4.33Å; H447-I451 HydrophobicContact CB-CG1 4.39Å; H447-I451 WeakPolarHBondContact O-CG1 3.43Å; H447-I451 PolarHBondContact O-N 3.29Å
448	S	76.2	Confident	79	Confident	91 Å²	91	42.6 Å²	42.6	64%	0.636	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.7	-172.1	-55.3	0	0	0	0	113.7	N446 I450	N446-S448 PolarHBondContact O-N 3.5Å; S448-I450 VanDerWaalsContact C-N 3.34Å
449	D	73.9	Confident	79.4	Confident	88 Å²	88	42.5 Å²	42.5	47%	0.471	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.3	174.6	-65	-23.2	0	0	0	113.6	W351 H447	W351-D449 HydrophobicContact CZ2-CB 3.85Å; H447-D449 PolarHBondContact O-N 3.1Å
450	I	80.6	Confident	80	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-45.8	-174.9	-60.7	173.1	0	0	0	110.8	R327 F368 P429 Y430 L433 H447 S448 S452	R327-I450 PolarHBondContact NH2-O 3.42Å; F368-I450 HydrophobicContact CD1-CG2 4.42Å; F368-I450 HydrophobicContact CE1-CG2 3.64Å; F368-I450 HydrophobicContact CZ-CG2 3.89Å; P429-I450 HydrophobicContact CB-CD1 3.95Å; P429-I450 HydrophobicContact CB-CG1 4.32Å; P429-I450 WeakPolarHBondContact O-CD1 3.27Å; Y430-I450 HydrophobicContact CD1-CD1 3.76Å; Y430-I450 HydrophobicContact CD1-CG1 4.26Å; Y430-I450 HydrophobicContact CD1-CG2 4.48Å; Y430-I450 HydrophobicContact CD2-CD1 4.4Å; Y430-I450 HydrophobicContact CE1-CD1 4.04Å; Y430-I450 HydrophobicContact CE1-CG1 4.02Å; Y430-I450 HydrophobicContact CE1-CG2 4.01Å; Y430-I450 HydrophobicContact CG-CD1 3.97Å; L433-I450 HydrophobicContact CB-CD1 4.08Å; L433-I450 HydrophobicContact CD2-CB 4.23Å; L433-I450 HydrophobicContact CD2-CD1 3.66Å; L433-I450 HydrophobicContact CD2-CG2 3.96Å; H447-I450 PolarHBondContact O-N 2.85Å; S448-I450 VanDerWaalsContact C-N 3.34Å; I450-S452 PolarHBondContact O-N 2.89Å
451	I	81.6	Confident	80.6	Confident	34 Å²	34	42.5 Å²	42.5	17%	0.174	24%	0.24	C	C	.	.			trans	-64.5	120.4	-174.1	-60.2	-175	0	0	0	109.5	N446 H447 N453 D456 F457 I460	N446-I451 WeakPolarHBondContact O-CD1 3.4Å; H447-I451 HydrophobicContact CB-CD1 4.33Å; H447-I451 HydrophobicContact CB-CG1 4.39Å; H447-I451 WeakPolarHBondContact O-CG1 3.43Å; H447-I451 PolarHBondContact O-N 3.29Å; I451-N453 WeakPolarHBondContact CG2-O 3.41Å; I451-D456 HydrophobicContact CG2-CB 3.99Å; I451-F457 HydrophobicContact CD1-CD2 4.34Å; I451-F457 HydrophobicContact CG2-CB 4.12Å; I451-I460 HydrophobicContact CD1-CD1 3.58Å; I451-I460 HydrophobicContact CG1-CD1 3.58Å
452	S	80.9	Confident	81.5	Confident	80 Å²	80	42.7 Å²	42.7	56%	0.559	24%	0.241	S	C	*	.			trans	-103.3	-30.3	-177.5	68.1	0	0	0	0	113.5	I450 D456	I450-S452 PolarHBondContact O-N 2.89Å; S452-D456 PolarHBondContact N-OD2 3.17Å; S452-D456 PolarHBondContact OG-OD2 3.2Å
453	N	87.6	Confident	82.6	Confident	68 Å²	68	40.6 Å²	40.6	36%	0.364	23%	0.231	S	C	.	.	S	Bend	trans	-142.7	176.1	-175.5	65.2	10.9	0	0	0	111.6	I451 D455 D456 F457	I451-N453 WeakPolarHBondContact CG2-O 3.41Å; N453-D455 VanDerWaalsContact C-N 3.31Å; N453-D455 PolarHBondContact OD1-N 2.69Å; N453-D456 PolarHBondContact O-N 3.1Å; N453-D456 VanDerWaalsContact OD1-CB 3.25Å; N453-D456 WeakPolarHBondContact OD1-CB 3.48Å; N453-D456 PolarHBondContact OD1-N 3.44Å; N453-D456 PolarHBondContact OD1-OD1 2.87Å; N453-D456 PolarHBondContact OD1-OD2 3.25Å; N453-D456 VanDerWaalsContact OD1-OD2 3.11Å; N453-F457 PolarHBondContact O-N 3.45Å
454	I	88.9	Confident	83.6	Confident	66 Å²	66	38.8 Å²	38.8	34%	0.338	22%	0.221	S	C	.	.	H	α-helix	trans	-66.5	-34.3	177.8	-70.1	163.8	0	0	0	111.4	D456 F457 L458 F503 I515	I454-D456 VanDerWaalsContact C-N 3.31Å; I454-D456 PolarHBondContact O-N 2.86Å; I454-F457 WeakPolarHBondContact O-CB 3.39Å; I454-F457 PolarHBondContact O-N 3.43Å; I454-L458 HydrophobicContact CG2-CD1 4.09Å; I454-L458 HydrophobicContact CG2-CG 4.13Å; I454-L458 WeakPolarHBondContact O-CG 3.47Å; I454-L458 PolarHBondContact O-N 2.91Å; I454-F503 HydrophobicContact CD1-CD1 3.8Å; I454-F503 HydrophobicContact CD1-CE1 3.99Å; I454-F503 HydrophobicContact CG1-CE1 4.41Å; I454-F503 HydrophobicContact CG2-CE1 4.47Å; I454-I515 HydrophobicContact CG2-CD1 3.85Å; I454-I515 HydrophobicContact CG2-CG1 4.06Å
455	D	90.9	Very high	84.6	Confident	42 Å²	42	33.3 Å²	33.3	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-37.9	179.4	-63	-34	0	0	0	112.1	L289 N453 L458 W459 K514	L289-D455 HydrophobicContact CD2-CB 3.95Å; N453-D455 VanDerWaalsContact C-N 3.31Å; N453-D455 PolarHBondContact OD1-N 2.69Å; D455-L458 PolarHBondContact O-N 3.28Å; D455-W459 WeakPolarHBondContact O-CB 3.4Å; D455-W459 PolarHBondContact O-N 3.14Å; D455-K514 IonicContact OD1-NZ 3.83Å
456	D	90.4	Very high	85	Confident	14 Å²	14	32.3 Å²	32.3	8%	0.075	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-45	173.8	-69.9	-25.1	0	0	0	110.9	R372 I451 S452 N453 I454 L458 W459 I460	R372-D456 IonicContact CZ-OD1 3.63Å; R372-D456 IonicContact NE-OD1 3.16Å; R372-D456 PolarHBondContact NE-OD1 3.33Å; R372-D456 VanDerWaalsContact NE-OD1 3.14Å; R372-D456 IonicContact NH2-OD1 3.35Å; R372-D456 PolarHBondContact NH2-OD1 2.83Å; I451-D456 HydrophobicContact CG2-CB 3.99Å; S452-D456 PolarHBondContact N-OD2 3.17Å; S452-D456 PolarHBondContact OG-OD2 3.2Å; N453-D456 PolarHBondContact O-N 3.1Å; N453-D456 VanDerWaalsContact OD1-CB 3.25Å; N453-D456 WeakPolarHBondContact OD1-CB 3.48Å; N453-D456 PolarHBondContact OD1-N 3.44Å; N453-D456 PolarHBondContact OD1-OD1 2.87Å; N453-D456 PolarHBondContact OD1-OD2 3.25Å; N453-D456 VanDerWaalsContact OD1-OD2 3.11Å; I454-D456 VanDerWaalsContact C-N 3.31Å; I454-D456 PolarHBondContact O-N 2.86Å; D456-L458 VanDerWaalsContact C-N 3.35Å; D456-L458 PolarHBondContact O-N 3.49Å; D456-W459 PolarHBondContact O-N 3.38Å; D456-I460 WeakPolarHBondContact O-CD1 3.35Å; D456-I460 VanDerWaalsContact O-CG1 3.25Å; D456-I460 WeakPolarHBondContact O-CG1 3.37Å; D456-I460 PolarHBondContact O-N 3.27Å
457	F	92	Very high	85.2	Confident	29 Å²	29	28.7 Å²	28.7	13%	0.127	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-46.9	175	175.7	-94.9	0	0	0	111.3	I451 N453 I454 I460 K461 L493 L494 Y498	I451-F457 HydrophobicContact CD1-CD2 4.34Å; I451-F457 HydrophobicContact CG2-CB 4.12Å; N453-F457 PolarHBondContact O-N 3.45Å; I454-F457 WeakPolarHBondContact O-CB 3.39Å; I454-F457 PolarHBondContact O-N 3.43Å; F457-I460 PolarHBondContact O-N 3.35Å; F457-K461 HydrophobicContact CD1-CG 4.29Å; F457-K461 HydrophobicContact CD2-CG 4.26Å; F457-K461 HydrophobicContact CE1-CG 3.92Å; F457-K461 HydrophobicContact CE2-CD 4.36Å; F457-K461 HydrophobicContact CE2-CG 3.9Å; F457-K461 HydrophobicContact CG-CG 4.45Å; F457-K461 HydrophobicContact CZ-CD 4.35Å; F457-K461 HydrophobicContact CZ-CG 3.72Å; F457-K461 WeakPolarHBondContact O-CB 3.33Å; F457-K461 VanDerWaalsContact O-CG 3.32Å; F457-K461 WeakPolarHBondContact O-CG 3.5Å; F457-K461 PolarHBondContact O-N 2.94Å; F457-L493 HydrophobicContact CZ-CD2 4.37Å; F457-L494 HydrophobicContact CE1-CD2 4.13Å; F457-Y498 HydrophobicContact CE1-CE2 4.13Å; F457-Y498 AromaticContact CZ-CE2 3.99Å; F457-Y498 HydrophobicContact CZ-CE2 3.99Å
458	L	93.1	Very high	84.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-44.9	177.7	-72.1	-179.8	0	0	0	112.1	L289 I454 D455 D456 I460 K461 I462 L494 I515 L518 T519	L289-L458 HydrophobicContact CD1-CB 4.04Å; I454-L458 HydrophobicContact CG2-CD1 4.09Å; I454-L458 HydrophobicContact CG2-CG 4.13Å; I454-L458 WeakPolarHBondContact O-CG 3.47Å; I454-L458 PolarHBondContact O-N 2.91Å; D455-L458 PolarHBondContact O-N 3.28Å; D456-L458 VanDerWaalsContact C-N 3.35Å; D456-L458 PolarHBondContact O-N 3.49Å; L458-I460 VanDerWaalsContact C-N 3.3Å; L458-I460 PolarHBondContact O-N 3.01Å; L458-K461 PolarHBondContact O-N 3.02Å; L458-I462 HydrophobicContact CB-CD1 4.35Å; L458-I462 VanDerWaalsContact O-CB 3.27Å; L458-I462 WeakPolarHBondContact O-CB 3.26Å; L458-I462 WeakPolarHBondContact O-CD1 3.18Å; L458-I462 WeakPolarHBondContact O-CG1 3.38Å; L458-I462 PolarHBondContact O-N 3.06Å; L458-L494 HydrophobicContact CD2-CD1 3.78Å; L458-L494 HydrophobicContact CD2-CD2 4.26Å; L458-I515 HydrophobicContact CD1-CB 4.33Å; L458-I515 HydrophobicContact CD1-CG1 3.99Å; L458-I515 HydrophobicContact CD1-CG2 4.31Å; L458-I515 HydrophobicContact CD2-CG2 4.26Å; L458-L518 HydrophobicContact CD1-CD1 4.07Å; L458-T519 HydrophobicContact CD2-CG2 4.14Å
459	W	93.8	Very high	83.7	Confident	3 Å²	3	32.3 Å²	32.3	1%	0.011	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-42.6	179.5	-176.9	90.3	0	0	0	111.2	L286 L289 E290 F368 L371 R372 I437 D455 D456 S463	L286-W459 HydrophobicContact CD2-CG 4.05Å; L286-W459 WeakPolarHBondContact CD2-O 3.16Å; L289-W459 HydrophobicContact CB-CB 4.43Å; L289-W459 HydrophobicContact CD1-CB 3.94Å; E290-W459 PolarHBondContact OE1-NE1 3.15Å; F368-W459 HydrophobicContact CE2-CZ3 4.25Å; L371-W459 HydrophobicContact CD2-CH2 4.25Å; L371-W459 HydrophobicContact CG-CH2 3.98Å; L371-W459 HydrophobicContact CG-CZ2 4.38Å; L371-W459 WeakPolarHBondContact O-CZ2 3.32Å; R372-W459 HydrophobicContact CB-CH2 4.37Å; R372-W459 VanDerWaalsContact CD-CE3 3.44Å; I437-W459 HydrophobicContact CD1-CH2 4.18Å; I437-W459 HydrophobicContact CD1-CZ3 3.64Å; D455-W459 WeakPolarHBondContact O-CB 3.4Å; D455-W459 PolarHBondContact O-N 3.14Å; D456-W459 PolarHBondContact O-N 3.38Å; W459-S463 VanDerWaalsContact O-CB 3.31Å; W459-S463 WeakPolarHBondContact O-CB 3.21Å; W459-S463 PolarHBondContact O-N 3.41Å; W459-S463 PolarHBondContact O-OG 3.04Å
460	I	90.8	Very high	82.6	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-52.9	176.4	-67	164.3	0	0	0	110.4	L433 I451 D456 F457 L458 I462 S463 Q464	L433-I460 HydrophobicContact CD1-CD1 3.87Å; L433-I460 HydrophobicContact CD1-CG1 4.15Å; L433-I460 HydrophobicContact CD1-CG2 3.91Å; L433-I460 HydrophobicContact CD2-CD1 3.97Å; I451-I460 HydrophobicContact CD1-CD1 3.58Å; I451-I460 HydrophobicContact CG1-CD1 3.58Å; D456-I460 WeakPolarHBondContact O-CD1 3.35Å; D456-I460 VanDerWaalsContact O-CG1 3.25Å; D456-I460 WeakPolarHBondContact O-CG1 3.37Å; D456-I460 PolarHBondContact O-N 3.27Å; F457-I460 PolarHBondContact O-N 3.35Å; L458-I460 VanDerWaalsContact C-N 3.3Å; L458-I460 PolarHBondContact O-N 3.01Å; I460-I462 PolarHBondContact O-N 3.43Å; I460-S463 WeakPolarHBondContact O-CB 3.27Å; I460-S463 PolarHBondContact O-N 3.36Å; I460-Q464 WeakPolarHBondContact O-CG 3.47Å; I460-Q464 PolarHBondContact O-N 3.38Å
461	K	91.5	Very high	81.1	Confident	12 Å²	12	37.5 Å²	37.5	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-40.9	-175.8	-68.4	-61	176	-166.7	0	112	L443 F457 L458 S463 Q464 V465 F485 L490	L443-K461 PolarHBondContact O-NZ 3.05Å; F457-K461 HydrophobicContact CD1-CG 4.29Å; F457-K461 HydrophobicContact CD2-CG 4.26Å; F457-K461 HydrophobicContact CE1-CG 3.92Å; F457-K461 HydrophobicContact CE2-CD 4.36Å; F457-K461 HydrophobicContact CE2-CG 3.9Å; F457-K461 HydrophobicContact CG-CG 4.45Å; F457-K461 HydrophobicContact CZ-CD 4.35Å; F457-K461 HydrophobicContact CZ-CG 3.72Å; F457-K461 WeakPolarHBondContact O-CB 3.33Å; F457-K461 VanDerWaalsContact O-CG 3.32Å; F457-K461 WeakPolarHBondContact O-CG 3.5Å; F457-K461 PolarHBondContact O-N 2.94Å; L458-K461 PolarHBondContact O-N 3.02Å; K461-S463 VanDerWaalsContact C-N 3.33Å; K461-S463 PolarHBondContact O-N 2.89Å; K461-Q464 PolarHBondContact O-N 3.22Å; K461-Q464 VanDerWaalsContact O-N 3.16Å; K461-V465 WeakPolarHBondContact O-CG2 3.25Å; K461-V465 PolarHBondContact O-N 3.13Å; K461-V465 VanDerWaalsContact O-N 3.15Å; K461-F485 HydrophobicContact CB-CE1 4.18Å; K461-F485 HydrophobicContact CD-CE1 4.16Å; K461-F485 HydrophobicContact CD-CZ 4.47Å; K461-L490 HydrophobicContact CB-CD1 3.94Å; K461-L490 HydrophobicContact CB-CD2 4.44Å
462	I	92.1	Very high	79.2	Confident	8 Å²	8	41 Å²	41	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-38.2	174.9	-65.6	167.7	0	0	0	110.8	L286 L289 L458 I460 Q464 V465 L490 L518	L286-I462 HydrophobicContact CD1-CG2 4.32Å; L286-I462 HydrophobicContact CD2-CB 3.99Å; L286-I462 HydrophobicContact CD2-CG2 3.79Å; L286-I462 HydrophobicContact CG-CG2 3.78Å; L289-I462 HydrophobicContact CD1-CD1 4.31Å; L458-I462 HydrophobicContact CB-CD1 4.35Å; L458-I462 VanDerWaalsContact O-CB 3.27Å; L458-I462 WeakPolarHBondContact O-CB 3.26Å; L458-I462 WeakPolarHBondContact O-CD1 3.18Å; L458-I462 WeakPolarHBondContact O-CG1 3.38Å; L458-I462 PolarHBondContact O-N 3.06Å; I460-I462 PolarHBondContact O-N 3.43Å; I462-Q464 VanDerWaalsContact C-N 3.25Å; I462-Q464 PolarHBondContact O-N 3.37Å; I462-V465 PolarHBondContact O-N 2.93Å; I462-L490 HydrophobicContact CG1-CD2 4.05Å; I462-L518 HydrophobicContact CD1-CB 4.33Å
463	S	90.1	Very high	77.1	Confident	10 Å²	10	40.4 Å²	40.4	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-29.5	175.2	-60.5	0	0	0	0	112.8	L286 W459 I460 K461	L286-S463 VanDerWaalsContact CD2-OG 3.3Å; L286-S463 WeakPolarHBondContact CD2-OG 3.42Å; W459-S463 VanDerWaalsContact O-CB 3.31Å; W459-S463 WeakPolarHBondContact O-CB 3.21Å; W459-S463 PolarHBondContact O-N 3.41Å; W459-S463 PolarHBondContact O-OG 3.04Å; I460-S463 WeakPolarHBondContact O-CB 3.27Å; I460-S463 PolarHBondContact O-N 3.36Å; K461-S463 VanDerWaalsContact C-N 3.33Å; K461-S463 PolarHBondContact O-N 2.89Å
464	Q	87.8	Confident	75	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-81.7	-15.6	176.8	-70.7	173.2	-16.4	0	0	113.7	S436 L443 I460 K461 I462 I466	S436-Q464 PolarHBondContact OG-NE2 3Å; L443-Q464 HydrophobicContact CD2-CB 4.12Å; I460-Q464 WeakPolarHBondContact O-CG 3.47Å; I460-Q464 PolarHBondContact O-N 3.38Å; K461-Q464 PolarHBondContact O-N 3.22Å; K461-Q464 VanDerWaalsContact O-N 3.16Å; I462-Q464 VanDerWaalsContact C-N 3.25Å; I462-Q464 PolarHBondContact O-N 3.37Å; Q464-I466 PolarHBondContact O-N 3.39Å
465	V	87.3	Confident	72.7	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.036	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-63.7	127.1	-178.8	167.5	0	0	0	0	111.1	K461 I462 F485 L487 L490	K461-V465 WeakPolarHBondContact O-CG2 3.25Å; K461-V465 PolarHBondContact O-N 3.13Å; K461-V465 VanDerWaalsContact O-N 3.15Å; I462-V465 PolarHBondContact O-N 2.93Å; V465-F485 WeakPolarHBondContact CA-O 3.44Å; V465-F485 HydrophobicContact CG2-CD1 3.96Å; V465-F485 HydrophobicContact CG2-CE1 4.15Å; V465-L487 HydrophobicContact CG1-CB 3.84Å; V465-L487 HydrophobicContact CG1-CD1 4.44Å; V465-L490 HydrophobicContact CG2-CB 4.29Å; V465-L490 HydrophobicContact CG2-CD2 3.69Å
466	I	78.1	Confident	70.2	Confident	24 Å²	24	46.4 Å²	46.4	12%	0.123	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-103	120.6	171.6	-60.9	148.7	0	0	0	107.3	Q440 Q464 T484 F485	Q440-I466 HydrophobicContact CB-CD1 4.02Å; Q440-I466 HydrophobicContact CB-CG1 4.17Å; Q440-I466 HydrophobicContact CG-CG1 4.48Å; Q464-I466 PolarHBondContact O-N 3.39Å; I466-T484 HydrophobicContact CB-CG2 4Å; I466-T484 HydrophobicContact CD1-CG2 3.76Å; I466-T484 HydrophobicContact CG2-CG2 4.18Å; I466-F485 PolarHBondContact N-O 3.45Å
467	A	69	Low	68	Low	12 Å²	12	46.4 Å²	46.4	10%	0.099	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-77.4	133.8	172.2	0	0	0	0	0	108.4	I275 N279	I275-A467 HydrophobicContact CD1-CB 3.21Å; I275-A467 WeakPolarHBondContact CD1-O 3.16Å; I275-A467 HydrophobicContact CG1-CB 3.97Å; N279-A467 WeakPolarHBondContact OD1-CB 3.11Å
468	Q	61.9	Low	65.5	Low	63 Å²	63	53.3 Å²	53.3	29%	0.294	30%	0.299	S	S	.	.			trans	-119	145.4	-177.3	-170.6	175.3	20.6	0	0	109.3	E472	Q468-E472 PolarHBondContact NE2-OE2 3.19Å
469	E	55.4	Low	63.3	Low	112 Å²	112	61 Å²	61	52%	0.523	34%	0.338	S	S	.	.			trans	-73.7	142.5	170.9	-76	-169.8	-177.3	0	0	111.3	S471 E472	E469-S471 PolarHBondContact O-N 3.15Å; E469-S471 PolarHBondContact OE2-OG 3.22Å; E469-E472 PolarHBondContact O-N 3.41Å
470	P	50.6	Low	61.1	Low	117 Å²	117	63 Å²	63	76%	0.76	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.6	175.3	26.3	-33.1	0	0	0	113.4	E472	P470-E472 VanDerWaalsContact C-N 3.29Å; P470-E472 PolarHBondContact O-N 2.95Å
471	S	49.3	Very low	58.9	Low	85 Å²	85	67.3 Å²	67.3	59%	0.594	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-15.4	-179.5	63.5	0	0	0	0	113.6	E469 S473	E469-S471 PolarHBondContact O-N 3.15Å; E469-S471 PolarHBondContact OE2-OG 3.22Å; S471-S473 PolarHBondContact O-N 2.67Å
472	E	41.6	Very low	57	Low	107 Å²	107	74.4 Å²	74.4	50%	0.5	41%	0.413	S	S	.	.	S	Bend	trans	-73.7	93.7	176.2	-71	-160	164	0	0	110.3	Q468 E469 P470	Q468-E472 PolarHBondContact NE2-OE2 3.19Å; E469-E472 PolarHBondContact O-N 3.41Å; P470-E472 VanDerWaalsContact C-N 3.29Å; P470-E472 PolarHBondContact O-N 2.95Å
473	S	37.1	Very low	55.5	Low	68 Å²	68	77.9 Å²	77.9	48%	0.476	43%	0.432	S	S	.	.			trans	-34.6	137	170.8	178.1	0	0	0	0	113.4	S471 V475 T476	S471-S473 PolarHBondContact O-N 2.67Å; S473-V475 PolarHBondContact O-N 3.41Å; S473-V475 PolarHBondContact OG-N 2.83Å; S473-T476 PolarHBondContact O-N 2.76Å; S473-T476 PolarHBondContact O-OG1 3.44Å
474	V	42.7	Very low	54.7	Low	109 Å²	109	78.7 Å²	78.7	66%	0.661	44%	0.436	S	S	*	.	H	α-helix	trans	-50.4	-19.5	173	-178	0	0	0	0	113.3	S477	V474-S477 PolarHBondContact O-OG 3.15Å
475	V	40.9	Very low	54.5	Low	113 Å²	113	79.6 Å²	79.6	69%	0.685	44%	0.44	S	S	*	.	H	α-helix	trans	-74.6	-37.2	178.5	-172.6	0	0	0	0	112.4	S473 S477	S473-V475 PolarHBondContact O-N 3.41Å; S473-V475 PolarHBondContact OG-N 2.83Å; V475-S477 VanDerWaalsContact C-N 3.33Å
476	T	38.3	Very low	54.5	Low	80 Å²	80	80.3 Å²	80.3	49%	0.491	45%	0.445	S	S	.	.	H	α-helix	trans	-76.6	-23.9	175.8	51.5	0	0	0	0	111.9	S473 S480	S473-T476 PolarHBondContact O-N 2.76Å; S473-T476 PolarHBondContact O-OG1 3.44Å; T476-S480 PolarHBondContact O-OG 3.28Å
477	S	44.2	Very low	55.1	Low	14 Å²	14	79.6 Å²	79.6	10%	0.098	44%	0.441	C	S	.	.	H	α-helix	trans	-69.5	-33.4	-178.9	79.6	0	0	0	0	113.5	V474 V475 I479 S480 M481	V474-S477 PolarHBondContact O-OG 3.15Å; V475-S477 VanDerWaalsContact C-N 3.33Å; S477-I479 PolarHBondContact O-N 2.86Å; S477-S480 PolarHBondContact O-N 2.78Å; S477-S480 PolarHBondContact O-OG 3.16Å; S477-M481 WeakPolarHBondContact O-CB 3.42Å; S477-M481 WeakPolarHBondContact O-CG 3.3Å; S477-M481 PolarHBondContact O-N 2.73Å
478	K	40.8	Very low	56	Low	173 Å²	173	79.3 Å²	79.3	75%	0.752	44%	0.44	S	S	*	.	H	α-helix	trans	-58.8	-26.2	-178.6	-76.4	-172.3	178.3	-179.4	0	114.2
479	I	45.5	Very low	57.3	Low	161 Å²	161	79.5 Å²	79.5	83%	0.826	44%	0.44	S	S	*	.	H	α-helix	trans	-87	-25.9	179.6	-57.3	174.8	0	0	0	111.4	S477	S477-I479 PolarHBondContact O-N 2.86Å
480	S	48.1	Very low	59	Low	47 Å²	47	74.1 Å²	74.1	33%	0.329	42%	0.415	S	S	.	.	H	α-helix	trans	-108.1	-5.7	-175.4	58.5	0	0	0	0	115	T476 S477 D482 D483 T484	T476-S480 PolarHBondContact O-OG 3.28Å; S477-S480 PolarHBondContact O-N 2.78Å; S477-S480 PolarHBondContact O-OG 3.16Å; S480-D482 VanDerWaalsContact C-N 3.35Å; S480-D482 PolarHBondContact O-N 2.88Å; S480-D483 PolarHBondContact O-N 2.98Å; S480-T484 PolarHBondContact O-N 3.09Å; S480-T484 PolarHBondContact O-OG1 3.35Å
481	M	45.7	Very low	61.1	Low	93 Å²	93	68.6 Å²	68.6	46%	0.458	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-56.6	-42.3	-175.7	-87.8	-106.9	132.6	0	0	113.2	S477 D483	S477-M481 WeakPolarHBondContact O-CB 3.42Å; S477-M481 WeakPolarHBondContact O-CG 3.3Å; S477-M481 PolarHBondContact O-N 2.73Å; M481-D483 PolarHBondContact O-N 3.33Å; M481-D483 VanDerWaalsContact O-N 3.12Å
482	D	51.4	Low	63	Low	160 Å²	160	66.6 Å²	66.6	86%	0.856	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-68.4	-15	-174.4	-71.7	-10.5	0	0	0	113.2	S480	S480-D482 VanDerWaalsContact C-N 3.35Å; S480-D482 PolarHBondContact O-N 2.88Å
483	D	59.3	Low	65.4	Low	82 Å²	82	63.4 Å²	63.4	44%	0.439	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-114.1	-9.3	-172.4	-86.8	-18.4	0	0	0	114.9	K420 S480 M481	K420-D483 IonicContact NZ-OD1 3.87Å; K420-D483 PolarHBondContact NZ-OD1 3.45Å; K420-D483 IonicContact NZ-OD2 2.9Å; K420-D483 PolarHBondContact NZ-OD2 3.47Å; S480-D483 PolarHBondContact O-N 2.98Å; M481-D483 PolarHBondContact O-N 3.33Å; M481-D483 VanDerWaalsContact O-N 3.12Å
484	T	74.1	Confident	68	Low	26 Å²	26	60.2 Å²	60.2	16%	0.16	33%	0.327	C	S	.	.			trans	-112.9	122.8	-172.2	-54.8	0	0	0	0	111.2	I466 S480 T486 Q489	I466-T484 HydrophobicContact CB-CG2 4Å; I466-T484 HydrophobicContact CD1-CG2 3.76Å; I466-T484 HydrophobicContact CG2-CG2 4.18Å; S480-T484 PolarHBondContact O-N 3.09Å; S480-T484 PolarHBondContact O-OG1 3.35Å; T484-T486 HydrophobicContact CG2-CG2 4.22Å; T484-Q489 PolarHBondContact O-OE1 2.64Å
485	F	84.1	Confident	70.2	Confident	20 Å²	20	57.2 Å²	57.2	9%	0.088	30%	0.304	C	S	.	.			trans	-94	106.8	173	-160.5	-131.8	0	0	0	110.7	L443 K461 V465 I466 Q489 L490 L493	L443-F485 HydrophobicContact CD1-CB 3.5Å; L443-F485 VanDerWaalsContact CD1-CB 3.5Å; L443-F485 HydrophobicContact CD1-CD2 4.27Å; L443-F485 HydrophobicContact CD1-CG 4.18Å; L443-F485 HydrophobicContact CD2-CB 3.56Å; L443-F485 HydrophobicContact CD2-CD1 4.47Å; L443-F485 HydrophobicContact CD2-CG 4.05Å; L443-F485 HydrophobicContact CG-CB 4.1Å; K461-F485 HydrophobicContact CB-CE1 4.18Å; K461-F485 HydrophobicContact CD-CE1 4.16Å; K461-F485 HydrophobicContact CD-CZ 4.47Å; V465-F485 WeakPolarHBondContact CA-O 3.44Å; V465-F485 HydrophobicContact CG2-CD1 3.96Å; V465-F485 HydrophobicContact CG2-CE1 4.15Å; I466-F485 PolarHBondContact N-O 3.45Å; F485-Q489 VanDerWaalsContact CA-OE1 3.31Å; F485-Q489 HydrophobicContact CD2-CB 4.17Å; F485-Q489 HydrophobicContact CE2-CB 4.04Å; F485-L490 HydrophobicContact CE1-CB 3.71Å; F485-L490 HydrophobicContact CE1-CD1 3.94Å; F485-L490 HydrophobicContact CE1-CD2 4.36Å; F485-L490 HydrophobicContact CE1-CG 4.2Å; F485-L490 HydrophobicContact CZ-CB 3.62Å; F485-L490 HydrophobicContact CZ-CD1 3.83Å; F485-L490 HydrophobicContact CZ-CG 4.27Å; F485-L493 HydrophobicContact CZ-CD2 4.46Å
486	T	87.4	Confident	72.5	Confident	21 Å²	21	56.7 Å²	56.7	13%	0.129	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-88.6	160	178.5	69.6	0	0	0	0	111.5	T484 G488 Q489 L490	T484-T486 HydrophobicContact CG2-CG2 4.22Å; T486-G488 VanDerWaalsContact C-N 3.25Å; T486-G488 PolarHBondContact O-N 3.28Å; T486-Q489 PolarHBondContact O-N 2.96Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.36Å; T486-Q489 PolarHBondContact OG1-N 3.39Å; T486-L490 PolarHBondContact O-N 3.03Å
487	L	88.8	Confident	74.8	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-58.2	-41.5	174.3	-179.2	61.1	0	0	0	111	Q278 V465 Q489 L490 Q491 Q520	Q278-L487 HydrophobicContact CB-CD2 4.5Å; Q278-L487 HydrophobicContact CG-CD2 4.15Å; V465-L487 HydrophobicContact CG1-CB 3.84Å; V465-L487 HydrophobicContact CG1-CD1 4.44Å; L487-Q489 VanDerWaalsContact C-N 3.33Å; L487-Q489 PolarHBondContact O-N 3.42Å; L487-L490 WeakPolarHBondContact O-CB 3.37Å; L487-L490 PolarHBondContact O-N 2.99Å; L487-L490 VanDerWaalsContact O-N 3.17Å; L487-Q491 HydrophobicContact CD1-CG 4.35Å; L487-Q491 HydrophobicContact CG-CG 4.32Å; L487-Q491 VanDerWaalsContact O-CG 3.23Å; L487-Q491 WeakPolarHBondContact O-CG 3.49Å; L487-Q491 PolarHBondContact O-N 3.26Å; L487-Q520 HydrophobicContact CD2-CG 4.4Å
488	G	88.7	Confident	76.9	Confident	7 Å²	7	60.1 Å²	60.1	7%	0.072	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-39.6	178.3	0	0	0	0	0	113.3	T486 Q491 T492 T571	T486-G488 VanDerWaalsContact C-N 3.25Å; T486-G488 PolarHBondContact O-N 3.28Å; G488-Q491 PolarHBondContact O-N 2.67Å; G488-T492 PolarHBondContact O-N 2.59Å; G488-T492 PolarHBondContact O-OG1 2.86Å; G488-T571 WeakPolarHBondContact CA-O 3.12Å
489	Q	90.3	Very high	79	Confident	66 Å²	66	52.4 Å²	52.4	31%	0.308	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-42.1	174.4	-72.3	169.6	-19	0	0	112.1	T484 F485 T486 L487 Q491 T492 L493	T484-Q489 PolarHBondContact O-OE1 2.64Å; F485-Q489 VanDerWaalsContact CA-OE1 3.31Å; F485-Q489 HydrophobicContact CD2-CB 4.17Å; F485-Q489 HydrophobicContact CE2-CB 4.04Å; T486-Q489 PolarHBondContact O-N 2.96Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.36Å; T486-Q489 PolarHBondContact OG1-N 3.39Å; L487-Q489 VanDerWaalsContact C-N 3.33Å; L487-Q489 PolarHBondContact O-N 3.42Å; Q489-Q491 VanDerWaalsContact C-N 3.32Å; Q489-Q491 PolarHBondContact O-N 3.5Å; Q489-T492 PolarHBondContact O-N 3.09Å; Q489-L493 WeakPolarHBondContact O-CB 3.38Å; Q489-L493 PolarHBondContact O-N 2.79Å
490	L	91.2	Very high	81	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-41.4	174.5	178.1	58.1	0	0	0	111.5	K461 I462 V465 F485 T486 L487 L493 L494 T519	K461-L490 HydrophobicContact CB-CD1 3.94Å; K461-L490 HydrophobicContact CB-CD2 4.44Å; I462-L490 HydrophobicContact CG1-CD2 4.05Å; V465-L490 HydrophobicContact CG2-CB 4.29Å; V465-L490 HydrophobicContact CG2-CD2 3.69Å; F485-L490 HydrophobicContact CE1-CB 3.71Å; F485-L490 HydrophobicContact CE1-CD1 3.94Å; F485-L490 HydrophobicContact CE1-CD2 4.36Å; F485-L490 HydrophobicContact CE1-CG 4.2Å; F485-L490 HydrophobicContact CZ-CB 3.62Å; F485-L490 HydrophobicContact CZ-CD1 3.83Å; F485-L490 HydrophobicContact CZ-CG 4.27Å; T486-L490 PolarHBondContact O-N 3.03Å; L487-L490 WeakPolarHBondContact O-CB 3.37Å; L487-L490 PolarHBondContact O-N 2.99Å; L487-L490 VanDerWaalsContact O-N 3.17Å; L490-L493 PolarHBondContact O-N 3.34Å; L490-L494 HydrophobicContact CD1-CD1 3.95Å; L490-L494 HydrophobicContact CD1-CG 4.13Å; L490-L494 HydrophobicContact CG-CD1 4.21Å; L490-L494 WeakPolarHBondContact O-CG 3.32Å; L490-L494 PolarHBondContact O-N 3.19Å; L490-L494 VanDerWaalsContact O-N 3.08Å; L490-T519 HydrophobicContact CD2-CG2 4.05Å; L490-T519 HydrophobicContact CG-CG2 4.22Å
491	Q	93.6	Very high	82.9	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-48.1	179.1	-70.6	174.4	-23.5	0	0	111.5	L487 G488 Q489 L493 L494 Y495 T519 Q520 Q521	L487-Q491 HydrophobicContact CD1-CG 4.35Å; L487-Q491 HydrophobicContact CG-CG 4.32Å; L487-Q491 VanDerWaalsContact O-CG 3.23Å; L487-Q491 WeakPolarHBondContact O-CG 3.49Å; L487-Q491 PolarHBondContact O-N 3.26Å; G488-Q491 PolarHBondContact O-N 2.67Å; Q489-Q491 VanDerWaalsContact C-N 3.32Å; Q489-Q491 PolarHBondContact O-N 3.5Å; Q491-L493 PolarHBondContact O-N 3.17Å; Q491-L494 PolarHBondContact O-N 3.24Å; Q491-Y495 VanDerWaalsContact O-CB 3.29Å; Q491-Y495 WeakPolarHBondContact O-CB 3.12Å; Q491-Y495 PolarHBondContact O-N 3.47Å; Q491-T519 WeakPolarHBondContact CG-O 2.97Å; Q491-T519 PolarHBondContact NE2-O 3.21Å; Q491-Q520 PolarHBondContact NE2-O 2.82Å; Q491-Q521 VanDerWaalsContact CA-NE2 3.3Å; Q491-Q521 HydrophobicContact CB-CG 3.95Å; Q491-Q521 HydrophobicContact CG-CG 3.57Å; Q491-Q521 PolarHBondContact O-NE2 3.23Å
492	T	90.3	Very high	84.9	Confident	43 Å²	43	51.8 Å²	51.8	26%	0.264	27%	0.274	S	S	.	.	H	α-helix	trans	-61.4	-40.4	174.3	-67.3	0	0	0	0	112.3	G488 Q489 L494 E496 T497	G488-T492 PolarHBondContact O-N 2.59Å; G488-T492 PolarHBondContact O-OG1 2.86Å; Q489-T492 PolarHBondContact O-N 3.09Å; T492-L494 PolarHBondContact O-N 2.88Å; T492-E496 HydrophobicContact CG2-CB 4.27Å; T492-E496 HydrophobicContact CG2-CG 4.44Å; T492-E496 WeakPolarHBondContact CG2-OE2 3.41Å; T492-E496 WeakPolarHBondContact O-CA 3.44Å; T492-E496 WeakPolarHBondContact O-CB 3.38Å; T492-E496 PolarHBondContact O-N 2.83Å; T492-T497 PolarHBondContact O-N 3.48Å; T492-T497 VanDerWaalsContact O-N 3.13Å
493	L	90.7	Very high	86.6	Confident	39 Å²	39	45.2 Å²	45.2	20%	0.204	24%	0.238	C	C	.	.	I	π-helix	trans	-59.3	-48.7	177.4	179.1	68.2	0	0	0	111.4	F457 F485 Q489 L490 Q491 T497 Y498	F457-L493 HydrophobicContact CZ-CD2 4.37Å; F485-L493 HydrophobicContact CZ-CD2 4.46Å; Q489-L493 WeakPolarHBondContact O-CB 3.38Å; Q489-L493 PolarHBondContact O-N 2.79Å; L490-L493 PolarHBondContact O-N 3.34Å; Q491-L493 PolarHBondContact O-N 3.17Å; L493-T497 HydrophobicContact CD1-CG2 4.11Å; L493-T497 WeakPolarHBondContact O-CB 3.46Å; L493-T497 PolarHBondContact O-N 3.24Å; L493-Y498 HydrophobicContact CD1-CE1 4.33Å; L493-Y498 HydrophobicContact CD1-CE2 4.15Å; L493-Y498 HydrophobicContact CD2-CE2 4.12Å; L493-Y498 HydrophobicContact CG-CD2 4.27Å; L493-Y498 HydrophobicContact CG-CE2 3.8Å; L493-Y498 PolarHBondContact O-N 2.97Å
494	L	91.6	Very high	88	Confident	1 Å²	1	46 Å²	46	1%	0.005	24%	0.242	C	C	.	.	I	π-helix	trans	-74.7	-41.1	-176.9	-65.8	173	0	0	0	112.6	F457 L458 L490 Q491 T492 Y498 G499 F503 I515 T519	F457-L494 HydrophobicContact CE1-CD2 4.13Å; L458-L494 HydrophobicContact CD2-CD1 3.78Å; L458-L494 HydrophobicContact CD2-CD2 4.26Å; L490-L494 HydrophobicContact CD1-CD1 3.95Å; L490-L494 HydrophobicContact CD1-CG 4.13Å; L490-L494 HydrophobicContact CG-CD1 4.21Å; L490-L494 WeakPolarHBondContact O-CG 3.32Å; L490-L494 PolarHBondContact O-N 3.19Å; L490-L494 VanDerWaalsContact O-N 3.08Å; Q491-L494 PolarHBondContact O-N 3.24Å; T492-L494 PolarHBondContact O-N 2.88Å; L494-Y498 HydrophobicContact CD2-CD2 3.9Å; L494-Y498 HydrophobicContact CD2-CE2 4.21Å; L494-G499 PolarHBondContact O-N 2.7Å; L494-G499 VanDerWaalsContact O-N 3.12Å; L494-F503 HydrophobicContact CD2-CE2 4.48Å; L494-F503 HydrophobicContact CD2-CZ 3.95Å; L494-I515 HydrophobicContact CD1-CG2 3.94Å; L494-I515 HydrophobicContact CD2-CG2 4.3Å; L494-T519 HydrophobicContact CD1-CG2 3.19Å
495	Y	89.4	Confident	88.7	Confident	46 Å²	46	44.8 Å²	44.8	18%	0.18	23%	0.234	C	C	.	.	I	π-helix	trans	-84.8	-41.5	-173.5	-172.8	-93.9	0	0	0	113.4	Q491 G499 L516 A524 R574	Q491-Y495 VanDerWaalsContact O-CB 3.29Å; Q491-Y495 WeakPolarHBondContact O-CB 3.12Å; Q491-Y495 PolarHBondContact O-N 3.47Å; Y495-G499 VanDerWaalsContact O-CA 3.31Å; Y495-G499 WeakPolarHBondContact O-CA 3.25Å; Y495-L516 HydrophobicContact CD2-CD1 4.41Å; Y495-L516 HydrophobicContact CD2-CD2 3.99Å; Y495-A524 HydrophobicContact CD2-CB 4.06Å; Y495-A524 HydrophobicContact CE2-CB 3.68Å; Y495-R574 VanDerWaalsContact CD1-NH2 3.34Å; Y495-R574 VanDerWaalsContact CE1-NE 3.29Å; Y495-R574 VanDerWaalsContact CE1-NH2 3.28Å
496	E	88.3	Confident	88.8	Confident	103 Å²	103	49.6 Å²	49.6	48%	0.481	25%	0.252	S	S	.	.	I	π-helix	trans	-102.1	-44.4	-174.1	-57.2	-177.4	177.2	0	0	112.3	T492 R574	T492-E496 HydrophobicContact CG2-CB 4.27Å; T492-E496 HydrophobicContact CG2-CG 4.44Å; T492-E496 WeakPolarHBondContact CG2-OE2 3.41Å; T492-E496 WeakPolarHBondContact O-CA 3.44Å; T492-E496 WeakPolarHBondContact O-CB 3.38Å; T492-E496 PolarHBondContact O-N 2.83Å; E496-R574 IonicContact OE1-NH2 3.05Å; E496-R574 PolarHBondContact OE1-NH2 3.23Å
497	T	87.7	Confident	88.9	Confident	99 Å²	99	51.7 Å²	51.7	61%	0.607	27%	0.267	S	S	*	.	I	π-helix	trans	-79.1	-48.7	-173.6	-52	0	0	0	0	112.4	T492 L493	T492-T497 PolarHBondContact O-N 3.48Å; T492-T497 VanDerWaalsContact O-N 3.13Å; L493-T497 HydrophobicContact CD1-CG2 4.11Å; L493-T497 WeakPolarHBondContact O-CB 3.46Å; L493-T497 PolarHBondContact O-N 3.24Å
498	Y	87.5	Confident	89	Confident	66 Å²	66	56.5 Å²	56.5	26%	0.259	29%	0.29	S	S	.	.	I	π-helix	trans	-81.3	-51	172.2	-63.5	-33.4	0	0	0	110.8	F457 L493 L494 H502 F503	F457-Y498 HydrophobicContact CE1-CE2 4.13Å; F457-Y498 AromaticContact CZ-CE2 3.99Å; F457-Y498 HydrophobicContact CZ-CE2 3.99Å; L493-Y498 HydrophobicContact CD1-CE1 4.33Å; L493-Y498 HydrophobicContact CD1-CE2 4.15Å; L493-Y498 HydrophobicContact CD2-CE2 4.12Å; L493-Y498 HydrophobicContact CG-CD2 4.27Å; L493-Y498 HydrophobicContact CG-CE2 3.8Å; L493-Y498 PolarHBondContact O-N 2.97Å; L494-Y498 HydrophobicContact CD2-CD2 3.9Å; L494-Y498 HydrophobicContact CD2-CE2 4.21Å; Y498-H502 WeakPolarHBondContact O-CB 3.46Å; Y498-F503 HydrophobicContact CD2-CE2 4.25Å; Y498-F503 AromaticContact CD2-CZ 3.88Å; Y498-F503 HydrophobicContact CD2-CZ 3.88Å; Y498-F503 HydrophobicContact CG-CE2 4.4Å; Y498-F503 HydrophobicContact CG-CZ 4.35Å
499	G	85.5	Confident	89.1	Confident	11 Å²	11	57.1 Å²	57.1	11%	0.113	29%	0.292	C	S	.	.	H	α-helix	trans	62.7	-176.1	176.6	0	0	0	0	0	114.4	L494 Y495 V501 H502 F503	L494-G499 PolarHBondContact O-N 2.7Å; L494-G499 VanDerWaalsContact O-N 3.12Å; Y495-G499 VanDerWaalsContact O-CA 3.31Å; Y495-G499 WeakPolarHBondContact O-CA 3.25Å; G499-V501 VanDerWaalsContact C-N 3.29Å; G499-V501 PolarHBondContact O-N 3.07Å; G499-H502 PolarHBondContact O-N 3.16Å; G499-F503 VanDerWaalsContact O-CD2 3.25Å; G499-F503 WeakPolarHBondContact O-CD2 3.31Å
500	E	87.8	Confident	89.1	Confident	30 Å²	30	54.7 Å²	54.7	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-29	-171.4	-60.8	179.1	-164.8	0	0	113.3	D504 A505 F512 F528 R531	E500-D504 PolarHBondContact O-N 3.28Å; E500-A505 HydrophobicContact CB-CB 4.03Å; E500-A505 WeakPolarHBondContact O-CB 3.25Å; E500-A505 PolarHBondContact O-N 2.99Å; E500-F512 HydrophobicContact CG-CE1 3.79Å; E500-F512 HydrophobicContact CG-CZ 3.89Å; E500-F528 HydrophobicContact CG-CD2 4.36Å; E500-F528 HydrophobicContact CG-CE2 4.25Å; E500-R531 IonicContact OE1-CZ 3.04Å; E500-R531 IonicContact OE1-NH1 2.66Å; E500-R531 PolarHBondContact OE1-NH1 3.42Å; E500-R531 IonicContact OE1-NH2 3.26Å; E500-R531 PolarHBondContact OE1-NH2 3.1Å; E500-R531 VanDerWaalsContact OE1-NH2 3.16Å; E500-R531 IonicContact OE2-NH1 2.62Å; E500-R531 PolarHBondContact OE2-NH1 3.01Å
501	V	87.6	Confident	89.2	Confident	140 Å²	140	57.3 Å²	57.3	85%	0.848	30%	0.298	S	S	*	.	H	α-helix	trans	-71.9	-40.2	-177.7	-179.8	0	0	0	0	111.5	G499 F503 D504	G499-V501 VanDerWaalsContact C-N 3.29Å; G499-V501 PolarHBondContact O-N 3.07Å; V501-F503 VanDerWaalsContact C-N 3.27Å; V501-F503 PolarHBondContact O-N 3.06Å; V501-D504 PolarHBondContact O-N 2.92Å
502	H	87.7	Confident	89.2	Confident	118 Å²	118	57.4 Å²	57.4	55%	0.546	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-35.5	179.7	176.8	-89.2	0	0	0	112.3	Y498 G499	Y498-H502 WeakPolarHBondContact O-CB 3.46Å; G499-H502 PolarHBondContact O-N 3.16Å
503	F	88.2	Confident	89.4	Confident	23 Å²	23	55.4 Å²	55.4	10%	0.101	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	3.5	-178	-65.1	-67.2	0	0	0	114.2	I454 L494 Y498 G499 V501 A505 F512 I515	I454-F503 HydrophobicContact CD1-CD1 3.8Å; I454-F503 HydrophobicContact CD1-CE1 3.99Å; I454-F503 HydrophobicContact CG1-CE1 4.41Å; I454-F503 HydrophobicContact CG2-CE1 4.47Å; L494-F503 HydrophobicContact CD2-CE2 4.48Å; L494-F503 HydrophobicContact CD2-CZ 3.95Å; Y498-F503 HydrophobicContact CD2-CE2 4.25Å; Y498-F503 AromaticContact CD2-CZ 3.88Å; Y498-F503 HydrophobicContact CD2-CZ 3.88Å; Y498-F503 HydrophobicContact CG-CE2 4.4Å; Y498-F503 HydrophobicContact CG-CZ 4.35Å; G499-F503 VanDerWaalsContact O-CD2 3.25Å; G499-F503 WeakPolarHBondContact O-CD2 3.31Å; V501-F503 VanDerWaalsContact C-N 3.27Å; V501-F503 PolarHBondContact O-N 3.06Å; F503-A505 PolarHBondContact O-N 3.14Å; F503-F512 HydrophobicContact CB-CD2 3.87Å; F503-F512 HydrophobicContact CB-CE2 4.46Å; F503-F512 AromaticContact CD2-CD2 3.7Å; F503-F512 HydrophobicContact CD2-CD2 3.7Å; F503-F512 AromaticContact CD2-CE2 3.57Å; F503-F512 HydrophobicContact CD2-CE2 3.57Å; F503-F512 HydrophobicContact CE2-CE2 4.21Å; F503-F512 AromaticContact CG-CD2 3.97Å; F503-F512 HydrophobicContact CG-CD2 3.97Å; F503-F512 HydrophobicContact CG-CE2 4.31Å; F503-I515 HydrophobicContact CD1-CD1 3.68Å; F503-I515 HydrophobicContact CE1-CD1 3.83Å; F503-I515 HydrophobicContact CG-CD1 4.09Å; F503-I515 HydrophobicContact CZ-CD1 4.36Å
504	D	88.6	Confident	89.6	Confident	98 Å²	98	55 Å²	55	52%	0.524	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	46.1	-171	-168.9	21.5	0	0	0	111.4	E500 V501 W506 S507 Q508	E500-D504 PolarHBondContact O-N 3.28Å; V501-D504 PolarHBondContact O-N 2.92Å; D504-W506 PolarHBondContact O-N 3.07Å; D504-S507 PolarHBondContact O-N 3.47Å; D504-S507 PolarHBondContact O-OG 3.28Å; D504-S507 VanDerWaalsContact O-OG 3.1Å; D504-S507 WeakPolarHBondContact OD2-CB 3.48Å; D504-S507 PolarHBondContact OD2-OG 3.49Å; D504-Q508 PolarHBondContact O-N 3.47Å
505	A	87.4	Confident	89.7	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.5	-165	0	0	0	0	0	112.8	E500 F503 Q508 P509 F512 F528	E500-A505 HydrophobicContact CB-CB 4.03Å; E500-A505 WeakPolarHBondContact O-CB 3.25Å; E500-A505 PolarHBondContact O-N 2.99Å; F503-A505 PolarHBondContact O-N 3.14Å; A505-Q508 CarbonylContact O-C 3.42Å; A505-P509 WeakPolarHBondContact O-CA 3.43Å; A505-F512 HydrophobicContact CB-CB 3.74Å; A505-F512 HydrophobicContact CB-CD1 3.75Å; A505-F512 HydrophobicContact CB-CD2 4.18Å; A505-F512 HydrophobicContact CB-CE1 4.38Å; A505-F512 HydrophobicContact CB-CG 3.62Å; A505-F528 HydrophobicContact CB-CE1 4.32Å; A505-F528 HydrophobicContact CB-CE2 3.87Å; A505-F528 HydrophobicContact CB-CZ 3.48Å; A505-F528 VanDerWaalsContact CB-CZ 3.48Å; A505-F528 WeakPolarHBondContact O-CZ 3.49Å
506	W	86.6	Confident	90	Very high	121 Å²	121	52.8 Å²	52.8	46%	0.458	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-29.2	176.2	-68.4	94.5	0	0	0	113.7	D504 F532	D504-W506 PolarHBondContact O-N 3.07Å; W506-F532 HydrophobicContact CD2-CZ 4.16Å; W506-F532 AromaticContact CE3-CE1 3.62Å; W506-F532 HydrophobicContact CE3-CE1 3.62Å; W506-F532 HydrophobicContact CE3-CE2 4.5Å; W506-F532 AromaticContact CE3-CZ 3.49Å; W506-F532 HydrophobicContact CE3-CZ 3.49Å; W506-F532 VanDerWaalsContact CE3-CZ 3.49Å; W506-F532 HydrophobicContact CZ3-CE1 4.05Å; W506-F532 AromaticContact CZ3-CZ 3.9Å; W506-F532 HydrophobicContact CZ3-CZ 3.9Å
507	S	89.7	Confident	90.3	Very high	65 Å²	65	48.1 Å²	48.1	46%	0.455	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-34.4	176.1	81.7	0	0	0	0	112	D504 P509	D504-S507 PolarHBondContact O-N 3.47Å; D504-S507 PolarHBondContact O-OG 3.28Å; D504-S507 VanDerWaalsContact O-OG 3.1Å; D504-S507 WeakPolarHBondContact OD2-CB 3.48Å; D504-S507 PolarHBondContact OD2-OG 3.49Å; S507-P509 VanDerWaalsContact C-CD 3.48Å; S507-P509 WeakPolarHBondContact O-CD 3.33Å
508	Q	90	Very high	90.7	Very high	109 Å²	109	43.4 Å²	43.4	51%	0.509	22%	0.223	S	C	.	.			trans	-125.9	68.2	-178.6	-64.3	-177.7	11.7	0	0	112	D504 A505 L510 V511 F512	D504-Q508 PolarHBondContact O-N 3.47Å; A505-Q508 CarbonylContact O-C 3.42Å; Q508-L510 VanDerWaalsContact C-N 3.31Å; Q508-L510 PolarHBondContact O-N 2.8Å; Q508-V511 HydrophobicContact CB-CB 4.12Å; Q508-V511 HydrophobicContact CB-CG2 4.02Å; Q508-V511 PolarHBondContact O-N 3.23Å; Q508-F512 PolarHBondContact O-N 3.41Å
509	P	91.2	Very high	91	Very high	20 Å²	20	40.3 Å²	40.3	13%	0.13	21%	0.211	C	C	.	.	H	α-helix	trans	-65.4	-33.2	-173.1	24.7	-34.8	0	0	0	113.5	A505 S507 F512 F513 F528 F532 L535	A505-P509 WeakPolarHBondContact O-CA 3.43Å; S507-P509 VanDerWaalsContact C-CD 3.48Å; S507-P509 WeakPolarHBondContact O-CD 3.33Å; P509-F512 PolarHBondContact O-N 3.05Å; P509-F513 VanDerWaalsContact O-CB 3.3Å; P509-F513 WeakPolarHBondContact O-CB 3.34Å; P509-F513 PolarHBondContact O-N 3.05Å; P509-F528 HydrophobicContact CB-CE1 3.94Å; P509-F528 HydrophobicContact CB-CZ 4.49Å; P509-F532 HydrophobicContact CB-CD2 4.05Å; P509-F532 HydrophobicContact CB-CE1 4.22Å; P509-F532 HydrophobicContact CB-CE2 3.7Å; P509-F532 HydrophobicContact CB-CG 4.49Å; P509-F532 HydrophobicContact CB-CZ 3.79Å; P509-F532 HydrophobicContact CG-CE1 4.37Å; P509-F532 HydrophobicContact CG-CZ 4.41Å; P509-L535 HydrophobicContact CB-CD1 4.12Å; P509-L535 HydrophobicContact CG-CD1 3.73Å
510	L	91.5	Very high	91.4	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-69.1	-35.3	-179.9	-63.6	-176.5	0	0	0	112.2	D240 I241 M244 Q508 K514 L529 L535	D240-L510 HydrophobicContact CB-CB 4.36Å; D240-L510 HydrophobicContact CB-CD1 3.56Å; I241-L510 HydrophobicContact CG1-CD1 4.24Å; I241-L510 HydrophobicContact CG1-CD2 4.47Å; M244-L510 HydrophobicContact CE-CB 3.38Å; M244-L510 HydrophobicContact CE-CD1 4.36Å; M244-L510 HydrophobicContact CE-CD2 3.3Å; M244-L510 HydrophobicContact CE-CG 3.79Å; M244-L510 WeakPolarHBondContact CE-O 3.45Å; M244-L510 HydrophobicContact SD-CD2 3.94Å; Q508-L510 VanDerWaalsContact C-N 3.31Å; Q508-L510 PolarHBondContact O-N 2.8Å; L510-K514 WeakPolarHBondContact O-CB 3.47Å; L510-K514 PolarHBondContact O-N 3.3Å; L510-L529 HydrophobicContact CD2-CD1 4.09Å; L510-L535 HydrophobicContact CD2-CD1 3.83Å; L510-L535 HydrophobicContact CD2-CD2 4.04Å; L510-L535 HydrophobicContact CG-CD1 4.38Å
