A0A3Q0KLP5_SCHMA Loading...

Conserved oligomeric Golgi complex subunit 3

AlphaFold DB , UniProt , Accession A0A3Q0KLP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 821 aa.

						>A0A3Q0KLP5_SCHMA|A0A3Q0KLP5
MSVITWDHIDNQQTLLTEKQLESVFLLNSLNSIHGETTLSSTTTRTTFNANQTDKYECQTTQDDVSIQSASHFYSWLWSVEQKLSAEIPEVPSEFLTFLSRKKLECSKILSIVEEILSKLSILENNYLSISQSTNELHELCEHLLRQQNEMIEYASSIEECLTNFVQVDMIQAELGVSNFIVSREKLLPILNKLDSSLLYFQEHPNFKESPNYLIKVKSSLKIALEYIKSNVTNIIERTINELLELHDVISPENSFILLYGRFRSQGPKIRSLMTLLEKRIHVTDEYAQVIQECHKFYLHHREELLTPVAQNGVSDLLQKYAGDHCTLLRTAGTFIVHMCEDEMRLFNQFFSPNFSQSINQMLFKLCRCLYDAVRPLIIHINHVEILSELCDILKDELLQHDDAKKTTNSPDILAFTDLCGMLLADIQERLIFRAHIYIKSQIFGFVPSSGDLSYPEKLEMMNDIAKSVSMPVNSNNSPDKEKEHENSEAIVAESDSSESNLQDKSTTSDLAIQPGPNMSLAPADLHGMWYPTVRRTLVCLSKLSRCLDADSFRGLAQECVSMCVQSLVKASDLISLRRTTIDGQLFLIKHLLILREQMVPFGIEFLVKETSLDFSPYKNVARSIWEQKGTGLFSLNKENALLRFLLETPNAIDIELDSRRQLDSQLKYTCELFIEQQVLQLTGELSNFLKRAHSILAAPGTRLADQPFANPSYIKEIVSNAHRLLCIALGRSSSSNRPDTVNHNTVPNLRKCLHIYLANPDTENILLRRIQSGVISQWRSMYQLLTDHYNDEDRMIIGCPTESQIRLIFQDNWNRSILSI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	53.5	Low	201 Å²	201	129.2 Å²	129.2	99%	0.99	67%	0.665	S	S	*	*				0	128.1	0	-73.2	-176.4	-162.3	0	0	107.1
2	S	45.3	Very low	54	Low	76 Å²	76	132.3 Å²	132.3	53%	0.531	67%	0.674	S	S	.	*			trans	-68.4	134.1	178.2	58.2	0	0	0	0	109.2	I4 T5	S2-I4 PolarHBondContact O-N 3.13Å; S2-T5 PolarHBondContact O-N 2.81Å; S2-T5 PolarHBondContact O-OG1 3.44Å
3	V	53.3	Low	54.2	Low	122 Å²	122	134.9 Å²	134.9	74%	0.739	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-53.1	-25.4	-177.2	176.4	0	0	0	0	112.3	T5 W6	V3-T5 PolarHBondContact O-N 3.47Å; V3-T5 VanDerWaalsContact O-N 3.16Å; V3-W6 PolarHBondContact O-N 3.2Å; V3-W6 VanDerWaalsContact O-N 3.12Å
4	I	54.1	Low	54.4	Low	136 Å²	136	129.6 Å²	129.6	70%	0.697	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-59.9	-25.7	176.4	-57.6	170	0	0	0	112.6	S2 W6	S2-I4 PolarHBondContact O-N 3.13Å; I4-W6 VanDerWaalsContact C-N 3.26Å; I4-W6 PolarHBondContact O-N 3.33Å
5	T	56	Low	54.7	Low	57 Å²	57	129.9 Å²	129.9	35%	0.35	66%	0.663	S	S	.	*	G	3₁₀ helix	trans	-75.5	-9.1	178.9	53.9	0	0	0	0	114.6	S2 V3 N11	S2-T5 PolarHBondContact O-N 2.81Å; S2-T5 PolarHBondContact O-OG1 3.44Å; V3-T5 PolarHBondContact O-N 3.47Å; V3-T5 VanDerWaalsContact O-N 3.16Å; T5-N11 PolarHBondContact O-ND2 3.32Å; T5-N11 VanDerWaalsContact O-ND2 3.1Å
6	W	54.4	Low	55.6	Low	190 Å²	190	127.8 Å²	127.8	72%	0.72	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-83.6	-26.5	177.5	-86	16.2	0	0	0	114.3	V3 I4 H8	V3-W6 PolarHBondContact O-N 3.2Å; V3-W6 VanDerWaalsContact O-N 3.12Å; I4-W6 VanDerWaalsContact C-N 3.26Å; I4-W6 PolarHBondContact O-N 3.33Å; W6-H8 PolarHBondContact O-N 3.33Å
7	D	54.9	Low	56.6	Low	149 Å²	149	125.1 Å²	125.1	80%	0.797	64%	0.644	S	S	*	*	S	Bend	trans	-86	-3.3	-174.3	-84.8	-14	0	0	0	114.6	I9	D7-I9 PolarHBondContact O-N 3.43Å
8	H	55.4	Low	57.5	Low	129 Å²	129	127.7 Å²	127.7	60%	0.597	65%	0.653	S	S	*	*			trans	-78.8	109.6	176.9	-100.1	-76.4	0	0	0	111	W6 D10 N11	W6-H8 PolarHBondContact O-N 3.33Å; H8-D10 PolarHBondContact O-N 3.24Å; H8-N11 HydrophobicContact CB-CB 4.46Å; H8-N11 WeakPolarHBondContact O-CB 3.42Å; H8-N11 PolarHBondContact O-N 3.18Å
9	I	56.5	Low	58.4	Low	163 Å²	163	129.8 Å²	129.8	84%	0.836	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-27.1	179.4	-66.1	168.1	0	0	0	112.8	D7	D7-I9 PolarHBondContact O-N 3.43Å
10	D	55.1	Low	59.2	Low	145 Å²	145	128 Å²	128	78%	0.775	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	7	-177.2	-61	-36.4	0	0	0	114.4	H8 Q12	H8-D10 PolarHBondContact O-N 3.24Å; D10-Q12 PolarHBondContact O-N 2.85Å; D10-Q12 VanDerWaalsContact O-N 3.16Å
11	N	60.7	Low	60	Low	53 Å²	53	126.8 Å²	126.8	28%	0.283	64%	0.641	S	S	.	*			trans	-77.7	104.8	-177.5	-160.8	-7.5	0	0	0	110.9	T5 H8 Q13 T14	T5-N11 PolarHBondContact O-ND2 3.32Å; T5-N11 VanDerWaalsContact O-ND2 3.1Å; H8-N11 HydrophobicContact CB-CB 4.46Å; H8-N11 WeakPolarHBondContact O-CB 3.42Å; H8-N11 PolarHBondContact O-N 3.18Å; N11-Q13 PolarHBondContact O-N 3.4Å; N11-T14 HydrophobicContact CB-CG2 4.44Å; N11-T14 PolarHBondContact O-N 3.28Å; N11-T14 PolarHBondContact O-OG1 2.85Å
12	Q	58.9	Low	61.4	Low	166 Å²	166	123.1 Å²	123.1	78%	0.776	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-56.9	-19.3	-178.4	-71.1	-174.1	-14.3	0	0	114.3	D10 L15	D10-Q12 PolarHBondContact O-N 2.85Å; D10-Q12 VanDerWaalsContact O-N 3.16Å; Q12-L15 HydrophobicContact CB-CD1 4.48Å
13	Q	56.7	Low	62.9	Low	167 Å²	167	122.1 Å²	122.1	78%	0.78	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-82.1	-10.7	177.6	-65.6	-171.4	-11.9	0	0	114.2	N11	N11-Q13 PolarHBondContact O-N 3.4Å
14	T	57.1	Low	64	Low	60 Å²	60	119.6 Å²	119.6	37%	0.368	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-100.8	5.5	176.3	57.1	0	0	0	0	113.3	N11 L16	N11-T14 HydrophobicContact CB-CG2 4.44Å; N11-T14 PolarHBondContact O-N 3.28Å; N11-T14 PolarHBondContact O-OG1 2.85Å; T14-L16 PolarHBondContact O-N 3Å
15	L	59.3	Low	64.9	Low	134 Å²	134	120.6 Å²	120.6	70%	0.702	60%	0.599	S	S	*	*			trans	-60	111.2	172.1	-80.2	161.3	0	0	0	110.1	Q12 T17	Q12-L15 HydrophobicContact CB-CD1 4.48Å; L15-T17 PolarHBondContact O-N 3.4Å
16	L	68.1	Low	65.8	Low	97 Å²	97	122.6 Å²	122.6	51%	0.508	61%	0.607	S	S	.	*			trans	-55.6	130.4	172.5	-77.5	148.3	0	0	0	109.4	T14 Q20 L21	T14-L16 PolarHBondContact O-N 3Å; L16-Q20 HydrophobicContact CB-CB 4.26Å; L16-Q20 HydrophobicContact CD2-CB 3.78Å; L16-Q20 HydrophobicContact CD2-CG 4.39Å; L16-L21 HydrophobicContact CB-CG 4.32Å
17	T	73.1	Confident	66.4	Low	81 Å²	81	118.9 Å²	118.9	50%	0.497	60%	0.601	S	S	.	*			trans	-60.6	152.6	177.6	54.4	0	0	0	0	110.8	L15 K19 Q20 L21	L15-T17 PolarHBondContact O-N 3.4Å; T17-K19 PolarHBondContact O-N 3.44Å; T17-K19 VanDerWaalsContact O-N 3.12Å; T17-Q20 WeakPolarHBondContact O-CA 3.46Å; T17-Q20 WeakPolarHBondContact O-CB 3.44Å; T17-Q20 PolarHBondContact O-N 2.67Å; T17-Q20 VanDerWaalsContact OG1-CG 3.25Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.35Å; T17-Q20 PolarHBondContact OG1-OE1 2.92Å; T17-L21 PolarHBondContact O-N 3.16Å
18	E	72.9	Confident	67	Low	173 Å²	173	116.8 Å²	116.8	81%	0.808	59%	0.589	S	S	*	*	H	α-helix	trans	-52.2	-39.6	-177.4	-163	175.2	-159.8	0	0	112.3	Q20 L21 E22	E18-Q20 PolarHBondContact O-N 3.45Å; E18-L21 PolarHBondContact O-N 3.18Å; E18-E22 WeakPolarHBondContact O-CB 3.22Å; E18-E22 PolarHBondContact O-N 2.84Å
19	K	73.9	Confident	67.5	Low	168 Å²	168	112.9 Å²	112.9	73%	0.73	58%	0.577	S	S	*	*	H	α-helix	trans	-62.9	-39	173.1	-76.5	-171.7	175.5	-179	0	113.8	T17 E22 S23	T17-K19 PolarHBondContact O-N 3.44Å; T17-K19 VanDerWaalsContact O-N 3.12Å; K19-E22 WeakPolarHBondContact O-CB 3.37Å; K19-E22 PolarHBondContact O-N 3.17Å; K19-S23 PolarHBondContact O-N 3.44Å; K19-S23 PolarHBondContact O-OG 3.22Å
20	Q	75.1	Confident	67.5	Low	92 Å²	92	110.2 Å²	110.2	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-68.6	-42.9	178.7	-74.6	168.3	-37.6	0	0	110.7	L16 T17 E18 E22 S23 V24	L16-Q20 HydrophobicContact CB-CB 4.26Å; L16-Q20 HydrophobicContact CD2-CB 3.78Å; L16-Q20 HydrophobicContact CD2-CG 4.39Å; T17-Q20 WeakPolarHBondContact O-CA 3.46Å; T17-Q20 WeakPolarHBondContact O-CB 3.44Å; T17-Q20 PolarHBondContact O-N 2.67Å; T17-Q20 VanDerWaalsContact OG1-CG 3.25Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.35Å; T17-Q20 PolarHBondContact OG1-OE1 2.92Å; E18-Q20 PolarHBondContact O-N 3.45Å; Q20-E22 VanDerWaalsContact C-N 3.33Å; Q20-E22 PolarHBondContact O-N 2.98Å; Q20-S23 VanDerWaalsContact CA-OG 3.29Å; Q20-S23 WeakPolarHBondContact CA-OG 3.45Å; Q20-S23 PolarHBondContact O-N 2.94Å; Q20-S23 PolarHBondContact O-OG 2.83Å; Q20-V24 WeakPolarHBondContact O-CG2 3.3Å; Q20-V24 PolarHBondContact O-N 3.47Å
21	L	75	Confident	67.3	Low	103 Å²	103	109.2 Å²	109.2	54%	0.539	56%	0.558	S	S	.	*	H	α-helix	trans	-59.3	-42.5	171.4	-96.1	161.1	0	0	0	111.8	L16 T17 E18 S23 V24 F25	L16-L21 HydrophobicContact CB-CG 4.32Å; T17-L21 PolarHBondContact O-N 3.16Å; E18-L21 PolarHBondContact O-N 3.18Å; L21-S23 PolarHBondContact O-N 3.25Å; L21-V24 PolarHBondContact O-N 3.48Å; L21-F25 WeakPolarHBondContact O-CB 3.42Å; L21-F25 PolarHBondContact O-N 3.11Å
22	E	74.7	Confident	66.6	Low	124 Å²	124	111.5 Å²	111.5	58%	0.579	58%	0.578	S	S	*	*	H	α-helix	trans	-59.4	-45.3	173.9	-123.7	-178.2	178.4	0	0	112	E18 K19 Q20 F25 L26	E18-E22 WeakPolarHBondContact O-CB 3.22Å; E18-E22 PolarHBondContact O-N 2.84Å; K19-E22 WeakPolarHBondContact O-CB 3.37Å; K19-E22 PolarHBondContact O-N 3.17Å; Q20-E22 VanDerWaalsContact C-N 3.33Å; Q20-E22 PolarHBondContact O-N 2.98Å; E22-F25 PolarHBondContact O-N 3.23Å; E22-L26 WeakPolarHBondContact O-CB 3.41Å; E22-L26 PolarHBondContact O-N 3.45Å
23	S	76.4	Confident	66	Low	56 Å²	56	109.8 Å²	109.8	39%	0.392	57%	0.573	S	S	.	*	H	α-helix	trans	-68.4	-36	177.7	43.5	0	0	0	0	113.3	K19 Q20 L21 L26 L27	K19-S23 PolarHBondContact O-N 3.44Å; K19-S23 PolarHBondContact O-OG 3.22Å; Q20-S23 VanDerWaalsContact CA-OG 3.29Å; Q20-S23 WeakPolarHBondContact CA-OG 3.45Å; Q20-S23 PolarHBondContact O-N 2.94Å; Q20-S23 PolarHBondContact O-OG 2.83Å; L21-S23 PolarHBondContact O-N 3.25Å; S23-L26 PolarHBondContact O-N 3.41Å; S23-L27 WeakPolarHBondContact O-CB 3.15Å; S23-L27 WeakPolarHBondContact O-CG 3.4Å; S23-L27 PolarHBondContact O-N 3.16Å
24	V	74.9	Confident	65	Low	69 Å²	69	109.9 Å²	109.9	42%	0.418	57%	0.573	S	S	.	*	H	α-helix	trans	-66.6	-40.9	172.9	172	0	0	0	0	110.3	Q20 L21 L27 N28	Q20-V24 WeakPolarHBondContact O-CG2 3.3Å; Q20-V24 PolarHBondContact O-N 3.47Å; L21-V24 PolarHBondContact O-N 3.48Å; V24-L27 PolarHBondContact O-N 3.45Å; V24-N28 WeakPolarHBondContact O-CB 3.49Å; V24-N28 PolarHBondContact O-N 3.27Å
25	F	74.4	Confident	63.7	Low	156 Å²	156	109.9 Å²	109.9	68%	0.684	59%	0.585	S	S	*	*	H	α-helix	trans	-63.1	-43.3	174	-173.5	-95	0	0	0	111.5	L21 E22 N28 S29	L21-F25 WeakPolarHBondContact O-CB 3.42Å; L21-F25 PolarHBondContact O-N 3.11Å; E22-F25 PolarHBondContact O-N 3.23Å; F25-N28 PolarHBondContact O-N 3.27Å; F25-S29 VanDerWaalsContact O-CB 3.31Å; F25-S29 WeakPolarHBondContact O-CB 3.4Å; F25-S29 PolarHBondContact O-N 3.26Å; F25-S29 PolarHBondContact O-OG 3.44Å
26	L	74	Confident	62.2	Low	100 Å²	100	112 Å²	112	52%	0.524	59%	0.591	S	S	.	*	H	α-helix	trans	-60.8	-46.7	174.2	-104.4	153.5	0	0	0	111.9	E22 S23 S29 L30	E22-L26 WeakPolarHBondContact O-CB 3.41Å; E22-L26 PolarHBondContact O-N 3.45Å; S23-L26 PolarHBondContact O-N 3.41Å; L26-S29 WeakPolarHBondContact CA-OG 3.48Å; L26-S29 PolarHBondContact O-N 3.34Å; L26-S29 PolarHBondContact O-OG 3.48Å; L26-L30 WeakPolarHBondContact O-CG 3.39Å; L26-L30 PolarHBondContact O-N 3.41Å
27	L	68	Low	60.2	Low	112 Å²	112	112.6 Å²	112.6	59%	0.586	60%	0.599	S	S	*	*	H	α-helix	trans	-63.3	-42.3	177.5	-85.5	156.9	0	0	0	112.3	S23 V24 L30 N31	S23-L27 WeakPolarHBondContact O-CB 3.15Å; S23-L27 WeakPolarHBondContact O-CG 3.4Å; S23-L27 PolarHBondContact O-N 3.16Å; V24-L27 PolarHBondContact O-N 3.45Å; L27-L30 PolarHBondContact O-N 3.04Å; L27-N31 PolarHBondContact O-N 3.21Å
28	N	67.1	Low	58.2	Low	104 Å²	104	114.6 Å²	114.6	56%	0.556	61%	0.611	S	S	*	*	H	α-helix	trans	-69.2	-35	175.3	-82.8	-15.6	0	0	0	112.3	V24 F25 L30 N31 S32	V24-N28 WeakPolarHBondContact O-CB 3.49Å; V24-N28 PolarHBondContact O-N 3.27Å; F25-N28 PolarHBondContact O-N 3.27Å; N28-L30 VanDerWaalsContact C-N 3.32Å; N28-N31 PolarHBondContact O-N 2.99Å; N28-S32 WeakPolarHBondContact O-CB 3.48Å; N28-S32 PolarHBondContact O-N 3.19Å
29	S	65.3	Low	56	Low	48 Å²	48	114 Å²	114	34%	0.336	61%	0.612	S	S	.	*	H	α-helix	trans	-67.7	-32.5	174.2	71.1	0	0	0	0	112.5	F25 L26	F25-S29 VanDerWaalsContact O-CB 3.31Å; F25-S29 WeakPolarHBondContact O-CB 3.4Å; F25-S29 PolarHBondContact O-N 3.26Å; F25-S29 PolarHBondContact O-OG 3.44Å; L26-S29 WeakPolarHBondContact CA-OG 3.48Å; L26-S29 PolarHBondContact O-N 3.34Å; L26-S29 PolarHBondContact O-OG 3.48Å
30	L	57.7	Low	54.1	Low	107 Å²	107	111.7 Å²	111.7	56%	0.56	62%	0.617	S	S	*	*	H	α-helix	trans	-71.2	-38.4	173	-74.5	166.9	0	0	0	111.9	L26 L27 N28	L26-L30 WeakPolarHBondContact O-CG 3.39Å; L26-L30 PolarHBondContact O-N 3.41Å; L27-L30 PolarHBondContact O-N 3.04Å; N28-L30 VanDerWaalsContact C-N 3.32Å
31	N	50.9	Low	51.7	Low	124 Å²	124	111.4 Å²	111.4	66%	0.663	63%	0.626	S	S	*	*	H	α-helix	trans	-72.6	-28.7	176.9	-93.8	-9.8	0	0	0	113.4	L27 N28 I33 H34	L27-N31 PolarHBondContact O-N 3.21Å; N28-N31 PolarHBondContact O-N 2.99Å; N31-I33 VanDerWaalsContact C-N 3.28Å; N31-I33 PolarHBondContact O-N 3.14Å; N31-H34 PolarHBondContact O-N 3.06Å
32	S	45	Very low	49.6	Very low	100 Å²	100	113.3 Å²	113.3	70%	0.699	64%	0.642	S	S	*	*	H	α-helix	trans	-78.3	-9.3	178.9	-149.2	0	0	0	0	113.8	N28 H34	N28-S32 WeakPolarHBondContact O-CB 3.48Å; N28-S32 PolarHBondContact O-N 3.19Å; S32-H34 VanDerWaalsContact C-N 3.32Å
33	I	46.1	Very low	47.1	Very low	131 Å²	131	112.8 Å²	112.8	67%	0.672	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-6.7	171.4	-65.8	170.9	0	0	0	112.2	N31	N31-I33 VanDerWaalsContact C-N 3.28Å; N31-I33 PolarHBondContact O-N 3.14Å
34	H	35.3	Very low	44.7	Very low	169 Å²	169	116 Å²	116	78%	0.782	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	46.8	171.4	-70.8	-26.5	0	0	0	112	N31 S32	N31-H34 PolarHBondContact O-N 3.06Å; S32-H34 VanDerWaalsContact C-N 3.32Å
35	G	30.9	Very low	42.2	Very low	59 Å²	59	123.3 Å²	123.3	61%	0.608	69%	0.685	S	S	*	*			trans	-81.4	121.4	158.8	0	0	0	0	0	111
36	E	27.3	Very low	40.1	Very low	180 Å²	180	122.5 Å²	122.5	84%	0.841	69%	0.693	S	S	*	*			trans	65.3	104.8	149	-73.7	-174.8	-176.8	0	0	119.8
37	T	27	Very low	37.8	Very low	109 Å²	109	122.5 Å²	122.5	67%	0.669	70%	0.697	S	S	*	*				94.9	118.6	118.6	-46.3	0	0	0	0	118.4
38	T	29.9	Very low	36.1	Very low	122 Å²	122	127.2 Å²	127.2	75%	0.748	71%	0.713	S	S	*	*			trans	71.5	114.3	151.5	54.9	0	0	0	0	119.2
39	L	27.5	Very low	34.1	Very low	160 Å²	160	129.5 Å²	129.5	84%	0.838	73%	0.725	S	S	*	*			trans	-156.8	92.2	138	-99.4	155.1	0	0	0	109.1	S41	L39-S41 VanDerWaalsContact C-N 3.34Å; L39-S41 PolarHBondContact O-N 3.2Å
40	S	34.5	Very low	32.3	Very low	120 Å²	120	131.6 Å²	131.6	84%	0.839	75%	0.746	S	S	*	*			trans	-56.3	100.1	148.6	-54	0	0	0	0	107.4
41	S	24.8	Very low	30.7	Very low	87 Å²	87	134.2 Å²	134.2	61%	0.608	76%	0.76	S	S	*	*			trans	-111.7	81.3	179.3	64.3	0	0	0	0	111.1	L39 T43	L39-S41 VanDerWaalsContact C-N 3.34Å; L39-S41 PolarHBondContact O-N 3.2Å; S41-T43 PolarHBondContact O-N 2.73Å
42	T	29.4	Very low	29.7	Very low	143 Å²	143	137.7 Å²	137.7	88%	0.877	77%	0.773	S	S	*	*			trans	-66.1	97.9	151.1	-37	0	0	0	0	108.2
43	T	23.4	Very low	28.8	Very low	112 Å²	112	138.6 Å²	138.6	69%	0.687	77%	0.774	S	S	*	*			trans	-160.7	130	169.3	-10.2	0	0	0	0	106.4	S41	S41-T43 PolarHBondContact O-N 2.73Å
44	T	25	Very low	28.1	Very low	124 Å²	124	139.6 Å²	139.6	76%	0.761	78%	0.781	S	S	*	*			cis	-162.4	137.2	25.6	-23.5	0	0	0	0	108.2	T46	T44-T46 PolarHBondContact O-N 3.26Å
45	R	23.1	Very low	27.7	Very low	222 Å²	222	140.3 Å²	140.3	84%	0.838	78%	0.782	S	S	*	*			trans	-51.4	127	160.2	-85	170.9	163.9	164.8	-6	110.3	T47	R45-T47 HydrophobicContact CB-CG2 4.43Å
46	T	30.4	Very low	27.9	Very low	139 Å²	139	148.5 Å²	148.5	85%	0.853	80%	0.796	S	S	*	*			trans	-102.4	96.1	142.8	38.1	0	0	0	0	107.7	T44	T44-T46 PolarHBondContact O-N 3.26Å
47	T	25.8	Very low	27.9	Very low	100 Å²	100	148.2 Å²	148.2	61%	0.613	79%	0.794	S	S	*	*			trans	-72.1	117.2	165.1	40.4	0	0	0	0	109.1	R45	R45-T47 HydrophobicContact CB-CG2 4.43Å
48	F	31.6	Very low	27.8	Very low	211 Å²	211	148.4 Å²	148.4	93%	0.925	80%	0.799	S	S	*	*			trans	-108.8	123	153.5	-105.3	-87.6	0	0	0	107.7
49	N	25.2	Very low	28	Very low	152 Å²	152	151.6 Å²	151.6	81%	0.813	81%	0.805	S	S	*	*			trans	-96.8	160.1	-171.6	-106	-15.8	0	0	0	111.6
50	A	27.1	Very low	28.1	Very low	92 Å²	92	150.3 Å²	150.3	76%	0.76	80%	0.804	S	S	*	*			trans	96.4	92.5	151.2	0	0	0	0	0	119.3
51	N	24.7	Very low	28.3	Very low	162 Å²	162	150.8 Å²	150.8	87%	0.866	80%	0.802	S	S	*	*				12.4	123.1	123.4	-60.5	-12.1	0	0	0	118.3
52	Q	30.7	Very low	28.9	Very low	198 Å²	198	154.9 Å²	154.9	93%	0.925	81%	0.812	S	S	*	*			trans	-150.2	127.2	135.3	-108.5	171.8	15.3	0	0	110.7
53	T	25.7	Very low	29.7	Very low	119 Å²	119	155.2 Å²	155.2	73%	0.73	81%	0.808	S	S	*	*			trans	-71.7	151	171.4	44.9	0	0	0	0	111.3
54	D	30.9	Very low	30.5	Very low	152 Å²	152	157.2 Å²	157.2	81%	0.813	82%	0.815	S	S	*	*				-161.6	138.3	124.1	-92.1	-24.3	0	0	0	113.2
55	K	27.7	Very low	32.1	Very low	184 Å²	184	156 Å²	156	80%	0.8	81%	0.807	S	S	*	*			trans	-82.3	139	179.2	-67.6	172.6	172.1	-178.9	0	109.8
56	Y	34.8	Very low	33.3	Very low	230 Å²	230	149.6 Å²	149.6	90%	0.902	80%	0.796	S	S	*	*			trans	-121.1	115.6	159.5	-83.2	-86.8	0	0	0	109.6
57	E	27.1	Very low	34.6	Very low	175 Å²	175	146.8 Å²	146.8	82%	0.818	78%	0.775	S	S	*	*			trans	-89.9	134.4	175.9	-80.2	176	157.6	0	0	111.6
58	C	25.4	Very low	36.2	Very low	113 Å²	113	150.5 Å²	150.5	76%	0.764	79%	0.786	S	S	*	*			trans	25.1	115.1	138.1	-143.8	0	0	0	0	120.5
59	Q	34.4	Very low	37.6	Very low	189 Å²	189	143 Å²	143	88%	0.883	76%	0.759	S	S	*	*			trans	-139.1	119.2	137.4	-74.9	-170.7	-4.9	0	0	110.4
60	T	29.3	Very low	39.6	Very low	133 Å²	133	139 Å²	139	82%	0.816	75%	0.747	S	S	*	*			trans	-68.3	118.5	167.8	17.9	0	0	0	0	110.5
61	T	39	Very low	41.8	Very low	130 Å²	130	138.5 Å²	138.5	80%	0.798	74%	0.738	S	S	*	*			trans	-114.9	116.9	155.1	50.5	0	0	0	0	107.8	D63	T61-D63 PolarHBondContact O-N 3.38Å; T61-D63 VanDerWaalsContact O-N 3.13Å
62	Q	35.6	Very low	43.8	Very low	173 Å²	173	135.5 Å²	135.5	81%	0.808	72%	0.719	S	S	*	*			trans	-55.7	108.9	176.8	-69.6	167.5	-60.5	0	0	110.7
63	D	46	Very low	45.8	Very low	149 Å²	149	130.6 Å²	130.6	80%	0.797	69%	0.694	S	S	*	*			trans	-128.2	85.5	145.4	-88.2	-29	0	0	0	105	T61 V65	T61-D63 PolarHBondContact O-N 3.38Å; T61-D63 VanDerWaalsContact O-N 3.13Å; D63-V65 PolarHBondContact O-N 3.28Å
64	D	41.7	Very low	48.2	Very low	154 Å²	154	132.2 Å²	132.2	82%	0.824	69%	0.688	S	S	*	*			trans	-65.4	85.9	175.4	-82.7	-31.1	0	0	0	109	S66	D64-S66 PolarHBondContact O-N 3.45Å
65	V	57.2	Low	50.1	Low	99 Å²	99	129.1 Å²	129.1	60%	0.6	68%	0.678	S	S	*	*			trans	-78.5	102.5	168.9	-178.4	0	0	0	0	107.5	D63 I67	D63-V65 PolarHBondContact O-N 3.28Å; V65-I67 HydrophobicContact CG1-CG1 4.22Å; V65-I67 PolarHBondContact O-N 3.41Å
66	S	49	Very low	52.4	Low	88 Å²	88	126.5 Å²	126.5	62%	0.615	66%	0.664	S	S	*	*			trans	-68.4	99	173.4	66.6	0	0	0	0	110.4	D64 Q68	D64-S66 PolarHBondContact O-N 3.45Å; S66-Q68 PolarHBondContact O-N 3.49Å
67	I	57.6	Low	54.5	Low	80 Å²	80	118.4 Å²	118.4	41%	0.41	64%	0.636	S	S	.	*			trans	-83.9	107	174.9	-59.8	170.2	0	0	0	108.1	V65 H72 F73	V65-I67 HydrophobicContact CG1-CG1 4.22Å; V65-I67 PolarHBondContact O-N 3.41Å; I67-H72 HydrophobicContact CB-CB 4.42Å; I67-H72 HydrophobicContact CG2-CB 3.89Å; I67-F73 HydrophobicContact CG2-CB 4.39Å
68	Q	60.1	Low	56.8	Low	178 Å²	178	118 Å²	118	83%	0.832	63%	0.627	S	S	*	*			trans	-111.4	-6	178.3	-68.4	-174.9	-1.8	0	0	114.2	S66	S66-Q68 PolarHBondContact O-N 3.49Å
69	S	61.5	Low	59	Low	52 Å²	52	115.2 Å²	115.2	36%	0.364	61%	0.608	S	S	.	*	S	Bend	trans	-144.2	157.3	177.8	75.4	0	0	0	0	112.3	S71 H72 F73	S69-S71 PolarHBondContact O-N 3.28Å; S69-S71 PolarHBondContact OG-OG 3.01Å; S69-H72 WeakPolarHBondContact O-CB 3.38Å; S69-H72 PolarHBondContact O-N 2.95Å; S69-H72 PolarHBondContact OG-CD2 2.98Å; S69-F73 PolarHBondContact O-N 3.3Å
70	A	66.5	Low	60.8	Low	69 Å²	69	109 Å²	109	57%	0.57	58%	0.583	S	S	*	*	H	α-helix	trans	-58.8	-28.6	-178.9	0	0	0	0	0	113.3	H72 F73 Y74	A70-H72 VanDerWaalsContact C-N 3.32Å; A70-H72 PolarHBondContact O-N 3.18Å; A70-F73 PolarHBondContact O-N 3.14Å; A70-Y74 HydrophobicContact CB-CE2 4.5Å; A70-Y74 WeakPolarHBondContact O-CD2 3.36Å; A70-Y74 PolarHBondContact O-N 3.27Å
71	S	72.5	Confident	62.8	Low	81 Å²	81	107.7 Å²	107.7	57%	0.566	57%	0.568	S	S	*	*	H	α-helix	trans	-68.2	-30.4	175.2	55.8	0	0	0	0	112.8	S69 F73 S75	S69-S71 PolarHBondContact O-N 3.28Å; S69-S71 PolarHBondContact OG-OG 3.01Å; S71-F73 VanDerWaalsContact C-N 3.35Å; S71-S75 WeakPolarHBondContact O-CB 3.48Å; S71-S75 PolarHBondContact O-N 3.19Å; S71-S75 VanDerWaalsContact O-N 3.16Å
72	H	67.7	Low	64.2	Low	99 Å²	99	107.5 Å²	107.5	46%	0.458	56%	0.558	S	S	.	*	H	α-helix	trans	-69.8	-33	172.3	-72.8	-125.1	0	0	0	111.4	I67 S69 A70 W76	I67-H72 HydrophobicContact CB-CB 4.42Å; I67-H72 HydrophobicContact CG2-CB 3.89Å; S69-H72 WeakPolarHBondContact O-CB 3.38Å; S69-H72 PolarHBondContact O-N 2.95Å; S69-H72 PolarHBondContact OG-CD2 2.98Å; A70-H72 VanDerWaalsContact C-N 3.32Å; A70-H72 PolarHBondContact O-N 3.18Å; H72-W76 WeakPolarHBondContact O-CB 3.41Å; H72-W76 PolarHBondContact O-N 3.17Å
73	F	71.9	Confident	65.5	Low	95 Å²	95	106.6 Å²	106.6	42%	0.417	55%	0.551	S	S	.	*	H	α-helix	trans	-70.1	-46.9	175.3	179.7	-98.9	0	0	0	112.5	I67 S69 A70 S71 S75 W76 L77	I67-F73 HydrophobicContact CG2-CB 4.39Å; S69-F73 PolarHBondContact O-N 3.3Å; A70-F73 PolarHBondContact O-N 3.14Å; S71-F73 VanDerWaalsContact C-N 3.35Å; F73-S75 VanDerWaalsContact C-N 3.34Å; F73-S75 PolarHBondContact O-N 3.22Å; F73-W76 HydrophobicContact CE2-CE3 4.41Å; F73-W76 HydrophobicContact CE2-CZ3 4.35Å; F73-W76 PolarHBondContact O-N 3.36Å; F73-L77 HydrophobicContact CE1-CD2 4.33Å; F73-L77 WeakPolarHBondContact O-CB 3.43Å; F73-L77 PolarHBondContact O-N 2.74Å
74	Y	75.9	Confident	66.3	Low	154 Å²	154	104.7 Å²	104.7	60%	0.604	54%	0.541	S	S	*	.	H	α-helix	trans	-65.2	-36.8	178.6	-74.6	-67.9	0	0	0	112.5	A70 L77 W78	A70-Y74 HydrophobicContact CB-CE2 4.5Å; A70-Y74 WeakPolarHBondContact O-CD2 3.36Å; A70-Y74 PolarHBondContact O-N 3.27Å; Y74-L77 HydrophobicContact CD1-CD2 4.44Å; Y74-L77 PolarHBondContact O-N 3.22Å; Y74-W78 WeakPolarHBondContact O-CB 3.41Å; Y74-W78 PolarHBondContact O-N 3.31Å
75	S	71.8	Confident	67.1	Low	86 Å²	86	101.7 Å²	101.7	60%	0.601	53%	0.532	S	S	*	.	H	α-helix	trans	-62	-41.9	173.8	179.4	0	0	0	0	112.2	S71 F73 S79	S71-S75 WeakPolarHBondContact O-CB 3.48Å; S71-S75 PolarHBondContact O-N 3.19Å; S71-S75 VanDerWaalsContact O-N 3.16Å; F73-S75 VanDerWaalsContact C-N 3.34Å; F73-S75 PolarHBondContact O-N 3.22Å; S75-S79 PolarHBondContact O-N 2.97Å
76	W	76.1	Confident	67.3	Low	130 Å²	130	101 Å²	101	49%	0.492	54%	0.537	S	S	.	.	H	α-helix	trans	-69.1	-42.9	175.3	178.7	84.4	0	0	0	112.4	H72 F73 W78 S79 V80	H72-W76 WeakPolarHBondContact O-CB 3.41Å; H72-W76 PolarHBondContact O-N 3.17Å; F73-W76 HydrophobicContact CE2-CE3 4.41Å; F73-W76 HydrophobicContact CE2-CZ3 4.35Å; F73-W76 PolarHBondContact O-N 3.36Å; W76-W78 VanDerWaalsContact C-N 3.34Å; W76-W78 PolarHBondContact O-N 3.41Å; W76-S79 WeakPolarHBondContact O-CB 3.39Å; W76-S79 PolarHBondContact O-N 3.34Å; W76-S79 VanDerWaalsContact O-N 3.16Å; W76-V80 HydrophobicContact CD2-CG2 4.17Å; W76-V80 HydrophobicContact CE3-CG2 4.44Å; W76-V80 HydrophobicContact CH2-CG2 4.2Å; W76-V80 HydrophobicContact CZ2-CG2 3.89Å; W76-V80 HydrophobicContact CZ3-CG2 4.46Å; W76-V80 WeakPolarHBondContact O-CG2 3.48Å; W76-V80 PolarHBondContact O-N 3.15Å