511	V	92	Very high	91.7	Very high	55 Å²	55	38.6 Å²	38.6	33%	0.333	20%	0.2	S	C	.	.	H	α-helix	trans	-66.9	-48.5	175.7	178.9	0	0	0	0	109.8	Q508 F513 K514 I515	Q508-V511 HydrophobicContact CB-CB 4.12Å; Q508-V511 HydrophobicContact CB-CG2 4.02Å; Q508-V511 PolarHBondContact O-N 3.23Å; V511-F513 VanDerWaalsContact C-N 3.35Å; V511-F513 PolarHBondContact O-N 2.85Å; V511-K514 WeakPolarHBondContact O-CB 3.43Å; V511-K514 PolarHBondContact O-N 2.97Å; V511-K514 VanDerWaalsContact O-N 3.15Å; V511-I515 HydrophobicContact CG1-CD1 4.28Å; V511-I515 VanDerWaalsContact O-CG1 3.31Å; V511-I515 WeakPolarHBondContact O-CG1 3.38Å; V511-I515 PolarHBondContact O-N 3.04Å
512	F	94.2	Very high	92	Very high	2 Å²	2	32 Å²	32	1%	0.009	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-38.8	178	-172.3	-113.4	0	0	0	112.7	E500 F503 A505 Q508 P509 K514 I515 L516 F528	E500-F512 HydrophobicContact CG-CE1 3.79Å; E500-F512 HydrophobicContact CG-CZ 3.89Å; F503-F512 HydrophobicContact CB-CD2 3.87Å; F503-F512 HydrophobicContact CB-CE2 4.46Å; F503-F512 AromaticContact CD2-CD2 3.7Å; F503-F512 HydrophobicContact CD2-CD2 3.7Å; F503-F512 AromaticContact CD2-CE2 3.57Å; F503-F512 HydrophobicContact CD2-CE2 3.57Å; F503-F512 HydrophobicContact CE2-CE2 4.21Å; F503-F512 AromaticContact CG-CD2 3.97Å; F503-F512 HydrophobicContact CG-CD2 3.97Å; F503-F512 HydrophobicContact CG-CE2 4.31Å; A505-F512 HydrophobicContact CB-CB 3.74Å; A505-F512 HydrophobicContact CB-CD1 3.75Å; A505-F512 HydrophobicContact CB-CD2 4.18Å; A505-F512 HydrophobicContact CB-CE1 4.38Å; A505-F512 HydrophobicContact CB-CG 3.62Å; Q508-F512 PolarHBondContact O-N 3.41Å; P509-F512 PolarHBondContact O-N 3.05Å; F512-K514 VanDerWaalsContact C-N 3.34Å; F512-K514 PolarHBondContact O-N 3.07Å; F512-I515 HydrophobicContact CD2-CD1 4.44Å; F512-I515 WeakPolarHBondContact O-CB 3.36Å; F512-I515 PolarHBondContact O-N 3.38Å; F512-L516 HydrophobicContact CD1-CD1 4.05Å; F512-L516 HydrophobicContact CE1-CD1 3.53Å; F512-L516 HydrophobicContact CE1-CG 4.2Å; F512-L516 HydrophobicContact CE2-CG 4.46Å; F512-L516 HydrophobicContact CZ-CD1 3.86Å; F512-L516 HydrophobicContact CZ-CD2 4.25Å; F512-L516 HydrophobicContact CZ-CG 4.15Å; F512-L516 PolarHBondContact O-N 3.37Å; F512-L516 VanDerWaalsContact O-N 3.11Å; F512-F528 HydrophobicContact CB-CE1 4.24Å; F512-F528 AromaticContact CD1-CD1 3.65Å; F512-F528 HydrophobicContact CD1-CD1 3.65Å; F512-F528 AromaticContact CD1-CD2 3.98Å; F512-F528 HydrophobicContact CD1-CD2 3.98Å; F512-F528 AromaticContact CD1-CE1 3.65Å; F512-F528 HydrophobicContact CD1-CE1 3.65Å; F512-F528 AromaticContact CD1-CE2 3.99Å; F512-F528 HydrophobicContact CD1-CE2 3.99Å; F512-F528 AromaticContact CD1-CG 3.83Å; F512-F528 HydrophobicContact CD1-CG 3.83Å; F512-F528 AromaticContact CD1-CZ 3.84Å; F512-F528 HydrophobicContact CD1-CZ 3.84Å; F512-F528 HydrophobicContact CE1-CD1 4.32Å; F512-F528 AromaticContact CE1-CD2 3.98Å; F512-F528 HydrophobicContact CE1-CD2 3.98Å; F512-F528 HydrophobicContact CE1-CE2 4.26Å; F512-F528 HydrophobicContact CE1-CG 4.03Å; F512-F528 HydrophobicContact CG-CE1 4.42Å
513	F	94.9	Very high	92.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-56.7	-47.1	170.9	177.8	-94.6	0	0	0	111.9	M244 P509 V511 I515 L516 C517 A525 I526 L529 I542	M244-F513 HydrophobicContact CB-CE1 4.48Å; M244-F513 HydrophobicContact CE-CB 4.38Å; M244-F513 HydrophobicContact CE-CD1 3.59Å; M244-F513 HydrophobicContact CE-CE1 4.32Å; M244-F513 HydrophobicContact CE-CG 4.33Å; M244-F513 HydrophobicContact CG-CD1 4.09Å; M244-F513 HydrophobicContact CG-CE1 4.03Å; M244-F513 HydrophobicContact SD-CD1 3.58Å; M244-F513 VanDerWaalsContact SD-CD1 3.58Å; M244-F513 HydrophobicContact SD-CE1 3.71Å; P509-F513 VanDerWaalsContact O-CB 3.3Å; P509-F513 WeakPolarHBondContact O-CB 3.34Å; P509-F513 PolarHBondContact O-N 3.05Å; V511-F513 VanDerWaalsContact C-N 3.35Å; V511-F513 PolarHBondContact O-N 2.85Å; F513-I515 PolarHBondContact O-N 2.9Å; F513-L516 PolarHBondContact O-N 3.44Å; F513-C517 WeakPolarHBondContact CE1-SG 3.35Å; F513-C517 WeakPolarHBondContact CZ-SG 3.37Å; F513-C517 WeakPolarHBondContact O-CB 3.09Å; F513-C517 PolarHBondContact O-N 3.48Å; F513-C517 PolarHBondContact O-SG 3.25Å; F513-A525 HydrophobicContact CD2-CB 3.65Å; F513-A525 WeakPolarHBondContact CD2-O 3.45Å; F513-A525 HydrophobicContact CE2-CB 3.72Å; F513-A525 HydrophobicContact CG-CB 4.48Å; F513-I526 HydrophobicContact CE2-CG1 4.46Å; F513-L529 HydrophobicContact CB-CD1 4.5Å; F513-L529 HydrophobicContact CD2-CB 3.75Å; F513-L529 HydrophobicContact CD2-CD1 4.48Å; F513-L529 HydrophobicContact CD2-CD2 3.74Å; F513-L529 HydrophobicContact CD2-CG 4.2Å; F513-L529 HydrophobicContact CE2-CB 4.17Å; F513-L529 HydrophobicContact CE2-CD2 3.72Å; F513-L529 HydrophobicContact CG-CD2 4.2Å; F513-L529 HydrophobicContact CZ-CD2 4.15Å; F513-I542 HydrophobicContact CE1-CD1 4.23Å; F513-I542 HydrophobicContact CZ-CD1 3.78Å
514	K	93.9	Very high	92.6	Very high	29 Å²	29	25.5 Å²	25.5	13%	0.126	13%	0.13	C	C	.	.	H	α-helix	trans	-58.7	-45.8	176.4	176.1	179.8	175.7	175.9	0	111.8	E243 E292 D455 L510 V511 F512 L516 C517 L518	E243-K514 WeakPolarHBondContact OE1-CD 3.38Å; E243-K514 WeakPolarHBondContact OE1-CE 3.14Å; E243-K514 IonicContact OE1-NZ 2.95Å; E243-K514 PolarHBondContact OE1-NZ 3.27Å; E292-K514 IonicContact OE1-NZ 3.61Å; E292-K514 PolarHBondContact OE1-NZ 3.38Å; E292-K514 WeakPolarHBondContact OE2-CE 3.3Å; E292-K514 IonicContact OE2-NZ 2.72Å; E292-K514 PolarHBondContact OE2-NZ 3.09Å; D455-K514 IonicContact OD1-NZ 3.83Å; L510-K514 WeakPolarHBondContact O-CB 3.47Å; L510-K514 PolarHBondContact O-N 3.3Å; V511-K514 WeakPolarHBondContact O-CB 3.43Å; V511-K514 PolarHBondContact O-N 2.97Å; V511-K514 VanDerWaalsContact O-N 3.15Å; F512-K514 VanDerWaalsContact C-N 3.34Å; F512-K514 PolarHBondContact O-N 3.07Å; K514-L516 VanDerWaalsContact C-N 3.33Å; K514-L516 PolarHBondContact O-N 2.86Å; K514-C517 PolarHBondContact O-N 3.43Å; K514-L518 HydrophobicContact CD-CD1 4.42Å; K514-L518 HydrophobicContact CG-CD1 3.7Å; K514-L518 HydrophobicContact CG-CG 4.19Å; K514-L518 WeakPolarHBondContact O-CB 3.08Å; K514-L518 VanDerWaalsContact O-CG 3.27Å; K514-L518 WeakPolarHBondContact O-CG 3.42Å; K514-L518 PolarHBondContact O-N 3.02Å
515	I	94.9	Very high	92.9	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-55	-48.5	176.9	-64.8	168.6	0	0	0	110.9	I454 L458 L494 F503 V511 F512 F513 T519	I454-I515 HydrophobicContact CG2-CD1 3.85Å; I454-I515 HydrophobicContact CG2-CG1 4.06Å; L458-I515 HydrophobicContact CD1-CB 4.33Å; L458-I515 HydrophobicContact CD1-CG1 3.99Å; L458-I515 HydrophobicContact CD1-CG2 4.31Å; L458-I515 HydrophobicContact CD2-CG2 4.26Å; L494-I515 HydrophobicContact CD1-CG2 3.94Å; L494-I515 HydrophobicContact CD2-CG2 4.3Å; F503-I515 HydrophobicContact CD1-CD1 3.68Å; F503-I515 HydrophobicContact CE1-CD1 3.83Å; F503-I515 HydrophobicContact CG-CD1 4.09Å; F503-I515 HydrophobicContact CZ-CD1 4.36Å; V511-I515 HydrophobicContact CG1-CD1 4.28Å; V511-I515 VanDerWaalsContact O-CG1 3.31Å; V511-I515 WeakPolarHBondContact O-CG1 3.38Å; V511-I515 PolarHBondContact O-N 3.04Å; F512-I515 HydrophobicContact CD2-CD1 4.44Å; F512-I515 WeakPolarHBondContact O-CB 3.36Å; F512-I515 PolarHBondContact O-N 3.38Å; F513-I515 PolarHBondContact O-N 2.9Å; I515-T519 WeakPolarHBondContact O-CG2 3.5Å; I515-T519 PolarHBondContact O-N 2.8Å; I515-T519 PolarHBondContact O-OG1 2.99Å
516	L	95.3	Very high	93.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.6	-40.8	-179.9	-66.1	179.9	0	0	0	112.2	Y495 F512 F513 K514 T519 Q520 Q521 A524 A525	Y495-L516 HydrophobicContact CD2-CD1 4.41Å; Y495-L516 HydrophobicContact CD2-CD2 3.99Å; F512-L516 HydrophobicContact CD1-CD1 4.05Å; F512-L516 HydrophobicContact CE1-CD1 3.53Å; F512-L516 HydrophobicContact CE1-CG 4.2Å; F512-L516 HydrophobicContact CE2-CG 4.46Å; F512-L516 HydrophobicContact CZ-CD1 3.86Å; F512-L516 HydrophobicContact CZ-CD2 4.25Å; F512-L516 HydrophobicContact CZ-CG 4.15Å; F512-L516 PolarHBondContact O-N 3.37Å; F512-L516 VanDerWaalsContact O-N 3.11Å; F513-L516 PolarHBondContact O-N 3.44Å; K514-L516 VanDerWaalsContact C-N 3.33Å; K514-L516 PolarHBondContact O-N 2.86Å; L516-T519 CarbonylContact O-C 3.58Å; L516-T519 PolarHBondContact O-N 3.32Å; L516-T519 PolarHBondContact O-OG1 3.09Å; L516-Q520 PolarHBondContact O-N 3.4Å; L516-Q521 HydrophobicContact CB-CB 4.3Å; L516-Q521 HydrophobicContact CD2-CB 4.37Å; L516-Q521 PolarHBondContact O-N 3.07Å; L516-A524 HydrophobicContact CD1-CB 4.28Å; L516-A525 HydrophobicContact CB-CB 3.62Å; L516-A525 HydrophobicContact CD1-CB 4.27Å
517	C	94.6	Very high	93.5	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.027	8%	0.084	C	C	.	.	H	α-helix	trans	-63.9	-42.5	176.2	-77.6	0	0	0	0	112.8	F247 F513 K514 T519 Q520	F247-C517 HydrophobicContact CD1-CB 4.44Å; F247-C517 HydrophobicContact CE1-CB 4.04Å; F513-C517 WeakPolarHBondContact CE1-SG 3.35Å; F513-C517 WeakPolarHBondContact CZ-SG 3.37Å; F513-C517 WeakPolarHBondContact O-CB 3.09Å; F513-C517 PolarHBondContact O-N 3.48Å; F513-C517 PolarHBondContact O-SG 3.25Å; K514-C517 PolarHBondContact O-N 3.43Å; C517-T519 VanDerWaalsContact C-N 3.26Å; C517-T519 PolarHBondContact O-N 3Å; C517-Q520 PolarHBondContact O-N 3.48Å; C517-Q520 VanDerWaalsContact O-N 3.08Å
518	L	94.8	Very high	93.6	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-65.8	-30.7	178.1	-71.2	171.2	0	0	0	112.3	F247 S285 H288 L289 L458 I462 K514 Q520	F247-L518 HydrophobicContact CD2-CD2 4.42Å; F247-L518 HydrophobicContact CE1-CD2 4.16Å; F247-L518 HydrophobicContact CE2-CD2 3.82Å; F247-L518 HydrophobicContact CZ-CD2 3.67Å; S285-L518 WeakPolarHBondContact CB-O 3.24Å; S285-L518 WeakPolarHBondContact OG-CA 3.42Å; S285-L518 PolarHBondContact OG-O 3.25Å; H288-L518 HydrophobicContact CB-CD2 4.46Å; L289-L518 HydrophobicContact CD1-CD1 4.26Å; L289-L518 HydrophobicContact CD2-CD1 3.75Å; L289-L518 HydrophobicContact CG-CD1 4.09Å; L458-L518 HydrophobicContact CD1-CD1 4.07Å; I462-L518 HydrophobicContact CD1-CB 4.33Å; K514-L518 HydrophobicContact CD-CD1 4.42Å; K514-L518 HydrophobicContact CG-CD1 3.7Å; K514-L518 HydrophobicContact CG-CG 4.19Å; K514-L518 WeakPolarHBondContact O-CB 3.08Å; K514-L518 VanDerWaalsContact O-CG 3.27Å; K514-L518 WeakPolarHBondContact O-CG 3.42Å; K514-L518 PolarHBondContact O-N 3.02Å; L518-Q520 PolarHBondContact O-N 3.41Å
519	T	93.7	Very high	93.8	Very high	1 Å²	1	7 Å²	7	1%	0.006	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	14.1	174.7	60.3	0	0	0	0	113.6	L458 L490 Q491 L494 I515 L516 C517 Q521	L458-T519 HydrophobicContact CD2-CG2 4.14Å; L490-T519 HydrophobicContact CD2-CG2 4.05Å; L490-T519 HydrophobicContact CG-CG2 4.22Å; Q491-T519 WeakPolarHBondContact CG-O 2.97Å; Q491-T519 PolarHBondContact NE2-O 3.21Å; L494-T519 HydrophobicContact CD1-CG2 3.19Å; I515-T519 WeakPolarHBondContact O-CG2 3.5Å; I515-T519 PolarHBondContact O-N 2.8Å; I515-T519 PolarHBondContact O-OG1 2.99Å; L516-T519 CarbonylContact O-C 3.58Å; L516-T519 PolarHBondContact O-N 3.32Å; L516-T519 PolarHBondContact O-OG1 3.09Å; C517-T519 VanDerWaalsContact C-N 3.26Å; C517-T519 PolarHBondContact O-N 3Å; T519-Q521 VanDerWaalsContact C-N 3.31Å; T519-Q521 PolarHBondContact O-N 3.06Å; T519-Q521 PolarHBondContact OG1-NE2 2.86Å
520	Q	94.3	Very high	93.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	35.2	174.4	-35.6	-179.5	19.8	0	0	113.2	R272 Q278 L281 S282 L487 Q491 L516 C517 L518 Y522	R272-Q520 VanDerWaalsContact CZ-O 3.23Å; R272-Q520 VanDerWaalsContact NH1-CB 3.27Å; R272-Q520 PolarHBondContact NH1-O 3.4Å; R272-Q520 PolarHBondContact NH2-O 3.18Å; Q278-Q520 PolarHBondContact O-NE2 2.75Å; L281-Q520 HydrophobicContact CB-CG 4.13Å; S282-Q520 PolarHBondContact OG-NE2 2.9Å; L487-Q520 HydrophobicContact CD2-CG 4.4Å; Q491-Q520 PolarHBondContact NE2-O 2.82Å; L516-Q520 PolarHBondContact O-N 3.4Å; C517-Q520 PolarHBondContact O-N 3.48Å; C517-Q520 VanDerWaalsContact O-N 3.08Å; L518-Q520 PolarHBondContact O-N 3.41Å; Q520-Y522 HydrophobicContact CB-CE2 4.39Å
521	Q	93.8	Very high	93.6	Very high	5 Å²	5	7.2 Å²	7.2	2%	0.023	4%	0.036	C	C	.	.			trans	-107.3	62.6	174.5	-63.2	-178.1	73.8	0	0	110.7	Q491 L516 T519 E523 A524 A525	Q491-Q521 VanDerWaalsContact CA-NE2 3.3Å; Q491-Q521 HydrophobicContact CB-CG 3.95Å; Q491-Q521 HydrophobicContact CG-CG 3.57Å; Q491-Q521 PolarHBondContact O-NE2 3.23Å; L516-Q521 HydrophobicContact CB-CB 4.3Å; L516-Q521 HydrophobicContact CD2-CB 4.37Å; L516-Q521 PolarHBondContact O-N 3.07Å; T519-Q521 VanDerWaalsContact C-N 3.31Å; T519-Q521 PolarHBondContact O-N 3.06Å; T519-Q521 PolarHBondContact OG1-NE2 2.86Å; Q521-E523 PolarHBondContact O-N 3.33Å; Q521-A524 HydrophobicContact CB-CB 4.33Å; Q521-A524 PolarHBondContact O-N 3.48Å; Q521-A525 WeakPolarHBondContact O-CB 3.3Å; Q521-A525 PolarHBondContact O-N 3.18Å
522	Y	95.4	Very high	93.4	Very high	1 Å²	1	6 Å²	6	0%	0.004	3%	0.026	C	C	.	.	H	α-helix	trans	-64.9	-40.3	-169.9	-52.8	-59.9	0	0	0	113.3	I251 R272 Q520 A525 I526 L546 M551	I251-Y522 HydrophobicContact CD1-CE1 4.2Å; R272-Y522 VanDerWaalsContact CZ-CD2 3.48Å; R272-Y522 VanDerWaalsContact CZ-CE2 3.48Å; Q520-Y522 HydrophobicContact CB-CE2 4.39Å; Y522-A525 WeakPolarHBondContact O-CB 3.29Å; Y522-A525 PolarHBondContact O-N 3.5Å; Y522-I526 WeakPolarHBondContact O-CB 3.4Å; Y522-I526 WeakPolarHBondContact O-CD1 3.44Å; Y522-I526 VanDerWaalsContact O-CG1 3.27Å; Y522-I526 WeakPolarHBondContact O-CG1 3.44Å; Y522-I526 PolarHBondContact O-N 3.02Å; Y522-L546 HydrophobicContact CD1-CD1 4.22Å; Y522-L546 HydrophobicContact CD2-CD1 4.44Å; Y522-L546 HydrophobicContact CG-CD1 3.83Å; Y522-M551 HydrophobicContact CE2-CE 4.03Å
523	E	95.1	Very high	93	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.009	4%	0.044	C	C	.	.	H	α-helix	trans	-64.3	-45.3	-177.7	-65.8	77.4	-167	0	0	111	R272 Q521 G527 L552 L553 R574 L576	R272-E523 IonicContact NH2-OE2 3.22Å; R272-E523 PolarHBondContact NH2-OE2 2.76Å; Q521-E523 PolarHBondContact O-N 3.33Å; E523-G527 PolarHBondContact O-N 2.91Å; E523-L552 HydrophobicContact CG-CD1 4.04Å; E523-L553 HydrophobicContact CG-CB 4.23Å; E523-L553 WeakPolarHBondContact OE1-CB 3.46Å; E523-L553 WeakPolarHBondContact OE1-CG 3.35Å; E523-L553 PolarHBondContact OE1-N 3.41Å; E523-R574 HydrophobicContact CB-CB 4.47Å; E523-R574 VanDerWaalsContact CG-O 3.26Å; E523-R574 WeakPolarHBondContact CG-O 3.33Å; E523-L576 HydrophobicContact CB-CB 3.92Å; E523-L576 HydrophobicContact CG-CB 3.86Å
524	A	93.2	Very high	92.6	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.017	8%	0.076	C	C	.	.	H	α-helix	trans	-64.7	-42.5	174.1	0	0	0	0	0	111.8	Y495 L516 Q521 G527 F528	Y495-A524 HydrophobicContact CD2-CB 4.06Å; Y495-A524 HydrophobicContact CE2-CB 3.68Å; L516-A524 HydrophobicContact CD1-CB 4.28Å; Q521-A524 HydrophobicContact CB-CB 4.33Å; Q521-A524 PolarHBondContact O-N 3.48Å; A524-G527 PolarHBondContact O-N 3.46Å; A524-F528 WeakPolarHBondContact O-CB 3.49Å; A524-F528 PolarHBondContact O-N 3.47Å
525	A	95	Very high	92.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-50.8	178.2	0	0	0	0	0	111.4	F513 L516 Q521 Y522 F528 L529	F513-A525 HydrophobicContact CD2-CB 3.65Å; F513-A525 WeakPolarHBondContact CD2-O 3.45Å; F513-A525 HydrophobicContact CE2-CB 3.72Å; F513-A525 HydrophobicContact CG-CB 4.48Å; L516-A525 HydrophobicContact CB-CB 3.62Å; L516-A525 HydrophobicContact CD1-CB 4.27Å; Q521-A525 WeakPolarHBondContact O-CB 3.3Å; Q521-A525 PolarHBondContact O-N 3.18Å; Y522-A525 WeakPolarHBondContact O-CB 3.29Å; Y522-A525 PolarHBondContact O-N 3.5Å; A525-F528 PolarHBondContact O-N 3.36Å; A525-L529 WeakPolarHBondContact O-CB 3.23Å; A525-L529 PolarHBondContact O-N 3.07Å
526	I	95.5	Very high	92.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-47.1	178.4	-69.8	163	0	0	0	110.5	F513 Y522 F528 L529 A530 A539 I542 A543 L546 L552 L576 L581	F513-I526 HydrophobicContact CE2-CG1 4.46Å; Y522-I526 WeakPolarHBondContact O-CB 3.4Å; Y522-I526 WeakPolarHBondContact O-CD1 3.44Å; Y522-I526 VanDerWaalsContact O-CG1 3.27Å; Y522-I526 WeakPolarHBondContact O-CG1 3.44Å; Y522-I526 PolarHBondContact O-N 3.02Å; I526-F528 VanDerWaalsContact C-N 3.27Å; I526-F528 PolarHBondContact O-N 2.65Å; I526-L529 PolarHBondContact O-N 2.9Å; I526-A530 VanDerWaalsContact O-CB 3.26Å; I526-A530 WeakPolarHBondContact O-CB 3.33Å; I526-A530 PolarHBondContact O-N 2.86Å; I526-A539 HydrophobicContact CG2-CB 4.23Å; I526-I542 HydrophobicContact CD1-CG2 4.28Å; I526-I542 HydrophobicContact CG1-CG2 4.35Å; I526-A543 HydrophobicContact CD1-CB 3.94Å; I526-A543 HydrophobicContact CG2-CB 3.99Å; I526-L546 HydrophobicContact CD1-CD1 3.84Å; I526-L552 HydrophobicContact CD1-CD1 4.14Å; I526-L576 HydrophobicContact CB-CD2 4.18Å; I526-L576 HydrophobicContact CD1-CD2 4.32Å; I526-L576 HydrophobicContact CG2-CD1 4.23Å; I526-L576 HydrophobicContact CG2-CD2 3.62Å; I526-L581 HydrophobicContact CG2-CD2 3.75Å
527	G	91.1	Very high	92	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-60.3	-37.2	179.1	0	0	0	0	0	112.6	E523 A524 R531	E523-G527 PolarHBondContact O-N 2.91Å; A524-G527 PolarHBondContact O-N 3.46Å; G527-R531 WeakPolarHBondContact O-CG 3.34Å
528	F	92.2	Very high	91.8	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.009	8%	0.079	C	C	.	.	H	α-helix	trans	-67.9	-50.3	173.3	176.2	-95.5	0	0	0	112	E500 A505 P509 F512 A524 A525 I526 A530 R531 F532	E500-F528 HydrophobicContact CG-CD2 4.36Å; E500-F528 HydrophobicContact CG-CE2 4.25Å; A505-F528 HydrophobicContact CB-CE1 4.32Å; A505-F528 HydrophobicContact CB-CE2 3.87Å; A505-F528 HydrophobicContact CB-CZ 3.48Å; A505-F528 VanDerWaalsContact CB-CZ 3.48Å; A505-F528 WeakPolarHBondContact O-CZ 3.49Å; P509-F528 HydrophobicContact CB-CE1 3.94Å; P509-F528 HydrophobicContact CB-CZ 4.49Å; F512-F528 HydrophobicContact CB-CE1 4.24Å; F512-F528 AromaticContact CD1-CD1 3.65Å; F512-F528 HydrophobicContact CD1-CD1 3.65Å; F512-F528 AromaticContact CD1-CD2 3.98Å; F512-F528 HydrophobicContact CD1-CD2 3.98Å; F512-F528 AromaticContact CD1-CE1 3.65Å; F512-F528 HydrophobicContact CD1-CE1 3.65Å; F512-F528 AromaticContact CD1-CE2 3.99Å; F512-F528 HydrophobicContact CD1-CE2 3.99Å; F512-F528 AromaticContact CD1-CG 3.83Å; F512-F528 HydrophobicContact CD1-CG 3.83Å; F512-F528 AromaticContact CD1-CZ 3.84Å; F512-F528 HydrophobicContact CD1-CZ 3.84Å; F512-F528 HydrophobicContact CE1-CD1 4.32Å; F512-F528 AromaticContact CE1-CD2 3.98Å; F512-F528 HydrophobicContact CE1-CD2 3.98Å; F512-F528 HydrophobicContact CE1-CE2 4.26Å; F512-F528 HydrophobicContact CE1-CG 4.03Å; F512-F528 HydrophobicContact CG-CE1 4.42Å; A524-F528 WeakPolarHBondContact O-CB 3.49Å; A524-F528 PolarHBondContact O-N 3.47Å; A525-F528 PolarHBondContact O-N 3.36Å; I526-F528 VanDerWaalsContact C-N 3.27Å; I526-F528 PolarHBondContact O-N 2.65Å; F528-A530 VanDerWaalsContact C-N 3.26Å; F528-A530 PolarHBondContact O-N 3.35Å; F528-R531 VanDerWaalsContact O-CB 3.3Å; F528-R531 WeakPolarHBondContact O-CB 3.39Å; F528-R531 WeakPolarHBondContact O-CG 3.16Å; F528-R531 PolarHBondContact O-N 2.83Å; F528-F532 HydrophobicContact CD1-CE2 4.31Å; F528-F532 AromaticContact CE1-CE2 3.67Å; F528-F532 HydrophobicContact CE1-CE2 3.67Å; F528-F532 HydrophobicContact CE1-CZ 4.32Å; F528-F532 HydrophobicContact CE2-CE2 4.19Å; F528-F532 AromaticContact CZ-CE2 3.59Å; F528-F532 HydrophobicContact CZ-CE2 3.59Å; F528-F532 AromaticContact CZ-CZ 3.89Å; F528-F532 HydrophobicContact CZ-CZ 3.89Å
529	L	92.2	Very high	91.7	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-62.1	-35	-178.4	-169.6	66.6	0	0	0	112.1	L510 F513 A525 I526 R531 F532 L535 H538 A539	L510-L529 HydrophobicContact CD2-CD1 4.09Å; F513-L529 HydrophobicContact CB-CD1 4.5Å; F513-L529 HydrophobicContact CD2-CB 3.75Å; F513-L529 HydrophobicContact CD2-CD1 4.48Å; F513-L529 HydrophobicContact CD2-CD2 3.74Å; F513-L529 HydrophobicContact CD2-CG 4.2Å; F513-L529 HydrophobicContact CE2-CB 4.17Å; F513-L529 HydrophobicContact CE2-CD2 3.72Å; F513-L529 HydrophobicContact CG-CD2 4.2Å; F513-L529 HydrophobicContact CZ-CD2 4.15Å; A525-L529 WeakPolarHBondContact O-CB 3.23Å; A525-L529 PolarHBondContact O-N 3.07Å; I526-L529 PolarHBondContact O-N 2.9Å; L529-R531 PolarHBondContact O-N 3.39Å; L529-F532 PolarHBondContact O-N 3.33Å; L529-L535 HydrophobicContact CD1-CB 3.66Å; L529-L535 HydrophobicContact CD1-CD1 3.65Å; L529-L535 HydrophobicContact CD1-CG 4.23Å; L529-L535 HydrophobicContact CG-CB 3.99Å; L529-H538 HydrophobicContact CD2-CB 4.34Å; L529-A539 HydrophobicContact CB-CB 3.94Å; L529-A539 HydrophobicContact CD2-CB 3.97Å; L529-A539 HydrophobicContact CG-CB 4Å
530	A	91.1	Very high	91.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.4	176.9	0	0	0	0	0	114	L151 I526 F528 F532 R536 A539 L581	L151-A530 HydrophobicContact CD2-CB 4.24Å; I526-A530 VanDerWaalsContact O-CB 3.26Å; I526-A530 WeakPolarHBondContact O-CB 3.33Å; I526-A530 PolarHBondContact O-N 2.86Å; F528-A530 VanDerWaalsContact C-N 3.26Å; F528-A530 PolarHBondContact O-N 3.35Å; A530-F532 PolarHBondContact O-N 2.85Å; A530-R536 HydrophobicContact CB-CG 4.42Å; A530-R536 PolarHBondContact O-NE 2.82Å; A530-R536 PolarHBondContact O-NH2 2.86Å; A530-R536 VanDerWaalsContact O-NH2 3.15Å; A530-A539 HydrophobicContact CB-CB 4.01Å; A530-L581 HydrophobicContact CB-CD1 3.5Å; A530-L581 VanDerWaalsContact CB-CD1 3.5Å
531	R	88.9	Confident	91.6	Very high	41 Å²	41	17.1 Å²	17.1	16%	0.155	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.9	175.2	-59.3	177	-169.6	164.9	6.9	112.2	L151 E500 G527 F528 L529	L151-R531 HydrophobicContact CD2-CG 4.43Å; E500-R531 IonicContact OE1-CZ 3.04Å; E500-R531 IonicContact OE1-NH1 2.66Å; E500-R531 PolarHBondContact OE1-NH1 3.42Å; E500-R531 IonicContact OE1-NH2 3.26Å; E500-R531 PolarHBondContact OE1-NH2 3.1Å; E500-R531 VanDerWaalsContact OE1-NH2 3.16Å; E500-R531 IonicContact OE2-NH1 2.62Å; E500-R531 PolarHBondContact OE2-NH1 3.01Å; G527-R531 WeakPolarHBondContact O-CG 3.34Å; F528-R531 VanDerWaalsContact O-CB 3.3Å; F528-R531 WeakPolarHBondContact O-CB 3.39Å; F528-R531 WeakPolarHBondContact O-CG 3.16Å; F528-R531 PolarHBondContact O-N 2.83Å; L529-R531 PolarHBondContact O-N 3.39Å
532	F	87.9	Confident	91.5	Very high	28 Å²	28	17 Å²	17	12%	0.123	8%	0.078	C	C	.	.	S	Bend	trans	-94.9	118.1	-179.5	-58.8	-93.5	0	0	0	110.6	W506 P509 F528 L529 A530 Q534 L535 R536	W506-F532 HydrophobicContact CD2-CZ 4.16Å; W506-F532 AromaticContact CE3-CE1 3.62Å; W506-F532 HydrophobicContact CE3-CE1 3.62Å; W506-F532 HydrophobicContact CE3-CE2 4.5Å; W506-F532 AromaticContact CE3-CZ 3.49Å; W506-F532 HydrophobicContact CE3-CZ 3.49Å; W506-F532 VanDerWaalsContact CE3-CZ 3.49Å; W506-F532 HydrophobicContact CZ3-CE1 4.05Å; W506-F532 AromaticContact CZ3-CZ 3.9Å; W506-F532 HydrophobicContact CZ3-CZ 3.9Å; P509-F532 HydrophobicContact CB-CD2 4.05Å; P509-F532 HydrophobicContact CB-CE1 4.22Å; P509-F532 HydrophobicContact CB-CE2 3.7Å; P509-F532 HydrophobicContact CB-CG 4.49Å; P509-F532 HydrophobicContact CB-CZ 3.79Å; P509-F532 HydrophobicContact CG-CE1 4.37Å; P509-F532 HydrophobicContact CG-CZ 4.41Å; F528-F532 HydrophobicContact CD1-CE2 4.31Å; F528-F532 AromaticContact CE1-CE2 3.67Å; F528-F532 HydrophobicContact CE1-CE2 3.67Å; F528-F532 HydrophobicContact CE1-CZ 4.32Å; F528-F532 HydrophobicContact CE2-CE2 4.19Å; F528-F532 AromaticContact CZ-CE2 3.59Å; F528-F532 HydrophobicContact CZ-CE2 3.59Å; F528-F532 AromaticContact CZ-CZ 3.89Å; F528-F532 HydrophobicContact CZ-CZ 3.89Å; L529-F532 PolarHBondContact O-N 3.33Å; A530-F532 PolarHBondContact O-N 2.85Å; F532-Q534 VanDerWaalsContact C-N 3.28Å; F532-Q534 PolarHBondContact O-N 3.04Å; F532-L535 HydrophobicContact CB-CB 4.19Å; F532-L535 HydrophobicContact CB-CD1 4.28Å; F532-L535 HydrophobicContact CB-CG 4.39Å; F532-L535 CarbonylContact O-C 3.49Å; F532-L535 PolarHBondContact O-N 2.96Å; F532-R536 PolarHBondContact O-N 2.77Å
533	E	85.6	Confident	91.4	Very high	80 Å²	80	17 Å²	17	37%	0.374	8%	0.078	S	C	.	.	H	α-helix	trans	-50.9	-46.1	-179.2	179.3	65.7	-144.5	0	0	112.8	L535 R536 K588	E533-L535 VanDerWaalsContact C-N 3.26Å; E533-L535 PolarHBondContact O-N 2.84Å; E533-R536 VanDerWaalsContact CD-NH1 3.28Å; E533-R536 PolarHBondContact O-N 3.23Å; E533-R536 IonicContact OE1-NH1 3.14Å; E533-R536 IonicContact OE2-CZ 2.96Å; E533-R536 IonicContact OE2-NH1 2.93Å; E533-R536 PolarHBondContact OE2-NH1 3.25Å; E533-R536 IonicContact OE2-NH2 3.48Å; E533-K588 WeakPolarHBondContact OE1-CD 3.5Å; E533-K588 WeakPolarHBondContact OE1-CE 3.22Å; E533-K588 IonicContact OE1-NZ 2.78Å; E533-K588 PolarHBondContact OE1-NZ 3.48Å
534	Q	85.9	Confident	91.2	Very high	147 Å²	147	16.9 Å²	16.9	69%	0.687	8%	0.078	S	C	*	.	H	α-helix	trans	-70.3	-23.5	-175.3	-56.6	79	10.3	0	0	112.8	F532	F532-Q534 VanDerWaalsContact C-N 3.28Å; F532-Q534 PolarHBondContact O-N 3.04Å
535	L	89	Confident	91	Very high	22 Å²	22	16.8 Å²	16.8	12%	0.115	8%	0.077	C	C	.	.	H	α-helix	trans	-107.7	-7.5	-176.6	-57.4	173.2	0	0	0	112.6	I241 P509 L510 L529 F532 E533 C537 H538 A539	I241-L535 HydrophobicContact CD1-CD2 4.45Å; P509-L535 HydrophobicContact CB-CD1 4.12Å; P509-L535 HydrophobicContact CG-CD1 3.73Å; L510-L535 HydrophobicContact CD2-CD1 3.83Å; L510-L535 HydrophobicContact CD2-CD2 4.04Å; L510-L535 HydrophobicContact CG-CD1 4.38Å; L529-L535 HydrophobicContact CD1-CB 3.66Å; L529-L535 HydrophobicContact CD1-CD1 3.65Å; L529-L535 HydrophobicContact CD1-CG 4.23Å; L529-L535 HydrophobicContact CG-CB 3.99Å; F532-L535 HydrophobicContact CB-CB 4.19Å; F532-L535 HydrophobicContact CB-CD1 4.28Å; F532-L535 HydrophobicContact CB-CG 4.39Å; F532-L535 CarbonylContact O-C 3.49Å; F532-L535 PolarHBondContact O-N 2.96Å; E533-L535 VanDerWaalsContact C-N 3.26Å; E533-L535 PolarHBondContact O-N 2.84Å; L535-C537 VanDerWaalsContact C-N 3.26Å; L535-C537 PolarHBondContact O-N 2.7Å; L535-H538 WeakPolarHBondContact O-CB 3.27Å; L535-H538 PolarHBondContact O-N 3.22Å; L535-A539 PolarHBondContact O-N 3.45Å; L535-A539 VanDerWaalsContact O-N 3.09Å
536	R	91.1	Very high	90.8	Very high	16 Å²	16	16.9 Å²	16.9	6%	0.06	8%	0.077	C	C	.	.	H	α-helix	trans	-59.2	-37.4	-178.2	-172.6	173.3	-56.8	109.6	3.9	112.5	L151 A530 F532 E533 H538 A539 V540 Y585	L151-R536 VanDerWaalsContact CD1-NH2 3.31Å; A530-R536 HydrophobicContact CB-CG 4.42Å; A530-R536 PolarHBondContact O-NE 2.82Å; A530-R536 PolarHBondContact O-NH2 2.86Å; A530-R536 VanDerWaalsContact O-NH2 3.15Å; F532-R536 PolarHBondContact O-N 2.77Å; E533-R536 VanDerWaalsContact CD-NH1 3.28Å; E533-R536 PolarHBondContact O-N 3.23Å; E533-R536 IonicContact OE1-NH1 3.14Å; E533-R536 IonicContact OE2-CZ 2.96Å; E533-R536 IonicContact OE2-NH1 2.93Å; E533-R536 PolarHBondContact OE2-NH1 3.25Å; E533-R536 IonicContact OE2-NH2 3.48Å; R536-H538 VanDerWaalsContact C-N 3.29Å; R536-H538 PolarHBondContact O-N 3.16Å; R536-A539 WeakPolarHBondContact O-CB 3.4Å; R536-A539 PolarHBondContact O-N 2.91Å; R536-V540 HydrophobicContact CG-CG2 4.12Å; R536-V540 VanDerWaalsContact O-CG2 3.25Å; R536-V540 WeakPolarHBondContact O-CG2 3.45Å; R536-V540 PolarHBondContact O-N 3.29Å; R536-Y585 HydrophobicContact CG-CD2 4.14Å
537	C	90.6	Very high	90.5	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.027	8%	0.083	C	C	.	.	H	α-helix	trans	-59.1	-42.2	175.4	69.8	0	0	0	0	111	E182 Y185 L535 H541 Y585	E182-C537 HydrophobicContact CG-CB 3.56Å; Y185-C537 HydrophobicContact CD2-CB 4.38Å; L535-C537 VanDerWaalsContact C-N 3.26Å; L535-C537 PolarHBondContact O-N 2.7Å; C537-H541 PolarHBondContact O-N 3Å; C537-H541 VanDerWaalsContact O-N 3.14Å; C537-H541 PolarHBondContact O-ND1 3.49Å; C537-Y585 HydrophobicContact CB-CE2 4.06Å
538	H	90.8	Very high	90.3	Very high	6 Å²	6	20 Å²	20	3%	0.028	9%	0.092	C	C	.	.	H	α-helix	trans	-63.6	-45.3	175.1	-56.3	-53	0	0	0	111.5	Y185 I241 L529 L535 R536 V540 H541 I542	Y185-H538 AromaticContact CE2-CE1 3.57Å; Y185-H538 AromaticContact CE2-ND1 3.28Å; Y185-H538 VanDerWaalsContact CE2-ND1 3.28Å; Y185-H538 WeakPolarHBondContact CE2-ND1 3.33Å; Y185-H538 AromaticContact CZ-CE1 3.93Å; Y185-H538 AromaticContact CZ-ND1 3.41Å; Y185-H538 PolarHBondContact OH-CE1 3.17Å; Y185-H538 PolarHBondContact OH-ND1 2.98Å; I241-H538 WeakPolarHBondContact CD1-NE2 3.24Å; L529-H538 HydrophobicContact CD2-CB 4.34Å; L535-H538 WeakPolarHBondContact O-CB 3.27Å; L535-H538 PolarHBondContact O-N 3.22Å; R536-H538 VanDerWaalsContact C-N 3.29Å; R536-H538 PolarHBondContact O-N 3.16Å; H538-V540 PolarHBondContact O-N 3.09Å; H538-H541 PolarHBondContact O-N 2.84Å; H538-I542 WeakPolarHBondContact O-CB 3.37Å; H538-I542 WeakPolarHBondContact O-CG1 3.47Å; H538-I542 PolarHBondContact O-N 2.65Å
539	A	92.7	Very high	89.9	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.1	-48.5	178.6	0	0	0	0	0	112.4	I526 L529 A530 L535 R536 I542 A543	I526-A539 HydrophobicContact CG2-CB 4.23Å; L529-A539 HydrophobicContact CB-CB 3.94Å; L529-A539 HydrophobicContact CD2-CB 3.97Å; L529-A539 HydrophobicContact CG-CB 4Å; A530-A539 HydrophobicContact CB-CB 4.01Å; L535-A539 PolarHBondContact O-N 3.45Å; L535-A539 VanDerWaalsContact O-N 3.09Å; R536-A539 WeakPolarHBondContact O-CB 3.4Å; R536-A539 PolarHBondContact O-N 2.91Å; A539-I542 PolarHBondContact O-N 2.98Å; A539-A543 WeakPolarHBondContact O-CB 3.23Å; A539-A543 PolarHBondContact O-N 2.91Å
540	V	93.6	Very high	89.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-47.5	179.5	173.1	0	0	0	0	110.9	R536 H538 A543 L544 L581 Y585 Y600	R536-V540 HydrophobicContact CG-CG2 4.12Å; R536-V540 VanDerWaalsContact O-CG2 3.25Å; R536-V540 WeakPolarHBondContact O-CG2 3.45Å; R536-V540 PolarHBondContact O-N 3.29Å; H538-V540 PolarHBondContact O-N 3.09Å; V540-A543 WeakPolarHBondContact O-CB 3.4Å; V540-A543 PolarHBondContact O-N 3.37Å; V540-L544 HydrophobicContact CG1-CD1 4.44Å; V540-L544 WeakPolarHBondContact O-CG 3.48Å; V540-L544 PolarHBondContact O-N 2.88Å; V540-L581 HydrophobicContact CG2-CD1 4.06Å; V540-L581 HydrophobicContact CG2-CD2 4.36Å; V540-L581 HydrophobicContact CG2-CG 3.97Å; V540-Y585 HydrophobicContact CB-CD1 4.42Å; V540-Y585 HydrophobicContact CB-CG 4.45Å; V540-Y585 HydrophobicContact CG1-CD1 3.95Å; V540-Y585 HydrophobicContact CG1-CE1 4.35Å; V540-Y585 HydrophobicContact CG1-CG 4.39Å; V540-Y585 HydrophobicContact CG2-CD1 4.13Å; V540-Y585 HydrophobicContact CG2-CD2 4.08Å; V540-Y585 HydrophobicContact CG2-CG 3.72Å; V540-Y600 HydrophobicContact CG1-CD1 4.44Å; V540-Y600 HydrophobicContact CG1-CE1 4.32Å
541	H	92.4	Very high	89.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.5	-34.2	-177.4	-67.9	95.6	0	0	0	112.8	Y185 M217 W245 C537 H538 A543 L544 V545 Y600	Y185-H541 WeakPolarHBondContact CB-CE1 3.47Å; Y185-H541 WeakPolarHBondContact CB-NE2 3.2Å; Y185-H541 HydrophobicContact CD1-CB 4.15Å; Y185-H541 AromaticContact CD1-CG 3.84Å; Y185-H541 AromaticContact CD2-ND1 3.74Å; Y185-H541 HydrophobicContact CE1-CB 4.32Å; Y185-H541 HydrophobicContact CG-CB 4.48Å; Y185-H541 AromaticContact CG-CE1 3.81Å; Y185-H541 AromaticContact CG-CG 3.77Å; Y185-H541 AromaticContact CG-ND1 3.52Å; M217-H541 VanDerWaalsContact CE-CD2 3.43Å; M217-H541 WeakPolarHBondContact CE-CD2 3.37Å; M217-H541 HydrophobicContact SD-CB 4.14Å; W245-H541 HydrophobicContact CH2-CB 4.35Å; W245-H541 HydrophobicContact CZ2-CB 4.38Å; C537-H541 PolarHBondContact O-N 3Å; C537-H541 VanDerWaalsContact O-N 3.14Å; C537-H541 PolarHBondContact O-ND1 3.49Å; H538-H541 PolarHBondContact O-N 2.84Å; H541-A543 VanDerWaalsContact C-N 3.33Å; H541-L544 PolarHBondContact O-N 3.39Å; H541-V545 WeakPolarHBondContact O-CB 3.36Å; H541-V545 VanDerWaalsContact O-CG2 3.28Å; H541-V545 WeakPolarHBondContact O-CG2 3.49Å; H541-V545 PolarHBondContact O-N 3.37Å; H541-Y600 AromaticContact CE1-CE1 3.96Å; H541-Y600 PolarHBondContact CE1-OH 2.76Å; H541-Y600 VanDerWaalsContact CE1-OH 3.27Å; H541-Y600 AromaticContact NE2-CE1 3.41Å; H541-Y600 WeakPolarHBondContact NE2-CE1 3.41Å; H541-Y600 AromaticContact NE2-CZ 3.64Å; H541-Y600 PolarHBondContact NE2-OH 3.47Å
542	I	92.1	Very high	89.7	Confident	3 Å²	3	22 Å²	22	2%	0.015	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-40.9	170.5	-67.2	168.3	0	0	0	110.1	W245 M248 F513 I526 H538 A539 L544 V545 L546	W245-I542 HydrophobicContact CH2-CG1 3.92Å; W245-I542 HydrophobicContact CZ2-CG1 3.96Å; W245-I542 HydrophobicContact CZ3-CG1 4.4Å; M248-I542 HydrophobicContact SD-CG2 4.16Å; F513-I542 HydrophobicContact CE1-CD1 4.23Å; F513-I542 HydrophobicContact CZ-CD1 3.78Å; I526-I542 HydrophobicContact CD1-CG2 4.28Å; I526-I542 HydrophobicContact CG1-CG2 4.35Å; H538-I542 WeakPolarHBondContact O-CB 3.37Å; H538-I542 WeakPolarHBondContact O-CG1 3.47Å; H538-I542 PolarHBondContact O-N 2.65Å; A539-I542 PolarHBondContact O-N 2.98Å; I542-L544 PolarHBondContact O-N 2.96Å; I542-V545 PolarHBondContact O-N 3.48Å; I542-L546 HydrophobicContact CG2-CD1 4.28Å; I542-L546 HydrophobicContact CG2-CG 4.41Å; I542-L546 WeakPolarHBondContact O-CG 3.2Å; I542-L546 PolarHBondContact O-N 2.83Å
543	A	93.4	Very high	89.9	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.4	-46	175.3	0	0	0	0	0	112	I526 A539 V540 H541 V545 L546 R547 L552 L576 L578 L581	I526-A543 HydrophobicContact CD1-CB 3.94Å; I526-A543 HydrophobicContact CG2-CB 3.99Å; A539-A543 WeakPolarHBondContact O-CB 3.23Å; A539-A543 PolarHBondContact O-N 2.91Å; V540-A543 WeakPolarHBondContact O-CB 3.4Å; V540-A543 PolarHBondContact O-N 3.37Å; H541-A543 VanDerWaalsContact C-N 3.33Å; A543-V545 VanDerWaalsContact C-N 3.29Å; A543-V545 PolarHBondContact O-N 2.82Å; A543-L546 PolarHBondContact O-N 2.77Å; A543-R547 WeakPolarHBondContact O-CB 3.39Å; A543-R547 PolarHBondContact O-N 3.37Å; A543-L552 HydrophobicContact CB-CD2 4.42Å; A543-L576 HydrophobicContact CB-CD2 4.04Å; A543-L578 HydrophobicContact CB-CD1 3.92Å; A543-L581 HydrophobicContact CB-CD2 3.97Å
544	L	91.2	Very high	90.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.1	-39.3	175.8	-68.5	178.3	0	0	0	111.8	L189 L213 V540 H541 I542 R547 D548 I582 Y600 M603	L189-L544 HydrophobicContact CD1-CD1 4.43Å; L189-L544 HydrophobicContact CD2-CD1 4.35Å; L213-L544 HydrophobicContact CD2-CB 3.52Å; V540-L544 HydrophobicContact CG1-CD1 4.44Å; V540-L544 WeakPolarHBondContact O-CG 3.48Å; V540-L544 PolarHBondContact O-N 2.88Å; H541-L544 PolarHBondContact O-N 3.39Å; I542-L544 PolarHBondContact O-N 2.96Å; L544-R547 PolarHBondContact O-N 3.34Å; L544-D548 WeakPolarHBondContact O-CB 3.49Å; L544-D548 PolarHBondContact O-N 2.97Å; L544-I582 HydrophobicContact CD2-CD1 3.85Å; L544-Y600 HydrophobicContact CD1-CD1 4.15Å; L544-Y600 HydrophobicContact CD1-CE1 4.23Å; L544-M603 HydrophobicContact CD2-CB 3.78Å; L544-M603 HydrophobicContact CD2-CE 4.04Å; L544-M603 HydrophobicContact CD2-CG 4.01Å
545	V	89.1	Confident	90.1	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-65.5	-46.6	176.4	164.3	0	0	0	0	111.4	L213 L214 M217 W245 H541 I542 A543 R547 D548 L549	L213-V545 HydrophobicContact CB-CG2 4.14Å; L213-V545 HydrophobicContact CD2-CG2 4.04Å; L213-V545 HydrophobicContact CG-CG2 3.89Å; L214-V545 HydrophobicContact CB-CG1 3.73Å; L214-V545 HydrophobicContact CB-CG2 4.25Å; L214-V545 HydrophobicContact CD1-CG1 4.05Å; L214-V545 HydrophobicContact CD2-CG1 4.43Å; L214-V545 HydrophobicContact CG-CG1 4.27Å; M217-V545 HydrophobicContact CB-CG2 4.45Å; M217-V545 HydrophobicContact CG-CG2 4.07Å; W245-V545 HydrophobicContact CH2-CG2 4.21Å; W245-V545 HydrophobicContact CZ3-CG2 4.07Å; H541-V545 WeakPolarHBondContact O-CB 3.36Å; H541-V545 VanDerWaalsContact O-CG2 3.28Å; H541-V545 WeakPolarHBondContact O-CG2 3.49Å; H541-V545 PolarHBondContact O-N 3.37Å; I542-V545 PolarHBondContact O-N 3.48Å; A543-V545 VanDerWaalsContact C-N 3.29Å; A543-V545 PolarHBondContact O-N 2.82Å; V545-R547 PolarHBondContact O-N 3.45Å; V545-D548 PolarHBondContact O-N 2.62Å; V545-L549 HydrophobicContact CG1-CD1 4.13Å; V545-L549 WeakPolarHBondContact O-CG 3.31Å; V545-L549 PolarHBondContact O-N 2.94Å
546	L	90.4	Very high	89.6	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-65.9	-29.9	177.3	-69.1	-179.2	0	0	0	112.2	M248 Y522 I526 I542 A543 L549 H550 M551 L552	M248-L546 HydrophobicContact SD-CD2 4.33Å; Y522-L546 HydrophobicContact CD1-CD1 4.22Å; Y522-L546 HydrophobicContact CD2-CD1 4.44Å; Y522-L546 HydrophobicContact CG-CD1 3.83Å; I526-L546 HydrophobicContact CD1-CD1 3.84Å; I542-L546 HydrophobicContact CG2-CD1 4.28Å; I542-L546 HydrophobicContact CG2-CG 4.41Å; I542-L546 WeakPolarHBondContact O-CG 3.2Å; I542-L546 PolarHBondContact O-N 2.83Å; A543-L546 PolarHBondContact O-N 2.77Å; L546-L549 PolarHBondContact O-N 2.96Å; L546-H550 PolarHBondContact O-N 3.01Å; L546-M551 HydrophobicContact CD2-CB 4.46Å; L546-M551 PolarHBondContact O-N 2.93Å; L546-L552 HydrophobicContact CB-CB 4.05Å; L546-L552 PolarHBondContact O-N 3.25Å
547	R	89.4	Confident	88.8	Confident	32 Å²	32	23.2 Å²	23.2	12%	0.121	11%	0.11	C	C	.	.	H	α-helix	trans	-67.5	-45.1	170.8	-179.6	169.6	-176.5	-80.9	-0.5	111.9	A543 L544 V545 L549 H550 L552 L578 M603 D606	A543-R547 WeakPolarHBondContact O-CB 3.39Å; A543-R547 PolarHBondContact O-N 3.37Å; L544-R547 PolarHBondContact O-N 3.34Å; V545-R547 PolarHBondContact O-N 3.45Å; R547-L549 PolarHBondContact O-N 2.66Å; R547-H550 PolarHBondContact O-N 2.9Å; R547-L552 HydrophobicContact CB-CB 4.43Å; R547-L552 HydrophobicContact CB-CD2 4.17Å; R547-L578 HydrophobicContact CG-CD2 4.43Å; R547-M603 PolarHBondContact NH1-O 3.36Å; R547-M603 PolarHBondContact NH2-O 2.79Å; R547-D606 IonicContact CZ-OD2 2.73Å; R547-D606 IonicContact NH1-OD2 3.38Å; R547-D606 PolarHBondContact NH1-OD2 2.79Å; R547-D606 IonicContact NH2-OD2 3.04Å; R547-D606 PolarHBondContact NH2-OD2 3.04Å
548	D	85.7	Confident	87.9	Confident	36 Å²	36	25.9 Å²	25.9	19%	0.193	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-31.5	175.4	-167.9	59.5	0	0	0	111.7	Y192 R196 L213 L544 V545 H550	Y192-D548 PolarHBondContact OH-OD1 3.26Å; R196-D548 IonicContact NH1-OD1 2.64Å; L213-D548 HydrophobicContact CB-CB 4.19Å; L213-D548 PolarHBondContact N-OD2 3.24Å; L544-D548 WeakPolarHBondContact O-CB 3.49Å; L544-D548 PolarHBondContact O-N 2.97Å; V545-D548 PolarHBondContact O-N 2.62Å; D548-H550 VanDerWaalsContact C-N 3.3Å
549	L	84.6	Confident	87.1	Confident	12 Å²	12	30.4 Å²	30.4	6%	0.063	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	0.3	173	-65.3	175.7	0	0	0	114.1	V545 L546 R547 M551	V545-L549 HydrophobicContact CG1-CD1 4.13Å; V545-L549 WeakPolarHBondContact O-CG 3.31Å; V545-L549 PolarHBondContact O-N 2.94Å; L546-L549 PolarHBondContact O-N 2.96Å; R547-L549 PolarHBondContact O-N 2.66Å; L549-M551 HydrophobicContact CB-CG 4.2Å; L549-M551 HydrophobicContact CB-SD 4.35Å; L549-M551 PolarHBondContact O-N 3.15Å
550	H	88	Confident	86.3	Confident	66 Å²	66	31.1 Å²	31.1	31%	0.306	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	36.7	-175.1	-57.6	-77.5	0	0	0	113.9	L263 N266 P268 L546 R547 D548	L263-H550 PolarHBondContact O-CD2 3.02Å; L263-H550 VanDerWaalsContact O-CD2 3.22Å; N266-H550 PolarHBondContact OD1-ND1 3.31Å; P268-H550 WeakPolarHBondContact CA-O 3.31Å; P268-H550 WeakPolarHBondContact CB-O 3.31Å; L546-H550 PolarHBondContact O-N 3.01Å; R547-H550 PolarHBondContact O-N 2.9Å; D548-H550 VanDerWaalsContact C-N 3.3Å
551	M	88.3	Confident	85.7	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.157	C	C	.	.			trans	-111.6	-13.4	179.1	-69.2	-177.3	67.4	0	0	113.9	I251 M255 L263 L281 Y522 L546 L549	I251-M551 HydrophobicContact CG2-CE 4.06Å; I251-M551 HydrophobicContact CG2-SD 4.16Å; M255-M551 HydrophobicContact CG-CE 4.36Å; M255-M551 HydrophobicContact CG-SD 4.04Å; L263-M551 HydrophobicContact CD2-CG 4.46Å; L281-M551 HydrophobicContact CD1-CE 3.93Å; L281-M551 HydrophobicContact CD2-CE 3.88Å; Y522-M551 HydrophobicContact CE2-CE 4.03Å; L546-M551 HydrophobicContact CD2-CB 4.46Å; L546-M551 PolarHBondContact O-N 2.93Å; L549-M551 HydrophobicContact CB-CG 4.2Å; L549-M551 HydrophobicContact CB-SD 4.35Å; L549-M551 PolarHBondContact O-N 3.15Å
552	L	92.1	Very high	85.4	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.031	16%	0.158	C	C	.	.			trans	-83.4	128	-179	-173.5	70.8	0	0	0	111.3	E523 I526 A543 L546 R547 L554 L576 L578	E523-L552 HydrophobicContact CG-CD1 4.04Å; I526-L552 HydrophobicContact CD1-CD1 4.14Å; A543-L552 HydrophobicContact CB-CD2 4.42Å; L546-L552 HydrophobicContact CB-CB 4.05Å; L546-L552 PolarHBondContact O-N 3.25Å; R547-L552 HydrophobicContact CB-CB 4.43Å; R547-L552 HydrophobicContact CB-CD2 4.17Å; L552-L554 HydrophobicContact CD2-CD2 3.99Å; L552-L554 HydrophobicContact CG-CD2 4.38Å; L552-L576 HydrophobicContact CD1-CB 4.19Å; L552-L576 HydrophobicContact CD1-CD2 3.87Å; L552-L576 HydrophobicContact CD2-CD2 4.18Å; L552-L578 HydrophobicContact CD2-CD1 4.49Å; L552-L578 HydrophobicContact CD2-CD2 4.34Å
553	L	91.7	Very high	85.2	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.167	C	C	.	.			trans	-87	123.3	176.7	-57.7	170.1	0	0	0	111	P268 L269 E523 F573 R575 L576	P268-L553 HydrophobicContact CB-CD2 3.88Å; P268-L553 HydrophobicContact CG-CD2 4.1Å; L269-L553 HydrophobicContact CB-CD2 3.91Å; L269-L553 HydrophobicContact CD1-CD2 4.21Å; E523-L553 HydrophobicContact CG-CB 4.23Å; E523-L553 WeakPolarHBondContact OE1-CB 3.46Å; E523-L553 WeakPolarHBondContact OE1-CG 3.35Å; E523-L553 PolarHBondContact OE1-N 3.41Å; L553-F573 HydrophobicContact CD1-CD1 3.58Å; L553-F573 HydrophobicContact CD1-CE1 4.27Å; L553-R575 HydrophobicContact CB-CB 4.35Å; L553-R575 HydrophobicContact CB-CG 4.02Å; L553-R575 CarbonylContact O-C 3.56Å; L553-R575 WeakPolarHBondContact O-CA 3.22Å; L553-L576 PolarHBondContact O-N 3.11Å
554	L	90.5	Very high	84.9	Confident	52 Å²	52	35.5 Å²	35.5	27%	0.272	18%	0.177	S	C	.	.			trans	-105.7	139.7	-180	-60.7	174	0	0	0	110.8	L552 R575 L576 L578 I607	L552-L554 HydrophobicContact CD2-CD2 3.99Å; L552-L554 HydrophobicContact CG-CD2 4.38Å; L554-R575 VanDerWaalsContact O-CD 3.25Å; L554-R575 WeakPolarHBondContact O-CD 3.34Å; L554-R575 PolarHBondContact O-NH1 3.33Å; L554-L576 WeakPolarHBondContact CD2-O 3.42Å; L554-L578 HydrophobicContact CD2-CB 3.56Å; L554-L578 HydrophobicContact CD2-CD2 4.43Å; L554-I607 HydrophobicContact CD1-CD1 4.28Å
555	P	85.9	Confident	84.7	Confident	26 Å²	26	41.1 Å²	41.1	17%	0.169	20%	0.198	C	C	.	.			trans	-69.3	159.5	172	31.3	-35.1	0	0	0	110.9	R575 L576 N577	P555-R575 HydrophobicContact CB-CB 4.44Å; P555-L576 VanDerWaalsContact CD-C 3.46Å; P555-L576 WeakPolarHBondContact CD-O 3.27Å; P555-N577 HydrophobicContact CG-CB 3.93Å
556	N	78.1	Confident	84.4	Confident	101 Å²	101	43.2 Å²	43.2	54%	0.54	21%	0.209	S	C	.	.	S	Bend	trans	-77.5	-28.3	178.2	-60.4	-8	0	0	0	112.1	R575 T611	N556-R575 PolarHBondContact OD1-NH1 2.84Å; N556-T611 PolarHBondContact O-OG1 3.12Å
557	W	73.3	Confident	84	Confident	136 Å²	136	49.1 Å²	49.1	52%	0.515	24%	0.241	S	C	.	.			trans	-110.5	133.7	-173.7	-50.2	104.1	0	0	0	112.1	H559 S560 T611	W557-H559 PolarHBondContact O-N 2.98Å; W557-S560 WeakPolarHBondContact O-CB 3.33Å; W557-S560 PolarHBondContact O-N 3.42Å; W557-S560 PolarHBondContact O-OG 3.24Å; W557-T611 VanDerWaalsContact CH2-O 3.23Å; W557-T611 WeakPolarHBondContact CH2-O 3.5Å; W557-T611 WeakPolarHBondContact CZ3-O 3.28Å
558	L	73	Confident	83.6	Confident	60 Å²	60	57.7 Å²	57.7	31%	0.314	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-30	-179.6	-63.9	174.2	0	0	0	113.6	S560 N577 A579 I607 L642	L558-S560 PolarHBondContact O-N 2.97Å; L558-N577 PolarHBondContact O-ND2 2.9Å; L558-A579 HydrophobicContact CD2-CB 4.02Å; L558-I607 HydrophobicContact CD2-CG2 4.45Å; L558-L642 HydrophobicContact CD1-CD1 3.94Å; L558-L642 HydrophobicContact CD2-CD1 4.42Å; L558-L642 HydrophobicContact CD2-CD2 3.89Å
559	H	73.2	Confident	83.6	Confident	101 Å²	101	56.6 Å²	56.6	47%	0.468	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-2.5	177.2	-89.5	62.6	0	0	0	114.1	S142 W557	S142-H559 VanDerWaalsContact CB-O 3.3Å; S142-H559 WeakPolarHBondContact CB-O 3.25Å; S142-H559 PolarHBondContact OG-O 3.19Å; W557-H559 PolarHBondContact O-N 2.98Å
560	S	76.7	Confident	83.6	Confident	16 Å²	16	58.6 Å²	58.6	11%	0.112	28%	0.282	C	S	.	.	S	Bend	trans	-58.5	150.4	176.7	-60	0	0	0	0	112.2	W557 L558 N577	W557-S560 WeakPolarHBondContact O-CB 3.33Å; W557-S560 PolarHBondContact O-N 3.42Å; W557-S560 PolarHBondContact O-OG 3.24Å; L558-S560 PolarHBondContact O-N 2.97Å; S560-N577 PolarHBondContact O-ND2 2.8Å
561	P	81.4	Confident	83.4	Confident	21 Å²	21	59.6 Å²	59.6	14%	0.136	29%	0.293	C	S	.	.			trans	-60.6	167.2	172.9	18	-25.1	0	0	0	111.3	S142 V563 V564 N577	S142-P561 WeakPolarHBondContact OG-CA 3.23Å; S142-P561 VanDerWaalsContact OG-CD 3.24Å; S142-P561 WeakPolarHBondContact OG-CD 3.38Å; P561-V563 VanDerWaalsContact C-N 3.27Å; P561-V563 PolarHBondContact O-N 3.39Å; P561-V564 HydrophobicContact CB-CG2 4.45Å; P561-V564 HydrophobicContact CG-CG2 3.63Å; P561-V564 WeakPolarHBondContact O-CG2 3.41Å; P561-N577 WeakPolarHBondContact O-CB 3.43Å
562	L	85.5	Confident	83.1	Confident	6 Å²	6	60 Å²	60	3%	0.031	30%	0.297	C	S	.	.	S	Bend	trans	-56.7	-42.2	-175.4	-179.5	62.3	0	0	0	112.4	L151 L576 N577 L581	L151-L562 HydrophobicContact CD2-CD2 3.58Å; L562-L576 HydrophobicContact CD1-CD1 3.96Å; L562-L576 HydrophobicContact CG-CD1 4.16Å; L562-L576 WeakPolarHBondContact O-CA 3.24Å; L562-N577 PolarHBondContact O-N 3.22Å; L562-L581 HydrophobicContact CD1-CB 3.87Å; L562-L581 HydrophobicContact CD1-CD1 4.43Å
563	V	88.5	Confident	82.9	Confident	32 Å²	32	60 Å²	60	19%	0.194	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.3	175.5	-178.6	0	0	0	0	109.1	P561 R574 R575 L576	P561-V563 VanDerWaalsContact C-N 3.27Å; P561-V563 PolarHBondContact O-N 3.39Å; V563-R574 HydrophobicContact CG1-CB 3.98Å; V563-R574 HydrophobicContact CG1-CG 4.48Å; V563-R575 WeakPolarHBondContact CA-O 3.48Å; V563-L576 HydrophobicContact CG2-CD1 4.17Å
564	V	87.2	Confident	82.9	Confident	35 Å²	35	61.3 Å²	61.3	21%	0.212	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.3	-174.7	-175.8	0	0	0	0	110.6	P561 R574 R575	P561-V564 HydrophobicContact CB-CG2 4.45Å; P561-V564 HydrophobicContact CG-CG2 3.63Å; P561-V564 WeakPolarHBondContact O-CG2 3.41Å; V564-R574 CarbonylContact O-C 3.58Å; V564-R574 VanDerWaalsContact O-CA 3.27Å; V564-R574 WeakPolarHBondContact O-CA 3.44Å; V564-R574 WeakPolarHBondContact O-CB 2.98Å; V564-R575 PolarHBondContact N-O 3.31Å; V564-R575 PolarHBondContact O-N 2.89Å
565	R	85.6	Confident	83.1	Confident	119 Å²	119	60.5 Å²	60.5	45%	0.449	30%	0.295	S	S	.	.			trans	-101.6	127.7	165.7	-178.9	176.6	176.9	-86.2	-5.4	108.4	D567	R565-D567 IonicContact CZ-OD1 3.5Å; R565-D567 IonicContact NH1-OD1 3.21Å; R565-D567 PolarHBondContact NH1-OD1 2.91Å
566	N	83.9	Confident	83.4	Confident	44 Å²	44	59.3 Å²	59.3	24%	0.235	29%	0.287	C	S	.	.			trans	-104	134.6	173.4	-176	14.9	0	0	0	108.7	Y568 D569 R575	N566-Y568 VanDerWaalsContact C-N 3.28Å; N566-Y568 PolarHBondContact O-N 3.01Å; N566-Y568 WeakPolarHBondContact OD1-CD2 3.44Å; N566-D569 HydrophobicContact CB-CB 4.39Å; N566-D569 PolarHBondContact ND2-OD1 3.16Å; N566-D569 WeakPolarHBondContact O-CB 3.27Å; N566-D569 PolarHBondContact O-N 3.38Å; N566-R575 PolarHBondContact ND2-NH2 2.94Å
567	D	80.5	Confident	84	Confident	125 Å²	125	54.7 Å²	54.7	67%	0.668	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.4	-175	-69.3	-41.5	0	0	0	113.4	R565 D569	R565-D567 IonicContact CZ-OD1 3.5Å; R565-D567 IonicContact NH1-OD1 3.21Å; R565-D567 PolarHBondContact NH1-OD1 2.91Å; D567-D569 VanDerWaalsContact C-N 3.28Å
568	Y	81.4	Confident	84.8	Confident	213 Å²	213	48.3 Å²	48.3	84%	0.835	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.9	173.4	-59.4	-74.2	0	0	0	113.5	N566	N566-Y568 VanDerWaalsContact C-N 3.28Å; N566-Y568 PolarHBondContact O-N 3.01Å; N566-Y568 WeakPolarHBondContact OD1-CD2 3.44Å
569	D	86.7	Confident	85.5	Confident	13 Å²	13	45.7 Å²	45.7	7%	0.07	23%	0.226	C	C	.	.	S	Bend	trans	-82.9	154	179.4	-67.4	-9.3	0	0	0	110.8	N566 D567 F573 R575	N566-D569 HydrophobicContact CB-CB 4.39Å; N566-D569 PolarHBondContact ND2-OD1 3.16Å; N566-D569 WeakPolarHBondContact O-CB 3.27Å; N566-D569 PolarHBondContact O-N 3.38Å; D567-D569 VanDerWaalsContact C-N 3.28Å; D569-F573 HydrophobicContact CB-CB 4.01Å; D569-R575 IonicContact OD1-CZ 2.65Å; D569-R575 IonicContact OD1-NE 2.9Å; D569-R575 IonicContact OD1-NH2 3.03Å; D569-R575 PolarHBondContact OD1-NH2 2.71Å; D569-R575 IonicContact OD2-CZ 2.84Å; D569-R575 IonicContact OD2-NE 3.23Å; D569-R575 PolarHBondContact OD2-NE 2.82Å; D569-R575 IonicContact OD2-NH2 2.69Å; D569-R575 PolarHBondContact OD2-NH2 2.84Å
570	P	84.1	Confident	86.1	Confident	53 Å²	53	42 Å²	42	34%	0.344	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-56.9	152.8	175	-22.1	32.3	0	0	0	112.5	A273 G572 F573	A273-P570 HydrophobicContact CB-CG 4.46Å; P570-G572 PolarHBondContact O-N 3.31Å; P570-F573 HydrophobicContact CB-CD2 3.74Å; P570-F573 HydrophobicContact CB-CE2 3.96Å; P570-F573 HydrophobicContact CB-CG 4.31Å; P570-F573 HydrophobicContact CG-CD2 4.27Å; P570-F573 HydrophobicContact CG-CE2 4.37Å; P570-F573 HydrophobicContact CG-CG 4.45Å; P570-F573 VanDerWaalsContact O-CB 3.31Å; P570-F573 WeakPolarHBondContact O-CB 3.44Å; P570-F573 PolarHBondContact O-N 3.28Å
571	T	83.3	Confident	86.8	Confident	87 Å²	87	41.2 Å²	41.2	53%	0.534	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	130.6	179.4	54.3	0	0	0	0	111.7	G488 F573	G488-T571 WeakPolarHBondContact CA-O 3.12Å; T571-F573 VanDerWaalsContact C-N 3.34Å
572	G	81.9	Confident	87.2	Confident	9 Å²	9	40.2 Å²	40.2	9%	0.093	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-14.9	-179.3	0	0	0	0	0	114.6	P570	P570-G572 PolarHBondContact O-N 3.31Å
573	F	89.4	Confident	87.2	Confident	8 Å²	8	41.9 Å²	41.9	4%	0.035	20%	0.204	C	C	.	.			trans	-75	141.9	177.2	-76.5	-122.2	0	0	0	111.2	L269 R272 L553 D569 P570 T571	L269-F573 HydrophobicContact CD1-CD1 3.91Å; L269-F573 HydrophobicContact CD1-CE1 4.25Å; R272-F573 HydrophobicContact CB-CE1 3.7Å; R272-F573 HydrophobicContact CB-CZ 4.25Å; L553-F573 HydrophobicContact CD1-CD1 3.58Å; L553-F573 HydrophobicContact CD1-CE1 4.27Å; D569-F573 HydrophobicContact CB-CB 4.01Å; P570-F573 HydrophobicContact CB-CD2 3.74Å; P570-F573 HydrophobicContact CB-CE2 3.96Å; P570-F573 HydrophobicContact CB-CG 4.31Å; P570-F573 HydrophobicContact CG-CD2 4.27Å; P570-F573 HydrophobicContact CG-CE2 4.37Å; P570-F573 HydrophobicContact CG-CG 4.45Å; P570-F573 VanDerWaalsContact O-CB 3.31Å; P570-F573 WeakPolarHBondContact O-CB 3.44Å; P570-F573 PolarHBondContact O-N 3.28Å; T571-F573 VanDerWaalsContact C-N 3.34Å
574	R	91.8	Very high	87	Confident	31 Å²	31	41 Å²	41	12%	0.117	20%	0.198	C	C	.	.			trans	-139.7	159	177.3	-65.5	178.6	-176.5	-81.1	-7.4	108.6	Y495 E496 E523 V563 V564	Y495-R574 VanDerWaalsContact CD1-NH2 3.34Å; Y495-R574 VanDerWaalsContact CE1-NE 3.29Å; Y495-R574 VanDerWaalsContact CE1-NH2 3.28Å; E496-R574 IonicContact OE1-NH2 3.05Å; E496-R574 PolarHBondContact OE1-NH2 3.23Å; E523-R574 HydrophobicContact CB-CB 4.47Å; E523-R574 VanDerWaalsContact CG-O 3.26Å; E523-R574 WeakPolarHBondContact CG-O 3.33Å; V563-R574 HydrophobicContact CG1-CB 3.98Å; V563-R574 HydrophobicContact CG1-CG 4.48Å; V564-R574 CarbonylContact O-C 3.58Å; V564-R574 VanDerWaalsContact O-CA 3.27Å; V564-R574 WeakPolarHBondContact O-CA 3.44Å; V564-R574 WeakPolarHBondContact O-CB 2.98Å
575	R	92.7	Very high	87.1	Confident	35 Å²	35	39.5 Å²	39.5	13%	0.132	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.9	-179.4	-52	-159.3	-177.8	-173.1	3	110.6	L553 L554 P555 N556 V563 V564 N566 D569	L553-R575 HydrophobicContact CB-CB 4.35Å; L553-R575 HydrophobicContact CB-CG 4.02Å; L553-R575 CarbonylContact O-C 3.56Å; L553-R575 WeakPolarHBondContact O-CA 3.22Å; L554-R575 VanDerWaalsContact O-CD 3.25Å; L554-R575 WeakPolarHBondContact O-CD 3.34Å; L554-R575 PolarHBondContact O-NH1 3.33Å; P555-R575 HydrophobicContact CB-CB 4.44Å; N556-R575 PolarHBondContact OD1-NH1 2.84Å; V563-R575 WeakPolarHBondContact CA-O 3.48Å; V564-R575 PolarHBondContact N-O 3.31Å; V564-R575 PolarHBondContact O-N 2.89Å; N566-R575 PolarHBondContact ND2-NH2 2.94Å; D569-R575 IonicContact OD1-CZ 2.65Å; D569-R575 IonicContact OD1-NE 2.9Å; D569-R575 IonicContact OD1-NH2 3.03Å; D569-R575 PolarHBondContact OD1-NH2 2.71Å; D569-R575 IonicContact OD2-CZ 2.84Å; D569-R575 IonicContact OD2-NE 3.23Å; D569-R575 PolarHBondContact OD2-NE 2.82Å; D569-R575 IonicContact OD2-NH2 2.69Å; D569-R575 PolarHBondContact OD2-NH2 2.84Å
576	L	93.2	Very high	87.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.3	-179.1	-179	75.2	0	0	0	110.5	E523 I526 A543 L552 L553 L554 P555 L562 V563 L578 L581	E523-L576 HydrophobicContact CB-CB 3.92Å; E523-L576 HydrophobicContact CG-CB 3.86Å; I526-L576 HydrophobicContact CB-CD2 4.18Å; I526-L576 HydrophobicContact CD1-CD2 4.32Å; I526-L576 HydrophobicContact CG2-CD1 4.23Å; I526-L576 HydrophobicContact CG2-CD2 3.62Å; A543-L576 HydrophobicContact CB-CD2 4.04Å; L552-L576 HydrophobicContact CD1-CB 4.19Å; L552-L576 HydrophobicContact CD1-CD2 3.87Å; L552-L576 HydrophobicContact CD2-CD2 4.18Å; L553-L576 PolarHBondContact O-N 3.11Å; L554-L576 WeakPolarHBondContact CD2-O 3.42Å; P555-L576 VanDerWaalsContact CD-C 3.46Å; P555-L576 WeakPolarHBondContact CD-O 3.27Å; L562-L576 HydrophobicContact CD1-CD1 3.96Å; L562-L576 HydrophobicContact CG-CD1 4.16Å; L562-L576 WeakPolarHBondContact O-CA 3.24Å; V563-L576 HydrophobicContact CG2-CD1 4.17Å; L576-L578 VanDerWaalsContact C-N 3.35Å; L576-L578 PolarHBondContact O-N 2.89Å; L576-L581 HydrophobicContact CD2-CD2 4.01Å
577	N	89.9	Confident	87.3	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	17%	0.171	C	C	.	.			trans	-74.6	87.6	171.2	-170.2	-18.3	0	0	0	110.2	P555 L558 S560 P561 L562 A579 R580 L581	P555-N577 HydrophobicContact CG-CB 3.93Å; L558-N577 PolarHBondContact O-ND2 2.9Å; S560-N577 PolarHBondContact O-ND2 2.8Å; P561-N577 WeakPolarHBondContact O-CB 3.43Å; L562-N577 PolarHBondContact O-N 3.22Å; N577-A579 VanDerWaalsContact C-N 3.31Å; N577-A579 PolarHBondContact O-N 2.86Å; N577-A579 WeakPolarHBondContact OD1-CB 3.39Å; N577-A579 PolarHBondContact OD1-N 3.45Å; N577-R580 HydrophobicContact CB-CB 3.95Å; N577-R580 VanDerWaalsContact CG-CB 3.42Å; N577-R580 PolarHBondContact O-N 3.15Å; N577-R580 PolarHBondContact OD1-N 2.85Å; N577-R580 VanDerWaalsContact OD1-N 3.13Å; N577-L581 PolarHBondContact O-N 3.5Å
578	L	91.2	Very high	87.4	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-35.4	-178.3	-177.8	65.4	0	0	0	112.8	A543 R547 L552 L554 L576 R580 L581 I582 L604	A543-L578 HydrophobicContact CB-CD1 3.92Å; R547-L578 HydrophobicContact CG-CD2 4.43Å; L552-L578 HydrophobicContact CD2-CD1 4.49Å; L552-L578 HydrophobicContact CD2-CD2 4.34Å; L554-L578 HydrophobicContact CD2-CB 3.56Å; L554-L578 HydrophobicContact CD2-CD2 4.43Å; L576-L578 VanDerWaalsContact C-N 3.35Å; L576-L578 PolarHBondContact O-N 2.89Å; L578-R580 VanDerWaalsContact C-N 3.34Å; L578-R580 PolarHBondContact O-N 3.25Å; L578-L581 HydrophobicContact CD1-CD2 4.31Å; L578-L581 PolarHBondContact O-N 2.83Å; L578-I582 HydrophobicContact CD1-CD1 4.03Å; L578-I582 HydrophobicContact CD1-CG1 4.05Å; L578-I582 HydrophobicContact CD2-CD1 4.36Å; L578-I582 HydrophobicContact CG-CD1 3.92Å; L578-I582 HydrophobicContact CG-CG1 4.26Å; L578-I582 WeakPolarHBondContact O-CG1 3.36Å; L578-I582 PolarHBondContact O-N 2.94Å; L578-L604 HydrophobicContact CD2-CD2 4.29Å; L578-L604 HydrophobicContact CG-CD2 4.14Å
579	A	87.2	Confident	87.6	Confident	5 Å²	5	21.5 Å²	21.5	4%	0.041	11%	0.108	C	C	.	.	H	α-helix	trans	-56.1	-53	176.1	0	0	0	0	0	110.4	L558 N577 L581 I582 M583 L604 L642	L558-A579 HydrophobicContact CD2-CB 4.02Å; N577-A579 VanDerWaalsContact C-N 3.31Å; N577-A579 PolarHBondContact O-N 2.86Å; N577-A579 WeakPolarHBondContact OD1-CB 3.39Å; N577-A579 PolarHBondContact OD1-N 3.45Å; A579-L581 VanDerWaalsContact C-N 3.34Å; A579-L581 PolarHBondContact O-N 3.27Å; A579-I582 PolarHBondContact O-N 3.49Å; A579-M583 VanDerWaalsContact O-CG 3.27Å; A579-M583 WeakPolarHBondContact O-CG 3.19Å; A579-M583 PolarHBondContact O-N 3.06Å; A579-L604 HydrophobicContact CB-CD1 4.43Å; A579-L604 HydrophobicContact CB-CD2 4.42Å; A579-L642 HydrophobicContact CB-CD2 3.46Å; A579-L642 VanDerWaalsContact CB-CD2 3.46Å
580	R	86.8	Confident	87.5	Confident	24 Å²	24	22 Å²	22	9%	0.091	11%	0.11	C	C	.	.	H	α-helix	trans	-59.3	-42.3	177.3	-171.6	166.5	178.5	99.4	-6.4	112.5	D152 L155 N577 L578 L584	D152-R580 IonicContact OD1-CZ 2.96Å; D152-R580 IonicContact OD1-NE 3.52Å; D152-R580 PolarHBondContact OD1-NE 3.39Å; D152-R580 IonicContact OD1-NH2 2.71Å; D152-R580 PolarHBondContact OD1-NH2 3.02Å; L155-R580 HydrophobicContact CD1-CG 3.56Å; L155-R580 HydrophobicContact CD2-CG 3.65Å; L155-R580 HydrophobicContact CG-CG 4.19Å; N577-R580 HydrophobicContact CB-CB 3.95Å; N577-R580 VanDerWaalsContact CG-CB 3.42Å; N577-R580 PolarHBondContact O-N 3.15Å; N577-R580 PolarHBondContact OD1-N 2.85Å; N577-R580 VanDerWaalsContact OD1-N 3.13Å; L578-R580 VanDerWaalsContact C-N 3.34Å; L578-R580 PolarHBondContact O-N 3.25Å; R580-L584 WeakPolarHBondContact O-CB 3.26Å; R580-L584 PolarHBondContact O-N 3.47Å; R580-L584 VanDerWaalsContact O-N 3.13Å
581	L	90.1	Very high	87.4	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62	-44.8	177	-178.8	59.2	0	0	0	112.4	I526 A530 V540 A543 L562 L576 N577 L578 A579 Y585	I526-L581 HydrophobicContact CG2-CD2 3.75Å; A530-L581 HydrophobicContact CB-CD1 3.5Å; A530-L581 VanDerWaalsContact CB-CD1 3.5Å; V540-L581 HydrophobicContact CG2-CD1 4.06Å; V540-L581 HydrophobicContact CG2-CD2 4.36Å; V540-L581 HydrophobicContact CG2-CG 3.97Å; A543-L581 HydrophobicContact CB-CD2 3.97Å; L562-L581 HydrophobicContact CD1-CB 3.87Å; L562-L581 HydrophobicContact CD1-CD1 4.43Å; L576-L581 HydrophobicContact CD2-CD2 4.01Å; N577-L581 PolarHBondContact O-N 3.5Å; L578-L581 HydrophobicContact CD1-CD2 4.31Å; L578-L581 PolarHBondContact O-N 2.83Å; A579-L581 VanDerWaalsContact C-N 3.34Å; A579-L581 PolarHBondContact O-N 3.27Å; L581-Y585 WeakPolarHBondContact O-CB 3.35Å; L581-Y585 PolarHBondContact O-N 3.34Å; L581-Y585 VanDerWaalsContact O-N 3.15Å
582	I	90.7	Very high	87.4	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.5	-48.8	-178.7	-73.1	-178.5	0	0	0	110.8	L544 L578 A579 L584 Y585 T586 Y601 M603 L604	L544-I582 HydrophobicContact CD2-CD1 3.85Å; L578-I582 HydrophobicContact CD1-CD1 4.03Å; L578-I582 HydrophobicContact CD1-CG1 4.05Å; L578-I582 HydrophobicContact CD2-CD1 4.36Å; L578-I582 HydrophobicContact CG-CD1 3.92Å; L578-I582 HydrophobicContact CG-CG1 4.26Å; L578-I582 WeakPolarHBondContact O-CG1 3.36Å; L578-I582 PolarHBondContact O-N 2.94Å; A579-I582 PolarHBondContact O-N 3.49Å; I582-L584 VanDerWaalsContact C-N 3.27Å; I582-L584 PolarHBondContact O-N 3.26Å; I582-Y585 WeakPolarHBondContact O-CB 3.2Å; I582-Y585 PolarHBondContact O-N 3.36Å; I582-T586 HydrophobicContact CG2-CG2 4.16Å; I582-T586 WeakPolarHBondContact O-CG2 3.39Å; I582-T586 PolarHBondContact O-N 3.24Å; I582-T586 PolarHBondContact O-OG1 3.42Å; I582-T586 VanDerWaalsContact O-OG1 3.06Å; I582-Y601 HydrophobicContact CG2-CD1 4.07Å; I582-Y601 HydrophobicContact CG2-CE1 4.29Å; I582-M603 HydrophobicContact CD1-CB 4.5Å; I582-L604 HydrophobicContact CB-CD1 4.2Å; I582-L604 HydrophobicContact CD1-CD1 4.38Å; I582-L604 HydrophobicContact CD1-CD2 3.78Å; I582-L604 HydrophobicContact CD1-CG 3.94Å; I582-L604 HydrophobicContact CG2-CD1 4.08Å
583	M	86	Confident	87.6	Confident	41 Å²	41	24 Å²	24	20%	0.202	11%	0.11	C	C	.	.	H	α-helix	trans	-58.4	-41.5	-179.7	-68.8	173.9	73.9	0	0	111.9	A579 Y585 T586 R587 Y601 E649	A579-M583 VanDerWaalsContact O-CG 3.27Å; A579-M583 WeakPolarHBondContact O-CG 3.19Å; A579-M583 PolarHBondContact O-N 3.06Å; M583-Y585 VanDerWaalsContact C-N 3.34Å; M583-Y585 PolarHBondContact O-N 3.06Å; M583-T586 WeakPolarHBondContact CA-OG1 3.36Å; M583-T586 PolarHBondContact O-N 3.09Å; M583-T586 PolarHBondContact O-OG1 2.83Å; M583-T586 VanDerWaalsContact O-OG1 3.07Å; M583-R587 WeakPolarHBondContact O-CB 3.49Å; M583-R587 PolarHBondContact O-N 3.24Å; M583-Y601 HydrophobicContact CG-CE1 4.32Å; M583-E649 WeakPolarHBondContact CE-OE2 3.46Å
584	L	83.9	Confident	87.3	Confident	14 Å²	14	24.6 Å²	24.6	7%	0.073	12%	0.115	C	C	.	.	H	α-helix	trans	-64.1	-39.1	174.8	173.4	68.7	0	0	0	112.9	L151 L155 R580 I582	L151-L584 HydrophobicContact CD1-CD1 4.28Å; L151-L584 HydrophobicContact CD1-CD2 3.37Å; L151-L584 HydrophobicContact CD1-CG 4.25Å; L151-L584 HydrophobicContact CD2-CD2 3.59Å; L151-L584 HydrophobicContact CG-CD2 3.31Å; L155-L584 HydrophobicContact CD1-CB 4.13Å; L155-L584 HydrophobicContact CD1-CD1 4.17Å; L155-L584 HydrophobicContact CD1-CD2 3.92Å; L155-L584 HydrophobicContact CD1-CG 4.31Å; L155-L584 HydrophobicContact CG-CD1 4.45Å; R580-L584 WeakPolarHBondContact O-CB 3.26Å; R580-L584 PolarHBondContact O-N 3.47Å; R580-L584 VanDerWaalsContact O-N 3.13Å; I582-L584 VanDerWaalsContact C-N 3.27Å; I582-L584 PolarHBondContact O-N 3.26Å
585	Y	88.8	Confident	87	Confident	3 Å²	3	28.7 Å²	28.7	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-70.4	-42.1	178.6	176.1	-113.8	0	0	0	112.1	E182 R536 C537 V540 L581 I582 M583 F589 Y600	E182-Y585 HydrophobicContact CG-CE2 4.33Å; E182-Y585 WeakPolarHBondContact CG-OH 3.22Å; R536-Y585 HydrophobicContact CG-CD2 4.14Å; C537-Y585 HydrophobicContact CB-CE2 4.06Å; V540-Y585 HydrophobicContact CB-CD1 4.42Å; V540-Y585 HydrophobicContact CB-CG 4.45Å; V540-Y585 HydrophobicContact CG1-CD1 3.95Å; V540-Y585 HydrophobicContact CG1-CE1 4.35Å; V540-Y585 HydrophobicContact CG1-CG 4.39Å; V540-Y585 HydrophobicContact CG2-CD1 4.13Å; V540-Y585 HydrophobicContact CG2-CD2 4.08Å; V540-Y585 HydrophobicContact CG2-CG 3.72Å; L581-Y585 WeakPolarHBondContact O-CB 3.35Å; L581-Y585 PolarHBondContact O-N 3.34Å; L581-Y585 VanDerWaalsContact O-N 3.15Å; I582-Y585 WeakPolarHBondContact O-CB 3.2Å; I582-Y585 PolarHBondContact O-N 3.36Å; M583-Y585 VanDerWaalsContact C-N 3.34Å; M583-Y585 PolarHBondContact O-N 3.06Å; Y585-F589 AromaticContact CD1-CE1 3.99Å; Y585-F589 HydrophobicContact CD1-CE1 3.99Å; Y585-F589 HydrophobicContact CD1-CZ 4.24Å; Y585-F589 AromaticContact CE1-CE1 3.74Å; Y585-F589 HydrophobicContact CE1-CE1 3.74Å; Y585-F589 AromaticContact CE1-CZ 3.96Å; Y585-F589 HydrophobicContact CE1-CZ 3.96Å; Y585-F589 HydrophobicContact CE2-CE1 4.44Å; Y585-F589 HydrophobicContact CG-CE1 4.46Å; Y585-F589 AromaticContact CZ-CE1 3.97Å; Y585-F589 VanDerWaalsContact O-CE1 3.29Å; Y585-F589 WeakPolarHBondContact O-CE1 3.1Å; Y585-Y600 HydrophobicContact CD1-CD1 4.41Å; Y585-Y600 HydrophobicContact CD1-CE1 4.21Å; Y585-Y600 HydrophobicContact CE1-CD1 4.37Å; Y585-Y600 AromaticContact CE1-CE1 3.75Å; Y585-Y600 HydrophobicContact CE1-CE1 3.75Å; Y585-Y600 HydrophobicContact CE1-CE2 4.01Å; Y585-Y600 AromaticContact CE1-CZ 3.56Å
586	T	88.1	Confident	86.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70.8	-30.8	-179.8	51	0	0	0	0	112.7	I582 M583 K588 F589 E590 A597 Y600 Y601	I582-T586 HydrophobicContact CG2-CG2 4.16Å; I582-T586 WeakPolarHBondContact O-CG2 3.39Å; I582-T586 PolarHBondContact O-N 3.24Å; I582-T586 PolarHBondContact O-OG1 3.42Å; I582-T586 VanDerWaalsContact O-OG1 3.06Å; M583-T586 WeakPolarHBondContact CA-OG1 3.36Å; M583-T586 PolarHBondContact O-N 3.09Å; M583-T586 PolarHBondContact O-OG1 2.83Å; M583-T586 VanDerWaalsContact O-OG1 3.07Å; T586-K588 PolarHBondContact O-N 3.37Å; T586-F589 HydrophobicContact CG2-CE2 4.41Å; T586-F589 HydrophobicContact CG2-CZ 3.93Å; T586-F589 CarbonylContact O-C 3.54Å; T586-F589 PolarHBondContact O-N 3.09Å; T586-E590 WeakPolarHBondContact O-CB 3.48Å; T586-E590 PolarHBondContact O-N 3.24Å; T586-A597 HydrophobicContact CG2-CB 4.3Å; T586-Y600 HydrophobicContact CG2-CD2 4.07Å; T586-Y600 HydrophobicContact CG2-CG 4.1Å; T586-Y601 HydrophobicContact CG2-CE1 3.97Å; T586-Y601 VanDerWaalsContact OG1-CE1 3.24Å; T586-Y601 WeakPolarHBondContact OG1-CE1 3.09Å; T586-Y601 PolarHBondContact OG1-OH 3.43Å
587	R	85.1	Confident	86.4	Confident	82 Å²	82	28.9 Å²	28.9	31%	0.309	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-30.4	178.8	-168.7	175.3	-174.7	177.2	5.2	114.3	E154 S157 M583 F589	E154-R587 PolarHBondContact O-NH1 3.2Å; S157-R587 PolarHBondContact OG-NH1 2.82Å; S157-R587 PolarHBondContact OG-NH2 3.23Å; S157-R587 VanDerWaalsContact OG-NH2 3.16Å; M583-R587 WeakPolarHBondContact O-CB 3.49Å; M583-R587 PolarHBondContact O-N 3.24Å; R587-F589 PolarHBondContact O-N 2.91Å
588	K	83.9	Confident	86.3	Confident	39 Å²	39	28.7 Å²	28.7	17%	0.17	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-35.4	177.6	177.1	-179.6	176.4	177.8	0	113.6	M176 E182 E533 T586	M176-K588 HydrophobicContact CB-CG 4.35Å; E182-K588 IonicContact OE1-NZ 2.86Å; E182-K588 PolarHBondContact OE1-NZ 2.71Å; E182-K588 IonicContact OE2-NZ 3.21Å; E182-K588 PolarHBondContact OE2-NZ 2.65Å; E533-K588 WeakPolarHBondContact OE1-CD 3.5Å; E533-K588 WeakPolarHBondContact OE1-CE 3.22Å; E533-K588 IonicContact OE1-NZ 2.78Å; E533-K588 PolarHBondContact OE1-NZ 3.48Å; T586-K588 PolarHBondContact O-N 3.37Å
589	F	85.6	Confident	86.2	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.009	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	5.2	-169.7	63.7	-94.9	0	0	0	114.1	L178 Y585 T586 R587 F591 T592 D593 K596 A597 Y600	L178-F589 HydrophobicContact CD1-CB 4.44Å; L178-F589 HydrophobicContact CD1-CD2 4.37Å; L178-F589 HydrophobicContact CD1-CG 4.37Å; L178-F589 HydrophobicContact CD2-CB 4.41Å; L178-F589 HydrophobicContact CD2-CD1 3.78Å; L178-F589 HydrophobicContact CD2-CD2 4.4Å; L178-F589 HydrophobicContact CD2-CE1 4.09Å; L178-F589 HydrophobicContact CD2-CG 3.95Å; L178-F589 HydrophobicContact CG-CB 4.12Å; L178-F589 HydrophobicContact CG-CD1 4.4Å; L178-F589 HydrophobicContact CG-CG 4.14Å; Y585-F589 AromaticContact CD1-CE1 3.99Å; Y585-F589 HydrophobicContact CD1-CE1 3.99Å; Y585-F589 HydrophobicContact CD1-CZ 4.24Å; Y585-F589 AromaticContact CE1-CE1 3.74Å; Y585-F589 HydrophobicContact CE1-CE1 3.74Å; Y585-F589 AromaticContact CE1-CZ 3.96Å; Y585-F589 HydrophobicContact CE1-CZ 3.96Å; Y585-F589 HydrophobicContact CE2-CE1 4.44Å; Y585-F589 HydrophobicContact CG-CE1 4.46Å; Y585-F589 AromaticContact CZ-CE1 3.97Å; Y585-F589 VanDerWaalsContact O-CE1 3.29Å; Y585-F589 WeakPolarHBondContact O-CE1 3.1Å; T586-F589 HydrophobicContact CG2-CE2 4.41Å; T586-F589 HydrophobicContact CG2-CZ 3.93Å; T586-F589 CarbonylContact O-C 3.54Å; T586-F589 PolarHBondContact O-N 3.09Å; R587-F589 PolarHBondContact O-N 2.91Å; F589-F591 PolarHBondContact O-N 3.23Å; F589-T592 WeakPolarHBondContact CA-OG1 3.47Å; F589-T592 PolarHBondContact O-N 3.49Å; F589-T592 VanDerWaalsContact O-N 3.11Å; F589-T592 PolarHBondContact O-OG1 3.33Å; F589-D593 HydrophobicContact CD2-CB 4.32Å; F589-D593 PolarHBondContact O-N 3.12Å; F589-K596 HydrophobicContact CD2-CB 4.45Å; F589-K596 HydrophobicContact CE2-CB 4.04Å; F589-A597 HydrophobicContact CE2-CB 4.2Å; F589-Y600 HydrophobicContact CE2-CD2 4.24Å; F589-Y600 HydrophobicContact CE2-CE2 4.16Å; F589-Y600 AromaticContact CZ-CD2 3.82Å; F589-Y600 HydrophobicContact CZ-CD2 3.82Å; F589-Y600 AromaticContact CZ-CE2 3.65Å; F589-Y600 HydrophobicContact CZ-CE2 3.65Å
590	E	84.6	Confident	86.3	Confident	23 Å²	23	28.6 Å²	28.6	11%	0.107	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.5	-178.4	68.9	-174.7	167.5	0	0	113.8	T586 P594 A597 Y601 L650 N654	T586-E590 WeakPolarHBondContact O-CB 3.48Å; T586-E590 PolarHBondContact O-N 3.24Å; E590-P594 WeakPolarHBondContact O-CA 3.5Å; E590-A597 HydrophobicContact CB-CB 4.18Å; E590-Y601 PolarHBondContact OE2-OH 2.95Å; E590-L650 HydrophobicContact CB-CD1 3.75Å; E590-L650 HydrophobicContact CG-CD1 4.41Å; E590-N654 PolarHBondContact O-ND2 3.5Å
591	F	80.8	Confident	86.4	Confident	87 Å²	87	27.8 Å²	27.8	38%	0.382	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-30.1	174.7	-59.8	-76.8	0	0	0	113.3	F589 A653 N654	F589-F591 PolarHBondContact O-N 3.23Å; F591-A653 HydrophobicContact CE1-CB 3.71Å; F591-A653 WeakPolarHBondContact CE1-O 3.39Å; F591-A653 HydrophobicContact CZ-CB 3.95Å; F591-N654 VanDerWaalsContact CD1-OD1 3.22Å; F591-N654 WeakPolarHBondContact CD1-OD1 3.41Å
592	T	84.4	Confident	86.3	Confident	58 Å²	58	29.2 Å²	29.2	36%	0.356	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-36.9	-177.2	59.8	0	0	0	0	112	F589	F589-T592 WeakPolarHBondContact CA-OG1 3.47Å; F589-T592 PolarHBondContact O-N 3.49Å; F589-T592 VanDerWaalsContact O-N 3.11Å; F589-T592 PolarHBondContact O-OG1 3.33Å
593	D	85	Confident	86.1	Confident	45 Å²	45	29.5 Å²	29.5	24%	0.241	14%	0.139	C	C	.	.			trans	-137.9	68.4	-175.3	-72.1	-87.2	0	0	0	110.7	L178 F589 E595 K596 A597	L178-D593 HydrophobicContact CD1-CB 4.16Å; L178-D593 WeakPolarHBondContact CD1-OD2 3.12Å; F589-D593 HydrophobicContact CD2-CB 4.32Å; F589-D593 PolarHBondContact O-N 3.12Å; D593-E595 PolarHBondContact O-N 3.39Å; D593-K596 HydrophobicContact CB-CB 4.2Å; D593-K596 HydrophobicContact CB-CD 4.05Å; D593-K596 HydrophobicContact CB-CG 4.26Å; D593-K596 PolarHBondContact O-N 3.5Å; D593-K596 VanDerWaalsContact O-N 3.09Å; D593-K596 IonicContact OD1-NZ 2.64Å; D593-K596 PolarHBondContact OD1-NZ 3.45Å; D593-A597 PolarHBondContact O-N 2.95Å
594	P	83.9	Confident	86	Confident	22 Å²	22	27.6 Å²	27.6	14%	0.143	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-33	-177.8	23.4	-33.9	0	0	0	112.8	E590 K596 A597 L598 L650 L660	E590-P594 WeakPolarHBondContact O-CA 3.5Å; P594-K596 VanDerWaalsContact C-N 3.3Å; P594-K596 PolarHBondContact O-N 2.85Å; P594-A597 PolarHBondContact O-N 3.43Å; P594-L598 PolarHBondContact O-N 2.73Å; P594-L650 HydrophobicContact CB-CD2 4.5Å; P594-L660 HydrophobicContact CB-CD1 4.35Å
595	E	85.6	Confident	85.8	Confident	116 Å²	116	27.8 Å²	27.8	54%	0.542	13%	0.132	S	C	.	.	H	α-helix	trans	-60.3	-39.5	176.7	-60.7	-172.3	164.2	0	0	112.4	D593 M599 A674	D593-E595 PolarHBondContact O-N 3.39Å; E595-M599 WeakPolarHBondContact O-CG 3.41Å; E595-M599 PolarHBondContact O-N 3.27Å; E595-A674 HydrophobicContact CG-CB 3.95Å
596	K	86.4	Confident	85.2	Confident	39 Å²	39	32.3 Å²	32.3	17%	0.17	16%	0.157	C	C	.	.	H	α-helix	trans	-73.5	-38.7	178.1	-66	179.3	-172.3	66.3	0	110.4	L178 A186 F589 D593 P594 L598 M599 Y600	L178-K596 HydrophobicContact CD1-CD 3.56Å; A186-K596 HydrophobicContact CB-CD 4.16Å; F589-K596 HydrophobicContact CD2-CB 4.45Å; F589-K596 HydrophobicContact CE2-CB 4.04Å; D593-K596 HydrophobicContact CB-CB 4.2Å; D593-K596 HydrophobicContact CB-CD 4.05Å; D593-K596 HydrophobicContact CB-CG 4.26Å; D593-K596 PolarHBondContact O-N 3.5Å; D593-K596 VanDerWaalsContact O-N 3.09Å; D593-K596 IonicContact OD1-NZ 2.64Å; D593-K596 PolarHBondContact OD1-NZ 3.45Å; P594-K596 VanDerWaalsContact C-N 3.3Å; P594-K596 PolarHBondContact O-N 2.85Å; K596-L598 VanDerWaalsContact C-N 3.3Å; K596-L598 PolarHBondContact O-N 3.37Å; K596-M599 HydrophobicContact CG-SD 4.5Å; K596-M599 VanDerWaalsContact O-CB 3.31Å; K596-M599 WeakPolarHBondContact O-CB 3.46Å; K596-M599 PolarHBondContact O-N 2.98Å; K596-M599 VanDerWaalsContact O-N 3.12Å; K596-Y600 WeakPolarHBondContact O-CD2 3.4Å; K596-Y600 PolarHBondContact O-N 3.36Å
597	A	87.5	Confident	84.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.9	-43.2	175.5	0	0	0	0	0	111.3	T586 F589 E590 D593 P594 M599 Y600 Y601	T586-A597 HydrophobicContact CG2-CB 4.3Å; F589-A597 HydrophobicContact CE2-CB 4.2Å; E590-A597 HydrophobicContact CB-CB 4.18Å; D593-A597 PolarHBondContact O-N 2.95Å; P594-A597 PolarHBondContact O-N 3.43Å; A597-M599 VanDerWaalsContact C-N 3.26Å; A597-M599 PolarHBondContact O-N 3.28Å; A597-Y600 PolarHBondContact O-N 3.03Å; A597-Y600 VanDerWaalsContact O-N 3.07Å; A597-Y601 HydrophobicContact CB-CE2 4.19Å; A597-Y601 PolarHBondContact O-N 2.82Å
598	L	87.4	Confident	83.7	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56	-37.6	174.2	-77.8	-179.8	0	0	0	113.4	P594 K596 Y600 Y601 Y602 F643 V647 L650 L660 A674 I675 F678	P594-L598 PolarHBondContact O-N 2.73Å; K596-L598 VanDerWaalsContact C-N 3.3Å; K596-L598 PolarHBondContact O-N 3.37Å; L598-Y600 VanDerWaalsContact C-N 3.32Å; L598-Y600 PolarHBondContact O-N 2.9Å; L598-Y601 PolarHBondContact O-N 3.43Å; L598-Y602 WeakPolarHBondContact O-CB 2.94Å; L598-Y602 PolarHBondContact O-N 3.5Å; L598-F643 HydrophobicContact CD2-CE2 4.31Å; L598-V647 HydrophobicContact CD2-CG2 3.63Å; L598-L650 HydrophobicContact CD2-CD2 3.9Å; L598-L650 HydrophobicContact CG-CD2 4.02Å; L598-L660 HydrophobicContact CD1-CD1 3.41Å; L598-L660 VanDerWaalsContact CD1-CD1 3.41Å; L598-L660 HydrophobicContact CD1-CG 4.46Å; L598-L660 HydrophobicContact CD2-CD1 4.01Å; L598-L660 HydrophobicContact CG-CD1 3.73Å; L598-A674 HydrophobicContact CD1-CB 3.54Å; L598-I675 HydrophobicContact CD1-CG2 4.14Å; L598-I675 HydrophobicContact CD2-CG2 4.48Å; L598-F678 HydrophobicContact CB-CD2 4.48Å; L598-F678 HydrophobicContact CB-CE2 3.73Å; L598-F678 HydrophobicContact CB-CZ 4.34Å; L598-F678 HydrophobicContact CD1-CE2 4.3Å
599	M	88.9	Confident	82.5	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-40.4	177.4	-66.4	165.6	39.8	0	0	112.1	A186 L189 D190 L193 E595 K596 A597 M603 F678	A186-M599 VanDerWaalsContact O-CE 3.3Å; A186-M599 WeakPolarHBondContact O-CE 3.23Å; L189-M599 HydrophobicContact CB-CE 3.9Å; L189-M599 HydrophobicContact CD2-CB 4.32Å; L189-M599 HydrophobicContact CD2-CE 4.13Å; L189-M599 HydrophobicContact CG-CE 3.92Å; D190-M599 HydrophobicContact CB-CE 3.56Å; D190-M599 HydrophobicContact CB-SD 4.06Å; L193-M599 HydrophobicContact CD1-CB 3.61Å; L193-M599 HydrophobicContact CD1-CE 4.36Å; L193-M599 HydrophobicContact CD1-CG 3.97Å; E595-M599 WeakPolarHBondContact O-CG 3.41Å; E595-M599 PolarHBondContact O-N 3.27Å; K596-M599 HydrophobicContact CG-SD 4.5Å; K596-M599 VanDerWaalsContact O-CB 3.31Å; K596-M599 WeakPolarHBondContact O-CB 3.46Å; K596-M599 PolarHBondContact O-N 2.98Å; K596-M599 VanDerWaalsContact O-N 3.12Å; A597-M599 VanDerWaalsContact C-N 3.26Å; A597-M599 PolarHBondContact O-N 3.28Å; M599-M603 PolarHBondContact O-N 2.9Å; M599-F678 HydrophobicContact CB-CZ 4.39Å; M599-F678 HydrophobicContact CG-CZ 3.83Å
600	Y	89.8	Confident	80.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-71.6	-41.1	176	-67.7	-82	0	0	0	111.6	L189 V540 H541 L544 Y585 T586 F589 K596 A597 L598 Y602 M603	L189-Y600 HydrophobicContact CD2-CD1 3.69Å; L189-Y600 HydrophobicContact CD2-CD2 4.44Å; L189-Y600 HydrophobicContact CD2-CE1 3.54Å; L189-Y600 HydrophobicContact CD2-CE2 4.31Å; L189-Y600 HydrophobicContact CD2-CG 4.14Å; V540-Y600 HydrophobicContact CG1-CD1 4.44Å; V540-Y600 HydrophobicContact CG1-CE1 4.32Å; H541-Y600 AromaticContact CE1-CE1 3.96Å; H541-Y600 PolarHBondContact CE1-OH 2.76Å; H541-Y600 VanDerWaalsContact CE1-OH 3.27Å; H541-Y600 AromaticContact NE2-CE1 3.41Å; H541-Y600 WeakPolarHBondContact NE2-CE1 3.41Å; H541-Y600 AromaticContact NE2-CZ 3.64Å; H541-Y600 PolarHBondContact NE2-OH 3.47Å; L544-Y600 HydrophobicContact CD1-CD1 4.15Å; L544-Y600 HydrophobicContact CD1-CE1 4.23Å; Y585-Y600 HydrophobicContact CD1-CD1 4.41Å; Y585-Y600 HydrophobicContact CD1-CE1 4.21Å; Y585-Y600 HydrophobicContact CE1-CD1 4.37Å; Y585-Y600 AromaticContact CE1-CE1 3.75Å; Y585-Y600 HydrophobicContact CE1-CE1 3.75Å; Y585-Y600 HydrophobicContact CE1-CE2 4.01Å; Y585-Y600 AromaticContact CE1-CZ 3.56Å; T586-Y600 HydrophobicContact CG2-CD2 4.07Å; T586-Y600 HydrophobicContact CG2-CG 4.1Å; F589-Y600 HydrophobicContact CE2-CD2 4.24Å; F589-Y600 HydrophobicContact CE2-CE2 4.16Å; F589-Y600 AromaticContact CZ-CD2 3.82Å; F589-Y600 HydrophobicContact CZ-CD2 3.82Å; F589-Y600 AromaticContact CZ-CE2 3.65Å; F589-Y600 HydrophobicContact CZ-CE2 3.65Å; K596-Y600 WeakPolarHBondContact O-CD2 3.4Å; K596-Y600 PolarHBondContact O-N 3.36Å; A597-Y600 PolarHBondContact O-N 3.03Å; A597-Y600 VanDerWaalsContact O-N 3.07Å; L598-Y600 VanDerWaalsContact C-N 3.32Å; L598-Y600 PolarHBondContact O-N 2.9Å; Y600-Y602 VanDerWaalsContact C-N 3.26Å; Y600-Y602 PolarHBondContact O-N 2.89Å; Y600-M603 WeakPolarHBondContact O-CB 3.34Å; Y600-M603 PolarHBondContact O-N 2.98Å; Y600-M603 VanDerWaalsContact O-N 3.07Å
601	Y	88.5	Confident	79.1	Confident	6 Å²	6	39.1 Å²	39.1	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-34.7	174.7	-62.2	-29.9	0	0	0	111.9	I582 M583 T586 E590 A597 L598 M603 L604 F643 C646 L650	I582-Y601 HydrophobicContact CG2-CD1 4.07Å; I582-Y601 HydrophobicContact CG2-CE1 4.29Å; M583-Y601 HydrophobicContact CG-CE1 4.32Å; T586-Y601 HydrophobicContact CG2-CE1 3.97Å; T586-Y601 VanDerWaalsContact OG1-CE1 3.24Å; T586-Y601 WeakPolarHBondContact OG1-CE1 3.09Å; T586-Y601 PolarHBondContact OG1-OH 3.43Å; E590-Y601 PolarHBondContact OE2-OH 2.95Å; A597-Y601 HydrophobicContact CB-CE2 4.19Å; A597-Y601 PolarHBondContact O-N 2.82Å; L598-Y601 PolarHBondContact O-N 3.43Å; Y601-M603 PolarHBondContact O-N 2.95Å; Y601-L604 WeakPolarHBondContact O-CA 3.41Å; Y601-L604 VanDerWaalsContact O-CB 3.31Å; Y601-L604 WeakPolarHBondContact O-CB 3.39Å; Y601-L604 PolarHBondContact O-N 3.16Å; Y601-F643 VanDerWaalsContact C-CD2 3.42Å; Y601-F643 WeakPolarHBondContact O-CD2 3.12Å; Y601-C646 HydrophobicContact CD1-CB 3.75Å; Y601-C646 HydrophobicContact CD2-CB 3.77Å; Y601-C646 HydrophobicContact CE1-CB 4.17Å; Y601-C646 HydrophobicContact CE2-CB 4.17Å; Y601-C646 HydrophobicContact CG-CB 3.56Å; Y601-L650 HydrophobicContact CD2-CD2 4.35Å; Y601-L650 HydrophobicContact CE2-CB 4.18Å; Y601-L650 HydrophobicContact CE2-CD1 4.42Å; Y601-L650 HydrophobicContact CE2-CD2 4.1Å; Y601-L650 HydrophobicContact CE2-CG 4.48Å
602	Y	87.6	Confident	77.2	Confident	31 Å²	31	42.8 Å²	42.8	12%	0.122	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-29.2	175.6	-176.1	-99.1	0	0	0	112.4	L193 L197 L598 Y600 L604 S605 F643 F678	L193-Y602 HydrophobicContact CD2-CD1 3.75Å; L193-Y602 HydrophobicContact CD2-CE1 4.12Å; L197-Y602 HydrophobicContact CD2-CE1 4.12Å; L197-Y602 WeakPolarHBondContact CD2-OH 3.33Å; L598-Y602 WeakPolarHBondContact O-CB 2.94Å; L598-Y602 PolarHBondContact O-N 3.5Å; Y600-Y602 VanDerWaalsContact C-N 3.26Å; Y600-Y602 PolarHBondContact O-N 2.89Å; Y602-L604 PolarHBondContact O-N 3.39Å; Y602-L604 VanDerWaalsContact O-N 3.14Å; Y602-S605 VanDerWaalsContact O-CB 3.25Å; Y602-S605 WeakPolarHBondContact O-CB 3.48Å; Y602-S605 PolarHBondContact O-N 2.83Å; Y602-S605 PolarHBondContact O-OG 3.44Å; Y602-F643 HydrophobicContact CD2-CE2 4.44Å; Y602-F643 HydrophobicContact CD2-CZ 4.39Å; Y602-F678 AromaticContact CD1-CD1 3.89Å; Y602-F678 HydrophobicContact CD1-CD1 3.89Å; Y602-F678 HydrophobicContact CD1-CE1 4.22Å; Y602-F678 HydrophobicContact CD2-CB 3.64Å; Y602-F678 AromaticContact CD2-CD1 3.43Å; Y602-F678 HydrophobicContact CD2-CD1 3.43Å; Y602-F678 VanDerWaalsContact CD2-CD1 3.43Å; Y602-F678 HydrophobicContact CD2-CE1 4.37Å; Y602-F678 AromaticContact CD2-CG 3.78Å; Y602-F678 HydrophobicContact CD2-CG 3.78Å; Y602-F678 HydrophobicContact CE1-CD1 4.43Å; Y602-F678 HydrophobicContact CE2-CB 3.89Å; Y602-F678 HydrophobicContact CE2-CD1 4.01Å; Y602-F678 HydrophobicContact CE2-CG 4.38Å; Y602-F678 HydrophobicContact CG-CB 4.44Å; Y602-F678 AromaticContact CG-CD1 3.35Å; Y602-F678 HydrophobicContact CG-CD1 3.35Å; Y602-F678 AromaticContact CG-CE1 3.86Å; Y602-F678 HydrophobicContact CG-CE1 3.86Å; Y602-F678 HydrophobicContact CG-CG 4.1Å