77	L	78.9	Confident	67.5	Low	59 Å²	59	105 Å²	105	31%	0.309	55%	0.545	S	S	.	.	H	α-helix	trans	-60.4	-42.7	176.9	-175.6	70.7	0	0	0	111.6	F73 Y74 S79 V80 E81	F73-L77 HydrophobicContact CE1-CD2 4.33Å; F73-L77 WeakPolarHBondContact O-CB 3.43Å; F73-L77 PolarHBondContact O-N 2.74Å; Y74-L77 HydrophobicContact CD1-CD2 4.44Å; Y74-L77 PolarHBondContact O-N 3.22Å; L77-S79 VanDerWaalsContact C-N 3.33Å; L77-S79 PolarHBondContact O-N 3.25Å; L77-V80 PolarHBondContact O-N 3.41Å; L77-E81 PolarHBondContact O-N 2.81Å
78	W	74.7	Confident	67.4	Low	167 Å²	167	106.5 Å²	106.5	63%	0.633	55%	0.553	S	S	*	*	H	α-helix	trans	-62.5	-40.6	175.6	-124.9	68.6	0	0	0	111.8	Y74 W76 V80 E81 Q82	Y74-W78 WeakPolarHBondContact O-CB 3.41Å; Y74-W78 PolarHBondContact O-N 3.31Å; W76-W78 VanDerWaalsContact C-N 3.34Å; W76-W78 PolarHBondContact O-N 3.41Å; W78-V80 VanDerWaalsContact C-N 3.31Å; W78-V80 PolarHBondContact O-N 3.17Å; W78-E81 PolarHBondContact O-N 3.11Å; W78-Q82 WeakPolarHBondContact O-CB 3.31Å; W78-Q82 PolarHBondContact O-N 3.34Å
79	S	71.9	Confident	67	Low	54 Å²	54	103.4 Å²	103.4	38%	0.378	55%	0.549	S	S	.	.	H	α-helix	trans	-62.9	-36.4	174.5	-177.6	0	0	0	0	112.4	S75 W76 L77 K83	S75-S79 PolarHBondContact O-N 2.97Å; W76-S79 WeakPolarHBondContact O-CB 3.39Å; W76-S79 PolarHBondContact O-N 3.34Å; W76-S79 VanDerWaalsContact O-N 3.16Å; L77-S79 VanDerWaalsContact C-N 3.33Å; L77-S79 PolarHBondContact O-N 3.25Å; S79-K83 WeakPolarHBondContact O-CG 3.32Å; S79-K83 PolarHBondContact O-N 3.43Å
80	V	72.1	Confident	66.6	Low	59 Å²	59	110 Å²	110	36%	0.358	57%	0.574	S	S	.	*	H	α-helix	trans	-72.4	-46.6	175.6	175.2	0	0	0	0	111.6	W76 L77 W78 Q82 K83 L84	W76-V80 HydrophobicContact CD2-CG2 4.17Å; W76-V80 HydrophobicContact CE3-CG2 4.44Å; W76-V80 HydrophobicContact CH2-CG2 4.2Å; W76-V80 HydrophobicContact CZ2-CG2 3.89Å; W76-V80 HydrophobicContact CZ3-CG2 4.46Å; W76-V80 WeakPolarHBondContact O-CG2 3.48Å; W76-V80 PolarHBondContact O-N 3.15Å; L77-V80 PolarHBondContact O-N 3.41Å; W78-V80 VanDerWaalsContact C-N 3.31Å; W78-V80 PolarHBondContact O-N 3.17Å; V80-Q82 VanDerWaalsContact C-N 3.3Å; V80-Q82 PolarHBondContact O-N 3.18Å; V80-K83 PolarHBondContact O-N 3.12Å; V80-L84 WeakPolarHBondContact O-CB 3.49Å; V80-L84 PolarHBondContact O-N 3.24Å
81	E	72.2	Confident	66.1	Low	106 Å²	106	113.3 Å²	113.3	50%	0.495	59%	0.586	S	S	.	*	H	α-helix	trans	-60.2	-40	176.5	-84.7	-175.3	152.1	0	0	111.8	L77 W78 L84 S85	L77-E81 PolarHBondContact O-N 2.81Å; W78-E81 PolarHBondContact O-N 3.11Å; E81-L84 PolarHBondContact O-N 2.96Å; E81-S85 VanDerWaalsContact O-CB 3.3Å; E81-S85 WeakPolarHBondContact O-CB 3.37Å; E81-S85 PolarHBondContact O-N 3.5Å; E81-S85 PolarHBondContact O-OG 2.81Å
82	Q	68.3	Low	65.3	Low	126 Å²	126	114.5 Å²	114.5	59%	0.589	59%	0.592	S	S	*	*	H	α-helix	trans	-69.6	-34	179.4	-157.4	170	21.9	0	0	112.1	W78 V80 A86	W78-Q82 WeakPolarHBondContact O-CB 3.31Å; W78-Q82 PolarHBondContact O-N 3.34Å; V80-Q82 VanDerWaalsContact C-N 3.3Å; V80-Q82 PolarHBondContact O-N 3.18Å; Q82-A86 PolarHBondContact O-N 3.4Å
83	K	62.7	Low	64.9	Low	153 Å²	153	114 Å²	114	67%	0.665	60%	0.6	S	S	*	*	H	α-helix	trans	-70.8	-40.1	170.7	-75.4	178.9	-179.5	-179.4	0	112.3	S79 V80 A86	S79-K83 WeakPolarHBondContact O-CG 3.32Å; S79-K83 PolarHBondContact O-N 3.43Å; V80-K83 PolarHBondContact O-N 3.12Å; K83-A86 PolarHBondContact O-N 2.82Å
84	L	61.6	Low	64.6	Low	109 Å²	109	117.4 Å²	117.4	57%	0.571	62%	0.617	S	S	*	*	H	α-helix	trans	-68.4	-39.3	179.3	-152.2	92.3	0	0	0	111.9	V80 E81 A86 E87 I88	V80-L84 WeakPolarHBondContact O-CB 3.49Å; V80-L84 PolarHBondContact O-N 3.24Å; E81-L84 PolarHBondContact O-N 2.96Å; L84-A86 PolarHBondContact O-N 3.41Å; L84-E87 PolarHBondContact O-N 3.33Å; L84-I88 HydrophobicContact CD2-CD1 4.15Å; L84-I88 HydrophobicContact CG-CD1 4.33Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å
85	S	59.9	Low	64.3	Low	91 Å²	91	116.9 Å²	116.9	64%	0.636	62%	0.618	S	S	*	*	H	α-helix	trans	-66.5	-24.6	177.5	-54.1	0	0	0	0	112.5	E81	E81-S85 VanDerWaalsContact O-CB 3.3Å; E81-S85 WeakPolarHBondContact O-CB 3.37Å; E81-S85 PolarHBondContact O-N 3.5Å; E81-S85 PolarHBondContact O-OG 2.81Å
86	A	60.5	Low	64.1	Low	86 Å²	86	119.3 Å²	119.3	71%	0.711	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-15.9	176.4	0	0	0	0	0	113.6	Q82 K83 L84	Q82-A86 PolarHBondContact O-N 3.4Å; K83-A86 PolarHBondContact O-N 2.82Å; L84-A86 PolarHBondContact O-N 3.41Å
87	E	52.9	Low	64.1	Low	170 Å²	170	117.2 Å²	117.2	79%	0.794	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-5.5	-176.6	-77.5	-171.4	162.2	0	0	115.2	L84 P89	L84-E87 PolarHBondContact O-N 3.33Å; E87-P89 WeakPolarHBondContact O-CD 3.49Å
88	I	54.9	Low	64.3	Low	112 Å²	112	119 Å²	119	57%	0.574	63%	0.631	S	S	*	*	S	Bend	trans	-93.8	114.3	179.5	-58.8	165.1	0	0	0	110.5	L84 E90	L84-I88 HydrophobicContact CD2-CD1 4.15Å; L84-I88 HydrophobicContact CG-CD1 4.33Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; I88-E90 PolarHBondContact O-N 2.84Å
89	P	52	Low	64.3	Low	114 Å²	114	115.4 Å²	115.4	74%	0.74	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-71.2	125.9	176.4	-9.4	25.3	0	0	0	111.1	E87 V91	E87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-V91 PolarHBondContact O-N 3.35Å
90	E	54.3	Low	64.8	Low	191 Å²	191	116.1 Å²	116.1	89%	0.893	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-63.6	124.1	-176	-65	-179.7	151	0	0	113.5	I88	I88-E90 PolarHBondContact O-N 2.84Å
91	V	54.9	Low	65.4	Low	137 Å²	137	120.2 Å²	120.2	83%	0.83	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-79.8	124.5	169.2	178.3	0	0	0	0	109	P89	P89-V91 PolarHBondContact O-N 3.35Å
92	P	56.8	Low	65.9	Low	106 Å²	106	119.7 Å²	119.7	69%	0.688	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-72.4	130.5	-166.3	16.5	-20.6	0	0	0	114.9	E94	P92-E94 VanDerWaalsContact C-N 3.29Å; P92-E94 PolarHBondContact O-N 3.01Å; P92-E94 VanDerWaalsContact O-N 3.11Å
93	S	59.4	Low	66.8	Low	90 Å²	90	121.7 Å²	121.7	63%	0.629	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-19.2	-174.3	171.6	0	0	0	0	117.6	F95 T97	S93-F95 PolarHBondContact O-N 3.4Å; S93-T97 PolarHBondContact O-OG1 3.11Å
94	E	64.5	Low	67.9	Low	165 Å²	165	119.2 Å²	119.2	77%	0.771	63%	0.634	S	S	*	*	H	α-helix	trans	-68.3	-31.7	-166.9	-65.9	-175.9	158.6	0	0	114.8	P92 T97 F98	P92-E94 VanDerWaalsContact C-N 3.29Å; P92-E94 PolarHBondContact O-N 3.01Å; P92-E94 VanDerWaalsContact O-N 3.11Å; E94-T97 PolarHBondContact O-N 2.91Å; E94-F98 PolarHBondContact O-N 3.44Å
95	F	69.5	Low	69.2	Low	143 Å²	143	117.7 Å²	117.7	63%	0.627	62%	0.624	S	S	*	*	H	α-helix	trans	-72.7	-35.8	-174.6	-171.3	-106.6	0	0	0	113.2	S93 T97 F98 L99	S93-F95 PolarHBondContact O-N 3.4Å; F95-T97 VanDerWaalsContact C-N 3.3Å; F95-T97 PolarHBondContact O-N 2.87Å; F95-F98 PolarHBondContact O-N 3.12Å; F95-L99 HydrophobicContact CD1-CD1 4.07Å; F95-L99 HydrophobicContact CE1-CD1 3.54Å; F95-L99 HydrophobicContact CE1-CG 4.26Å; F95-L99 HydrophobicContact CZ-CD1 4.07Å; F95-L99 HydrophobicContact CZ-CG 4.4Å; F95-L99 PolarHBondContact O-N 3.27Å
96	L	67.3	Low	70.5	Confident	137 Å²	137	117.3 Å²	117.3	72%	0.717	62%	0.621	S	S	*	*	H	α-helix	trans	-66.6	-33.9	176	-77	170.1	0	0	0	111.7	F98 S100	L96-F98 VanDerWaalsContact C-N 3.32Å; L96-S100 PolarHBondContact O-N 3.09Å; L96-S100 PolarHBondContact O-OG 3.08Å
97	T	76.3	Confident	71.9	Confident	86 Å²	86	116.5 Å²	116.5	53%	0.528	61%	0.609	S	S	.	*	H	α-helix	trans	-69.8	-30.7	175.9	-37.5	0	0	0	0	111.7	S93 E94 F95 S100 R101	S93-T97 PolarHBondContact O-OG1 3.11Å; E94-T97 PolarHBondContact O-N 2.91Å; F95-T97 VanDerWaalsContact C-N 3.3Å; F95-T97 PolarHBondContact O-N 2.87Å; T97-S100 WeakPolarHBondContact CA-OG 3.31Å; T97-S100 PolarHBondContact O-OG 2.9Å; T97-R101 PolarHBondContact O-N 3.43Å
98	F	82.8	Confident	73.7	Confident	98 Å²	98	114.8 Å²	114.8	43%	0.43	60%	0.599	S	S	.	*	H	α-helix	trans	-70.3	-47.2	176	-180	-97.7	0	0	0	112.9	E94 F95 L96 S100 R101 K102	E94-F98 PolarHBondContact O-N 3.44Å; F95-F98 PolarHBondContact O-N 3.12Å; L96-F98 VanDerWaalsContact C-N 3.32Å; F98-S100 PolarHBondContact O-N 3.39Å; F98-R101 PolarHBondContact O-N 3.4Å; F98-K102 HydrophobicContact CE1-CG 4.27Å; F98-K102 HydrophobicContact CZ-CG 4.17Å; F98-K102 PolarHBondContact O-N 2.9Å
99	L	76.1	Confident	75.3	Confident	91 Å²	91	114.8 Å²	114.8	48%	0.476	60%	0.599	S	S	.	*	H	α-helix	trans	-65.7	-39.4	-177.8	-75.7	173.3	0	0	0	112.6	F95 R101 K102 K103	F95-L99 HydrophobicContact CD1-CD1 4.07Å; F95-L99 HydrophobicContact CE1-CD1 3.54Å; F95-L99 HydrophobicContact CE1-CG 4.26Å; F95-L99 HydrophobicContact CZ-CD1 4.07Å; F95-L99 HydrophobicContact CZ-CG 4.4Å; F95-L99 PolarHBondContact O-N 3.27Å; L99-R101 VanDerWaalsContact C-N 3.32Å; L99-R101 PolarHBondContact O-N 3.01Å; L99-K102 PolarHBondContact O-N 3.48Å; L99-K103 PolarHBondContact O-N 3.29Å
100	S	81	Confident	77.1	Confident	68 Å²	68	114.4 Å²	114.4	48%	0.476	59%	0.59	S	S	.	*	H	α-helix	trans	-62.4	-38.9	175.6	50.6	0	0	0	0	112.1	L96 T97 F98 L104	L96-S100 PolarHBondContact O-N 3.09Å; L96-S100 PolarHBondContact O-OG 3.08Å; T97-S100 WeakPolarHBondContact CA-OG 3.31Å; T97-S100 PolarHBondContact O-OG 2.9Å; F98-S100 PolarHBondContact O-N 3.39Å; S100-L104 PolarHBondContact O-N 3.13Å
101	R	85.6	Confident	78.9	Confident	145 Å²	145	108.5 Å²	108.5	55%	0.547	57%	0.57	S	S	.	*	H	α-helix	trans	-63.2	-43.4	176.6	-173.4	162.3	66.6	116.9	-8.3	112.8	T97 F98 L99 L104 E105	T97-R101 PolarHBondContact O-N 3.43Å; F98-R101 PolarHBondContact O-N 3.4Å; L99-R101 VanDerWaalsContact C-N 3.32Å; L99-R101 PolarHBondContact O-N 3.01Å; R101-L104 WeakPolarHBondContact O-CB 3.47Å; R101-L104 PolarHBondContact O-N 3.12Å; R101-E105 PolarHBondContact O-N 3.34Å; R101-E105 VanDerWaalsContact O-N 3.14Å
102	K	82.6	Confident	80.7	Confident	95 Å²	95	106.1 Å²	106.1	41%	0.413	55%	0.552	S	S	.	*	H	α-helix	trans	-68.6	-38.4	-179.7	-77.5	-71.9	166.8	-160	0	113.3	F98 L99 L104 E105 C106	F98-K102 HydrophobicContact CE1-CG 4.27Å; F98-K102 HydrophobicContact CZ-CG 4.17Å; F98-K102 PolarHBondContact O-N 2.9Å; L99-K102 PolarHBondContact O-N 3.48Å; K102-L104 PolarHBondContact O-N 2.82Å; K102-E105 IonicContact NZ-OE2 2.73Å; K102-E105 PolarHBondContact NZ-OE2 2.82Å; K102-E105 PolarHBondContact O-N 2.66Å; K102-C106 PolarHBondContact O-N 3.46Å
103	K	86.9	Confident	82.3	Confident	169 Å²	169	104.6 Å²	104.6	74%	0.735	54%	0.541	S	S	*	.	H	α-helix	trans	-58.6	-40.1	172.9	-173.5	177.7	178.3	-179.4	0	111.4	L99 S107	L99-K103 PolarHBondContact O-N 3.29Å; K103-S107 PolarHBondContact O-N 2.99Å; K103-S107 PolarHBondContact O-OG 2.91Å
104	L	86.7	Confident	83.9	Confident	100 Å²	100	106.1 Å²	106.1	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-69	-37	-179.4	-156.8	126.8	0	0	0	112.7	S100 R101 K102 S107 K108	S100-L104 PolarHBondContact O-N 3.13Å; R101-L104 WeakPolarHBondContact O-CB 3.47Å; R101-L104 PolarHBondContact O-N 3.12Å; K102-L104 PolarHBondContact O-N 2.82Å; L104-S107 WeakPolarHBondContact CA-OG 3.49Å; L104-S107 PolarHBondContact O-OG 3.49Å; L104-K108 PolarHBondContact O-N 3.4Å
105	E	89	Confident	85.2	Confident	77 Å²	77	102.7 Å²	102.7	36%	0.36	52%	0.522	S	S	.	.	H	α-helix	trans	-63.8	-47.4	174.2	-75.3	179.2	176.1	0	0	112.1	R101 K102 S107 K108 I109	R101-E105 PolarHBondContact O-N 3.34Å; R101-E105 VanDerWaalsContact O-N 3.14Å; K102-E105 IonicContact NZ-OE2 2.73Å; K102-E105 PolarHBondContact NZ-OE2 2.82Å; K102-E105 PolarHBondContact O-N 2.66Å; E105-S107 VanDerWaalsContact C-N 3.34Å; E105-S107 PolarHBondContact O-N 3.02Å; E105-K108 WeakPolarHBondContact O-CB 3.39Å; E105-K108 PolarHBondContact O-N 3Å; E105-K108 VanDerWaalsContact O-N 3.15Å; E105-I109 PolarHBondContact O-N 3.18Å; E105-I109 VanDerWaalsContact O-N 3.17Å
106	C	87.6	Confident	86.3	Confident	84 Å²	84	100.1 Å²	100.1	57%	0.568	51%	0.514	S	S	*	.	H	α-helix	trans	-63.4	-38.8	179.4	-68.2	0	0	0	0	112.3	K102 K108 I109 L110	K102-C106 PolarHBondContact O-N 3.46Å; C106-K108 VanDerWaalsContact C-N 3.31Å; C106-K108 PolarHBondContact O-N 2.99Å; C106-I109 PolarHBondContact O-N 3.43Å; C106-L110 PolarHBondContact O-N 3.28Å; C106-L110 VanDerWaalsContact O-N 3.11Å
107	S	89.3	Confident	87.5	Confident	68 Å²	68	99 Å²	99	48%	0.476	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-34	175.2	52.6	0	0	0	0	113.1	K103 L104 E105 S111	K103-S107 PolarHBondContact O-N 2.99Å; K103-S107 PolarHBondContact O-OG 2.91Å; L104-S107 WeakPolarHBondContact CA-OG 3.49Å; L104-S107 PolarHBondContact O-OG 3.49Å; E105-S107 VanDerWaalsContact C-N 3.34Å; E105-S107 PolarHBondContact O-N 3.02Å; S107-S111 WeakPolarHBondContact O-CB 3.5Å; S107-S111 PolarHBondContact O-N 3.2Å; S107-S111 VanDerWaalsContact O-N 3.12Å
108	K	89.9	Confident	88.2	Confident	134 Å²	134	97.3 Å²	97.3	58%	0.583	50%	0.5	S	S	*	.	H	α-helix	trans	-66.1	-43.3	175.6	-81.2	-177.8	175.6	-177.3	0	111.7	L104 E105 C106 S111 I112	L104-K108 PolarHBondContact O-N 3.4Å; E105-K108 WeakPolarHBondContact O-CB 3.39Å; E105-K108 PolarHBondContact O-N 3Å; E105-K108 VanDerWaalsContact O-N 3.15Å; C106-K108 VanDerWaalsContact C-N 3.31Å; C106-K108 PolarHBondContact O-N 2.99Å; K108-S111 PolarHBondContact O-N 3.18Å; K108-I112 VanDerWaalsContact O-CG1 3.31Å; K108-I112 WeakPolarHBondContact O-CG1 3.37Å; K108-I112 PolarHBondContact O-N 2.85Å; K108-I112 VanDerWaalsContact O-N 3.11Å
109	I	89.5	Confident	88.6	Confident	112 Å²	112	98.3 Å²	98.3	57%	0.574	50%	0.504	S	S	*	.	H	α-helix	trans	-64.4	-44.4	179.9	-65.4	172.6	0	0	0	110.6	E105 C106 S111 I112 V113	E105-I109 PolarHBondContact O-N 3.18Å; E105-I109 VanDerWaalsContact O-N 3.17Å; C106-I109 PolarHBondContact O-N 3.43Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 2.81Å; I109-I112 PolarHBondContact O-N 3.08Å; I109-I112 VanDerWaalsContact O-N 3.13Å; I109-V113 WeakPolarHBondContact O-CG2 3.32Å; I109-V113 PolarHBondContact O-N 3.38Å; I109-V113 VanDerWaalsContact O-N 3.09Å
110	L	90.1	Very high	89.3	Confident	106 Å²	106	98.8 Å²	98.8	56%	0.555	51%	0.506	S	S	*	.	H	α-helix	trans	-61.2	-43.1	179.9	-133.5	156.1	0	0	0	111.3	C106 I112 V113 E114	C106-L110 PolarHBondContact O-N 3.28Å; C106-L110 VanDerWaalsContact O-N 3.11Å; L110-I112 VanDerWaalsContact C-N 3.34Å; L110-I112 PolarHBondContact O-N 3.06Å; L110-V113 PolarHBondContact O-N 3.33Å; L110-E114 HydrophobicContact CD2-CG 4.38Å; L110-E114 WeakPolarHBondContact CD2-OE1 3.29Å; L110-E114 WeakPolarHBondContact O-CG 3.42Å; L110-E114 PolarHBondContact O-N 3.02Å; L110-E114 VanDerWaalsContact O-N 3.12Å
111	S	90.8	Very high	89.7	Confident	67 Å²	67	98.1 Å²	98.1	47%	0.469	50%	0.502	S	S	.	.	H	α-helix	trans	-57.7	-41.5	172.9	154.4	0	0	0	0	113.2	S107 K108 I109 E115	S107-S111 WeakPolarHBondContact O-CB 3.5Å; S107-S111 PolarHBondContact O-N 3.2Å; S107-S111 VanDerWaalsContact O-N 3.12Å; K108-S111 PolarHBondContact O-N 3.18Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 2.81Å; S111-E115 WeakPolarHBondContact O-CB 3.35Å; S111-E115 PolarHBondContact O-N 3.36Å; S111-E115 VanDerWaalsContact O-N 3.08Å
112	I	93.2	Very high	90	Very high	87 Å²	87	95.6 Å²	95.6	45%	0.446	50%	0.498	S	S	.	.	H	α-helix	trans	-68.7	-39	-179.5	-67.9	163.6	0	0	0	111.1	K108 I109 L110 E115 I116	K108-I112 VanDerWaalsContact O-CG1 3.31Å; K108-I112 WeakPolarHBondContact O-CG1 3.37Å; K108-I112 PolarHBondContact O-N 2.85Å; K108-I112 VanDerWaalsContact O-N 3.11Å; I109-I112 PolarHBondContact O-N 3.08Å; I109-I112 VanDerWaalsContact O-N 3.13Å; L110-I112 VanDerWaalsContact C-N 3.34Å; L110-I112 PolarHBondContact O-N 3.06Å; I112-E115 WeakPolarHBondContact O-CB 3.48Å; I112-E115 PolarHBondContact O-N 2.96Å; I112-I116 HydrophobicContact CG2-CD1 3.98Å; I112-I116 WeakPolarHBondContact O-CG1 3.25Å; I112-I116 PolarHBondContact O-N 3.36Å
113	V	90.6	Very high	90.4	Very high	74 Å²	74	96.5 Å²	96.5	45%	0.448	51%	0.507	S	S	.	.	H	α-helix	trans	-67.4	-42.3	-179.9	174	0	0	0	0	111.2	I109 L110 E115 I116 L117	I109-V113 WeakPolarHBondContact O-CG2 3.32Å; I109-V113 PolarHBondContact O-N 3.38Å; I109-V113 VanDerWaalsContact O-N 3.09Å; L110-V113 PolarHBondContact O-N 3.33Å; V113-E115 VanDerWaalsContact C-N 3.28Å; V113-E115 PolarHBondContact O-N 3.39Å; V113-I116 PolarHBondContact O-N 2.77Å; V113-L117 HydrophobicContact CG1-CD1 4.21Å; V113-L117 PolarHBondContact O-N 3.11Å
114	E	92.9	Very high	90.5	Very high	123 Å²	123	94.7 Å²	94.7	58%	0.575	50%	0.501	S	S	*	.	H	α-helix	trans	-61.8	-37.5	173.4	-70.8	174.7	171.9	0	0	111.6	L110 S118	L110-E114 HydrophobicContact CD2-CG 4.38Å; L110-E114 WeakPolarHBondContact CD2-OE1 3.29Å; L110-E114 WeakPolarHBondContact O-CG 3.42Å; L110-E114 PolarHBondContact O-N 3.02Å; L110-E114 VanDerWaalsContact O-N 3.12Å; E114-S118 WeakPolarHBondContact O-CB 3.33Å; E114-S118 PolarHBondContact O-N 3Å; E114-S118 VanDerWaalsContact O-N 3.08Å; E114-S118 PolarHBondContact O-OG 3.15Å
115	E	92.1	Very high	90.7	Very high	93 Å²	93	95 Å²	95	44%	0.435	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-38.7	174.2	-163.7	-168.9	154.4	0	0	112.4	S111 I112 V113 S118 K119	S111-E115 WeakPolarHBondContact O-CB 3.35Å; S111-E115 PolarHBondContact O-N 3.36Å; S111-E115 VanDerWaalsContact O-N 3.08Å; I112-E115 WeakPolarHBondContact O-CB 3.48Å; I112-E115 PolarHBondContact O-N 2.96Å; V113-E115 VanDerWaalsContact C-N 3.28Å; V113-E115 PolarHBondContact O-N 3.39Å; E115-S118 WeakPolarHBondContact CA-OG 3.43Å; E115-S118 PolarHBondContact O-OG 3.33Å; E115-K119 WeakPolarHBondContact O-CG 3.25Å; E115-K119 PolarHBondContact O-N 3.1Å; E115-K119 VanDerWaalsContact OE1-CE 3.32Å; E115-K119 WeakPolarHBondContact OE1-CE 3.47Å; E115-K119 IonicContact OE1-NZ 3.13Å; E115-K119 PolarHBondContact OE1-NZ 3.03Å
116	I	92	Very high	90.7	Very high	89 Å²	89	95.2 Å²	95.2	46%	0.456	51%	0.507	S	S	.	.	H	α-helix	trans	-71.4	-44.4	179	-67.9	166.9	0	0	0	111.4	I112 V113 S118 K119 L120	I112-I116 HydrophobicContact CG2-CD1 3.98Å; I112-I116 WeakPolarHBondContact O-CG1 3.25Å; I112-I116 PolarHBondContact O-N 3.36Å; V113-I116 PolarHBondContact O-N 2.77Å; I116-S118 VanDerWaalsContact C-N 3.33Å; I116-S118 PolarHBondContact O-N 3.04Å; I116-K119 PolarHBondContact O-N 2.92Å; I116-L120 HydrophobicContact CG2-CD1 4.22Å; I116-L120 PolarHBondContact O-N 3.32Å
117	L	92.3	Very high	90.8	Very high	112 Å²	112	99 Å²	99	59%	0.586	51%	0.51	S	S	*	.	H	α-helix	trans	-63.6	-40.4	179.9	-74.2	172.2	0	0	0	111.8	V113 L120 S121	V113-L117 HydrophobicContact CG1-CD1 4.21Å; V113-L117 PolarHBondContact O-N 3.11Å; L117-L120 PolarHBondContact O-N 3.06Å; L117-S121 PolarHBondContact O-N 2.88Å; L117-S121 VanDerWaalsContact O-N 3.1Å
118	S	91.5	Very high	90.8	Very high	52 Å²	52	100.2 Å²	100.2	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-61.1	-44.6	173.2	57.3	0	0	0	0	111.4	E114 E115 I116 L120 S121 I122	E114-S118 WeakPolarHBondContact O-CB 3.33Å; E114-S118 PolarHBondContact O-N 3Å; E114-S118 VanDerWaalsContact O-N 3.08Å; E114-S118 PolarHBondContact O-OG 3.15Å; E115-S118 WeakPolarHBondContact CA-OG 3.43Å; E115-S118 PolarHBondContact O-OG 3.33Å; I116-S118 VanDerWaalsContact C-N 3.33Å; I116-S118 PolarHBondContact O-N 3.04Å; S118-L120 PolarHBondContact O-N 2.97Å; S118-S121 PolarHBondContact O-N 3.06Å; S118-S121 PolarHBondContact O-OG 3.49Å; S118-I122 WeakPolarHBondContact O-CD1 3.45Å; S118-I122 VanDerWaalsContact O-CG1 3.25Å; S118-I122 WeakPolarHBondContact O-CG1 3.47Å; S118-I122 PolarHBondContact O-N 2.95Å
119	K	91.3	Very high	90.7	Very high	118 Å²	118	96.8 Å²	96.8	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-60.1	-38.9	175.9	-75	176.1	-174.1	170.5	0	113.7	E115 I116 I122 L123	E115-K119 WeakPolarHBondContact O-CG 3.25Å; E115-K119 PolarHBondContact O-N 3.1Å; E115-K119 VanDerWaalsContact OE1-CE 3.32Å; E115-K119 WeakPolarHBondContact OE1-CE 3.47Å; E115-K119 IonicContact OE1-NZ 3.13Å; E115-K119 PolarHBondContact OE1-NZ 3.03Å; I116-K119 PolarHBondContact O-N 2.92Å; K119-I122 PolarHBondContact O-N 3.12Å; K119-L123 PolarHBondContact O-N 3.35Å
120	L	90.5	Very high	90.7	Very high	101 Å²	101	96.5 Å²	96.5	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-67.8	-43.2	177.8	-78.4	167.7	0	0	0	112.3	I116 L117 S118 I122 L123 E124	I116-L120 HydrophobicContact CG2-CD1 4.22Å; I116-L120 PolarHBondContact O-N 3.32Å; L117-L120 PolarHBondContact O-N 3.06Å; S118-L120 PolarHBondContact O-N 2.97Å; L120-I122 VanDerWaalsContact C-N 3.25Å; L120-I122 PolarHBondContact O-N 3.16Å; L120-L123 WeakPolarHBondContact O-CB 3.47Å; L120-L123 PolarHBondContact O-N 3.25Å; L120-L123 VanDerWaalsContact O-N 3.11Å; L120-E124 PolarHBondContact O-N 3.16Å
121	S	90.5	Very high	90.7	Very high	54 Å²	54	93.8 Å²	93.8	38%	0.378	49%	0.492	S	S	.	.	H	α-helix	trans	-62.2	-35.3	174.5	71.9	0	0	0	0	112.4	L117 S118 L123 N125	L117-S121 PolarHBondContact O-N 2.88Å; L117-S121 VanDerWaalsContact O-N 3.1Å; S118-S121 PolarHBondContact O-N 3.06Å; S118-S121 PolarHBondContact O-OG 3.49Å; S121-L123 VanDerWaalsContact C-N 3.34Å; S121-N125 WeakPolarHBondContact O-CB 3.37Å; S121-N125 PolarHBondContact O-N 3.49Å; S121-N125 VanDerWaalsContact O-N 3.15Å; S121-N125 PolarHBondContact O-ND2 3.1Å; S121-N125 VanDerWaalsContact O-ND2 3.16Å
122	I	90.8	Very high	90.6	Very high	93 Å²	93	96.6 Å²	96.6	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-42.6	175.1	-69.8	163.4	0	0	0	109.6	S118 K119 L120 N126	S118-I122 WeakPolarHBondContact O-CD1 3.45Å; S118-I122 VanDerWaalsContact O-CG1 3.25Å; S118-I122 WeakPolarHBondContact O-CG1 3.47Å; S118-I122 PolarHBondContact O-N 2.95Å; K119-I122 PolarHBondContact O-N 3.12Å; L120-I122 VanDerWaalsContact C-N 3.25Å; L120-I122 PolarHBondContact O-N 3.16Å; I122-N126 WeakPolarHBondContact O-CB 3.34Å; I122-N126 PolarHBondContact O-N 3.06Å; I122-N126 PolarHBondContact O-ND2 3.02Å; I122-N126 PolarHBondContact O-OD1 2.87Å
123	L	90.1	Very high	90.2	Very high	114 Å²	114	95.4 Å²	95.4	60%	0.597	50%	0.497	S	S	*	.	H	α-helix	trans	-65	-42.2	179.9	-174.9	63.9	0	0	0	112.9	K119 L120 S121 N126 Y127	K119-L123 PolarHBondContact O-N 3.35Å; L120-L123 WeakPolarHBondContact O-CB 3.47Å; L120-L123 PolarHBondContact O-N 3.25Å; L120-L123 VanDerWaalsContact O-N 3.11Å; S121-L123 VanDerWaalsContact C-N 3.34Å; L123-N126 PolarHBondContact O-N 3.45Å; L123-Y127 PolarHBondContact O-N 3.18Å
124	E	90.8	Very high	90.3	Very high	131 Å²	131	95.6 Å²	95.6	61%	0.612	50%	0.499	S	S	*	.	H	α-helix	trans	-64.6	-47.1	178.7	-175.8	177.3	-169.5	0	0	111.8	L120 N126 Y127 L128	L120-E124 PolarHBondContact O-N 3.16Å; E124-N126 VanDerWaalsContact C-N 3.26Å; E124-N126 PolarHBondContact O-N 2.72Å; E124-Y127 PolarHBondContact O-N 2.89Å; E124-Y127 VanDerWaalsContact O-N 3.12Å; E124-L128 PolarHBondContact O-N 3.26Å
125	N	90.6	Very high	90.1	Very high	105 Å²	105	94.5 Å²	94.5	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-59.5	-40	174.7	-73.4	-30	0	0	0	111.4	S121 S129	S121-N125 WeakPolarHBondContact O-CB 3.37Å; S121-N125 PolarHBondContact O-N 3.49Å; S121-N125 VanDerWaalsContact O-N 3.15Å; S121-N125 PolarHBondContact O-ND2 3.1Å; S121-N125 VanDerWaalsContact O-ND2 3.16Å; N125-S129 VanDerWaalsContact O-CB 3.3Å; N125-S129 WeakPolarHBondContact O-CB 3.37Å; N125-S129 PolarHBondContact O-N 2.93Å
126	N	89.5	Confident	90	Very high	82 Å²	82	95.7 Å²	95.7	44%	0.439	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-41.1	175.6	-71.2	-18.1	0	0	0	111.8	I122 L123 E124 S129 I130	I122-N126 WeakPolarHBondContact O-CB 3.34Å; I122-N126 PolarHBondContact O-N 3.06Å; I122-N126 PolarHBondContact O-ND2 3.02Å; I122-N126 PolarHBondContact O-OD1 2.87Å; L123-N126 PolarHBondContact O-N 3.45Å; E124-N126 VanDerWaalsContact C-N 3.26Å; E124-N126 PolarHBondContact O-N 2.72Å; N126-S129 PolarHBondContact O-N 2.97Å; N126-I130 WeakPolarHBondContact O-CB 3.14Å; N126-I130 WeakPolarHBondContact O-CD1 3.33Å; N126-I130 WeakPolarHBondContact O-CG1 3.46Å; N126-I130 PolarHBondContact O-N 3.47Å
127	Y	88.5	Confident	90	Very high	165 Å²	165	96.6 Å²	96.6	65%	0.647	51%	0.507	S	S	*	.	H	α-helix	trans	-65.2	-45.8	179.4	-178.5	-97.5	0	0	0	112.4	L123 E124 S129 I130 S131	L123-Y127 PolarHBondContact O-N 3.18Å; E124-Y127 PolarHBondContact O-N 2.89Å; E124-Y127 VanDerWaalsContact O-N 3.12Å; Y127-S129 VanDerWaalsContact C-N 3.34Å; Y127-S129 PolarHBondContact O-N 3.35Å; Y127-I130 PolarHBondContact O-N 3.12Å; Y127-S131 PolarHBondContact O-N 3.16Å
128	L	89.3	Confident	89.8	Confident	92 Å²	92	97.1 Å²	97.1	48%	0.482	51%	0.507	S	S	.	.	H	α-helix	trans	-62.8	-43	177.2	-73.1	173.4	0	0	0	111.5	E124 S131 Q132	E124-L128 PolarHBondContact O-N 3.26Å; L128-S131 PolarHBondContact O-N 3.36Å; L128-Q132 WeakPolarHBondContact O-CG 3.3Å; L128-Q132 PolarHBondContact O-N 2.84Å
129	S	88.7	Confident	89.8	Confident	63 Å²	63	101.6 Å²	101.6	44%	0.441	52%	0.522	S	S	.	.	H	α-helix	trans	-60	-46.3	174.1	178.8	0	0	0	0	111.4	N125 N126 Y127 S131 Q132 S133	N125-S129 VanDerWaalsContact O-CB 3.3Å; N125-S129 WeakPolarHBondContact O-CB 3.37Å; N125-S129 PolarHBondContact O-N 2.93Å; N126-S129 PolarHBondContact O-N 2.97Å; Y127-S129 VanDerWaalsContact C-N 3.34Å; Y127-S129 PolarHBondContact O-N 3.35Å; S129-S131 PolarHBondContact O-N 3.11Å; S129-Q132 PolarHBondContact O-N 3.03Å; S129-S133 WeakPolarHBondContact O-CB 3.39Å; S129-S133 PolarHBondContact O-N 2.66Å; S129-S133 PolarHBondContact O-OG 3Å
130	I	88.5	Confident	89.7	Confident	105 Å²	105	101 Å²	101	54%	0.538	52%	0.524	S	S	.	.	H	α-helix	trans	-63.2	-42.1	178.9	-70.1	163	0	0	0	111.1	N126 Y127 T134	N126-I130 WeakPolarHBondContact O-CB 3.14Å; N126-I130 WeakPolarHBondContact O-CD1 3.33Å; N126-I130 WeakPolarHBondContact O-CG1 3.46Å; N126-I130 PolarHBondContact O-N 3.47Å; Y127-I130 PolarHBondContact O-N 3.12Å; I130-T134 VanDerWaalsContact O-CB 3.29Å; I130-T134 WeakPolarHBondContact O-CB 3.41Å; I130-T134 PolarHBondContact O-N 3.45Å; I130-T134 PolarHBondContact O-OG1 3.2Å
131	S	89.4	Confident	89.7	Confident	49 Å²	49	99.1 Å²	99.1	34%	0.343	52%	0.519	S	S	.	.	H	α-helix	trans	-67.2	-42.8	-179.5	-174.5	0	0	0	0	112.4	Y127 L128 S129 T134 N135	Y127-S131 PolarHBondContact O-N 3.16Å; L128-S131 PolarHBondContact O-N 3.36Å; S129-S131 PolarHBondContact O-N 3.11Å; S131-T134 PolarHBondContact O-N 3.36Å; S131-N135 PolarHBondContact O-N 3.45Å; S131-N135 VanDerWaalsContact O-N 3.11Å
132	Q	89.7	Confident	89.7	Confident	127 Å²	127	100.4 Å²	100.4	59%	0.593	52%	0.518	S	S	*	.	H	α-helix	trans	-62.7	-49.9	175.4	-75.2	177	-16.1	0	0	110.3	L128 S129 T134 N135 E136	L128-Q132 WeakPolarHBondContact O-CG 3.3Å; L128-Q132 PolarHBondContact O-N 2.84Å; S129-Q132 PolarHBondContact O-N 3.03Å; Q132-T134 PolarHBondContact O-N 2.95Å; Q132-N135 PolarHBondContact O-N 2.96Å; Q132-E136 WeakPolarHBondContact O-CG 3.29Å; Q132-E136 PolarHBondContact O-N 2.98Å
133	S	85.8	Confident	89.8	Confident	62 Å²	62	101 Å²	101	43%	0.434	52%	0.519	S	S	.	.	H	α-helix	trans	-60.1	-32.8	176.7	-62.8	0	0	0	0	112.9	S129 L137	S129-S133 WeakPolarHBondContact O-CB 3.39Å; S129-S133 PolarHBondContact O-N 2.66Å; S129-S133 PolarHBondContact O-OG 3Å; S133-L137 WeakPolarHBondContact O-CB 3.44Å; S133-L137 PolarHBondContact O-N 2.93Å
134	T	91	Very high	89.9	Confident	77 Å²	77	100.4 Å²	100.4	47%	0.472	52%	0.516	S	S	.	.	H	α-helix	trans	-71.9	-39.5	177.8	-57.6	0	0	0	0	112.3	I130 S131 Q132 L137 H138	I130-T134 VanDerWaalsContact O-CB 3.29Å; I130-T134 WeakPolarHBondContact O-CB 3.41Å; I130-T134 PolarHBondContact O-N 3.45Å; I130-T134 PolarHBondContact O-OG1 3.2Å; S131-T134 PolarHBondContact O-N 3.36Å; Q132-T134 PolarHBondContact O-N 2.95Å; T134-L137 PolarHBondContact O-N 3.08Å; T134-H138 PolarHBondContact O-N 3.41Å
135	N	89.2	Confident	90	Very high	100 Å²	100	98.4 Å²	98.4	54%	0.535	51%	0.509	S	S	.	.	H	α-helix	trans	-72	-43.1	177.6	-75.4	-22.4	0	0	0	111.9	S131 Q132 L137 H138 E139	S131-N135 PolarHBondContact O-N 3.45Å; S131-N135 VanDerWaalsContact O-N 3.11Å; Q132-N135 PolarHBondContact O-N 2.96Å; N135-L137 VanDerWaalsContact C-N 3.27Å; N135-L137 PolarHBondContact O-N 3.48Å; N135-H138 PolarHBondContact O-N 2.98Å; N135-H138 VanDerWaalsContact O-N 3.08Å; N135-E139 PolarHBondContact O-N 3.24Å
136	E	90.6	Very high	90.1	Very high	119 Å²	119	100.8 Å²	100.8	56%	0.556	51%	0.51	S	S	*	.	H	α-helix	trans	-57.3	-43.9	172	-71.9	175	179.6	0	0	110.4	Q132 H138 E139 L140	Q132-E136 WeakPolarHBondContact O-CG 3.29Å; Q132-E136 PolarHBondContact O-N 2.98Å; E136-H138 VanDerWaalsContact C-N 3.33Å; E136-H138 PolarHBondContact O-N 3.45Å; E136-E139 PolarHBondContact O-N 2.94Å; E136-L140 VanDerWaalsContact O-CB 3.3Å; E136-L140 WeakPolarHBondContact O-CB 3.16Å; E136-L140 WeakPolarHBondContact O-CD1 3.26Å; E136-L140 WeakPolarHBondContact O-CG 3.14Å; E136-L140 PolarHBondContact O-N 3.2Å
137	L	90.8	Very high	90.2	Very high	107 Å²	107	101.3 Å²	101.3	56%	0.56	51%	0.51	S	S	*	.	H	α-helix	trans	-60.4	-41.4	174.4	-177.8	67	0	0	0	112	S133 T134 N135 L140 C141	S133-L137 WeakPolarHBondContact O-CB 3.44Å; S133-L137 PolarHBondContact O-N 2.93Å; T134-L137 PolarHBondContact O-N 3.08Å; N135-L137 VanDerWaalsContact C-N 3.27Å; N135-L137 PolarHBondContact O-N 3.48Å; L137-L140 PolarHBondContact O-N 3.42Å; L137-C141 WeakPolarHBondContact O-CB 3.42Å; L137-C141 PolarHBondContact O-N 3.49Å; L137-C141 PolarHBondContact O-SG 2.93Å
138	H	89.2	Confident	90.4	Very high	123 Å²	123	98.9 Å²	98.9	57%	0.569	51%	0.505	S	S	*	.	H	α-helix	trans	-67.4	-44.6	-179.8	-171.2	61.6	0	0	0	112.7	T134 N135 E136 L140 C141 E142	T134-H138 PolarHBondContact O-N 3.41Å; N135-H138 PolarHBondContact O-N 2.98Å; N135-H138 VanDerWaalsContact O-N 3.08Å; E136-H138 VanDerWaalsContact C-N 3.33Å; E136-H138 PolarHBondContact O-N 3.45Å; H138-L140 VanDerWaalsContact C-N 3.32Å; H138-L140 PolarHBondContact O-N 2.85Å; H138-C141 WeakPolarHBondContact O-CB 3.38Å; H138-C141 PolarHBondContact O-N 2.95Å; H138-E142 PolarHBondContact O-N 3.48Å
139	E	90.6	Very high	90.6	Very high	147 Å²	147	98.8 Å²	98.8	69%	0.687	50%	0.504	S	S	*	.	H	α-helix	trans	-62.5	-41	174.6	-73.2	-173.9	173.4	0	0	111.6	N135 E136 C141 E142 H143	N135-E139 PolarHBondContact O-N 3.24Å; E136-E139 PolarHBondContact O-N 2.94Å; E139-C141 VanDerWaalsContact C-N 3.35Å; E139-E142 PolarHBondContact O-N 3.25Å; E139-H143 WeakPolarHBondContact O-CB 3.14Å; E139-H143 PolarHBondContact O-N 3.35Å
140	L	90.5	Very high	90.8	Very high	105 Å²	105	101.1 Å²	101.1	55%	0.55	51%	0.508	S	S	.	.	H	α-helix	trans	-61.3	-42.7	173.2	-72.6	169.6	0	0	0	111.3	E136 L137 H138 H143 L144	E136-L140 VanDerWaalsContact O-CB 3.3Å; E136-L140 WeakPolarHBondContact O-CB 3.16Å; E136-L140 WeakPolarHBondContact O-CD1 3.26Å; E136-L140 WeakPolarHBondContact O-CG 3.14Å; E136-L140 PolarHBondContact O-N 3.2Å; L137-L140 PolarHBondContact O-N 3.42Å; H138-L140 VanDerWaalsContact C-N 3.32Å; H138-L140 PolarHBondContact O-N 2.85Å; L140-H143 PolarHBondContact O-N 2.84Å; L140-L144 VanDerWaalsContact O-CB 3.26Å; L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 WeakPolarHBondContact O-CD1 3.42Å; L140-L144 WeakPolarHBondContact O-CG 3.49Å; L140-L144 PolarHBondContact O-N 3.24Å
141	C	90.3	Very high	90.9	Very high	62 Å²	62	102.3 Å²	102.3	42%	0.419	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-44.1	176	-75.3	0	0	0	0	112.4	L137 H138 E139 L144 L145	L137-C141 WeakPolarHBondContact O-CB 3.42Å; L137-C141 PolarHBondContact O-N 3.49Å; L137-C141 PolarHBondContact O-SG 2.93Å; H138-C141 WeakPolarHBondContact O-CB 3.38Å; H138-C141 PolarHBondContact O-N 2.95Å; E139-C141 VanDerWaalsContact C-N 3.35Å; C141-L144 PolarHBondContact O-N 2.95Å; C141-L145 WeakPolarHBondContact O-CB 3.33Å; C141-L145 PolarHBondContact O-N 3.45Å
142	E	90.4	Very high	91.1	Very high	80 Å²	80	104.5 Å²	104.5	37%	0.374	52%	0.52	S	S	.	.	H	α-helix	trans	-62.2	-44.6	176	-94.6	-73.3	140.1	0	0	112	H138 E139 L145 R146	H138-E142 PolarHBondContact O-N 3.48Å; E139-E142 PolarHBondContact O-N 3.25Å; E142-L145 PolarHBondContact O-N 3.02Å; E142-R146 PolarHBondContact O-N 3.37Å; E142-R146 IonicContact OE2-CZ 2.7Å; E142-R146 IonicContact OE2-NE 2.73Å; E142-R146 IonicContact OE2-NH2 3.98Å; E142-R146 PolarHBondContact OE2-NH2 2.87Å
143	H	92.3	Very high	91.2	Very high	105 Å²	105	104.8 Å²	104.8	49%	0.486	52%	0.521	S	S	.	.	H	α-helix	trans	-62.3	-45	175.4	-178.8	-85.8	0	0	0	111.5	E139 L140 L145 R146 Q147	E139-H143 WeakPolarHBondContact O-CB 3.14Å; E139-H143 PolarHBondContact O-N 3.35Å; L140-H143 PolarHBondContact O-N 2.84Å; H143-L145 VanDerWaalsContact C-N 3.28Å; H143-L145 PolarHBondContact O-N 3.41Å; H143-R146 PolarHBondContact O-N 3.39Å; H143-Q147 PolarHBondContact CE1-NE2 3.37Å; H143-Q147 PolarHBondContact O-N 3.21Å
144	L	91.9	Very high	91.5	Very high	102 Å²	102	109.2 Å²	109.2	53%	0.534	53%	0.53	S	S	.	.	H	α-helix	trans	-60.5	-37.4	175.3	-76.1	166.5	0	0	0	111.8	L140 C141 Q148	L140-L144 VanDerWaalsContact O-CB 3.26Å; L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 WeakPolarHBondContact O-CD1 3.42Å; L140-L144 WeakPolarHBondContact O-CG 3.49Å; L140-L144 PolarHBondContact O-N 3.24Å; C141-L144 PolarHBondContact O-N 2.95Å; L144-Q148 VanDerWaalsContact O-CB 3.26Å; L144-Q148 WeakPolarHBondContact O-CB 3.49Å; L144-Q148 PolarHBondContact O-N 3.03Å
145	L	92.8	Very high	91.5	Very high	89 Å²	89	108.1 Å²	108.1	47%	0.466	53%	0.529	S	S	.	.	H	α-helix	trans	-72.2	-36.4	-179.3	-150.9	146.2	0	0	0	111.9	C141 E142 H143 Q148 N149	C141-L145 WeakPolarHBondContact O-CB 3.33Å; C141-L145 PolarHBondContact O-N 3.45Å; E142-L145 PolarHBondContact O-N 3.02Å; H143-L145 VanDerWaalsContact C-N 3.28Å; H143-L145 PolarHBondContact O-N 3.41Å; L145-Q148 PolarHBondContact O-N 3.35Å; L145-N149 PolarHBondContact O-N 3.01Å; L145-N149 PolarHBondContact O-ND2 3.37Å
146	R	92.2	Very high	91.5	Very high	156 Å²	156	106.1 Å²	106.1	59%	0.589	52%	0.522	S	S	*	.	H	α-helix	trans	-65.5	-48.3	171.6	-71.1	-178.5	-163.1	148.5	15.4	112.1	E142 H143 Q148 N149 E150	E142-R146 PolarHBondContact O-N 3.37Å; E142-R146 IonicContact OE2-CZ 2.7Å; E142-R146 IonicContact OE2-NE 2.73Å; E142-R146 IonicContact OE2-NH2 3.98Å; E142-R146 PolarHBondContact OE2-NH2 2.87Å; H143-R146 PolarHBondContact O-N 3.39Å; R146-Q148 VanDerWaalsContact C-N 3.25Å; R146-Q148 PolarHBondContact O-N 2.83Å; R146-N149 PolarHBondContact O-N 3.39Å; R146-N149 VanDerWaalsContact O-N 3.13Å; R146-E150 PolarHBondContact O-N 2.89Å
147	Q	93.4	Very high	91.4	Very high	92 Å²	92	103 Å²	103	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-59.9	-39.2	174.9	-73.9	-167.6	-33.2	0	0	111.4	H143 N149 E150 M151	H143-Q147 PolarHBondContact CE1-NE2 3.37Å; H143-Q147 PolarHBondContact O-N 3.21Å; Q147-N149 VanDerWaalsContact C-N 3.35Å; Q147-N149 PolarHBondContact O-N 2.96Å; Q147-E150 PolarHBondContact O-N 3.2Å; Q147-M151 VanDerWaalsContact O-CB 3.28Å; Q147-M151 WeakPolarHBondContact O-CB 3.48Å; Q147-M151 WeakPolarHBondContact O-CG 3.2Å; Q147-M151 PolarHBondContact O-N 3.13Å
148	Q	92.2	Very high	91.1	Very high	115 Å²	115	102.8 Å²	102.8	54%	0.537	51%	0.512	S	S	.	.	H	α-helix	trans	-59.6	-45.3	175.1	-176.3	178.6	20.8	0	0	111.4	L144 L145 R146 M151 I152	L144-Q148 VanDerWaalsContact O-CB 3.26Å; L144-Q148 WeakPolarHBondContact O-CB 3.49Å; L144-Q148 PolarHBondContact O-N 3.03Å; L145-Q148 PolarHBondContact O-N 3.35Å; R146-Q148 VanDerWaalsContact C-N 3.25Å; R146-Q148 PolarHBondContact O-N 2.83Å; Q148-M151 PolarHBondContact O-N 3.46Å; Q148-I152 HydrophobicContact CG-CD1 3.88Å; Q148-I152 WeakPolarHBondContact O-CB 3.26Å; Q148-I152 WeakPolarHBondContact O-CD1 3.09Å; Q148-I152 WeakPolarHBondContact O-CG1 3.07Å; Q148-I152 PolarHBondContact O-N 2.9Å
149	N	93.1	Very high	91.1	Very high	89 Å²	89	103.2 Å²	103.2	48%	0.476	51%	0.514	S	S	.	.	H	α-helix	trans	-66.1	-44	179.1	-71	-25.1	0	0	0	112.6	L145 R146 Q147 M151 I152 E153	L145-N149 PolarHBondContact O-N 3.01Å; L145-N149 PolarHBondContact O-ND2 3.37Å; R146-N149 PolarHBondContact O-N 3.39Å; R146-N149 VanDerWaalsContact O-N 3.13Å; Q147-N149 VanDerWaalsContact C-N 3.35Å; Q147-N149 PolarHBondContact O-N 2.96Å; N149-M151 VanDerWaalsContact C-N 3.32Å; N149-M151 PolarHBondContact O-N 3.46Å; N149-I152 PolarHBondContact O-N 3.33Å; N149-E153 PolarHBondContact O-N 2.9Å
150	E	93.1	Very high	90.8	Very high	112 Å²	112	103.1 Å²	103.1	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-59.6	-44.7	174.4	-72.5	177.5	177.8	0	0	110.9	R146 Q147 I152 E153 Y154	R146-E150 PolarHBondContact O-N 2.89Å; Q147-E150 PolarHBondContact O-N 3.2Å; E150-I152 VanDerWaalsContact C-N 3.29Å; E150-I152 PolarHBondContact O-N 2.85Å; E150-E153 PolarHBondContact O-N 2.92Å; E150-Y154 WeakPolarHBondContact O-CD2 3.28Å; E150-Y154 PolarHBondContact O-N 3.45Å
151	M	90.4	Very high	90.4	Very high	131 Å²	131	100.3 Å²	100.3	65%	0.645	50%	0.502	S	S	*	.	H	α-helix	trans	-65.8	-32.4	177.9	-67.6	-67.2	-85.2	0	0	112.2	Q147 Q148 N149 A155	Q147-M151 VanDerWaalsContact O-CB 3.28Å; Q147-M151 WeakPolarHBondContact O-CB 3.48Å; Q147-M151 WeakPolarHBondContact O-CG 3.2Å; Q147-M151 PolarHBondContact O-N 3.13Å; Q148-M151 PolarHBondContact O-N 3.46Å; N149-M151 VanDerWaalsContact C-N 3.32Å; N149-M151 PolarHBondContact O-N 3.46Å; M151-A155 WeakPolarHBondContact O-CB 3.49Å; M151-A155 PolarHBondContact O-N 2.96Å
152	I	93.3	Very high	90.1	Very high	95 Å²	95	101.6 Å²	101.6	49%	0.487	51%	0.505	S	S	.	.	H	α-helix	trans	-67.8	-42.2	172.8	-71.7	164.3	0	0	0	110.9	Q148 N149 E150 A155 S156	Q148-I152 HydrophobicContact CG-CD1 3.88Å; Q148-I152 WeakPolarHBondContact O-CB 3.26Å; Q148-I152 WeakPolarHBondContact O-CD1 3.09Å; Q148-I152 WeakPolarHBondContact O-CG1 3.07Å; Q148-I152 PolarHBondContact O-N 2.9Å; N149-I152 PolarHBondContact O-N 3.33Å; E150-I152 VanDerWaalsContact C-N 3.29Å; E150-I152 PolarHBondContact O-N 2.85Å; I152-A155 WeakPolarHBondContact O-CB 3.21Å; I152-A155 PolarHBondContact O-N 3.24Å; I152-S156 PolarHBondContact O-N 3.4Å; I152-S156 PolarHBondContact O-OG 3.19Å
153	E	92.6	Very high	90	Very high	133 Å²	133	100.4 Å²	100.4	62%	0.621	50%	0.503	S	S	*	.	H	α-helix	trans	-66.7	-40.2	178.1	-171.1	179.8	177.9	0	0	112.2	N149 E150 S156 S157	N149-E153 PolarHBondContact O-N 2.9Å; E150-E153 PolarHBondContact O-N 2.92Å; E153-S156 WeakPolarHBondContact CA-OG 3.48Å; E153-S156 PolarHBondContact O-N 3.45Å; E153-S156 PolarHBondContact O-OG 3.36Å; E153-S157 WeakPolarHBondContact O-CB 3.25Å; E153-S157 PolarHBondContact O-N 2.87Å; E153-S157 PolarHBondContact O-OG 3.49Å
154	Y	91.9	Very high	89.7	Confident	155 Å²	155	96.6 Å²	96.6	61%	0.608	49%	0.486	S	S	*	.	H	α-helix	trans	-64.3	-42.2	170.9	-76.2	-59.7	0	0	0	111.6	E150 S156 S157 I158	E150-Y154 WeakPolarHBondContact O-CD2 3.28Å; E150-Y154 PolarHBondContact O-N 3.45Å; Y154-S156 PolarHBondContact O-N 3.49Å; Y154-S157 PolarHBondContact O-N 2.95Å; Y154-I158 WeakPolarHBondContact O-CB 3.23Å; Y154-I158 VanDerWaalsContact O-CG1 3.25Å; Y154-I158 WeakPolarHBondContact O-CG1 3.44Å; Y154-I158 PolarHBondContact O-N 3.01Å
155	A	90.7	Very high	89.5	Confident	54 Å²	54	93.1 Å²	93.1	45%	0.446	47%	0.467	S	S	.	.	H	α-helix	trans	-61.6	-42.8	176.5	0	0	0	0	0	111.7	M151 I152 I158 E159	M151-A155 WeakPolarHBondContact O-CB 3.49Å; M151-A155 PolarHBondContact O-N 2.96Å; I152-A155 WeakPolarHBondContact O-CB 3.21Å; I152-A155 PolarHBondContact O-N 3.24Å; A155-I158 PolarHBondContact O-N 3.35Å; A155-E159 WeakPolarHBondContact O-CB 3.38Å; A155-E159 PolarHBondContact O-N 2.87Å
156	S	90.1	Very high	89.3	Confident	57 Å²	57	92.8 Å²	92.8	40%	0.399	47%	0.468	S	S	.	.	H	α-helix	trans	-66.4	-38.8	177.5	58.9	0	0	0	0	112.4	I152 E153 Y154 E159 E160	I152-S156 PolarHBondContact O-N 3.4Å; I152-S156 PolarHBondContact O-OG 3.19Å; E153-S156 WeakPolarHBondContact CA-OG 3.48Å; E153-S156 PolarHBondContact O-N 3.45Å; E153-S156 PolarHBondContact O-OG 3.36Å; Y154-S156 PolarHBondContact O-N 3.49Å; S156-E159 PolarHBondContact O-N 2.85Å; S156-E160 PolarHBondContact O-N 3.18Å
157	S	87.1	Confident	89.1	Confident	55 Å²	55	87.5 Å²	87.5	39%	0.385	45%	0.45	S	S	.	.	H	α-helix	trans	-65.7	-40	176.6	-57.5	0	0	0	0	111.7	E153 Y154 C161	E153-S157 WeakPolarHBondContact O-CB 3.25Å; E153-S157 PolarHBondContact O-N 2.87Å; E153-S157 PolarHBondContact O-OG 3.49Å; Y154-S157 PolarHBondContact O-N 2.95Å; S157-C161 PolarHBondContact O-N 3.45Å; S157-C161 VanDerWaalsContact O-N 3.07Å; S157-C161 PolarHBondContact O-SG 2.89Å
158	I	85.7	Confident	88.9	Confident	101 Å²	101	83.1 Å²	83.1	52%	0.518	43%	0.43	S	S	.	.	H	α-helix	trans	-66.1	-42.3	173.9	-68.9	166.9	0	0	0	110.3	Y154 A155 C161 L162	Y154-I158 WeakPolarHBondContact O-CB 3.23Å; Y154-I158 VanDerWaalsContact O-CG1 3.25Å; Y154-I158 WeakPolarHBondContact O-CG1 3.44Å; Y154-I158 PolarHBondContact O-N 3.01Å; A155-I158 PolarHBondContact O-N 3.35Å; I158-C161 PolarHBondContact O-N 2.85Å; I158-L162 HydrophobicContact CG2-CD1 3.61Å; I158-L162 HydrophobicContact CG2-CG 4.07Å; I158-L162 VanDerWaalsContact O-CB 3.31Å; I158-L162 WeakPolarHBondContact O-CB 3.31Å; I158-L162 VanDerWaalsContact O-CG 3.23Å; I158-L162 WeakPolarHBondContact O-CG 3.47Å; I158-L162 PolarHBondContact O-N 3.31Å
159	E	87.6	Confident	88.7	Confident	133 Å²	133	80.5 Å²	80.5	62%	0.621	42%	0.419	S	S	*	.	H	α-helix	trans	-62	-43.8	177.6	-172.1	174.6	-174.2	0	0	111.6	A155 S156 C161 L162 T163	A155-E159 WeakPolarHBondContact O-CB 3.38Å; A155-E159 PolarHBondContact O-N 2.87Å; S156-E159 PolarHBondContact O-N 2.85Å; E159-C161 PolarHBondContact O-N 3.28Å; E159-L162 PolarHBondContact O-N 2.83Å; E159-T163 WeakPolarHBondContact O-CB 3.42Å; E159-T163 PolarHBondContact O-N 3.31Å; E159-T163 PolarHBondContact O-OG1 3.48Å
160	E	84.3	Confident	88.5	Confident	145 Å²	145	82.3 Å²	82.3	68%	0.678	43%	0.427	S	S	*	.	H	α-helix	trans	-60.4	-45.8	174.8	-173.8	175.7	-168.7	0	0	111.4	S156 L162 T163	S156-E160 PolarHBondContact O-N 3.18Å; E160-L162 PolarHBondContact O-N 2.66Å; E160-T163 WeakPolarHBondContact O-CB 3.37Å; E160-T163 PolarHBondContact O-N 2.93Å
161	C	82	Confident	88.2	Confident	45 Å²	45	77.2 Å²	77.2	30%	0.304	40%	0.403	S	S	.	.	H	α-helix	trans	-61	-46.3	175.8	-70.2	0	0	0	0	112	S157 I158 E159 T163 F165 Y200	S157-C161 PolarHBondContact O-N 3.45Å; S157-C161 VanDerWaalsContact O-N 3.07Å; S157-C161 PolarHBondContact O-SG 2.89Å; I158-C161 PolarHBondContact O-N 2.85Å; E159-C161 PolarHBondContact O-N 3.28Å; C161-T163 VanDerWaalsContact C-N 3.3Å; C161-T163 PolarHBondContact O-N 3.46Å; C161-F165 WeakPolarHBondContact O-CD2 3.3Å; C161-Y200 WeakPolarHBondContact CA-OH 3.14Å; C161-Y200 WeakPolarHBondContact CB-OH 3.48Å; C161-Y200 PolarHBondContact SG-OH 3.02Å; C161-Y200 VanDerWaalsContact SG-OH 3.39Å
162	L	85.6	Confident	88	Confident	90 Å²	90	74.6 Å²	74.6	47%	0.471	39%	0.389	S	S	.	.	H	α-helix	trans	-69.6	-28	-178.2	-74.1	176.8	0	0	0	112.6	I158 E159 E160 N164 F165 V166	I158-L162 HydrophobicContact CG2-CD1 3.61Å; I158-L162 HydrophobicContact CG2-CG 4.07Å; I158-L162 VanDerWaalsContact O-CB 3.31Å; I158-L162 WeakPolarHBondContact O-CB 3.31Å; I158-L162 VanDerWaalsContact O-CG 3.23Å; I158-L162 WeakPolarHBondContact O-CG 3.47Å; I158-L162 PolarHBondContact O-N 3.31Å; E159-L162 PolarHBondContact O-N 2.83Å; E160-L162 PolarHBondContact O-N 2.66Å; L162-N164 VanDerWaalsContact C-N 3.26Å; L162-N164 PolarHBondContact O-N 3Å; L162-F165 PolarHBondContact O-N 3.26Å; L162-V166 WeakPolarHBondContact O-CG2 3.31Å; L162-V166 PolarHBondContact O-N 3.39Å
163	T	87.9	Confident	87.7	Confident	54 Å²	54	73.4 Å²	73.4	33%	0.331	39%	0.394	S	S	.	.	H	α-helix	trans	-54.7	-43.1	-179.3	-67.3	0	0	0	0	111.2	E159 E160 C161 F165 V166 Q167	E159-T163 WeakPolarHBondContact O-CB 3.42Å; E159-T163 PolarHBondContact O-N 3.31Å; E159-T163 PolarHBondContact O-OG1 3.48Å; E160-T163 WeakPolarHBondContact O-CB 3.37Å; E160-T163 PolarHBondContact O-N 2.93Å; C161-T163 VanDerWaalsContact C-N 3.3Å; C161-T163 PolarHBondContact O-N 3.46Å; T163-F165 PolarHBondContact O-N 3.47Å; T163-V166 PolarHBondContact O-N 3.07Å; T163-Q167 HydrophobicContact CG2-CG 4.24Å; T163-Q167 VanDerWaalsContact O-CB 3.3Å; T163-Q167 WeakPolarHBondContact O-CB 3.46Å; T163-Q167 WeakPolarHBondContact O-CG 3.22Å; T163-Q167 PolarHBondContact O-N 3.36Å
164	N	85.3	Confident	87.3	Confident	26 Å²	26	71.6 Å²	71.6	14%	0.139	39%	0.385	C	S	.	.	H	α-helix	trans	-65.6	-36.4	177.6	-67.2	-39.3	0	0	0	112.5	L162 V168 Y200 F201	L162-N164 VanDerWaalsContact C-N 3.26Å; L162-N164 PolarHBondContact O-N 3Å; N164-V168 VanDerWaalsContact O-CG2 3.3Å; N164-V168 WeakPolarHBondContact O-CG2 3.43Å; N164-V168 PolarHBondContact O-N 3.39Å; N164-Y200 HydrophobicContact CB-CD1 3.74Å; N164-Y200 HydrophobicContact CB-CE1 4.1Å; N164-Y200 HydrophobicContact CB-CG 4.23Å; N164-Y200 WeakPolarHBondContact ND2-CD1 3.39Å; N164-Y200 WeakPolarHBondContact ND2-CD2 3.45Å; N164-F201 HydrophobicContact CB-CZ 4.4Å
165	F	87.2	Confident	86.9	Confident	29 Å²	29	64.2 Å²	64.2	13%	0.127	36%	0.356	C	S	.	.	H	α-helix	trans	-68.9	-46.9	176.5	-66.7	-89.6	0	0	0	111.8	C161 L162 T163 Q167 V168 D169 Y200 F201 Y213	C161-F165 WeakPolarHBondContact O-CD2 3.3Å; L162-F165 PolarHBondContact O-N 3.26Å; T163-F165 PolarHBondContact O-N 3.47Å; F165-Q167 VanDerWaalsContact C-N 3.35Å; F165-Q167 PolarHBondContact O-N 3.09Å; F165-V168 PolarHBondContact O-N 2.68Å; F165-D169 PolarHBondContact O-N 3.49Å; F165-Y200 HydrophobicContact CE2-CE1 4.19Å; F165-F201 AromaticContact CD1-CE1 3.73Å; F165-F201 HydrophobicContact CD1-CE1 3.73Å; F165-F201 AromaticContact CD1-CZ 3.86Å; F165-F201 HydrophobicContact CD1-CZ 3.86Å; F165-F201 HydrophobicContact CD2-CE1 4.24Å; F165-F201 HydrophobicContact CE1-CD1 4.32Å; F165-F201 AromaticContact CE1-CE1 3.39Å; F165-F201 HydrophobicContact CE1-CE1 3.39Å; F165-F201 HydrophobicContact CE1-CZ 4.01Å; F165-F201 AromaticContact CE2-CE1 3.94Å; F165-F201 HydrophobicContact CE2-CE1 3.94Å; F165-F201 HydrophobicContact CG-CE1 4.16Å; F165-F201 HydrophobicContact CG-CZ 4.15Å; F165-F201 HydrophobicContact CZ-CD1 4.32Å; F165-F201 AromaticContact CZ-CE1 3.52Å; F165-F201 HydrophobicContact CZ-CE1 3.52Å; F165-F201 HydrophobicContact CZ-CZ 4.42Å; F165-Y213 HydrophobicContact CB-CE1 4.25Å; F165-Y213 AromaticContact CD1-CD1 3.86Å; F165-Y213 HydrophobicContact CD1-CD1 3.86Å; F165-Y213 AromaticContact CD1-CD2 3.51Å; F165-Y213 HydrophobicContact CD1-CD2 3.51Å; F165-Y213 HydrophobicContact CD1-CE1 4.01Å; F165-Y213 AromaticContact CD1-CE2 3.66Å; F165-Y213 HydrophobicContact CD1-CE2 3.66Å; F165-Y213 AromaticContact CD1-CG 3.6Å; F165-Y213 HydrophobicContact CD1-CG 3.6Å; F165-Y213 AromaticContact CD1-CZ 3.9Å; F165-Y213 AromaticContact CE1-CD2 3.73Å; F165-Y213 HydrophobicContact CE1-CD2 3.73Å; F165-Y213 HydrophobicContact CE1-CE2 4.17Å; F165-Y213 HydrophobicContact CE1-CG 4.01Å