603	M	85.8	Confident	74.7	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.03	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.6	172.4	-62.6	-62.6	-70.5	0	0	113.1	L189 L193 L213 L544 R547 I582 M599 Y600 Y601	L189-M603 HydrophobicContact CD1-CG 4.31Å; L189-M603 HydrophobicContact CD1-SD 4.22Å; L193-M603 HydrophobicContact CD2-SD 3.84Å; L213-M603 HydrophobicContact CD2-CE 4.32Å; L544-M603 HydrophobicContact CD2-CB 3.78Å; L544-M603 HydrophobicContact CD2-CE 4.04Å; L544-M603 HydrophobicContact CD2-CG 4.01Å; R547-M603 PolarHBondContact NH1-O 3.36Å; R547-M603 PolarHBondContact NH2-O 2.79Å; I582-M603 HydrophobicContact CD1-CB 4.5Å; M599-M603 PolarHBondContact O-N 2.9Å; Y600-M603 WeakPolarHBondContact O-CB 3.34Å; Y600-M603 PolarHBondContact O-N 2.98Å; Y600-M603 VanDerWaalsContact O-N 3.07Å; Y601-M603 PolarHBondContact O-N 2.95Å
604	L	83.9	Confident	72.1	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	0.3	174	-60.4	174.4	0	0	0	113.2	L578 A579 I582 Y601 Y602 D606 I607 L642	L578-L604 HydrophobicContact CD2-CD2 4.29Å; L578-L604 HydrophobicContact CG-CD2 4.14Å; A579-L604 HydrophobicContact CB-CD1 4.43Å; A579-L604 HydrophobicContact CB-CD2 4.42Å; I582-L604 HydrophobicContact CB-CD1 4.2Å; I582-L604 HydrophobicContact CD1-CD1 4.38Å; I582-L604 HydrophobicContact CD1-CD2 3.78Å; I582-L604 HydrophobicContact CD1-CG 3.94Å; I582-L604 HydrophobicContact CG2-CD1 4.08Å; Y601-L604 WeakPolarHBondContact O-CA 3.41Å; Y601-L604 VanDerWaalsContact O-CB 3.31Å; Y601-L604 WeakPolarHBondContact O-CB 3.39Å; Y601-L604 PolarHBondContact O-N 3.16Å; Y602-L604 PolarHBondContact O-N 3.39Å; Y602-L604 VanDerWaalsContact O-N 3.14Å; L604-D606 PolarHBondContact O-N 2.65Å; L604-I607 HydrophobicContact CD2-CD1 3.94Å; L604-I607 PolarHBondContact O-N 2.92Å; L604-I607 VanDerWaalsContact O-N 3.1Å; L604-L642 HydrophobicContact CB-CB 4.5Å; L604-L642 HydrophobicContact CB-CD2 4.01Å; L604-L642 HydrophobicContact CB-CG 4.31Å; L604-L642 HydrophobicContact CD1-CD2 3.98Å; L604-L642 HydrophobicContact CD1-CG 4.43Å; L604-L642 HydrophobicContact CD2-CD2 4.39Å; L604-L642 HydrophobicContact CG-CD2 4.36Å
605	S	81.1	Confident	69.6	Low	19 Å²	19	55.5 Å²	55.5	13%	0.133	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.1	-173.1	57	0	0	0	0	115.2	Y602 I607	Y602-S605 VanDerWaalsContact O-CB 3.25Å; Y602-S605 WeakPolarHBondContact O-CB 3.48Å; Y602-S605 PolarHBondContact O-N 2.83Å; Y602-S605 PolarHBondContact O-OG 3.44Å; S605-I607 VanDerWaalsContact C-N 3.3Å; S605-I607 PolarHBondContact O-N 3.34Å
606	D	75.3	Confident	67.1	Low	98 Å²	98	58.1 Å²	58.1	52%	0.524	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-5.3	178.4	-42.1	-63.8	0	0	0	113.6	R547 L604 P608	R547-D606 IonicContact CZ-OD2 2.73Å; R547-D606 IonicContact NH1-OD2 3.38Å; R547-D606 PolarHBondContact NH1-OD2 2.79Å; R547-D606 IonicContact NH2-OD2 3.04Å; R547-D606 PolarHBondContact NH2-OD2 3.04Å; L604-D606 PolarHBondContact O-N 2.65Å; D606-P608 VanDerWaalsContact O-CD 3.32Å; D606-P608 WeakPolarHBondContact O-CD 3.38Å
607	I	73.8	Confident	64.6	Low	32 Å²	32	64.6 Å²	64.6	16%	0.164	34%	0.339	C	S	.	.			trans	-93.3	110.5	-178.4	-55.7	177.2	0	0	0	108.6	L554 L558 L604 S605 L642	L554-I607 HydrophobicContact CD1-CD1 4.28Å; L558-I607 HydrophobicContact CD2-CG2 4.45Å; L604-I607 HydrophobicContact CD2-CD1 3.94Å; L604-I607 PolarHBondContact O-N 2.92Å; L604-I607 VanDerWaalsContact O-N 3.1Å; S605-I607 VanDerWaalsContact C-N 3.3Å; S605-I607 PolarHBondContact O-N 3.34Å; I607-L642 HydrophobicContact CB-CB 4.47Å; I607-L642 HydrophobicContact CB-CD2 4.49Å; I607-L642 HydrophobicContact CG2-CD2 4.49Å; I607-L642 PolarHBondContact O-N 2.85Å; I607-L642 VanDerWaalsContact O-N 3.16Å
608	P	67.2	Low	61.9	Low	64 Å²	64	71.8 Å²	71.8	42%	0.416	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-75.1	150.1	175.2	32	-34.4	0	0	0	110.9	D606	D606-P608 VanDerWaalsContact O-CD 3.32Å; D606-P608 WeakPolarHBondContact O-CD 3.38Å
609	I	59.7	Low	59.2	Low	51 Å²	51	77 Å²	77	26%	0.262	41%	0.414	S	S	.	.	S	Bend	trans	-80.1	-28.3	175.6	-60.9	165.4	0	0	0	111.4	T611 Q640 Q645	I609-T611 VanDerWaalsContact C-N 3.34Å; I609-T611 PolarHBondContact O-N 3.42Å; I609-Q640 HydrophobicContact CB-CB 4.2Å; I609-Q640 WeakPolarHBondContact CB-O 3.25Å; I609-Q640 HydrophobicContact CD1-CB 4.06Å; I609-Q640 WeakPolarHBondContact CD1-O 3.42Å; I609-Q640 VanDerWaalsContact CG1-O 3.25Å; I609-Q640 WeakPolarHBondContact CG1-O 3.42Å; I609-Q640 PolarHBondContact N-O 2.77Å; I609-Q645 HydrophobicContact CD1-CB 4.31Å
610	T	51.2	Low	56.3	Low	84 Å²	84	83.5 Å²	83.5	52%	0.515	45%	0.448	S	S	.	.			trans	-75.5	71.4	-171.3	49.6	0	0	0	0	113.7
611	T	46.8	Very low	53.5	Low	58 Å²	58	93 Å²	93	36%	0.356	49%	0.493	S	S	.	.			trans	-114.6	24.3	168.7	60.2	0	0	0	0	113.4	N556 W557 I609 K613	N556-T611 PolarHBondContact O-OG1 3.12Å; W557-T611 VanDerWaalsContact CH2-O 3.23Å; W557-T611 WeakPolarHBondContact CH2-O 3.5Å; W557-T611 WeakPolarHBondContact CZ3-O 3.28Å; I609-T611 VanDerWaalsContact C-N 3.34Å; I609-T611 PolarHBondContact O-N 3.42Å; T611-K613 VanDerWaalsContact C-N 3.28Å; T611-K613 PolarHBondContact O-N 3.02Å
612	E	40.8	Very low	50.5	Low	164 Å²	164	98.2 Å²	98.2	77%	0.766	53%	0.526	S	S	*	.			trans	-80.5	10.4	174.3	-76.9	-169.3	174.1	0	0	115.2	S614	E612-S614 PolarHBondContact O-N 3.44Å
613	K	32.7	Very low	47.7	Very low	198 Å²	198	103.3 Å²	103.3	86%	0.861	55%	0.554	S	S	*	*			trans	-79.2	95.4	167.6	-72.1	-165.5	176.2	-169.8	0	109.1	T611	T611-K613 VanDerWaalsContact C-N 3.28Å; T611-K613 PolarHBondContact O-N 3.02Å
614	S	30.7	Very low	44.8	Very low	78 Å²	78	108.4 Å²	108.4	55%	0.545	59%	0.587	S	S	.	*			trans	-41	125.7	162.6	42.4	0	0	0	0	109.7	E612 E616	E612-S614 PolarHBondContact O-N 3.44Å; S614-E616 PolarHBondContact O-N 3.39Å; S614-E616 VanDerWaalsContact O-N 3.1Å
615	P	30.6	Very low	42.2	Very low	115 Å²	115	114.3 Å²	114.3	75%	0.747	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-74.9	10.2	177.9	29.8	-33	0	0	0	113.1
616	E	34.1	Very low	39.6	Very low	172 Å²	172	117.4 Å²	117.4	80%	0.804	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-84.8	-5.6	-171.2	-65.1	-170.8	173.1	0	0	114.7	S614	S614-E616 PolarHBondContact O-N 3.39Å; S614-E616 VanDerWaalsContact O-N 3.1Å
617	E	33	Very low	37.4	Very low	175 Å²	175	120 Å²	120	82%	0.818	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-93.9	-11.3	177.5	-72	-165.2	163.9	0	0	116	S619	E617-S619 PolarHBondContact O-N 2.77Å
618	D	30.7	Very low	35.1	Very low	150 Å²	150	124.4 Å²	124.4	80%	0.802	67%	0.673	S	S	*	*			trans	-103.6	70.6	177.4	-74.6	-27.4	0	0	0	111.5	D620	D618-D620 PolarHBondContact O-N 2.96Å
619	S	31.6	Very low	33	Very low	110 Å²	110	128 Å²	128	77%	0.769	69%	0.688	S	S	*	*			trans	-83.2	18	164	53.9	0	0	0	0	113.3	E617	E617-S619 PolarHBondContact O-N 2.77Å
620	D	27.8	Very low	31.2	Very low	142 Å²	142	132 Å²	132	76%	0.759	72%	0.715	S	S	*	*	S	Bend	trans	-98.6	106.1	172.5	-87.9	-16.2	0	0	0	110.8	D618 T622	D618-D620 PolarHBondContact O-N 2.96Å; D620-T622 PolarHBondContact O-N 2.89Å
621	E	30.1	Very low	29.9	Very low	199 Å²	199	132.9 Å²	132.9	93%	0.93	73%	0.725	S	S	*	*	S	Bend	trans	-16.9	25	167.7	-66.2	-172.5	149.4	0	0	122.4
622	T	26.5	Very low	28.9	Very low	117 Å²	117	137.7 Å²	137.7	72%	0.718	75%	0.748	S	S	*	*	S	Bend	trans	-122.8	99.2	172	-51.8	0	0	0	0	109.5	D620	D620-T622 PolarHBondContact O-N 2.89Å
623	I	28	Very low	28	Very low	138 Å²	138	138 Å²	138	71%	0.708	75%	0.749	S	S	*	*			trans	-17.1	117.6	162.8	-59.6	162.1	0	0	0	110.3	I625	I623-I625 VanDerWaalsContact C-N 3.31Å; I623-I625 WeakPolarHBondContact O-CG1 3.48Å; I623-I625 PolarHBondContact O-N 3.19Å
624	P	26	Very low	27.7	Very low	113 Å²	113	137.1 Å²	137.1	73%	0.734	75%	0.748	S	S	*	*			trans	-69.7	88.7	-170.9	26.2	-32.1	0	0	0	110.2	A626	P624-A626 PolarHBondContact O-N 3.45Å
625	I	28.7	Very low	27.4	Very low	123 Å²	123	139.4 Å²	139.4	63%	0.631	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-73	1.7	173.5	-68.6	157.9	0	0	0	110.9	I623 L627	I623-I625 VanDerWaalsContact C-N 3.31Å; I623-I625 WeakPolarHBondContact O-CG1 3.48Å; I623-I625 PolarHBondContact O-N 3.19Å; I625-L627 VanDerWaalsContact C-N 3.3Å; I625-L627 PolarHBondContact O-N 3.03Å
626	A	27.3	Very low	27.4	Very low	85 Å²	85	139.3 Å²	139.3	70%	0.702	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-74.3	-6.9	-174	0	0	0	0	0	115.7	P624	P624-A626 PolarHBondContact O-N 3.45Å
627	L	28.1	Very low	27.4	Very low	153 Å²	153	134.2 Å²	134.2	80%	0.801	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-82.9	-7.5	175.9	-82.7	170.9	0	0	0	114.9	I625	I625-L627 VanDerWaalsContact C-N 3.3Å; I625-L627 PolarHBondContact O-N 3.03Å
628	Y	25.1	Very low	27.6	Very low	124 Å²	124	134 Å²	134	49%	0.486	75%	0.745	S	S	.	*	S	Bend	trans	-104.5	0	-171	-76.6	-72.9	0	0	0	117.3	H267	H267-Y628 PolarHBondContact CD2-OH 3.37Å; H267-Y628 AromaticContact CE1-CE1 3.7Å; H267-Y628 AromaticContact CE1-CZ 3.52Å; H267-Y628 PolarHBondContact CE1-OH 3.05Å; H267-Y628 PolarHBondContact ND1-OH 3.02Å; H267-Y628 AromaticContact NE2-CE1 3.17Å; H267-Y628 WeakPolarHBondContact NE2-CE1 3.35Å; H267-Y628 AromaticContact NE2-CZ 3.41Å; H267-Y628 PolarHBondContact NE2-OH 2.67Å
629	N	23.3	Very low	28.4	Very low	139 Å²	139	128.9 Å²	128.9	74%	0.743	72%	0.721	S	S	*	*			trans	-145.4	51.3	-175.4	-80.7	-34.3	0	0	0	115.6
630	T	23.1	Very low	29.7	Very low	135 Å²	135	128.2 Å²	128.2	83%	0.828	71%	0.705	S	S	*	*			trans	-107	65.9	161.8	37.3	0	0	0	0	110.7
631	S	23.9	Very low	31.7	Very low	102 Å²	102	123.8 Å²	123.8	71%	0.713	68%	0.682	S	S	*	*			trans	-68.6	130.4	148.7	34.5	0	0	0	0	108.2
632	L	24	Very low	33.9	Very low	159 Å²	159	114.5 Å²	114.5	83%	0.832	64%	0.639	S	S	*	*	S	Bend	trans	45.6	103.2	153.1	-124.2	71.5	0	0	0	117.2
633	E	23	Very low	36.6	Very low	172 Å²	172	109.6 Å²	109.6	80%	0.804	61%	0.607	S	S	*	*			trans	139	96	151.1	-76.8	168.3	-159.6	0	0	109.7
634	H	25.1	Very low	39.1	Very low	179 Å²	179	103.7 Å²	103.7	83%	0.829	58%	0.578	S	S	*	*			trans	172.5	117.4	139.6	-80.4	-46.1	0	0	0	109.1	T636	H634-T636 VanDerWaalsContact C-N 3.34Å; H634-T636 PolarHBondContact O-N 2.86Å
635	S	26.1	Very low	41.6	Very low	125 Å²	125	102 Å²	102	87%	0.874	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	22.3	-156.4	-174.3	0	0	0	0	115.8
636	T	29.6	Very low	44	Very low	114 Å²	114	96.3 Å²	96.3	70%	0.699	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-21.7	-176.2	53.5	0	0	0	0	114.5	H634 K638 S639	H634-T636 VanDerWaalsContact C-N 3.34Å; H634-T636 PolarHBondContact O-N 2.86Å; T636-K638 VanDerWaalsContact C-N 3.26Å; T636-K638 PolarHBondContact O-N 3.04Å; T636-S639 PolarHBondContact O-OG 3.06Å
637	A	34.5	Very low	46.7	Very low	65 Å²	65	92.2 Å²	92.2	54%	0.537	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-73.6	-14.7	-178.6	0	0	0	0	0	114	S639	A637-S639 PolarHBondContact O-N 2.73Å
638	K	37.5	Very low	49.2	Very low	171 Å²	171	85.4 Å²	85.4	74%	0.743	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-71.1	-14.2	178.5	-85.5	-177.9	177.1	175.5	0	114.1	T636 Q640	T636-K638 VanDerWaalsContact C-N 3.26Å; T636-K638 PolarHBondContact O-N 3.04Å; K638-Q640 VanDerWaalsContact C-N 3.34Å
639	S	47.1	Very low	51.7	Low	42 Å²	42	81.8 Å²	81.8	29%	0.294	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-81.8	-8.9	-176.3	58	0	0	0	0	114.1	T636 A637	T636-S639 PolarHBondContact O-OG 3.06Å; A637-S639 PolarHBondContact O-N 2.73Å
640	Q	58.9	Low	54.5	Low	96 Å²	96	75.2 Å²	75.2	45%	0.449	42%	0.415	S	S	.	.			trans	-118.7	52.1	-176.8	-65.2	-175.7	-3.5	0	0	111.7	I609 K638	I609-Q640 HydrophobicContact CB-CB 4.2Å; I609-Q640 WeakPolarHBondContact CB-O 3.25Å; I609-Q640 HydrophobicContact CD1-CB 4.06Å; I609-Q640 WeakPolarHBondContact CD1-O 3.42Å; I609-Q640 VanDerWaalsContact CG1-O 3.25Å; I609-Q640 WeakPolarHBondContact CG1-O 3.42Å; I609-Q640 PolarHBondContact N-O 2.77Å; K638-Q640 VanDerWaalsContact C-N 3.34Å
641	N	69.8	Low	57.2	Low	48 Å²	48	68.8 Å²	68.8	26%	0.257	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-85.5	142.7	167.7	-67.3	-19.4	0	0	0	109.1	F643 V644	N641-F643 PolarHBondContact O-N 3.23Å; N641-V644 HydrophobicContact CB-CG2 4.47Å; N641-V644 WeakPolarHBondContact O-CB 3.25Å; N641-V644 PolarHBondContact O-N 3.36Å
642	L	76.1	Confident	59.8	Low	5 Å²	5	65 Å²	65	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-55.3	-30.8	177.7	-176.2	60.6	0	0	0	112.8	L558 A579 L604 I607 V644 Q645 C646	L558-L642 HydrophobicContact CD1-CD1 3.94Å; L558-L642 HydrophobicContact CD2-CD1 4.42Å; L558-L642 HydrophobicContact CD2-CD2 3.89Å; A579-L642 HydrophobicContact CB-CD2 3.46Å; A579-L642 VanDerWaalsContact CB-CD2 3.46Å; L604-L642 HydrophobicContact CB-CB 4.5Å; L604-L642 HydrophobicContact CB-CD2 4.01Å; L604-L642 HydrophobicContact CB-CG 4.31Å; L604-L642 HydrophobicContact CD1-CD2 3.98Å; L604-L642 HydrophobicContact CD1-CG 4.43Å; L604-L642 HydrophobicContact CD2-CD2 4.39Å; L604-L642 HydrophobicContact CG-CD2 4.36Å; I607-L642 HydrophobicContact CB-CB 4.47Å; I607-L642 HydrophobicContact CB-CD2 4.49Å; I607-L642 HydrophobicContact CG2-CD2 4.49Å; I607-L642 PolarHBondContact O-N 2.85Å; I607-L642 VanDerWaalsContact O-N 3.16Å; L642-V644 VanDerWaalsContact C-N 3.33Å; L642-V644 PolarHBondContact O-N 2.96Å; L642-Q645 PolarHBondContact O-N 3.04Å; L642-C646 PolarHBondContact O-N 2.96Å; L642-C646 PolarHBondContact O-SG 3.37Å
643	F	83.6	Confident	62.3	Low	13 Å²	13	58.3 Å²	58.3	6%	0.057	31%	0.314	C	S	.	.	H	α-helix	trans	-55.3	-44.4	172	175.8	-114.3	0	0	0	113.1	L598 Y601 Y602 N641 Q645 C646 V647 F678 L688	L598-F643 HydrophobicContact CD2-CE2 4.31Å; Y601-F643 VanDerWaalsContact C-CD2 3.42Å; Y601-F643 WeakPolarHBondContact O-CD2 3.12Å; Y602-F643 HydrophobicContact CD2-CE2 4.44Å; Y602-F643 HydrophobicContact CD2-CZ 4.39Å; N641-F643 PolarHBondContact O-N 3.23Å; F643-Q645 VanDerWaalsContact C-N 3.34Å; F643-Q645 PolarHBondContact O-N 2.83Å; F643-C646 PolarHBondContact O-N 2.98Å; F643-V647 HydrophobicContact CD1-CG2 4.48Å; F643-V647 HydrophobicContact CD2-CG2 4.12Å; F643-V647 HydrophobicContact CE1-CG2 4.13Å; F643-V647 HydrophobicContact CE2-CG2 3.76Å; F643-V647 HydrophobicContact CG-CG2 4.5Å; F643-V647 HydrophobicContact CZ-CG2 3.76Å; F643-V647 VanDerWaalsContact O-CG2 3.23Å; F643-V647 WeakPolarHBondContact O-CG2 3.18Å; F643-V647 PolarHBondContact O-N 3.3Å; F643-F678 HydrophobicContact CE1-CB 4.46Å; F643-F678 HydrophobicContact CZ-CB 4.11Å; F643-F678 HydrophobicContact CZ-CD2 4.33Å; F643-F678 HydrophobicContact CZ-CG 4.31Å; F643-L688 HydrophobicContact CD1-CD1 4.27Å; F643-L688 HydrophobicContact CE1-CD1 3.74Å
644	V	81	Confident	64.9	Low	15 Å²	15	51.1 Å²	51.1	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-42.8	-178.5	178.8	0	0	0	0	110.1	N641 L642 V647 C648 L688 T691	N641-V644 HydrophobicContact CB-CG2 4.47Å; N641-V644 WeakPolarHBondContact O-CB 3.25Å; N641-V644 PolarHBondContact O-N 3.36Å; L642-V644 VanDerWaalsContact C-N 3.33Å; L642-V644 PolarHBondContact O-N 2.96Å; V644-V647 PolarHBondContact O-N 3.39Å; V644-C648 PolarHBondContact O-N 3.41Å; V644-C648 PolarHBondContact O-SG 3.02Å; V644-L688 HydrophobicContact CG1-CG 4.44Å; V644-L688 HydrophobicContact CG2-CG 4.41Å; V644-T691 HydrophobicContact CG1-CG2 3.83Å
645	Q	77.2	Confident	67.2	Low	78 Å²	78	51.9 Å²	51.9	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-46.9	176.4	-177.1	175.9	-14.6	0	0	112	I609 L642 F643 V647 C648 E649	I609-Q645 HydrophobicContact CD1-CB 4.31Å; L642-Q645 PolarHBondContact O-N 3.04Å; F643-Q645 VanDerWaalsContact C-N 3.34Å; F643-Q645 PolarHBondContact O-N 2.83Å; Q645-V647 PolarHBondContact O-N 3.25Å; Q645-C648 WeakPolarHBondContact O-CA 3.42Å; Q645-C648 WeakPolarHBondContact O-CB 3.37Å; Q645-C648 PolarHBondContact O-N 3.21Å; Q645-E649 WeakPolarHBondContact CG-OE1 3.39Å; Q645-E649 PolarHBondContact NE2-OE1 3.04Å; Q645-E649 PolarHBondContact O-N 3.03Å
646	C	80	Confident	69.6	Low	2 Å²	2	52 Å²	52	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-32.8	176	-64.3	0	0	0	0	112.2	Y601 L642 F643 L650	Y601-C646 HydrophobicContact CD1-CB 3.75Å; Y601-C646 HydrophobicContact CD2-CB 3.77Å; Y601-C646 HydrophobicContact CE1-CB 4.17Å; Y601-C646 HydrophobicContact CE2-CB 4.17Å; Y601-C646 HydrophobicContact CG-CB 3.56Å; L642-C646 PolarHBondContact O-N 2.96Å; L642-C646 PolarHBondContact O-SG 3.37Å; F643-C646 PolarHBondContact O-N 2.98Å; C646-L650 WeakPolarHBondContact O-CB 3.43Å; C646-L650 PolarHBondContact O-N 2.93Å
647	V	83.2	Confident	71.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.2	-38.2	173	178.3	0	0	0	0	111.5	L598 F643 V644 Q645 L650 A651 L660 L661 I675 L688 V692	L598-V647 HydrophobicContact CD2-CG2 3.63Å; F643-V647 HydrophobicContact CD1-CG2 4.48Å; F643-V647 HydrophobicContact CD2-CG2 4.12Å; F643-V647 HydrophobicContact CE1-CG2 4.13Å; F643-V647 HydrophobicContact CE2-CG2 3.76Å; F643-V647 HydrophobicContact CG-CG2 4.5Å; F643-V647 HydrophobicContact CZ-CG2 3.76Å; F643-V647 VanDerWaalsContact O-CG2 3.23Å; F643-V647 WeakPolarHBondContact O-CG2 3.18Å; F643-V647 PolarHBondContact O-N 3.3Å; V644-V647 PolarHBondContact O-N 3.39Å; Q645-V647 PolarHBondContact O-N 3.25Å; V647-L650 PolarHBondContact O-N 3.47Å; V647-A651 VanDerWaalsContact O-CB 3.22Å; V647-A651 WeakPolarHBondContact O-CB 3.5Å; V647-A651 PolarHBondContact O-N 3.17Å; V647-L660 HydrophobicContact CG1-CD2 4.46Å; V647-L661 HydrophobicContact CG1-CD2 4.5Å; V647-I675 HydrophobicContact CG1-CG2 4.33Å; V647-L688 HydrophobicContact CB-CD2 4.31Å; V647-L688 HydrophobicContact CG1-CD2 3.76Å; V647-V692 HydrophobicContact CG1-CG2 4.27Å
648	C	80.6	Confident	74.1	Confident	9 Å²	9	49.9 Å²	49.9	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-46.8	175	-64	0	0	0	0	111.2	V644 Q645 A651 L652 V695	V644-C648 PolarHBondContact O-N 3.41Å; V644-C648 PolarHBondContact O-SG 3.02Å; Q645-C648 WeakPolarHBondContact O-CA 3.42Å; Q645-C648 WeakPolarHBondContact O-CB 3.37Å; Q645-C648 PolarHBondContact O-N 3.21Å; C648-A651 PolarHBondContact O-N 2.82Å; C648-L652 WeakPolarHBondContact O-CG 3.49Å; C648-L652 PolarHBondContact O-N 3.32Å; C648-V695 HydrophobicContact CB-CG1 4.46Å; C648-V695 HydrophobicContact CB-CG2 4.28Å
649	E	78.4	Confident	76.1	Confident	49 Å²	49	46.3 Å²	46.3	23%	0.229	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-44.9	175.8	-69.9	172.6	-164.5	0	0	111.4	M583 Q645 A651 L652 A653	M583-E649 WeakPolarHBondContact CE-OE2 3.46Å; Q645-E649 WeakPolarHBondContact CG-OE1 3.39Å; Q645-E649 PolarHBondContact NE2-OE1 3.04Å; Q645-E649 PolarHBondContact O-N 3.03Å; E649-A651 VanDerWaalsContact C-N 3.33Å; E649-A651 PolarHBondContact O-N 3.25Å; E649-L652 PolarHBondContact O-N 3.34Å; E649-A653 WeakPolarHBondContact O-CB 3.24Å; E649-A653 PolarHBondContact O-N 2.86Å
650	L	81.1	Confident	77.8	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-39.2	176.1	-176.1	65.6	0	0	0	112.3	E590 P594 L598 Y601 C646 V647 N654 L660	E590-L650 HydrophobicContact CB-CD1 3.75Å; E590-L650 HydrophobicContact CG-CD1 4.41Å; P594-L650 HydrophobicContact CB-CD2 4.5Å; L598-L650 HydrophobicContact CD2-CD2 3.9Å; L598-L650 HydrophobicContact CG-CD2 4.02Å; Y601-L650 HydrophobicContact CD2-CD2 4.35Å; Y601-L650 HydrophobicContact CE2-CB 4.18Å; Y601-L650 HydrophobicContact CE2-CD1 4.42Å; Y601-L650 HydrophobicContact CE2-CD2 4.1Å; Y601-L650 HydrophobicContact CE2-CG 4.48Å; C646-L650 WeakPolarHBondContact O-CB 3.43Å; C646-L650 PolarHBondContact O-N 2.93Å; V647-L650 PolarHBondContact O-N 3.47Å; L650-N654 WeakPolarHBondContact CD1-ND2 3.27Å; L650-N654 VanDerWaalsContact O-CB 3.26Å; L650-N654 WeakPolarHBondContact O-CB 3.32Å; L650-N654 PolarHBondContact O-N 2.97Å; L650-N654 PolarHBondContact O-ND2 2.92Å; L650-L660 HydrophobicContact CD2-CD1 3.72Å; L650-L660 HydrophobicContact CD2-CD2 4.3Å; L650-L660 HydrophobicContact CG-CD1 4.49Å; L650-L660 HydrophobicContact CG-CD2 4.34Å
651	A	81.6	Confident	78.8	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-44.2	178.2	0	0	0	0	0	111.1	V647 C648 E649 A653 N654 L657 L660 V692 F696	V647-A651 VanDerWaalsContact O-CB 3.22Å; V647-A651 WeakPolarHBondContact O-CB 3.5Å; V647-A651 PolarHBondContact O-N 3.17Å; C648-A651 PolarHBondContact O-N 2.82Å; E649-A651 VanDerWaalsContact C-N 3.33Å; E649-A651 PolarHBondContact O-N 3.25Å; A651-A653 VanDerWaalsContact C-N 3.28Å; A651-A653 PolarHBondContact O-N 2.72Å; A651-N654 PolarHBondContact O-N 2.88Å; A651-L657 HydrophobicContact CB-CD2 3.85Å; A651-L657 WeakPolarHBondContact O-CD2 3.45Å; A651-L660 HydrophobicContact CB-CD2 4.05Å; A651-V692 HydrophobicContact CB-CG1 3.68Å; A651-F696 HydrophobicContact CB-CE2 3.85Å; A651-F696 HydrophobicContact CB-CZ 4.34Å; A651-F696 WeakPolarHBondContact O-CZ 3.25Å
652	L	78.4	Confident	79.3	Confident	21 Å²	21	37.8 Å²	37.8	11%	0.11	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-36.6	175.6	-75.2	174.1	0	0	0	112.5	L161 C648 E649 V695 F696 T699	L161-L652 HydrophobicContact CD1-CD1 3.37Å; C648-L652 WeakPolarHBondContact O-CG 3.49Å; C648-L652 PolarHBondContact O-N 3.32Å; E649-L652 PolarHBondContact O-N 3.34Å; L652-V695 HydrophobicContact CD1-CG1 3.6Å; L652-V695 HydrophobicContact CD2-CG1 4.34Å; L652-V695 HydrophobicContact CG-CG1 4.15Å; L652-F696 HydrophobicContact CD2-CD1 4.34Å; L652-F696 HydrophobicContact CD2-CD2 3.78Å; L652-F696 HydrophobicContact CD2-CE1 4.21Å; L652-F696 HydrophobicContact CD2-CE2 3.65Å; L652-F696 HydrophobicContact CD2-CG 4.16Å; L652-F696 HydrophobicContact CD2-CZ 3.89Å; L652-F696 HydrophobicContact CG-CD2 4.39Å; L652-F696 HydrophobicContact CG-CE2 3.98Å; L652-F696 HydrophobicContact CG-CZ 4.41Å; L652-T699 HydrophobicContact CD1-CG2 4.25Å; L652-T699 HydrophobicContact CD2-CG2 3.99Å
653	A	76.4	Confident	79.5	Confident	19 Å²	19	39.2 Å²	39.2	16%	0.157	20%	0.197	C	C	.	.	H	α-helix	trans	-72.8	-35.2	178.2	0	0	0	0	0	112.4	Y164 F591 E649 A651	Y164-A653 HydrophobicContact CE1-CB 4.22Å; F591-A653 HydrophobicContact CE1-CB 3.71Å; F591-A653 WeakPolarHBondContact CE1-O 3.39Å; F591-A653 HydrophobicContact CZ-CB 3.95Å; E649-A653 WeakPolarHBondContact O-CB 3.24Å; E649-A653 PolarHBondContact O-N 2.86Å; A651-A653 VanDerWaalsContact C-N 3.28Å; A651-A653 PolarHBondContact O-N 2.72Å
654	N	77.7	Confident	79.1	Confident	21 Å²	21	41 Å²	41	11%	0.112	21%	0.21	C	C	.	.			trans	-95.5	135.8	-172.5	-77.9	-35.1	0	0	0	113.9	E590 F591 L650 A651 E656	E590-N654 PolarHBondContact O-ND2 3.5Å; F591-N654 VanDerWaalsContact CD1-OD1 3.22Å; F591-N654 WeakPolarHBondContact CD1-OD1 3.41Å; L650-N654 WeakPolarHBondContact CD1-ND2 3.27Å; L650-N654 VanDerWaalsContact O-CB 3.26Å; L650-N654 WeakPolarHBondContact O-CB 3.32Å; L650-N654 PolarHBondContact O-N 2.97Å; L650-N654 PolarHBondContact O-ND2 2.92Å; A651-N654 PolarHBondContact O-N 2.88Å; N654-E656 VanDerWaalsContact C-N 3.34Å
655	K	71.8	Confident	78.7	Confident	195 Å²	195	42 Å²	42	85%	0.848	22%	0.222	S	C	*	.	S	Bend	trans	-79.5	-15.3	174.5	-63.9	-177	178.5	-177.8	0	113.7	L657	K655-L657 PolarHBondContact O-N 3.49Å
656	E	76.9	Confident	78.2	Confident	127 Å²	127	46.9 Å²	46.9	59%	0.593	25%	0.245	S	C	*	.			trans	-101.8	62.3	-172.9	-62.4	-174	171.7	0	0	112.2	N654 D658 L659	N654-E656 VanDerWaalsContact C-N 3.34Å; E656-D658 PolarHBondContact O-N 2.92Å; E656-L659 HydrophobicContact CB-CD1 4.42Å; E656-L659 PolarHBondContact O-N 2.99Å; E656-L659 VanDerWaalsContact OE2-CD1 3.24Å; E656-L659 WeakPolarHBondContact OE2-CD1 3.08Å
657	L	77.7	Confident	77.5	Confident	26 Å²	26	52.9 Å²	52.9	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-29.9	-179.9	-61.7	176.7	0	0	0	112.8	A651 K655 L659 L660 L661 F696 L708	A651-L657 HydrophobicContact CB-CD2 3.85Å; A651-L657 WeakPolarHBondContact O-CD2 3.45Å; K655-L657 PolarHBondContact O-N 3.49Å; L657-L659 PolarHBondContact O-N 3.29Å; L657-L660 PolarHBondContact O-N 3.13Å; L657-L661 HydrophobicContact CD2-CD1 4.33Å; L657-L661 WeakPolarHBondContact O-CB 3.1Å; L657-L661 PolarHBondContact O-N 2.9Å; L657-F696 HydrophobicContact CD1-CE1 4.1Å; L657-F696 HydrophobicContact CD1-CZ 4.06Å; L657-F696 HydrophobicContact CD2-CZ 3.99Å; L657-L708 HydrophobicContact CD1-CD1 4.38Å; L657-L708 HydrophobicContact CD1-CD2 4.29Å
658	D	80.5	Confident	76.8	Confident	109 Å²	109	55.9 Å²	55.9	58%	0.583	29%	0.293	S	S	*	.	H	α-helix	trans	-62.1	-37.8	-179.1	-71.5	-19.5	0	0	0	113.3	E656 G662 C663	E656-D658 PolarHBondContact O-N 2.92Å; D658-G662 CarbonylContact O-C 3.4Å; D658-G662 WeakPolarHBondContact O-CA 3.16Å; D658-G662 PolarHBondContact O-N 3.49Å; D658-C663 HydrophobicContact CB-CB 4.08Å
659	L	80.5	Confident	76.5	Confident	97 Å²	97	61 Å²	61	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-74	-37.1	178.2	-65	-178.9	0	0	0	111	E656 L657 A674	E656-L659 HydrophobicContact CB-CD1 4.42Å; E656-L659 PolarHBondContact O-N 2.99Å; E656-L659 VanDerWaalsContact OE2-CD1 3.24Å; E656-L659 WeakPolarHBondContact OE2-CD1 3.08Å; L657-L659 PolarHBondContact O-N 3.29Å; L659-A674 PolarHBondContact O-N 3.3Å
660	L	82.3	Confident	76.5	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-75.1	-58.2	-176.1	-168.8	73.7	0	0	0	111.4	P594 L598 V647 L650 A651 L657 G673 A674 I675	P594-L660 HydrophobicContact CB-CD1 4.35Å; L598-L660 HydrophobicContact CD1-CD1 3.41Å; L598-L660 VanDerWaalsContact CD1-CD1 3.41Å; L598-L660 HydrophobicContact CD1-CG 4.46Å; L598-L660 HydrophobicContact CD2-CD1 4.01Å; L598-L660 HydrophobicContact CG-CD1 3.73Å; V647-L660 HydrophobicContact CG1-CD2 4.46Å; L650-L660 HydrophobicContact CD2-CD1 3.72Å; L650-L660 HydrophobicContact CD2-CD2 4.3Å; L650-L660 HydrophobicContact CG-CD1 4.49Å; L650-L660 HydrophobicContact CG-CD2 4.34Å; A651-L660 HydrophobicContact CB-CD2 4.05Å; L657-L660 PolarHBondContact O-N 3.13Å; L660-G673 CarbonylContact O-C 3.47Å; L660-A674 PolarHBondContact O-N 2.94Å; L660-I675 HydrophobicContact CG-CG2 4.43Å; L660-I675 WeakPolarHBondContact O-CG1 3.17Å; L660-I675 WeakPolarHBondContact O-CG2 3.39Å; L660-I675 PolarHBondContact O-N 3.39Å
661	L	80.2	Confident	76.6	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-95.5	-15.7	-171.4	-58.4	171.8	0	0	0	112.6	V647 L657 R670 I675 I689 V692 L708 L711	V647-L661 HydrophobicContact CG1-CD2 4.5Å; L657-L661 HydrophobicContact CD2-CD1 4.33Å; L657-L661 WeakPolarHBondContact O-CB 3.1Å; L657-L661 PolarHBondContact O-N 2.9Å; L661-R670 PolarHBondContact O-NE 3.23Å; L661-R670 PolarHBondContact O-NH2 3.03Å; L661-I675 HydrophobicContact CB-CD1 4.45Å; L661-I675 HydrophobicContact CD2-CD1 3.73Å; L661-I675 HydrophobicContact CD2-CG1 4.46Å; L661-I675 HydrophobicContact CD2-CG2 4.12Å; L661-I689 HydrophobicContact CD2-CG1 4.48Å; L661-V692 HydrophobicContact CD1-CG1 4.14Å; L661-L708 HydrophobicContact CD1-CD1 4.4Å; L661-L708 HydrophobicContact CD1-CD2 3.41Å; L661-L708 VanDerWaalsContact CD1-CD2 3.41Å; L661-L711 HydrophobicContact CB-CD2 3.79Å
662	G	78.9	Confident	76.5	Confident	2 Å²	2	72 Å²	72	2%	0.021	38%	0.375	C	S	.	.			trans	92.4	167.7	-173.7	0	0	0	0	0	112.1	D658 K671 L711	D658-G662 CarbonylContact O-C 3.4Å; D658-G662 WeakPolarHBondContact O-CA 3.16Å; D658-G662 PolarHBondContact O-N 3.49Å; G662-K671 WeakPolarHBondContact CA-O 3.39Å; G662-L711 VanDerWaalsContact O-CD2 3.32Å; G662-L711 WeakPolarHBondContact O-CD2 3.37Å
663	C	80.5	Confident	76.7	Confident	35 Å²	35	71.5 Å²	71.5	24%	0.236	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.1	-179.9	65.6	0	0	0	0	111.7	D658 R670 K671	D658-C663 HydrophobicContact CB-CB 4.08Å; C663-R670 CarbonylContact O-C 3.53Å; C663-R670 WeakPolarHBondContact O-CA 3.44Å; C663-K671 PolarHBondContact N-O 2.99Å; C663-K671 PolarHBondContact O-N 3.43Å
664	V	76.4	Confident	77	Confident	52 Å²	52	71.4 Å²	71.4	32%	0.315	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.2	176.8	-174.3	0	0	0	0	109.1	D668 L711	V664-D668 WeakPolarHBondContact CG1-OD1 2.77Å; V664-L711 HydrophobicContact CG2-CB 4.49Å; V664-L711 HydrophobicContact CG2-CD1 3.54Å
665	G	73	Confident	77.2	Confident	34 Å²	34	70.4 Å²	70.4	35%	0.351	37%	0.369	S	S	.	.			trans	-81.3	176.4	172.8	0	0	0	0	0	113	N667 D668 I669	G665-N667 PolarHBondContact O-N 3.4Å; G665-D668 PolarHBondContact O-N 3.35Å; G665-I669 PolarHBondContact N-O 3.45Å
666	E	65.9	Low	77.7	Confident	181 Å²	181	62.3 Å²	62.3	85%	0.846	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.8	-178	-61.1	-177.4	165.5	0	0	114.7	D668	E666-D668 VanDerWaalsContact C-N 3.28Å; E666-D668 PolarHBondContact O-N 3.49Å
667	N	65.3	Low	78	Confident	128 Å²	128	60.4 Å²	60.4	68%	0.684	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	11.4	-179.3	-65.9	-12	0	0	0	113.4	G665 I669	G665-N667 PolarHBondContact O-N 3.4Å; N667-I669 HydrophobicContact CB-CD1 3.98Å; N667-I669 HydrophobicContact CB-CG1 4.04Å; N667-I669 PolarHBondContact O-N 2.99Å; N667-I669 VanDerWaalsContact O-N 3.14Å
668	D	68.1	Low	78.1	Confident	63 Å²	63	59.8 Å²	59.8	34%	0.337	32%	0.319	S	S	.	.	S	Bend	trans	60.1	16.5	-171.9	-157.8	29	0	0	0	113.5	V664 G665 E666 S714 K771	V664-D668 WeakPolarHBondContact CG1-OD1 2.77Å; G665-D668 PolarHBondContact O-N 3.35Å; E666-D668 VanDerWaalsContact C-N 3.28Å; E666-D668 PolarHBondContact O-N 3.49Å; D668-S714 PolarHBondContact OD1-OG 3.43Å; D668-K771 WeakPolarHBondContact OD1-CE 3.47Å; D668-K771 IonicContact OD1-NZ 2.75Å; D668-K771 PolarHBondContact OD1-NZ 3.44Å; D668-K771 IonicContact OD2-NZ 2.7Å
669	I	75.6	Confident	78.1	Confident	117 Å²	117	55.3 Å²	55.3	60%	0.6	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-87.8	117.1	174.1	-58.1	172	0	0	0	107.5	G665 N667	G665-I669 PolarHBondContact N-O 3.45Å; N667-I669 HydrophobicContact CB-CD1 3.98Å; N667-I669 HydrophobicContact CB-CG1 4.04Å; N667-I669 PolarHBondContact O-N 2.99Å; N667-I669 VanDerWaalsContact O-N 3.14Å
670	R	78.6	Confident	77.8	Confident	41 Å²	41	60.2 Å²	60.2	16%	0.155	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.3	176	-178.9	172.7	169.2	-87.4	6.6	110.7	L661 C663 D676 L711 C715	L661-R670 PolarHBondContact O-NE 3.23Å; L661-R670 PolarHBondContact O-NH2 3.03Å; C663-R670 CarbonylContact O-C 3.53Å; C663-R670 WeakPolarHBondContact O-CA 3.44Å; R670-D676 IonicContact CZ-OD1 2.67Å; R670-D676 IonicContact CZ-OD2 3.14Å; R670-D676 VanDerWaalsContact CZ-OD2 3.28Å; R670-D676 VanDerWaalsContact NH1-CG 3.27Å; R670-D676 IonicContact NH1-OD1 3.53Å; R670-D676 PolarHBondContact NH1-OD1 3.4Å; R670-D676 IonicContact NH1-OD2 2.71Å; R670-D676 PolarHBondContact NH1-OD2 3.27Å; R670-D676 VanDerWaalsContact NH2-CG 3.27Å; R670-D676 IonicContact NH2-OD1 3.12Å; R670-D676 PolarHBondContact NH2-OD1 2.8Å; R670-D676 IonicContact NH2-OD2 3.82Å; R670-D676 PolarHBondContact NH2-OD2 2.84Å; R670-L711 HydrophobicContact CG-CD1 3.93Å; R670-C715 VanDerWaalsContact CD-SG 3.59Å
671	K	82.6	Confident	77.7	Confident	136 Å²	136	61.9 Å²	61.9	59%	0.591	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	133.4	163.1	-68.8	-176.8	-177.5	171.2	0	108.7	G662 C663	G662-K671 WeakPolarHBondContact CA-O 3.39Å; C663-K671 PolarHBondContact N-O 2.99Å; C663-K671 PolarHBondContact O-N 3.43Å
672	P	79.6	Confident	77.6	Confident	104 Å²	104	64.8 Å²	64.8	68%	0.675	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-68.3	141.5	-176	28.2	-34.3	0	0	0	111.6	D676	P672-D676 WeakPolarHBondContact CA-OD2 3.49Å; P672-D676 HydrophobicContact CB-CB 4.3Å; P672-D676 WeakPolarHBondContact CB-OD2 3.32Å
673	G	82.6	Confident	77.6	Confident	11 Å²	11	70.5 Å²	70.5	11%	0.113	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-100.7	173.6	173.5	0	0	0	0	0	112.1	L660 I675 D676	L660-G673 CarbonylContact O-C 3.47Å; G673-I675 PolarHBondContact O-N 3.28Å; G673-D676 PolarHBondContact N-OD2 2.85Å; G673-D676 WeakPolarHBondContact O-CB 3.49Å; G673-D676 PolarHBondContact O-N 2.86Å
674	A	82.8	Confident	77.6	Confident	17 Å²	17	71.7 Å²	71.7	14%	0.14	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-57.6	-32.4	178.8	0	0	0	0	0	113.5	E595 L598 L659 L660 D676	E595-A674 HydrophobicContact CG-CB 3.95Å; L598-A674 HydrophobicContact CD1-CB 3.54Å; L659-A674 PolarHBondContact O-N 3.3Å; L660-A674 PolarHBondContact O-N 2.94Å; A674-D676 PolarHBondContact O-N 3.2Å
675	I	82.4	Confident	77.9	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-63.3	-23.7	176.9	62.2	163.6	0	0	0	113.7	L598 V647 L660 L661 G673 R677 F678 C679 I689	L598-I675 HydrophobicContact CD1-CG2 4.14Å; L598-I675 HydrophobicContact CD2-CG2 4.48Å; V647-I675 HydrophobicContact CG1-CG2 4.33Å; L660-I675 HydrophobicContact CG-CG2 4.43Å; L660-I675 WeakPolarHBondContact O-CG1 3.17Å; L660-I675 WeakPolarHBondContact O-CG2 3.39Å; L660-I675 PolarHBondContact O-N 3.39Å; L661-I675 HydrophobicContact CB-CD1 4.45Å; L661-I675 HydrophobicContact CD2-CD1 3.73Å; L661-I675 HydrophobicContact CD2-CG1 4.46Å; L661-I675 HydrophobicContact CD2-CG2 4.12Å; G673-I675 PolarHBondContact O-N 3.28Å; I675-R677 PolarHBondContact O-N 2.75Å; I675-F678 PolarHBondContact O-N 2.85Å; I675-C679 PolarHBondContact O-N 2.69Å; I675-C679 PolarHBondContact O-SG 3.26Å; I675-C679 VanDerWaalsContact O-SG 3.34Å; I675-I689 HydrophobicContact CD1-CD1 4.03Å; I675-I689 HydrophobicContact CD1-CG1 3.74Å
676	D	82	Confident	78.3	Confident	24 Å²	24	72.3 Å²	72.3	13%	0.128	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-67.2	-27.6	-173.2	-70.6	-31.6	0	0	0	112.7	R670 P672 G673 A674 F678 C679 R685	R670-D676 IonicContact CZ-OD1 2.67Å; R670-D676 IonicContact CZ-OD2 3.14Å; R670-D676 VanDerWaalsContact CZ-OD2 3.28Å; R670-D676 VanDerWaalsContact NH1-CG 3.27Å; R670-D676 IonicContact NH1-OD1 3.53Å; R670-D676 PolarHBondContact NH1-OD1 3.4Å; R670-D676 IonicContact NH1-OD2 2.71Å; R670-D676 PolarHBondContact NH1-OD2 3.27Å; R670-D676 VanDerWaalsContact NH2-CG 3.27Å; R670-D676 IonicContact NH2-OD1 3.12Å; R670-D676 PolarHBondContact NH2-OD1 2.8Å; R670-D676 IonicContact NH2-OD2 3.82Å; R670-D676 PolarHBondContact NH2-OD2 2.84Å; P672-D676 WeakPolarHBondContact CA-OD2 3.49Å; P672-D676 HydrophobicContact CB-CB 4.3Å; P672-D676 WeakPolarHBondContact CB-OD2 3.32Å; G673-D676 PolarHBondContact N-OD2 2.85Å; G673-D676 WeakPolarHBondContact O-CB 3.49Å; G673-D676 PolarHBondContact O-N 2.86Å; A674-D676 PolarHBondContact O-N 3.2Å; D676-F678 PolarHBondContact O-N 2.78Å; D676-C679 PolarHBondContact O-N 3.02Å; D676-R685 WeakPolarHBondContact OD1-CD 3.42Å; D676-R685 IonicContact OD1-CZ 2.84Å; D676-R685 IonicContact OD1-NE 2.76Å; D676-R685 PolarHBondContact OD1-NE 3.45Å
677	R	82.7	Confident	79.1	Confident	88 Å²	88	67 Å²	67	33%	0.332	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.1	-33.6	175.1	-177.4	177.5	172.6	-161.8	-1.5	112.3	D190 T194 L197 I675	D190-R677 PolarHBondContact O-NH2 2.81Å; D190-R677 IonicContact OD1-CZ 3.94Å; D190-R677 IonicContact OD1-NH1 2.95Å; D190-R677 PolarHBondContact OD1-NH1 3.46Å; D190-R677 IonicContact OD1-NH2 3.87Å; D190-R677 PolarHBondContact OD1-NH2 3.19Å; T194-R677 PolarHBondContact OG1-NH2 3.38Å; L197-R677 HydrophobicContact CD1-CG 4.14Å; I675-R677 PolarHBondContact O-N 2.75Å
678	F	79.9	Confident	79.9	Confident	12 Å²	12	61.4 Å²	61.4	5%	0.053	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-20.1	-175	-57.3	-68.7	0	0	0	113	L193 L197 L598 M599 Y602 F643 I675 D676 R680	L193-F678 HydrophobicContact CD1-CE1 4.27Å; L197-F678 HydrophobicContact CD1-CD1 3.94Å; L197-F678 HydrophobicContact CD1-CE1 4.2Å; L598-F678 HydrophobicContact CB-CD2 4.48Å; L598-F678 HydrophobicContact CB-CE2 3.73Å; L598-F678 HydrophobicContact CB-CZ 4.34Å; L598-F678 HydrophobicContact CD1-CE2 4.3Å; M599-F678 HydrophobicContact CB-CZ 4.39Å; M599-F678 HydrophobicContact CG-CZ 3.83Å; Y602-F678 AromaticContact CD1-CD1 3.89Å; Y602-F678 HydrophobicContact CD1-CD1 3.89Å; Y602-F678 HydrophobicContact CD1-CE1 4.22Å; Y602-F678 HydrophobicContact CD2-CB 3.64Å; Y602-F678 AromaticContact CD2-CD1 3.43Å; Y602-F678 HydrophobicContact CD2-CD1 3.43Å; Y602-F678 VanDerWaalsContact CD2-CD1 3.43Å; Y602-F678 HydrophobicContact CD2-CE1 4.37Å; Y602-F678 AromaticContact CD2-CG 3.78Å; Y602-F678 HydrophobicContact CD2-CG 3.78Å; Y602-F678 HydrophobicContact CE1-CD1 4.43Å; Y602-F678 HydrophobicContact CE2-CB 3.89Å; Y602-F678 HydrophobicContact CE2-CD1 4.01Å; Y602-F678 HydrophobicContact CE2-CG 4.38Å; Y602-F678 HydrophobicContact CG-CB 4.44Å; Y602-F678 AromaticContact CG-CD1 3.35Å; Y602-F678 HydrophobicContact CG-CD1 3.35Å; Y602-F678 AromaticContact CG-CE1 3.86Å; Y602-F678 HydrophobicContact CG-CE1 3.86Å; Y602-F678 HydrophobicContact CG-CG 4.1Å; F643-F678 HydrophobicContact CE1-CB 4.46Å; F643-F678 HydrophobicContact CZ-CB 4.11Å; F643-F678 HydrophobicContact CZ-CD2 4.33Å; F643-F678 HydrophobicContact CZ-CG 4.31Å; I675-F678 PolarHBondContact O-N 2.85Å; D676-F678 PolarHBondContact O-N 2.78Å; F678-R680 PolarHBondContact O-N 3.21Å
679	C	80.3	Confident	80.8	Confident	15 Å²	15	58.4 Å²	58.4	10%	0.101	29%	0.287	C	S	.	.			trans	-87.2	108.5	-179.8	-62.3	0	0	0	0	111.4	I675 D676 R685	I675-C679 PolarHBondContact O-N 2.69Å; I675-C679 PolarHBondContact O-SG 3.26Å; I675-C679 VanDerWaalsContact O-SG 3.34Å; D676-C679 PolarHBondContact O-N 3.02Å; C679-R685 HydrophobicContact CB-CB 3.86Å; C679-R685 PolarHBondContact O-NH2 3.48Å
680	R	74.8	Confident	81.2	Confident	201 Å²	201	54.3 Å²	54.3	76%	0.758	26%	0.264	S	S	*	.			trans	-70.7	-37	177.3	-65.5	-176.5	-178.8	169.8	-0.9	113.6	F678	F678-R680 PolarHBondContact O-N 3.21Å
681	S	79.4	Confident	81.5	Confident	38 Å²	38	53.8 Å²	53.8	27%	0.266	27%	0.266	S	S	.	.	S	Bend	trans	-111.5	157.2	-177.2	69.3	0	0	0	0	110.9	E683 S684 R685	S681-E683 VanDerWaalsContact C-N 3.32Å; S681-E683 WeakPolarHBondContact CB-OE2 3.07Å; S681-S684 WeakPolarHBondContact OG-CB 3.38Å; S681-S684 PolarHBondContact OG-N 3.2Å; S681-S684 PolarHBondContact OG-OG 3.48Å; S681-R685 PolarHBondContact O-N 3.46Å
682	V	78.9	Confident	81.6	Confident	62 Å²	62	47.3 Å²	47.3	38%	0.376	24%	0.238	S	C	.	.	H	α-helix	trans	-72.4	-33.9	177.5	177.9	0	0	0	0	110.3	R685 R686 C715	V682-R685 WeakPolarHBondContact O-CB 3.39Å; V682-R685 PolarHBondContact O-N 2.7Å; V682-R686 PolarHBondContact O-N 3.35Å; V682-C715 WeakPolarHBondContact CG1-O 3.45Å
683	E	79	Confident	81.8	Confident	121 Å²	121	42.4 Å²	42.4	57%	0.565	21%	0.205	S	C	*	.	H	α-helix	trans	-69.7	-43.8	-180	-60.1	71.3	-154.4	0	0	111.6	S681 R685 R686 E687	S681-E683 VanDerWaalsContact C-N 3.32Å; S681-E683 WeakPolarHBondContact CB-OE2 3.07Å; E683-R685 VanDerWaalsContact C-N 3.28Å; E683-R685 PolarHBondContact O-N 2.9Å; E683-R686 PolarHBondContact O-N 2.86Å; E683-E687 WeakPolarHBondContact O-CB 3.04Å; E683-E687 PolarHBondContact O-N 3.27Å
684	S	79.4	Confident	81.9	Confident	61 Å²	61	45.2 Å²	45.2	43%	0.427	22%	0.218	S	C	.	.	H	α-helix	trans	-65	-34.2	176.9	-64.7	0	0	0	0	111.9	S681 L688	S681-S684 WeakPolarHBondContact OG-CB 3.38Å; S681-S684 PolarHBondContact OG-N 3.2Å; S681-S684 PolarHBondContact OG-OG 3.48Å; S684-L688 WeakPolarHBondContact O-CB 3.34Å; S684-L688 PolarHBondContact O-N 2.95Å