166	V	89.4	Confident	86.4	Confident	82 Å²	82	64.7 Å²	64.7	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-41.4	179.9	175.7	0	0	0	0	111	L162 T163 V168 D169 M170	L162-V166 WeakPolarHBondContact O-CG2 3.31Å; L162-V166 PolarHBondContact O-N 3.39Å; T163-V166 PolarHBondContact O-N 3.07Å; V166-V168 VanDerWaalsContact C-N 3.29Å; V166-V168 PolarHBondContact O-N 3.43Å; V166-D169 PolarHBondContact O-N 2.98Å; V166-M170 HydrophobicContact CG1-CG 4.2Å; V166-M170 HydrophobicContact CG1-SD 3.98Å; V166-M170 WeakPolarHBondContact O-CG 3.3Å; V166-M170 PolarHBondContact O-N 3.47Å
167	Q	88.1	Confident	85.9	Confident	44 Å²	44	65.9 Å²	65.9	21%	0.206	37%	0.371	C	S	.	.	H	α-helix	trans	-58.5	-40.1	179	-79.2	180	21	0	0	112.5	T163 F165 M170 I171	T163-Q167 HydrophobicContact CG2-CG 4.24Å; T163-Q167 VanDerWaalsContact O-CB 3.3Å; T163-Q167 WeakPolarHBondContact O-CB 3.46Å; T163-Q167 WeakPolarHBondContact O-CG 3.22Å; T163-Q167 PolarHBondContact O-N 3.36Å; F165-Q167 VanDerWaalsContact C-N 3.35Å; F165-Q167 PolarHBondContact O-N 3.09Å; Q167-M170 PolarHBondContact O-N 3.33Å; Q167-I171 WeakPolarHBondContact O-CB 3.32Å; Q167-I171 WeakPolarHBondContact O-CD1 3.23Å; Q167-I171 WeakPolarHBondContact O-CG1 3.31Å; Q167-I171 PolarHBondContact O-N 3.32Å
168	V	88.6	Confident	84.6	Confident	0 Å²	0	68 Å²	68	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-65.9	-45.3	-179.5	174.3	0	0	0	0	111.5	N164 F165 V166 M170 I171 Q172 F201 Y213 K216 V217	N164-V168 VanDerWaalsContact O-CG2 3.3Å; N164-V168 WeakPolarHBondContact O-CG2 3.43Å; N164-V168 PolarHBondContact O-N 3.39Å; F165-V168 PolarHBondContact O-N 2.68Å; V166-V168 VanDerWaalsContact C-N 3.29Å; V166-V168 PolarHBondContact O-N 3.43Å; V168-M170 VanDerWaalsContact C-N 3.33Å; V168-M170 PolarHBondContact O-N 2.94Å; V168-I171 PolarHBondContact O-N 3.49Å; V168-Q172 WeakPolarHBondContact O-CB 3.37Å; V168-Q172 PolarHBondContact O-N 3.29Å; V168-F201 HydrophobicContact CG2-CE2 4.05Å; V168-Y213 HydrophobicContact CB-CD1 4.46Å; V168-Y213 HydrophobicContact CG1-CD1 4.38Å; V168-K216 HydrophobicContact CG1-CB 4.14Å; V168-V217 HydrophobicContact CB-CG2 4.18Å; V168-V217 HydrophobicContact CG1-CG2 3.7Å; V168-V217 HydrophobicContact CG2-CG2 3.34Å
169	D	88.6	Confident	83.9	Confident	60 Å²	60	69.5 Å²	69.5	32%	0.321	40%	0.395	S	S	.	.	H	α-helix	trans	-66.1	-37.8	177.8	-69.9	-35.9	0	0	0	111.3	F165 V166 Q172 A173 Y213 K216	F165-D169 PolarHBondContact O-N 3.49Å; V166-D169 PolarHBondContact O-N 2.98Å; D169-Q172 PolarHBondContact O-N 3.41Å; D169-A173 WeakPolarHBondContact O-CB 3.14Å; D169-A173 PolarHBondContact O-N 3.08Å; D169-Y213 PolarHBondContact OD2-OH 3.35Å; D169-K216 IonicContact OD1-NZ 3.95Å; D169-K216 PolarHBondContact OD1-NZ 3.34Å
170	M	88.4	Confident	83.2	Confident	128 Å²	128	64.4 Å²	64.4	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-62.6	-44.6	173.8	-71.6	-175.4	75.6	0	0	112.3	V166 Q167 V168 A173 E174	V166-M170 HydrophobicContact CG1-CG 4.2Å; V166-M170 HydrophobicContact CG1-SD 3.98Å; V166-M170 WeakPolarHBondContact O-CG 3.3Å; V166-M170 PolarHBondContact O-N 3.47Å; Q167-M170 PolarHBondContact O-N 3.33Å; V168-M170 VanDerWaalsContact C-N 3.33Å; V168-M170 PolarHBondContact O-N 2.94Å; M170-A173 PolarHBondContact O-N 3.44Å; M170-E174 PolarHBondContact O-N 3.15Å
171	I	87.3	Confident	82.8	Confident	4 Å²	4	63 Å²	63	2%	0.021	37%	0.367	C	S	.	.	H	α-helix	trans	-67.4	-41	178.9	-71.1	164.5	0	0	0	110.8	Q167 V168 A173 E174 L175 I190 K193 L194	Q167-I171 WeakPolarHBondContact O-CB 3.32Å; Q167-I171 WeakPolarHBondContact O-CD1 3.23Å; Q167-I171 WeakPolarHBondContact O-CG1 3.31Å; Q167-I171 PolarHBondContact O-N 3.32Å; V168-I171 PolarHBondContact O-N 3.49Å; I171-A173 VanDerWaalsContact C-N 3.28Å; I171-A173 PolarHBondContact O-N 2.99Å; I171-E174 PolarHBondContact O-N 3.31Å; I171-L175 HydrophobicContact CG2-CD1 3.65Å; I171-L175 HydrophobicContact CG2-CG 4.17Å; I171-L175 WeakPolarHBondContact O-CB 3.45Å; I171-L175 WeakPolarHBondContact O-CG 3.3Å; I171-L175 PolarHBondContact O-N 3.48Å; I171-I190 HydrophobicContact CG2-CG2 3.7Å; I171-K193 HydrophobicContact CD1-CB 3.48Å; I171-K193 VanDerWaalsContact CD1-CB 3.48Å; I171-K193 HydrophobicContact CD1-CD 4.03Å; I171-K193 HydrophobicContact CD1-CG 4.43Å; I171-L194 HydrophobicContact CB-CD2 4.48Å; I171-L194 HydrophobicContact CD1-CD2 4.15Å; I171-L194 HydrophobicContact CD1-CG 4.13Å; I171-L194 HydrophobicContact CG2-CD1 4.1Å; I171-L194 HydrophobicContact CG2-CD2 3.86Å; I171-L194 HydrophobicContact CG2-CG 4.03Å
172	Q	86.3	Confident	82.6	Confident	76 Å²	76	62.4 Å²	62.4	36%	0.355	36%	0.361	S	S	.	.	H	α-helix	trans	-61.6	-39.8	176.4	-171.3	177.6	-5.2	0	0	111.1	V168 D169 G176	V168-Q172 WeakPolarHBondContact O-CB 3.37Å; V168-Q172 PolarHBondContact O-N 3.29Å; D169-Q172 PolarHBondContact O-N 3.41Å; Q172-G176 PolarHBondContact O-N 3.19Å
173	A	86	Confident	82.3	Confident	71 Å²	71	59.8 Å²	59.8	59%	0.587	35%	0.35	S	S	*	.	H	α-helix	trans	-66.3	-40.6	173.9	0	0	0	0	0	112.4	D169 M170 I171 G176	D169-A173 WeakPolarHBondContact O-CB 3.14Å; D169-A173 PolarHBondContact O-N 3.08Å; M170-A173 PolarHBondContact O-N 3.44Å; I171-A173 VanDerWaalsContact C-N 3.28Å; I171-A173 PolarHBondContact O-N 2.99Å; A173-G176 PolarHBondContact O-N 3.36Å
174	E	85.1	Confident	82.1	Confident	94 Å²	94	62.7 Å²	62.7	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-66.6	-40.7	177.9	-168.6	176.9	176.8	0	0	112.3	M170 I171 G176 V177	M170-E174 PolarHBondContact O-N 3.15Å; I171-E174 PolarHBondContact O-N 3.31Å; E174-G176 VanDerWaalsContact C-N 3.33Å; E174-V177 WeakPolarHBondContact O-CG2 3.32Å
175	L	83.2	Confident	82	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-73.6	-22.8	176.5	-69.8	171.6	0	0	0	113.1	I171 V177 S220 I223 A224 Y227	I171-L175 HydrophobicContact CG2-CD1 3.65Å; I171-L175 HydrophobicContact CG2-CG 4.17Å; I171-L175 WeakPolarHBondContact O-CB 3.45Å; I171-L175 WeakPolarHBondContact O-CG 3.3Å; I171-L175 PolarHBondContact O-N 3.48Å; L175-V177 PolarHBondContact O-N 3.21Å; L175-S220 WeakPolarHBondContact CD1-O 3.45Å; L175-I223 HydrophobicContact CB-CG2 4.14Å; L175-A224 HydrophobicContact CD1-CB 4.04Å; L175-A224 HydrophobicContact CD2-CB 4.08Å; L175-Y227 HydrophobicContact CD2-CD2 4.31Å; L175-Y227 HydrophobicContact CD2-CE2 4.45Å; L175-Y227 PolarHBondContact O-OH 2.97Å
176	G	80.1	Confident	81.9	Confident	63 Å²	63	72.7 Å²	72.7	65%	0.649	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.3	176.7	0	0	0	0	0	114.4	Q172 A173 E174 S178	Q172-G176 PolarHBondContact O-N 3.19Å; A173-G176 PolarHBondContact O-N 3.36Å; E174-G176 VanDerWaalsContact C-N 3.33Å; G176-S178 PolarHBondContact O-N 2.96Å
177	V	79	Confident	81.9	Confident	82 Å²	82	68.8 Å²	68.8	50%	0.497	38%	0.377	S	S	.	.	S	Bend	trans	-74.5	120.7	178.8	-175	0	0	0	0	109.8	E174 L175 N179 F180	E174-V177 WeakPolarHBondContact O-CG2 3.32Å; L175-V177 PolarHBondContact O-N 3.21Å; V177-N179 PolarHBondContact O-N 3.37Å; V177-F180 PolarHBondContact O-N 2.68Å
178	S	61	Low	82	Confident	100 Å²	100	69.6 Å²	69.6	70%	0.699	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-26	-172	66.1	0	0	0	0	115.3	G176	G176-S178 PolarHBondContact O-N 2.96Å
179	N	70.7	Confident	82	Confident	133 Å²	133	72.2 Å²	72.2	71%	0.711	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	38.1	-172.7	-62.8	-2.2	0	0	0	112.5	V177 I181	V177-N179 PolarHBondContact O-N 3.37Å; N179-I181 PolarHBondContact O-N 3.03Å; N179-I181 VanDerWaalsContact O-N 3.13Å
180	F	73.4	Confident	82.1	Confident	26 Å²	26	69.7 Å²	69.7	11%	0.114	39%	0.385	C	S	.	.			trans	-60.8	116.3	-179.6	-174	-96	0	0	0	111.7	V177 V182 K186 L187 I190 Y227	V177-F180 PolarHBondContact O-N 2.68Å; F180-V182 HydrophobicContact CD1-CG2 4.07Å; F180-V182 HydrophobicContact CE1-CG2 4.47Å; F180-V182 PolarHBondContact O-N 3.46Å; F180-K186 HydrophobicContact CZ-CB 4.28Å; F180-L187 HydrophobicContact CE1-CD2 3.8Å; F180-L187 HydrophobicContact CE1-CG 4.24Å; F180-L187 HydrophobicContact CZ-CD2 4.14Å; F180-I190 HydrophobicContact CE2-CD1 3.88Å; F180-I190 HydrophobicContact CZ-CD1 3.7Å; F180-Y227 HydrophobicContact CB-CE1 4.38Å; F180-Y227 HydrophobicContact CB-CE2 4.48Å
181	I	75.6	Confident	82.2	Confident	116 Å²	116	63.6 Å²	63.6	60%	0.595	36%	0.355	S	S	*	.			trans	-79.7	104.1	178.2	-58.4	172.9	0	0	0	108.8	N179 S183	N179-I181 PolarHBondContact O-N 3.03Å; N179-I181 VanDerWaalsContact O-N 3.13Å; I181-S183 PolarHBondContact O-N 3.01Å
182	V	76.9	Confident	82.5	Confident	31 Å²	31	66.8 Å²	66.8	19%	0.188	37%	0.373	C	S	.	.			trans	-68.2	101.5	179.4	-175.4	0	0	0	0	109.8	F180 L187 Y227 N231 L273	F180-V182 HydrophobicContact CD1-CG2 4.07Å; F180-V182 HydrophobicContact CE1-CG2 4.47Å; F180-V182 PolarHBondContact O-N 3.46Å; V182-L187 HydrophobicContact CG1-CD1 3.58Å; V182-Y227 HydrophobicContact CG2-CD1 4.35Å; V182-Y227 HydrophobicContact CG2-CG 4.48Å; V182-N231 HydrophobicContact CB-CB 4.2Å; V182-N231 VanDerWaalsContact CB-ND2 3.31Å; V182-N231 WeakPolarHBondContact CB-ND2 3.3Å; V182-N231 HydrophobicContact CG1-CB 3.88Å; V182-N231 WeakPolarHBondContact CG1-ND2 3.31Å; V182-N231 HydrophobicContact CG2-CB 4.41Å; V182-L273 HydrophobicContact CG1-CD1 4.36Å; V182-L273 HydrophobicContact CG1-CD2 4.36Å
183	S	81.3	Confident	82.7	Confident	35 Å²	35	67.8 Å²	67.8	25%	0.245	38%	0.375	C	S	.	.			trans	-132.4	146.8	174	58.8	0	0	0	0	109.8	I181 E185 K186 L187	I181-S183 PolarHBondContact O-N 3.01Å; S183-E185 PolarHBondContact O-N 2.88Å; S183-K186 PolarHBondContact O-N 2.92Å; S183-K186 WeakPolarHBondContact OG-CB 3.3Å; S183-K186 VanDerWaalsContact OG-CG 3.32Å; S183-K186 WeakPolarHBondContact OG-CG 3.36Å; S183-L187 WeakPolarHBondContact O-CB 3.24Å; S183-L187 WeakPolarHBondContact O-CG 3.29Å; S183-L187 PolarHBondContact O-N 3.46Å
184	R	82.4	Confident	82.9	Confident	115 Å²	115	64.4 Å²	64.4	43%	0.434	35%	0.348	S	S	.	.	H	α-helix	trans	-55	-39.5	177.9	178.2	175.2	-176.4	-108.1	-1.9	111.9	L188 S272 L276	R184-L188 VanDerWaalsContact O-CB 3.24Å; R184-L188 WeakPolarHBondContact O-CB 3.47Å; R184-L188 PolarHBondContact O-N 3.29Å; R184-S272 WeakPolarHBondContact CD-O 3Å; R184-L276 HydrophobicContact CG-CD1 4.09Å; R184-L276 HydrophobicContact CG-CD2 4.28Å; R184-L276 HydrophobicContact CG-CG 4.36Å
185	E	84.6	Confident	83.2	Confident	170 Å²	170	60.4 Å²	60.4	79%	0.794	33%	0.329	S	S	*	.	H	α-helix	trans	-66.3	-36.3	-177.4	-65.1	175.5	-176.9	0	0	112.8	S183 P189	S183-E185 PolarHBondContact O-N 2.88Å; E185-P189 WeakPolarHBondContact O-CD 3.41Å; E185-P189 WeakPolarHBondContact O-CG 3.35Å
186	K	84.9	Confident	83.5	Confident	96 Å²	96	63.7 Å²	63.7	42%	0.417	35%	0.352	S	S	.	.	H	α-helix	trans	-81.3	-38.7	176.1	-67.7	-175.5	179.2	-172.7	0	112.7	F180 S183 P189 I190	F180-K186 HydrophobicContact CZ-CB 4.28Å; S183-K186 PolarHBondContact O-N 2.92Å; S183-K186 WeakPolarHBondContact OG-CB 3.3Å; S183-K186 VanDerWaalsContact OG-CG 3.32Å; S183-K186 WeakPolarHBondContact OG-CG 3.36Å; K186-P189 VanDerWaalsContact O-CD 3.29Å; K186-P189 WeakPolarHBondContact O-CD 3.18Å; K186-P189 VanDerWaalsContact O-CG 3.3Å; K186-P189 WeakPolarHBondContact O-CG 3.49Å; K186-I190 WeakPolarHBondContact O-CD1 3.38Å; K186-I190 WeakPolarHBondContact O-CG1 3.5Å
187	L	87.6	Confident	84	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-72.2	-34.9	-178.2	-76.7	171.9	0	0	0	113.1	F180 V182 S183 I190 L191 I228 L273 L276	F180-L187 HydrophobicContact CE1-CD2 3.8Å; F180-L187 HydrophobicContact CE1-CG 4.24Å; F180-L187 HydrophobicContact CZ-CD2 4.14Å; V182-L187 HydrophobicContact CG1-CD1 3.58Å; S183-L187 WeakPolarHBondContact O-CB 3.24Å; S183-L187 WeakPolarHBondContact O-CG 3.29Å; S183-L187 PolarHBondContact O-N 3.46Å; L187-I190 PolarHBondContact O-N 2.86Å; L187-L191 WeakPolarHBondContact O-CB 3.41Å; L187-L191 WeakPolarHBondContact O-CG 3.34Å; L187-L191 PolarHBondContact O-N 3.33Å; L187-I228 HydrophobicContact CD1-CD1 3.87Å; L187-I228 HydrophobicContact CD1-CG1 3.45Å; L187-I228 VanDerWaalsContact CD1-CG1 3.45Å; L187-I228 HydrophobicContact CD2-CD1 4.46Å; L187-I228 HydrophobicContact CD2-CG1 4.4Å; L187-L273 HydrophobicContact CD1-CD2 3.96Å; L187-L276 HydrophobicContact CB-CD1 4.19Å
188	L	90.5	Very high	84.4	Confident	61 Å²	61	56.8 Å²	56.8	32%	0.319	30%	0.298	S	S	.	.	H	α-helix	trans	-55.8	-52.1	-179.5	179.4	67.6	0	0	0	113.6	R184 I190 N192 L276	R184-L188 VanDerWaalsContact O-CB 3.24Å; R184-L188 WeakPolarHBondContact O-CB 3.47Å; R184-L188 PolarHBondContact O-N 3.29Å; L188-I190 VanDerWaalsContact C-N 3.35Å; L188-N192 WeakPolarHBondContact O-CB 3.46Å; L188-N192 PolarHBondContact O-N 3.27Å; L188-N192 PolarHBondContact O-ND2 3.01Å; L188-L276 HydrophobicContact CB-CD2 4.31Å; L188-L276 HydrophobicContact CD1-CD2 3.61Å
189	P	89.9	Confident	85.7	Confident	55 Å²	55	55.8 Å²	55.8	36%	0.357	28%	0.284	S	S	.	.	H	α-helix	trans	-67	-34.7	177.9	25.7	-34.4	0	0	0	112.5	E185 K186 K193	E185-P189 WeakPolarHBondContact O-CD 3.41Å; E185-P189 WeakPolarHBondContact O-CG 3.35Å; K186-P189 VanDerWaalsContact O-CD 3.29Å; K186-P189 WeakPolarHBondContact O-CD 3.18Å; K186-P189 VanDerWaalsContact O-CG 3.3Å; K186-P189 WeakPolarHBondContact O-CG 3.49Å; P189-K193 VanDerWaalsContact O-CG 3.3Å; P189-K193 WeakPolarHBondContact O-CG 3.26Å; P189-K193 PolarHBondContact O-N 3.04Å
190	I	89.6	Confident	86.6	Confident	6 Å²	6	51 Å²	51	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-51.3	176.5	-67.4	170.1	0	0	0	110.2	I171 F180 K186 L187 L188 N192 K193 L194	I171-I190 HydrophobicContact CG2-CG2 3.7Å; F180-I190 HydrophobicContact CE2-CD1 3.88Å; F180-I190 HydrophobicContact CZ-CD1 3.7Å; K186-I190 WeakPolarHBondContact O-CD1 3.38Å; K186-I190 WeakPolarHBondContact O-CG1 3.5Å; L187-I190 PolarHBondContact O-N 2.86Å; L188-I190 VanDerWaalsContact C-N 3.35Å; I190-N192 PolarHBondContact O-N 2.89Å; I190-K193 PolarHBondContact O-N 3.46Å; I190-L194 HydrophobicContact CG2-CD1 3.89Å; I190-L194 HydrophobicContact CG2-CG 4.41Å; I190-L194 WeakPolarHBondContact O-CB 3.4Å; I190-L194 WeakPolarHBondContact O-CG 3.34Å; I190-L194 PolarHBondContact O-N 3.42Å
191	L	91.7	Very high	87.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-39.3	179.3	-66.6	177.6	0	0	0	112.2	L187 K193 L194 D195 L221 A224 I228 L276 Y287	L187-L191 WeakPolarHBondContact O-CB 3.41Å; L187-L191 WeakPolarHBondContact O-CG 3.34Å; L187-L191 PolarHBondContact O-N 3.33Å; L191-K193 PolarHBondContact O-N 3.41Å; L191-L194 PolarHBondContact O-N 3.36Å; L191-D195 WeakPolarHBondContact O-CB 3.41Å; L191-D195 PolarHBondContact O-N 2.88Å; L191-L221 HydrophobicContact CD2-CD1 3.92Å; L191-A224 HydrophobicContact CD2-CB 4.32Å; L191-I228 HydrophobicContact CD1-CD1 4.11Å; L191-L276 HydrophobicContact CD1-CB 4.3Å; L191-L276 HydrophobicContact CD1-CD1 4.42Å; L191-Y287 HydrophobicContact CD2-CE1 4.46Å
192	N	91.9	Very high	87.8	Confident	72 Å²	72	48.7 Å²	48.7	39%	0.385	24%	0.244	S	C	.	.	H	α-helix	trans	-58.3	-48.8	174.2	-80.6	-20.1	0	0	0	111.8	L188 I190 D195 S196 R280	L188-N192 WeakPolarHBondContact O-CB 3.46Å; L188-N192 PolarHBondContact O-N 3.27Å; L188-N192 PolarHBondContact O-ND2 3.01Å; I190-N192 PolarHBondContact O-N 2.89Å; N192-D195 PolarHBondContact O-N 3.49Å; N192-S196 WeakPolarHBondContact O-CB 3.28Å; N192-S196 PolarHBondContact O-N 3.36Å; N192-S196 PolarHBondContact O-OG 3.24Å; N192-S196 VanDerWaalsContact O-OG 3.09Å; N192-R280 VanDerWaalsContact OD1-CZ 3.31Å; N192-R280 PolarHBondContact OD1-NH1 2.66Å; N192-R280 PolarHBondContact OD1-NH2 3.39Å
193	K	90.4	Very high	88.3	Confident	96 Å²	96	54 Å²	54	42%	0.417	27%	0.266	S	S	.	.	H	α-helix	trans	-65	-40.5	179.4	-70.8	175.5	-179.1	-178.9	0	111.8	I171 P189 I190 L191 S197	I171-K193 HydrophobicContact CD1-CB 3.48Å; I171-K193 VanDerWaalsContact CD1-CB 3.48Å; I171-K193 HydrophobicContact CD1-CD 4.03Å; I171-K193 HydrophobicContact CD1-CG 4.43Å; P189-K193 VanDerWaalsContact O-CG 3.3Å; P189-K193 WeakPolarHBondContact O-CG 3.26Å; P189-K193 PolarHBondContact O-N 3.04Å; I190-K193 PolarHBondContact O-N 3.46Å; L191-K193 PolarHBondContact O-N 3.41Å; K193-S197 VanDerWaalsContact O-CB 3.26Å; K193-S197 WeakPolarHBondContact O-CB 3.38Å; K193-S197 PolarHBondContact O-N 2.86Å; K193-S197 PolarHBondContact O-OG 3.43Å
194	L	90.5	Very high	88.5	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-43.7	176.4	-73.4	175	0	0	0	112	I171 I190 L191 S197 L198 V217 L221 A224	I171-L194 HydrophobicContact CB-CD2 4.48Å; I171-L194 HydrophobicContact CD1-CD2 4.15Å; I171-L194 HydrophobicContact CD1-CG 4.13Å; I171-L194 HydrophobicContact CG2-CD1 4.1Å; I171-L194 HydrophobicContact CG2-CD2 3.86Å; I171-L194 HydrophobicContact CG2-CG 4.03Å; I190-L194 HydrophobicContact CG2-CD1 3.89Å; I190-L194 HydrophobicContact CG2-CG 4.41Å; I190-L194 WeakPolarHBondContact O-CB 3.4Å; I190-L194 WeakPolarHBondContact O-CG 3.34Å; I190-L194 PolarHBondContact O-N 3.42Å; L191-L194 PolarHBondContact O-N 3.36Å; L194-S197 PolarHBondContact O-N 2.81Å; L194-L198 VanDerWaalsContact O-CB 3.28Å; L194-L198 WeakPolarHBondContact O-CB 2.91Å; L194-L198 PolarHBondContact O-N 2.78Å; L194-V217 HydrophobicContact CD2-CG1 4.33Å; L194-L221 HydrophobicContact CD1-CB 4.44Å; L194-L221 HydrophobicContact CD1-CD1 4.32Å; L194-A224 HydrophobicContact CD1-CB 4.48Å
195	D	92.5	Very high	88.5	Confident	9 Å²	9	54.3 Å²	54.3	5%	0.048	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-44.7	177.9	-70.7	-12.1	0	0	0	111.4	L191 N192 S197 L198 L199 R280 V283 Y287	L191-D195 WeakPolarHBondContact O-CB 3.41Å; L191-D195 PolarHBondContact O-N 2.88Å; N192-D195 PolarHBondContact O-N 3.49Å; D195-S197 VanDerWaalsContact C-N 3.34Å; D195-S197 PolarHBondContact O-N 3.48Å; D195-L198 PolarHBondContact O-N 3.11Å; D195-L199 WeakPolarHBondContact O-CG 3.45Å; D195-L199 PolarHBondContact O-N 3.13Å; D195-R280 WeakPolarHBondContact OD2-CD 3.25Å; D195-R280 IonicContact OD2-CZ 3.7Å; D195-R280 IonicContact OD2-NE 3.74Å; D195-R280 IonicContact OD2-NH1 2.66Å; D195-R280 PolarHBondContact OD2-NH1 3.39Å; D195-V283 HydrophobicContact CB-CG1 4.19Å; D195-Y287 PolarHBondContact OD1-OH 2.89Å; D195-Y287 PolarHBondContact OD2-OH 2.96Å
196	S	90.1	Very high	88.5	Confident	70 Å²	70	53.7 Å²	53.7	49%	0.49	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-43.3	174.6	-64.1	0	0	0	0	111.8	N192 L198 Y200	N192-S196 WeakPolarHBondContact O-CB 3.28Å; N192-S196 PolarHBondContact O-N 3.36Å; N192-S196 PolarHBondContact O-OG 3.24Å; N192-S196 VanDerWaalsContact O-OG 3.09Å; S196-L198 VanDerWaalsContact C-N 3.33Å; S196-L198 PolarHBondContact O-N 2.83Å; S196-Y200 VanDerWaalsContact O-CB 3.31Å; S196-Y200 WeakPolarHBondContact O-CB 3.41Å; S196-Y200 PolarHBondContact O-N 2.96Å
197	S	88.6	Confident	88.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-40.6	176.1	-57.7	0	0	0	0	111.3	K193 L194 D195 Y200 F201	K193-S197 VanDerWaalsContact O-CB 3.26Å; K193-S197 WeakPolarHBondContact O-CB 3.38Å; K193-S197 PolarHBondContact O-N 2.86Å; K193-S197 PolarHBondContact O-OG 3.43Å; L194-S197 PolarHBondContact O-N 2.81Å; D195-S197 VanDerWaalsContact C-N 3.34Å; D195-S197 PolarHBondContact O-N 3.48Å; S197-Y200 PolarHBondContact O-N 3.37Å; S197-F201 WeakPolarHBondContact O-CD2 3.5Å; S197-F201 WeakPolarHBondContact O-CG 3.33Å; S197-F201 PolarHBondContact O-N 3.02Å
198	L	89.1	Confident	88.2	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-47.7	179.6	-175.3	70	0	0	0	111.7	L194 D195 S196 Y200 F201 Q202 V217 K218 V283 T284	L194-L198 VanDerWaalsContact O-CB 3.28Å; L194-L198 WeakPolarHBondContact O-CB 2.91Å; L194-L198 PolarHBondContact O-N 2.78Å; D195-L198 PolarHBondContact O-N 3.11Å; S196-L198 VanDerWaalsContact C-N 3.33Å; S196-L198 PolarHBondContact O-N 2.83Å; L198-Y200 VanDerWaalsContact C-N 3.34Å; L198-F201 PolarHBondContact O-N 3.38Å; L198-Q202 VanDerWaalsContact O-CG 3.29Å; L198-Q202 WeakPolarHBondContact O-CG 3.18Å; L198-Q202 PolarHBondContact O-N 2.95Å; L198-Q202 VanDerWaalsContact O-N 3.11Å; L198-V217 HydrophobicContact CB-CG1 3.88Å; L198-V217 HydrophobicContact CD1-CG1 3.97Å; L198-K218 HydrophobicContact CD1-CG 4.16Å; L198-V283 HydrophobicContact CD2-CG1 4.37Å; L198-T284 HydrophobicContact CD2-CG2 3.12Å
199	L	88.6	Confident	88	Confident	79 Å²	79	62.8 Å²	62.8	41%	0.414	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-44.2	176.7	-69.7	172.5	0	0	0	110.8	D195 F201 Q202 E203	D195-L199 WeakPolarHBondContact O-CG 3.45Å; D195-L199 PolarHBondContact O-N 3.13Å; L199-F201 PolarHBondContact O-N 3.41Å; L199-Q202 WeakPolarHBondContact O-CB 3.3Å; L199-Q202 PolarHBondContact O-N 3.11Å; L199-Q202 VanDerWaalsContact O-N 3.13Å; L199-E203 WeakPolarHBondContact O-CG 3.43Å; L199-E203 PolarHBondContact O-N 3.44Å
200	Y	88.4	Confident	87.8	Confident	32 Å²	32	60.3 Å²	60.3	13%	0.125	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-46.2	177.7	-179.6	-99.6	0	0	0	112.8	C161 N164 F165 S196 S197 L198 Q202 E203 H204 F207	C161-Y200 WeakPolarHBondContact CA-OH 3.14Å; C161-Y200 WeakPolarHBondContact CB-OH 3.48Å; C161-Y200 PolarHBondContact SG-OH 3.02Å; C161-Y200 VanDerWaalsContact SG-OH 3.39Å; N164-Y200 HydrophobicContact CB-CD1 3.74Å; N164-Y200 HydrophobicContact CB-CE1 4.1Å; N164-Y200 HydrophobicContact CB-CG 4.23Å; N164-Y200 WeakPolarHBondContact ND2-CD1 3.39Å; N164-Y200 WeakPolarHBondContact ND2-CD2 3.45Å; F165-Y200 HydrophobicContact CE2-CE1 4.19Å; S196-Y200 VanDerWaalsContact O-CB 3.31Å; S196-Y200 WeakPolarHBondContact O-CB 3.41Å; S196-Y200 PolarHBondContact O-N 2.96Å; S197-Y200 PolarHBondContact O-N 3.37Å; L198-Y200 VanDerWaalsContact C-N 3.34Å; Y200-Q202 VanDerWaalsContact C-N 3.29Å; Y200-Q202 PolarHBondContact O-N 3.16Å; Y200-E203 PolarHBondContact O-N 2.82Å; Y200-H204 AromaticContact CD2-CD2 3.53Å; Y200-H204 AromaticContact CD2-NE2 3.85Å; Y200-H204 AromaticContact CE2-CD2 3.31Å; Y200-H204 WeakPolarHBondContact CE2-CD2 3.29Å; Y200-H204 AromaticContact CE2-NE2 3.51Å; Y200-H204 AromaticContact CZ-CD2 3.69Å; Y200-H204 PolarHBondContact O-CD2 3.3Å; Y200-H204 VanDerWaalsContact O-CD2 3.29Å; Y200-H204 PolarHBondContact O-N 3.27Å; Y200-H204 VanDerWaalsContact O-N 3.08Å; Y200-F207 HydrophobicContact CE1-CE2 4.35Å; Y200-F207 WeakPolarHBondContact OH-CE2 3.5Å
201	F	88.3	Confident	87.8	Confident	1 Å²	1	63.4 Å²	63.4	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-70	-26.3	178	-64.5	-51.3	0	0	0	113.3	N164 F165 V168 S197 L198 L199 S210 Y213 L214 V217	N164-F201 HydrophobicContact CB-CZ 4.4Å; F165-F201 AromaticContact CD1-CE1 3.73Å; F165-F201 HydrophobicContact CD1-CE1 3.73Å; F165-F201 AromaticContact CD1-CZ 3.86Å; F165-F201 HydrophobicContact CD1-CZ 3.86Å; F165-F201 HydrophobicContact CD2-CE1 4.24Å; F165-F201 HydrophobicContact CE1-CD1 4.32Å; F165-F201 AromaticContact CE1-CE1 3.39Å; F165-F201 HydrophobicContact CE1-CE1 3.39Å; F165-F201 HydrophobicContact CE1-CZ 4.01Å; F165-F201 AromaticContact CE2-CE1 3.94Å; F165-F201 HydrophobicContact CE2-CE1 3.94Å; F165-F201 HydrophobicContact CG-CE1 4.16Å; F165-F201 HydrophobicContact CG-CZ 4.15Å; F165-F201 HydrophobicContact CZ-CD1 4.32Å; F165-F201 AromaticContact CZ-CE1 3.52Å; F165-F201 HydrophobicContact CZ-CE1 3.52Å; F165-F201 HydrophobicContact CZ-CZ 4.42Å; V168-F201 HydrophobicContact CG2-CE2 4.05Å; S197-F201 WeakPolarHBondContact O-CD2 3.5Å; S197-F201 WeakPolarHBondContact O-CG 3.33Å; S197-F201 PolarHBondContact O-N 3.02Å; L198-F201 PolarHBondContact O-N 3.38Å; L199-F201 PolarHBondContact O-N 3.41Å; F201-S210 PolarHBondContact O-OG 3.05Å; F201-Y213 HydrophobicContact CZ-CD1 4.5Å; F201-Y213 HydrophobicContact CZ-CG 4.34Å; F201-L214 HydrophobicContact CB-CB 4.27Å; F201-L214 HydrophobicContact CB-CD1 4.4Å; F201-V217 HydrophobicContact CD2-CG2 3.83Å; F201-V217 HydrophobicContact CE2-CG2 3.7Å
202	Q	86.5	Confident	87.6	Confident	93 Å²	93	67.4 Å²	67.4	44%	0.435	34%	0.342	S	S	.	.	H	α-helix	trans	-72.9	-38.5	173.5	-73.5	175.7	-2.6	0	0	112.3	L198 L199 Y200 H204 L214	L198-Q202 VanDerWaalsContact O-CG 3.29Å; L198-Q202 WeakPolarHBondContact O-CG 3.18Å; L198-Q202 PolarHBondContact O-N 2.95Å; L198-Q202 VanDerWaalsContact O-N 3.11Å; L199-Q202 WeakPolarHBondContact O-CB 3.3Å; L199-Q202 PolarHBondContact O-N 3.11Å; L199-Q202 VanDerWaalsContact O-N 3.13Å; Y200-Q202 VanDerWaalsContact C-N 3.29Å; Y200-Q202 PolarHBondContact O-N 3.16Å; Q202-H204 VanDerWaalsContact C-N 3.34Å; Q202-L214 HydrophobicContact CG-CD1 4.28Å
203	E	87.2	Confident	87.5	Confident	143 Å²	143	66 Å²	66	67%	0.668	33%	0.332	S	S	*	.	H	α-helix	trans	-73	-26.8	177.4	-71.1	-177.6	170.7	0	0	112.8	L199 Y200 P205	L199-E203 WeakPolarHBondContact O-CG 3.43Å; L199-E203 PolarHBondContact O-N 3.44Å; Y200-E203 PolarHBondContact O-N 2.82Å; E203-P205 WeakPolarHBondContact O-CD 3.38Å
204	H	86.3	Confident	87.5	Confident	67 Å²	67	63.2 Å²	63.2	31%	0.31	32%	0.321	S	S	.	.			trans	-116.3	69.9	-179.9	-57.5	-66.7	0	0	0	113.7	Y200 Q202 N206 F207 S210	Y200-H204 AromaticContact CD2-CD2 3.53Å; Y200-H204 AromaticContact CD2-NE2 3.85Å; Y200-H204 AromaticContact CE2-CD2 3.31Å; Y200-H204 WeakPolarHBondContact CE2-CD2 3.29Å; Y200-H204 AromaticContact CE2-NE2 3.51Å; Y200-H204 AromaticContact CZ-CD2 3.69Å; Y200-H204 PolarHBondContact O-CD2 3.3Å; Y200-H204 VanDerWaalsContact O-CD2 3.29Å; Y200-H204 PolarHBondContact O-N 3.27Å; Y200-H204 VanDerWaalsContact O-N 3.08Å; Q202-H204 VanDerWaalsContact C-N 3.34Å; H204-N206 PolarHBondContact O-N 2.98Å; H204-F207 HydrophobicContact CB-CD2 3.39Å; H204-F207 HydrophobicContact CB-CE2 3.34Å; H204-F207 HydrophobicContact CB-CG 4.35Å; H204-F207 HydrophobicContact CB-CZ 4.29Å; H204-F207 AromaticContact CG-CE2 3.52Å; H204-S210 WeakPolarHBondContact O-CB 3.5Å; H204-S210 PolarHBondContact O-OG 3.04Å; H204-S210 VanDerWaalsContact O-OG 3.05Å
205	P	82.4	Confident	87.4	Confident	88 Å²	88	68.5 Å²	68.5	57%	0.571	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.4	177.3	30.1	-35.4	0	0	0	113.2	E203 F207	E203-P205 WeakPolarHBondContact O-CD 3.38Å; P205-F207 VanDerWaalsContact C-N 3.33Å; P205-F207 PolarHBondContact O-N 2.81Å
206	N	84.1	Confident	87.3	Confident	158 Å²	158	71.1 Å²	71.1	85%	0.845	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.2	-175.4	-61.6	-18.5	0	0	0	113.4	H204	H204-N206 PolarHBondContact O-N 2.98Å
207	F	84.3	Confident	87.4	Confident	83 Å²	83	67.8 Å²	67.8	36%	0.364	34%	0.336	S	S	.	.	S	Bend	trans	-72.6	131.1	177.7	-64.5	-41.8	0	0	0	110.6	Y200 H204 P205 E209 S210	Y200-F207 HydrophobicContact CE1-CE2 4.35Å; Y200-F207 WeakPolarHBondContact OH-CE2 3.5Å; H204-F207 HydrophobicContact CB-CD2 3.39Å; H204-F207 HydrophobicContact CB-CE2 3.34Å; H204-F207 HydrophobicContact CB-CG 4.35Å; H204-F207 HydrophobicContact CB-CZ 4.29Å; H204-F207 AromaticContact CG-CE2 3.52Å; P205-F207 VanDerWaalsContact C-N 3.33Å; P205-F207 PolarHBondContact O-N 2.81Å; F207-E209 VanDerWaalsContact C-N 3.31Å; F207-E209 PolarHBondContact O-N 3.08Å; F207-E209 VanDerWaalsContact O-N 3.15Å; F207-S210 WeakPolarHBondContact O-CB 3.44Å; F207-S210 PolarHBondContact O-N 3.24Å
208	K	82.4	Confident	87.5	Confident	184 Å²	184	71.8 Å²	71.8	80%	0.8	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-45.2	-172	-176.5	-177.8	174.1	-173.6	0	114.2
209	E	85.6	Confident	87.6	Confident	81 Å²	81	73.9 Å²	73.9	38%	0.379	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-3.6	-177.4	-62.7	-60.2	145.7	0	0	113.4	F207 P211 N212 Y213	F207-E209 VanDerWaalsContact C-N 3.31Å; F207-E209 PolarHBondContact O-N 3.08Å; F207-E209 VanDerWaalsContact O-N 3.15Å; E209-P211 VanDerWaalsContact C-CD 3.5Å; E209-N212 WeakPolarHBondContact O-CB 3.5Å; E209-N212 PolarHBondContact O-N 3.13Å; E209-N212 VanDerWaalsContact O-N 3.08Å; E209-N212 PolarHBondContact OE2-ND2 3.36Å; E209-Y213 HydrophobicContact CB-CD2 3.93Å; E209-Y213 HydrophobicContact CB-CE2 4.04Å; E209-Y213 WeakPolarHBondContact O-CD2 3.37Å; E209-Y213 PolarHBondContact O-N 3.34Å
210	S	86.2	Confident	87.7	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.014	35%	0.349	C	S	.	.	H	α-helix	trans	-49.8	-48.3	178.2	-176.9	0	0	0	0	113.8	F201 H204 F207 N212 Y213 L214	F201-S210 PolarHBondContact O-OG 3.05Å; H204-S210 WeakPolarHBondContact O-CB 3.5Å; H204-S210 PolarHBondContact O-OG 3.04Å; H204-S210 VanDerWaalsContact O-OG 3.05Å; F207-S210 WeakPolarHBondContact O-CB 3.44Å; F207-S210 PolarHBondContact O-N 3.24Å; S210-N212 VanDerWaalsContact C-N 3.3Å; S210-N212 PolarHBondContact O-N 2.96Å; S210-Y213 PolarHBondContact O-N 2.86Å; S210-L214 VanDerWaalsContact O-CB 3.3Å; S210-L214 WeakPolarHBondContact O-CB 3.39Å; S210-L214 PolarHBondContact O-N 3.44Å
211	P	88	Confident	87.9	Confident	71 Å²	71	68.7 Å²	68.7	46%	0.461	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-34.9	179.7	23.9	-34.4	0	0	0	113.1	E209 I215	E209-P211 VanDerWaalsContact C-CD 3.5Å; P211-I215 WeakPolarHBondContact O-CG1 3.36Å; P211-I215 PolarHBondContact O-N 3.38Å
212	N	89.4	Confident	88	Confident	84 Å²	84	74.3 Å²	74.3	45%	0.449	37%	0.368	S	S	.	.	H	α-helix	trans	-69.1	-44.5	177.8	-67.8	-24.6	0	0	0	111.1	E209 S210 I215 K216	E209-N212 WeakPolarHBondContact O-CB 3.5Å; E209-N212 PolarHBondContact O-N 3.13Å; E209-N212 VanDerWaalsContact O-N 3.08Å; E209-N212 PolarHBondContact OE2-ND2 3.36Å; S210-N212 VanDerWaalsContact C-N 3.3Å; S210-N212 PolarHBondContact O-N 2.96Å; N212-I215 PolarHBondContact O-N 3.03Å; N212-K216 PolarHBondContact O-N 2.8Å; N212-K216 VanDerWaalsContact O-N 3.12Å
213	Y	89.7	Confident	88.2	Confident	43 Å²	43	73.3 Å²	73.3	17%	0.169	37%	0.365	C	S	.	.	H	α-helix	trans	-69.4	-33.1	176.8	-82.9	-91.7	0	0	0	112.4	F165 V168 D169 F201 E209 S210 I215 K216 V217	F165-Y213 HydrophobicContact CB-CE1 4.25Å; F165-Y213 AromaticContact CD1-CD1 3.86Å; F165-Y213 HydrophobicContact CD1-CD1 3.86Å; F165-Y213 AromaticContact CD1-CD2 3.51Å; F165-Y213 HydrophobicContact CD1-CD2 3.51Å; F165-Y213 HydrophobicContact CD1-CE1 4.01Å; F165-Y213 AromaticContact CD1-CE2 3.66Å; F165-Y213 HydrophobicContact CD1-CE2 3.66Å; F165-Y213 AromaticContact CD1-CG 3.6Å; F165-Y213 HydrophobicContact CD1-CG 3.6Å; F165-Y213 AromaticContact CD1-CZ 3.9Å; F165-Y213 AromaticContact CE1-CD2 3.73Å; F165-Y213 HydrophobicContact CE1-CD2 3.73Å; F165-Y213 HydrophobicContact CE1-CE2 4.17Å; F165-Y213 HydrophobicContact CE1-CG 4.01Å; V168-Y213 HydrophobicContact CB-CD1 4.46Å; V168-Y213 HydrophobicContact CG1-CD1 4.38Å; D169-Y213 PolarHBondContact OD2-OH 3.35Å; F201-Y213 HydrophobicContact CZ-CD1 4.5Å; F201-Y213 HydrophobicContact CZ-CG 4.34Å; E209-Y213 HydrophobicContact CB-CD2 3.93Å; E209-Y213 HydrophobicContact CB-CE2 4.04Å; E209-Y213 WeakPolarHBondContact O-CD2 3.37Å; E209-Y213 PolarHBondContact O-N 3.34Å; S210-Y213 PolarHBondContact O-N 2.86Å; Y213-I215 VanDerWaalsContact C-N 3.29Å; Y213-I215 PolarHBondContact O-N 3.43Å; Y213-K216 HydrophobicContact CD1-CD 4.06Å; Y213-K216 HydrophobicContact CE1-CD 4.22Å; Y213-K216 CarbonylContact O-C 3.57Å; Y213-K216 WeakPolarHBondContact O-CB 3.32Å; Y213-K216 PolarHBondContact O-N 2.95Å; Y213-K216 VanDerWaalsContact O-N 3.11Å; Y213-V217 WeakPolarHBondContact O-CG2 3.35Å; Y213-V217 PolarHBondContact O-N 3.18Å
214	L	88.6	Confident	88.4	Confident	37 Å²	37	66.5 Å²	66.5	19%	0.194	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-40.6	173.2	-171.1	156	0	0	0	111.2	F201 Q202 S210 V217 K218	F201-L214 HydrophobicContact CB-CB 4.27Å; F201-L214 HydrophobicContact CB-CD1 4.4Å; Q202-L214 HydrophobicContact CG-CD1 4.28Å; S210-L214 VanDerWaalsContact O-CB 3.3Å; S210-L214 WeakPolarHBondContact O-CB 3.39Å; S210-L214 PolarHBondContact O-N 3.44Å; L214-V217 PolarHBondContact O-N 3.3Å; L214-K218 HydrophobicContact CD2-CD 3.81Å; L214-K218 VanDerWaalsContact CD2-CE 3.46Å; L214-K218 HydrophobicContact CD2-CG 4.38Å; L214-K218 WeakPolarHBondContact O-CG 3.49Å; L214-K218 PolarHBondContact O-N 2.79Å
215	I	90	Very high	88.7	Confident	112 Å²	112	63.4 Å²	63.4	57%	0.574	32%	0.319	S	S	*	.	H	α-helix	trans	-63.6	-44.1	173	-64.5	164.8	0	0	0	110.9	P211 N212 Y213 K218 S219	P211-I215 WeakPolarHBondContact O-CG1 3.36Å; P211-I215 PolarHBondContact O-N 3.38Å; N212-I215 PolarHBondContact O-N 3.03Å; Y213-I215 VanDerWaalsContact C-N 3.29Å; Y213-I215 PolarHBondContact O-N 3.43Å; I215-K218 PolarHBondContact O-N 2.92Å; I215-S219 PolarHBondContact O-N 2.62Å; I215-S219 PolarHBondContact O-OG 2.9Å
216	K	90	Very high	89.1	Confident	65 Å²	65	63.8 Å²	63.8	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-40	176.8	-71.6	-179.2	169.9	-172	0	113.3	V168 D169 N212 Y213 S219 S220	V168-K216 HydrophobicContact CG1-CB 4.14Å; D169-K216 IonicContact OD1-NZ 3.95Å; D169-K216 PolarHBondContact OD1-NZ 3.34Å; N212-K216 PolarHBondContact O-N 2.8Å; N212-K216 VanDerWaalsContact O-N 3.12Å; Y213-K216 HydrophobicContact CD1-CD 4.06Å; Y213-K216 HydrophobicContact CE1-CD 4.22Å; Y213-K216 CarbonylContact O-C 3.57Å; Y213-K216 WeakPolarHBondContact O-CB 3.32Å; Y213-K216 PolarHBondContact O-N 2.95Å; Y213-K216 VanDerWaalsContact O-N 3.11Å; K216-S219 WeakPolarHBondContact CA-OG 3.37Å; K216-S219 PolarHBondContact O-N 3.43Å; K216-S219 PolarHBondContact O-OG 3.4Å; K216-S220 VanDerWaalsContact O-CB 3.32Å; K216-S220 WeakPolarHBondContact O-CB 3.21Å; K216-S220 PolarHBondContact O-N 3.45Å; K216-S220 PolarHBondContact O-OG 3.45Å
217	V	91.5	Very high	89.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-48.2	176.4	172.6	0	0	0	0	109.6	V168 L194 L198 F201 Y213 L214 S219 S220 L221	V168-V217 HydrophobicContact CB-CG2 4.18Å; V168-V217 HydrophobicContact CG1-CG2 3.7Å; V168-V217 HydrophobicContact CG2-CG2 3.34Å; L194-V217 HydrophobicContact CD2-CG1 4.33Å; L198-V217 HydrophobicContact CB-CG1 3.88Å; L198-V217 HydrophobicContact CD1-CG1 3.97Å; F201-V217 HydrophobicContact CD2-CG2 3.83Å; F201-V217 HydrophobicContact CE2-CG2 3.7Å; Y213-V217 WeakPolarHBondContact O-CG2 3.35Å; Y213-V217 PolarHBondContact O-N 3.18Å; L214-V217 PolarHBondContact O-N 3.3Å; V217-S219 PolarHBondContact O-N 3.45Å; V217-S220 PolarHBondContact O-N 3.31Å; V217-L221 VanDerWaalsContact O-CB 3.28Å; V217-L221 WeakPolarHBondContact O-CB 3.44Å; V217-L221 PolarHBondContact O-N 3.08Å
218	K	91	Very high	89.8	Confident	83 Å²	83	55.3 Å²	55.3	36%	0.361	27%	0.267	S	S	.	.	H	α-helix	trans	-61.1	-42.1	177	-73.2	-176.9	177.2	-178.9	0	112.1	L198 L214 I215 L221 K222	L198-K218 HydrophobicContact CD1-CG 4.16Å; L214-K218 HydrophobicContact CD2-CD 3.81Å; L214-K218 VanDerWaalsContact CD2-CE 3.46Å; L214-K218 HydrophobicContact CD2-CG 4.38Å; L214-K218 WeakPolarHBondContact O-CG 3.49Å; L214-K218 PolarHBondContact O-N 2.79Å; I215-K218 PolarHBondContact O-N 2.92Å; K218-L221 PolarHBondContact O-N 3.39Å; K218-K222 WeakPolarHBondContact O-CG 3.32Å; K218-K222 PolarHBondContact O-N 3.05Å
219	S	90.9	Very high	90.3	Very high	46 Å²	46	48.5 Å²	48.5	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-65.7	-42.1	177.2	66.8	0	0	0	0	112.2	I215 K216 V217 K222 I223	I215-S219 PolarHBondContact O-N 2.62Å; I215-S219 PolarHBondContact O-OG 2.9Å; K216-S219 WeakPolarHBondContact CA-OG 3.37Å; K216-S219 PolarHBondContact O-N 3.43Å; K216-S219 PolarHBondContact O-OG 3.4Å; V217-S219 PolarHBondContact O-N 3.45Å; S219-K222 PolarHBondContact O-N 3.48Å; S219-I223 WeakPolarHBondContact O-CG1 3.45Å; S219-I223 PolarHBondContact O-N 2.9Å
220	S	90.2	Very high	90.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-39.5	176.5	-56.9	0	0	0	0	111.7	L175 K216 V217 I223 A224	L175-S220 WeakPolarHBondContact CD1-O 3.45Å; K216-S220 VanDerWaalsContact O-CB 3.32Å; K216-S220 WeakPolarHBondContact O-CB 3.21Å; K216-S220 PolarHBondContact O-N 3.45Å; K216-S220 PolarHBondContact O-OG 3.45Å; V217-S220 PolarHBondContact O-N 3.31Å; S220-I223 PolarHBondContact O-N 2.94Å; S220-A224 PolarHBondContact O-N 2.69Å
221	L	92.5	Very high	90.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-48.8	173.4	-179.4	60.8	0	0	0	110.9	L191 L194 V217 K218 I223 A224 L225 T284 Y287	L191-L221 HydrophobicContact CD2-CD1 3.92Å; L194-L221 HydrophobicContact CD1-CB 4.44Å; L194-L221 HydrophobicContact CD1-CD1 4.32Å; V217-L221 VanDerWaalsContact O-CB 3.28Å; V217-L221 WeakPolarHBondContact O-CB 3.44Å; V217-L221 PolarHBondContact O-N 3.08Å; K218-L221 PolarHBondContact O-N 3.39Å; L221-I223 VanDerWaalsContact C-N 3.29Å; L221-I223 PolarHBondContact O-N 3.32Å; L221-A224 PolarHBondContact O-N 3.46Å; L221-A224 VanDerWaalsContact O-N 3.14Å; L221-L225 HydrophobicContact CD1-CD1 4.31Å; L221-L225 HydrophobicContact CD1-CG 4.17Å; L221-L225 HydrophobicContact CG-CD1 4.03Å; L221-L225 HydrophobicContact CG-CG 4.31Å; L221-L225 WeakPolarHBondContact O-CB 3.45Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 3.2Å; L221-T284 HydrophobicContact CD2-CG2 4.47Å; L221-Y287 HydrophobicContact CD1-CE1 4.29Å; L221-Y287 WeakPolarHBondContact CD1-OH 3.37Å; L221-Y287 HydrophobicContact CD2-CE2 4.42Å
222	K	91.6	Very high	91.1	Very high	120 Å²	120	45.3 Å²	45.3	52%	0.522	22%	0.222	S	C	.	.	H	α-helix	trans	-56.6	-41.2	175.2	-73.8	-178.1	-175.3	-170.7	0	113	K218 S219 L225 E226 E286	K218-K222 WeakPolarHBondContact O-CG 3.32Å; K218-K222 PolarHBondContact O-N 3.05Å; S219-K222 PolarHBondContact O-N 3.48Å; K222-L225 PolarHBondContact O-N 3.31Å; K222-E226 WeakPolarHBondContact O-CB 3.28Å; K222-E226 PolarHBondContact O-N 3.12Å; K222-E286 WeakPolarHBondContact CE-OE1 3.48Å; K222-E286 IonicContact NZ-OE1 3.04Å
223	I	90.6	Very high	91.3	Very high	72 Å²	72	42.3 Å²	42.3	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-62.6	-48.3	176.2	-67.5	163.8	0	0	0	110.5	L175 S219 S220 L221 L225 E226 Y227	L175-I223 HydrophobicContact CB-CG2 4.14Å; S219-I223 WeakPolarHBondContact O-CG1 3.45Å; S219-I223 PolarHBondContact O-N 2.9Å; S220-I223 PolarHBondContact O-N 2.94Å; L221-I223 VanDerWaalsContact C-N 3.29Å; L221-I223 PolarHBondContact O-N 3.32Å; I223-L225 VanDerWaalsContact C-N 3.3Å; I223-L225 PolarHBondContact O-N 2.98Å; I223-E226 PolarHBondContact O-N 3.23Å; I223-Y227 HydrophobicContact CG2-CD2 3.9Å; I223-Y227 HydrophobicContact CG2-CE2 3.53Å; I223-Y227 WeakPolarHBondContact O-CD2 3.38Å; I223-Y227 PolarHBondContact O-N 3Å
224	A	90.9	Very high	91.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-39.9	177.5	0	0	0	0	0	112.3	L175 L191 L194 S220 L221 Y227 I228	L175-A224 HydrophobicContact CD1-CB 4.04Å; L175-A224 HydrophobicContact CD2-CB 4.08Å; L191-A224 HydrophobicContact CD2-CB 4.32Å; L194-A224 HydrophobicContact CD1-CB 4.48Å; S220-A224 PolarHBondContact O-N 2.69Å; L221-A224 PolarHBondContact O-N 3.46Å; L221-A224 VanDerWaalsContact O-N 3.14Å; A224-Y227 PolarHBondContact O-N 3.32Å; A224-I228 WeakPolarHBondContact O-CG1 3.21Å; A224-I228 PolarHBondContact O-N 3.28Å
225	L	92.9	Very high	91.6	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-40.4	176.7	-68.6	178.6	0	0	0	112.6	L221 K222 I223 Y227 I228 K229 L277 E286 Y287 V290	L221-L225 HydrophobicContact CD1-CD1 4.31Å; L221-L225 HydrophobicContact CD1-CG 4.17Å; L221-L225 HydrophobicContact CG-CD1 4.03Å; L221-L225 HydrophobicContact CG-CG 4.31Å; L221-L225 WeakPolarHBondContact O-CB 3.45Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 3.2Å; K222-L225 PolarHBondContact O-N 3.31Å; I223-L225 VanDerWaalsContact C-N 3.3Å; I223-L225 PolarHBondContact O-N 2.98Å; L225-Y227 VanDerWaalsContact C-N 3.3Å; L225-Y227 PolarHBondContact O-N 3.42Å; L225-I228 WeakPolarHBondContact O-CB 3.38Å; L225-I228 PolarHBondContact O-N 2.94Å; L225-I228 VanDerWaalsContact O-N 3.13Å; L225-K229 WeakPolarHBondContact O-CB 3.31Å; L225-K229 PolarHBondContact O-N 3.47Å; L225-L277 HydrophobicContact CD2-CD2 3.47Å; L225-L277 VanDerWaalsContact CD2-CD2 3.47Å; L225-E286 HydrophobicContact CD1-CB 3.91Å; L225-Y287 HydrophobicContact CD2-CD1 3.7Å; L225-Y287 HydrophobicContact CD2-CE1 3.66Å; L225-V290 HydrophobicContact CB-CG2 4.02Å; L225-V290 HydrophobicContact CD1-CG2 4.14Å
226	E	91.5	Very high	91.7	Very high	95 Å²	95	38.3 Å²	38.3	44%	0.444	19%	0.19	S	C	.	.	H	α-helix	trans	-65.1	-34.9	176.3	-169.9	61	-153.5	0	0	111.3	K222 I223 K229 S230	K222-E226 WeakPolarHBondContact O-CB 3.28Å; K222-E226 PolarHBondContact O-N 3.12Å; I223-E226 PolarHBondContact O-N 3.23Å; E226-K229 PolarHBondContact O-N 3.32Å; E226-K229 IonicContact OE1-NZ 2.83Å; E226-K229 PolarHBondContact OE1-NZ 2.92Å; E226-K229 IonicContact OE2-NZ 3.99Å; E226-K229 PolarHBondContact OE2-NZ 2.67Å; E226-S230 WeakPolarHBondContact O-CB 3.47Å; E226-S230 PolarHBondContact O-N 3.3Å
227	Y	90.2	Very high	91.8	Very high	63 Å²	63	39.6 Å²	39.6	25%	0.247	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-41.4	170.3	-80.7	-59.1	0	0	0	112.8	L175 F180 V182 I223 A224 L225 N231	L175-Y227 HydrophobicContact CD2-CD2 4.31Å; L175-Y227 HydrophobicContact CD2-CE2 4.45Å; L175-Y227 PolarHBondContact O-OH 2.97Å; F180-Y227 HydrophobicContact CB-CE1 4.38Å; F180-Y227 HydrophobicContact CB-CE2 4.48Å; V182-Y227 HydrophobicContact CG2-CD1 4.35Å; V182-Y227 HydrophobicContact CG2-CG 4.48Å; I223-Y227 HydrophobicContact CG2-CD2 3.9Å; I223-Y227 HydrophobicContact CG2-CE2 3.53Å; I223-Y227 WeakPolarHBondContact O-CD2 3.38Å; I223-Y227 PolarHBondContact O-N 3Å; A224-Y227 PolarHBondContact O-N 3.32Å; L225-Y227 VanDerWaalsContact C-N 3.3Å; L225-Y227 PolarHBondContact O-N 3.42Å; Y227-N231 WeakPolarHBondContact O-CB 3.2Å; Y227-N231 PolarHBondContact O-N 3.11Å
228	I	92.3	Very high	91.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-50.3	176.9	-68.5	168.8	0	0	0	110	L187 L191 A224 L225 N231 V232 L273 L277	L187-I228 HydrophobicContact CD1-CD1 3.87Å; L187-I228 HydrophobicContact CD1-CG1 3.45Å; L187-I228 VanDerWaalsContact CD1-CG1 3.45Å; L187-I228 HydrophobicContact CD2-CD1 4.46Å; L187-I228 HydrophobicContact CD2-CG1 4.4Å; L191-I228 HydrophobicContact CD1-CD1 4.11Å; A224-I228 WeakPolarHBondContact O-CG1 3.21Å; A224-I228 PolarHBondContact O-N 3.28Å; L225-I228 WeakPolarHBondContact O-CB 3.38Å; L225-I228 PolarHBondContact O-N 2.94Å; L225-I228 VanDerWaalsContact O-N 3.13Å; I228-N231 PolarHBondContact O-N 3.13Å; I228-V232 WeakPolarHBondContact O-CG2 3.49Å; I228-V232 PolarHBondContact O-N 3.19Å; I228-L273 HydrophobicContact CG2-CB 4.17Å; I228-L277 HydrophobicContact CD1-CD2 3.82Å; I228-L277 HydrophobicContact CG2-CD1 3.92Å; I228-L277 HydrophobicContact CG2-CD2 4.44Å; I228-L277 HydrophobicContact CG2-CG 4.35Å
229	K	93.6	Very high	91.7	Very high	42 Å²	42	43.6 Å²	43.6	18%	0.183	21%	0.21	C	C	.	.	H	α-helix	trans	-56.2	-54.7	177.6	176.7	178.8	136.8	-161.2	0	111	L225 E226 N231 V232 T233 V290 E293	L225-K229 WeakPolarHBondContact O-CB 3.31Å; L225-K229 PolarHBondContact O-N 3.47Å; E226-K229 PolarHBondContact O-N 3.32Å; E226-K229 IonicContact OE1-NZ 2.83Å; E226-K229 PolarHBondContact OE1-NZ 2.92Å; E226-K229 IonicContact OE2-NZ 3.99Å; E226-K229 PolarHBondContact OE2-NZ 2.67Å; K229-N231 VanDerWaalsContact C-N 3.28Å; K229-N231 PolarHBondContact O-N 3.19Å; K229-V232 PolarHBondContact O-N 3.31Å; K229-V232 VanDerWaalsContact O-N 3.09Å; K229-T233 HydrophobicContact CG-CG2 4.24Å; K229-T233 WeakPolarHBondContact O-CG2 3.42Å; K229-T233 PolarHBondContact O-N 3.39Å; K229-T233 PolarHBondContact O-OG1 2.85Å; K229-V290 HydrophobicContact CB-CG1 4.03Å; K229-E293 HydrophobicContact CD-CB 4.4Å; K229-E293 VanDerWaalsContact CD-OE2 3.25Å; K229-E293 WeakPolarHBondContact CD-OE2 3.2Å; K229-E293 VanDerWaalsContact CE-OE2 3.24Å; K229-E293 WeakPolarHBondContact CE-OE2 3.28Å; K229-E293 IonicContact NZ-OE2 3.71Å; K229-E293 PolarHBondContact NZ-OE2 3.01Å
230	S	91.9	Very high	91.6	Very high	46 Å²	46	42 Å²	42	32%	0.322	20%	0.198	S	C	.	.	H	α-helix	trans	-56.7	-41.3	180	-178.2	0	0	0	0	111.7	E226 T233 N234	E226-S230 WeakPolarHBondContact O-CB 3.47Å; E226-S230 PolarHBondContact O-N 3.3Å; S230-T233 WeakPolarHBondContact CA-OG1 3.29Å; S230-T233 PolarHBondContact O-OG1 3.44Å; S230-N234 WeakPolarHBondContact O-CB 3.32Å; S230-N234 PolarHBondContact O-N 3.14Å; S230-N234 PolarHBondContact O-ND2 2.98Å; S230-N234 PolarHBondContact O-OD1 3.28Å; S230-N234 PolarHBondContact OG-ND2 3.05Å
231	N	91	Very high	91.4	Very high	41 Å²	41	45.6 Å²	45.6	22%	0.219	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-46	176.3	-169.1	4.6	0	0	0	112.1	V182 Y227 I228 K229 N234 I235 L273	V182-N231 HydrophobicContact CB-CB 4.2Å; V182-N231 VanDerWaalsContact CB-ND2 3.31Å; V182-N231 WeakPolarHBondContact CB-ND2 3.3Å; V182-N231 HydrophobicContact CG1-CB 3.88Å; V182-N231 WeakPolarHBondContact CG1-ND2 3.31Å; V182-N231 HydrophobicContact CG2-CB 4.41Å; Y227-N231 WeakPolarHBondContact O-CB 3.2Å; Y227-N231 PolarHBondContact O-N 3.11Å; I228-N231 PolarHBondContact O-N 3.13Å; K229-N231 VanDerWaalsContact C-N 3.28Å; K229-N231 PolarHBondContact O-N 3.19Å; N231-N234 PolarHBondContact O-N 2.83Å; N231-I235 VanDerWaalsContact O-CG1 3.24Å; N231-I235 WeakPolarHBondContact O-CG1 3.45Å; N231-I235 PolarHBondContact O-N 2.87Å; N231-I235 WeakPolarHBondContact OD1-CD1 3.25Å; N231-L273 HydrophobicContact CB-CD1 4.38Å
232	V	93.1	Very high	91.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-47.1	177.7	172.2	0	0	0	0	111	I228 K229 I235 I236 I270 L273 M274	I228-V232 WeakPolarHBondContact O-CG2 3.49Å; I228-V232 PolarHBondContact O-N 3.19Å; K229-V232 PolarHBondContact O-N 3.31Å; K229-V232 VanDerWaalsContact O-N 3.09Å; V232-I235 PolarHBondContact O-N 3.05Å; V232-I236 HydrophobicContact CG1-CD1 3.82Å; V232-I236 VanDerWaalsContact O-CG1 3.31Å; V232-I236 WeakPolarHBondContact O-CG1 3.12Å; V232-I236 PolarHBondContact O-N 3.4Å; V232-I270 HydrophobicContact CG1-CG2 4.07Å; V232-L273 HydrophobicContact CG2-CB 4.29Å; V232-L273 HydrophobicContact CG2-CD1 3.99Å; V232-M274 HydrophobicContact CG2-SD 4.41Å
233	T	93.4	Very high	90.7	Very high	20 Å²	20	42.7 Å²	42.7	12%	0.123	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-41.9	178.2	58.1	0	0	0	0	111.4	K229 S230 I235 I236 E237 F297	K229-T233 HydrophobicContact CG-CG2 4.24Å; K229-T233 WeakPolarHBondContact O-CG2 3.42Å; K229-T233 PolarHBondContact O-N 3.39Å; K229-T233 PolarHBondContact O-OG1 2.85Å; S230-T233 WeakPolarHBondContact CA-OG1 3.29Å; S230-T233 PolarHBondContact O-OG1 3.44Å; T233-I235 PolarHBondContact O-N 2.88Å; T233-I236 PolarHBondContact O-N 3.24Å; T233-E237 VanDerWaalsContact O-CB 3.29Å; T233-E237 WeakPolarHBondContact O-CB 3.49Å; T233-E237 PolarHBondContact O-N 3.38Å; T233-F297 HydrophobicContact CG2-CB 4.27Å; T233-F297 HydrophobicContact CG2-CD1 3.65Å; T233-F297 HydrophobicContact CG2-CD2 4.08Å; T233-F297 HydrophobicContact CG2-CE1 3.94Å; T233-F297 HydrophobicContact CG2-CE2 4.34Å; T233-F297 HydrophobicContact CG2-CG 3.73Å; T233-F297 HydrophobicContact CG2-CZ 4.27Å