685	R	82.5	Confident	81.9	Confident	41 Å²	41	45.8 Å²	45.8	16%	0.155	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-51	173.6	178.6	-171.8	-62.2	114.8	9.8	111.6	D676 C679 S681 V682 E683 E687 L688 I689	D676-R685 WeakPolarHBondContact OD1-CD 3.42Å; D676-R685 IonicContact OD1-CZ 2.84Å; D676-R685 IonicContact OD1-NE 2.76Å; D676-R685 PolarHBondContact OD1-NE 3.45Å; C679-R685 HydrophobicContact CB-CB 3.86Å; C679-R685 PolarHBondContact O-NH2 3.48Å; S681-R685 PolarHBondContact O-N 3.46Å; V682-R685 WeakPolarHBondContact O-CB 3.39Å; V682-R685 PolarHBondContact O-N 2.7Å; E683-R685 VanDerWaalsContact C-N 3.28Å; E683-R685 PolarHBondContact O-N 2.9Å; R685-E687 PolarHBondContact O-N 3.36Å; R685-L688 PolarHBondContact O-N 3.39Å; R685-I689 HydrophobicContact CG-CD1 4.03Å; R685-I689 WeakPolarHBondContact O-CG1 3.3Å; R685-I689 PolarHBondContact O-N 2.68Å
686	R	82	Confident	81.9	Confident	57 Å²	57	46 Å²	46	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-57.9	-41.7	178.3	-178.6	-170.9	59.6	107.9	4.4	110.7	V682 E683 R690 C715	V682-R686 PolarHBondContact O-N 3.35Å; E683-R686 PolarHBondContact O-N 2.86Å; R686-R690 WeakPolarHBondContact O-CB 3.3Å; R686-R690 PolarHBondContact O-N 3.02Å; R686-C715 HydrophobicContact CB-CB 4.08Å
687	E	82.2	Confident	81.9	Confident	70 Å²	70	48.6 Å²	48.6	33%	0.327	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-46.2	178.1	-170.2	61	-168.1	0	0	112.2	E683 R685 I689 R690 T691	E683-E687 WeakPolarHBondContact O-CB 3.04Å; E683-E687 PolarHBondContact O-N 3.27Å; R685-E687 PolarHBondContact O-N 3.36Å; E687-I689 PolarHBondContact O-N 3.47Å; E687-R690 WeakPolarHBondContact O-CB 3.29Å; E687-R690 PolarHBondContact O-N 3.19Å; E687-R690 IonicContact OE2-CZ 3.18Å; E687-R690 IonicContact OE2-NH1 3.67Å; E687-R690 PolarHBondContact OE2-NH1 3.32Å; E687-T691 PolarHBondContact O-N 3.13Å; E687-T691 PolarHBondContact O-OG1 3.34Å
688	L	83.5	Confident	81.9	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-48.7	177.6	-164.8	166.7	0	0	0	111.4	F643 V644 V647 S684 R685 R690 T691 V692	F643-L688 HydrophobicContact CD1-CD1 4.27Å; F643-L688 HydrophobicContact CE1-CD1 3.74Å; V644-L688 HydrophobicContact CG1-CG 4.44Å; V644-L688 HydrophobicContact CG2-CG 4.41Å; V647-L688 HydrophobicContact CB-CD2 4.31Å; V647-L688 HydrophobicContact CG1-CD2 3.76Å; S684-L688 WeakPolarHBondContact O-CB 3.34Å; S684-L688 PolarHBondContact O-N 2.95Å; R685-L688 PolarHBondContact O-N 3.39Å; L688-R690 VanDerWaalsContact C-N 3.27Å; L688-R690 PolarHBondContact O-N 3.4Å; L688-T691 PolarHBondContact O-N 2.86Å; L688-V692 HydrophobicContact CD2-CG2 3.94Å; L688-V692 WeakPolarHBondContact O-CG2 3.29Å; L688-V692 PolarHBondContact O-N 3.23Å
689	I	85.6	Confident	81.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-38.5	178.8	-62	169.4	0	0	0	110.8	L661 I675 R685 E687 V692 A693 L708 L711 A712	L661-I689 HydrophobicContact CD2-CG1 4.48Å; I675-I689 HydrophobicContact CD1-CD1 4.03Å; I675-I689 HydrophobicContact CD1-CG1 3.74Å; R685-I689 HydrophobicContact CG-CD1 4.03Å; R685-I689 WeakPolarHBondContact O-CG1 3.3Å; R685-I689 PolarHBondContact O-N 2.68Å; E687-I689 PolarHBondContact O-N 3.47Å; I689-V692 PolarHBondContact O-N 3.4Å; I689-A693 PolarHBondContact O-N 3.34Å; I689-L708 WeakPolarHBondContact CG2-O 3.47Å; I689-L711 HydrophobicContact CD1-CD2 4.33Å; I689-L711 HydrophobicContact CD1-CG 4.34Å; I689-L711 HydrophobicContact CG2-CB 4.49Å; I689-L711 HydrophobicContact CG2-CD2 4.16Å; I689-L711 HydrophobicContact CG2-CG 4.38Å; I689-A712 HydrophobicContact CB-CB 4.31Å; I689-A712 HydrophobicContact CG2-CB 3.9Å
690	R	84.9	Confident	81.5	Confident	32 Å²	32	51.8 Å²	51.8	12%	0.121	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-47.9	175	-176.1	-176.5	-64.3	91	15.1	111.6	R686 E687 L688 V692 A693 D694 Y709 D721	R686-R690 WeakPolarHBondContact O-CB 3.3Å; R686-R690 PolarHBondContact O-N 3.02Å; E687-R690 WeakPolarHBondContact O-CB 3.29Å; E687-R690 PolarHBondContact O-N 3.19Å; E687-R690 IonicContact OE2-CZ 3.18Å; E687-R690 IonicContact OE2-NH1 3.67Å; E687-R690 PolarHBondContact OE2-NH1 3.32Å; L688-R690 VanDerWaalsContact C-N 3.27Å; L688-R690 PolarHBondContact O-N 3.4Å; R690-V692 VanDerWaalsContact C-N 3.26Å; R690-V692 PolarHBondContact O-N 2.84Å; R690-A693 CarbonylContact O-C 3.52Å; R690-A693 WeakPolarHBondContact O-CA 3.35Å; R690-A693 WeakPolarHBondContact O-CB 3.45Å; R690-A693 PolarHBondContact O-N 2.91Å; R690-D694 VanDerWaalsContact O-CG 3.26Å; R690-D694 PolarHBondContact O-N 3.47Å; R690-Y709 HydrophobicContact CG-CE1 4.19Å; R690-D721 IonicContact CZ-OD1 3.58Å; R690-D721 VanDerWaalsContact CZ-OD1 3.25Å; R690-D721 IonicContact CZ-OD2 3.54Å; R690-D721 IonicContact NE-OD1 3.79Å; R690-D721 PolarHBondContact NE-OD1 3.35Å; R690-D721 IonicContact NH2-OD1 2.59Å; R690-D721 PolarHBondContact NH2-OD1 2.91Å; R690-D721 IonicContact NH2-OD2 3.5Å; R690-D721 PolarHBondContact NH2-OD2 3.15Å
691	T	84.6	Confident	81.7	Confident	30 Å²	30	45.7 Å²	45.7	18%	0.184	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-39.2	177.8	-50.5	0	0	0	0	111.7	V644 E687 L688 D694 V695	V644-T691 HydrophobicContact CG1-CG2 3.83Å; E687-T691 PolarHBondContact O-N 3.13Å; E687-T691 PolarHBondContact O-OG1 3.34Å; L688-T691 PolarHBondContact O-N 2.86Å; T691-D694 PolarHBondContact O-N 3.46Å; T691-V695 WeakPolarHBondContact O-CG2 3.44Å; T691-V695 PolarHBondContact O-N 2.93Å; T691-V695 VanDerWaalsContact O-N 3.09Å
692	V	85.2	Confident	81.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-43.9	173.4	179.9	0	0	0	0	110.5	V647 A651 L661 L688 I689 R690 D694 V695 F696 L708	V647-V692 HydrophobicContact CG1-CG2 4.27Å; A651-V692 HydrophobicContact CB-CG1 3.68Å; L661-V692 HydrophobicContact CD1-CG1 4.14Å; L688-V692 HydrophobicContact CD2-CG2 3.94Å; L688-V692 WeakPolarHBondContact O-CG2 3.29Å; L688-V692 PolarHBondContact O-N 3.23Å; I689-V692 PolarHBondContact O-N 3.4Å; R690-V692 VanDerWaalsContact C-N 3.26Å; R690-V692 PolarHBondContact O-N 2.84Å; V692-D694 PolarHBondContact O-N 3Å; V692-V695 PolarHBondContact O-N 3.44Å; V692-F696 HydrophobicContact CG1-CD2 3.83Å; V692-F696 HydrophobicContact CG1-CE2 3.79Å; V692-F696 VanDerWaalsContact O-CD2 3.28Å; V692-F696 WeakPolarHBondContact O-CD2 3.41Å; V692-F696 PolarHBondContact O-N 3.3Å; V692-L708 HydrophobicContact CG1-CD1 3.92Å
693	A	83.3	Confident	81.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-42.8	176.6	0	0	0	0	0	112.6	I689 R690 V695 F696 E697 L708 Y709	I689-A693 PolarHBondContact O-N 3.34Å; R690-A693 CarbonylContact O-C 3.52Å; R690-A693 WeakPolarHBondContact O-CA 3.35Å; R690-A693 WeakPolarHBondContact O-CB 3.45Å; R690-A693 PolarHBondContact O-N 2.91Å; A693-V695 VanDerWaalsContact C-N 3.29Å; A693-V695 PolarHBondContact O-N 3.27Å; A693-F696 PolarHBondContact O-N 3.49Å; A693-E697 PolarHBondContact O-N 2.9Å; A693-L708 HydrophobicContact CB-CB 3.7Å; A693-L708 HydrophobicContact CB-CD1 4.49Å; A693-Y709 HydrophobicContact CB-CD1 3.73Å; A693-Y709 HydrophobicContact CB-CD2 4.1Å; A693-Y709 HydrophobicContact CB-CE1 3.62Å; A693-Y709 HydrophobicContact CB-CE2 4.01Å; A693-Y709 HydrophobicContact CB-CG 3.97Å
694	D	84.6	Confident	81.9	Confident	70 Å²	70	42.2 Å²	42.2	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-59	-41.8	176.4	-61.9	-35.1	0	0	0	110.7	R690 T691 V692 E697 S698 Y709	R690-D694 VanDerWaalsContact O-CG 3.26Å; R690-D694 PolarHBondContact O-N 3.47Å; T691-D694 PolarHBondContact O-N 3.46Å; V692-D694 PolarHBondContact O-N 3Å; D694-E697 PolarHBondContact O-N 2.97Å; D694-S698 PolarHBondContact O-N 3.49Å; D694-Y709 PolarHBondContact OD1-OH 3.39Å
695	V	82.7	Confident	82	Confident	29 Å²	29	39.3 Å²	39.3	18%	0.176	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-43.2	176.3	172.3	0	0	0	0	111.1	L161 C648 L652 T691 V692 A693 E697 S698 T699	L161-V695 HydrophobicContact CD1-CG1 4.1Å; C648-V695 HydrophobicContact CB-CG1 4.46Å; C648-V695 HydrophobicContact CB-CG2 4.28Å; L652-V695 HydrophobicContact CD1-CG1 3.6Å; L652-V695 HydrophobicContact CD2-CG1 4.34Å; L652-V695 HydrophobicContact CG-CG1 4.15Å; T691-V695 WeakPolarHBondContact O-CG2 3.44Å; T691-V695 PolarHBondContact O-N 2.93Å; T691-V695 VanDerWaalsContact O-N 3.09Å; V692-V695 PolarHBondContact O-N 3.44Å; A693-V695 VanDerWaalsContact C-N 3.29Å; A693-V695 PolarHBondContact O-N 3.27Å; V695-E697 VanDerWaalsContact C-N 3.31Å; V695-E697 PolarHBondContact O-N 3.49Å; V695-S698 WeakPolarHBondContact CA-OG 3.38Å; V695-S698 PolarHBondContact O-N 2.67Å; V695-S698 PolarHBondContact O-OG 2.82Å; V695-T699 WeakPolarHBondContact O-CG2 3.39Å; V695-T699 PolarHBondContact O-N 2.63Å; V695-T699 PolarHBondContact O-OG1 3.07Å
696	F	82.6	Confident	82	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-36.5	174.9	-90.2	-105	0	0	0	112.7	A651 L652 L657 V692 A693 T699 G700 Q701 E704 A705 L708	A651-F696 HydrophobicContact CB-CE2 3.85Å; A651-F696 HydrophobicContact CB-CZ 4.34Å; A651-F696 WeakPolarHBondContact O-CZ 3.25Å; L652-F696 HydrophobicContact CD2-CD1 4.34Å; L652-F696 HydrophobicContact CD2-CD2 3.78Å; L652-F696 HydrophobicContact CD2-CE1 4.21Å; L652-F696 HydrophobicContact CD2-CE2 3.65Å; L652-F696 HydrophobicContact CD2-CG 4.16Å; L652-F696 HydrophobicContact CD2-CZ 3.89Å; L652-F696 HydrophobicContact CG-CD2 4.39Å; L652-F696 HydrophobicContact CG-CE2 3.98Å; L652-F696 HydrophobicContact CG-CZ 4.41Å; L657-F696 HydrophobicContact CD1-CE1 4.1Å; L657-F696 HydrophobicContact CD1-CZ 4.06Å; L657-F696 HydrophobicContact CD2-CZ 3.99Å; V692-F696 HydrophobicContact CG1-CD2 3.83Å; V692-F696 HydrophobicContact CG1-CE2 3.79Å; V692-F696 VanDerWaalsContact O-CD2 3.28Å; V692-F696 WeakPolarHBondContact O-CD2 3.41Å; V692-F696 PolarHBondContact O-N 3.3Å; A693-F696 PolarHBondContact O-N 3.49Å; F696-T699 WeakPolarHBondContact CA-OG1 3.13Å; F696-T699 PolarHBondContact O-N 2.71Å; F696-T699 PolarHBondContact O-OG1 2.97Å; F696-G700 PolarHBondContact O-N 2.68Å; F696-Q701 HydrophobicContact CD1-CB 3.85Å; F696-Q701 PolarHBondContact O-N 3.22Å; F696-E704 HydrophobicContact CD1-CB 3.74Å; F696-E704 HydrophobicContact CE1-CB 4.09Å; F696-A705 HydrophobicContact CB-CB 4.01Å; F696-L708 HydrophobicContact CB-CD1 4.44Å; F696-L708 HydrophobicContact CD2-CD1 3.97Å; F696-L708 HydrophobicContact CE2-CD1 4.34Å; F696-L708 HydrophobicContact CG-CD1 4.07Å
697	E	82.8	Confident	82	Confident	79 Å²	79	39 Å²	39	37%	0.369	22%	0.217	S	C	.	.	H	α-helix	trans	-64.4	-46	172.9	-177.4	176.3	172.7	0	0	111	A693 D694 V695 T699 G700 A705 Y709 L728	A693-E697 PolarHBondContact O-N 2.9Å; D694-E697 PolarHBondContact O-N 2.97Å; V695-E697 VanDerWaalsContact C-N 3.31Å; V695-E697 PolarHBondContact O-N 3.49Å; E697-T699 VanDerWaalsContact C-N 3.29Å; E697-T699 PolarHBondContact O-N 2.79Å; E697-G700 PolarHBondContact O-N 2.9Å; E697-A705 HydrophobicContact CB-CB 4.15Å; E697-Y709 PolarHBondContact OE2-OH 3.29Å; E697-L728 HydrophobicContact CB-CD2 4.46Å; E697-L728 HydrophobicContact CG-CD2 3.9Å
698	S	80.7	Confident	82.1	Confident	85 Å²	85	36 Å²	36	59%	0.594	20%	0.203	S	C	*	.	H	α-helix	trans	-63.3	-32.7	178.8	75.8	0	0	0	0	113.4	D694 V695 G700	D694-S698 PolarHBondContact O-N 3.49Å; V695-S698 WeakPolarHBondContact CA-OG 3.38Å; V695-S698 PolarHBondContact O-N 2.67Å; V695-S698 PolarHBondContact O-OG 2.82Å; S698-G700 VanDerWaalsContact C-N 3.26Å; S698-G700 PolarHBondContact O-N 2.64Å
699	T	78.6	Confident	82.1	Confident	52 Å²	52	35.8 Å²	35.8	32%	0.319	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.6	175.8	57.1	0	0	0	0	113.2	L161 L652 V695 F696 E697	L161-T699 HydrophobicContact CD1-CG2 4.42Å; L161-T699 HydrophobicContact CG-CG2 4.18Å; L652-T699 HydrophobicContact CD1-CG2 4.25Å; L652-T699 HydrophobicContact CD2-CG2 3.99Å; V695-T699 WeakPolarHBondContact O-CG2 3.39Å; V695-T699 PolarHBondContact O-N 2.63Å; V695-T699 PolarHBondContact O-OG1 3.07Å; F696-T699 WeakPolarHBondContact CA-OG1 3.13Å; F696-T699 PolarHBondContact O-N 2.71Å; F696-T699 PolarHBondContact O-OG1 2.97Å; E697-T699 VanDerWaalsContact C-N 3.29Å; E697-T699 PolarHBondContact O-N 2.79Å
700	G	74.5	Confident	81.9	Confident	46 Å²	46	36.6 Å²	36.6	47%	0.474	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	5.3	178.4	0	0	0	0	0	115.1	F696 E697 S698 V702	F696-G700 PolarHBondContact O-N 2.68Å; E697-G700 PolarHBondContact O-N 2.9Å; S698-G700 VanDerWaalsContact C-N 3.26Å; S698-G700 PolarHBondContact O-N 2.64Å; G700-V702 PolarHBondContact O-N 3.46Å
701	Q	79.7	Confident	81.7	Confident	73 Å²	73	35.5 Å²	35.5	34%	0.341	20%	0.203	S	C	.	.			trans	-82	69	173.4	-68.2	-170.5	45.3	0	0	110.8	F696 V703 E704 A705	F696-Q701 HydrophobicContact CD1-CB 3.85Å; F696-Q701 PolarHBondContact O-N 3.22Å; Q701-V703 PolarHBondContact O-N 2.66Å; Q701-E704 HydrophobicContact CB-CB 4.38Å; Q701-A705 WeakPolarHBondContact O-CB 3.31Å; Q701-A705 PolarHBondContact O-N 3.33Å
702	V	79.4	Confident	81.4	Confident	42 Å²	42	34.1 Å²	34.1	26%	0.255	19%	0.194	S	C	.	.	H	α-helix	trans	-65.6	-35.1	-170.7	179.5	0	0	0	0	112.9	G700 A705 I706 L728 V732	G700-V702 PolarHBondContact O-N 3.46Å; V702-A705 PolarHBondContact O-N 3.42Å; V702-I706 HydrophobicContact CG1-CD1 3.95Å; V702-I706 HydrophobicContact CG1-CG1 4.42Å; V702-I706 WeakPolarHBondContact O-CD1 3.48Å; V702-I706 WeakPolarHBondContact O-CG1 3.5Å; V702-I706 PolarHBondContact O-N 3.06Å; V702-L728 HydrophobicContact CG1-CB 4.07Å; V702-L728 HydrophobicContact CG1-CD2 3.81Å; V702-L728 HydrophobicContact CG1-CG 4.3Å; V702-V732 HydrophobicContact CB-CG2 4.13Å; V702-V732 HydrophobicContact CG1-CG2 3.4Å; V702-V732 VanDerWaalsContact CG1-CG2 3.4Å
703	V	79.6	Confident	81.2	Confident	32 Å²	32	34.3 Å²	34.3	19%	0.194	20%	0.196	C	C	.	.	H	α-helix	trans	-68.6	-46.8	-177.8	178.1	0	0	0	0	110.6	Q701 I706 H707 L756 L764	Q701-V703 PolarHBondContact O-N 2.66Å; V703-I706 PolarHBondContact O-N 2.77Å; V703-H707 PolarHBondContact O-N 3.42Å; V703-H707 VanDerWaalsContact O-N 3.15Å; V703-H707 PolarHBondContact O-ND1 3.38Å; V703-L756 HydrophobicContact CG2-CD2 3.63Å; V703-L764 HydrophobicContact CG1-CD2 4.24Å
704	E	81.9	Confident	80.8	Confident	74 Å²	74	35.8 Å²	35.8	35%	0.346	21%	0.206	S	C	.	.	H	α-helix	trans	-62.8	-44.3	174.9	-68.6	70	-155.1	0	0	110.8	F696 Q701 I706 H707 L708	F696-E704 HydrophobicContact CD1-CB 3.74Å; F696-E704 HydrophobicContact CE1-CB 4.09Å; Q701-E704 HydrophobicContact CB-CB 4.38Å; E704-I706 VanDerWaalsContact C-N 3.3Å; E704-I706 PolarHBondContact O-N 3.42Å; E704-H707 PolarHBondContact O-N 3.4Å; E704-H707 VanDerWaalsContact O-N 3.13Å; E704-L708 WeakPolarHBondContact O-CG 3.4Å; E704-L708 PolarHBondContact O-N 3.26Å
705	A	82.2	Confident	80	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-55.9	-43.8	174.6	0	0	0	0	0	111.9	F696 E697 Q701 V702 H707 L708 Y709 L728	F696-A705 HydrophobicContact CB-CB 4.01Å; E697-A705 HydrophobicContact CB-CB 4.15Å; Q701-A705 WeakPolarHBondContact O-CB 3.31Å; Q701-A705 PolarHBondContact O-N 3.33Å; V702-A705 PolarHBondContact O-N 3.42Å; A705-H707 PolarHBondContact O-N 3.19Å; A705-L708 PolarHBondContact O-N 3.09Å; A705-Y709 HydrophobicContact CB-CE2 4.32Å; A705-Y709 WeakPolarHBondContact O-CD2 3.34Å; A705-Y709 PolarHBondContact O-N 2.78Å; A705-L728 HydrophobicContact CB-CD2 4.35Å
706	I	81.8	Confident	79.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-47.4	176	-69.3	160.8	0	0	0	111	V702 V703 E704 L708 Y709 L710 L728 I729 L764 I768	V702-I706 HydrophobicContact CG1-CD1 3.95Å; V702-I706 HydrophobicContact CG1-CG1 4.42Å; V702-I706 WeakPolarHBondContact O-CD1 3.48Å; V702-I706 WeakPolarHBondContact O-CG1 3.5Å; V702-I706 PolarHBondContact O-N 3.06Å; V703-I706 PolarHBondContact O-N 2.77Å; E704-I706 VanDerWaalsContact C-N 3.3Å; E704-I706 PolarHBondContact O-N 3.42Å; I706-L708 VanDerWaalsContact C-N 3.28Å; I706-L708 PolarHBondContact O-N 3.49Å; I706-Y709 PolarHBondContact O-N 3.29Å; I706-L710 HydrophobicContact CG2-CD1 4.07Å; I706-L710 HydrophobicContact CG2-CG 4.48Å; I706-L710 VanDerWaalsContact O-CG 3.29Å; I706-L710 WeakPolarHBondContact O-CG 3.34Å; I706-L710 PolarHBondContact O-N 2.91Å; I706-L728 HydrophobicContact CD1-CB 3.97Å; I706-L728 HydrophobicContact CG1-CB 3.7Å; I706-L728 HydrophobicContact CG1-CD2 4.36Å; I706-I729 HydrophobicContact CD1-CB 4.02Å; I706-I729 HydrophobicContact CD1-CD1 3.93Å; I706-L764 HydrophobicContact CB-CD2 4.37Å; I706-L764 HydrophobicContact CG2-CD1 4.33Å; I706-L764 HydrophobicContact CG2-CD2 3.89Å; I706-L764 HydrophobicContact CG2-CG 4.3Å; I706-I768 HydrophobicContact CG2-CD1 3.73Å
707	H	82.9	Confident	78.6	Confident	90 Å²	90	39.5 Å²	39.5	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-59.7	-39.5	176.9	-65.1	139.7	0	0	0	112.1	V703 E704 A705 L710 L711 L764	V703-H707 PolarHBondContact O-N 3.42Å; V703-H707 VanDerWaalsContact O-N 3.15Å; V703-H707 PolarHBondContact O-ND1 3.38Å; E704-H707 PolarHBondContact O-N 3.4Å; E704-H707 VanDerWaalsContact O-N 3.13Å; A705-H707 PolarHBondContact O-N 3.19Å; H707-L710 PolarHBondContact O-N 3.03Å; H707-L711 WeakPolarHBondContact O-CB 3.29Å; H707-L711 PolarHBondContact O-N 3.47Å; H707-L764 WeakPolarHBondContact NE2-CD1 3.45Å
708	L	83	Confident	77.8	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-69.1	-40.1	178.6	-66.4	-179.4	0	0	0	112.9	L657 L661 I689 V692 A693 F696 E704 A705 I706 L710 L711 A712	L657-L708 HydrophobicContact CD1-CD1 4.38Å; L657-L708 HydrophobicContact CD1-CD2 4.29Å; L661-L708 HydrophobicContact CD1-CD1 4.4Å; L661-L708 HydrophobicContact CD1-CD2 3.41Å; L661-L708 VanDerWaalsContact CD1-CD2 3.41Å; I689-L708 WeakPolarHBondContact CG2-O 3.47Å; V692-L708 HydrophobicContact CG1-CD1 3.92Å; A693-L708 HydrophobicContact CB-CB 3.7Å; A693-L708 HydrophobicContact CB-CD1 4.49Å; F696-L708 HydrophobicContact CB-CD1 4.44Å; F696-L708 HydrophobicContact CD2-CD1 3.97Å; F696-L708 HydrophobicContact CE2-CD1 4.34Å; F696-L708 HydrophobicContact CG-CD1 4.07Å; E704-L708 WeakPolarHBondContact O-CG 3.4Å; E704-L708 PolarHBondContact O-N 3.26Å; A705-L708 PolarHBondContact O-N 3.09Å; I706-L708 VanDerWaalsContact C-N 3.28Å; I706-L708 PolarHBondContact O-N 3.49Å; L708-L710 VanDerWaalsContact C-N 3.32Å; L708-L710 PolarHBondContact O-N 2.93Å; L708-L711 HydrophobicContact CD2-CD2 4.38Å; L708-L711 WeakPolarHBondContact O-CB 3.44Å; L708-L711 PolarHBondContact O-N 3.03Å; L708-A712 PolarHBondContact O-N 2.94Å
709	Y	82.9	Confident	77.2	Confident	6 Å²	6	40.2 Å²	40.2	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-38.3	171.8	-72.8	-59.6	0	0	0	111.8	R690 A693 D694 E697 A705 I706 L711 A712 S713 D721 V724 S725 L728	R690-Y709 HydrophobicContact CG-CE1 4.19Å; A693-Y709 HydrophobicContact CB-CD1 3.73Å; A693-Y709 HydrophobicContact CB-CD2 4.1Å; A693-Y709 HydrophobicContact CB-CE1 3.62Å; A693-Y709 HydrophobicContact CB-CE2 4.01Å; A693-Y709 HydrophobicContact CB-CG 3.97Å; D694-Y709 PolarHBondContact OD1-OH 3.39Å; E697-Y709 PolarHBondContact OE2-OH 3.29Å; A705-Y709 HydrophobicContact CB-CE2 4.32Å; A705-Y709 WeakPolarHBondContact O-CD2 3.34Å; A705-Y709 PolarHBondContact O-N 2.78Å; I706-Y709 PolarHBondContact O-N 3.29Å; Y709-L711 VanDerWaalsContact C-N 3.29Å; Y709-L711 PolarHBondContact O-N 3Å; Y709-A712 PolarHBondContact O-N 2.82Å; Y709-S713 PolarHBondContact O-N 2.98Å; Y709-D721 WeakPolarHBondContact O-CB 3.4Å; Y709-V724 HydrophobicContact CD1-CG1 4.15Å; Y709-V724 HydrophobicContact CD2-CG1 3.79Å; Y709-V724 HydrophobicContact CE1-CG1 3.88Å; Y709-V724 HydrophobicContact CE2-CG1 3.49Å; Y709-V724 VanDerWaalsContact CE2-CG1 3.49Å; Y709-V724 HydrophobicContact CG-CG1 4.11Å; Y709-S725 WeakPolarHBondContact CB-OG 3.2Å; Y709-L728 HydrophobicContact CE2-CD1 4.47Å; Y709-L728 HydrophobicContact CE2-CD2 4.26Å
710	L	81.3	Confident	76.7	Confident	17 Å²	17	40.6 Å²	40.6	9%	0.089	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-34.6	174	-69	171.7	0	0	0	112.4	I706 H707 L708 S713 S714 L764 I768 K771	I706-L710 HydrophobicContact CG2-CD1 4.07Å; I706-L710 HydrophobicContact CG2-CG 4.48Å; I706-L710 VanDerWaalsContact O-CG 3.29Å; I706-L710 WeakPolarHBondContact O-CG 3.34Å; I706-L710 PolarHBondContact O-N 2.91Å; H707-L710 PolarHBondContact O-N 3.03Å; L708-L710 VanDerWaalsContact C-N 3.32Å; L708-L710 PolarHBondContact O-N 2.93Å; L710-S713 WeakPolarHBondContact O-CB 3.47Å; L710-S714 PolarHBondContact O-N 3.33Å; L710-S714 PolarHBondContact O-OG 2.94Å; L710-L764 HydrophobicContact CD1-CD1 3.98Å; L710-I768 HydrophobicContact CD1-CD1 4.16Å; L710-I768 HydrophobicContact CD1-CG1 3.75Å; L710-I768 HydrophobicContact CD2-CG1 4.08Å; L710-I768 HydrophobicContact CG-CG1 4.47Å; L710-K771 HydrophobicContact CD2-CD 4.35Å; L710-K771 PolarHBondContact O-NZ 3.21Å
711	L	80.9	Confident	76.7	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.052	21%	0.211	C	C	.	.	H	α-helix	trans	-68.7	-41.7	173	-179.4	69.4	0	0	0	111.9	L661 G662 V664 R670 I689 H707 L708 Y709 S713 S714	L661-L711 HydrophobicContact CB-CD2 3.79Å; G662-L711 VanDerWaalsContact O-CD2 3.32Å; G662-L711 WeakPolarHBondContact O-CD2 3.37Å; V664-L711 HydrophobicContact CG2-CB 4.49Å; V664-L711 HydrophobicContact CG2-CD1 3.54Å; R670-L711 HydrophobicContact CG-CD1 3.93Å; I689-L711 HydrophobicContact CD1-CD2 4.33Å; I689-L711 HydrophobicContact CD1-CG 4.34Å; I689-L711 HydrophobicContact CG2-CB 4.49Å; I689-L711 HydrophobicContact CG2-CD2 4.16Å; I689-L711 HydrophobicContact CG2-CG 4.38Å; H707-L711 WeakPolarHBondContact O-CB 3.29Å; H707-L711 PolarHBondContact O-N 3.47Å; L708-L711 HydrophobicContact CD2-CD2 4.38Å; L708-L711 WeakPolarHBondContact O-CB 3.44Å; L708-L711 PolarHBondContact O-N 3.03Å; Y709-L711 VanDerWaalsContact C-N 3.29Å; Y709-L711 PolarHBondContact O-N 3Å; L711-S713 VanDerWaalsContact C-N 3.29Å; L711-S713 PolarHBondContact O-N 3.31Å; L711-S714 PolarHBondContact O-N 3.41Å
712	A	79.5	Confident	76.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-40	174.9	0	0	0	0	0	111.3	I689 L708 Y709 S714 C715 D721	I689-A712 HydrophobicContact CB-CB 4.31Å; I689-A712 HydrophobicContact CG2-CB 3.9Å; L708-A712 PolarHBondContact O-N 2.94Å; Y709-A712 PolarHBondContact O-N 2.82Å; A712-S714 PolarHBondContact O-N 3.1Å; A712-C715 WeakPolarHBondContact O-CB 3.44Å; A712-C715 PolarHBondContact O-N 2.91Å; A712-D721 HydrophobicContact CB-CB 4.4Å
713	S	80.1	Confident	76.2	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.028	20%	0.196	C	C	.	.	H	α-helix	trans	-57.9	-33.3	175.4	160.2	0	0	0	0	113.4	Y709 L710 L711 C715 P718 I722	Y709-S713 PolarHBondContact O-N 2.98Å; L710-S713 WeakPolarHBondContact O-CB 3.47Å; L711-S713 VanDerWaalsContact C-N 3.29Å; L711-S713 PolarHBondContact O-N 3.31Å; S713-C715 VanDerWaalsContact C-N 3.25Å; S713-C715 PolarHBondContact O-N 2.73Å; S713-P718 WeakPolarHBondContact OG-CA 3.29Å; S713-P718 WeakPolarHBondContact OG-CB 3.37Å; S713-I722 WeakPolarHBondContact OG-CD1 3.22Å; S713-I722 VanDerWaalsContact OG-CG1 3.29Å; S713-I722 WeakPolarHBondContact OG-CG1 3.1Å
714	S	76.2	Confident	76.1	Confident	32 Å²	32	36.3 Å²	36.3	22%	0.224	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.3	179.7	-55.6	0	0	0	0	112.6	D668 L710 L711 A712 K771	D668-S714 PolarHBondContact OD1-OG 3.43Å; L710-S714 PolarHBondContact O-N 3.33Å; L710-S714 PolarHBondContact O-OG 2.94Å; L711-S714 PolarHBondContact O-N 3.41Å; A712-S714 PolarHBondContact O-N 3.1Å; S714-K771 PolarHBondContact OG-NZ 2.76Å
715	C	66.9	Low	75.9	Confident	18 Å²	18	32.8 Å²	32.8	12%	0.122	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-23.8	179.2	-65.8	0	0	0	0	113.2	R670 V682 R686 A712 S713	R670-C715 VanDerWaalsContact CD-SG 3.59Å; V682-C715 WeakPolarHBondContact CG1-O 3.45Å; R686-C715 HydrophobicContact CB-CB 4.08Å; A712-C715 WeakPolarHBondContact O-CB 3.44Å; A712-C715 PolarHBondContact O-N 2.91Å; S713-C715 VanDerWaalsContact C-N 3.25Å; S713-C715 PolarHBondContact O-N 2.73Å
716	G	69.3	Low	75.6	Confident	38 Å²	38	32.9 Å²	32.9	39%	0.392	19%	0.185	S	C	.	.	S	Bend	trans	-160.8	-135.7	-174.4	0	0	0	0	0	112.3	P718	G716-P718 VanDerWaalsContact O-CD 3.25Å; G716-P718 WeakPolarHBondContact O-CD 3.41Å
717	D	67.5	Low	75.4	Confident	125 Å²	125	36 Å²	36	67%	0.668	20%	0.204	S	C	*	.			trans	-64	116	175.2	-75.8	-40.1	0	0	0	110.3	K719 P720	D717-K719 VanDerWaalsContact C-N 3.31Å; D717-K719 PolarHBondContact O-N 3.13Å; D717-P720 WeakPolarHBondContact O-CD 3.19Å
718	P	65.9	Low	75.1	Confident	34 Å²	34	32.3 Å²	32.3	22%	0.221	19%	0.187	C	C	.	.	H	α-helix	trans	-78.3	-18.4	-170.9	30.8	-36.1	0	0	0	113	S713 G716 I722 L775	S713-P718 WeakPolarHBondContact OG-CA 3.29Å; S713-P718 WeakPolarHBondContact OG-CB 3.37Å; G716-P718 VanDerWaalsContact O-CD 3.25Å; G716-P718 WeakPolarHBondContact O-CD 3.41Å; P718-I722 HydrophobicContact CB-CD1 3.76Å; P718-I722 HydrophobicContact CB-CG1 4.46Å; P718-I722 WeakPolarHBondContact O-CB 3.29Å; P718-I722 WeakPolarHBondContact O-CG1 3.29Å; P718-I722 PolarHBondContact O-N 3.3Å; P718-I722 VanDerWaalsContact O-N 3.09Å; P718-L775 HydrophobicContact CB-CD1 4.04Å; P718-L775 HydrophobicContact CG-CD1 4.2Å; P718-L775 HydrophobicContact CG-CD2 4.31Å
719	K	66.6	Low	75	Confident	145 Å²	145	32 Å²	32	63%	0.63	19%	0.186	S	C	*	.	H	α-helix	trans	-58.5	-52.1	-169.6	-66.2	-176.2	179.8	179.1	0	114.9	D717 L723 L777	D717-K719 VanDerWaalsContact C-N 3.31Å; D717-K719 PolarHBondContact O-N 3.13Å; K719-L723 WeakPolarHBondContact O-CB 3.46Å; K719-L723 PolarHBondContact O-N 2.96Å; K719-L777 HydrophobicContact CG-CD2 4.07Å
720	P	69.3	Low	74.8	Confident	60 Å²	60	31.8 Å²	31.8	39%	0.39	19%	0.185	S	C	.	.	H	α-helix	trans	-67.7	-44.4	-176.5	26.3	-34	0	0	0	111.8	D717 L723 V724	D717-P720 WeakPolarHBondContact O-CD 3.19Å; P720-L723 WeakPolarHBondContact O-CB 3.49Å; P720-L723 PolarHBondContact O-N 3.3Å; P720-V724 WeakPolarHBondContact O-CG2 3.4Å; P720-V724 PolarHBondContact O-N 3.29Å
721	D	74.4	Confident	74.7	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.011	20%	0.202	C	C	.	.	H	α-helix	trans	-73	-38.3	-171.8	-58.7	-33.2	0	0	0	111.7	R690 Y709 A712 L723 V724 S725	R690-D721 IonicContact CZ-OD1 3.58Å; R690-D721 VanDerWaalsContact CZ-OD1 3.25Å; R690-D721 IonicContact CZ-OD2 3.54Å; R690-D721 IonicContact NE-OD1 3.79Å; R690-D721 PolarHBondContact NE-OD1 3.35Å; R690-D721 IonicContact NH2-OD1 2.59Å; R690-D721 PolarHBondContact NH2-OD1 2.91Å; R690-D721 IonicContact NH2-OD2 3.5Å; R690-D721 PolarHBondContact NH2-OD2 3.15Å; Y709-D721 WeakPolarHBondContact O-CB 3.4Å; A712-D721 HydrophobicContact CB-CB 4.4Å; D721-L723 VanDerWaalsContact C-N 3.29Å; D721-L723 PolarHBondContact O-N 3.14Å; D721-V724 PolarHBondContact O-N 3.01Å; D721-S725 PolarHBondContact O-N 3.48Å; D721-S725 PolarHBondContact O-OG 3.47Å; D721-S725 VanDerWaalsContact O-OG 3.1Å
722	I	75.4	Confident	74.5	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-37.9	173.4	-68.2	176	0	0	0	111.1	S713 P718 V724 S725 V726 K771 V772 L775 L777	S713-I722 WeakPolarHBondContact OG-CD1 3.22Å; S713-I722 VanDerWaalsContact OG-CG1 3.29Å; S713-I722 WeakPolarHBondContact OG-CG1 3.1Å; P718-I722 HydrophobicContact CB-CD1 3.76Å; P718-I722 HydrophobicContact CB-CG1 4.46Å; P718-I722 WeakPolarHBondContact O-CB 3.29Å; P718-I722 WeakPolarHBondContact O-CG1 3.29Å; P718-I722 PolarHBondContact O-N 3.3Å; P718-I722 VanDerWaalsContact O-N 3.09Å; I722-V724 VanDerWaalsContact C-N 3.31Å; I722-V724 PolarHBondContact O-N 3.39Å; I722-S725 WeakPolarHBondContact O-CB 3.47Å; I722-S725 PolarHBondContact O-N 2.91Å; I722-V726 HydrophobicContact CG2-CG2 4.07Å; I722-V726 WeakPolarHBondContact O-CB 3.46Å; I722-V726 WeakPolarHBondContact O-CG2 3.48Å; I722-V726 PolarHBondContact O-N 2.98Å; I722-K771 HydrophobicContact CD1-CD 4.23Å; I722-K771 HydrophobicContact CD1-CG 4.22Å; I722-V772 HydrophobicContact CG2-CG2 3.7Å; I722-L775 HydrophobicContact CD1-CD1 3.12Å; I722-L777 HydrophobicContact CG2-CD1 4.36Å
723	L	72.7	Confident	74.2	Confident	49 Å²	49	35 Å²	35	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-64.5	-39.5	179.6	-180	62.5	0	0	0	111.6	K719 P720 D721 V726 T727 S797 A800	K719-L723 WeakPolarHBondContact O-CB 3.46Å; K719-L723 PolarHBondContact O-N 2.96Å; P720-L723 WeakPolarHBondContact O-CB 3.49Å; P720-L723 PolarHBondContact O-N 3.3Å; D721-L723 VanDerWaalsContact C-N 3.29Å; D721-L723 PolarHBondContact O-N 3.14Å; L723-V726 PolarHBondContact O-N 2.83Å; L723-T727 WeakPolarHBondContact O-CB 3.37Å; L723-T727 PolarHBondContact O-N 3.29Å; L723-T727 PolarHBondContact O-OG1 3.08Å; L723-S797 VanDerWaalsContact CD2-OG 3.31Å; L723-S797 WeakPolarHBondContact CD2-OG 3.33Å; L723-A800 HydrophobicContact CD1-CB 3.96Å
724	V	77.4	Confident	73.6	Confident	50 Å²	50	35.1 Å²	35.1	30%	0.303	21%	0.207	S	C	.	.	H	α-helix	trans	-63	-49.4	173.5	177.2	0	0	0	0	109.6	Y709 P720 D721 I722 V726 T727 L728	Y709-V724 HydrophobicContact CD1-CG1 4.15Å; Y709-V724 HydrophobicContact CD2-CG1 3.79Å; Y709-V724 HydrophobicContact CE1-CG1 3.88Å; Y709-V724 HydrophobicContact CE2-CG1 3.49Å; Y709-V724 VanDerWaalsContact CE2-CG1 3.49Å; Y709-V724 HydrophobicContact CG-CG1 4.11Å; P720-V724 WeakPolarHBondContact O-CG2 3.4Å; P720-V724 PolarHBondContact O-N 3.29Å; D721-V724 PolarHBondContact O-N 3.01Å; I722-V724 VanDerWaalsContact C-N 3.31Å; I722-V724 PolarHBondContact O-N 3.39Å; V724-V726 VanDerWaalsContact C-N 3.32Å; V724-V726 PolarHBondContact O-N 2.88Å; V724-T727 PolarHBondContact O-N 3.04Å; V724-L728 HydrophobicContact CG1-CD1 3.5Å; V724-L728 WeakPolarHBondContact O-CD1 3.45Å; V724-L728 PolarHBondContact O-N 3.34Å
725	S	76.9	Confident	73.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-54.2	-45	174.4	-56.2	0	0	0	0	113.2	Y709 D721 I722 T727 L728 I729	Y709-S725 WeakPolarHBondContact CB-OG 3.2Å; D721-S725 PolarHBondContact O-N 3.48Å; D721-S725 PolarHBondContact O-OG 3.47Å; D721-S725 VanDerWaalsContact O-OG 3.1Å; I722-S725 WeakPolarHBondContact O-CB 3.47Å; I722-S725 PolarHBondContact O-N 2.91Å; S725-T727 VanDerWaalsContact C-N 3.31Å; S725-T727 PolarHBondContact O-N 3.1Å; S725-L728 PolarHBondContact O-N 2.77Å; S725-I729 WeakPolarHBondContact O-CB 3.46Å; S725-I729 VanDerWaalsContact O-CG2 3.29Å; S725-I729 WeakPolarHBondContact O-CG2 3.35Å; S725-I729 PolarHBondContact O-N 2.92Å
726	V	76.4	Confident	73.3	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-38.5	177.9	170.4	0	0	0	0	110.8	I722 L723 V724 I729 N730 I768 V772 A800 L804	I722-V726 HydrophobicContact CG2-CG2 4.07Å; I722-V726 WeakPolarHBondContact O-CB 3.46Å; I722-V726 WeakPolarHBondContact O-CG2 3.48Å; I722-V726 PolarHBondContact O-N 2.98Å; L723-V726 PolarHBondContact O-N 2.83Å; V724-V726 VanDerWaalsContact C-N 3.32Å; V724-V726 PolarHBondContact O-N 2.88Å; V726-I729 VanDerWaalsContact O-CG2 3.3Å; V726-I729 WeakPolarHBondContact O-CG2 3.43Å; V726-N730 VanDerWaalsContact O-CB 3.26Å; V726-N730 WeakPolarHBondContact O-CB 3.47Å; V726-N730 PolarHBondContact O-N 3.02Å; V726-N730 PolarHBondContact O-ND2 3.04Å; V726-N730 VanDerWaalsContact O-ND2 3.08Å; V726-N730 PolarHBondContact O-OD1 3.04Å; V726-I768 HydrophobicContact CG2-CG2 3.62Å; V726-V772 HydrophobicContact CG2-CG2 3.98Å; V726-A800 HydrophobicContact CG1-CB 4.06Å; V726-A800 WeakPolarHBondContact CG1-O 3.49Å; V726-L804 HydrophobicContact CG1-CB 4.29Å; V726-L804 HydrophobicContact CG1-CD2 4.41Å; V726-L804 HydrophobicContact CG2-CD2 4.29Å
727	T	77.4	Confident	72.8	Confident	66 Å²	66	34 Å²	34	41%	0.405	19%	0.192	S	C	.	.	H	α-helix	trans	-68.6	-48.1	178.7	-53.9	0	0	0	0	110.6	L723 V724 S725 N730 T731	L723-T727 WeakPolarHBondContact O-CB 3.37Å; L723-T727 PolarHBondContact O-N 3.29Å; L723-T727 PolarHBondContact O-OG1 3.08Å; V724-T727 PolarHBondContact O-N 3.04Å; S725-T727 VanDerWaalsContact C-N 3.31Å; S725-T727 PolarHBondContact O-N 3.1Å; T727-N730 PolarHBondContact O-N 2.67Å; T727-T731 PolarHBondContact O-N 2.79Å; T727-T731 VanDerWaalsContact O-N 3.13Å; T727-T731 PolarHBondContact O-OG1 3Å
728	L	77.4	Confident	72.4	Confident	13 Å²	13	29.4 Å²	29.4	7%	0.068	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-46.3	178.7	-84.1	81	0	0	0	111.7	E697 V702 A705 I706 Y709 V724 S725 N730 T731 V732	E697-L728 HydrophobicContact CB-CD2 4.46Å; E697-L728 HydrophobicContact CG-CD2 3.9Å; V702-L728 HydrophobicContact CG1-CB 4.07Å; V702-L728 HydrophobicContact CG1-CD2 3.81Å; V702-L728 HydrophobicContact CG1-CG 4.3Å; A705-L728 HydrophobicContact CB-CD2 4.35Å; I706-L728 HydrophobicContact CD1-CB 3.97Å; I706-L728 HydrophobicContact CG1-CB 3.7Å; I706-L728 HydrophobicContact CG1-CD2 4.36Å; Y709-L728 HydrophobicContact CE2-CD1 4.47Å; Y709-L728 HydrophobicContact CE2-CD2 4.26Å; V724-L728 HydrophobicContact CG1-CD1 3.5Å; V724-L728 WeakPolarHBondContact O-CD1 3.45Å; V724-L728 PolarHBondContact O-N 3.34Å; S725-L728 PolarHBondContact O-N 2.77Å; L728-N730 VanDerWaalsContact C-N 3.29Å; L728-N730 PolarHBondContact O-N 2.98Å; L728-T731 VanDerWaalsContact C-OG1 3.32Å; L728-T731 VanDerWaalsContact CA-OG1 3.29Å; L728-T731 WeakPolarHBondContact CA-OG1 3.38Å; L728-T731 PolarHBondContact O-N 3.4Å; L728-T731 PolarHBondContact O-OG1 3.05Å; L728-V732 WeakPolarHBondContact O-CG2 3.3Å; L728-V732 PolarHBondContact O-N 3.11Å
729	I	80.3	Confident	71.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-35.8	178.8	-165	70.7	0	0	0	111.2	I706 S725 V726 T731 V732 L733 L761 L764 A765 I768 L804	I706-I729 HydrophobicContact CD1-CB 4.02Å; I706-I729 HydrophobicContact CD1-CD1 3.93Å; S725-I729 WeakPolarHBondContact O-CB 3.46Å; S725-I729 VanDerWaalsContact O-CG2 3.29Å; S725-I729 WeakPolarHBondContact O-CG2 3.35Å; S725-I729 PolarHBondContact O-N 2.92Å; V726-I729 VanDerWaalsContact O-CG2 3.3Å; V726-I729 WeakPolarHBondContact O-CG2 3.43Å; I729-T731 VanDerWaalsContact C-N 3.34Å; I729-T731 PolarHBondContact O-N 3.4Å; I729-V732 PolarHBondContact O-N 2.97Å; I729-L733 HydrophobicContact CD1-CG 4.49Å; I729-L733 HydrophobicContact CG1-CD1 3.9Å; I729-L733 HydrophobicContact CG1-CG 4.05Å; I729-L733 WeakPolarHBondContact O-CB 3.38Å; I729-L733 VanDerWaalsContact O-CG 3.29Å; I729-L733 WeakPolarHBondContact O-CG 3.37Å; I729-L733 PolarHBondContact O-N 3.44Å; I729-L761 HydrophobicContact CD1-CD1 3.4Å; I729-L761 VanDerWaalsContact CD1-CD1 3.4Å; I729-L761 HydrophobicContact CD1-CG 4.17Å; I729-L764 HydrophobicContact CD1-CD2 4.01Å; I729-L764 HydrophobicContact CD1-CG 4.15Å; I729-A765 HydrophobicContact CG1-CB 4.1Å; I729-I768 HydrophobicContact CB-CD1 4.01Å; I729-I768 HydrophobicContact CG1-CD1 4.1Å; I729-I768 HydrophobicContact CG2-CD1 3.99Å; I729-L804 HydrophobicContact CG2-CD1 3.9Å
730	N	79.8	Confident	70.8	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.011	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-40.2	176.1	-75.6	-19.1	0	0	0	111.7	V726 T727 L728 S734 A800 I803 L804 L807 L857	V726-N730 VanDerWaalsContact O-CB 3.26Å; V726-N730 WeakPolarHBondContact O-CB 3.47Å; V726-N730 PolarHBondContact O-N 3.02Å; V726-N730 PolarHBondContact O-ND2 3.04Å; V726-N730 VanDerWaalsContact O-ND2 3.08Å; V726-N730 PolarHBondContact O-OD1 3.04Å; T727-N730 PolarHBondContact O-N 2.67Å; L728-N730 VanDerWaalsContact C-N 3.29Å; L728-N730 PolarHBondContact O-N 2.98Å; N730-S734 WeakPolarHBondContact O-CB 3.29Å; N730-S734 PolarHBondContact O-N 2.86Å; N730-A800 PolarHBondContact ND2-O 3.32Å; N730-I803 HydrophobicContact CB-CG2 4.14Å; N730-L804 WeakPolarHBondContact OD1-CA 3.41Å; N730-L804 VanDerWaalsContact OD1-CB 3.32Å; N730-L804 WeakPolarHBondContact OD1-CB 3.48Å; N730-L804 WeakPolarHBondContact OD1-CD1 3.47Å; N730-L804 PolarHBondContact OD1-N 3.13Å; N730-L807 HydrophobicContact CB-CD1 4.05Å; N730-L857 HydrophobicContact CB-CD1 4.33Å
731	T	78.1	Confident	69.7	Low	73 Å²	73	29.3 Å²	29.3	45%	0.448	18%	0.178	S	C	.	.	H	α-helix	trans	-63.1	-43	174	17.6	0	0	0	0	112.7	T727 L728 I729 L857	T727-T731 PolarHBondContact O-N 2.79Å; T727-T731 VanDerWaalsContact O-N 3.13Å; T727-T731 PolarHBondContact O-OG1 3Å; L728-T731 VanDerWaalsContact C-OG1 3.32Å; L728-T731 VanDerWaalsContact CA-OG1 3.29Å; L728-T731 WeakPolarHBondContact CA-OG1 3.38Å; L728-T731 PolarHBondContact O-N 3.4Å; L728-T731 PolarHBondContact O-OG1 3.05Å; I729-T731 VanDerWaalsContact C-N 3.34Å; I729-T731 PolarHBondContact O-N 3.4Å; T731-L857 HydrophobicContact CG2-CD2 4Å
732	V	77.5	Confident	68.4	Low	18 Å²	18	29.8 Å²	29.8	11%	0.109	18%	0.18	C	C	.	.	H	α-helix	trans	-74.8	-40.5	179.7	-176.9	0	0	0	0	111.7	V702 L728 I729 S735 V736 L756 L761	V702-V732 HydrophobicContact CB-CG2 4.13Å; V702-V732 HydrophobicContact CG1-CG2 3.4Å; V702-V732 VanDerWaalsContact CG1-CG2 3.4Å; L728-V732 WeakPolarHBondContact O-CG2 3.3Å; L728-V732 PolarHBondContact O-N 3.11Å; I729-V732 PolarHBondContact O-N 2.97Å; V732-S735 PolarHBondContact O-N 3.14Å; V732-S735 PolarHBondContact O-OG 3.44Å; V732-V736 HydrophobicContact CG1-CG2 4.5Å; V732-V736 WeakPolarHBondContact O-CG2 3.26Å; V732-V736 PolarHBondContact O-N 3.47Å; V732-L756 HydrophobicContact CG1-CD1 4.24Å; V732-L761 HydrophobicContact CB-CD1 4.25Å; V732-L761 HydrophobicContact CG1-CD1 3.65Å; V732-L761 HydrophobicContact CG1-CD2 3.79Å; V732-L761 HydrophobicContact CG1-CG 4.4Å
733	L	73.2	Confident	66.4	Low	3 Å²	3	33.1 Å²	33.1	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-48	175.9	-80.7	171.4	0	0	0	110.8	I729 S735 V736 I737 L761 L762 A765 L804 L807	I729-L733 HydrophobicContact CD1-CG 4.49Å; I729-L733 HydrophobicContact CG1-CD1 3.9Å; I729-L733 HydrophobicContact CG1-CG 4.05Å; I729-L733 WeakPolarHBondContact O-CB 3.38Å; I729-L733 VanDerWaalsContact O-CG 3.29Å; I729-L733 WeakPolarHBondContact O-CG 3.37Å; I729-L733 PolarHBondContact O-N 3.44Å; L733-S735 PolarHBondContact O-N 3.15Å; L733-V736 PolarHBondContact O-N 3.38Å; L733-I737 WeakPolarHBondContact O-CG1 3.46Å; L733-I737 PolarHBondContact O-N 3.49Å; L733-L761 HydrophobicContact CD2-CD2 3.69Å; L733-L761 HydrophobicContact CD2-CG 3.76Å; L733-L761 HydrophobicContact CG-CD2 4.19Å; L733-L761 HydrophobicContact CG-CG 4.28Å; L733-L762 HydrophobicContact CD2-CD2 3.97Å; L733-A765 HydrophobicContact CD1-CB 3.65Å; L733-A765 HydrophobicContact CD2-CB 4.19Å; L733-A765 HydrophobicContact CG-CB 4.34Å; L733-L804 HydrophobicContact CD1-CD1 3.81Å; L733-L807 HydrophobicContact CB-CD1 4.16Å; L733-L807 HydrophobicContact CD1-CB 4.47Å
734	S	67.6	Low	64.5	Low	7 Å²	7	33.6 Å²	33.6	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-53.5	-29.7	-178.1	-178.2	0	0	0	0	113.2	N730 L857	N730-S734 WeakPolarHBondContact O-CB 3.29Å; N730-S734 PolarHBondContact O-N 2.86Å; S734-L857 PolarHBondContact OG-O 3.3Å
735	S	69.7	Low	62.4	Low	41 Å²	41	36.1 Å²	36.1	29%	0.287	24%	0.241	S	C	.	.	H	α-helix	trans	-85.2	-21.5	174.8	61.9	0	0	0	0	114.5	V732 L733 P746	V732-S735 PolarHBondContact O-N 3.14Å; V732-S735 PolarHBondContact O-OG 3.44Å; L733-S735 PolarHBondContact O-N 3.15Å; S735-P746 WeakPolarHBondContact O-CG 3.46Å
736	V	65.6	Low	60.4	Low	21 Å²	21	39.4 Å²	39.4	13%	0.127	26%	0.263	C	S	.	.	H	α-helix	trans	-106.3	-11.3	-171.1	178.9	0	0	0	0	113.9	V732 L733 V738 R758 L761	V732-V736 HydrophobicContact CG1-CG2 4.5Å; V732-V736 WeakPolarHBondContact O-CG2 3.26Å; V732-V736 PolarHBondContact O-N 3.47Å; L733-V736 PolarHBondContact O-N 3.38Å; V736-V738 PolarHBondContact O-N 3.48Å; V736-V738 VanDerWaalsContact O-N 3.15Å; V736-R758 HydrophobicContact CG1-CB 4.05Å; V736-R758 HydrophobicContact CG1-CG 4.16Å; V736-L761 HydrophobicContact CB-CD2 3.73Å; V736-L761 HydrophobicContact CG1-CD2 3.86Å; V736-L761 HydrophobicContact CG2-CD2 3.96Å
737	I	59.9	Low	58.2	Low	3 Å²	3	45.1 Å²	45.1	2%	0.015	29%	0.292	C	S	.	.			trans	-56.5	-35.5	-177.3	-59.1	-157.4	0	0	0	112.9	L733 T739 L807 L810 F814 P861	L733-I737 WeakPolarHBondContact O-CG1 3.46Å; L733-I737 PolarHBondContact O-N 3.49Å; I737-T739 PolarHBondContact O-N 2.99Å; I737-L807 HydrophobicContact CD1-CB 3.79Å; I737-L807 HydrophobicContact CD1-CD2 3.39Å; I737-L807 HydrophobicContact CD1-CG 4.13Å; I737-L807 WeakPolarHBondContact CD1-O 3.19Å; I737-L810 HydrophobicContact CD1-CB 4.4Å; I737-L810 HydrophobicContact CD1-CD2 4.32Å; I737-L810 HydrophobicContact CG2-CD2 4.25Å; I737-L810 HydrophobicContact CG2-CG 4.2Å; I737-F814 HydrophobicContact CG2-CD2 3.34Å; I737-F814 HydrophobicContact CG2-CE2 3.44Å; I737-F814 VanDerWaalsContact CG2-CE2 3.44Å; I737-F814 HydrophobicContact CG2-CG 4.48Å; I737-P861 HydrophobicContact CB-CB 4.31Å; I737-P861 HydrophobicContact CD1-CG 4.44Å; I737-P861 HydrophobicContact CG2-CB 4.34Å