234	N	92.3	Very high	90.1	Very high	84 Å²	84	43.6 Å²	43.6	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-64.5	-37.5	177.4	-68.9	-15.9	0	0	0	112.3	S230 N231 R238	S230-N234 WeakPolarHBondContact O-CB 3.32Å; S230-N234 PolarHBondContact O-N 3.14Å; S230-N234 PolarHBondContact O-ND2 2.98Å; S230-N234 PolarHBondContact O-OD1 3.28Å; S230-N234 PolarHBondContact OG-ND2 3.05Å; N231-N234 PolarHBondContact O-N 2.83Å; N234-R238 WeakPolarHBondContact O-CB 3.47Å; N234-R238 PolarHBondContact O-N 3.04Å
235	I	92.3	Very high	89.5	Confident	22 Å²	22	51.3 Å²	51.3	11%	0.113	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-44.5	174.4	-69	165	0	0	0	110.1	N231 V232 T233 T239 Q266 K269 I270	N231-I235 VanDerWaalsContact O-CG1 3.24Å; N231-I235 WeakPolarHBondContact O-CG1 3.45Å; N231-I235 PolarHBondContact O-N 2.87Å; N231-I235 WeakPolarHBondContact OD1-CD1 3.25Å; V232-I235 PolarHBondContact O-N 3.05Å; T233-I235 PolarHBondContact O-N 2.88Å; I235-T239 WeakPolarHBondContact O-CB 3.35Å; I235-T239 PolarHBondContact O-N 3.36Å; I235-T239 PolarHBondContact O-OG1 3.05Å; I235-Q266 HydrophobicContact CG2-CB 3.78Å; I235-Q266 HydrophobicContact CG2-CG 3.97Å; I235-K269 HydrophobicContact CD1-CB 4.42Å; I235-I270 HydrophobicContact CG2-CD1 4.01Å; I235-I270 HydrophobicContact CG2-CG1 4.07Å
236	I	92.2	Very high	88.6	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-52.3	179.1	-68.9	165.1	0	0	0	110.1	V232 T233 R238 T239 I240 F263 I270 F297 Y298	V232-I236 HydrophobicContact CG1-CD1 3.82Å; V232-I236 VanDerWaalsContact O-CG1 3.31Å; V232-I236 WeakPolarHBondContact O-CG1 3.12Å; V232-I236 PolarHBondContact O-N 3.4Å; T233-I236 PolarHBondContact O-N 3.24Å; I236-R238 PolarHBondContact O-N 2.94Å; I236-T239 WeakPolarHBondContact O-CB 2.88Å; I236-T239 PolarHBondContact O-N 3.24Å; I236-I240 HydrophobicContact CG2-CD1 3.57Å; I236-I240 HydrophobicContact CG2-CG1 4.39Å; I236-I240 WeakPolarHBondContact O-CD1 3.42Å; I236-I240 VanDerWaalsContact O-CG1 3.28Å; I236-I240 WeakPolarHBondContact O-CG1 3.25Å; I236-I240 PolarHBondContact O-N 3.32Å; I236-F263 HydrophobicContact CG2-CE1 4.43Å; I236-I270 HydrophobicContact CG1-CD1 3.96Å; I236-F297 HydrophobicContact CB-CD1 4.47Å; I236-F297 HydrophobicContact CB-CE1 4.11Å; I236-F297 HydrophobicContact CD1-CD1 4.35Å; I236-F297 HydrophobicContact CG2-CD1 4.2Å; I236-F297 HydrophobicContact CG2-CE1 3.9Å; I236-Y298 HydrophobicContact CD1-CD2 4.08Å; I236-Y298 HydrophobicContact CG1-CD2 4.48Å
237	E	92.5	Very high	87.3	Confident	91 Å²	91	55.5 Å²	55.5	43%	0.425	27%	0.267	S	S	.	.	H	α-helix	trans	-59.1	-44.6	-179.9	-172	178	-178.9	0	0	111.8	T233 T239 I240 N241 F297	T233-E237 VanDerWaalsContact O-CB 3.29Å; T233-E237 WeakPolarHBondContact O-CB 3.49Å; T233-E237 PolarHBondContact O-N 3.38Å; E237-T239 VanDerWaalsContact C-N 3.31Å; E237-T239 PolarHBondContact O-N 3.41Å; E237-I240 WeakPolarHBondContact O-CB 3.26Å; E237-I240 PolarHBondContact O-N 3.21Å; E237-N241 VanDerWaalsContact O-CG 3.28Å; E237-N241 PolarHBondContact O-N 3.32Å; E237-N241 PolarHBondContact O-ND2 2.95Å; E237-F297 HydrophobicContact CB-CZ 4.48Å
238	R	91.2	Very high	85.8	Confident	165 Å²	165	60.4 Å²	60.4	62%	0.623	30%	0.298	S	S	*	.	H	α-helix	trans	-59	-43.4	173.5	178.9	179.4	169.2	153.7	5.1	112	N234 I236 I240 N241 E242	N234-R238 WeakPolarHBondContact O-CB 3.47Å; N234-R238 PolarHBondContact O-N 3.04Å; I236-R238 PolarHBondContact O-N 2.94Å; R238-I240 VanDerWaalsContact C-N 3.3Å; R238-I240 PolarHBondContact O-N 3.21Å; R238-N241 PolarHBondContact O-N 3.34Å; R238-E242 HydrophobicContact CG-CG 4.48Å; R238-E242 WeakPolarHBondContact CG-OE1 3.4Å; R238-E242 IonicContact CZ-OE1 3.58Å; R238-E242 IonicContact NE-OE1 2.87Å; R238-E242 PolarHBondContact NE-OE1 3.01Å; R238-E242 IonicContact NH2-OE1 3.63Å; R238-E242 PolarHBondContact NH2-OE1 3.49Å; R238-E242 WeakPolarHBondContact O-CB 3.24Å; R238-E242 VanDerWaalsContact O-CG 3.28Å; R238-E242 WeakPolarHBondContact O-CG 3.36Å; R238-E242 PolarHBondContact O-N 3.38Å
239	T	89.1	Confident	84.2	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-36.4	179.1	-53.3	0	0	0	0	111.3	I235 I236 E237 L243 R262 F263	I235-T239 WeakPolarHBondContact O-CB 3.35Å; I235-T239 PolarHBondContact O-N 3.36Å; I235-T239 PolarHBondContact O-OG1 3.05Å; I236-T239 WeakPolarHBondContact O-CB 2.88Å; I236-T239 PolarHBondContact O-N 3.24Å; E237-T239 VanDerWaalsContact C-N 3.31Å; E237-T239 PolarHBondContact O-N 3.41Å; T239-L243 HydrophobicContact CG2-CD1 4.41Å; T239-L243 WeakPolarHBondContact O-CD1 3.4Å; T239-L243 VanDerWaalsContact O-CG 3.3Å; T239-L243 WeakPolarHBondContact O-CG 3.39Å; T239-L243 PolarHBondContact O-N 3.33Å; T239-L243 VanDerWaalsContact O-N 3.15Å; T239-R262 HydrophobicContact CG2-CB 4.19Å; T239-F263 HydrophobicContact CG2-CD1 4.31Å; T239-F263 HydrophobicContact CG2-CD2 4Å; T239-F263 HydrophobicContact CG2-CE1 4.38Å; T239-F263 HydrophobicContact CG2-CE2 4.12Å; T239-F263 HydrophobicContact CG2-CG 4.15Å; T239-F263 HydrophobicContact CG2-CZ 4.31Å
240	I	88.1	Confident	82.5	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.062	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-48.1	175.3	-66.3	157.2	0	0	0	110.5	I236 E237 R238 E242 L243 L244 F263 H301 L305	I236-I240 HydrophobicContact CG2-CD1 3.57Å; I236-I240 HydrophobicContact CG2-CG1 4.39Å; I236-I240 WeakPolarHBondContact O-CD1 3.42Å; I236-I240 VanDerWaalsContact O-CG1 3.28Å; I236-I240 WeakPolarHBondContact O-CG1 3.25Å; I236-I240 PolarHBondContact O-N 3.32Å; E237-I240 WeakPolarHBondContact O-CB 3.26Å; E237-I240 PolarHBondContact O-N 3.21Å; R238-I240 VanDerWaalsContact C-N 3.3Å; R238-I240 PolarHBondContact O-N 3.21Å; I240-E242 VanDerWaalsContact C-N 3.33Å; I240-E242 PolarHBondContact O-N 2.86Å; I240-L243 CarbonylContact O-C 3.26Å; I240-L243 WeakPolarHBondContact O-CA 3.23Å; I240-L243 WeakPolarHBondContact O-CB 3.47Å; I240-L243 PolarHBondContact O-N 2.98Å; I240-L244 HydrophobicContact CG2-CD1 3.82Å; I240-L244 HydrophobicContact CG2-CG 4.29Å; I240-L244 WeakPolarHBondContact O-CG 3.4Å; I240-L244 PolarHBondContact O-N 3.3Å; I240-F263 HydrophobicContact CG1-CZ 3.85Å; I240-H301 HydrophobicContact CD1-CB 3.38Å; I240-H301 HydrophobicContact CG1-CB 4.49Å; I240-L305 HydrophobicContact CG1-CD1 3.95Å; I240-L305 HydrophobicContact CG2-CD1 4.19Å; I240-L305 HydrophobicContact CG2-CD2 4.38Å
241	N	86.8	Confident	81	Confident	75 Å²	75	64.9 Å²	64.9	40%	0.401	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-41.8	178.8	-68.3	-23.3	0	0	0	111.5	E237 R238 L243 L244 E245	E237-N241 VanDerWaalsContact O-CG 3.28Å; E237-N241 PolarHBondContact O-N 3.32Å; E237-N241 PolarHBondContact O-ND2 2.95Å; R238-N241 PolarHBondContact O-N 3.34Å; N241-L243 PolarHBondContact O-N 3.12Å; N241-L244 PolarHBondContact O-N 2.89Å; N241-E245 WeakPolarHBondContact O-CG 3.17Å; N241-E245 PolarHBondContact O-N 3.04Å
242	E	85.6	Confident	79.6	Confident	55 Å²	55	67.4 Å²	67.4	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-60.2	-32.9	173.2	-74	174.3	-168.8	0	0	112.3	R238 I240 L246	R238-E242 HydrophobicContact CG-CG 4.48Å; R238-E242 WeakPolarHBondContact CG-OE1 3.4Å; R238-E242 IonicContact CZ-OE1 3.58Å; R238-E242 IonicContact NE-OE1 2.87Å; R238-E242 PolarHBondContact NE-OE1 3.01Å; R238-E242 IonicContact NH2-OE1 3.63Å; R238-E242 PolarHBondContact NH2-OE1 3.49Å; R238-E242 WeakPolarHBondContact O-CB 3.24Å; R238-E242 VanDerWaalsContact O-CG 3.28Å; R238-E242 WeakPolarHBondContact O-CG 3.36Å; R238-E242 PolarHBondContact O-N 3.38Å; I240-E242 VanDerWaalsContact C-N 3.33Å; I240-E242 PolarHBondContact O-N 2.86Å; E242-L246 WeakPolarHBondContact O-CD1 3.38Å; E242-L246 VanDerWaalsContact O-CG 3.25Å; E242-L246 WeakPolarHBondContact O-CG 3.37Å
243	L	83	Confident	78	Confident	5 Å²	5	75.1 Å²	75.1	3%	0.026	38%	0.381	C	S	.	.	H	α-helix	trans	-78.5	-36.1	176.3	-73.5	166.7	0	0	0	112.8	T239 I240 N241 L246 H247 L258 R262 F263	T239-L243 HydrophobicContact CG2-CD1 4.41Å; T239-L243 WeakPolarHBondContact O-CD1 3.4Å; T239-L243 VanDerWaalsContact O-CG 3.3Å; T239-L243 WeakPolarHBondContact O-CG 3.39Å; T239-L243 PolarHBondContact O-N 3.33Å; T239-L243 VanDerWaalsContact O-N 3.15Å; I240-L243 CarbonylContact O-C 3.26Å; I240-L243 WeakPolarHBondContact O-CA 3.23Å; I240-L243 WeakPolarHBondContact O-CB 3.47Å; I240-L243 PolarHBondContact O-N 2.98Å; N241-L243 PolarHBondContact O-N 3.12Å; L243-L246 PolarHBondContact O-N 3.29Å; L243-H247 PolarHBondContact O-N 3.09Å; L243-L258 HydrophobicContact CD2-CB 4.36Å; L243-R262 HydrophobicContact CD2-CB 4.21Å; L243-R262 HydrophobicContact CD2-CG 3.99Å; L243-F263 HydrophobicContact CD1-CD2 3.75Å; L243-F263 HydrophobicContact CD1-CE2 3.33Å; L243-F263 HydrophobicContact CD1-CZ 4.39Å
244	L	78.6	Confident	76.8	Confident	92 Å²	92	77.8 Å²	77.8	48%	0.482	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-38.4	175.8	-72.6	169.4	0	0	0	111.5	I240 N241 L246 H247 L305	I240-L244 HydrophobicContact CG2-CD1 3.82Å; I240-L244 HydrophobicContact CG2-CG 4.29Å; I240-L244 WeakPolarHBondContact O-CG 3.4Å; I240-L244 PolarHBondContact O-N 3.3Å; N241-L244 PolarHBondContact O-N 2.89Å; L244-L246 PolarHBondContact O-N 2.8Å; L244-H247 VanDerWaalsContact O-CB 3.22Å; L244-H247 WeakPolarHBondContact O-CB 3.47Å; L244-H247 PolarHBondContact O-N 3.46Å; L244-L305 HydrophobicContact CD2-CD2 4.24Å
245	E	78.4	Confident	75.7	Confident	161 Å²	161	74 Å²	74	75%	0.752	38%	0.375	S	S	*	.	H	α-helix	trans	-65.4	-26.8	174	-73.2	177.9	-176.3	0	0	112.9	N241	N241-E245 WeakPolarHBondContact O-CG 3.17Å; N241-E245 PolarHBondContact O-N 3.04Å
246	L	73.1	Confident	74.7	Confident	63 Å²	63	76 Å²	76	33%	0.33	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4.8	178.1	-68	172.4	0	0	0	113.4	E242 L243 L244 D248 V249	E242-L246 WeakPolarHBondContact O-CD1 3.38Å; E242-L246 VanDerWaalsContact O-CG 3.25Å; E242-L246 WeakPolarHBondContact O-CG 3.37Å; L243-L246 PolarHBondContact O-N 3.29Å; L244-L246 PolarHBondContact O-N 2.8Å; L246-D248 PolarHBondContact O-N 2.87Å; L246-D248 VanDerWaalsContact O-N 3.15Å; L246-V249 PolarHBondContact O-N 3.15Å
247	H	63.8	Low	73.8	Confident	123 Å²	123	81.7 Å²	81.7	57%	0.569	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-55.7	-36	-171.3	-166.3	74.2	0	0	0	113.5	L243 L244 V249 I250	L243-H247 PolarHBondContact O-N 3.09Å; L244-H247 VanDerWaalsContact O-CB 3.22Å; L244-H247 WeakPolarHBondContact O-CB 3.47Å; L244-H247 PolarHBondContact O-N 3.46Å; H247-V249 PolarHBondContact O-N 3.04Å; H247-V249 VanDerWaalsContact O-N 3.1Å; H247-I250 HydrophobicContact CB-CD1 4.48Å; H247-I250 WeakPolarHBondContact O-CB 3.38Å; H247-I250 PolarHBondContact O-N 3.4Å; H247-I250 VanDerWaalsContact O-N 3.11Å
248	D	58.8	Low	73.1	Confident	166 Å²	166	79.1 Å²	79.1	89%	0.888	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-62.9	-17.4	177.4	-73.7	-16.1	0	0	0	114	L246	L246-D248 PolarHBondContact O-N 2.87Å; L246-D248 VanDerWaalsContact O-N 3.15Å
249	V	59.7	Low	72.6	Confident	93 Å²	93	71.6 Å²	71.6	56%	0.564	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-100.3	-4.1	-178.5	-167.7	0	0	0	0	112	L246 H247 S251	L246-V249 PolarHBondContact O-N 3.15Å; H247-V249 PolarHBondContact O-N 3.04Å; H247-V249 VanDerWaalsContact O-N 3.1Å; V249-S251 VanDerWaalsContact C-N 3.3Å; V249-S251 PolarHBondContact O-N 2.75Å
250	I	57.5	Low	72.5	Confident	47 Å²	47	71.9 Å²	71.9	24%	0.241	37%	0.373	C	S	.	.			trans	-76.8	81.6	-178.2	-57	-179.1	0	0	0	109.4	H247 S255 L258	H247-I250 HydrophobicContact CB-CD1 4.48Å; H247-I250 WeakPolarHBondContact O-CB 3.38Å; H247-I250 PolarHBondContact O-N 3.4Å; H247-I250 VanDerWaalsContact O-N 3.11Å; I250-S255 VanDerWaalsContact CG2-CB 3.49Å; I250-L258 HydrophobicContact CG1-CD1 4.41Å
251	S	60.6	Low	72.4	Confident	42 Å²	42	73.1 Å²	73.1	29%	0.294	39%	0.389	S	S	.	.			trans	-65.9	147.1	159.1	169.6	0	0	0	0	109.4	V249 E253 N254 S255	V249-S251 VanDerWaalsContact C-N 3.3Å; V249-S251 PolarHBondContact O-N 2.75Å; S251-E253 PolarHBondContact O-N 3.47Å; S251-E253 VanDerWaalsContact O-N 3.08Å; S251-E253 PolarHBondContact OG-N 3.44Å; S251-N254 PolarHBondContact O-N 3.08Å; S251-S255 PolarHBondContact O-N 3.01Å
252	P	61.1	Low	72.4	Confident	94 Å²	94	75 Å²	75	61%	0.61	39%	0.391	S	S	*	.	H	α-helix	trans	-48.9	-36	173.1	18	-32	0	0	0	112.6	S255	P252-S255 PolarHBondContact O-OG 2.97Å
253	E	60	Low	72.6	Confident	161 Å²	161	72.6 Å²	72.6	75%	0.752	38%	0.379	S	S	*	.	H	α-helix	trans	-72.3	-30	178.7	-75.9	152.7	157.7	0	0	113.9	S251	S251-E253 PolarHBondContact O-N 3.47Å; S251-E253 VanDerWaalsContact O-N 3.08Å; S251-E253 PolarHBondContact OG-N 3.44Å
254	N	68	Low	73	Confident	76 Å²	76	76.7 Å²	76.7	41%	0.406	39%	0.394	S	S	.	.	H	α-helix	trans	-95.6	-15.2	-179.6	-70.3	-19.3	0	0	0	113.1	S251 F256 I257 L258	S251-N254 PolarHBondContact O-N 3.08Å; N254-F256 PolarHBondContact O-N 3.44Å; N254-I257 PolarHBondContact O-N 3.47Å; N254-L258 HydrophobicContact CB-CD1 4.33Å; N254-L258 WeakPolarHBondContact O-CG 3.32Å; N254-L258 PolarHBondContact O-N 3.41Å
255	S	69.4	Low	73.5	Confident	6 Å²	6	75.6 Å²	75.6	4%	0.042	40%	0.395	C	S	.	.	H	α-helix	trans	-54	-51.5	-174.4	66.1	0	0	0	0	112.5	I250 S251 P252 I257 L258 L259	I250-S255 VanDerWaalsContact CG2-CB 3.49Å; S251-S255 PolarHBondContact O-N 3.01Å; P252-S255 PolarHBondContact O-OG 2.97Å; S255-I257 PolarHBondContact O-N 3.43Å; S255-L258 PolarHBondContact O-N 3.02Å; S255-L259 WeakPolarHBondContact O-CB 3.43Å; S255-L259 WeakPolarHBondContact O-CD1 3.21Å; S255-L259 WeakPolarHBondContact O-CG 3.47Å; S255-L259 PolarHBondContact O-N 3.49Å
256	F	70.8	Confident	74	Confident	64 Å²	64	69.5 Å²	69.5	28%	0.281	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-43.6	178.9	-74.9	-87.4	0	0	0	112.4	N254 L258 Y260 F335 M339	N254-F256 PolarHBondContact O-N 3.44Å; F256-L258 VanDerWaalsContact C-N 3.31Å; F256-L258 PolarHBondContact O-N 3.18Å; F256-Y260 HydrophobicContact CB-CD2 4.36Å; F256-Y260 AromaticContact CD1-CD2 3.99Å; F256-Y260 HydrophobicContact CD1-CD2 3.99Å; F256-Y260 AromaticContact CD1-CE2 3.5Å; F256-Y260 HydrophobicContact CD1-CE2 3.5Å; F256-Y260 VanDerWaalsContact CD1-CE2 3.5Å; F256-Y260 HydrophobicContact CE1-CE2 4.01Å; F256-Y260 HydrophobicContact CG-CE2 4.48Å; F256-Y260 WeakPolarHBondContact O-CB 3.36Å; F256-Y260 VanDerWaalsContact O-CD2 3.26Å; F256-Y260 WeakPolarHBondContact O-CD2 3.46Å; F256-Y260 PolarHBondContact O-N 3.09Å; F256-F335 HydrophobicContact CE2-CE2 4.03Å; F256-F335 AromaticContact CZ-CE2 3.65Å; F256-F335 HydrophobicContact CZ-CE2 3.65Å; F256-F335 HydrophobicContact CZ-CZ 4.23Å; F256-M339 HydrophobicContact CE1-CG 3.93Å; F256-M339 HydrophobicContact CZ-CG 4.04Å; F256-M339 HydrophobicContact CZ-SD 4.31Å
257	I	74.7	Confident	74.8	Confident	122 Å²	122	66.7 Å²	66.7	63%	0.626	35%	0.353	S	S	*	.	H	α-helix	trans	-63.2	-41.3	-178.9	-60.5	174.7	0	0	0	110.5	N254 S255 G261	N254-I257 PolarHBondContact O-N 3.47Å; S255-I257 PolarHBondContact O-N 3.43Å; I257-G261 WeakPolarHBondContact O-CA 3.42Å; I257-G261 PolarHBondContact O-N 3.15Å
258	L	77.3	Confident	76.1	Confident	37 Å²	37	65.5 Å²	65.5	19%	0.194	36%	0.356	C	S	.	.	H	α-helix	trans	-73.7	-49.3	179	-67.6	171.1	0	0	0	111.8	L243 I250 N254 S255 F256 Y260 R262	L243-L258 HydrophobicContact CD2-CB 4.36Å; I250-L258 HydrophobicContact CG1-CD1 4.41Å; N254-L258 HydrophobicContact CB-CD1 4.33Å; N254-L258 WeakPolarHBondContact O-CG 3.32Å; N254-L258 PolarHBondContact O-N 3.41Å; S255-L258 PolarHBondContact O-N 3.02Å; F256-L258 VanDerWaalsContact C-N 3.31Å; F256-L258 PolarHBondContact O-N 3.18Å; L258-Y260 PolarHBondContact O-N 3.23Å; L258-R262 WeakPolarHBondContact O-CB 3.24Å; L258-R262 WeakPolarHBondContact O-CG 3.5Å; L258-R262 PolarHBondContact O-N 2.88Å
259	L	80.5	Confident	77.6	Confident	6 Å²	6	63.2 Å²	63.2	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-36.6	-176.8	-74.1	166.6	0	0	0	113.2	S255 F263 R302 V309	S255-L259 WeakPolarHBondContact O-CB 3.43Å; S255-L259 WeakPolarHBondContact O-CD1 3.21Å; S255-L259 WeakPolarHBondContact O-CG 3.47Å; S255-L259 PolarHBondContact O-N 3.49Å; L259-F263 VanDerWaalsContact O-CD2 3.22Å; L259-F263 WeakPolarHBondContact O-CD2 3.41Å; L259-R302 PolarHBondContact O-NH1 2.86Å; L259-V309 HydrophobicContact CD1-CG1 4.31Å; L259-V309 HydrophobicContact CD1-CG2 4.06Å
260	Y	87.2	Confident	79.1	Confident	9 Å²	9	58.8 Å²	58.8	4%	0.035	31%	0.311	C	S	.	.	H	α-helix	trans	-94.7	-42.4	178	-67.5	-78.9	0	0	0	111.8	F256 L258 R262 F263 R264 D342 E343 L346	F256-Y260 HydrophobicContact CB-CD2 4.36Å; F256-Y260 AromaticContact CD1-CD2 3.99Å; F256-Y260 HydrophobicContact CD1-CD2 3.99Å; F256-Y260 AromaticContact CD1-CE2 3.5Å; F256-Y260 HydrophobicContact CD1-CE2 3.5Å; F256-Y260 VanDerWaalsContact CD1-CE2 3.5Å; F256-Y260 HydrophobicContact CE1-CE2 4.01Å; F256-Y260 HydrophobicContact CG-CE2 4.48Å; F256-Y260 WeakPolarHBondContact O-CB 3.36Å; F256-Y260 VanDerWaalsContact O-CD2 3.26Å; F256-Y260 WeakPolarHBondContact O-CD2 3.46Å; F256-Y260 PolarHBondContact O-N 3.09Å; L258-Y260 PolarHBondContact O-N 3.23Å; Y260-R262 PolarHBondContact O-N 3.07Å; Y260-F263 PolarHBondContact O-N 3.22Å; Y260-R264 WeakPolarHBondContact O-CB 3.16Å; Y260-R264 WeakPolarHBondContact O-CG 3.29Å; Y260-R264 PolarHBondContact O-N 3.27Å; Y260-D342 HydrophobicContact CD1-CB 4.26Å; Y260-D342 HydrophobicContact CE1-CB 3.65Å; Y260-D342 HydrophobicContact CE2-CB 4.27Å; Y260-E343 WeakPolarHBondContact CE1-OE1 3.33Å; Y260-E343 PolarHBondContact OH-OE1 3.5Å; Y260-L346 HydrophobicContact CD1-CB 4.36Å; Y260-L346 HydrophobicContact CD1-CD2 3.92Å; Y260-L346 HydrophobicContact CE1-CD2 4.27Å
261	G	86.1	Confident	80.8	Confident	38 Å²	38	60.1 Å²	60.1	39%	0.392	31%	0.313	S	S	.	.	H	α-helix	trans	-60	-42.5	-175.8	0	0	0	0	0	113.3	I257 R264 S265	I257-G261 WeakPolarHBondContact O-CA 3.42Å; I257-G261 PolarHBondContact O-N 3.15Å; G261-R264 PolarHBondContact O-N 2.7Å; G261-S265 PolarHBondContact O-N 3.34Å; G261-S265 VanDerWaalsContact O-N 3.09Å
262	R	85.3	Confident	82.3	Confident	116 Å²	116	60 Å²	60	44%	0.438	31%	0.312	S	S	.	.	H	α-helix	trans	-66.8	-46.6	179.1	-68.6	-68.6	-178.5	175.3	0.2	112.2	T239 L243 L258 Y260 S265	T239-R262 HydrophobicContact CG2-CB 4.19Å; L243-R262 HydrophobicContact CD2-CB 4.21Å; L243-R262 HydrophobicContact CD2-CG 3.99Å; L258-R262 WeakPolarHBondContact O-CB 3.24Å; L258-R262 WeakPolarHBondContact O-CG 3.5Å; L258-R262 PolarHBondContact O-N 2.88Å; Y260-R262 PolarHBondContact O-N 3.07Å; R262-S265 WeakPolarHBondContact O-CB 3.33Å; R262-S265 PolarHBondContact O-N 3.44Å; R262-S265 PolarHBondContact O-OG 2.79Å
263	F	90.6	Very high	83.7	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-44	176.1	-86.1	-88.4	0	0	0	111.9	I236 T239 I240 L243 L259 Y260 S265 Q266 G267 Y298 L305 L346 F350	I236-F263 HydrophobicContact CG2-CE1 4.43Å; T239-F263 HydrophobicContact CG2-CD1 4.31Å; T239-F263 HydrophobicContact CG2-CD2 4Å; T239-F263 HydrophobicContact CG2-CE1 4.38Å; T239-F263 HydrophobicContact CG2-CE2 4.12Å; T239-F263 HydrophobicContact CG2-CG 4.15Å; T239-F263 HydrophobicContact CG2-CZ 4.31Å; I240-F263 HydrophobicContact CG1-CZ 3.85Å; L243-F263 HydrophobicContact CD1-CD2 3.75Å; L243-F263 HydrophobicContact CD1-CE2 3.33Å; L243-F263 HydrophobicContact CD1-CZ 4.39Å; L259-F263 VanDerWaalsContact O-CD2 3.22Å; L259-F263 WeakPolarHBondContact O-CD2 3.41Å; Y260-F263 PolarHBondContact O-N 3.22Å; F263-S265 PolarHBondContact O-N 2.86Å; F263-Q266 PolarHBondContact O-N 3.32Å; F263-Q266 VanDerWaalsContact O-N 3.07Å; F263-G267 PolarHBondContact O-N 2.63Å; F263-Y298 HydrophobicContact CD1-CE2 4.18Å; F263-Y298 HydrophobicContact CE1-CE2 4.2Å; F263-L305 HydrophobicContact CE2-CD1 4.2Å; F263-L305 HydrophobicContact CZ-CD1 4.25Å; F263-L346 HydrophobicContact CB-CD1 4.03Å; F263-L346 HydrophobicContact CB-CD2 3.87Å; F263-L346 HydrophobicContact CG-CD2 4.37Å; F263-F350 HydrophobicContact CB-CZ 4.03Å; F263-F350 HydrophobicContact CD1-CE2 4.34Å; F263-F350 HydrophobicContact CD1-CZ 4.16Å; F263-F350 WeakPolarHBondContact O-CE1 3.12Å; F263-F350 WeakPolarHBondContact O-CZ 3.31Å
264	R	91.2	Very high	85.2	Confident	91 Å²	91	48.1 Å²	48.1	34%	0.343	25%	0.249	S	C	.	.	H	α-helix	trans	-57.4	-35.7	175.7	-72.2	-175.7	-178.6	173.4	6.9	112.2	Y260 G261 Q266 G267 D342 L346	Y260-R264 WeakPolarHBondContact O-CB 3.16Å; Y260-R264 WeakPolarHBondContact O-CG 3.29Å; Y260-R264 PolarHBondContact O-N 3.27Å; G261-R264 PolarHBondContact O-N 2.7Å; R264-Q266 VanDerWaalsContact C-N 3.27Å; R264-Q266 PolarHBondContact O-N 3.06Å; R264-G267 PolarHBondContact O-N 3.2Å; R264-D342 IonicContact NH2-OD1 3.41Å; R264-D342 PolarHBondContact NH2-OD1 2.91Å; R264-L346 HydrophobicContact CG-CD1 3.66Å
265	S	89.5	Confident	86.4	Confident	70 Å²	70	45.9 Å²	45.9	49%	0.49	24%	0.238	S	C	.	.	H	α-helix	trans	-64.2	-28.8	178.4	79.6	0	0	0	0	113.9	G261 R262 F263	G261-S265 PolarHBondContact O-N 3.34Å; G261-S265 VanDerWaalsContact O-N 3.09Å; R262-S265 WeakPolarHBondContact O-CB 3.33Å; R262-S265 PolarHBondContact O-N 3.44Å; R262-S265 PolarHBondContact O-OG 2.79Å; F263-S265 PolarHBondContact O-N 2.86Å
266	Q	89.9	Confident	87.4	Confident	33 Å²	33	45.9 Å²	45.9	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-89.5	-6.8	174.8	-54	-58.1	-19.5	0	0	112.9	I235 F263 R264 K269 I270	I235-Q266 HydrophobicContact CG2-CB 3.78Å; I235-Q266 HydrophobicContact CG2-CG 3.97Å; F263-Q266 PolarHBondContact O-N 3.32Å; F263-Q266 VanDerWaalsContact O-N 3.07Å; R264-Q266 VanDerWaalsContact C-N 3.27Å; R264-Q266 PolarHBondContact O-N 3.06Å; Q266-K269 PolarHBondContact O-N 3.46Å; Q266-K269 VanDerWaalsContact O-N 3.12Å; Q266-I270 HydrophobicContact CB-CD1 4.43Å; Q266-I270 PolarHBondContact O-N 2.94Å
267	G	89.7	Confident	88.4	Confident	4 Å²	4	42.9 Å²	42.9	4%	0.041	22%	0.224	C	C	.	.	H	α-helix	trans	-41.3	-60.2	177.1	0	0	0	0	0	114.9	F263 R264 K269 I270 R271	F263-G267 PolarHBondContact O-N 2.63Å; R264-G267 PolarHBondContact O-N 3.2Å; G267-K269 VanDerWaalsContact C-N 3.25Å; G267-K269 PolarHBondContact O-N 3.22Å; G267-I270 PolarHBondContact O-N 3.42Å; G267-R271 VanDerWaalsContact O-CB 3.25Å; G267-R271 WeakPolarHBondContact O-CB 3.2Å; G267-R271 PolarHBondContact O-N 3.35Å
268	P	90.2	Very high	89.2	Confident	98 Å²	98	38.3 Å²	38.3	64%	0.636	20%	0.2	S	C	*	.	H	α-helix	trans	-58.8	-35.5	-176.6	-26	35	0	0	0	113.4	S272	P268-S272 WeakPolarHBondContact O-CB 3.35Å; P268-S272 PolarHBondContact O-N 3.06Å
269	K	89.8	Confident	89.8	Confident	117 Å²	117	43.3 Å²	43.3	51%	0.509	22%	0.22	S	C	.	.	H	α-helix	trans	-69.5	-51	-179.4	-63.8	-179.8	-170.9	161	0	111.1	I235 Q266 G267 S272 L273	I235-K269 HydrophobicContact CD1-CB 4.42Å; Q266-K269 PolarHBondContact O-N 3.46Å; Q266-K269 VanDerWaalsContact O-N 3.12Å; G267-K269 VanDerWaalsContact C-N 3.25Å; G267-K269 PolarHBondContact O-N 3.22Å; K269-S272 PolarHBondContact O-N 3.26Å; K269-S272 PolarHBondContact O-OG 3.15Å; K269-L273 PolarHBondContact O-N 3.19Å
270	I	92.6	Very high	90.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-48.4	178.8	-64.1	171.9	0	0	0	109.9	V232 I235 I236 Q266 G267 S272 L273 M274 F350	V232-I270 HydrophobicContact CG1-CG2 4.07Å; I235-I270 HydrophobicContact CG2-CD1 4.01Å; I235-I270 HydrophobicContact CG2-CG1 4.07Å; I236-I270 HydrophobicContact CG1-CD1 3.96Å; Q266-I270 HydrophobicContact CB-CD1 4.43Å; Q266-I270 PolarHBondContact O-N 2.94Å; G267-I270 PolarHBondContact O-N 3.42Å; I270-S272 VanDerWaalsContact C-N 3.27Å; I270-S272 PolarHBondContact O-N 3.03Å; I270-L273 PolarHBondContact O-N 2.82Å; I270-L273 VanDerWaalsContact O-N 3.11Å; I270-M274 HydrophobicContact CG2-CG 3.98Å; I270-M274 WeakPolarHBondContact O-CG 3.4Å; I270-M274 PolarHBondContact O-N 3.39Å; I270-F350 HydrophobicContact CB-CD1 3.91Å; I270-F350 HydrophobicContact CB-CE1 4.49Å; I270-F350 HydrophobicContact CD1-CD1 3.92Å; I270-F350 HydrophobicContact CD1-CE1 3.8Å; I270-F350 HydrophobicContact CD1-CZ 4.45Å; I270-F350 HydrophobicContact CG1-CD1 4.48Å; I270-F350 HydrophobicContact CG2-CB 4.02Å; I270-F350 HydrophobicContact CG2-CD1 4.02Å; I270-F350 HydrophobicContact CG2-CG 4.3Å
271	R	92.2	Very high	90.3	Very high	74 Å²	74	46.1 Å²	46.1	28%	0.279	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-39.9	179	-172.9	61.5	171.8	158.4	2.4	112.2	G267 L273 M274 T275 E278 Q349 F350 S352	G267-R271 VanDerWaalsContact O-CB 3.25Å; G267-R271 WeakPolarHBondContact O-CB 3.2Å; G267-R271 PolarHBondContact O-N 3.35Å; R271-L273 PolarHBondContact O-N 3.22Å; R271-M274 PolarHBondContact O-N 3.07Å; R271-T275 VanDerWaalsContact O-CB 3.28Å; R271-T275 WeakPolarHBondContact O-CB 3.46Å; R271-T275 PolarHBondContact O-N 3.39Å; R271-T275 PolarHBondContact O-OG1 3.26Å; R271-E278 IonicContact CZ-OE2 2.95Å; R271-E278 IonicContact NH1-OE1 2.66Å; R271-E278 PolarHBondContact NH1-OE1 2.81Å; R271-E278 IonicContact NH1-OE2 3.85Å; R271-E278 PolarHBondContact NH1-OE2 2.93Å; R271-E278 IonicContact NH2-OE2 3.67Å; R271-Q349 WeakPolarHBondContact CD-O 3.41Å; R271-F350 VanDerWaalsContact CD-O 3.23Å; R271-F350 WeakPolarHBondContact CD-O 3.36Å; R271-S352 VanDerWaalsContact NH1-N 3.11Å
272	S	91.5	Very high	90.3	Very high	39 Å²	39	52 Å²	52	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-34.4	-179.9	80	0	0	0	0	112.9	R184 P268 K269 I270	R184-S272 WeakPolarHBondContact CD-O 3Å; P268-S272 WeakPolarHBondContact O-CB 3.35Å; P268-S272 PolarHBondContact O-N 3.06Å; K269-S272 PolarHBondContact O-N 3.26Å; K269-S272 PolarHBondContact O-OG 3.15Å; I270-S272 VanDerWaalsContact C-N 3.27Å; I270-S272 PolarHBondContact O-N 3.03Å
273	L	91.5	Very high	90.4	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-83.4	-48.5	177.3	-65.2	179.5	0	0	0	111.5	V182 L187 I228 N231 V232 K269 I270 R271 T275 L276	V182-L273 HydrophobicContact CG1-CD1 4.36Å; V182-L273 HydrophobicContact CG1-CD2 4.36Å; L187-L273 HydrophobicContact CD1-CD2 3.96Å; I228-L273 HydrophobicContact CG2-CB 4.17Å; N231-L273 HydrophobicContact CB-CD1 4.38Å; V232-L273 HydrophobicContact CG2-CB 4.29Å; V232-L273 HydrophobicContact CG2-CD1 3.99Å; K269-L273 PolarHBondContact O-N 3.19Å; I270-L273 PolarHBondContact O-N 2.82Å; I270-L273 VanDerWaalsContact O-N 3.11Å; R271-L273 PolarHBondContact O-N 3.22Å; L273-T275 VanDerWaalsContact C-N 3.29Å; L273-T275 PolarHBondContact O-N 3.28Å; L273-L276 VanDerWaalsContact O-CB 3.29Å; L273-L276 WeakPolarHBondContact O-CB 3.29Å; L273-L276 PolarHBondContact O-N 3.34Å
274	M	92.1	Very high	90.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-37	-179.2	-69	-53.2	-60.5	0	0	112.5	V232 I270 R271 L276 L277 E278 I291 C294 F351	V232-M274 HydrophobicContact CG2-SD 4.41Å; I270-M274 HydrophobicContact CG2-CG 3.98Å; I270-M274 WeakPolarHBondContact O-CG 3.4Å; I270-M274 PolarHBondContact O-N 3.39Å; R271-M274 PolarHBondContact O-N 3.07Å; M274-L276 PolarHBondContact O-N 3.46Å; M274-L277 HydrophobicContact CE-CD1 4.28Å; M274-L277 PolarHBondContact O-N 3.05Å; M274-L277 HydrophobicContact SD-CD1 4.12Å; M274-E278 WeakPolarHBondContact O-CB 3.35Å; M274-E278 VanDerWaalsContact O-CG 3.31Å; M274-E278 WeakPolarHBondContact O-CG 3.42Å; M274-E278 PolarHBondContact O-N 3.41Å; M274-I291 HydrophobicContact CE-CB 4.18Å; M274-I291 HydrophobicContact CE-CG1 3.82Å; M274-I291 HydrophobicContact CE-CG2 4.03Å; M274-C294 HydrophobicContact CE-CB 4.23Å; M274-C294 HydrophobicContact SD-CB 4.22Å; M274-F351 HydrophobicContact CB-CD1 4.38Å; M274-F351 HydrophobicContact CE-CD1 3.72Å; M274-F351 HydrophobicContact CE-CE1 3.72Å; M274-F351 HydrophobicContact CG-CD1 3.85Å; M274-F351 HydrophobicContact CG-CE1 3.71Å; M274-F351 HydrophobicContact SD-CD1 4.36Å; M274-F351 HydrophobicContact SD-CE1 3.96Å
275	T	91.9	Very high	90.1	Very high	29 Å²	29	50.5 Å²	50.5	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-27.1	176.6	-54.4	0	0	0	0	112.5	R271 L273 K279	R271-T275 VanDerWaalsContact O-CB 3.28Å; R271-T275 WeakPolarHBondContact O-CB 3.46Å; R271-T275 PolarHBondContact O-N 3.39Å; R271-T275 PolarHBondContact O-OG1 3.26Å; L273-T275 VanDerWaalsContact C-N 3.29Å; L273-T275 PolarHBondContact O-N 3.28Å; T275-K279 HydrophobicContact CG2-CD 4.25Å; T275-K279 HydrophobicContact CG2-CG 4.46Å; T275-K279 VanDerWaalsContact O-CG 3.32Å; T275-K279 WeakPolarHBondContact O-CG 3.24Å; T275-K279 PolarHBondContact O-N 2.59Å
276	L	90.6	Very high	90.2	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-42.4	174.4	-64.5	177.1	0	0	0	111.2	R184 L187 L188 L191 L273 M274 R280	R184-L276 HydrophobicContact CG-CD1 4.09Å; R184-L276 HydrophobicContact CG-CD2 4.28Å; R184-L276 HydrophobicContact CG-CG 4.36Å; L187-L276 HydrophobicContact CB-CD1 4.19Å; L188-L276 HydrophobicContact CB-CD2 4.31Å; L188-L276 HydrophobicContact CD1-CD2 3.61Å; L191-L276 HydrophobicContact CD1-CB 4.3Å; L191-L276 HydrophobicContact CD1-CD1 4.42Å; L273-L276 VanDerWaalsContact O-CB 3.29Å; L273-L276 WeakPolarHBondContact O-CB 3.29Å; L273-L276 PolarHBondContact O-N 3.34Å; M274-L276 PolarHBondContact O-N 3.46Å; L276-R280 WeakPolarHBondContact O-CD 3.35Å; L276-R280 WeakPolarHBondContact O-CG 3.15Å
277	L	91.8	Very high	90.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.5	-46.6	178.7	-52.6	-177.4	0	0	0	110.5	L225 I228 M274 K279 R280 I281 Y287 V290 I291	L225-L277 HydrophobicContact CD2-CD2 3.47Å; L225-L277 VanDerWaalsContact CD2-CD2 3.47Å; I228-L277 HydrophobicContact CD1-CD2 3.82Å; I228-L277 HydrophobicContact CG2-CD1 3.92Å; I228-L277 HydrophobicContact CG2-CD2 4.44Å; I228-L277 HydrophobicContact CG2-CG 4.35Å; M274-L277 HydrophobicContact CE-CD1 4.28Å; M274-L277 PolarHBondContact O-N 3.05Å; M274-L277 HydrophobicContact SD-CD1 4.12Å; L277-K279 VanDerWaalsContact C-N 3.26Å; L277-K279 PolarHBondContact O-N 3.19Å; L277-R280 PolarHBondContact O-N 3.26Å; L277-I281 PolarHBondContact O-N 2.74Å; L277-Y287 HydrophobicContact CB-CD1 4.47Å; L277-Y287 HydrophobicContact CD2-CD1 3.81Å; L277-Y287 HydrophobicContact CD2-CE1 4.08Å; L277-V290 HydrophobicContact CD1-CG1 4.1Å; L277-I291 HydrophobicContact CB-CD1 3.72Å; L277-I291 HydrophobicContact CB-CG1 3.7Å; L277-I291 HydrophobicContact CD1-CG1 4.09Å
278	E	91.2	Very high	90.3	Very high	27 Å²	27	48.1 Å²	48.1	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-34.6	-176.9	-72.4	171.9	173.2	0	0	113	R271 M274 R280 I281 I291 F351 S352 F355	R271-E278 IonicContact CZ-OE2 2.95Å; R271-E278 IonicContact NH1-OE1 2.66Å; R271-E278 PolarHBondContact NH1-OE1 2.81Å; R271-E278 IonicContact NH1-OE2 3.85Å; R271-E278 PolarHBondContact NH1-OE2 2.93Å; R271-E278 IonicContact NH2-OE2 3.67Å; M274-E278 WeakPolarHBondContact O-CB 3.35Å; M274-E278 VanDerWaalsContact O-CG 3.31Å; M274-E278 WeakPolarHBondContact O-CG 3.42Å; M274-E278 PolarHBondContact O-N 3.41Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.93Å; E278-I281 WeakPolarHBondContact O-CD1 3.33Å; E278-I291 HydrophobicContact CG-CD1 4.31Å; E278-F351 WeakPolarHBondContact OE1-CA 3.43Å; E278-S352 VanDerWaalsContact CD-CB 3.48Å; E278-S352 PolarHBondContact OE1-N 3.09Å; E278-S352 VanDerWaalsContact OE2-CB 3.3Å; E278-S352 WeakPolarHBondContact OE2-CB 3.42Å; E278-F355 HydrophobicContact CG-CE2 4.19Å
279	K	90.2	Very high	90.4	Very high	142 Å²	142	48.6 Å²	48.6	62%	0.617	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.4	176.6	-74.2	-178.3	177.4	-169.2	0	113.8	T275 L277 H282	T275-K279 HydrophobicContact CG2-CD 4.25Å; T275-K279 HydrophobicContact CG2-CG 4.46Å; T275-K279 VanDerWaalsContact O-CG 3.32Å; T275-K279 WeakPolarHBondContact O-CG 3.24Å; T275-K279 PolarHBondContact O-N 2.59Å; L277-K279 VanDerWaalsContact C-N 3.26Å; L277-K279 PolarHBondContact O-N 3.19Å; K279-H282 PolarHBondContact O-CE1 2.99Å; K279-H282 PolarHBondContact O-ND1 3.49Å
280	R	90.9	Very high	90.5	Very high	27 Å²	27	43.7 Å²	43.7	10%	0.102	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	8	-171.2	-63.7	174.1	-169.2	-76.3	-3.1	114	N192 D195 L276 L277 E278 H282 V283 Y287	N192-R280 VanDerWaalsContact OD1-CZ 3.31Å; N192-R280 PolarHBondContact OD1-NH1 2.66Å; N192-R280 PolarHBondContact OD1-NH2 3.39Å; D195-R280 WeakPolarHBondContact OD2-CD 3.25Å; D195-R280 IonicContact OD2-CZ 3.7Å; D195-R280 IonicContact OD2-NE 3.74Å; D195-R280 IonicContact OD2-NH1 2.66Å; D195-R280 PolarHBondContact OD2-NH1 3.39Å; L276-R280 WeakPolarHBondContact O-CD 3.35Å; L276-R280 WeakPolarHBondContact O-CG 3.15Å; L277-R280 PolarHBondContact O-N 3.26Å; E278-R280 VanDerWaalsContact C-N 3.27Å; E278-R280 PolarHBondContact O-N 2.93Å; R280-H282 PolarHBondContact O-N 3.33Å; R280-H282 VanDerWaalsContact O-N 3.08Å; R280-V283 HydrophobicContact CB-CG2 4.29Å; R280-V283 WeakPolarHBondContact O-CB 3.4Å; R280-V283 WeakPolarHBondContact O-CG2 3.32Å; R280-V283 PolarHBondContact O-N 3.24Å; R280-Y287 HydrophobicContact CB-CD1 4.17Å; R280-Y287 HydrophobicContact CB-CD2 3.87Å; R280-Y287 HydrophobicContact CB-CE1 4.05Å; R280-Y287 HydrophobicContact CB-CE2 3.75Å; R280-Y287 HydrophobicContact CB-CG 4.09Å; R280-Y287 VanDerWaalsContact O-CD2 3.25Å; R280-Y287 WeakPolarHBondContact O-CD2 3.45Å
281	I	86.7	Confident	90.4	Very high	46 Å²	46	43.7 Å²	43.7	24%	0.236	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.8	-176.8	-67.2	172.6	0	0	0	113.2	L277 E278 V283 A288 I291 F355	L277-I281 PolarHBondContact O-N 2.74Å; E278-I281 WeakPolarHBondContact O-CD1 3.33Å; I281-V283 VanDerWaalsContact C-N 3.28Å; I281-V283 PolarHBondContact O-N 3.11Å; I281-A288 HydrophobicContact CG2-CB 4.4Å; I281-I291 HydrophobicContact CD1-CD1 3.63Å; I281-I291 HydrophobicContact CG1-CD1 3.61Å; I281-F355 HydrophobicContact CD1-CE1 3.79Å; I281-F355 HydrophobicContact CD1-CE2 3.73Å; I281-F355 HydrophobicContact CD1-CZ 3.06Å
282	H	87.3	Confident	90.4	Very high	163 Å²	163	45.5 Å²	45.5	76%	0.755	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.7	179.9	61.2	-84.3	0	0	0	113.9	K279 R280	K279-H282 PolarHBondContact O-CE1 2.99Å; K279-H282 PolarHBondContact O-ND1 3.49Å; R280-H282 PolarHBondContact O-N 3.33Å; R280-H282 VanDerWaalsContact O-N 3.08Å
283	V	86.9	Confident	90.4	Very high	27 Å²	27	47.7 Å²	47.7	16%	0.164	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-47.3	-177	-173.9	0	0	0	0	110.4	D195 L198 R280 I281 Y287	D195-V283 HydrophobicContact CB-CG1 4.19Å; L198-V283 HydrophobicContact CD2-CG1 4.37Å; R280-V283 HydrophobicContact CB-CG2 4.29Å; R280-V283 WeakPolarHBondContact O-CB 3.4Å; R280-V283 WeakPolarHBondContact O-CG2 3.32Å; R280-V283 PolarHBondContact O-N 3.24Å; I281-V283 VanDerWaalsContact C-N 3.28Å; I281-V283 PolarHBondContact O-N 3.11Å; V283-Y287 HydrophobicContact CB-CD2 4.43Å; V283-Y287 HydrophobicContact CB-CE2 4.16Å
284	T	86.3	Confident	90.5	Very high	20 Å²	20	47.4 Å²	47.4	12%	0.123	23%	0.234	C	C	.	.			trans	-150.1	152.3	177.7	61.8	0	0	0	0	112.7	L198 L221 E286 Y287	L198-T284 HydrophobicContact CD2-CG2 3.12Å; L221-T284 HydrophobicContact CD2-CG2 4.47Å; T284-E286 PolarHBondContact O-N 3.02Å; T284-Y287 PolarHBondContact O-N 3.18Å; T284-Y287 WeakPolarHBondContact OG1-CD2 3.22Å
285	D	89.8	Confident	90.5	Very high	130 Å²	130	47.7 Å²	47.7	70%	0.695	24%	0.236	S	C	*	.	H	α-helix	trans	-64.2	-20.9	172.6	-61.2	-29.4	0	0	0	113	Y287 A288 Q289	D285-Y287 VanDerWaalsContact C-N 3.3Å; D285-Y287 PolarHBondContact O-N 3.43Å; D285-A288 PolarHBondContact O-N 3.36Å; D285-Q289 WeakPolarHBondContact O-CG 3.46Å; D285-Q289 PolarHBondContact O-N 3.37Å
286	E	90.1	Very high	90.4	Very high	28 Å²	28	53.1 Å²	53.1	13%	0.131	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-36.8	179	-61.9	-173.1	169.9	0	0	111.6	K222 L225 T284 Q289 V290	K222-E286 WeakPolarHBondContact CE-OE1 3.48Å; K222-E286 IonicContact NZ-OE1 3.04Å; L225-E286 HydrophobicContact CD1-CB 3.91Å; T284-E286 PolarHBondContact O-N 3.02Å; E286-Q289 PolarHBondContact O-N 3.28Å; E286-V290 WeakPolarHBondContact O-CG2 3.44Å; E286-V290 PolarHBondContact O-N 3.41Å; E286-V290 VanDerWaalsContact O-N 3.15Å
287	Y	92.9	Very high	90.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-45.3	173.7	-72	-67.6	0	0	0	111.5	L191 D195 L221 L225 L277 R280 V283 T284 D285 Q289 V290 I291	L191-Y287 HydrophobicContact CD2-CE1 4.46Å; D195-Y287 PolarHBondContact OD1-OH 2.89Å; D195-Y287 PolarHBondContact OD2-OH 2.96Å; L221-Y287 HydrophobicContact CD1-CE1 4.29Å; L221-Y287 WeakPolarHBondContact CD1-OH 3.37Å; L221-Y287 HydrophobicContact CD2-CE2 4.42Å; L225-Y287 HydrophobicContact CD2-CD1 3.7Å; L225-Y287 HydrophobicContact CD2-CE1 3.66Å; L277-Y287 HydrophobicContact CB-CD1 4.47Å; L277-Y287 HydrophobicContact CD2-CD1 3.81Å; L277-Y287 HydrophobicContact CD2-CE1 4.08Å; R280-Y287 HydrophobicContact CB-CD1 4.17Å; R280-Y287 HydrophobicContact CB-CD2 3.87Å; R280-Y287 HydrophobicContact CB-CE1 4.05Å; R280-Y287 HydrophobicContact CB-CE2 3.75Å; R280-Y287 HydrophobicContact CB-CG 4.09Å; R280-Y287 VanDerWaalsContact O-CD2 3.25Å; R280-Y287 WeakPolarHBondContact O-CD2 3.45Å; V283-Y287 HydrophobicContact CB-CD2 4.43Å; V283-Y287 HydrophobicContact CB-CE2 4.16Å; T284-Y287 PolarHBondContact O-N 3.18Å; T284-Y287 WeakPolarHBondContact OG1-CD2 3.22Å; D285-Y287 VanDerWaalsContact C-N 3.3Å; D285-Y287 PolarHBondContact O-N 3.43Å; Y287-Q289 VanDerWaalsContact C-N 3.35Å; Y287-Q289 PolarHBondContact O-N 2.9Å; Y287-V290 PolarHBondContact O-N 3.17Å; Y287-I291 WeakPolarHBondContact O-CD1 3.5Å; Y287-I291 VanDerWaalsContact O-CG1 3.24Å; Y287-I291 WeakPolarHBondContact O-CG1 3.22Å; Y287-I291 PolarHBondContact O-N 3.03Å; Y287-I291 VanDerWaalsContact O-N 3.08Å
288	A	90	Very high	90.6	Very high	29 Å²	29	55.4 Å²	55.4	24%	0.24	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-39.8	179.4	0	0	0	0	0	112	I281 D285 I291 Q292	I281-A288 HydrophobicContact CG2-CB 4.4Å; D285-A288 PolarHBondContact O-N 3.36Å; A288-I291 PolarHBondContact O-N 2.94Å; A288-Q292 VanDerWaalsContact O-CG 3.32Å; A288-Q292 WeakPolarHBondContact O-CG 3.28Å; A288-Q292 PolarHBondContact O-N 3.22Å
289	Q	91.7	Very high	90.7	Very high	109 Å²	109	54.9 Å²	54.9	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-47.9	177.3	-72	174.5	3.9	0	0	111.8	D285 E286 Y287 I291 Q292 E293	D285-Q289 WeakPolarHBondContact O-CG 3.46Å; D285-Q289 PolarHBondContact O-N 3.37Å; E286-Q289 PolarHBondContact O-N 3.28Å; Y287-Q289 VanDerWaalsContact C-N 3.35Å; Y287-Q289 PolarHBondContact O-N 2.9Å; Q289-I291 VanDerWaalsContact C-N 3.34Å; Q289-I291 PolarHBondContact O-N 3.43Å; Q289-Q292 WeakPolarHBondContact O-CB 3.3Å; Q289-Q292 PolarHBondContact O-N 3.47Å; Q289-E293 WeakPolarHBondContact O-CG 3.45Å; Q289-E293 PolarHBondContact O-N 2.9Å
290	V	91.9	Very high	90.8	Very high	13 Å²	13	53.5 Å²	53.5	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-35.6	-178	174.1	0	0	0	0	111.7	L225 K229 L277 E286 Y287 E293 C294	L225-V290 HydrophobicContact CB-CG2 4.02Å; L225-V290 HydrophobicContact CD1-CG2 4.14Å; K229-V290 HydrophobicContact CB-CG1 4.03Å; L277-V290 HydrophobicContact CD1-CG1 4.1Å; E286-V290 WeakPolarHBondContact O-CG2 3.44Å; E286-V290 PolarHBondContact O-N 3.41Å; E286-V290 VanDerWaalsContact O-N 3.15Å; Y287-V290 PolarHBondContact O-N 3.17Å; V290-E293 PolarHBondContact O-N 2.99Å; V290-C294 PolarHBondContact O-N 3.05Å; V290-C294 PolarHBondContact O-SG 3.35Å
291	I	91.7	Very high	90.8	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-47.7	171.2	-69.6	162.7	0	0	0	110.6	M274 L277 E278 I281 Y287 A288 Q289 E293 C294 H295	M274-I291 HydrophobicContact CE-CB 4.18Å; M274-I291 HydrophobicContact CE-CG1 3.82Å; M274-I291 HydrophobicContact CE-CG2 4.03Å; L277-I291 HydrophobicContact CB-CD1 3.72Å; L277-I291 HydrophobicContact CB-CG1 3.7Å; L277-I291 HydrophobicContact CD1-CG1 4.09Å; E278-I291 HydrophobicContact CG-CD1 4.31Å; I281-I291 HydrophobicContact CD1-CD1 3.63Å; I281-I291 HydrophobicContact CG1-CD1 3.61Å; Y287-I291 WeakPolarHBondContact O-CD1 3.5Å; Y287-I291 VanDerWaalsContact O-CG1 3.24Å; Y287-I291 WeakPolarHBondContact O-CG1 3.22Å; Y287-I291 PolarHBondContact O-N 3.03Å; Y287-I291 VanDerWaalsContact O-N 3.08Å; A288-I291 PolarHBondContact O-N 2.94Å; Q289-I291 VanDerWaalsContact C-N 3.34Å; Q289-I291 PolarHBondContact O-N 3.43Å; I291-E293 VanDerWaalsContact C-N 3.34Å; I291-E293 PolarHBondContact O-N 3.2Å; I291-C294 PolarHBondContact O-N 3.39Å; I291-H295 VanDerWaalsContact CG2-CE1 3.42Å; I291-H295 WeakPolarHBondContact CG2-CE1 3.4Å; I291-H295 WeakPolarHBondContact CG2-NE2 3.29Å; I291-H295 PolarHBondContact O-CD2 3.38Å; I291-H295 VanDerWaalsContact O-CD2 3.26Å; I291-H295 VanDerWaalsContact O-CG 3.32Å; I291-H295 PolarHBondContact O-N 2.93Å
292	Q	90.8	Very high	91	Very high	112 Å²	112	52 Å²	52	52%	0.523	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-38.5	177.8	-72.8	177.6	10.1	0	0	112.8	A288 Q289 H295 K296	A288-Q292 VanDerWaalsContact O-CG 3.32Å; A288-Q292 WeakPolarHBondContact O-CG 3.28Å; A288-Q292 PolarHBondContact O-N 3.22Å; Q289-Q292 WeakPolarHBondContact O-CB 3.3Å; Q289-Q292 PolarHBondContact O-N 3.47Å; Q292-H295 PolarHBondContact O-N 3.42Å; Q292-K296 WeakPolarHBondContact O-CB 3.42Å; Q292-K296 VanDerWaalsContact O-CG 3.32Å; Q292-K296 WeakPolarHBondContact O-CG 3.45Å; Q292-K296 PolarHBondContact O-N 3.48Å
293	E	92.2	Very high	91.2	Very high	85 Å²	85	46.3 Å²	46.3	40%	0.397	23%	0.227	S	C	.	.	H	α-helix	trans	-63.1	-44.9	174.7	-73.7	-179.3	-162.8	0	0	111.7	K229 Q289 V290 I291 H295 K296 F297	K229-E293 HydrophobicContact CD-CB 4.4Å; K229-E293 VanDerWaalsContact CD-OE2 3.25Å; K229-E293 WeakPolarHBondContact CD-OE2 3.2Å; K229-E293 VanDerWaalsContact CE-OE2 3.24Å; K229-E293 WeakPolarHBondContact CE-OE2 3.28Å; K229-E293 IonicContact NZ-OE2 3.71Å; K229-E293 PolarHBondContact NZ-OE2 3.01Å; Q289-E293 WeakPolarHBondContact O-CG 3.45Å; Q289-E293 PolarHBondContact O-N 2.9Å; V290-E293 PolarHBondContact O-N 2.99Å; I291-E293 VanDerWaalsContact C-N 3.34Å; I291-E293 PolarHBondContact O-N 3.2Å; E293-H295 VanDerWaalsContact C-N 3.34Å; E293-H295 PolarHBondContact O-N 2.87Å; E293-K296 PolarHBondContact O-N 3.15Å; E293-F297 WeakPolarHBondContact O-CB 3.49Å; E293-F297 PolarHBondContact O-N 3.05Å
294	C	92.8	Very high	91.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-40.9	175.9	-66	0	0	0	0	111.7	M274 V290 I291 F297 Y298 F351	M274-C294 HydrophobicContact CE-CB 4.23Å; M274-C294 HydrophobicContact SD-CB 4.22Å; V290-C294 PolarHBondContact O-N 3.05Å; V290-C294 PolarHBondContact O-SG 3.35Å; I291-C294 PolarHBondContact O-N 3.39Å; C294-F297 PolarHBondContact O-N 3.38Å; C294-Y298 WeakPolarHBondContact O-CB 2.93Å; C294-Y298 PolarHBondContact O-N 3.24Å; C294-F351 HydrophobicContact CB-CE1 4.5Å
295	H	92.1	Very high	91.3	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.028	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-49	175.4	-68.5	-178.3	0	0	0	111.3	I291 Q292 E293 F297 Y298 L299 F351 F355	I291-H295 VanDerWaalsContact CG2-CE1 3.42Å; I291-H295 WeakPolarHBondContact CG2-CE1 3.4Å; I291-H295 WeakPolarHBondContact CG2-NE2 3.29Å; I291-H295 PolarHBondContact O-CD2 3.38Å; I291-H295 VanDerWaalsContact O-CD2 3.26Å; I291-H295 VanDerWaalsContact O-CG 3.32Å; I291-H295 PolarHBondContact O-N 2.93Å; Q292-H295 PolarHBondContact O-N 3.42Å; E293-H295 VanDerWaalsContact C-N 3.34Å; E293-H295 PolarHBondContact O-N 2.87Å; H295-F297 VanDerWaalsContact C-N 3.32Å; H295-F297 PolarHBondContact O-N 2.68Å; H295-Y298 PolarHBondContact O-N 2.88Å; H295-L299 VanDerWaalsContact O-CB 3.32Å; H295-L299 WeakPolarHBondContact O-CB 3.28Å; H295-L299 WeakPolarHBondContact O-CG 3.33Å; H295-L299 PolarHBondContact O-N 2.91Å; H295-F351 AromaticContact CD2-CD1 3.35Å; H295-F351 WeakPolarHBondContact CD2-CD1 3.28Å; H295-F351 AromaticContact CD2-CD2 3.98Å; H295-F351 AromaticContact CD2-CE1 3.46Å; H295-F351 VanDerWaalsContact CD2-CE1 3.46Å; H295-F351 WeakPolarHBondContact CD2-CE1 3.4Å; H295-F351 AromaticContact CD2-CG 3.61Å; H295-F351 AromaticContact CD2-CZ 3.84Å; H295-F351 AromaticContact NE2-CD1 3.15Å; H295-F351 WeakPolarHBondContact NE2-CD1 3.37Å; H295-F351 AromaticContact NE2-CE1 3.78Å; H295-F351 AromaticContact NE2-CG 3.35Å; H295-F351 WeakPolarHBondContact NE2-CG 3.26Å; H295-F355 WeakPolarHBondContact CE1-CB 3.3Å; H295-F355 AromaticContact CE1-CG 3.94Å
296	K	91.5	Very high	91.3	Very high	143 Å²	143	45.3 Å²	45.3	62%	0.622	22%	0.215	S	C	*	.	H	α-helix	trans	-58.7	-44.5	178.7	-76	174.8	-178.5	175.5	0	111.4	Q292 E293 H300	Q292-K296 WeakPolarHBondContact O-CB 3.42Å; Q292-K296 VanDerWaalsContact O-CG 3.32Å; Q292-K296 WeakPolarHBondContact O-CG 3.45Å; Q292-K296 PolarHBondContact O-N 3.48Å; E293-K296 PolarHBondContact O-N 3.15Å; K296-H300 WeakPolarHBondContact O-CB 3.38Å; K296-H300 PolarHBondContact O-N 2.9Å
297	F	92.6	Very high	91.4	Very high	54 Å²	54	45.4 Å²	45.4	24%	0.237	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-49.4	177.8	-173.1	-91.3	0	0	0	111.8	T233 I236 E237 E293 C294 H295 H301	T233-F297 HydrophobicContact CG2-CB 4.27Å; T233-F297 HydrophobicContact CG2-CD1 3.65Å; T233-F297 HydrophobicContact CG2-CD2 4.08Å; T233-F297 HydrophobicContact CG2-CE1 3.94Å; T233-F297 HydrophobicContact CG2-CE2 4.34Å; T233-F297 HydrophobicContact CG2-CG 3.73Å; T233-F297 HydrophobicContact CG2-CZ 4.27Å; I236-F297 HydrophobicContact CB-CD1 4.47Å; I236-F297 HydrophobicContact CB-CE1 4.11Å; I236-F297 HydrophobicContact CD1-CD1 4.35Å; I236-F297 HydrophobicContact CG2-CD1 4.2Å; I236-F297 HydrophobicContact CG2-CE1 3.9Å; E237-F297 HydrophobicContact CB-CZ 4.48Å; E293-F297 WeakPolarHBondContact O-CB 3.49Å; E293-F297 PolarHBondContact O-N 3.05Å; C294-F297 PolarHBondContact O-N 3.38Å; H295-F297 VanDerWaalsContact C-N 3.32Å; H295-F297 PolarHBondContact O-N 2.68Å; F297-H301 AromaticContact CD1-CD2 3.94Å; F297-H301 AromaticContact CD2-NE2 3.95Å; F297-H301 AromaticContact CE1-CD2 3.63Å; F297-H301 AromaticContact CE2-CD2 3.76Å; F297-H301 AromaticContact CE2-NE2 3.37Å; F297-H301 WeakPolarHBondContact CE2-NE2 3.25Å; F297-H301 AromaticContact CZ-CD2 3.54Å; F297-H301 AromaticContact CZ-NE2 3.41Å; F297-H301 WeakPolarHBondContact CZ-NE2 3.42Å; F297-H301 PolarHBondContact O-CD2 3.26Å; F297-H301 PolarHBondContact O-N 2.65Å