738	V	59	Low	56	Low	27 Å²	27	46 Å²	46	16%	0.164	30%	0.297	C	S	.	.	S	Bend	trans	-74.2	112.1	-172.1	-173.1	0	0	0	0	110.3	V736 F742 W864	V736-V738 PolarHBondContact O-N 3.48Å; V736-V738 VanDerWaalsContact O-N 3.15Å; V738-F742 HydrophobicContact CG1-CB 4.15Å; V738-F742 HydrophobicContact CG1-CD2 3.99Å; V738-W864 HydrophobicContact CB-CG 4.45Å; V738-W864 HydrophobicContact CG1-CB 4.07Å; V738-W864 HydrophobicContact CG1-CD2 3.93Å; V738-W864 HydrophobicContact CG1-CE3 4.41Å; V738-W864 HydrophobicContact CG1-CG 3.8Å; V738-W864 HydrophobicContact CG2-CB 3.97Å; V738-W864 VanDerWaalsContact CG2-CD1 3.42Å; V738-W864 HydrophobicContact CG2-CG 3.71Å
739	T	53.4	Low	53.7	Low	12 Å²	12	52.8 Å²	52.8	7%	0.074	33%	0.329	C	S	.	.			trans	-77.8	149.4	177.9	55	0	0	0	0	111.7	I737 D741 F742 R758 F814 D818	I737-T739 PolarHBondContact O-N 2.99Å; T739-D741 VanDerWaalsContact C-N 3.32Å; T739-D741 PolarHBondContact O-N 2.95Å; T739-F742 VanDerWaalsContact O-CD2 3.27Å; T739-F742 WeakPolarHBondContact O-CD2 3.45Å; T739-R758 VanDerWaalsContact CG2-CZ 3.41Å; T739-F814 HydrophobicContact CG2-CB 4.35Å; T739-D818 WeakPolarHBondContact CB-OD2 3.29Å; T739-D818 WeakPolarHBondContact CG2-OD2 3.21Å; T739-D818 PolarHBondContact OG1-OD1 2.64Å; T739-D818 PolarHBondContact OG1-OD2 3.16Å
740	S	44.3	Very low	51.3	Low	104 Å²	104	55.4 Å²	55.4	73%	0.727	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	29.2	-150.5	54.1	0	0	0	0	117.7
741	D	47.3	Very low	49.2	Very low	121 Å²	121	67.6 Å²	67.6	65%	0.647	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	2.9	168.5	-83.4	3.2	0	0	0	112.8	T739	T739-D741 VanDerWaalsContact C-N 3.32Å; T739-D741 PolarHBondContact O-N 2.95Å
742	F	46.8	Very low	47	Very low	13 Å²	13	66.8 Å²	66.8	6%	0.057	39%	0.39	C	S	.	.	S	Bend	trans	-109.1	62.6	-173.5	-59.8	-53	0	0	0	112.4	V738 T739 A744 F814 W864 Y867 A868	V738-F742 HydrophobicContact CG1-CB 4.15Å; V738-F742 HydrophobicContact CG1-CD2 3.99Å; T739-F742 VanDerWaalsContact O-CD2 3.27Å; T739-F742 WeakPolarHBondContact O-CD2 3.45Å; F742-A744 PolarHBondContact O-N 3.48Å; F742-F814 HydrophobicContact CE2-CD1 4.44Å; F742-F814 HydrophobicContact CE2-CE1 4.18Å; F742-W864 HydrophobicContact CB-CD2 4.45Å; F742-W864 HydrophobicContact CB-CE3 3.55Å; F742-W864 HydrophobicContact CB-CH2 4.25Å; F742-W864 HydrophobicContact CB-CZ3 3.47Å; F742-W864 VanDerWaalsContact CB-CZ3 3.47Å; F742-W864 AromaticContact CG-CE3 3.99Å; F742-W864 HydrophobicContact CG-CE3 3.99Å; F742-W864 HydrophobicContact CG-CZ3 4.27Å; F742-W864 WeakPolarHBondContact O-CH2 3.37Å; F742-Y867 AromaticContact CD1-CD1 3.32Å; F742-Y867 HydrophobicContact CD1-CD1 3.32Å; F742-Y867 AromaticContact CD1-CE1 3.33Å; F742-Y867 HydrophobicContact CD1-CE1 3.33Å; F742-Y867 AromaticContact CE1-CD1 3.19Å; F742-Y867 HydrophobicContact CE1-CD1 3.19Å; F742-Y867 AromaticContact CE1-CE1 3.29Å; F742-Y867 HydrophobicContact CE1-CE1 3.29Å; F742-Y867 HydrophobicContact CE1-CG 4.49Å; F742-Y867 HydrophobicContact CG-CD1 4.37Å; F742-Y867 HydrophobicContact CZ-CD1 4.16Å; F742-A868 HydrophobicContact CE2-CB 4.31Å; F742-A868 HydrophobicContact CZ-CB 3.93Å
743	G	33.7	Very low	44.8	Very low	72 Å²	72	70.5 Å²	70.5	74%	0.742	43%	0.432	S	S	*	.	S	Bend	trans	68.3	-21.2	152	0	0	0	0	0	119.7
744	A	33.6	Very low	43.1	Very low	59 Å²	59	72.8 Å²	72.8	49%	0.488	46%	0.456	S	S	.	.			trans	-149.4	109.6	178.1	0	0	0	0	0	107.2	F742 P746	F742-A744 PolarHBondContact O-N 3.48Å; A744-P746 WeakPolarHBondContact O-CD 3.33Å
745	T	32.7	Very low	41.7	Very low	102 Å²	102	81 Å²	81	63%	0.626	49%	0.493	S	S	*	.			trans	-52.1	116	151.7	42.5	0	0	0	0	105.2	I747	T745-I747 WeakPolarHBondContact O-CG1 3.38Å; T745-I747 PolarHBondContact O-N 3.18Å
746	P	34.7	Very low	40.9	Very low	70 Å²	70	82.3 Å²	82.3	46%	0.455	50%	0.497	S	S	.	.			trans	-62.4	103.7	165.6	25.1	-27.6	0	0	0	103.6	S735 A744 T748	S735-P746 WeakPolarHBondContact O-CG 3.46Å; A744-P746 WeakPolarHBondContact O-CD 3.33Å; P746-T748 PolarHBondContact O-N 3.08Å
747	I	30.7	Very low	40.7	Very low	121 Å²	121	86.2 Å²	86.2	62%	0.621	52%	0.517	S	S	*	.			trans	-65.8	70	173.1	-53.4	176.8	0	0	0	105.4	T745 Q749	T745-I747 WeakPolarHBondContact O-CG1 3.38Å; T745-I747 PolarHBondContact O-N 3.18Å; I747-Q749 HydrophobicContact CG2-CB 3.89Å; I747-Q749 VanDerWaalsContact CG2-CD 3.43Å; I747-Q749 HydrophobicContact CG2-CG 3.41Å; I747-Q749 VanDerWaalsContact CG2-CG 3.41Å; I747-Q749 PolarHBondContact O-N 3.37Å; I747-Q749 VanDerWaalsContact O-N 3.1Å
748	T	31.7	Very low	41	Very low	84 Å²	84	88.8 Å²	88.8	52%	0.515	53%	0.527	S	S	.	.			trans	-77.3	72.9	143.2	51.2	0	0	0	0	103.7	P746 S750	P746-T748 PolarHBondContact O-N 3.08Å; T748-S750 PolarHBondContact O-N 3.5Å
749	Q	27.6	Very low	41.5	Very low	156 Å²	156	91.4 Å²	91.4	73%	0.729	55%	0.546	S	S	*	.			trans	-57.1	87.4	144.1	-83.4	166.4	18.8	0	0	103.8	I747 R751	I747-Q749 HydrophobicContact CG2-CB 3.89Å; I747-Q749 VanDerWaalsContact CG2-CD 3.43Å; I747-Q749 HydrophobicContact CG2-CG 3.41Å; I747-Q749 VanDerWaalsContact CG2-CG 3.41Å; I747-Q749 PolarHBondContact O-N 3.37Å; I747-Q749 VanDerWaalsContact O-N 3.1Å; Q749-R751 PolarHBondContact O-N 3.06Å
750	S	29.6	Very low	42.6	Very low	54 Å²	54	93.1 Å²	93.1	38%	0.378	56%	0.559	S	S	.	*			trans	-47	126.6	139.3	-178.9	0	0	0	0	104.4	T748 S752	T748-S750 PolarHBondContact O-N 3.5Å; S750-S752 CarbonylContact O-C 3.6Å; S750-S752 PolarHBondContact O-N 2.93Å; S750-S752 PolarHBondContact OG-N 3.02Å; S750-S752 PolarHBondContact OG-OG 3.38Å
751	R	35.6	Very low	44	Very low	259 Å²	259	88.5 Å²	88.5	98%	0.977	53%	0.526	S	S	*	.	S	Bend	trans	-57.5	-10.5	178.2	-71.9	178.1	173	-176.9	-1.5	111.4	Q749	Q749-R751 PolarHBondContact O-N 3.06Å
752	S	33.6	Very low	45.3	Very low	56 Å²	56	83.8 Å²	83.8	39%	0.392	50%	0.5	S	S	.	.	S	Bend	trans	-87.9	124.2	163.7	59.2	0	0	0	0	112	S750 G754	S750-S752 CarbonylContact O-C 3.6Å; S750-S752 PolarHBondContact O-N 2.93Å; S750-S752 PolarHBondContact OG-N 3.02Å; S750-S752 PolarHBondContact OG-OG 3.38Å; S752-G754 PolarHBondContact O-N 3.06Å
753	G	29.8	Very low	46.9	Very low	95 Å²	95	91 Å²	91	98%	0.979	53%	0.527	S	S	*	.	S	Bend	trans	-67.1	37.5	-178.1	0	0	0	0	0	116.9
754	G	38.3	Very low	49	Very low	51 Å²	51	87.9 Å²	87.9	53%	0.526	49%	0.493	S	S	.	.			trans	-103.6	108.4	166.2	0	0	0	0	0	109	S752 L756	S752-G754 PolarHBondContact O-N 3.06Å; G754-L756 PolarHBondContact O-N 3.22Å; G754-L756 VanDerWaalsContact O-N 3.08Å
755	Q	39.3	Very low	51.1	Low	179 Å²	179	85 Å²	85	84%	0.836	47%	0.47	S	S	*	.			trans	-54.8	118.2	164.2	-161.4	176.8	-29.4	0	0	106.4	D757	Q755-D757 PolarHBondContact O-N 3.5Å
756	L	51.3	Low	53.3	Low	70 Å²	70	82.5 Å²	82.5	37%	0.366	45%	0.454	S	S	.	.			trans	-57.4	107.9	175.8	-80.1	163.3	0	0	0	107.4	V703 V732 G754 R758	V703-L756 HydrophobicContact CG2-CD2 3.63Å; V732-L756 HydrophobicContact CG1-CD1 4.24Å; G754-L756 PolarHBondContact O-N 3.22Å; G754-L756 VanDerWaalsContact O-N 3.08Å; L756-R758 PolarHBondContact O-N 3Å
757	D	61.2	Low	55.4	Low	103 Å²	103	84.5 Å²	84.5	55%	0.551	46%	0.458	S	S	*	.			trans	-62.1	106.8	177.3	-80.2	-24.3	0	0	0	107.8	Q755 S759 S760 L761	Q755-D757 PolarHBondContact O-N 3.5Å; D757-S759 PolarHBondContact O-N 2.76Å; D757-S760 WeakPolarHBondContact O-CA 3.45Å; D757-S760 WeakPolarHBondContact O-CB 3.22Å; D757-S760 PolarHBondContact O-N 2.73Å; D757-L761 PolarHBondContact O-N 3.33Å; D757-L761 VanDerWaalsContact O-N 3.13Å
758	R	67.7	Low	57.6	Low	57 Å²	57	78.9 Å²	78.9	22%	0.215	43%	0.429	C	S	.	.	H	α-helix	trans	-48.1	-37.9	178.1	175.8	176.5	172.6	-82.1	-0.6	111.6	V736 T739 L756 L761 L762 A811 D815	V736-R758 HydrophobicContact CG1-CB 4.05Å; V736-R758 HydrophobicContact CG1-CG 4.16Å; T739-R758 VanDerWaalsContact CG2-CZ 3.41Å; L756-R758 PolarHBondContact O-N 3Å; R758-L761 PolarHBondContact O-N 2.73Å; R758-L762 HydrophobicContact CG-CD1 3.92Å; R758-L762 HydrophobicContact CG-CG 4.31Å; R758-L762 WeakPolarHBondContact O-CB 3.42Å; R758-L762 VanDerWaalsContact O-CG 3.25Å; R758-L762 WeakPolarHBondContact O-CG 3.29Å; R758-L762 PolarHBondContact O-N 2.86Å; R758-A811 PolarHBondContact NH2-O 2.98Å; R758-D815 IonicContact CZ-OD1 2.71Å; R758-D815 IonicContact NH1-OD1 3.57Å; R758-D815 PolarHBondContact NH1-OD1 3.33Å; R758-D815 IonicContact NH2-OD1 2.72Å; R758-D815 PolarHBondContact NH2-OD1 2.75Å; R758-D815 IonicContact NH2-OD2 3.48Å
759	S	69.7	Low	59.7	Low	82 Å²	82	74.9 Å²	74.9	57%	0.573	41%	0.405	S	S	*	.	H	α-helix	trans	-61.4	-42.1	176.3	54.6	0	0	0	0	113.2	D757 R763	D757-S759 PolarHBondContact O-N 2.76Å; S759-R763 WeakPolarHBondContact O-CB 3.48Å; S759-R763 PolarHBondContact O-N 3.36Å
760	S	75.5	Confident	62.1	Low	48 Å²	48	72.4 Å²	72.4	34%	0.336	39%	0.393	S	S	.	.	H	α-helix	trans	-66.7	-41.9	177.1	-65.5	0	0	0	0	111.4	D757 R763 L764	D757-S760 WeakPolarHBondContact O-CA 3.45Å; D757-S760 WeakPolarHBondContact O-CB 3.22Å; D757-S760 PolarHBondContact O-N 2.73Å; S760-R763 PolarHBondContact O-N 3.36Å; S760-L764 PolarHBondContact O-N 2.77Å
761	L	74.9	Confident	64.2	Low	6 Å²	6	71.1 Å²	71.1	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-66.3	-42.3	177.2	-171.4	72.2	0	0	0	112.2	I729 V732 L733 V736 D757 R758 R763 L764 A765	I729-L761 HydrophobicContact CD1-CD1 3.4Å; I729-L761 VanDerWaalsContact CD1-CD1 3.4Å; I729-L761 HydrophobicContact CD1-CG 4.17Å; V732-L761 HydrophobicContact CB-CD1 4.25Å; V732-L761 HydrophobicContact CG1-CD1 3.65Å; V732-L761 HydrophobicContact CG1-CD2 3.79Å; V732-L761 HydrophobicContact CG1-CG 4.4Å; L733-L761 HydrophobicContact CD2-CD2 3.69Å; L733-L761 HydrophobicContact CD2-CG 3.76Å; L733-L761 HydrophobicContact CG-CD2 4.19Å; L733-L761 HydrophobicContact CG-CG 4.28Å; V736-L761 HydrophobicContact CB-CD2 3.73Å; V736-L761 HydrophobicContact CG1-CD2 3.86Å; V736-L761 HydrophobicContact CG2-CD2 3.96Å; D757-L761 PolarHBondContact O-N 3.33Å; D757-L761 VanDerWaalsContact O-N 3.13Å; R758-L761 PolarHBondContact O-N 2.73Å; L761-R763 VanDerWaalsContact C-N 3.35Å; L761-L764 PolarHBondContact O-N 3.05Å; L761-A765 WeakPolarHBondContact O-CB 3.44Å; L761-A765 PolarHBondContact O-N 3.26Å
762	L	74.3	Confident	66	Low	22 Å²	22	58.8 Å²	58.8	12%	0.115	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-37.6	175.2	-70.7	175.2	0	0	0	111.8	L733 R758 A765 T766 A811	L733-L762 HydrophobicContact CD2-CD2 3.97Å; R758-L762 HydrophobicContact CG-CD1 3.92Å; R758-L762 HydrophobicContact CG-CG 4.31Å; R758-L762 WeakPolarHBondContact O-CB 3.42Å; R758-L762 VanDerWaalsContact O-CG 3.25Å; R758-L762 WeakPolarHBondContact O-CG 3.29Å; R758-L762 PolarHBondContact O-N 2.86Å; L762-A765 PolarHBondContact O-N 3.44Å; L762-T766 WeakPolarHBondContact O-CB 3.18Å; L762-T766 VanDerWaalsContact O-CG2 3.32Å; L762-T766 WeakPolarHBondContact O-CG2 3.43Å; L762-T766 PolarHBondContact O-N 3.29Å; L762-T766 PolarHBondContact O-OG1 3.41Å; L762-A811 HydrophobicContact CD1-CB 4.4Å; L762-A811 HydrophobicContact CD2-CB 3.43Å; L762-A811 VanDerWaalsContact CD2-CB 3.43Å
763	R	78.9	Confident	68.1	Low	165 Å²	165	63 Å²	63	62%	0.623	34%	0.341	S	S	*	.	H	α-helix	trans	-62.4	-45.2	173	-175.5	-179.5	61.5	-159.4	-6.2	111.2	S759 S760 L761 T766 E767	S759-R763 WeakPolarHBondContact O-CB 3.48Å; S759-R763 PolarHBondContact O-N 3.36Å; S760-R763 PolarHBondContact O-N 3.36Å; L761-R763 VanDerWaalsContact C-N 3.35Å; R763-T766 WeakPolarHBondContact CA-OG1 3.32Å; R763-T766 PolarHBondContact O-N 3.22Å; R763-T766 PolarHBondContact O-OG1 2.88Å; R763-E767 WeakPolarHBondContact O-CB 3.29Å; R763-E767 PolarHBondContact O-N 3.36Å
764	L	78.7	Confident	70	Confident	6 Å²	6	67.2 Å²	67.2	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-44	175.9	-179.7	56.9	0	0	0	111.8	V703 I706 H707 L710 I729 S760 L761 T766 E767 I768	V703-L764 HydrophobicContact CG1-CD2 4.24Å; I706-L764 HydrophobicContact CB-CD2 4.37Å; I706-L764 HydrophobicContact CG2-CD1 4.33Å; I706-L764 HydrophobicContact CG2-CD2 3.89Å; I706-L764 HydrophobicContact CG2-CG 4.3Å; H707-L764 WeakPolarHBondContact NE2-CD1 3.45Å; L710-L764 HydrophobicContact CD1-CD1 3.98Å; I729-L764 HydrophobicContact CD1-CD2 4.01Å; I729-L764 HydrophobicContact CD1-CG 4.15Å; S760-L764 PolarHBondContact O-N 2.77Å; L761-L764 PolarHBondContact O-N 3.05Å; L764-T766 PolarHBondContact O-N 3.12Å; L764-E767 WeakPolarHBondContact O-CB 3.31Å; L764-E767 PolarHBondContact O-N 3.01Å; L764-I768 HydrophobicContact CD1-CD1 4.22Å; L764-I768 HydrophobicContact CD1-CG1 4.41Å; L764-I768 HydrophobicContact CG-CD1 4.09Å; L764-I768 VanDerWaalsContact O-CG1 3.29Å; L764-I768 WeakPolarHBondContact O-CG1 3.43Å; L764-I768 PolarHBondContact O-N 3.03Å
765	A	78.2	Confident	71.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-41.9	177.3	0	0	0	0	0	113.2	I729 L733 L761 L762 I768 A769 L804	I729-A765 HydrophobicContact CG1-CB 4.1Å; L733-A765 HydrophobicContact CD1-CB 3.65Å; L733-A765 HydrophobicContact CD2-CB 4.19Å; L733-A765 HydrophobicContact CG-CB 4.34Å; L761-A765 WeakPolarHBondContact O-CB 3.44Å; L761-A765 PolarHBondContact O-N 3.26Å; L762-A765 PolarHBondContact O-N 3.44Å; A765-I768 PolarHBondContact O-N 3.28Å; A765-A769 VanDerWaalsContact O-CB 3.29Å; A765-A769 WeakPolarHBondContact O-CB 3.28Å; A765-A769 PolarHBondContact O-N 2.91Å; A765-L804 HydrophobicContact CB-CD1 4.34Å
766	T	79.2	Confident	72.6	Confident	48 Å²	48	62.1 Å²	62.1	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-66	-38.2	175.6	48.1	0	0	0	0	111.7	L762 R763 L764 A769 H770 L808	L762-T766 WeakPolarHBondContact O-CB 3.18Å; L762-T766 VanDerWaalsContact O-CG2 3.32Å; L762-T766 WeakPolarHBondContact O-CG2 3.43Å; L762-T766 PolarHBondContact O-N 3.29Å; L762-T766 PolarHBondContact O-OG1 3.41Å; R763-T766 WeakPolarHBondContact CA-OG1 3.32Å; R763-T766 PolarHBondContact O-N 3.22Å; R763-T766 PolarHBondContact O-OG1 2.88Å; L764-T766 PolarHBondContact O-N 3.12Å; T766-A769 PolarHBondContact O-N 3.47Å; T766-H770 WeakPolarHBondContact O-CB 3.2Å; T766-H770 PolarHBondContact O-CD2 3.44Å; T766-H770 VanDerWaalsContact O-CD2 3.25Å; T766-H770 VanDerWaalsContact O-CG 3.28Å; T766-H770 PolarHBondContact O-N 2.99Å; T766-L808 HydrophobicContact CG2-CD1 3.56Å; T766-L808 HydrophobicContact CG2-CD2 3.98Å; T766-L808 HydrophobicContact CG2-CG 4.36Å
767	E	77.2	Confident	72.9	Confident	113 Å²	113	60.9 Å²	60.9	53%	0.528	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-47.4	173.8	-174.7	176.5	177.4	0	0	112	R763 L764 A769 H770 K771	R763-E767 WeakPolarHBondContact O-CB 3.29Å; R763-E767 PolarHBondContact O-N 3.36Å; L764-E767 WeakPolarHBondContact O-CB 3.31Å; L764-E767 PolarHBondContact O-N 3.01Å; E767-A769 VanDerWaalsContact C-N 3.35Å; E767-A769 PolarHBondContact O-N 3.42Å; E767-H770 PolarHBondContact O-N 2.84Å; E767-K771 PolarHBondContact O-N 2.91Å
768	I	77.7	Confident	72.4	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-46.3	175.3	-65	167.2	0	0	0	110.3	I706 L710 V726 I729 L764 A765 H770 K771 V772 L804	I706-I768 HydrophobicContact CG2-CD1 3.73Å; L710-I768 HydrophobicContact CD1-CD1 4.16Å; L710-I768 HydrophobicContact CD1-CG1 3.75Å; L710-I768 HydrophobicContact CD2-CG1 4.08Å; L710-I768 HydrophobicContact CG-CG1 4.47Å; V726-I768 HydrophobicContact CG2-CG2 3.62Å; I729-I768 HydrophobicContact CB-CD1 4.01Å; I729-I768 HydrophobicContact CG1-CD1 4.1Å; I729-I768 HydrophobicContact CG2-CD1 3.99Å; L764-I768 HydrophobicContact CD1-CD1 4.22Å; L764-I768 HydrophobicContact CD1-CG1 4.41Å; L764-I768 HydrophobicContact CG-CD1 4.09Å; L764-I768 VanDerWaalsContact O-CG1 3.29Å; L764-I768 WeakPolarHBondContact O-CG1 3.43Å; L764-I768 PolarHBondContact O-N 3.03Å; A765-I768 PolarHBondContact O-N 3.28Å; I768-H770 VanDerWaalsContact C-N 3.3Å; I768-H770 PolarHBondContact O-N 3.05Å; I768-K771 PolarHBondContact O-N 3.29Å; I768-K771 VanDerWaalsContact O-N 3.12Å; I768-V772 HydrophobicContact CG2-CG2 4.22Å; I768-V772 WeakPolarHBondContact O-CB 3.41Å; I768-V772 VanDerWaalsContact O-CG2 3.29Å; I768-V772 WeakPolarHBondContact O-CG2 3.33Å; I768-V772 PolarHBondContact O-N 3.11Å; I768-L804 HydrophobicContact CB-CD2 4.47Å; I768-L804 HydrophobicContact CG2-CD2 3.9Å
769	A	75.4	Confident	71.3	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-40.9	178.1	0	0	0	0	0	111.8	A765 T766 E767 R773 L804 F805 L808	A765-A769 VanDerWaalsContact O-CB 3.29Å; A765-A769 WeakPolarHBondContact O-CB 3.28Å; A765-A769 PolarHBondContact O-N 2.91Å; T766-A769 PolarHBondContact O-N 3.47Å; E767-A769 VanDerWaalsContact C-N 3.35Å; E767-A769 PolarHBondContact O-N 3.42Å; A769-R773 WeakPolarHBondContact O-CG 3.47Å; A769-R773 PolarHBondContact O-N 3.42Å; A769-L804 HydrophobicContact CB-CD2 4.2Å; A769-F805 HydrophobicContact CB-CE1 3.86Å; A769-F805 HydrophobicContact CB-CZ 4.42Å; A769-L808 HydrophobicContact CB-CD2 4.36Å
770	H	77.8	Confident	69.8	Low	104 Å²	104	62.5 Å²	62.5	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-41.7	174	-75	-166.5	0	0	0	111.8	T766 E767 I768 R773 R774	T766-H770 WeakPolarHBondContact O-CB 3.2Å; T766-H770 PolarHBondContact O-CD2 3.44Å; T766-H770 VanDerWaalsContact O-CD2 3.25Å; T766-H770 VanDerWaalsContact O-CG 3.28Å; T766-H770 PolarHBondContact O-N 2.99Å; E767-H770 PolarHBondContact O-N 2.84Å; I768-H770 VanDerWaalsContact C-N 3.3Å; I768-H770 PolarHBondContact O-N 3.05Å; H770-R773 PolarHBondContact O-N 3.42Å; H770-R774 WeakPolarHBondContact O-CB 3.44Å; H770-R774 VanDerWaalsContact O-CG 3.31Å; H770-R774 WeakPolarHBondContact O-CG 3.16Å; H770-R774 PolarHBondContact O-N 3.36Å
771	K	73.6	Confident	67.9	Low	27 Å²	27	66.9 Å²	66.9	12%	0.117	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-44.5	176.6	-167.6	168.6	-176.8	165.6	0	111.6	D668 L710 S714 I722 E767 I768 R773 R774 L775	D668-K771 WeakPolarHBondContact OD1-CE 3.47Å; D668-K771 IonicContact OD1-NZ 2.75Å; D668-K771 PolarHBondContact OD1-NZ 3.44Å; D668-K771 IonicContact OD2-NZ 2.7Å; L710-K771 HydrophobicContact CD2-CD 4.35Å; L710-K771 PolarHBondContact O-NZ 3.21Å; S714-K771 PolarHBondContact OG-NZ 2.76Å; I722-K771 HydrophobicContact CD1-CD 4.23Å; I722-K771 HydrophobicContact CD1-CG 4.22Å; E767-K771 PolarHBondContact O-N 2.91Å; I768-K771 PolarHBondContact O-N 3.29Å; I768-K771 VanDerWaalsContact O-N 3.12Å; K771-R773 PolarHBondContact O-N 3.43Å; K771-R774 PolarHBondContact O-N 3.28Å; K771-L775 HydrophobicContact CG-CD1 4.09Å; K771-L775 WeakPolarHBondContact O-CG 3.47Å; K771-L775 PolarHBondContact O-N 2.85Å
772	V	74.6	Confident	65.9	Low	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.7	-43.1	175.9	169.8	0	0	0	0	111.7	I722 V726 I768 G776 L777 I801	I722-V772 HydrophobicContact CG2-CG2 3.7Å; V726-V772 HydrophobicContact CG2-CG2 3.98Å; I768-V772 HydrophobicContact CG2-CG2 4.22Å; I768-V772 WeakPolarHBondContact O-CB 3.41Å; I768-V772 VanDerWaalsContact O-CG2 3.29Å; I768-V772 WeakPolarHBondContact O-CG2 3.33Å; I768-V772 PolarHBondContact O-N 3.11Å; V772-G776 PolarHBondContact O-N 2.9Å; V772-L777 HydrophobicContact CG1-CB 4.15Å; V772-L777 PolarHBondContact O-N 3.24Å; V772-I801 HydrophobicContact CG1-CB 4.48Å; V772-I801 HydrophobicContact CG1-CD1 3.97Å; V772-I801 HydrophobicContact CG1-CG1 4.02Å; V772-I801 HydrophobicContact CG1-CG2 3.64Å
773	R	76.9	Confident	63.9	Low	144 Å²	144	76.7 Å²	76.7	54%	0.543	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-45.9	174.4	-74.7	-178.2	180	171.4	1.7	112.1	A769 H770 K771 L775 G776 F805	A769-R773 WeakPolarHBondContact O-CG 3.47Å; A769-R773 PolarHBondContact O-N 3.42Å; H770-R773 PolarHBondContact O-N 3.42Å; K771-R773 PolarHBondContact O-N 3.43Å; R773-L775 VanDerWaalsContact C-N 3.28Å; R773-L775 PolarHBondContact O-N 3.12Å; R773-G776 PolarHBondContact O-N 3.38Å; R773-G776 VanDerWaalsContact O-N 3.12Å; R773-F805 HydrophobicContact CG-CE1 4.28Å; R773-F805 HydrophobicContact CG-CZ 3.81Å; R773-F805 VanDerWaalsContact NH2-CE1 3.33Å
774	R	70	Confident	61.6	Low	183 Å²	183	79 Å²	79	69%	0.691	41%	0.407	S	S	*	.	H	α-helix	trans	-59.9	-37.6	178.8	-77.8	178.5	-174.8	176.1	2.2	112.6	H770 K771 G776	H770-R774 WeakPolarHBondContact O-CB 3.44Å; H770-R774 VanDerWaalsContact O-CG 3.31Å; H770-R774 WeakPolarHBondContact O-CG 3.16Å; H770-R774 PolarHBondContact O-N 3.36Å; K771-R774 PolarHBondContact O-N 3.28Å; R774-G776 PolarHBondContact O-N 2.88Å
775	L	67.5	Low	59.3	Low	70 Å²	70	85.6 Å²	85.6	37%	0.366	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-2	179.8	-68.9	171	0	0	0	113.8	P718 I722 K771 R773 L777	P718-L775 HydrophobicContact CB-CD1 4.04Å; P718-L775 HydrophobicContact CG-CD1 4.2Å; P718-L775 HydrophobicContact CG-CD2 4.31Å; I722-L775 HydrophobicContact CD1-CD1 3.12Å; K771-L775 HydrophobicContact CG-CD1 4.09Å; K771-L775 WeakPolarHBondContact O-CG 3.47Å; K771-L775 PolarHBondContact O-N 2.85Å; R773-L775 VanDerWaalsContact C-N 3.28Å; R773-L775 PolarHBondContact O-N 3.12Å; L775-L777 HydrophobicContact CB-CD1 4.29Å; L775-L777 HydrophobicContact CB-CG 4Å; L775-L777 HydrophobicContact CD1-CD1 4.4Å; L775-L777 PolarHBondContact O-N 3.39Å
776	G	64.1	Low	57.1	Low	53 Å²	53	90.7 Å²	90.7	55%	0.546	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	19.2	-178.9	0	0	0	0	0	113.9	V772 R773 R774 S778	V772-G776 PolarHBondContact O-N 2.9Å; R773-G776 PolarHBondContact O-N 3.38Å; R773-G776 VanDerWaalsContact O-N 3.12Å; R774-G776 PolarHBondContact O-N 2.88Å; G776-S778 PolarHBondContact O-N 2.89Å
777	L	58.5	Low	54.6	Low	45 Å²	45	96.4 Å²	96.4	24%	0.236	50%	0.496	C	S	.	.			trans	-72.2	-20.5	175.1	-61.3	176.8	0	0	0	111.6	K719 I722 V772 L775 S779 I801	K719-L777 HydrophobicContact CG-CD2 4.07Å; I722-L777 HydrophobicContact CG2-CD1 4.36Å; V772-L777 HydrophobicContact CG1-CB 4.15Å; V772-L777 PolarHBondContact O-N 3.24Å; L775-L777 HydrophobicContact CB-CD1 4.29Å; L775-L777 HydrophobicContact CB-CG 4Å; L775-L777 HydrophobicContact CD1-CD1 4.4Å; L775-L777 PolarHBondContact O-N 3.39Å; L777-S779 PolarHBondContact O-N 3.47Å; L777-I801 HydrophobicContact CB-CD1 3.93Å
778	S	51	Low	52.2	Low	38 Å²	38	97.3 Å²	97.3	27%	0.266	50%	0.504	S	S	.	.	S	Bend	trans	-77.9	95.8	163.4	-171.3	0	0	0	0	108.1	G776 D780	G776-S778 PolarHBondContact O-N 2.89Å; S778-D780 PolarHBondContact O-N 3.44Å
779	S	43.7	Very low	50	Low	89 Å²	89	104.1 Å²	104.1	62%	0.622	54%	0.541	S	S	*	.			trans	-61.9	102.1	165.9	-177.2	0	0	0	0	108	L777 D781	L777-S779 PolarHBondContact O-N 3.47Å; S779-D781 PolarHBondContact O-N 2.95Å
780	D	37.8	Very low	47.9	Very low	149 Å²	149	110.4 Å²	110.4	80%	0.797	58%	0.579	S	S	*	*			trans	-78.1	32.2	177.1	-136.1	21.7	0	0	0	111.6	S778 S782	S778-D780 PolarHBondContact O-N 3.44Å; D780-S782 PolarHBondContact O-N 3.25Å; D780-S782 VanDerWaalsContact O-N 3.14Å
781	D	36.6	Very low	45.7	Very low	139 Å²	139	111.9 Å²	111.9	74%	0.743	59%	0.586	S	S	*	*			trans	-79.6	103.9	168.8	-88.1	-5.8	0	0	0	107.7	S779 D783	S779-D781 PolarHBondContact O-N 2.95Å; D781-D783 PolarHBondContact O-N 2.68Å
782	S	32.7	Very low	43.9	Very low	106 Å²	106	116.3 Å²	116.3	74%	0.741	62%	0.62	S	S	*	*			trans	-51.8	24.9	177	56.2	0	0	0	0	117	D780	D780-S782 PolarHBondContact O-N 3.25Å; D780-S782 VanDerWaalsContact O-N 3.14Å
783	D	31.8	Very low	42	Very low	128 Å²	128	120.7 Å²	120.7	68%	0.684	65%	0.651	S	S	*	*			trans	-101.8	107.1	-178.9	-92.7	-19.6	0	0	0	112.6	D781 L785	D781-D783 PolarHBondContact O-N 2.68Å; D783-L785 PolarHBondContact O-N 3.47Å; D783-L785 VanDerWaalsContact O-N 3.08Å
784	Y	31.8	Very low	40.2	Very low	214 Å²	214	115.9 Å²	115.9	84%	0.839	64%	0.642	S	S	*	*			trans	-44.5	109.1	158.9	-69.8	-96.9	0	0	0	110.7	V786	Y784-V786 PolarHBondContact O-N 3.01Å
785	L	30.5	Very low	38.8	Very low	144 Å²	144	111.2 Å²	111.2	75%	0.754	63%	0.634	S	S	*	*	S	Bend	trans	58	13.6	149.9	-69.6	175.3	0	0	0	121	D783	D783-L785 PolarHBondContact O-N 3.47Å; D783-L785 VanDerWaalsContact O-N 3.08Å
786	V	31.2	Very low	38	Very low	107 Å²	107	109.9 Å²	109.9	65%	0.648	64%	0.637	S	S	*	*			trans	-144.7	98.3	-177.6	-169.5	0	0	0	0	113.6	Y784	Y784-V786 PolarHBondContact O-N 3.01Å
787	Q	26.7	Very low	37.4	Very low	168 Å²	168	109.1 Å²	109.1	79%	0.785	62%	0.623	S	S	*	*			trans	168.8	105.7	142.8	-94.3	160.3	7	0	0	108.2
788	N	27.3	Very low	37.5	Very low	132 Å²	132	109.6 Å²	109.6	71%	0.706	63%	0.628	S	S	*	*				71.3	105.5	84.3	-74.3	-5.2	0	0	0	113.1
789	D	30	Very low	38.2	Very low	145 Å²	145	110.6 Å²	110.6	78%	0.775	64%	0.635	S	S	*	*			trans	62.6	128.8	140.3	-54.9	-35	0	0	0	119.1
790	V	32.9	Very low	39.5	Very low	133 Å²	133	107 Å²	107	81%	0.806	61%	0.61	S	S	*	*	S	Bend	trans	100.8	120.7	168.9	-169.2	0	0	0	0	113.8
791	E	30.4	Very low	41.1	Very low	135 Å²	135	100.6 Å²	100.6	63%	0.631	58%	0.576	S	S	*	*			trans	84.6	81.4	177.6	-64.5	172.9	-160.5	0	0	118	S793 A794	E791-S793 PolarHBondContact O-N 3.02Å; E791-A794 HydrophobicContact CB-CB 4.3Å; E791-A794 PolarHBondContact O-N 3.4Å; E791-A794 VanDerWaalsContact O-N 3.11Å
792	S	35.5	Very low	42.9	Very low	120 Å²	120	100.2 Å²	100.2	84%	0.839	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-9.8	176.7	-52.7	0	0	0	0	116.5	T795	S792-T795 PolarHBondContact O-OG1 2.89Å
793	S	34.9	Very low	44.9	Very low	93 Å²	93	96 Å²	96	65%	0.65	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-30.6	173.9	51.6	0	0	0	0	113	E791 T795 S797	E791-S793 PolarHBondContact O-N 3.02Å; S793-T795 VanDerWaalsContact C-N 3.33Å; S793-T795 PolarHBondContact O-N 3.3Å; S793-S797 PolarHBondContact O-OG 2.92Å
794	A	38.9	Very low	47.1	Very low	42 Å²	42	89.9 Å²	89.9	35%	0.347	50%	0.504	S	S	.	.	H	α-helix	trans	-71.4	-28.6	-177.9	0	0	0	0	0	112.7	E791 S797 T798	E791-A794 HydrophobicContact CB-CB 4.3Å; E791-A794 PolarHBondContact O-N 3.4Å; E791-A794 VanDerWaalsContact O-N 3.11Å; A794-S797 PolarHBondContact O-N 3.33Å; A794-T798 WeakPolarHBondContact O-CG2 3.41Å; A794-T798 PolarHBondContact O-N 3.26Å; A794-T798 PolarHBondContact O-OG1 2.99Å
795	T	41	Very low	49.4	Very low	86 Å²	86	81 Å²	81	53%	0.528	47%	0.47	S	S	.	.	H	α-helix	trans	-65.1	-43.4	177.8	57.6	0	0	0	0	111.5	S792 S793 S797 T798 S799	S792-T795 PolarHBondContact O-OG1 2.89Å; S793-T795 VanDerWaalsContact C-N 3.33Å; S793-T795 PolarHBondContact O-N 3.3Å; T795-S797 VanDerWaalsContact C-N 3.35Å; T795-S797 PolarHBondContact O-N 3.46Å; T795-T798 PolarHBondContact O-N 2.88Å; T795-T798 PolarHBondContact O-OG1 3.15Å; T795-T798 VanDerWaalsContact O-OG1 3.05Å; T795-S799 WeakPolarHBondContact O-CB 3.37Å; T795-S799 PolarHBondContact O-N 3.39Å; T795-S799 PolarHBondContact O-OG 3.39Å; T795-S799 VanDerWaalsContact O-OG 3.05Å
796	G	50.5	Low	51.7	Low	41 Å²	41	78.6 Å²	78.6	42%	0.423	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-43	175.9	0	0	0	0	0	112.3	S799 A800	G796-S799 PolarHBondContact O-N 2.85Å; G796-A800 PolarHBondContact O-N 2.77Å
797	S	52.1	Low	53.8	Low	38 Å²	38	73.5 Å²	73.5	27%	0.266	42%	0.421	S	S	.	.	H	α-helix	trans	-64.6	-46.3	179.5	-52.3	0	0	0	0	112.8	L723 S793 A794 T795 S799 A800 I801	L723-S797 VanDerWaalsContact CD2-OG 3.31Å; L723-S797 WeakPolarHBondContact CD2-OG 3.33Å; S793-S797 PolarHBondContact O-OG 2.92Å; A794-S797 PolarHBondContact O-N 3.33Å; T795-S797 VanDerWaalsContact C-N 3.35Å; T795-S797 PolarHBondContact O-N 3.46Å; S797-S799 VanDerWaalsContact C-N 3.33Å; S797-S799 PolarHBondContact O-N 3.29Å; S797-A800 PolarHBondContact O-N 3.12Å; S797-I801 WeakPolarHBondContact O-CG1 3.09Å; S797-I801 PolarHBondContact O-N 3.39Å; S797-I801 VanDerWaalsContact O-N 3.15Å
798	T	59.5	Low	56.3	Low	54 Å²	54	67.1 Å²	67.1	33%	0.331	39%	0.391	S	S	.	.	H	α-helix	trans	-67.5	-34.7	178.5	51.1	0	0	0	0	111.7	A794 T795 K802	A794-T798 WeakPolarHBondContact O-CG2 3.41Å; A794-T798 PolarHBondContact O-N 3.26Å; A794-T798 PolarHBondContact O-OG1 2.99Å; T795-T798 PolarHBondContact O-N 2.88Å; T795-T798 PolarHBondContact O-OG1 3.15Å; T795-T798 VanDerWaalsContact O-OG1 3.05Å; T798-K802 WeakPolarHBondContact O-CB 3.21Å; T798-K802 VanDerWaalsContact O-CG 3.22Å; T798-K802 WeakPolarHBondContact O-CG 3.17Å; T798-K802 PolarHBondContact O-N 3.49Å
799	S	67.5	Low	58.8	Low	60 Å²	60	63.3 Å²	63.3	42%	0.42	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-46.5	172.6	-68.8	0	0	0	0	112.6	T795 G796 S797 I801 K802 I803	T795-S799 WeakPolarHBondContact O-CB 3.37Å; T795-S799 PolarHBondContact O-N 3.39Å; T795-S799 PolarHBondContact O-OG 3.39Å; T795-S799 VanDerWaalsContact O-OG 3.05Å; G796-S799 PolarHBondContact O-N 2.85Å; S797-S799 VanDerWaalsContact C-N 3.33Å; S797-S799 PolarHBondContact O-N 3.29Å; S799-I801 VanDerWaalsContact C-N 3.35Å; S799-I801 PolarHBondContact O-N 2.98Å; S799-K802 PolarHBondContact O-N 2.82Å; S799-I803 WeakPolarHBondContact O-CD1 3.36Å; S799-I803 WeakPolarHBondContact O-CG1 3.42Å; S799-I803 PolarHBondContact O-N 3.03Å
800	A	69.4	Low	61	Low	12 Å²	12	56.6 Å²	56.6	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-41.5	179.5	0	0	0	0	0	112.3	L723 V726 N730 G796 S797 I803 L804	L723-A800 HydrophobicContact CD1-CB 3.96Å; V726-A800 HydrophobicContact CG1-CB 4.06Å; V726-A800 WeakPolarHBondContact CG1-O 3.49Å; N730-A800 PolarHBondContact ND2-O 3.32Å; G796-A800 PolarHBondContact O-N 2.77Å; S797-A800 PolarHBondContact O-N 3.12Å; A800-I803 PolarHBondContact O-N 2.95Å; A800-L804 PolarHBondContact O-N 3.05Å; A800-L804 VanDerWaalsContact O-N 3.11Å
801	I	72.1	Confident	63.1	Low	15 Å²	15	50.3 Å²	50.3	8%	0.077	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-44.2	176.5	-68.2	166.9	0	0	0	111.1	V772 L777 S797 S799 I803 L804 F805	V772-I801 HydrophobicContact CG1-CB 4.48Å; V772-I801 HydrophobicContact CG1-CD1 3.97Å; V772-I801 HydrophobicContact CG1-CG1 4.02Å; V772-I801 HydrophobicContact CG1-CG2 3.64Å; L777-I801 HydrophobicContact CB-CD1 3.93Å; S797-I801 WeakPolarHBondContact O-CG1 3.09Å; S797-I801 PolarHBondContact O-N 3.39Å; S797-I801 VanDerWaalsContact O-N 3.15Å; S799-I801 VanDerWaalsContact C-N 3.35Å; S799-I801 PolarHBondContact O-N 2.98Å; I801-I803 VanDerWaalsContact C-N 3.31Å; I801-I803 PolarHBondContact O-N 2.92Å; I801-L804 WeakPolarHBondContact O-CB 3.37Å; I801-L804 PolarHBondContact O-N 2.92Å; I801-F805 HydrophobicContact CG2-CD2 3.98Å; I801-F805 HydrophobicContact CG2-CE2 3.52Å; I801-F805 WeakPolarHBondContact O-CD2 3.05Å; I801-F805 PolarHBondContact O-N 2.95Å
802	K	75	Confident	65.5	Low	131 Å²	131	45.5 Å²	45.5	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-60.4	-41.5	175.2	-74.4	173.1	-177.9	-177.9	0	111.6	T798 S799 L804 F805 Y806	T798-K802 WeakPolarHBondContact O-CB 3.21Å; T798-K802 VanDerWaalsContact O-CG 3.22Å; T798-K802 WeakPolarHBondContact O-CG 3.17Å; T798-K802 PolarHBondContact O-N 3.49Å; S799-K802 PolarHBondContact O-N 2.82Å; K802-L804 VanDerWaalsContact C-N 3.31Å; K802-L804 PolarHBondContact O-N 2.86Å; K802-F805 PolarHBondContact O-N 3.05Å; K802-Y806 WeakPolarHBondContact O-CD2 3.49Å; K802-Y806 PolarHBondContact O-N 3.37Å
803	I	74.9	Confident	67.6	Low	17 Å²	17	39.8 Å²	39.8	9%	0.087	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-43.5	175.8	-69.1	162.1	0	0	0	110.8	N730 S799 A800 I801 F805 Y806 L807 P855 L857 V858	N730-I803 HydrophobicContact CB-CG2 4.14Å; S799-I803 WeakPolarHBondContact O-CD1 3.36Å; S799-I803 WeakPolarHBondContact O-CG1 3.42Å; S799-I803 PolarHBondContact O-N 3.03Å; A800-I803 PolarHBondContact O-N 2.95Å; I801-I803 VanDerWaalsContact C-N 3.31Å; I801-I803 PolarHBondContact O-N 2.92Å; I803-F805 PolarHBondContact O-N 2.96Å; I803-Y806 PolarHBondContact O-N 3.15Å; I803-L807 HydrophobicContact CG2-CD1 3.75Å; I803-L807 HydrophobicContact CG2-CG 4.13Å; I803-L807 WeakPolarHBondContact O-CB 3.14Å; I803-L807 VanDerWaalsContact O-CG 3.28Å; I803-L807 WeakPolarHBondContact O-CG 3.4Å; I803-L807 PolarHBondContact O-N 3.39Å; I803-P855 HydrophobicContact CD1-CB 3.72Å; I803-P855 HydrophobicContact CD1-CG 3.71Å; I803-P855 HydrophobicContact CG1-CB 4.08Å; I803-P855 HydrophobicContact CG1-CG 3.77Å; I803-L857 HydrophobicContact CG2-CB 4.25Å; I803-V858 HydrophobicContact CB-CG2 4.4Å; I803-V858 HydrophobicContact CG1-CG2 4.2Å; I803-V858 HydrophobicContact CG2-CG2 3.93Å
804	L	77.2	Confident	69.6	Low	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-46.3	178.5	178.5	62.5	0	0	0	112.1	V726 I729 N730 L733 A765 I768 A769 A800 I801 K802 L807 L808	V726-L804 HydrophobicContact CG1-CB 4.29Å; V726-L804 HydrophobicContact CG1-CD2 4.41Å; V726-L804 HydrophobicContact CG2-CD2 4.29Å; I729-L804 HydrophobicContact CG2-CD1 3.9Å; N730-L804 WeakPolarHBondContact OD1-CA 3.41Å; N730-L804 VanDerWaalsContact OD1-CB 3.32Å; N730-L804 WeakPolarHBondContact OD1-CB 3.48Å; N730-L804 WeakPolarHBondContact OD1-CD1 3.47Å; N730-L804 PolarHBondContact OD1-N 3.13Å; L733-L804 HydrophobicContact CD1-CD1 3.81Å; A765-L804 HydrophobicContact CB-CD1 4.34Å; I768-L804 HydrophobicContact CB-CD2 4.47Å; I768-L804 HydrophobicContact CG2-CD2 3.9Å; A769-L804 HydrophobicContact CB-CD2 4.2Å; A800-L804 PolarHBondContact O-N 3.05Å; A800-L804 VanDerWaalsContact O-N 3.11Å; I801-L804 WeakPolarHBondContact O-CB 3.37Å; I801-L804 PolarHBondContact O-N 2.92Å; K802-L804 VanDerWaalsContact C-N 3.31Å; K802-L804 PolarHBondContact O-N 2.86Å; L804-L807 PolarHBondContact O-N 2.74Å; L804-L808 WeakPolarHBondContact O-CB 3.11Å; L804-L808 PolarHBondContact O-N 3Å
805	F	79.6	Confident	71.5	Confident	27 Å²	27	36.6 Å²	36.6	12%	0.118	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-43.2	178.2	-70.2	-63.5	0	0	0	112.1	A769 R773 I801 K802 I803 L807 L808 D809	A769-F805 HydrophobicContact CB-CE1 3.86Å; A769-F805 HydrophobicContact CB-CZ 4.42Å; R773-F805 HydrophobicContact CG-CE1 4.28Å; R773-F805 HydrophobicContact CG-CZ 3.81Å; R773-F805 VanDerWaalsContact NH2-CE1 3.33Å; I801-F805 HydrophobicContact CG2-CD2 3.98Å; I801-F805 HydrophobicContact CG2-CE2 3.52Å; I801-F805 WeakPolarHBondContact O-CD2 3.05Å; I801-F805 PolarHBondContact O-N 2.95Å; K802-F805 PolarHBondContact O-N 3.05Å; I803-F805 PolarHBondContact O-N 2.96Å; F805-L807 VanDerWaalsContact C-N 3.32Å; F805-L807 PolarHBondContact O-N 3.46Å; F805-L808 PolarHBondContact O-N 3.18Å; F805-D809 WeakPolarHBondContact O-CB 3.38Å; F805-D809 PolarHBondContact O-N 3.01Å
806	Y	78.5	Confident	73.3	Confident	94 Å²	94	34.2 Å²	34.2	37%	0.369	19%	0.192	S	C	.	.	H	α-helix	trans	-60.5	-40.8	174.6	-79.6	-61.3	0	0	0	112.7	K802 I803 L810	K802-Y806 WeakPolarHBondContact O-CD2 3.49Å; K802-Y806 PolarHBondContact O-N 3.37Å; I803-Y806 PolarHBondContact O-N 3.15Å; Y806-L810 VanDerWaalsContact O-CB 3.28Å; Y806-L810 WeakPolarHBondContact O-CB 3.48Å; Y806-L810 PolarHBondContact O-N 3.17Å
807	L	76.4	Confident	74.6	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-38.3	176.9	-71.7	176.5	0	0	0	111.4	N730 L733 I737 I803 L804 F805 L810 A811 P861	N730-L807 HydrophobicContact CB-CD1 4.05Å; L733-L807 HydrophobicContact CB-CD1 4.16Å; L733-L807 HydrophobicContact CD1-CB 4.47Å; I737-L807 HydrophobicContact CD1-CB 3.79Å; I737-L807 HydrophobicContact CD1-CD2 3.39Å; I737-L807 HydrophobicContact CD1-CG 4.13Å; I737-L807 WeakPolarHBondContact CD1-O 3.19Å; I803-L807 HydrophobicContact CG2-CD1 3.75Å; I803-L807 HydrophobicContact CG2-CG 4.13Å; I803-L807 WeakPolarHBondContact O-CB 3.14Å; I803-L807 VanDerWaalsContact O-CG 3.28Å; I803-L807 WeakPolarHBondContact O-CG 3.4Å; I803-L807 PolarHBondContact O-N 3.39Å; L804-L807 PolarHBondContact O-N 2.74Å; F805-L807 VanDerWaalsContact C-N 3.32Å; F805-L807 PolarHBondContact O-N 3.46Å; L807-L810 PolarHBondContact O-N 3.04Å; L807-A811 WeakPolarHBondContact O-CB 3.43Å; L807-A811 PolarHBondContact O-N 2.85Å; L807-P861 HydrophobicContact CD2-CG 4.26Å
808	L	78.9	Confident	75.8	Confident	33 Å²	33	34.4 Å²	34.4	17%	0.173	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-42.3	177.9	-171.3	67.7	0	0	0	112.2	T766 A769 L804 F805 L810 A811 S812	T766-L808 HydrophobicContact CG2-CD1 3.56Å; T766-L808 HydrophobicContact CG2-CD2 3.98Å; T766-L808 HydrophobicContact CG2-CG 4.36Å; A769-L808 HydrophobicContact CB-CD2 4.36Å; L804-L808 WeakPolarHBondContact O-CB 3.11Å; L804-L808 PolarHBondContact O-N 3Å; F805-L808 PolarHBondContact O-N 3.18Å; L808-L810 VanDerWaalsContact C-N 3.27Å; L808-L810 PolarHBondContact O-N 2.97Å; L808-A811 WeakPolarHBondContact O-CB 3.5Å; L808-A811 PolarHBondContact O-N 3.4Å; L808-S812 PolarHBondContact O-N 3Å
809	D	79.2	Confident	76.8	Confident	53 Å²	53	34.5 Å²	34.5	28%	0.283	19%	0.187	S	C	.	.	H	α-helix	trans	-67.7	-30	175.3	-68.6	-24.7	0	0	0	112	F805 S812 F813 H828 L832	F805-D809 WeakPolarHBondContact O-CB 3.38Å; F805-D809 PolarHBondContact O-N 3.01Å; D809-S812 WeakPolarHBondContact CA-OG 3.34Å; D809-S812 PolarHBondContact O-OG 3.29Å; D809-F813 PolarHBondContact O-N 3.43Å; D809-F813 VanDerWaalsContact O-N 3.13Å; D809-H828 PolarHBondContact O-CE1 3.22Å; D809-L832 HydrophobicContact CB-CD1 4.08Å; D809-L832 HydrophobicContact CB-CD2 3.64Å; D809-L832 HydrophobicContact CB-CG 4.44Å
810	L	76.4	Confident	77.4	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-71.5	-38.6	172.6	-163.9	64.6	0	0	0	111.2	I737 Y806 L807 L808 F813 F814 P861 A865	I737-L810 HydrophobicContact CD1-CB 4.4Å; I737-L810 HydrophobicContact CD1-CD2 4.32Å; I737-L810 HydrophobicContact CG2-CD2 4.25Å; I737-L810 HydrophobicContact CG2-CG 4.2Å; Y806-L810 VanDerWaalsContact O-CB 3.28Å; Y806-L810 WeakPolarHBondContact O-CB 3.48Å; Y806-L810 PolarHBondContact O-N 3.17Å; L807-L810 PolarHBondContact O-N 3.04Å; L808-L810 VanDerWaalsContact C-N 3.27Å; L808-L810 PolarHBondContact O-N 2.97Å; L810-F813 WeakPolarHBondContact O-CB 3.32Å; L810-F813 PolarHBondContact O-N 3.25Å; L810-F814 HydrophobicContact CD1-CE2 4.3Å; L810-F814 HydrophobicContact CD2-CE2 4.27Å; L810-F814 HydrophobicContact CG-CD2 4.21Å; L810-F814 HydrophobicContact CG-CE2 3.82Å; L810-F814 WeakPolarHBondContact O-CD2 3.28Å; L810-F814 PolarHBondContact O-N 3.26Å; L810-F814 VanDerWaalsContact O-N 3.08Å; L810-P861 HydrophobicContact CD2-CB 3.47Å; L810-P861 VanDerWaalsContact CD2-CB 3.47Å; L810-P861 HydrophobicContact CD2-CG 3.34Å; L810-A865 HydrophobicContact CD1-CB 3.66Å
811	A	77.5	Confident	78.2	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-42.4	174.9	0	0	0	0	0	112.2	R758 L762 L807 L808 F813 F814 D815	R758-A811 PolarHBondContact NH2-O 2.98Å; L762-A811 HydrophobicContact CD1-CB 4.4Å; L762-A811 HydrophobicContact CD2-CB 3.43Å; L762-A811 VanDerWaalsContact CD2-CB 3.43Å; L807-A811 WeakPolarHBondContact O-CB 3.43Å; L807-A811 PolarHBondContact O-N 2.85Å; L808-A811 WeakPolarHBondContact O-CB 3.5Å; L808-A811 PolarHBondContact O-N 3.4Å; A811-F813 VanDerWaalsContact C-N 3.29Å; A811-F813 PolarHBondContact O-N 3.2Å; A811-F814 PolarHBondContact O-N 2.89Å; A811-D815 PolarHBondContact O-N 3.2Å
812	S	81.4	Confident	78.4	Confident	34 Å²	34	44.8 Å²	44.8	24%	0.238	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-34.4	175.1	66	0	0	0	0	112.1	L808 D809 D815 L816 H828	L808-S812 PolarHBondContact O-N 3Å; D809-S812 WeakPolarHBondContact CA-OG 3.34Å; D809-S812 PolarHBondContact O-OG 3.29Å; S812-D815 PolarHBondContact O-N 2.9Å; S812-L816 VanDerWaalsContact O-CG 3.31Å; S812-L816 WeakPolarHBondContact O-CG 3.34Å; S812-L816 PolarHBondContact O-N 2.92Å; S812-H828 PolarHBondContact OG-CE1 3.3Å; S812-H828 PolarHBondContact OG-NE2 3.49Å
813	F	79.4	Confident	78.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-51.4	170.2	168.3	-102.6	0	0	0	111.4	D809 L810 A811 D815 L816 V817 A825 I829 A865 A868 L869	D809-F813 PolarHBondContact O-N 3.43Å; D809-F813 VanDerWaalsContact O-N 3.13Å; L810-F813 WeakPolarHBondContact O-CB 3.32Å; L810-F813 PolarHBondContact O-N 3.25Å; A811-F813 VanDerWaalsContact C-N 3.29Å; A811-F813 PolarHBondContact O-N 3.2Å; F813-D815 VanDerWaalsContact C-N 3.29Å; F813-D815 PolarHBondContact O-N 3.16Å; F813-L816 PolarHBondContact O-N 3.38Å; F813-L816 VanDerWaalsContact O-N 3.13Å; F813-V817 HydrophobicContact CD1-CG2 4.31Å; F813-V817 HydrophobicContact CD2-CG2 4.31Å; F813-V817 HydrophobicContact CE1-CG2 3.89Å; F813-V817 HydrophobicContact CE2-CG2 3.89Å; F813-V817 HydrophobicContact CZ-CG2 3.65Å; F813-V817 VanDerWaalsContact O-CG2 3.26Å; F813-V817 WeakPolarHBondContact O-CG2 3.46Å; F813-V817 PolarHBondContact O-N 3.45Å; F813-A825 HydrophobicContact CD2-CB 4.04Å; F813-A825 VanDerWaalsContact CD2-O 3.27Å; F813-A825 WeakPolarHBondContact CD2-O 3.46Å; F813-A825 HydrophobicContact CE2-CB 3.88Å; F813-A825 WeakPolarHBondContact CE2-O 3.25Å; F813-I829 HydrophobicContact CD1-CD1 3.85Å; F813-I829 HydrophobicContact CD2-CB 3.76Å; F813-I829 HydrophobicContact CD2-CD1 3.83Å; F813-I829 HydrophobicContact CD2-CG1 4.25Å; F813-I829 HydrophobicContact CD2-CG2 4.47Å; F813-I829 HydrophobicContact CE1-CD1 3.67Å; F813-I829 HydrophobicContact CE2-CB 3.83Å; F813-I829 HydrophobicContact CE2-CD1 3.65Å; F813-I829 HydrophobicContact CE2-CG1 4.33Å; F813-I829 HydrophobicContact CE2-CG2 4.07Å; F813-I829 HydrophobicContact CG-CB 4.45Å; F813-I829 HydrophobicContact CG-CD1 3.91Å; F813-I829 HydrophobicContact CZ-CD1 3.57Å; F813-A865 HydrophobicContact CD1-CB 4.47Å; F813-A865 HydrophobicContact CE1-CB 4.23Å; F813-A868 HydrophobicContact CE1-CB 3.87Å; F813-A868 HydrophobicContact CZ-CB 4.22Å; F813-L869 HydrophobicContact CZ-CB 4.22Å
814	F	77.5	Confident	79	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-37	177.2	-75.2	-71.6	0	0	0	112.5	I737 T739 F742 L810 A811 L816 V817 D818 W864 A865 A868	I737-F814 HydrophobicContact CG2-CD2 3.34Å; I737-F814 HydrophobicContact CG2-CE2 3.44Å; I737-F814 VanDerWaalsContact CG2-CE2 3.44Å; I737-F814 HydrophobicContact CG2-CG 4.48Å; T739-F814 HydrophobicContact CG2-CB 4.35Å; F742-F814 HydrophobicContact CE2-CD1 4.44Å; F742-F814 HydrophobicContact CE2-CE1 4.18Å; L810-F814 HydrophobicContact CD1-CE2 4.3Å; L810-F814 HydrophobicContact CD2-CE2 4.27Å; L810-F814 HydrophobicContact CG-CD2 4.21Å; L810-F814 HydrophobicContact CG-CE2 3.82Å; L810-F814 WeakPolarHBondContact O-CD2 3.28Å; L810-F814 PolarHBondContact O-N 3.26Å; L810-F814 VanDerWaalsContact O-N 3.08Å; A811-F814 PolarHBondContact O-N 2.89Å; F814-L816 VanDerWaalsContact C-N 3.33Å; F814-L816 PolarHBondContact O-N 2.95Å; F814-V817 WeakPolarHBondContact O-CB 3.39Å; F814-V817 PolarHBondContact O-N 3.06Å; F814-D818 PolarHBondContact O-N 2.87Å; F814-W864 HydrophobicContact CE1-CB 4.44Å; F814-W864 HydrophobicContact CZ-CB 4.02Å; F814-A865 HydrophobicContact CE2-CB 4.21Å; F814-A865 HydrophobicContact CZ-CB 3.86Å; F814-A868 HydrophobicContact CD1-CB 4.28Å; F814-A868 HydrophobicContact CE1-CB 3.87Å
815	D	78.7	Confident	79.1	Confident	68 Å²	68	43.8 Å²	43.8	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-38.8	174.2	-70.4	-28	0	0	0	112.7	R758 A811 S812 F813 A819	R758-D815 IonicContact CZ-OD1 2.71Å; R758-D815 IonicContact NH1-OD1 3.57Å; R758-D815 PolarHBondContact NH1-OD1 3.33Å; R758-D815 IonicContact NH2-OD1 2.72Å; R758-D815 PolarHBondContact NH2-OD1 2.75Å; R758-D815 IonicContact NH2-OD2 3.48Å; A811-D815 PolarHBondContact O-N 3.2Å; S812-D815 PolarHBondContact O-N 2.9Å; F813-D815 VanDerWaalsContact C-N 3.29Å; F813-D815 PolarHBondContact O-N 3.16Å; D815-A819 VanDerWaalsContact O-CB 3.28Å; D815-A819 WeakPolarHBondContact O-CB 3.33Å; D815-A819 PolarHBondContact O-N 3.29Å
816	L	78.4	Confident	78.9	Confident	36 Å²	36	42.7 Å²	42.7	19%	0.188	22%	0.218	C	C	.	.	H	α-helix	trans	-69.6	-33.8	176.7	-70.5	169.5	0	0	0	112.4	S812 F813 F814 R821 A824 A825 H828	S812-L816 VanDerWaalsContact O-CG 3.31Å; S812-L816 WeakPolarHBondContact O-CG 3.34Å; S812-L816 PolarHBondContact O-N 2.92Å; F813-L816 PolarHBondContact O-N 3.38Å; F813-L816 VanDerWaalsContact O-N 3.13Å; F814-L816 VanDerWaalsContact C-N 3.33Å; F814-L816 PolarHBondContact O-N 2.95Å; L816-R821 HydrophobicContact CD2-CB 4.43Å; L816-R821 PolarHBondContact O-N 3.11Å; L816-A824 HydrophobicContact CD1-CB 4.44Å; L816-A824 HydrophobicContact CD2-CB 4.16Å; L816-A825 HydrophobicContact CB-CB 3.77Å; L816-H828 HydrophobicContact CD1-CB 3.97Å
817	V	76.8	Confident	79	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.024	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-49.2	174.4	175.8	0	0	0	0	109.7	F813 F814 A819 E820 W822 A825 A868	F813-V817 HydrophobicContact CD1-CG2 4.31Å; F813-V817 HydrophobicContact CD2-CG2 4.31Å; F813-V817 HydrophobicContact CE1-CG2 3.89Å; F813-V817 HydrophobicContact CE2-CG2 3.89Å; F813-V817 HydrophobicContact CZ-CG2 3.65Å; F813-V817 VanDerWaalsContact O-CG2 3.26Å; F813-V817 WeakPolarHBondContact O-CG2 3.46Å; F813-V817 PolarHBondContact O-N 3.45Å; F814-V817 WeakPolarHBondContact O-CB 3.39Å; F814-V817 PolarHBondContact O-N 3.06Å; V817-A819 VanDerWaalsContact C-N 3.31Å; V817-A819 PolarHBondContact O-N 2.98Å; V817-E820 PolarHBondContact O-N 2.71Å; V817-W822 HydrophobicContact CG1-CZ3 3.9Å; V817-W822 WeakPolarHBondContact O-CZ3 3.48Å; V817-A825 HydrophobicContact CG2-CB 4.03Å; V817-A868 HydrophobicContact CG1-CB 4.26Å; V817-A868 HydrophobicContact CG2-CB 4.33Å
818	D	77.3	Confident	79.1	Confident	80 Å²	80	43.6 Å²	43.6	43%	0.428	23%	0.227	S	C	.	.	H	α-helix	trans	-66.6	-33.4	-179.7	-68.4	-14.7	0	0	0	112	T739 F814 E820	T739-D818 WeakPolarHBondContact CB-OD2 3.29Å; T739-D818 WeakPolarHBondContact CG2-OD2 3.21Å; T739-D818 PolarHBondContact OG1-OD1 2.64Å; T739-D818 PolarHBondContact OG1-OD2 3.16Å; F814-D818 PolarHBondContact O-N 2.87Å; D818-E820 PolarHBondContact O-N 2.67Å; D818-E820 VanDerWaalsContact O-N 3.15Å
819	A	81.9	Confident	79.1	Confident	55 Å²	55	42 Å²	42	46%	0.455	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	5.8	172.8	0	0	0	0	0	114.2	D815 V817 R821	D815-A819 VanDerWaalsContact O-CB 3.28Å; D815-A819 WeakPolarHBondContact O-CB 3.33Å; D815-A819 PolarHBondContact O-N 3.29Å; V817-A819 VanDerWaalsContact C-N 3.31Å; V817-A819 PolarHBondContact O-N 2.98Å; A819-R821 HydrophobicContact CB-CG 4.26Å; A819-R821 PolarHBondContact O-N 3.23Å; A819-R821 VanDerWaalsContact O-N 3.08Å
820	E	80.2	Confident	79	Confident	115 Å²	115	41.2 Å²	41.2	54%	0.537	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	22.2	-174.7	-55.1	-168.3	174.2	0	0	115	V817 D818 W822 R879	V817-E820 PolarHBondContact O-N 2.71Å; D818-E820 PolarHBondContact O-N 2.67Å; D818-E820 VanDerWaalsContact O-N 3.15Å; E820-W822 HydrophobicContact CB-CH2 4.43Å; E820-W822 HydrophobicContact CB-CZ2 3.69Å; E820-W822 HydrophobicContact CG-CH2 4.31Å; E820-W822 HydrophobicContact CG-CZ2 3.74Å; E820-W822 VanDerWaalsContact O-CD1 3.23Å; E820-W822 PolarHBondContact O-N 3.28Å; E820-W822 VanDerWaalsContact O-N 3.08Å; E820-W822 PolarHBondContact O-NE1 3.19Å; E820-R879 IonicContact OE2-NH2 2.87Å; E820-R879 PolarHBondContact OE2-NH2 2.91Å
821	R	84.2	Confident	79.1	Confident	164 Å²	164	48.7 Å²	48.7	62%	0.619	25%	0.25	S	C	*	.			trans	-88.4	62	177.8	-65.6	-176.2	-174.6	170	2.7	110	L816 A819 Q823 A824 A825	L816-R821 HydrophobicContact CD2-CB 4.43Å; L816-R821 PolarHBondContact O-N 3.11Å; A819-R821 HydrophobicContact CB-CG 4.26Å; A819-R821 PolarHBondContact O-N 3.23Å; A819-R821 VanDerWaalsContact O-N 3.08Å; R821-Q823 VanDerWaalsContact C-N 3.28Å; R821-Q823 PolarHBondContact O-N 3.04Å; R821-Q823 VanDerWaalsContact O-N 3.14Å; R821-A824 HydrophobicContact CB-CB 4.26Å; R821-A824 PolarHBondContact O-N 2.99Å; R821-A824 VanDerWaalsContact O-N 3.11Å; R821-A825 PolarHBondContact O-N 2.92Å
822	W	78	Confident	78.8	Confident	24 Å²	24	50 Å²	50	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-53.1	-40.8	-171.2	-44.6	111.8	0	0	0	114	V817 E820 A825 I826 C872 A875 R879	V817-W822 HydrophobicContact CG1-CZ3 3.9Å; V817-W822 WeakPolarHBondContact O-CZ3 3.48Å; E820-W822 HydrophobicContact CB-CH2 4.43Å; E820-W822 HydrophobicContact CB-CZ2 3.69Å; E820-W822 HydrophobicContact CG-CH2 4.31Å; E820-W822 HydrophobicContact CG-CZ2 3.74Å; E820-W822 VanDerWaalsContact O-CD1 3.23Å; E820-W822 PolarHBondContact O-N 3.28Å; E820-W822 VanDerWaalsContact O-N 3.08Å; E820-W822 PolarHBondContact O-NE1 3.19Å; W822-A825 PolarHBondContact O-N 3.24Å; W822-I826 WeakPolarHBondContact O-CD1 3.38Å; W822-I826 VanDerWaalsContact O-CG1 3.24Å; W822-I826 WeakPolarHBondContact O-CG1 3.46Å; W822-I826 PolarHBondContact O-N 3.49Å; W822-C872 HydrophobicContact CB-CB 4.43Å; W822-C872 HydrophobicContact CE3-CB 4.1Å; W822-C872 VanDerWaalsContact CE3-SG 3.59Å; W822-A875 HydrophobicContact CD2-CB 4.02Å; W822-A875 HydrophobicContact CG-CB 4.33Å; W822-A875 HydrophobicContact CZ2-CB 4.28Å; W822-R879 VanDerWaalsContact NE1-CZ 3.29Å
823	Q	79.2	Confident	78.3	Confident	84 Å²	84	49.7 Å²	49.7	39%	0.393	26%	0.259	S	S	.	.	H	α-helix	trans	-67.8	-46.2	-179	-173.4	58.3	38.4	0	0	111.7	R821 A825 I826 D827	R821-Q823 VanDerWaalsContact C-N 3.28Å; R821-Q823 PolarHBondContact O-N 3.04Å; R821-Q823 VanDerWaalsContact O-N 3.14Å; Q823-A825 VanDerWaalsContact C-N 3.29Å; Q823-A825 PolarHBondContact O-N 3.45Å; Q823-I826 PolarHBondContact O-N 3.08Å; Q823-D827 PolarHBondContact NE2-OD1 2.89Å; Q823-D827 PolarHBondContact NE2-OD2 3.32Å; Q823-D827 PolarHBondContact O-N 2.77Å
824	A	82.2	Confident	77.7	Confident	44 Å²	44	50.1 Å²	50.1	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-37.4	177.3	0	0	0	0	0	111.6	L816 R821 D827 H828	L816-A824 HydrophobicContact CD1-CB 4.44Å; L816-A824 HydrophobicContact CD2-CB 4.16Å; R821-A824 HydrophobicContact CB-CB 4.26Å; R821-A824 PolarHBondContact O-N 2.99Å; R821-A824 VanDerWaalsContact O-N 3.11Å; A824-D827 PolarHBondContact O-N 3.14Å; A824-H828 VanDerWaalsContact O-CB 3.26Å; A824-H828 WeakPolarHBondContact O-CB 3.43Å; A824-H828 PolarHBondContact O-N 2.7Å
825	A	78.9	Confident	77.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-44.6	175.7	0	0	0	0	0	112.2	F813 L816 V817 R821 W822 Q823 H828 I829	F813-A825 HydrophobicContact CD2-CB 4.04Å; F813-A825 VanDerWaalsContact CD2-O 3.27Å; F813-A825 WeakPolarHBondContact CD2-O 3.46Å; F813-A825 HydrophobicContact CE2-CB 3.88Å; F813-A825 WeakPolarHBondContact CE2-O 3.25Å; L816-A825 HydrophobicContact CB-CB 3.77Å; V817-A825 HydrophobicContact CG2-CB 4.03Å; R821-A825 PolarHBondContact O-N 2.92Å; W822-A825 PolarHBondContact O-N 3.24Å; Q823-A825 VanDerWaalsContact C-N 3.29Å; Q823-A825 PolarHBondContact O-N 3.45Å; A825-H828 PolarHBondContact O-N 2.88Å; A825-I829 PolarHBondContact O-N 2.91Å
826	I	76.6	Confident	76.8	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-47.2	177.6	-68.2	163.8	0	0	0	110.5	W822 Q823 H828 I829 D830 L869 C872 L873 K876 R904	W822-I826 WeakPolarHBondContact O-CD1 3.38Å; W822-I826 VanDerWaalsContact O-CG1 3.24Å; W822-I826 WeakPolarHBondContact O-CG1 3.46Å; W822-I826 PolarHBondContact O-N 3.49Å; Q823-I826 PolarHBondContact O-N 3.08Å; I826-H828 VanDerWaalsContact C-N 3.29Å; I826-H828 PolarHBondContact O-N 3.36Å; I826-I829 WeakPolarHBondContact O-CG2 3.43Å; I826-I829 PolarHBondContact O-N 3.15Å; I826-D830 WeakPolarHBondContact O-CB 3.27Å; I826-D830 VanDerWaalsContact O-CG 3.24Å; I826-D830 PolarHBondContact O-N 3.01Å; I826-L869 HydrophobicContact CG1-CD1 4.02Å; I826-C872 HydrophobicContact CD1-CB 4.05Å; I826-C872 HydrophobicContact CG1-CB 3.92Å; I826-L873 HydrophobicContact CD1-CD2 4Å; I826-K876 HydrophobicContact CD1-CD 4.23Å; I826-R904 VanDerWaalsContact CG2-NH1 3.32Å
827	D	79.9	Confident	76	Confident	70 Å²	70	49.7 Å²	49.7	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-36.9	-179.8	-61.7	-25	0	0	0	111.2	Q823 A824 Q831	Q823-D827 PolarHBondContact NE2-OD1 2.89Å; Q823-D827 PolarHBondContact NE2-OD2 3.32Å; Q823-D827 PolarHBondContact O-N 2.77Å; A824-D827 PolarHBondContact O-N 3.14Å; D827-Q831 WeakPolarHBondContact O-CG 3.2Å; D827-Q831 PolarHBondContact O-N 3.12Å
828	H	78.9	Confident	75.4	Confident	43 Å²	43	51.9 Å²	51.9	20%	0.199	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-43.4	176.6	-169.2	-77.3	0	0	0	112.3	D809 S812 L816 A824 A825 I826 D830 Q831 L832	D809-H828 PolarHBondContact O-CE1 3.22Å; S812-H828 PolarHBondContact OG-CE1 3.3Å; S812-H828 PolarHBondContact OG-NE2 3.49Å; L816-H828 HydrophobicContact CD1-CB 3.97Å; A824-H828 VanDerWaalsContact O-CB 3.26Å; A824-H828 WeakPolarHBondContact O-CB 3.43Å; A824-H828 PolarHBondContact O-N 2.7Å; A825-H828 PolarHBondContact O-N 2.88Å; I826-H828 VanDerWaalsContact C-N 3.29Å; I826-H828 PolarHBondContact O-N 3.36Å; H828-D830 VanDerWaalsContact C-N 3.34Å; H828-Q831 PolarHBondContact O-N 2.97Å; H828-L832 PolarHBondContact O-N 3.17Å
829	I	78.4	Confident	74.7	Confident	1 Å²	1	52 Å²	52	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-74.4	-27.7	179.9	-151.8	160.4	0	0	0	112.9	F813 A825 I826 Q831 L832 F835 A865 L869	F813-I829 HydrophobicContact CD1-CD1 3.85Å; F813-I829 HydrophobicContact CD2-CB 3.76Å; F813-I829 HydrophobicContact CD2-CD1 3.83Å; F813-I829 HydrophobicContact CD2-CG1 4.25Å; F813-I829 HydrophobicContact CD2-CG2 4.47Å; F813-I829 HydrophobicContact CE1-CD1 3.67Å; F813-I829 HydrophobicContact CE2-CB 3.83Å; F813-I829 HydrophobicContact CE2-CD1 3.65Å; F813-I829 HydrophobicContact CE2-CG1 4.33Å; F813-I829 HydrophobicContact CE2-CG2 4.07Å; F813-I829 HydrophobicContact CG-CB 4.45Å; F813-I829 HydrophobicContact CG-CD1 3.91Å; F813-I829 HydrophobicContact CZ-CD1 3.57Å; A825-I829 PolarHBondContact O-N 2.91Å; I826-I829 WeakPolarHBondContact O-CG2 3.43Å; I826-I829 PolarHBondContact O-N 3.15Å; I829-Q831 VanDerWaalsContact C-N 3.32Å; I829-L832 HydrophobicContact CG1-CD1 4.47Å; I829-L832 PolarHBondContact O-N 3.4Å; I829-F835 HydrophobicContact CD1-CD2 3.62Å; I829-F835 HydrophobicContact CD1-CE2 3.51Å; I829-F835 HydrophobicContact CG1-CD2 3.89Å; I829-F835 HydrophobicContact CG1-CE2 4.17Å; I829-A865 HydrophobicContact CD1-CB 4.47Å; I829-L869 HydrophobicContact CG2-CD1 3.85Å; I829-L869 HydrophobicContact CG2-CD2 4.21Å
830	D	77.7	Confident	73.9	Confident	35 Å²	35	54.7 Å²	54.7	19%	0.187	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-36.6	172.1	-76.1	-25.3	0	0	0	111.8	I826 H828 L832 G833 R904	I826-D830 WeakPolarHBondContact O-CB 3.27Å; I826-D830 VanDerWaalsContact O-CG 3.24Å; I826-D830 PolarHBondContact O-N 3.01Å; H828-D830 VanDerWaalsContact C-N 3.34Å; D830-L832 PolarHBondContact O-N 2.96Å; D830-G833 PolarHBondContact O-N 3.3Å; D830-R904 VanDerWaalsContact CG-NH1 3.33Å; D830-R904 IonicContact OD1-CZ 3.56Å; D830-R904 IonicContact OD1-NH1 2.76Å; D830-R904 PolarHBondContact OD1-NH1 3.23Å; D830-R904 VanDerWaalsContact OD1-NH1 3.12Å; D830-R904 IonicContact OD1-NH2 3.47Å; D830-R904 PolarHBondContact OD1-NH2 2.98Å; D830-R904 IonicContact OD2-CZ 3.58Å; D830-R904 IonicContact OD2-NH1 3.4Å; D830-R904 PolarHBondContact OD2-NH1 3.46Å; D830-R904 IonicContact OD2-NH2 2.77Å; D830-R904 PolarHBondContact OD2-NH2 3.18Å
831	Q	77.5	Confident	72.9	Confident	160 Å²	160	52.5 Å²	52.5	75%	0.748	28%	0.281	S	S	*	.	H	α-helix	trans	-64.1	-30.1	174	-72	171.1	20.5	0	0	112.7	D827 H828 I829 G833	D827-Q831 WeakPolarHBondContact O-CG 3.2Å; D827-Q831 PolarHBondContact O-N 3.12Å; H828-Q831 PolarHBondContact O-N 2.97Å; I829-Q831 VanDerWaalsContact C-N 3.32Å; Q831-G833 VanDerWaalsContact C-N 3.28Å; Q831-G833 PolarHBondContact O-N 3.19Å
832	L	72.2	Confident	72	Confident	29 Å²	29	48 Å²	48	15%	0.152	28%	0.275	C	S	.	.	H	α-helix	trans	-73.3	-18.9	176.9	-65.8	170.9	0	0	0	113.3	D809 H828 I829 D830 L834	D809-L832 HydrophobicContact CB-CD1 4.08Å; D809-L832 HydrophobicContact CB-CD2 3.64Å; D809-L832 HydrophobicContact CB-CG 4.44Å; H828-L832 PolarHBondContact O-N 3.17Å; I829-L832 HydrophobicContact CG1-CD1 4.47Å; I829-L832 PolarHBondContact O-N 3.4Å; D830-L832 PolarHBondContact O-N 2.96Å; L832-L834 HydrophobicContact CB-CD1 3.82Å; L832-L834 HydrophobicContact CB-CG 3.98Å; L832-L834 HydrophobicContact CD1-CD1 4.08Å; L832-L834 PolarHBondContact O-N 3.31Å; L832-L834 VanDerWaalsContact O-N 3.12Å
833	G	69.7	Low	71.4	Confident	28 Å²	28	49.6 Å²	49.6	29%	0.289	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	13.9	178.3	0	0	0	0	0	115.2	D830 Q831	D830-G833 PolarHBondContact O-N 3.3Å; Q831-G833 VanDerWaalsContact C-N 3.28Å; Q831-G833 PolarHBondContact O-N 3.19Å
834	L	68.3	Low	70.6	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.042	27%	0.27	C	S	.	.			trans	-76	-26.5	-175	-68.4	166	0	0	0	113.3	L832 L854 L862	L832-L834 HydrophobicContact CB-CD1 3.82Å; L832-L834 HydrophobicContact CB-CG 3.98Å; L832-L834 HydrophobicContact CD1-CD1 4.08Å; L832-L834 PolarHBondContact O-N 3.31Å; L832-L834 VanDerWaalsContact O-N 3.12Å; L834-L854 HydrophobicContact CD2-CD1 3.71Å; L834-L862 HydrophobicContact CB-CD2 4.41Å; L834-L862 HydrophobicContact CD1-CD2 3.96Å; L834-L862 HydrophobicContact CD2-CD2 4.42Å; L834-L862 HydrophobicContact CG-CD2 4.5Å
835	F	69.6	Low	69.9	Low	5 Å²	5	49 Å²	49	2%	0.022	28%	0.276	C	S	.	.	S	Bend	trans	-124.2	149.3	-176	-64	-62.5	0	0	0	111.5	I829 I837 L862 A865 L866 L869 L908 Y911	I829-F835 HydrophobicContact CD1-CD2 3.62Å; I829-F835 HydrophobicContact CD1-CE2 3.51Å; I829-F835 HydrophobicContact CG1-CD2 3.89Å; I829-F835 HydrophobicContact CG1-CE2 4.17Å; F835-I837 PolarHBondContact O-N 3.27Å; F835-L862 HydrophobicContact CE2-CD2 4.43Å; F835-L862 HydrophobicContact CZ-CD2 3.98Å; F835-A865 HydrophobicContact CE2-CB 4.1Å; F835-A865 HydrophobicContact CZ-CB 4.18Å; F835-L866 HydrophobicContact CD1-CD1 3.85Å; F835-L866 HydrophobicContact CE1-CB 3.81Å; F835-L866 HydrophobicContact CE1-CD1 3.8Å; F835-L866 HydrophobicContact CE1-CG 4.37Å; F835-L866 HydrophobicContact CZ-CB 3.87Å; F835-L866 HydrophobicContact CZ-CD1 4.49Å; F835-L869 HydrophobicContact CB-CD2 4.11Å; F835-L869 HydrophobicContact CD2-CD2 3.97Å; F835-L869 HydrophobicContact CG-CD2 4.17Å; F835-L908 HydrophobicContact CB-CD2 3.95Å; F835-L908 HydrophobicContact CD1-CD2 4.45Å; F835-L908 HydrophobicContact CG-CD2 4.4Å; F835-Y911 HydrophobicContact CD1-CD1 4.29Å; F835-Y911 AromaticContact CD1-CE1 3.75Å; F835-Y911 HydrophobicContact CD1-CE1 3.75Å; F835-Y911 AromaticContact CE1-CE1 3.92Å; F835-Y911 HydrophobicContact CE1-CE1 3.92Å
836	P	65.9	Low	69.5	Low	1 Å²	1	55.2 Å²	55.2	1%	0.006	30%	0.303	C	S	.	.			trans	-66.5	124.9	179.8	27.1	-35.6	0	0	0	111.4	V844 A907 L908 Y911	P836-V844 HydrophobicContact CB-CG2 4.03Å; P836-V844 HydrophobicContact CG-CG2 4.3Å; P836-A907 HydrophobicContact CB-CB 4.4Å; P836-A907 HydrophobicContact CG-CB 4.31Å; P836-L908 HydrophobicContact CG-CD2 4.07Å; P836-Y911 HydrophobicContact CG-CG 4.19Å
837	I	62.7	Low	68.9	Low	89 Å²	89	55.4 Å²	55.4	46%	0.456	30%	0.304	S	S	.	.	S	Bend	trans	-74.6	-35.3	179.4	-58	169	0	0	0	110.8	F835	F835-I837 PolarHBondContact O-N 3.27Å
838	N	64.1	Low	68.2	Low	51 Å²	51	52.7 Å²	52.7	27%	0.273	29%	0.292	S	S	.	.	S	Bend	trans	-131.8	163.3	-170.5	56	4.1	0	0	0	111.6	Q840 N843 A907	N838-Q840 PolarHBondContact ND2-OE1 3.32Å; N838-Q840 PolarHBondContact O-N 3.08Å; N838-Q840 VanDerWaalsContact O-N 3.13Å; N838-N843 VanDerWaalsContact CG-ND2 3.3Å; N838-N843 PolarHBondContact ND2-ND2 3.33Å; N838-N843 VanDerWaalsContact ND2-ND2 3.18Å; N838-N843 VanDerWaalsContact OD1-CB 3.3Å; N838-N843 WeakPolarHBondContact OD1-CB 3.38Å; N838-N843 VanDerWaalsContact OD1-CG 3.31Å; N838-N843 PolarHBondContact OD1-ND2 3.19Å; N838-A907 WeakPolarHBondContact O-CB 3.41Å
839	S	61.7	Low	67.8	Low	82 Å²	82	54.1 Å²	54.1	57%	0.573	30%	0.304	S	S	*	.	S	Bend	trans	-76.5	10	-177.5	57.9	0	0	0	0	114.8
840	Q	65.8	Low	67.4	Low	112 Å²	112	55.9 Å²	55.9	52%	0.523	31%	0.313	S	S	.	.			trans	-74.1	129.3	179.4	-73.5	174.8	-31.1	0	0	110.5	N838 S842 N843 V844	N838-Q840 PolarHBondContact ND2-OE1 3.32Å; N838-Q840 PolarHBondContact O-N 3.08Å; N838-Q840 VanDerWaalsContact O-N 3.13Å; Q840-S842 PolarHBondContact O-N 3.43Å; Q840-N843 PolarHBondContact O-N 2.91Å; Q840-N843 VanDerWaalsContact O-N 3.09Å; Q840-V844 PolarHBondContact O-N 3.04Å
841	A	59.8	Low	67	Low	69 Å²	69	54.7 Å²	54.7	57%	0.57	31%	0.306	S	S	*	.	H	α-helix	trans	-56.9	-34.3	-178	0	0	0	0	0	113.1	N843 V844 E845	A841-N843 VanDerWaalsContact C-N 3.33Å; A841-N843 PolarHBondContact O-N 3.13Å; A841-V844 PolarHBondContact O-N 2.85Å; A841-E845 WeakPolarHBondContact O-CG 3.42Å; A841-E845 PolarHBondContact O-N 2.97Å
842	S	65.1	Low	66.6	Low	70 Å²	70	50.2 Å²	50.2	49%	0.49	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-39.5	177.4	55.5	0	0	0	0	113.1	Q840 E845 F846	Q840-S842 PolarHBondContact O-N 3.43Å; S842-E845 PolarHBondContact O-N 3.03Å; S842-F846 WeakPolarHBondContact O-CB 3.1Å; S842-F846 PolarHBondContact O-N 3.38Å
843	N	65.2	Low	66.6	Low	57 Å²	57	55.4 Å²	55.4	31%	0.305	32%	0.316	S	S	.	.	H	α-helix	trans	-75.6	-35.5	-178.4	-74.8	8.6	0	0	0	110.9	N838 Q840 A841 F846 C847	N838-N843 VanDerWaalsContact CG-ND2 3.3Å; N838-N843 PolarHBondContact ND2-ND2 3.33Å; N838-N843 VanDerWaalsContact ND2-ND2 3.18Å; N838-N843 VanDerWaalsContact OD1-CB 3.3Å; N838-N843 WeakPolarHBondContact OD1-CB 3.38Å; N838-N843 VanDerWaalsContact OD1-CG 3.31Å; N838-N843 PolarHBondContact OD1-ND2 3.19Å; Q840-N843 PolarHBondContact O-N 2.91Å; Q840-N843 VanDerWaalsContact O-N 3.09Å; A841-N843 VanDerWaalsContact C-N 3.33Å; A841-N843 PolarHBondContact O-N 3.13Å; N843-F846 PolarHBondContact O-N 3.44Å; N843-C847 WeakPolarHBondContact O-CB 3.48Å; N843-C847 PolarHBondContact O-N 2.85Å; N843-C847 PolarHBondContact O-SG 3.22Å
844	V	62.5	Low	66.5	Low	11 Å²	11	54.7 Å²	54.7	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-43.8	172.6	178.6	0	0	0	0	111.1	P836 Q840 A841 A848 A910 Y911	P836-V844 HydrophobicContact CB-CG2 4.03Å; P836-V844 HydrophobicContact CG-CG2 4.3Å; Q840-V844 PolarHBondContact O-N 3.04Å; A841-V844 PolarHBondContact O-N 2.85Å; V844-A848 WeakPolarHBondContact O-CB 3.35Å; V844-A848 PolarHBondContact O-N 2.98Å; V844-A910 HydrophobicContact CG1-CB 4.5Å; V844-Y911 HydrophobicContact CG1-CD2 4.46Å
845	E	66.7	Low	66.4	Low	104 Å²	104	56.9 Å²	56.9	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-66.1	-44.6	177.2	-74.9	179.8	174.9	0	0	112	A841 S842 C847 A848 T849	A841-E845 WeakPolarHBondContact O-CG 3.42Å; A841-E845 PolarHBondContact O-N 2.97Å; S842-E845 PolarHBondContact O-N 3.03Å; E845-C847 PolarHBondContact O-N 3.31Å; E845-A848 PolarHBondContact O-N 3.15Å; E845-A848 VanDerWaalsContact O-N 3.15Å; E845-T849 WeakPolarHBondContact O-CG2 3.35Å; E845-T849 PolarHBondContact O-N 3.49Å; E845-T849 PolarHBondContact O-OG1 3.41Å
846	F	70.6	Confident	66.3	Low	130 Å²	130	61.1 Å²	61.1	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-58.2	-50.6	176.2	179.1	-99.7	0	0	0	111.7	S842 N843 A848 T849 L850	S842-F846 WeakPolarHBondContact O-CB 3.1Å; S842-F846 PolarHBondContact O-N 3.38Å; N843-F846 PolarHBondContact O-N 3.44Å; F846-A848 VanDerWaalsContact C-N 3.27Å; F846-A848 PolarHBondContact O-N 2.85Å; F846-T849 PolarHBondContact O-N 3.44Å; F846-T849 PolarHBondContact O-OG1 2.94Å; F846-L850 WeakPolarHBondContact O-CB 3.42Å; F846-L850 PolarHBondContact O-N 3.05Å
847	C	65	Low	66.3	Low	8 Å²	8	62.8 Å²	62.8	5%	0.054	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-36.9	176.6	-65.2	0	0	0	0	111.7	N843 E845 L850 F851 Y911	N843-C847 WeakPolarHBondContact O-CB 3.48Å; N843-C847 PolarHBondContact O-N 2.85Å; N843-C847 PolarHBondContact O-SG 3.22Å; E845-C847 PolarHBondContact O-N 3.31Å; C847-L850 PolarHBondContact O-N 3.13Å; C847-F851 WeakPolarHBondContact O-CB 3.12Å; C847-F851 PolarHBondContact O-N 3.39Å; C847-Y911 HydrophobicContact CB-CD2 3.96Å; C847-Y911 HydrophobicContact CB-CE2 3.55Å
848	A	64.6	Low	66.5	Low	13 Å²	13	58.7 Å²	58.7	11%	0.107	33%	0.331	C	S	.	.	H	α-helix	trans	-69.7	-35.5	179.9	0	0	0	0	0	112.1	V844 E845 F846 S852 Y911 R914	V844-A848 WeakPolarHBondContact O-CB 3.35Å; V844-A848 PolarHBondContact O-N 2.98Å; E845-A848 PolarHBondContact O-N 3.15Å; E845-A848 VanDerWaalsContact O-N 3.15Å; F846-A848 VanDerWaalsContact C-N 3.27Å; F846-A848 PolarHBondContact O-N 2.85Å; A848-S852 PolarHBondContact O-N 2.8Å; A848-S852 PolarHBondContact O-OG 2.94Å; A848-Y911 HydrophobicContact CB-CD2 4.37Å; A848-Y911 HydrophobicContact CB-CE2 4.21Å; A848-R914 HydrophobicContact CB-CB 4.41Å
849	T	71.4	Confident	66.7	Low	74 Å²	74	58.4 Å²	58.4	45%	0.454	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-41.9	171.1	59.1	0	0	0	0	111.7	E845 F846 F851 S852 Q853	E845-T849 WeakPolarHBondContact O-CG2 3.35Å; E845-T849 PolarHBondContact O-N 3.49Å; E845-T849 PolarHBondContact O-OG1 3.41Å; F846-T849 PolarHBondContact O-N 3.44Å; F846-T849 PolarHBondContact O-OG1 2.94Å; T849-F851 VanDerWaalsContact C-N 3.35Å; T849-F851 PolarHBondContact O-N 3.37Å; T849-S852 WeakPolarHBondContact O-CB 3.44Å; T849-S852 PolarHBondContact O-N 3.21Å; T849-S852 VanDerWaalsContact O-N 3.17Å; T849-Q853 WeakPolarHBondContact O-CG 3.46Å; T849-Q853 PolarHBondContact O-N 2.87Å
850	L	70	Confident	67.1	Low	37 Å²	37	62.2 Å²	62.2	19%	0.194	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-44.4	175.2	-173.4	69.1	0	0	0	111	F846 C847 S852 Q853 L854	F846-L850 WeakPolarHBondContact O-CB 3.42Å; F846-L850 PolarHBondContact O-N 3.05Å; C847-L850 PolarHBondContact O-N 3.13Å; L850-S852 PolarHBondContact O-N 3.37Å; L850-Q853 PolarHBondContact O-N 3.46Å; L850-L854 HydrophobicContact CG-CD1 4.48Å; L850-L854 WeakPolarHBondContact O-CG 3.4Å; L850-L854 PolarHBondContact O-N 3.42Å
851	F	68.5	Low	67.3	Low	10 Å²	10	57 Å²	57	4%	0.044	30%	0.303	C	S	.	.	H	α-helix	trans	-56.8	-37	176	-174.4	-93	0	0	0	113.4	C847 T849 Q853 R859 L862 Y911 I915	C847-F851 WeakPolarHBondContact O-CB 3.12Å; C847-F851 PolarHBondContact O-N 3.39Å; T849-F851 VanDerWaalsContact C-N 3.35Å; T849-F851 PolarHBondContact O-N 3.37Å; F851-Q853 VanDerWaalsContact C-N 3.33Å; F851-R859 HydrophobicContact CD1-CG 4.42Å; F851-R859 HydrophobicContact CD2-CG 4.35Å; F851-R859 VanDerWaalsContact CE1-CD 3.47Å; F851-R859 HydrophobicContact CE1-CG 3.67Å; F851-R859 HydrophobicContact CE2-CG 3.6Å; F851-R859 HydrophobicContact CZ-CG 3.21Å; F851-R859 PolarHBondContact O-NE 3.49Å; F851-L862 HydrophobicContact CD2-CD1 3.62Å; F851-L862 HydrophobicContact CE2-CB 4.01Å; F851-L862 HydrophobicContact CE2-CD1 3.65Å; F851-L862 HydrophobicContact CE2-CG 4.5Å; F851-Y911 WeakPolarHBondContact CB-OH 3.31Å; F851-Y911 WeakPolarHBondContact CD2-OH 3.29Å; F851-I915 HydrophobicContact CD1-CG1 4.32Å; F851-I915 HydrophobicContact CD1-CG2 3.76Å; F851-I915 HydrophobicContact CE1-CG1 4.5Å; F851-I915 HydrophobicContact CE1-CG2 3.31Å; F851-I915 HydrophobicContact CZ-CG2 3.93Å
852	S	68.9	Low	68	Low	67 Å²	67	53.8 Å²	53.8	47%	0.469	28%	0.277	S	S	.	.	H	α-helix	trans	-74	-25.3	178.6	-54.8	0	0	0	0	112.4	A848 T849 L850	A848-S852 PolarHBondContact O-N 2.8Å; A848-S852 PolarHBondContact O-OG 2.94Å; T849-S852 WeakPolarHBondContact O-CB 3.44Å; T849-S852 PolarHBondContact O-N 3.21Å; T849-S852 VanDerWaalsContact O-N 3.17Å; L850-S852 PolarHBondContact O-N 3.37Å
853	Q	71.6	Confident	68.2	Low	138 Å²	138	51.3 Å²	51.3	65%	0.645	26%	0.259	S	S	*	.	H	α-helix	trans	-88.3	-19.6	177.5	-68.1	177.9	-6.7	0	0	113.5	T849 L850 F851	T849-Q853 WeakPolarHBondContact O-CG 3.46Å; T849-Q853 PolarHBondContact O-N 2.87Å; L850-Q853 PolarHBondContact O-N 3.46Å; F851-Q853 VanDerWaalsContact C-N 3.33Å
854	L	68.4	Low	68.4	Low	13 Å²	13	50.7 Å²	50.7	7%	0.068	25%	0.252	C	S	.	.	S	Bend	trans	-67.9	142.5	-179.6	-76.3	166	0	0	0	111.5	L834 L850 V858 R859 L862	L834-L854 HydrophobicContact CD2-CD1 3.71Å; L850-L854 HydrophobicContact CG-CD1 4.48Å; L850-L854 WeakPolarHBondContact O-CG 3.4Å; L850-L854 PolarHBondContact O-N 3.42Å; L854-V858 HydrophobicContact CD2-CG1 4.38Å; L854-R859 PolarHBondContact O-NH2 2.97Å; L854-L862 HydrophobicContact CD1-CD1 3.81Å
855	P	67.3	Low	68.9	Low	53 Å²	53	50.2 Å²	50.2	34%	0.344	25%	0.249	S	C	.	.			trans	-60.8	151	174.6	-24.7	35.4	0	0	0	113.4	I803 L857 V858 R859	I803-P855 HydrophobicContact CD1-CB 3.72Å; I803-P855 HydrophobicContact CD1-CG 3.71Å; I803-P855 HydrophobicContact CG1-CB 4.08Å; I803-P855 HydrophobicContact CG1-CG 3.77Å; P855-L857 PolarHBondContact O-N 2.82Å; P855-L857 VanDerWaalsContact O-N 3.16Å; P855-V858 PolarHBondContact O-N 3.11Å; P855-R859 PolarHBondContact O-N 2.97Å
856	D	65.7	Low	69.1	Low	95 Å²	95	45.3 Å²	45.3	51%	0.508	23%	0.226	S	C	.	.	H	α-helix	trans	-55.5	-37	-176.7	-67.8	-0.2	0	0	0	113.4	V858 R859 R860	D856-V858 VanDerWaalsContact C-N 3.31Å; D856-V858 PolarHBondContact O-N 2.94Å; D856-R859 PolarHBondContact O-N 3.49Å; D856-R859 VanDerWaalsContact O-N 3.15Å; D856-R859 IonicContact OD1-CZ 2.72Å; D856-R859 IonicContact OD1-NH1 3.03Å; D856-R859 PolarHBondContact OD1-NH1 3.42Å; D856-R859 IonicContact OD1-NH2 3.12Å; D856-R859 PolarHBondContact OD1-NH2 3.5Å; D856-R860 WeakPolarHBondContact O-CG 3.41Å; D856-R860 PolarHBondContact O-N 3.42Å; D856-R860 VanDerWaalsContact O-N 3.12Å
857	L	66.6	Low	69.2	Low	36 Å²	36	41.5 Å²	41.5	19%	0.188	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-37	178.3	-73.9	161.3	0	0	0	112.7	N730 T731 S734 I803 P855 P861	N730-L857 HydrophobicContact CB-CD1 4.33Å; T731-L857 HydrophobicContact CG2-CD2 4Å; S734-L857 PolarHBondContact OG-O 3.3Å; I803-L857 HydrophobicContact CG2-CB 4.25Å; P855-L857 PolarHBondContact O-N 2.82Å; P855-L857 VanDerWaalsContact O-N 3.16Å; L857-P861 WeakPolarHBondContact O-CD 3.41Å
858	V	67.3	Low	69.5	Low	2 Å²	2	41.1 Å²	41.1	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-80.6	-32	175.8	-175.1	0	0	0	0	110.1	I803 L854 P855 D856 R860 P861 L862	I803-V858 HydrophobicContact CB-CG2 4.4Å; I803-V858 HydrophobicContact CG1-CG2 4.2Å; I803-V858 HydrophobicContact CG2-CG2 3.93Å; L854-V858 HydrophobicContact CD2-CG1 4.38Å; P855-V858 PolarHBondContact O-N 3.11Å; D856-V858 VanDerWaalsContact C-N 3.31Å; D856-V858 PolarHBondContact O-N 2.94Å; V858-R860 VanDerWaalsContact C-N 3.33Å; V858-R860 PolarHBondContact O-N 3.35Å; V858-P861 WeakPolarHBondContact O-CD 3.26Å; V858-P861 WeakPolarHBondContact O-CG 3.28Å; V858-L862 WeakPolarHBondContact O-CG 3.11Å
859	R	68.4	Low	69.9	Low	45 Å²	45	40.5 Å²	40.5	17%	0.17	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-32.4	-179.3	-155.9	-176.7	-57.2	115.6	11.7	113.5	F851 L854 P855 D856 L862 P863	F851-R859 HydrophobicContact CD1-CG 4.42Å; F851-R859 HydrophobicContact CD2-CG 4.35Å; F851-R859 VanDerWaalsContact CE1-CD 3.47Å; F851-R859 HydrophobicContact CE1-CG 3.67Å; F851-R859 HydrophobicContact CE2-CG 3.6Å; F851-R859 HydrophobicContact CZ-CG 3.21Å; F851-R859 PolarHBondContact O-NE 3.49Å; L854-R859 PolarHBondContact O-NH2 2.97Å; P855-R859 PolarHBondContact O-N 2.97Å; D856-R859 PolarHBondContact O-N 3.49Å; D856-R859 VanDerWaalsContact O-N 3.15Å; D856-R859 IonicContact OD1-CZ 2.72Å; D856-R859 IonicContact OD1-NH1 3.03Å; D856-R859 PolarHBondContact OD1-NH1 3.42Å; D856-R859 IonicContact OD1-NH2 3.12Å; D856-R859 PolarHBondContact OD1-NH2 3.5Å; R859-L862 PolarHBondContact O-N 3.45Å; R859-P863 WeakPolarHBondContact O-CD 3.44Å
860	R	70.3	Confident	69.8	Low	163 Å²	163	37 Å²	37	62%	0.615	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-47.9	-179.5	-74.3	172.6	-174.8	-168.8	1.6	114.6	D856 V858 P863	D856-R860 WeakPolarHBondContact O-CG 3.41Å; D856-R860 PolarHBondContact O-N 3.42Å; D856-R860 VanDerWaalsContact O-N 3.12Å; V858-R860 VanDerWaalsContact C-N 3.33Å; V858-R860 PolarHBondContact O-N 3.35Å; R860-P863 WeakPolarHBondContact O-CD 3.34Å
861	P	70.5	Confident	70	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.3	179.4	31.4	-39.8	0	0	0	114.4	I737 L807 L810 L857 V858 W864 A865	I737-P861 HydrophobicContact CB-CB 4.31Å; I737-P861 HydrophobicContact CD1-CG 4.44Å; I737-P861 HydrophobicContact CG2-CB 4.34Å; L807-P861 HydrophobicContact CD2-CG 4.26Å; L810-P861 HydrophobicContact CD2-CB 3.47Å; L810-P861 VanDerWaalsContact CD2-CB 3.47Å; L810-P861 HydrophobicContact CD2-CG 3.34Å; L857-P861 WeakPolarHBondContact O-CD 3.41Å; V858-P861 WeakPolarHBondContact O-CD 3.26Å; V858-P861 WeakPolarHBondContact O-CG 3.28Å; P861-W864 PolarHBondContact O-N 3.26Å; P861-W864 VanDerWaalsContact O-N 3.11Å; P861-A865 PolarHBondContact O-N 3.25Å
862	L	72.9	Confident	70.3	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-57.7	-43.2	-179.7	-75.2	175.4	0	0	0	115.1	L834 F835 F851 L854 V858 R859 W864 A865 L866	L834-L862 HydrophobicContact CB-CD2 4.41Å; L834-L862 HydrophobicContact CD1-CD2 3.96Å; L834-L862 HydrophobicContact CD2-CD2 4.42Å; L834-L862 HydrophobicContact CG-CD2 4.5Å; F835-L862 HydrophobicContact CE2-CD2 4.43Å; F835-L862 HydrophobicContact CZ-CD2 3.98Å; F851-L862 HydrophobicContact CD2-CD1 3.62Å; F851-L862 HydrophobicContact CE2-CB 4.01Å; F851-L862 HydrophobicContact CE2-CD1 3.65Å; F851-L862 HydrophobicContact CE2-CG 4.5Å; L854-L862 HydrophobicContact CD1-CD1 3.81Å; V858-L862 WeakPolarHBondContact O-CG 3.11Å; R859-L862 PolarHBondContact O-N 3.45Å; L862-W864 PolarHBondContact O-N 3Å; L862-A865 PolarHBondContact O-N 3.32Å; L862-A865 VanDerWaalsContact O-N 3.16Å; L862-L866 WeakPolarHBondContact O-CB 3.28Å; L862-L866 PolarHBondContact O-N 3.3Å
863	P	69.2	Low	70.5	Confident	17 Å²	17	36.3 Å²	36.3	11%	0.11	16%	0.164	C	C	.	.	H	α-helix	trans	-49.2	-44.3	170.9	-33.5	37.2	0	0	0	113.9	R859 R860 L866 Y867 L919 I923	R859-P863 WeakPolarHBondContact O-CD 3.44Å; R860-P863 WeakPolarHBondContact O-CD 3.34Å; P863-L866 WeakPolarHBondContact O-CB 3.31Å; P863-L866 PolarHBondContact O-N 3.18Å; P863-Y867 PolarHBondContact O-N 3.38Å; P863-Y867 VanDerWaalsContact O-N 3.15Å; P863-L919 HydrophobicContact CB-CD2 3.64Å; P863-L919 HydrophobicContact CG-CD2 3.82Å; P863-I923 HydrophobicContact CB-CD1 3.43Å; P863-I923 VanDerWaalsContact CB-CD1 3.43Å
864	W	70.6	Confident	70.5	Confident	45 Å²	45	30.8 Å²	30.8	17%	0.17	14%	0.14	C	C	.	.	H	α-helix	trans	-73.8	-36.9	-179.8	-62.4	107.8	0	0	0	111.6	V738 F742 F814 P861 L862 L866 Y867 A868 I923	V738-W864 HydrophobicContact CB-CG 4.45Å; V738-W864 HydrophobicContact CG1-CB 4.07Å; V738-W864 HydrophobicContact CG1-CD2 3.93Å; V738-W864 HydrophobicContact CG1-CE3 4.41Å; V738-W864 HydrophobicContact CG1-CG 3.8Å; V738-W864 HydrophobicContact CG2-CB 3.97Å; V738-W864 VanDerWaalsContact CG2-CD1 3.42Å; V738-W864 HydrophobicContact CG2-CG 3.71Å; F742-W864 HydrophobicContact CB-CD2 4.45Å; F742-W864 HydrophobicContact CB-CE3 3.55Å; F742-W864 HydrophobicContact CB-CH2 4.25Å; F742-W864 HydrophobicContact CB-CZ3 3.47Å; F742-W864 VanDerWaalsContact CB-CZ3 3.47Å; F742-W864 AromaticContact CG-CE3 3.99Å; F742-W864 HydrophobicContact CG-CE3 3.99Å; F742-W864 HydrophobicContact CG-CZ3 4.27Å; F742-W864 WeakPolarHBondContact O-CH2 3.37Å; F814-W864 HydrophobicContact CE1-CB 4.44Å; F814-W864 HydrophobicContact CZ-CB 4.02Å; P861-W864 PolarHBondContact O-N 3.26Å; P861-W864 VanDerWaalsContact O-N 3.11Å; L862-W864 PolarHBondContact O-N 3Å; W864-L866 VanDerWaalsContact C-N 3.29Å; W864-L866 PolarHBondContact O-N 3.07Å; W864-Y867 PolarHBondContact O-N 3.44Å; W864-A868 WeakPolarHBondContact O-CB 3.2Å; W864-A868 PolarHBondContact O-N 3.2Å; W864-I923 HydrophobicContact CD2-CD1 4.04Å; W864-I923 HydrophobicContact CE3-CD1 4.03Å; W864-I923 HydrophobicContact CE3-CG1 4.25Å; W864-I923 HydrophobicContact CZ3-CD1 4.27Å; W864-I923 HydrophobicContact CZ3-CG1 4.15Å
865	A	71.8	Confident	70.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-37.2	175.2	0	0	0	0	0	111.6	L810 F813 F814 I829 F835 P861 L862 A868 L869	L810-A865 HydrophobicContact CD1-CB 3.66Å; F813-A865 HydrophobicContact CD1-CB 4.47Å; F813-A865 HydrophobicContact CE1-CB 4.23Å; F814-A865 HydrophobicContact CE2-CB 4.21Å; F814-A865 HydrophobicContact CZ-CB 3.86Å; I829-A865 HydrophobicContact CD1-CB 4.47Å; F835-A865 HydrophobicContact CE2-CB 4.1Å; F835-A865 HydrophobicContact CZ-CB 4.18Å; P861-A865 PolarHBondContact O-N 3.25Å; L862-A865 PolarHBondContact O-N 3.32Å; L862-A865 VanDerWaalsContact O-N 3.16Å; A865-A868 PolarHBondContact O-N 3.36Å; A865-L869 WeakPolarHBondContact O-CB 3.31Å; A865-L869 PolarHBondContact O-N 2.98Å
866	L	72.1	Confident	71	Confident	2 Å²	2	32 Å²	32	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-45.4	172.9	178.3	72.9	0	0	0	111.6	F835 L862 P863 W864 L869 M870 L908 V912 L919 L927	F835-L866 HydrophobicContact CD1-CD1 3.85Å; F835-L866 HydrophobicContact CE1-CB 3.81Å; F835-L866 HydrophobicContact CE1-CD1 3.8Å; F835-L866 HydrophobicContact CE1-CG 4.37Å; F835-L866 HydrophobicContact CZ-CB 3.87Å; F835-L866 HydrophobicContact CZ-CD1 4.49Å; L862-L866 WeakPolarHBondContact O-CB 3.28Å; L862-L866 PolarHBondContact O-N 3.3Å; P863-L866 WeakPolarHBondContact O-CB 3.31Å; P863-L866 PolarHBondContact O-N 3.18Å; W864-L866 VanDerWaalsContact C-N 3.29Å; W864-L866 PolarHBondContact O-N 3.07Å; L866-L869 PolarHBondContact O-N 3.43Å; L866-M870 PolarHBondContact O-N 3.44Å; L866-L908 HydrophobicContact CD1-CB 4.06Å; L866-L908 HydrophobicContact CD1-CD1 4.42Å; L866-L908 HydrophobicContact CD1-CD2 3.68Å; L866-L908 HydrophobicContact CD1-CG 4.25Å; L866-V912 HydrophobicContact CD2-CG2 3.17Å; L866-V912 HydrophobicContact CG-CG2 4.48Å; L866-L919 HydrophobicContact CD2-CD2 4.5Å; L866-L927 HydrophobicContact CD2-CD1 4Å; L866-L927 HydrophobicContact CD2-CD2 4.38Å; L866-L927 HydrophobicContact CG-CD2 4.36Å
867	Y	71.3	Confident	71	Confident	49 Å²	49	28.1 Å²	28.1	19%	0.192	13%	0.125	C	C	.	.	H	α-helix	trans	-64.3	-43.2	177.4	-176.3	-110.4	0	0	0	111.7	F742 P863 W864 M870 R871 M930	F742-Y867 AromaticContact CD1-CD1 3.32Å; F742-Y867 HydrophobicContact CD1-CD1 3.32Å; F742-Y867 AromaticContact CD1-CE1 3.33Å; F742-Y867 HydrophobicContact CD1-CE1 3.33Å; F742-Y867 AromaticContact CE1-CD1 3.19Å; F742-Y867 HydrophobicContact CE1-CD1 3.19Å; F742-Y867 AromaticContact CE1-CE1 3.29Å; F742-Y867 HydrophobicContact CE1-CE1 3.29Å; F742-Y867 HydrophobicContact CE1-CG 4.49Å; F742-Y867 HydrophobicContact CG-CD1 4.37Å; F742-Y867 HydrophobicContact CZ-CD1 4.16Å; P863-Y867 PolarHBondContact O-N 3.38Å; P863-Y867 VanDerWaalsContact O-N 3.15Å; W864-Y867 PolarHBondContact O-N 3.44Å; Y867-M870 PolarHBondContact O-N 3.02Å; Y867-R871 PolarHBondContact O-N 2.97Å; Y867-M930 HydrophobicContact CD2-CE 4.24Å; Y867-M930 HydrophobicContact CD2-SD 4.42Å; Y867-M930 HydrophobicContact CE1-CE 4.15Å; Y867-M930 HydrophobicContact CE2-CE 3.37Å; Y867-M930 HydrophobicContact CE2-SD 3.95Å; Y867-M930 VanDerWaalsContact OH-CE 3.31Å; Y867-M930 WeakPolarHBondContact OH-CE 3.41Å
868	A	71.1	Confident	71	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.4	-42.8	174.2	0	0	0	0	0	112.1	F742 F813 F814 V817 W864 A865 M870 R871 C872	F742-A868 HydrophobicContact CE2-CB 4.31Å; F742-A868 HydrophobicContact CZ-CB 3.93Å; F813-A868 HydrophobicContact CE1-CB 3.87Å; F813-A868 HydrophobicContact CZ-CB 4.22Å; F814-A868 HydrophobicContact CD1-CB 4.28Å; F814-A868 HydrophobicContact CE1-CB 3.87Å; V817-A868 HydrophobicContact CG1-CB 4.26Å; V817-A868 HydrophobicContact CG2-CB 4.33Å; W864-A868 WeakPolarHBondContact O-CB 3.2Å; W864-A868 PolarHBondContact O-N 3.2Å; A865-A868 PolarHBondContact O-N 3.36Å; A868-M870 VanDerWaalsContact C-N 3.33Å; A868-M870 PolarHBondContact O-N 3.31Å; A868-R871 CarbonylContact O-C 3.6Å; A868-R871 WeakPolarHBondContact O-CB 3.31Å; A868-R871 PolarHBondContact O-N 3.12Å; A868-R871 VanDerWaalsContact O-N 3.14Å; A868-C872 PolarHBondContact O-N 3.27Å; A868-C872 PolarHBondContact O-SG 3.01Å
869	L	73.7	Confident	70.8	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-43.1	174.5	176.5	57.7	0	0	0	111.7	F813 I826 I829 F835 A865 L866 R871 C872 L873 L908	F813-L869 HydrophobicContact CZ-CB 4.22Å; I826-L869 HydrophobicContact CG1-CD1 4.02Å; I829-L869 HydrophobicContact CG2-CD1 3.85Å; I829-L869 HydrophobicContact CG2-CD2 4.21Å; F835-L869 HydrophobicContact CB-CD2 4.11Å; F835-L869 HydrophobicContact CD2-CD2 3.97Å; F835-L869 HydrophobicContact CG-CD2 4.17Å; A865-L869 WeakPolarHBondContact O-CB 3.31Å; A865-L869 PolarHBondContact O-N 2.98Å; L866-L869 PolarHBondContact O-N 3.43Å; L869-R871 VanDerWaalsContact C-N 3.29Å; L869-R871 PolarHBondContact O-N 2.88Å; L869-C872 WeakPolarHBondContact O-CB 3.44Å; L869-C872 PolarHBondContact O-N 3.39Å; L869-C872 VanDerWaalsContact O-N 3.16Å; L869-L873 HydrophobicContact CD1-CG 4.44Å; L869-L873 HydrophobicContact CG-CD1 4.41Å; L869-L873 WeakPolarHBondContact O-CG 3.48Å; L869-L873 PolarHBondContact O-N 3.35Å; L869-L908 HydrophobicContact CD2-CD1 3.89Å; L869-L908 HydrophobicContact CD2-CD2 4.03Å; L869-L908 HydrophobicContact CG-CD1 4.11Å
870	M	69.1	Low	70.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-34.9	176	-80.3	-79.7	-65.5	0	0	112.3	L866 Y867 A868 L873 S874 A905 L908 L927 M930 I934	L866-M870 PolarHBondContact O-N 3.44Å; Y867-M870 PolarHBondContact O-N 3.02Å; A868-M870 VanDerWaalsContact C-N 3.33Å; A868-M870 PolarHBondContact O-N 3.31Å; M870-L873 PolarHBondContact O-N 3.39Å; M870-L873 HydrophobicContact SD-CD1 4.36Å; M870-S874 PolarHBondContact O-N 3.19Å; M870-S874 PolarHBondContact O-OG 3.41Å; M870-A905 HydrophobicContact CE-CB 4.16Å; M870-A905 HydrophobicContact SD-CB 3.91Å; M870-L908 HydrophobicContact CG-CD1 3.78Å; M870-L908 HydrophobicContact SD-CB 4.29Å; M870-L908 HydrophobicContact SD-CD1 3.67Å; M870-L927 HydrophobicContact CB-CD2 4.08Å; M870-L927 HydrophobicContact CE-CD2 4.04Å; M870-L927 HydrophobicContact CG-CD2 3.5Å; M870-L927 VanDerWaalsContact CG-CD2 3.5Å; M870-L927 HydrophobicContact SD-CD2 4.37Å; M870-M930 HydrophobicContact CB-SD 3.93Å; M870-M930 HydrophobicContact CE-CB 4.22Å; M870-I934 HydrophobicContact CE-CD1 4.5Å
871	R	74	Confident	69.6	Low	96 Å²	96	29.3 Å²	29.3	36%	0.362	15%	0.154	S	C	.	.	H	α-helix	trans	-66.5	-39.7	170.7	-171.3	-179.3	167.4	126	-9.6	112.5	Y867 A868 L869 L873 S874 A875 M930	Y867-R871 PolarHBondContact O-N 2.97Å; A868-R871 CarbonylContact O-C 3.6Å; A868-R871 WeakPolarHBondContact O-CB 3.31Å; A868-R871 PolarHBondContact O-N 3.12Å; A868-R871 VanDerWaalsContact O-N 3.14Å; L869-R871 VanDerWaalsContact C-N 3.29Å; L869-R871 PolarHBondContact O-N 2.88Å; R871-L873 VanDerWaalsContact C-N 3.3Å; R871-L873 PolarHBondContact O-N 2.96Å; R871-S874 PolarHBondContact O-N 3.01Å; R871-S874 PolarHBondContact O-OG 3.38Å; R871-S874 VanDerWaalsContact O-OG 3.06Å; R871-A875 VanDerWaalsContact O-CB 3.24Å; R871-A875 WeakPolarHBondContact O-CB 3.42Å; R871-A875 PolarHBondContact O-N 3.14Å; R871-M930 HydrophobicContact CB-CE 3.93Å; R871-M930 HydrophobicContact CB-SD 4.27Å; R871-M930 HydrophobicContact CG-CE 4.29Å
872	C	75.3	Confident	68.8	Low	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-42	173.7	-61.4	0	0	0	0	111.5	W822 I826 A868 L869 K876	W822-C872 HydrophobicContact CB-CB 4.43Å; W822-C872 HydrophobicContact CE3-CB 4.1Å; W822-C872 VanDerWaalsContact CE3-SG 3.59Å; I826-C872 HydrophobicContact CD1-CB 4.05Å; I826-C872 HydrophobicContact CG1-CB 3.92Å; A868-C872 PolarHBondContact O-N 3.27Å; A868-C872 PolarHBondContact O-SG 3.01Å; L869-C872 WeakPolarHBondContact O-CB 3.44Å; L869-C872 PolarHBondContact O-N 3.39Å; L869-C872 VanDerWaalsContact O-N 3.16Å; C872-K876 VanDerWaalsContact O-CB 3.32Å; C872-K876 WeakPolarHBondContact O-CB 3.4Å; C872-K876 PolarHBondContact O-N 2.95Å
873	L	72.8	Confident	67.8	Low	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-44.1	178	-70	174.9	0	0	0	111.6	I826 L869 M870 R871 K876 C877 I901 R904 L908	I826-L873 HydrophobicContact CD1-CD2 4Å; L869-L873 HydrophobicContact CD1-CG 4.44Å; L869-L873 HydrophobicContact CG-CD1 4.41Å; L869-L873 WeakPolarHBondContact O-CG 3.48Å; L869-L873 PolarHBondContact O-N 3.35Å; M870-L873 PolarHBondContact O-N 3.39Å; M870-L873 HydrophobicContact SD-CD1 4.36Å; R871-L873 VanDerWaalsContact C-N 3.3Å; R871-L873 PolarHBondContact O-N 2.96Å; L873-K876 PolarHBondContact O-N 3.16Å; L873-C877 WeakPolarHBondContact O-CB 3.26Å; L873-C877 PolarHBondContact O-N 3.42Å; L873-I901 HydrophobicContact CB-CG2 4.01Å; L873-I901 HydrophobicContact CD2-CG1 4.42Å; L873-I901 HydrophobicContact CD2-CG2 4.16Å; L873-R904 HydrophobicContact CD1-CB 4.48Å; L873-R904 HydrophobicContact CD1-CG 4.08Å; L873-L908 HydrophobicContact CD1-CD1 3.73Å
874	S	72.1	Confident	67	Low	22 Å²	22	38 Å²	38	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-41.3	176.9	72.3	0	0	0	0	112	M870 R871 C877 G878	M870-S874 PolarHBondContact O-N 3.19Å; M870-S874 PolarHBondContact O-OG 3.41Å; R871-S874 PolarHBondContact O-N 3.01Å; R871-S874 PolarHBondContact O-OG 3.38Å; R871-S874 VanDerWaalsContact O-OG 3.06Å; S874-C877 WeakPolarHBondContact O-CB 3.39Å; S874-C877 PolarHBondContact O-N 3.43Å; S874-G878 PolarHBondContact O-N 2.88Å
875	A	72.7	Confident	66.1	Low	26 Å²	26	40.1 Å²	40.1	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-40.9	175.9	0	0	0	0	0	112.4	W822 R871 G878 R879	W822-A875 HydrophobicContact CD2-CB 4.02Å; W822-A875 HydrophobicContact CG-CB 4.33Å; W822-A875 HydrophobicContact CZ2-CB 4.28Å; R871-A875 VanDerWaalsContact O-CB 3.24Å; R871-A875 WeakPolarHBondContact O-CB 3.42Å; R871-A875 PolarHBondContact O-N 3.14Å; A875-G878 PolarHBondContact O-N 3.08Å; A875-R879 WeakPolarHBondContact O-CB 3.37Å; A875-R879 WeakPolarHBondContact O-CG 3.39Å; A875-R879 PolarHBondContact O-N 3.44Å
876	K	73.8	Confident	64.9	Low	67 Å²	67	47 Å²	47	29%	0.291	27%	0.268	S	S	.	.	H	α-helix	trans	-64.2	-42	174	-175.4	176.7	175.7	176.9	0	111.4	I826 C872 L873 A880 I901	I826-K876 HydrophobicContact CD1-CD 4.23Å; C872-K876 VanDerWaalsContact O-CB 3.32Å; C872-K876 WeakPolarHBondContact O-CB 3.4Å; C872-K876 PolarHBondContact O-N 2.95Å; L873-K876 PolarHBondContact O-N 3.16Å; K876-A880 WeakPolarHBondContact O-CB 3.27Å; K876-A880 PolarHBondContact O-N 2.98Å; K876-A880 VanDerWaalsContact O-N 3.09Å; K876-I901 HydrophobicContact CB-CD1 4.31Å; K876-I901 HydrophobicContact CD-CD1 3.82Å; K876-I901 HydrophobicContact CD-CG1 4.48Å; K876-I901 HydrophobicContact CG-CD1 3.82Å
877	C	66.5	Low	63.7	Low	12 Å²	12	50.3 Å²	50.3	8%	0.081	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-51.6	174.7	-164.4	0	0	0	0	110.5	L873 S874 R879 A880 T881 I901	L873-C877 WeakPolarHBondContact O-CB 3.26Å; L873-C877 PolarHBondContact O-N 3.42Å; S874-C877 WeakPolarHBondContact O-CB 3.39Å; S874-C877 PolarHBondContact O-N 3.43Å; C877-R879 PolarHBondContact O-N 3.25Å; C877-A880 WeakPolarHBondContact O-CB 3.28Å; C877-A880 PolarHBondContact O-N 3.15Å; C877-A880 VanDerWaalsContact O-N 3.08Å; C877-T881 PolarHBondContact O-N 3.04Å; C877-T881 PolarHBondContact O-OG1 3.43Å; C877-I901 HydrophobicContact CB-CG2 4.32Å
878	G	65.1	Low	62.5	Low	37 Å²	37	52.5 Å²	52.5	38%	0.381	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-39.1	179.4	0	0	0	0	0	114.3	S874 A875 T881 S882	S874-G878 PolarHBondContact O-N 2.88Å; A875-G878 PolarHBondContact O-N 3.08Å; G878-T881 PolarHBondContact O-N 3.36Å; G878-S882 VanDerWaalsContact O-CB 3.31Å; G878-S882 WeakPolarHBondContact O-CB 3.48Å; G878-S882 PolarHBondContact O-N 3.05Å
879	R	63.9	Low	61.4	Low	125 Å²	125	63.5 Å²	63.5	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-40.2	172.8	-75.6	-175.3	-179.1	178.2	4	111.6	E820 W822 A875 C877 T881 S882 V883	E820-R879 IonicContact OE2-NH2 2.87Å; E820-R879 PolarHBondContact OE2-NH2 2.91Å; W822-R879 VanDerWaalsContact NE1-CZ 3.29Å; A875-R879 WeakPolarHBondContact O-CB 3.37Å; A875-R879 WeakPolarHBondContact O-CG 3.39Å; A875-R879 PolarHBondContact O-N 3.44Å; C877-R879 PolarHBondContact O-N 3.25Å; R879-T881 VanDerWaalsContact C-N 3.34Å; R879-T881 PolarHBondContact O-N 3.37Å; R879-S882 PolarHBondContact O-N 3.04Å; R879-V883 VanDerWaalsContact O-CG2 3.31Å; R879-V883 WeakPolarHBondContact O-CG2 3.36Å; R879-V883 PolarHBondContact O-N 3.09Å; R879-V883 VanDerWaalsContact O-N 3.07Å
880	A	56.7	Low	60.1	Low	34 Å²	34	67.7 Å²	67.7	28%	0.281	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-38.1	175.2	0	0	0	0	0	112	K876 C877 T898	K876-A880 WeakPolarHBondContact O-CB 3.27Å; K876-A880 PolarHBondContact O-N 2.98Å; K876-A880 VanDerWaalsContact O-N 3.09Å; C877-A880 WeakPolarHBondContact O-CB 3.28Å; C877-A880 PolarHBondContact O-N 3.15Å; C877-A880 VanDerWaalsContact O-N 3.08Å; A880-T898 HydrophobicContact CB-CG2 4.25Å
881	T	56.8	Low	59.1	Low	76 Å²	76	72.9 Å²	72.9	47%	0.466	41%	0.411	S	S	.	.	H	α-helix	trans	-72.7	-41.2	174.9	-7.4	0	0	0	0	112.6	C877 G878 R879 T884 S885	C877-T881 PolarHBondContact O-N 3.04Å; C877-T881 PolarHBondContact O-OG1 3.43Å; G878-T881 PolarHBondContact O-N 3.36Å; R879-T881 VanDerWaalsContact C-N 3.34Å; R879-T881 PolarHBondContact O-N 3.37Å; T881-T884 WeakPolarHBondContact CA-OG1 3.38Å; T881-T884 PolarHBondContact O-N 3.13Å; T881-T884 VanDerWaalsContact O-N 3.15Å; T881-T884 PolarHBondContact O-OG1 3.5Å; T881-S885 PolarHBondContact O-N 2.91Å; T881-S885 VanDerWaalsContact O-N 3.14Å
882	S	53	Low	58.1	Low	68 Å²	68	72.7 Å²	72.7	48%	0.476	42%	0.424	S	S	.	.	H	α-helix	trans	-62.9	-44.2	179.6	170.9	0	0	0	0	112.2	G878 R879 T884 S885	G878-S882 VanDerWaalsContact O-CB 3.31Å; G878-S882 WeakPolarHBondContact O-CB 3.48Å; G878-S882 PolarHBondContact O-N 3.05Å; R879-S882 PolarHBondContact O-N 3.04Å; S882-T884 PolarHBondContact O-N 2.66Å; S882-S885 PolarHBondContact O-N 3.3Å; S882-S885 PolarHBondContact O-OG 2.72Å
883	V	53	Low	57.3	Low	93 Å²	93	77.6 Å²	77.6	56%	0.564	45%	0.454	S	S	*	.	H	α-helix	trans	-58.7	-35.1	175.7	173.8	0	0	0	0	110.9	R879 N886	R879-V883 VanDerWaalsContact O-CG2 3.31Å; R879-V883 WeakPolarHBondContact O-CG2 3.36Å; R879-V883 PolarHBondContact O-N 3.09Å; R879-V883 VanDerWaalsContact O-N 3.07Å; V883-N886 PolarHBondContact O-N 3.19Å
884	T	51.3	Low	56.5	Low	42 Å²	42	78.6 Å²	78.6	26%	0.258	46%	0.462	S	S	.	.	H	α-helix	trans	-72.4	-28	176	57	0	0	0	0	114.4	T881 S882 N886 G887 M890	T881-T884 WeakPolarHBondContact CA-OG1 3.38Å; T881-T884 PolarHBondContact O-N 3.13Å; T881-T884 VanDerWaalsContact O-N 3.15Å; T881-T884 PolarHBondContact O-OG1 3.5Å; S882-T884 PolarHBondContact O-N 2.66Å; T884-N886 VanDerWaalsContact C-N 3.25Å; T884-N886 PolarHBondContact O-N 3.12Å; T884-G887 PolarHBondContact O-N 3.18Å; T884-M890 HydrophobicContact CG2-CB 4.16Å; T884-M890 HydrophobicContact CG2-CG 4.09Å
885	S	51.1	Low	55.8	Low	90 Å²	90	83.3 Å²	83.3	63%	0.629	48%	0.48	S	S	*	.	H	α-helix	trans	-67.5	-23.2	175.4	55.8	0	0	0	0	113.7	T881 S882 G887	T881-S885 PolarHBondContact O-N 2.91Å; T881-S885 VanDerWaalsContact O-N 3.14Å; S882-S885 PolarHBondContact O-N 3.3Å; S882-S885 PolarHBondContact O-OG 2.72Å; S885-G887 PolarHBondContact O-N 2.59Å; S885-G887 VanDerWaalsContact O-N 3.13Å
886	N	47.2	Very low	55.2	Low	143 Å²	143	88.3 Å²	88.3	77%	0.765	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	25.3	176.6	-79	-7.4	0	0	0	114.3	V883 T884	V883-N886 PolarHBondContact O-N 3.19Å; T884-N886 VanDerWaalsContact C-N 3.25Å; T884-N886 PolarHBondContact O-N 3.12Å
887	G	46.8	Very low	54.7	Low	72 Å²	72	86.9 Å²	86.9	74%	0.742	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	9.4	160.2	0	0	0	0	0	116.3	T884 S885	T884-G887 PolarHBondContact O-N 3.18Å; S885-G887 PolarHBondContact O-N 2.59Å; S885-G887 VanDerWaalsContact O-N 3.13Å
888	T	45.9	Very low	54.6	Low	95 Å²	95	87.2 Å²	87.2	58%	0.583	50%	0.502	S	S	*	.			trans	-97.6	128.8	168	36	0	0	0	0	110.9	M890	T888-M890 PolarHBondContact O-N 3.39Å
889	R	49.3	Very low	54.8	Low	232 Å²	232	88 Å²	88	88%	0.875	50%	0.502	S	S	*	.			trans	-46.1	130.6	178.8	-110.2	172	155.3	-175.7	-6.5	110.6	D891	R889-D891 PolarHBondContact O-N 2.94Å
890	M	44.7	Very low	55.2	Low	87 Å²	87	88.9 Å²	88.9	43%	0.429	51%	0.511	S	S	.	.			trans	-62.4	98.4	175.8	-167.2	176.9	-163.7	0	0	110.2	T884 T888 S894 K895	T884-M890 HydrophobicContact CG2-CB 4.16Å; T884-M890 HydrophobicContact CG2-CG 4.09Å; T888-M890 PolarHBondContact O-N 3.39Å; M890-S894 WeakPolarHBondContact CG-OG 3.5Å; M890-K895 HydrophobicContact CE-CG 3.79Å; M890-K895 HydrophobicContact CG-CG 4.03Å; M890-K895 HydrophobicContact SD-CD 4.4Å; M890-K895 VanDerWaalsContact SD-CE 3.54Å; M890-K895 HydrophobicContact SD-CG 3.92Å
891	D	49.2	Very low	55.9	Low	110 Å²	110	87.8 Å²	87.8	59%	0.588	50%	0.501	S	S	*	.			trans	-62.6	147.7	176.2	-75.2	-26.3	0	0	0	110.7	R889 T893 S894 K895	R889-D891 PolarHBondContact O-N 2.94Å; D891-T893 WeakPolarHBondContact CB-OG1 3.37Å; D891-T893 PolarHBondContact O-N 3.49Å; D891-T893 VanDerWaalsContact O-N 3.1Å; D891-S894 WeakPolarHBondContact O-CB 3.21Å; D891-S894 PolarHBondContact O-N 3.28Å; D891-S894 PolarHBondContact O-OG 3.41Å; D891-K895 PolarHBondContact O-N 3.01Å
892	S	53.9	Low	56.5	Low	92 Å²	92	87.9 Å²	87.9	64%	0.643	49%	0.493	S	S	*	.	H	α-helix	trans	-53.7	-31.5	179	49.9	0	0	0	0	113	S894 K895 M896	S892-S894 PolarHBondContact O-N 3.05Å; S892-K895 PolarHBondContact O-N 2.99Å; S892-M896 WeakPolarHBondContact O-CG 3.32Å; S892-M896 PolarHBondContact O-N 3.11Å
893	T	56.8	Low	57.4	Low	102 Å²	102	86.4 Å²	86.4	63%	0.626	48%	0.484	S	S	*	.	H	α-helix	trans	-60	-40.3	173.3	41.2	0	0	0	0	112.7	D891 M896 A897	D891-T893 WeakPolarHBondContact CB-OG1 3.37Å; D891-T893 PolarHBondContact O-N 3.49Å; D891-T893 VanDerWaalsContact O-N 3.1Å; T893-M896 PolarHBondContact O-N 3.45Å; T893-A897 WeakPolarHBondContact O-CB 3.47Å; T893-A897 PolarHBondContact O-N 3.07Å
894	S	56.7	Low	58.3	Low	25 Å²	25	82.9 Å²	82.9	18%	0.175	46%	0.461	C	S	.	.	H	α-helix	trans	-68	-35.5	176.8	70.3	0	0	0	0	112.7	M890 D891 S892 T898	M890-S894 WeakPolarHBondContact CG-OG 3.5Å; D891-S894 WeakPolarHBondContact O-CB 3.21Å; D891-S894 PolarHBondContact O-N 3.28Å; D891-S894 PolarHBondContact O-OG 3.41Å; S892-S894 PolarHBondContact O-N 3.05Å; S894-T898 WeakPolarHBondContact O-CG2 3.47Å; S894-T898 PolarHBondContact O-N 3.34Å; S894-T898 PolarHBondContact O-OG1 3.48Å
895	K	58.5	Low	59.2	Low	122 Å²	122	80.9 Å²	80.9	53%	0.53	45%	0.449	S	S	.	.	H	α-helix	trans	-68.2	-40.5	174.8	-70.1	-174.7	179.4	-178.1	0	112.3	M890 D891 S892 T898 S899	M890-K895 HydrophobicContact CE-CG 3.79Å; M890-K895 HydrophobicContact CG-CG 4.03Å; M890-K895 HydrophobicContact SD-CD 4.4Å; M890-K895 VanDerWaalsContact SD-CE 3.54Å; M890-K895 HydrophobicContact SD-CG 3.92Å; D891-K895 PolarHBondContact O-N 3.01Å; S892-K895 PolarHBondContact O-N 2.99Å; K895-T898 WeakPolarHBondContact CA-OG1 3.3Å; K895-T898 PolarHBondContact O-OG1 3.46Å; K895-S899 WeakPolarHBondContact O-CB 3.42Å; K895-S899 PolarHBondContact O-N 3.17Å
896	M	58	Low	60.2	Low	131 Å²	131	82.2 Å²	82.2	65%	0.645	44%	0.443	S	S	*	.	H	α-helix	trans	-64.1	-48.2	175.6	-71.9	-63.9	-63	0	0	110.8	S892 T893 T898 S899 E900	S892-M896 WeakPolarHBondContact O-CG 3.32Å; S892-M896 PolarHBondContact O-N 3.11Å; T893-M896 PolarHBondContact O-N 3.45Å; M896-T898 PolarHBondContact O-N 3.04Å; M896-S899 PolarHBondContact O-N 2.94Å; M896-S899 VanDerWaalsContact O-N 3.13Å; M896-S899 PolarHBondContact O-OG 3.14Å; M896-E900 PolarHBondContact O-N 3.08Å
897	A	63.5	Low	61.3	Low	36 Å²	36	75.5 Å²	75.5	30%	0.298	41%	0.408	S	S	.	.	H	α-helix	trans	-59.6	-43.8	178.5	0	0	0	0	0	112.6	T893 S899 E900 I901	T893-A897 WeakPolarHBondContact O-CB 3.47Å; T893-A897 PolarHBondContact O-N 3.07Å; A897-S899 PolarHBondContact O-N 3.49Å; A897-E900 PolarHBondContact O-N 2.88Å; A897-I901 WeakPolarHBondContact O-CD1 3.45Å; A897-I901 WeakPolarHBondContact O-CG1 3.32Å; A897-I901 PolarHBondContact O-N 3.41Å; A897-I901 VanDerWaalsContact O-N 3.08Å
898	T	65.8	Low	62.4	Low	20 Å²	20	72.1 Å²	72.1	12%	0.123	37%	0.372	C	S	.	.	H	α-helix	trans	-66.9	-34.2	176	49.2	0	0	0	0	112.7	A880 S894 K895 M896 R902	A880-T898 HydrophobicContact CB-CG2 4.25Å; S894-T898 WeakPolarHBondContact O-CG2 3.47Å; S894-T898 PolarHBondContact O-N 3.34Å; S894-T898 PolarHBondContact O-OG1 3.48Å; K895-T898 WeakPolarHBondContact CA-OG1 3.3Å; K895-T898 PolarHBondContact O-OG1 3.46Å; M896-T898 PolarHBondContact O-N 3.04Å; T898-R902 PolarHBondContact O-N 2.89Å; T898-R902 VanDerWaalsContact O-N 3.14Å
899	S	67.8	Low	63.6	Low	54 Å²	54	70.3 Å²	70.3	38%	0.378	36%	0.358	S	S	.	.	H	α-helix	trans	-67.3	-39	175.7	78.4	0	0	0	0	112.9	K895 M896 A897 R902 A903	K895-S899 WeakPolarHBondContact O-CB 3.42Å; K895-S899 PolarHBondContact O-N 3.17Å; M896-S899 PolarHBondContact O-N 2.94Å; M896-S899 VanDerWaalsContact O-N 3.13Å; M896-S899 PolarHBondContact O-OG 3.14Å; A897-S899 PolarHBondContact O-N 3.49Å; S899-R902 PolarHBondContact O-N 2.94Å; S899-A903 PolarHBondContact O-N 3.38Å
900	E	72.8	Confident	64.6	Low	143 Å²	143	61.7 Å²	61.7	67%	0.668	34%	0.337	S	S	*	.	H	α-helix	trans	-68.8	-42.9	178.7	-172.7	174.7	-170.4	0	0	111.3	M896 A897 R902 A903 R904	M896-E900 PolarHBondContact O-N 3.08Å; A897-E900 PolarHBondContact O-N 2.88Å; E900-R902 VanDerWaalsContact C-N 3.32Å; E900-R902 PolarHBondContact O-N 3.45Å; E900-A903 PolarHBondContact O-N 2.98Å; E900-R904 PolarHBondContact O-N 3.06Å
901	I	70.8	Confident	65.8	Low	10 Å²	10	57.7 Å²	57.7	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-44.2	174.1	-68.9	164.2	0	0	0	110.9	L873 K876 C877 A897 R904 A905	L873-I901 HydrophobicContact CB-CG2 4.01Å; L873-I901 HydrophobicContact CD2-CG1 4.42Å; L873-I901 HydrophobicContact CD2-CG2 4.16Å; K876-I901 HydrophobicContact CB-CD1 4.31Å; K876-I901 HydrophobicContact CD-CD1 3.82Å; K876-I901 HydrophobicContact CD-CG1 4.48Å; K876-I901 HydrophobicContact CG-CD1 3.82Å; C877-I901 HydrophobicContact CB-CG2 4.32Å; A897-I901 WeakPolarHBondContact O-CD1 3.45Å; A897-I901 WeakPolarHBondContact O-CG1 3.32Å; A897-I901 PolarHBondContact O-N 3.41Å; A897-I901 VanDerWaalsContact O-N 3.08Å; I901-R904 PolarHBondContact O-N 3.46Å; I901-A905 PolarHBondContact O-N 3.36Å
902	R	71.2	Confident	66.8	Low	79 Å²	79	52.7 Å²	52.7	30%	0.298	29%	0.29	S	S	.	.	H	α-helix	trans	-66.9	-37.9	177.9	-169.9	-179.6	-64.1	113	-2.8	112.5	T898 S899 E900 R904 A905 K906 I934	T898-R902 PolarHBondContact O-N 2.89Å; T898-R902 VanDerWaalsContact O-N 3.14Å; S899-R902 PolarHBondContact O-N 2.94Å; E900-R902 VanDerWaalsContact C-N 3.32Å; E900-R902 PolarHBondContact O-N 3.45Å; R902-R904 VanDerWaalsContact C-N 3.31Å; R902-A905 PolarHBondContact O-N 3Å; R902-K906 PolarHBondContact O-N 3.11Å; R902-I934 HydrophobicContact CB-CG2 4.12Å; R902-I934 HydrophobicContact CG-CG2 4.2Å; R902-I934 PolarHBondContact NE-O 3.45Å; R902-I934 PolarHBondContact NH2-O 3.4Å
903	A	70.3	Confident	67.4	Low	36 Å²	36	51.2 Å²	51.2	30%	0.298	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-39.8	175.4	0	0	0	0	0	111.5	S899 E900 K906 A907	S899-A903 PolarHBondContact O-N 3.38Å; E900-A903 PolarHBondContact O-N 2.98Å; A903-K906 PolarHBondContact O-N 2.81Å; A903-A907 PolarHBondContact O-N 2.89Å; A903-A907 VanDerWaalsContact O-N 3.07Å
904	R	73.5	Confident	68	Low	20 Å²	20	54.1 Å²	54.1	8%	0.075	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-42.9	176.2	-171.8	169.7	171.8	168.3	-3.4	112.6	I826 D830 L873 E900 I901 R902 K906 A907 L908	I826-R904 VanDerWaalsContact CG2-NH1 3.32Å; D830-R904 VanDerWaalsContact CG-NH1 3.33Å; D830-R904 IonicContact OD1-CZ 3.56Å; D830-R904 IonicContact OD1-NH1 2.76Å; D830-R904 PolarHBondContact OD1-NH1 3.23Å; D830-R904 VanDerWaalsContact OD1-NH1 3.12Å; D830-R904 IonicContact OD1-NH2 3.47Å; D830-R904 PolarHBondContact OD1-NH2 2.98Å; D830-R904 IonicContact OD2-CZ 3.58Å; D830-R904 IonicContact OD2-NH1 3.4Å; D830-R904 PolarHBondContact OD2-NH1 3.46Å; D830-R904 IonicContact OD2-NH2 2.77Å; D830-R904 PolarHBondContact OD2-NH2 3.18Å; L873-R904 HydrophobicContact CD1-CB 4.48Å; L873-R904 HydrophobicContact CD1-CG 4.08Å; E900-R904 PolarHBondContact O-N 3.06Å; I901-R904 PolarHBondContact O-N 3.46Å; R902-R904 VanDerWaalsContact C-N 3.31Å; R904-K906 VanDerWaalsContact C-N 3.3Å; R904-K906 PolarHBondContact O-N 3.03Å; R904-A907 WeakPolarHBondContact O-CA 3.49Å; R904-A907 WeakPolarHBondContact O-CB 3.44Å; R904-A907 PolarHBondContact O-N 3.21Å; R904-L908 WeakPolarHBondContact O-CG 3.24Å; R904-L908 PolarHBondContact O-N 2.97Å
905	A	68.9	Low	68.4	Low	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-55.6	-44.3	174.1	0	0	0	0	0	112	M870 I901 R902 A907 L908 I909 I934	M870-A905 HydrophobicContact CE-CB 4.16Å; M870-A905 HydrophobicContact SD-CB 3.91Å; I901-A905 PolarHBondContact O-N 3.36Å; R902-A905 PolarHBondContact O-N 3Å; A905-A907 PolarHBondContact O-N 2.95Å; A905-L908 PolarHBondContact O-N 3Å; A905-I909 WeakPolarHBondContact O-CG1 3.34Å; A905-I909 PolarHBondContact O-N 3.21Å; A905-I909 VanDerWaalsContact O-N 3.12Å; A905-I934 HydrophobicContact CB-CD1 4.05Å
906	K	72.8	Confident	68.3	Low	117 Å²	117	52.6 Å²	52.6	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-38	173.9	-71.6	-178.1	178.7	-175.2	0	113.3	R902 A903 R904 L908 I909 A910	R902-K906 PolarHBondContact O-N 3.11Å; A903-K906 PolarHBondContact O-N 2.81Å; R904-K906 VanDerWaalsContact C-N 3.3Å; R904-K906 PolarHBondContact O-N 3.03Å; K906-L908 VanDerWaalsContact C-N 3.33Å; K906-I909 PolarHBondContact O-N 3.4Å; K906-A910 WeakPolarHBondContact O-CB 3.39Å; K906-A910 PolarHBondContact O-N 3.14Å
907	A	71	Confident	68.3	Low	3 Å²	3	51.8 Å²	51.8	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-41	175.9	0	0	0	0	0	111.6	P836 N838 A903 R904 A905 A910 Y911	P836-A907 HydrophobicContact CB-CB 4.4Å; P836-A907 HydrophobicContact CG-CB 4.31Å; N838-A907 WeakPolarHBondContact O-CB 3.41Å; A903-A907 PolarHBondContact O-N 2.89Å; A903-A907 VanDerWaalsContact O-N 3.07Å; R904-A907 WeakPolarHBondContact O-CA 3.49Å; R904-A907 WeakPolarHBondContact O-CB 3.44Å; R904-A907 PolarHBondContact O-N 3.21Å; A905-A907 PolarHBondContact O-N 2.95Å; A907-A910 PolarHBondContact O-N 3.32Å; A907-Y911 VanDerWaalsContact O-CB 3.31Å; A907-Y911 WeakPolarHBondContact O-CB 3.32Å; A907-Y911 PolarHBondContact O-N 3.08Å
908	L	69.3	Low	68	Low	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.9	-37.6	176.9	-66.1	174.7	0	0	0	112.1	F835 P836 L866 L869 M870 L873 R904 A905 K906 Y911 V912	F835-L908 HydrophobicContact CB-CD2 3.95Å; F835-L908 HydrophobicContact CD1-CD2 4.45Å; F835-L908 HydrophobicContact CG-CD2 4.4Å; P836-L908 HydrophobicContact CG-CD2 4.07Å; L866-L908 HydrophobicContact CD1-CB 4.06Å; L866-L908 HydrophobicContact CD1-CD1 4.42Å; L866-L908 HydrophobicContact CD1-CD2 3.68Å; L866-L908 HydrophobicContact CD1-CG 4.25Å; L869-L908 HydrophobicContact CD2-CD1 3.89Å; L869-L908 HydrophobicContact CD2-CD2 4.03Å; L869-L908 HydrophobicContact CG-CD1 4.11Å; M870-L908 HydrophobicContact CG-CD1 3.78Å; M870-L908 HydrophobicContact SD-CB 4.29Å; M870-L908 HydrophobicContact SD-CD1 3.67Å; L873-L908 HydrophobicContact CD1-CD1 3.73Å; R904-L908 WeakPolarHBondContact O-CG 3.24Å; R904-L908 PolarHBondContact O-N 2.97Å; A905-L908 PolarHBondContact O-N 3Å; K906-L908 VanDerWaalsContact C-N 3.33Å; L908-Y911 WeakPolarHBondContact O-CB 3.24Å; L908-Y911 PolarHBondContact O-N 3.31Å; L908-V912 VanDerWaalsContact O-CG2 3.29Å; L908-V912 WeakPolarHBondContact O-CG2 3.19Å; L908-V912 PolarHBondContact O-N 3.07Å
909	I	70.5	Confident	68	Low	57 Å²	57	60.9 Å²	60.9	29%	0.292	31%	0.31	S	S	.	.	H	α-helix	trans	-69.7	-42.2	174.9	-64.1	164.4	0	0	0	111.3	A905 K906 Y911 V912 G913 D931	A905-I909 WeakPolarHBondContact O-CG1 3.34Å; A905-I909 PolarHBondContact O-N 3.21Å; A905-I909 VanDerWaalsContact O-N 3.12Å; K906-I909 PolarHBondContact O-N 3.4Å; I909-Y911 VanDerWaalsContact C-N 3.27Å; I909-Y911 PolarHBondContact O-N 3.27Å; I909-V912 WeakPolarHBondContact O-CB 3.35Å; I909-V912 PolarHBondContact O-N 3.45Å; I909-G913 PolarHBondContact O-N 2.78Å; I909-D931 HydrophobicContact CD1-CB 3.67Å; I909-D931 VanDerWaalsContact CD1-OD2 3.28Å; I909-D931 WeakPolarHBondContact CD1-OD2 3.26Å
910	A	70	Confident	67.7	Low	51 Å²	51	61.2 Å²	61.2	42%	0.421	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-39	174.9	0	0	0	0	0	111.5	V844 K906 A907 G913 R914	V844-A910 HydrophobicContact CG1-CB 4.5Å; K906-A910 WeakPolarHBondContact O-CB 3.39Å; K906-A910 PolarHBondContact O-N 3.14Å; A907-A910 PolarHBondContact O-N 3.32Å; A910-G913 PolarHBondContact O-N 3.41Å; A910-R914 WeakPolarHBondContact O-CG 3.49Å; A910-R914 PolarHBondContact O-N 2.96Å
911	Y	71.3	Confident	67.1	Low	3 Å²	3	59 Å²	59	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-50.4	173.5	174.1	-108	0	0	0	112.1	F835 P836 V844 C847 A848 F851 A907 L908 I909 G913 R914 I915	F835-Y911 HydrophobicContact CD1-CD1 4.29Å; F835-Y911 AromaticContact CD1-CE1 3.75Å; F835-Y911 HydrophobicContact CD1-CE1 3.75Å; F835-Y911 AromaticContact CE1-CE1 3.92Å; F835-Y911 HydrophobicContact CE1-CE1 3.92Å; P836-Y911 HydrophobicContact CG-CG 4.19Å; V844-Y911 HydrophobicContact CG1-CD2 4.46Å; C847-Y911 HydrophobicContact CB-CD2 3.96Å; C847-Y911 HydrophobicContact CB-CE2 3.55Å; A848-Y911 HydrophobicContact CB-CD2 4.37Å; A848-Y911 HydrophobicContact CB-CE2 4.21Å; F851-Y911 WeakPolarHBondContact CB-OH 3.31Å; F851-Y911 WeakPolarHBondContact CD2-OH 3.29Å; A907-Y911 VanDerWaalsContact O-CB 3.31Å; A907-Y911 WeakPolarHBondContact O-CB 3.32Å; A907-Y911 PolarHBondContact O-N 3.08Å; L908-Y911 WeakPolarHBondContact O-CB 3.24Å; L908-Y911 PolarHBondContact O-N 3.31Å; I909-Y911 VanDerWaalsContact C-N 3.27Å; I909-Y911 PolarHBondContact O-N 3.27Å; Y911-G913 VanDerWaalsContact C-N 3.27Å; Y911-G913 PolarHBondContact O-N 3.09Å; Y911-R914 PolarHBondContact O-N 3.08Å; Y911-I915 HydrophobicContact CD1-CD1 3.8Å; Y911-I915 HydrophobicContact CE1-CD1 3.41Å; Y911-I915 VanDerWaalsContact CE1-CD1 3.41Å; Y911-I915 HydrophobicContact CE1-CG1 4.24Å; Y911-I915 HydrophobicContact CE2-CD1 4.37Å; Y911-I915 HydrophobicContact CE2-CG1 4.33Å; Y911-I915 HydrophobicContact CG-CD1 4.44Å; Y911-I915 WeakPolarHBondContact O-CG1 3.23Å; Y911-I915 PolarHBondContact O-N 2.91Å
912	V	68.2	Low	66.7	Low	5 Å²	5	63.9 Å²	63.9	3%	0.03	33%	0.334	C	S	.	.	H	α-helix	trans	-52.8	-43.6	174.5	160	0	0	0	0	112.6	L866 L908 I909 R914 I915 L919 Y924 L927	L866-V912 HydrophobicContact CD2-CG2 3.17Å; L866-V912 HydrophobicContact CG-CG2 4.48Å; L908-V912 VanDerWaalsContact O-CG2 3.29Å; L908-V912 WeakPolarHBondContact O-CG2 3.19Å; L908-V912 PolarHBondContact O-N 3.07Å; I909-V912 WeakPolarHBondContact O-CB 3.35Å; I909-V912 PolarHBondContact O-N 3.45Å; V912-R914 PolarHBondContact O-N 3.4Å; V912-I915 PolarHBondContact O-N 2.82Å; V912-L919 HydrophobicContact CB-CD1 4.06Å; V912-L919 HydrophobicContact CG1-CD1 3.47Å; V912-L919 VanDerWaalsContact CG1-CD1 3.47Å; V912-L919 HydrophobicContact CG2-CD1 3.89Å; V912-Y924 HydrophobicContact CG1-CD1 3.89Å; V912-Y924 HydrophobicContact CG1-CE1 3.13Å; V912-L927 HydrophobicContact CG2-CD1 3.98Å
913	G	67	Low	66.2	Low	62 Å²	62	60.1 Å²	60.1	64%	0.639	32%	0.32	S	S	*	.	H	α-helix	trans	-69.4	-16.5	178.4	0	0	0	0	0	114.9	I909 A910 Y911	I909-G913 PolarHBondContact O-N 2.78Å; A910-G913 PolarHBondContact O-N 3.41Å; Y911-G913 VanDerWaalsContact C-N 3.27Å; Y911-G913 PolarHBondContact O-N 3.09Å
914	R	69.2	Low	65.9	Low	162 Å²	162	62.2 Å²	62.2	61%	0.611	32%	0.321	S	S	*	.	H	α-helix	trans	-97.1	-15	178.5	-69	-67	-173.6	128.6	5	113.4	A848 A910 Y911 V912	A848-R914 HydrophobicContact CB-CB 4.41Å; A910-R914 WeakPolarHBondContact O-CG 3.49Å; A910-R914 PolarHBondContact O-N 2.96Å; Y911-R914 PolarHBondContact O-N 3.08Å; V912-R914 PolarHBondContact O-N 3.4Å
915	I	64.9	Low	65.3	Low	13 Å²	13	63.9 Å²	63.9	7%	0.067	34%	0.339	C	S	.	.			trans	-69.5	126.6	176.7	-66.9	165.7	0	0	0	108.6	F851 Y911 V912 H917	F851-I915 HydrophobicContact CD1-CG1 4.32Å; F851-I915 HydrophobicContact CD1-CG2 3.76Å; F851-I915 HydrophobicContact CE1-CG1 4.5Å; F851-I915 HydrophobicContact CE1-CG2 3.31Å; F851-I915 HydrophobicContact CZ-CG2 3.93Å; Y911-I915 HydrophobicContact CD1-CD1 3.8Å; Y911-I915 HydrophobicContact CE1-CD1 3.41Å; Y911-I915 VanDerWaalsContact CE1-CD1 3.41Å; Y911-I915 HydrophobicContact CE1-CG1 4.24Å; Y911-I915 HydrophobicContact CE2-CD1 4.37Å; Y911-I915 HydrophobicContact CE2-CG1 4.33Å; Y911-I915 HydrophobicContact CG-CD1 4.44Å; Y911-I915 WeakPolarHBondContact O-CG1 3.23Å; Y911-I915 PolarHBondContact O-N 2.91Å; V912-I915 PolarHBondContact O-N 2.82Å; I915-H917 HydrophobicContact CG2-CB 4.01Å; I915-H917 PolarHBondContact O-N 3.36Å
916	P	57.6	Low	65	Low	103 Å²	103	64.3 Å²	64.3	67%	0.669	34%	0.344	S	S	*	.	S	Bend	trans	-66.4	-24.3	179.8	24.1	-32.6	0	0	0	113
917	H	57.1	Low	64.5	Low	114 Å²	114	59 Å²	59	53%	0.528	32%	0.32	S	S	.	.	S	Bend	trans	-80.5	126.6	176.2	-96.1	-75.5	0	0	0	112.2	I915 L919	I915-H917 HydrophobicContact CG2-CB 4.01Å; I915-H917 PolarHBondContact O-N 3.36Å; H917-L919 PolarHBondContact O-N 3.42Å
918	R	58.4	Low	64.2	Low	233 Å²	233	62.7 Å²	62.7	88%	0.879	34%	0.343	S	S	*	.			trans	-68.8	104.3	172.6	-154.3	176.7	-170.2	-172.3	1.8	108.9
919	L	64.3	Low	64	Low	13 Å²	13	69.2 Å²	69.2	7%	0.068	37%	0.372	C	S	.	.			trans	-56.9	153.8	171.9	-61.9	121.3	0	0	0	110.8	P863 L866 V912 H917 S921 I923 Y924	P863-L919 HydrophobicContact CB-CD2 3.64Å; P863-L919 HydrophobicContact CG-CD2 3.82Å; L866-L919 HydrophobicContact CD2-CD2 4.5Å; V912-L919 HydrophobicContact CB-CD1 4.06Å; V912-L919 HydrophobicContact CG1-CD1 3.47Å; V912-L919 VanDerWaalsContact CG1-CD1 3.47Å; V912-L919 HydrophobicContact CG2-CD1 3.89Å; H917-L919 PolarHBondContact O-N 3.42Å; L919-S921 PolarHBondContact O-N 2.99Å; L919-I923 HydrophobicContact CD2-CG2 4.38Å; L919-Y924 HydrophobicContact CB-CD2 3.87Å; L919-Y924 HydrophobicContact CB-CE2 3.47Å; L919-Y924 VanDerWaalsContact CB-CE2 3.47Å; L919-Y924 HydrophobicContact CD1-CE1 4.49Å; L919-Y924 HydrophobicContact CD1-CE2 3.93Å; L919-Y924 HydrophobicContact CG-CE2 4.3Å; L919-Y924 WeakPolarHBondContact O-CD2 3.49Å; L919-Y924 WeakPolarHBondContact O-CE2 3.31Å
920	P	61.9	Low	63.6	Low	61 Å²	61	67.2 Å²	67.2	40%	0.396	36%	0.361	S	S	.	.			trans	-47.3	136.5	169.5	-27.8	32.8	0	0	0	112.2	E922 I923 Y924	P920-E922 PolarHBondContact O-N 2.72Å; P920-I923 HydrophobicContact CB-CD1 4.12Å; P920-I923 HydrophobicContact CB-CG1 4.28Å; P920-I923 HydrophobicContact CG-CD1 3.91Å; P920-I923 PolarHBondContact O-N 3.5Å; P920-Y924 PolarHBondContact O-N 3.13Å
921	S	60.8	Low	63.3	Low	96 Å²	96	66.1 Å²	66.1	67%	0.671	35%	0.348	S	S	*	.	H	α-helix	trans	-58.7	-30.6	-178.1	46.3	0	0	0	0	113.1	L919 I923 Y924 A925	L919-S921 PolarHBondContact O-N 2.99Å; S921-I923 VanDerWaalsContact C-N 3.32Å; S921-I923 PolarHBondContact O-N 3.02Å; S921-Y924 PolarHBondContact O-N 3.02Å; S921-A925 WeakPolarHBondContact O-CB 3.48Å; S921-A925 PolarHBondContact O-N 3.41Å
922	E	61.8	Low	62.7	Low	113 Å²	113	72.7 Å²	72.7	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-40	176	-65.3	175.5	-174	0	0	112.1	P920 A925 G926	P920-E922 PolarHBondContact O-N 2.72Å; E922-A925 PolarHBondContact O-N 2.69Å; E922-G926 PolarHBondContact O-N 2.99Å
923	I	60.9	Low	62.3	Low	1 Å²	1	78.1 Å²	78.1	1%	0.005	41%	0.406	C	S	.	.	H	α-helix	trans	-70.3	-43.3	179.3	-64.9	173.8	0	0	0	109.4	P863 W864 L919 P920 S921 G926 L927	P863-I923 HydrophobicContact CB-CD1 3.43Å; P863-I923 VanDerWaalsContact CB-CD1 3.43Å; W864-I923 HydrophobicContact CD2-CD1 4.04Å; W864-I923 HydrophobicContact CE3-CD1 4.03Å; W864-I923 HydrophobicContact CE3-CG1 4.25Å; W864-I923 HydrophobicContact CZ3-CD1 4.27Å; W864-I923 HydrophobicContact CZ3-CG1 4.15Å; L919-I923 HydrophobicContact CD2-CG2 4.38Å; P920-I923 HydrophobicContact CB-CD1 4.12Å; P920-I923 HydrophobicContact CB-CG1 4.28Å; P920-I923 HydrophobicContact CG-CD1 3.91Å; P920-I923 PolarHBondContact O-N 3.5Å; S921-I923 VanDerWaalsContact C-N 3.32Å; S921-I923 PolarHBondContact O-N 3.02Å; I923-G926 PolarHBondContact O-N 3.01Å; I923-L927 HydrophobicContact CG2-CD1 3.56Å; I923-L927 HydrophobicContact CG2-CG 4.19Å; I923-L927 WeakPolarHBondContact O-CB 3.44Å; I923-L927 VanDerWaalsContact O-CD1 3.28Å; I923-L927 WeakPolarHBondContact O-CD1 3.4Å; I923-L927 WeakPolarHBondContact O-CG 3.35Å; I923-L927 PolarHBondContact O-N 2.9Å
924	Y	64.2	Low	61.8	Low	79 Å²	79	75.4 Å²	75.4	31%	0.31	38%	0.377	S	S	.	.	H	α-helix	trans	-58.5	-47.8	172.4	-84.7	-77.1	0	0	0	112.3	V912 L919 P920 S921 G926 L927 T928	V912-Y924 HydrophobicContact CG1-CD1 3.89Å; V912-Y924 HydrophobicContact CG1-CE1 3.13Å; L919-Y924 HydrophobicContact CB-CD2 3.87Å; L919-Y924 HydrophobicContact CB-CE2 3.47Å; L919-Y924 VanDerWaalsContact CB-CE2 3.47Å; L919-Y924 HydrophobicContact CD1-CE1 4.49Å; L919-Y924 HydrophobicContact CD1-CE2 3.93Å; L919-Y924 HydrophobicContact CG-CE2 4.3Å; L919-Y924 WeakPolarHBondContact O-CD2 3.49Å; L919-Y924 WeakPolarHBondContact O-CE2 3.31Å; P920-Y924 PolarHBondContact O-N 3.13Å; S921-Y924 PolarHBondContact O-N 3.02Å; Y924-G926 PolarHBondContact O-N 3.49Å; Y924-L927 PolarHBondContact O-N 3.07Å; Y924-T928 VanDerWaalsContact O-CG2 3.31Å; Y924-T928 WeakPolarHBondContact O-CG2 3.45Å; Y924-T928 PolarHBondContact O-N 3.44Å; Y924-T928 PolarHBondContact O-OG1 3.14Å; Y924-T928 VanDerWaalsContact O-OG1 3.11Å
925	A	62	Low	61.1	Low	56 Å²	56	73.9 Å²	73.9	46%	0.463	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-43.9	178.6	0	0	0	0	0	111.4	S921 E922 T928 K929	S921-A925 WeakPolarHBondContact O-CB 3.48Å; S921-A925 PolarHBondContact O-N 3.41Å; E922-A925 PolarHBondContact O-N 2.69Å; A925-T928 PolarHBondContact O-N 3.03Å; A925-T928 PolarHBondContact O-OG1 3.43Å; A925-K929 WeakPolarHBondContact O-CB 3.41Å; A925-K929 PolarHBondContact O-N 3.05Å
926	G	60.9	Low	61	Low	9 Å²	9	77 Å²	77	9%	0.093	40%	0.395	C	S	.	.	H	α-helix	trans	-64.5	-43.6	176.8	0	0	0	0	0	113.1	E922 I923 Y924 K929 M930	E922-G926 PolarHBondContact O-N 2.99Å; I923-G926 PolarHBondContact O-N 3.01Å; Y924-G926 PolarHBondContact O-N 3.49Å; G926-K929 PolarHBondContact O-N 2.63Å; G926-M930 WeakPolarHBondContact O-CB 3.46Å; G926-M930 VanDerWaalsContact O-CG 3.32Å; G926-M930 WeakPolarHBondContact O-CG 3.43Å; G926-M930 PolarHBondContact O-N 3.15Å
927	L	62.5	Low	61.1	Low	4 Å²	4	75.6 Å²	75.6	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-59	-48.3	175.1	-78.7	161.3	0	0	0	111.6	L866 M870 V912 I923 Y924 M930 D931	L866-L927 HydrophobicContact CD2-CD1 4Å; L866-L927 HydrophobicContact CD2-CD2 4.38Å; L866-L927 HydrophobicContact CG-CD2 4.36Å; M870-L927 HydrophobicContact CB-CD2 4.08Å; M870-L927 HydrophobicContact CE-CD2 4.04Å; M870-L927 HydrophobicContact CG-CD2 3.5Å; M870-L927 VanDerWaalsContact CG-CD2 3.5Å; M870-L927 HydrophobicContact SD-CD2 4.37Å; V912-L927 HydrophobicContact CG2-CD1 3.98Å; I923-L927 HydrophobicContact CG2-CD1 3.56Å; I923-L927 HydrophobicContact CG2-CG 4.19Å; I923-L927 WeakPolarHBondContact O-CB 3.44Å; I923-L927 VanDerWaalsContact O-CD1 3.28Å; I923-L927 WeakPolarHBondContact O-CD1 3.4Å; I923-L927 WeakPolarHBondContact O-CG 3.35Å; I923-L927 PolarHBondContact O-N 2.9Å; Y924-L927 PolarHBondContact O-N 3.07Å; L927-M930 PolarHBondContact O-N 3.5Å; L927-D931 WeakPolarHBondContact O-CB 3.42Å; L927-D931 PolarHBondContact O-N 2.91Å
928	T	65.7	Low	61.4	Low	82 Å²	82	73.4 Å²	73.4	50%	0.503	37%	0.372	S	S	.	.	H	α-helix	trans	-66.1	-39.3	178.7	56.8	0	0	0	0	112.1	Y924 A925 D931 M932	Y924-T928 VanDerWaalsContact O-CG2 3.31Å; Y924-T928 WeakPolarHBondContact O-CG2 3.45Å; Y924-T928 PolarHBondContact O-N 3.44Å; Y924-T928 PolarHBondContact O-OG1 3.14Å; Y924-T928 VanDerWaalsContact O-OG1 3.11Å; A925-T928 PolarHBondContact O-N 3.03Å; A925-T928 PolarHBondContact O-OG1 3.43Å; T928-D931 PolarHBondContact O-N 3.3Å; T928-M932 WeakPolarHBondContact O-CG 3.5Å; T928-M932 PolarHBondContact O-N 3.46Å
929	K	65.2	Low	61.5	Low	137 Å²	137	64.1 Å²	64.1	60%	0.596	34%	0.342	S	S	*	.	H	α-helix	trans	-62.7	-43.8	174.7	-173.5	-177.2	174.6	-172.9	0	111.6	A925 G926 M932 E933	A925-K929 WeakPolarHBondContact O-CB 3.41Å; A925-K929 PolarHBondContact O-N 3.05Å; G926-K929 PolarHBondContact O-N 2.63Å; K929-M932 WeakPolarHBondContact O-CB 3.31Å; K929-M932 PolarHBondContact O-N 2.62Å; K929-E933 PolarHBondContact O-N 3.23Å
930	M	61.5	Low	61.4	Low	15 Å²	15	67.3 Å²	67.3	7%	0.074	36%	0.36	C	S	.	.	H	α-helix	trans	-69.2	-36.5	178.3	-71.9	179.4	-174.4	0	0	112.6	Y867 M870 R871 G926 L927 M932 E933 I934	Y867-M930 HydrophobicContact CD2-CE 4.24Å; Y867-M930 HydrophobicContact CD2-SD 4.42Å; Y867-M930 HydrophobicContact CE1-CE 4.15Å; Y867-M930 HydrophobicContact CE2-CE 3.37Å; Y867-M930 HydrophobicContact CE2-SD 3.95Å; Y867-M930 VanDerWaalsContact OH-CE 3.31Å; Y867-M930 WeakPolarHBondContact OH-CE 3.41Å; M870-M930 HydrophobicContact CB-SD 3.93Å; M870-M930 HydrophobicContact CE-CB 4.22Å; R871-M930 HydrophobicContact CB-CE 3.93Å; R871-M930 HydrophobicContact CB-SD 4.27Å; R871-M930 HydrophobicContact CG-CE 4.29Å; G926-M930 WeakPolarHBondContact O-CB 3.46Å; G926-M930 VanDerWaalsContact O-CG 3.32Å; G926-M930 WeakPolarHBondContact O-CG 3.43Å; G926-M930 PolarHBondContact O-N 3.15Å; L927-M930 PolarHBondContact O-N 3.5Å; M930-M932 VanDerWaalsContact C-N 3.28Å; M930-M932 PolarHBondContact O-N 3.41Å; M930-E933 PolarHBondContact O-N 3.1Å; M930-E933 VanDerWaalsContact O-N 3.11Å; M930-I934 VanDerWaalsContact O-CG1 3.26Å; M930-I934 WeakPolarHBondContact O-CG1 3.44Å; M930-I934 PolarHBondContact O-N 2.96Å
931	D	63.5	Low	61.3	Low	27 Å²	27	67.7 Å²	67.7	14%	0.144	36%	0.357	C	S	.	.	H	α-helix	trans	-60.9	-41.8	172.4	-165.5	40.3	0	0	0	110.8	I909 L927 T928 E933 I934 I935	I909-D931 HydrophobicContact CD1-CB 3.67Å; I909-D931 VanDerWaalsContact CD1-OD2 3.28Å; I909-D931 WeakPolarHBondContact CD1-OD2 3.26Å; L927-D931 WeakPolarHBondContact O-CB 3.42Å; L927-D931 PolarHBondContact O-N 2.91Å; T928-D931 PolarHBondContact O-N 3.3Å; D931-E933 VanDerWaalsContact C-N 3.27Å; D931-E933 PolarHBondContact O-N 3.45Å; D931-I934 PolarHBondContact O-N 3.35Å; D931-I935 VanDerWaalsContact O-CG1 3.23Å; D931-I935 WeakPolarHBondContact O-CG1 3.16Å; D931-I935 PolarHBondContact O-N 3.13Å
932	M	59.9	Low	61.4	Low	141 Å²	141	65.6 Å²	65.6	70%	0.695	34%	0.335	S	S	*	.	H	α-helix	trans	-66.2	-24.4	174.2	-66.9	-75.1	-81.8	0	0	113.5	T928 K929 M930	T928-M932 WeakPolarHBondContact O-CG 3.5Å; T928-M932 PolarHBondContact O-N 3.46Å; K929-M932 WeakPolarHBondContact O-CB 3.31Å; K929-M932 PolarHBondContact O-N 2.62Å; M930-M932 VanDerWaalsContact C-N 3.28Å; M930-M932 PolarHBondContact O-N 3.41Å
933	E	58.5	Low	61.3	Low	119 Å²	119	62 Å²	62	56%	0.556	32%	0.32	S	S	*	.	H	α-helix	trans	-82.1	-24.7	172.9	-74.5	175.6	-175	0	0	113	K929 M930 D931	K929-E933 PolarHBondContact O-N 3.23Å; M930-E933 PolarHBondContact O-N 3.1Å; M930-E933 VanDerWaalsContact O-N 3.11Å; D931-E933 VanDerWaalsContact C-N 3.27Å; D931-E933 PolarHBondContact O-N 3.45Å
934	I	57.2	Low	61.4	Low	6 Å²	6	67.1 Å²	67.1	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-86.1	-28.2	178.6	-66.4	164.9	0	0	0	111.8	M870 R902 A905 M930 D931	M870-I934 HydrophobicContact CE-CD1 4.5Å; R902-I934 HydrophobicContact CB-CG2 4.12Å; R902-I934 HydrophobicContact CG-CG2 4.2Å; R902-I934 PolarHBondContact NE-O 3.45Å; R902-I934 PolarHBondContact NH2-O 3.4Å; A905-I934 HydrophobicContact CB-CD1 4.05Å; M930-I934 VanDerWaalsContact O-CG1 3.26Å; M930-I934 WeakPolarHBondContact O-CG1 3.44Å; M930-I934 PolarHBondContact O-N 2.96Å; D931-I934 PolarHBondContact O-N 3.35Å
935	I	55.4	Low	61.1	Low	130 Å²	130	66 Å²	66	67%	0.667	35%	0.349	S	S	*	.			trans	-74.4	0	173.2	-67.9	167.4	0	0	0	109.4	D931	D931-I935 VanDerWaalsContact O-CG1 3.23Å; D931-I935 WeakPolarHBondContact O-CG1 3.16Å; D931-I935 PolarHBondContact O-N 3.13Å

Retrieved 935 of 935 residues in 512.7 ms (Link to these results)

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