298	Y	93.1	Very high	91.1	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-51.1	177.4	173.1	-97.1	0	0	0	112	I236 F263 C294 H295 H300 R302 L346 F347 F350 F351	I236-Y298 HydrophobicContact CD1-CD2 4.08Å; I236-Y298 HydrophobicContact CG1-CD2 4.48Å; F263-Y298 HydrophobicContact CD1-CE2 4.18Å; F263-Y298 HydrophobicContact CE1-CE2 4.2Å; C294-Y298 WeakPolarHBondContact O-CB 2.93Å; C294-Y298 PolarHBondContact O-N 3.24Å; H295-Y298 PolarHBondContact O-N 2.88Å; Y298-H300 PolarHBondContact O-N 3.43Å; Y298-R302 HydrophobicContact CD1-CG 4.3Å; Y298-R302 HydrophobicContact CD2-CG 4.05Å; Y298-R302 HydrophobicContact CE1-CG 3.86Å; Y298-R302 HydrophobicContact CE2-CG 3.6Å; Y298-R302 HydrophobicContact CG-CG 4.39Å; Y298-R302 VanDerWaalsContact CZ-CG 3.5Å; Y298-R302 WeakPolarHBondContact O-CB 3.45Å; Y298-R302 VanDerWaalsContact O-CG 3.3Å; Y298-R302 WeakPolarHBondContact O-CG 3.36Å; Y298-R302 PolarHBondContact O-N 3.47Å; Y298-L346 VanDerWaalsContact OH-CD2 3.25Å; Y298-L346 WeakPolarHBondContact OH-CD2 3.4Å; Y298-L346 WeakPolarHBondContact OH-CG 3.48Å; Y298-F347 AromaticContact CD1-CD2 3.9Å; Y298-F347 HydrophobicContact CD1-CD2 3.9Å; Y298-F347 HydrophobicContact CD1-CE2 4.31Å; Y298-F347 HydrophobicContact CE1-CB 4.49Å; Y298-F347 AromaticContact CE1-CD2 3.76Å; Y298-F347 HydrophobicContact CE1-CD2 3.76Å; Y298-F350 HydrophobicContact CD2-CD2 4.37Å; Y298-F350 HydrophobicContact CD2-CE2 4.4Å; Y298-F350 AromaticContact CE2-CD2 3.66Å; Y298-F350 HydrophobicContact CE2-CD2 3.66Å; Y298-F350 AromaticContact CE2-CE2 3.44Å; Y298-F350 HydrophobicContact CE2-CE2 3.44Å; Y298-F350 VanDerWaalsContact CE2-CE2 3.44Å; Y298-F350 HydrophobicContact CE2-CZ 4.47Å; Y298-F350 AromaticContact CZ-CD2 3.79Å; Y298-F350 AromaticContact CZ-CE2 3.72Å; Y298-F351 AromaticContact CD1-CE2 3.86Å; Y298-F351 HydrophobicContact CD1-CE2 3.86Å; Y298-F351 HydrophobicContact CD2-CE2 4.45Å; Y298-F351 HydrophobicContact CE1-CE2 4.44Å; Y298-F351 AromaticContact CG-CE2 3.87Å; Y298-F351 HydrophobicContact CG-CE2 3.87Å; Y298-F351 HydrophobicContact CG-CZ 4.3Å
299	L	92.5	Very high	91	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-40.8	-176.3	-67.8	171.5	0	0	0	111.6	H295 R302 E303 F347 S358 I359 M362	H295-L299 VanDerWaalsContact O-CB 3.32Å; H295-L299 WeakPolarHBondContact O-CB 3.28Å; H295-L299 WeakPolarHBondContact O-CG 3.33Å; H295-L299 PolarHBondContact O-N 2.91Å; L299-R302 PolarHBondContact O-N 3.41Å; L299-E303 WeakPolarHBondContact O-CB 3.36Å; L299-E303 PolarHBondContact O-N 3.32Å; L299-F347 HydrophobicContact CD1-CE2 4.42Å; L299-F347 HydrophobicContact CD2-CD2 3.98Å; L299-F347 HydrophobicContact CD2-CE2 4.05Å; L299-F347 HydrophobicContact CG-CE2 4.29Å; L299-S358 WeakPolarHBondContact CD1-O 3.41Å; L299-I359 HydrophobicContact CD2-CB 4.26Å; L299-I359 HydrophobicContact CD2-CG1 3.81Å; L299-M362 HydrophobicContact CB-SD 4.44Å; L299-M362 HydrophobicContact CD2-SD 3.74Å
300	H	92.6	Very high	90.9	Very high	114 Å²	114	43.1 Å²	43.1	53%	0.528	21%	0.21	S	C	.	.	H	α-helix	trans	-59.3	-50.5	178.8	178.4	55.9	0	0	0	112	K296 Y298 E303 E304	K296-H300 WeakPolarHBondContact O-CB 3.38Å; K296-H300 PolarHBondContact O-N 2.9Å; Y298-H300 PolarHBondContact O-N 3.43Å; H300-E303 WeakPolarHBondContact O-CB 3.3Å; H300-E303 PolarHBondContact O-N 3.28Å; H300-E304 PolarHBondContact O-N 3.47Å; H300-E304 VanDerWaalsContact O-N 3.14Å
301	H	91.1	Very high	90.9	Very high	40 Å²	40	47.4 Å²	47.4	19%	0.185	23%	0.229	C	C	.	.	H	α-helix	trans	-74.1	-33	-179.3	-72.5	-59.9	0	0	0	113.3	I240 F297 E303 E304 L305	I240-H301 HydrophobicContact CD1-CB 3.38Å; I240-H301 HydrophobicContact CG1-CB 4.49Å; F297-H301 AromaticContact CD1-CD2 3.94Å; F297-H301 AromaticContact CD2-NE2 3.95Å; F297-H301 AromaticContact CE1-CD2 3.63Å; F297-H301 AromaticContact CE2-CD2 3.76Å; F297-H301 AromaticContact CE2-NE2 3.37Å; F297-H301 WeakPolarHBondContact CE2-NE2 3.25Å; F297-H301 AromaticContact CZ-CD2 3.54Å; F297-H301 AromaticContact CZ-NE2 3.41Å; F297-H301 WeakPolarHBondContact CZ-NE2 3.42Å; F297-H301 PolarHBondContact O-CD2 3.26Å; F297-H301 PolarHBondContact O-N 2.65Å; H301-E303 VanDerWaalsContact C-N 3.35Å; H301-E304 IonicContact ND1-OE2 3.39Å; H301-E304 PolarHBondContact O-N 2.92Å; H301-L305 WeakPolarHBondContact O-CG 3.25Å; H301-L305 PolarHBondContact O-N 2.86Å; H301-L305 VanDerWaalsContact O-N 3.13Å
302	R	91.1	Very high	90.7	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-41.5	172.2	-74.7	-67.8	-68.2	178.9	-1.8	111.4	L259 Y298 L299 E304 L305 L306 E343 L346 M362	L259-R302 PolarHBondContact O-NH1 2.86Å; Y298-R302 HydrophobicContact CD1-CG 4.3Å; Y298-R302 HydrophobicContact CD2-CG 4.05Å; Y298-R302 HydrophobicContact CE1-CG 3.86Å; Y298-R302 HydrophobicContact CE2-CG 3.6Å; Y298-R302 HydrophobicContact CG-CG 4.39Å; Y298-R302 VanDerWaalsContact CZ-CG 3.5Å; Y298-R302 WeakPolarHBondContact O-CB 3.45Å; Y298-R302 VanDerWaalsContact O-CG 3.3Å; Y298-R302 WeakPolarHBondContact O-CG 3.36Å; Y298-R302 PolarHBondContact O-N 3.47Å; L299-R302 PolarHBondContact O-N 3.41Å; R302-E304 VanDerWaalsContact C-N 3.32Å; R302-E304 PolarHBondContact O-N 2.96Å; R302-L305 PolarHBondContact O-N 2.85Å; R302-L306 HydrophobicContact CB-CD1 4.2Å; R302-L306 WeakPolarHBondContact O-CB 3.06Å; R302-L306 WeakPolarHBondContact O-CD1 3.32Å; R302-L306 WeakPolarHBondContact O-CG 3.18Å; R302-L306 PolarHBondContact O-N 2.91Å; R302-E343 IonicContact CZ-OE1 3.98Å; R302-E343 IonicContact CZ-OE2 2.83Å; R302-E343 IonicContact NE-OE1 2.97Å; R302-E343 IonicContact NE-OE2 3.63Å; R302-E343 PolarHBondContact NE-OE2 3.5Å; R302-E343 IonicContact NH2-OE1 3.77Å; R302-E343 PolarHBondContact NH2-OE1 2.97Å; R302-E343 IonicContact NH2-OE2 3.4Å; R302-E343 PolarHBondContact NH2-OE2 3.32Å; R302-L346 VanDerWaalsContact NH2-CD2 3.3Å; R302-M362 HydrophobicContact CB-CE 3.76Å; R302-M362 HydrophobicContact CB-SD 4.24Å
303	E	91.2	Very high	90.6	Very high	43 Å²	43	47.6 Å²	47.6	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-56.8	-46.6	174.9	-173.6	-170.9	136.8	0	0	111.2	L299 H300 H301 L305 L306 T307 M362 K365	L299-E303 WeakPolarHBondContact O-CB 3.36Å; L299-E303 PolarHBondContact O-N 3.32Å; H300-E303 WeakPolarHBondContact O-CB 3.3Å; H300-E303 PolarHBondContact O-N 3.28Å; H301-E303 VanDerWaalsContact C-N 3.35Å; E303-L305 VanDerWaalsContact C-N 3.31Å; E303-L305 PolarHBondContact O-N 3.41Å; E303-L306 PolarHBondContact O-N 2.92Å; E303-T307 VanDerWaalsContact O-CB 3.28Å; E303-T307 WeakPolarHBondContact O-CB 3.16Å; E303-T307 PolarHBondContact O-N 2.89Å; E303-T307 PolarHBondContact O-OG1 3.46Å; E303-M362 HydrophobicContact CB-CG 4.03Å; E303-M362 HydrophobicContact CB-SD 4.43Å; E303-M362 HydrophobicContact CG-CG 4.3Å; E303-K365 HydrophobicContact CG-CD 4.28Å; E303-K365 WeakPolarHBondContact OE1-CD 3.43Å; E303-K365 WeakPolarHBondContact OE1-CE 3.39Å; E303-K365 IonicContact OE1-NZ 3.91Å; E303-K365 PolarHBondContact OE1-NZ 3.38Å; E303-K365 WeakPolarHBondContact OE2-CD 3.4Å; E303-K365 IonicContact OE2-NZ 2.74Å; E303-K365 PolarHBondContact OE2-NZ 2.91Å
304	E	89.8	Confident	90.6	Very high	127 Å²	127	43.7 Å²	43.7	59%	0.593	22%	0.219	S	C	*	.	H	α-helix	trans	-60.7	-38.3	178.1	-169.9	178.6	-170.4	0	0	112.5	H300 H301 R302 P308	H300-E304 PolarHBondContact O-N 3.47Å; H300-E304 VanDerWaalsContact O-N 3.14Å; H301-E304 IonicContact ND1-OE2 3.39Å; H301-E304 PolarHBondContact O-N 2.92Å; R302-E304 VanDerWaalsContact C-N 3.32Å; R302-E304 PolarHBondContact O-N 2.96Å; E304-P308 WeakPolarHBondContact O-CD 3.37Å; E304-P308 WeakPolarHBondContact O-CG 3.41Å
305	L	86.9	Confident	90.5	Very high	28 Å²	28	46.7 Å²	46.7	15%	0.147	24%	0.24	C	C	.	.	H	α-helix	trans	-74.7	-37.8	177.6	-71.3	176.6	0	0	0	113.6	I240 L244 F263 H301 R302 E303 V309	I240-L305 HydrophobicContact CG1-CD1 3.95Å; I240-L305 HydrophobicContact CG2-CD1 4.19Å; I240-L305 HydrophobicContact CG2-CD2 4.38Å; L244-L305 HydrophobicContact CD2-CD2 4.24Å; F263-L305 HydrophobicContact CE2-CD1 4.2Å; F263-L305 HydrophobicContact CZ-CD1 4.25Å; H301-L305 WeakPolarHBondContact O-CG 3.25Å; H301-L305 PolarHBondContact O-N 2.86Å; H301-L305 VanDerWaalsContact O-N 3.13Å; R302-L305 PolarHBondContact O-N 2.85Å; E303-L305 VanDerWaalsContact C-N 3.31Å; E303-L305 PolarHBondContact O-N 3.41Å; L305-V309 WeakPolarHBondContact O-CG2 3.48Å
306	L	89.7	Confident	90.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-91	-32.7	-169.8	-70.4	159.2	0	0	0	113.7	R302 E303 V309 A310 M339 E343 M362 L366	R302-L306 HydrophobicContact CB-CD1 4.2Å; R302-L306 WeakPolarHBondContact O-CB 3.06Å; R302-L306 WeakPolarHBondContact O-CD1 3.32Å; R302-L306 WeakPolarHBondContact O-CG 3.18Å; R302-L306 PolarHBondContact O-N 2.91Å; E303-L306 PolarHBondContact O-N 2.92Å; L306-V309 PolarHBondContact O-N 2.97Å; L306-V309 VanDerWaalsContact O-N 3.14Å; L306-A310 WeakPolarHBondContact O-CB 3.44Å; L306-A310 PolarHBondContact O-N 3.05Å; L306-M339 HydrophobicContact CD2-CE 4.24Å; L306-E343 HydrophobicContact CD1-CG 3.72Å; L306-E343 WeakPolarHBondContact CD1-OE1 3.33Å; L306-E343 WeakPolarHBondContact CD1-OE2 3.28Å; L306-M362 HydrophobicContact CD1-CE 3.34Å; L306-L366 HydrophobicContact CB-CD2 4.03Å
307	T	90.5	Very high	90.4	Very high	30 Å²	30	45.4 Å²	45.4	18%	0.184	24%	0.24	C	C	.	.	H	α-helix	trans	-52.8	-49.7	178.2	-58.7	0	0	0	0	112.8	E303 V309 A310 Q311	E303-T307 VanDerWaalsContact O-CB 3.28Å; E303-T307 WeakPolarHBondContact O-CB 3.16Å; E303-T307 PolarHBondContact O-N 2.89Å; E303-T307 PolarHBondContact O-OG1 3.46Å; T307-V309 VanDerWaalsContact C-N 3.33Å; T307-V309 PolarHBondContact O-N 2.95Å; T307-A310 PolarHBondContact O-N 3.47Å; T307-Q311 HydrophobicContact CG2-CG 4.42Å; T307-Q311 WeakPolarHBondContact O-CB 3.4Å; T307-Q311 VanDerWaalsContact O-CG 3.29Å; T307-Q311 WeakPolarHBondContact O-CG 3.26Å; T307-Q311 PolarHBondContact O-N 3.01Å
308	P	88.2	Confident	90.2	Very high	57 Å²	57	44.9 Å²	44.9	37%	0.37	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-34.8	178.3	25.2	-34.2	0	0	0	112.6	E304 Q311 N312	E304-P308 WeakPolarHBondContact O-CD 3.37Å; E304-P308 WeakPolarHBondContact O-CG 3.41Å; P308-Q311 PolarHBondContact O-N 3.49Å; P308-N312 VanDerWaalsContact O-CB 3.3Å; P308-N312 WeakPolarHBondContact O-CB 3.41Å; P308-N312 PolarHBondContact O-N 3.46Å; P308-N312 PolarHBondContact O-ND2 3.38Å
309	V	86.9	Confident	90	Very high	34 Å²	34	52.5 Å²	52.5	21%	0.206	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-42.7	177	179	0	0	0	0	110.8	L259 L305 L306 T307 G313	L259-V309 HydrophobicContact CD1-CG1 4.31Å; L259-V309 HydrophobicContact CD1-CG2 4.06Å; L305-V309 WeakPolarHBondContact O-CG2 3.48Å; L306-V309 PolarHBondContact O-N 2.97Å; L306-V309 VanDerWaalsContact O-N 3.14Å; T307-V309 VanDerWaalsContact C-N 3.33Å; T307-V309 PolarHBondContact O-N 2.95Å; V309-G313 PolarHBondContact O-N 3.34Å
310	A	90	Very high	89.9	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-45.8	175.9	0	0	0	0	0	111.3	L306 T307 G313 V314 I336 M339 L366 C369	L306-A310 WeakPolarHBondContact O-CB 3.44Å; L306-A310 PolarHBondContact O-N 3.05Å; T307-A310 PolarHBondContact O-N 3.47Å; A310-G313 PolarHBondContact O-N 3.39Å; A310-V314 WeakPolarHBondContact O-CB 3.38Å; A310-V314 VanDerWaalsContact O-CG2 3.27Å; A310-V314 WeakPolarHBondContact O-CG2 3.25Å; A310-V314 PolarHBondContact O-N 3.28Å; A310-I336 HydrophobicContact CB-CD1 4.36Å; A310-M339 HydrophobicContact CB-CE 3.92Å; A310-M339 HydrophobicContact CB-SD 4.01Å; A310-L366 HydrophobicContact CB-CD2 4.1Å; A310-C369 HydrophobicContact CB-CB 4.47Å
311	Q	91.6	Very high	89.7	Confident	102 Å²	102	56.6 Å²	56.6	48%	0.477	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-46.3	178	-73.9	175.7	-10.9	0	0	112.1	T307 P308 V314 S315 C369	T307-Q311 HydrophobicContact CG2-CG 4.42Å; T307-Q311 WeakPolarHBondContact O-CB 3.4Å; T307-Q311 VanDerWaalsContact O-CG 3.29Å; T307-Q311 WeakPolarHBondContact O-CG 3.26Å; T307-Q311 PolarHBondContact O-N 3.01Å; P308-Q311 PolarHBondContact O-N 3.49Å; Q311-V314 PolarHBondContact O-N 3.36Å; Q311-S315 VanDerWaalsContact O-CB 3.25Å; Q311-S315 WeakPolarHBondContact O-CB 3.19Å; Q311-S315 PolarHBondContact O-N 2.96Å; Q311-C369 HydrophobicContact CG-CB 4.16Å
312	N	88.1	Confident	89.1	Confident	103 Å²	103	58.3 Å²	58.3	55%	0.551	31%	0.311	S	S	*	.	H	α-helix	trans	-65	-45.1	177.3	-69.6	-13.9	0	0	0	111.1	P308 V314 S315 D316	P308-N312 VanDerWaalsContact O-CB 3.3Å; P308-N312 WeakPolarHBondContact O-CB 3.41Å; P308-N312 PolarHBondContact O-N 3.46Å; P308-N312 PolarHBondContact O-ND2 3.38Å; N312-V314 PolarHBondContact O-N 3.2Å; N312-S315 PolarHBondContact O-N 3.02Å; N312-S315 VanDerWaalsContact O-N 3.17Å; N312-D316 WeakPolarHBondContact O-CB 3.44Å; N312-D316 VanDerWaalsContact O-CG 3.23Å; N312-D316 PolarHBondContact O-N 3.24Å
313	G	89	Confident	88.7	Confident	16 Å²	16	61.7 Å²	61.7	17%	0.165	35%	0.346	C	S	.	.	H	α-helix	trans	-59.8	-43.2	177.2	0	0	0	0	0	112.8	V309 A310 L317	V309-G313 PolarHBondContact O-N 3.34Å; A310-G313 PolarHBondContact O-N 3.39Å; G313-L317 VanDerWaalsContact O-CG 3.26Å; G313-L317 WeakPolarHBondContact O-CG 3.49Å; G313-L317 PolarHBondContact O-N 2.87Å; G313-L317 VanDerWaalsContact O-N 3.11Å
314	V	91.4	Very high	88.7	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.012	36%	0.355	C	S	.	.	H	α-helix	trans	-68.5	-39.1	175.3	175.4	0	0	0	0	111.3	A310 Q311 N312 L317 L318 F335 I336 L370 A373	A310-V314 WeakPolarHBondContact O-CB 3.38Å; A310-V314 VanDerWaalsContact O-CG2 3.27Å; A310-V314 WeakPolarHBondContact O-CG2 3.25Å; A310-V314 PolarHBondContact O-N 3.28Å; Q311-V314 PolarHBondContact O-N 3.36Å; N312-V314 PolarHBondContact O-N 3.2Å; V314-L317 PolarHBondContact O-N 3.02Å; V314-L318 HydrophobicContact CG1-CD1 4.47Å; V314-L318 WeakPolarHBondContact O-CG 3.15Å; V314-L318 PolarHBondContact O-N 3.26Å; V314-F335 HydrophobicContact CG2-CD1 4.1Å; V314-F335 HydrophobicContact CG2-CE1 4.1Å; V314-I336 HydrophobicContact CG2-CD1 4.07Å; V314-I336 HydrophobicContact CG2-CG1 4.32Å; V314-L370 HydrophobicContact CG1-CD1 4.38Å; V314-A373 HydrophobicContact CG1-CB 3.35Å
315	S	90.7	Very high	88.7	Confident	64 Å²	64	59.1 Å²	59.1	45%	0.448	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-40.6	175.8	-175.4	0	0	0	0	112.5	Q311 N312 L317 L318 Q319	Q311-S315 VanDerWaalsContact O-CB 3.25Å; Q311-S315 WeakPolarHBondContact O-CB 3.19Å; Q311-S315 PolarHBondContact O-N 2.96Å; N312-S315 PolarHBondContact O-N 3.02Å; N312-S315 VanDerWaalsContact O-N 3.17Å; S315-L317 VanDerWaalsContact C-N 3.34Å; S315-L318 WeakPolarHBondContact O-CB 3.44Å; S315-L318 PolarHBondContact O-N 3Å; S315-Q319 PolarHBondContact O-N 3.36Å
316	D	89.9	Confident	89	Confident	90 Å²	90	58.8 Å²	58.8	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-65.7	-39.8	176.5	-69.9	-15.7	0	0	0	110.9	N312 Q319 K320	N312-D316 WeakPolarHBondContact O-CB 3.44Å; N312-D316 VanDerWaalsContact O-CG 3.23Å; N312-D316 PolarHBondContact O-N 3.24Å; D316-Q319 PolarHBondContact O-N 3.31Å; D316-K320 WeakPolarHBondContact O-CB 3.05Å; D316-K320 PolarHBondContact O-N 2.83Å
317	L	91	Very high	89.1	Confident	32 Å²	32	60.8 Å²	60.8	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-64.7	-40.1	173.7	-69.8	172.8	0	0	0	111.8	G313 V314 S315 Q319 K320 Y321 L328 A332 F335	G313-L317 VanDerWaalsContact O-CG 3.26Å; G313-L317 WeakPolarHBondContact O-CG 3.49Å; G313-L317 PolarHBondContact O-N 2.87Å; G313-L317 VanDerWaalsContact O-N 3.11Å; V314-L317 PolarHBondContact O-N 3.02Å; S315-L317 VanDerWaalsContact C-N 3.34Å; L317-Q319 VanDerWaalsContact C-N 3.33Å; L317-Q319 PolarHBondContact O-N 3.12Å; L317-K320 PolarHBondContact O-N 3.23Å; L317-Y321 HydrophobicContact CD2-CD2 4.31Å; L317-Y321 HydrophobicContact CD2-CE2 3.93Å; L317-Y321 WeakPolarHBondContact O-CD2 3.32Å; L317-Y321 PolarHBondContact O-N 3.44Å; L317-L328 HydrophobicContact CB-CD1 4.16Å; L317-L328 WeakPolarHBondContact O-CD1 3.47Å; L317-A332 HydrophobicContact CD1-CB 4.06Å; L317-F335 HydrophobicContact CD1-CB 4.14Å; L317-F335 HydrophobicContact CD1-CD1 4.37Å; L317-F335 HydrophobicContact CD1-CG 4.25Å
318	L	89.8	Confident	89.2	Confident	43 Å²	43	59.6 Å²	59.6	23%	0.225	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-43.9	173.7	-78.2	170.4	0	0	0	111.7	V314 S315 A322 L328 A373 L377	V314-L318 HydrophobicContact CG1-CD1 4.47Å; V314-L318 WeakPolarHBondContact O-CG 3.15Å; V314-L318 PolarHBondContact O-N 3.26Å; S315-L318 WeakPolarHBondContact O-CB 3.44Å; S315-L318 PolarHBondContact O-N 3Å; L318-A322 PolarHBondContact O-N 3.49Å; L318-L328 HydrophobicContact CD2-CD1 4.14Å; L318-L328 HydrophobicContact CD2-CD2 3.58Å; L318-L328 HydrophobicContact CD2-CG 4.42Å; L318-L328 HydrophobicContact CG-CD1 4.42Å; L318-A373 HydrophobicContact CD1-CB 3.76Å; L318-L377 HydrophobicContact CD2-CD1 3.39Å; L318-L377 HydrophobicContact CD2-CG 4.26Å
319	Q	88.7	Confident	89.3	Confident	160 Å²	160	57 Å²	57	75%	0.748	32%	0.324	S	S	*	.	H	α-helix	trans	-67.7	-40	177.9	-170.4	177.7	9.6	0	0	111.7	S315 D316 L317	S315-Q319 PolarHBondContact O-N 3.36Å; D316-Q319 PolarHBondContact O-N 3.31Å; L317-Q319 VanDerWaalsContact C-N 3.33Å; L317-Q319 PolarHBondContact O-N 3.12Å
320	K	89.9	Confident	89.6	Confident	152 Å²	152	59.4 Å²	59.4	66%	0.661	33%	0.329	S	S	*	.	H	α-helix	trans	-68.8	-38.2	-178.8	-173.1	173.8	179.3	176.5	0	113.1	D316 L317	D316-K320 WeakPolarHBondContact O-CB 3.05Å; D316-K320 PolarHBondContact O-N 2.83Å; L317-K320 PolarHBondContact O-N 3.23Å
321	Y	88.5	Confident	89.6	Confident	64 Å²	64	61.4 Å²	61.4	25%	0.251	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	33.9	-175	-61	-70.3	0	0	0	113.6	L317 G323 D324 T327 T331	L317-Y321 HydrophobicContact CD2-CD2 4.31Å; L317-Y321 HydrophobicContact CD2-CE2 3.93Å; L317-Y321 WeakPolarHBondContact O-CD2 3.32Å; L317-Y321 PolarHBondContact O-N 3.44Å; Y321-G323 PolarHBondContact O-N 3.37Å; Y321-D324 PolarHBondContact O-N 2.87Å; Y321-D324 VanDerWaalsContact O-N 3.09Å; Y321-T327 HydrophobicContact CD1-CG2 3.96Å; Y321-T327 HydrophobicContact CE1-CG2 3.78Å; Y321-T331 HydrophobicContact CE2-CG2 4.27Å
322	A	78.7	Confident	89.6	Confident	76 Å²	76	56.5 Å²	56.5	63%	0.628	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24	-176.2	0	0	0	0	0	115.1	L318	L318-A322 PolarHBondContact O-N 3.49Å
323	G	82.4	Confident	89.7	Confident	72 Å²	72	51.6 Å²	51.6	74%	0.742	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-25.4	177.9	0	0	0	0	0	115.1	Y321	Y321-G323 PolarHBondContact O-N 3.37Å
324	D	90.5	Very high	89.7	Confident	72 Å²	72	54 Å²	54	39%	0.385	30%	0.303	S	S	.	.			trans	-117.2	89.3	-172.7	-173.7	-4.8	0	0	0	111.1	Y321 C326 T327 L328	Y321-D324 PolarHBondContact O-N 2.87Å; Y321-D324 VanDerWaalsContact O-N 3.09Å; D324-C326 PolarHBondContact O-N 2.61Å; D324-C326 WeakPolarHBondContact OD1-CB 3.4Å; D324-C326 PolarHBondContact OD1-N 2.79Å; D324-T327 VanDerWaalsContact CG-OG1 3.31Å; D324-T327 PolarHBondContact O-N 2.85Å; D324-T327 PolarHBondContact OD1-N 3.45Å; D324-T327 VanDerWaalsContact OD1-N 3.1Å; D324-T327 WeakPolarHBondContact OD2-CB 3.48Å; D324-T327 PolarHBondContact OD2-OG1 2.88Å; D324-L328 VanDerWaalsContact O-CB 3.25Å; D324-L328 WeakPolarHBondContact O-CB 3.49Å; D324-L328 PolarHBondContact O-N 2.85Å
325	H	90.9	Very high	89.6	Confident	44 Å²	44	56 Å²	56	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-31	179.3	-57.3	83.9	0	0	0	112.8	L329 I381 I386 L390	H325-L329 WeakPolarHBondContact O-CB 3.49Å; H325-L329 PolarHBondContact O-N 3.45Å; H325-I381 HydrophobicContact CB-CD1 4.32Å; H325-I386 HydrophobicContact CB-CG2 4.08Å; H325-L390 HydrophobicContact CB-CD1 4.46Å; H325-L390 HydrophobicContact CB-CD2 4.4Å
326	C	91.9	Very high	89.6	Confident	20 Å²	20	52.9 Å²	52.9	14%	0.135	29%	0.291	C	S	.	.	H	α-helix	trans	-74.5	-48.7	-176.9	-66.5	0	0	0	0	110.4	D324 L328 L329 R330 I393	D324-C326 PolarHBondContact O-N 2.61Å; D324-C326 WeakPolarHBondContact OD1-CB 3.4Å; D324-C326 PolarHBondContact OD1-N 2.79Å; C326-L328 VanDerWaalsContact C-N 3.31Å; C326-L328 PolarHBondContact O-N 3.42Å; C326-L329 PolarHBondContact O-N 3.11Å; C326-R330 WeakPolarHBondContact O-CG 3.2Å; C326-R330 PolarHBondContact O-N 3.43Å; C326-R330 VanDerWaalsContact O-N 3.09Å; C326-I393 HydrophobicContact CB-CD1 3.64Å
327	T	91.8	Very high	89.5	Confident	43 Å²	43	49.3 Å²	49.3	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-65.6	-37.2	175.6	-61	0	0	0	0	111.3	Y321 D324 R330 T331	Y321-T327 HydrophobicContact CD1-CG2 3.96Å; Y321-T327 HydrophobicContact CE1-CG2 3.78Å; D324-T327 VanDerWaalsContact CG-OG1 3.31Å; D324-T327 PolarHBondContact O-N 2.85Å; D324-T327 PolarHBondContact OD1-N 3.45Å; D324-T327 VanDerWaalsContact OD1-N 3.1Å; D324-T327 WeakPolarHBondContact OD2-CB 3.48Å; D324-T327 PolarHBondContact OD2-OG1 2.88Å; T327-R330 PolarHBondContact O-N 3.17Å; T327-T331 HydrophobicContact CG2-CG2 4.12Å; T327-T331 WeakPolarHBondContact O-CB 3.48Å; T327-T331 WeakPolarHBondContact O-CG2 3.43Å; T327-T331 PolarHBondContact O-N 3.09Å; T327-T331 PolarHBondContact O-OG1 2.93Å
328	L	92.6	Very high	89.3	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-56.5	-52.7	172.3	174	67.4	0	0	0	111.5	L317 L318 D324 C326 R330 T331 A332 L377	L317-L328 HydrophobicContact CB-CD1 4.16Å; L317-L328 WeakPolarHBondContact O-CD1 3.47Å; L318-L328 HydrophobicContact CD2-CD1 4.14Å; L318-L328 HydrophobicContact CD2-CD2 3.58Å; L318-L328 HydrophobicContact CD2-CG 4.42Å; L318-L328 HydrophobicContact CG-CD1 4.42Å; D324-L328 VanDerWaalsContact O-CB 3.25Å; D324-L328 WeakPolarHBondContact O-CB 3.49Å; D324-L328 PolarHBondContact O-N 2.85Å; C326-L328 VanDerWaalsContact C-N 3.31Å; C326-L328 PolarHBondContact O-N 3.42Å; L328-R330 PolarHBondContact O-N 3.14Å; L328-T331 PolarHBondContact O-N 3.03Å; L328-T331 PolarHBondContact O-OG1 3.46Å; L328-A332 WeakPolarHBondContact O-CB 3.45Å; L328-A332 PolarHBondContact O-N 2.97Å; L328-L377 HydrophobicContact CD2-CD1 3.37Å
329	L	92.1	Very high	89.3	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-41.9	-177.7	-178.5	61.5	0	0	0	111.8	H325 C326 G333 V374 L390 I393 L394 L398 L423	H325-L329 WeakPolarHBondContact O-CB 3.49Å; H325-L329 PolarHBondContact O-N 3.45Å; C326-L329 PolarHBondContact O-N 3.11Å; L329-G333 WeakPolarHBondContact O-CA 3.34Å; L329-G333 PolarHBondContact O-N 3.46Å; L329-V374 HydrophobicContact CD1-CG1 4.44Å; L329-L390 HydrophobicContact CB-CD2 4.11Å; L329-L390 HydrophobicContact CD2-CD2 3.75Å; L329-I393 HydrophobicContact CD2-CG2 4.19Å; L329-I393 HydrophobicContact CG-CG2 4.47Å; L329-L394 HydrophobicContact CD2-CD1 4.44Å; L329-L394 HydrophobicContact CD2-CD2 4.16Å; L329-L394 HydrophobicContact CD2-CG 3.96Å; L329-L398 HydrophobicContact CD1-CD1 4.47Å; L329-L398 HydrophobicContact CD2-CD1 4.49Å; L329-L398 HydrophobicContact CG-CD1 4.14Å; L329-L423 HydrophobicContact CD1-CD2 3.82Å
330	R	91.7	Very high	89.3	Confident	84 Å²	84	42.8 Å²	42.8	32%	0.317	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-49.2	176.5	-71.8	179.9	178.6	114.9	-2.1	112	C326 T327 L328 T334 I393 E397	C326-R330 WeakPolarHBondContact O-CG 3.2Å; C326-R330 PolarHBondContact O-N 3.43Å; C326-R330 VanDerWaalsContact O-N 3.09Å; T327-R330 PolarHBondContact O-N 3.17Å; L328-R330 PolarHBondContact O-N 3.14Å; R330-T334 VanDerWaalsContact O-CB 3.28Å; R330-T334 WeakPolarHBondContact O-CB 3.49Å; R330-T334 PolarHBondContact O-N 3.13Å; R330-T334 PolarHBondContact O-OG1 3.09Å; R330-I393 HydrophobicContact CG-CD1 4.38Å; R330-I393 HydrophobicContact CG-CG2 3.77Å; R330-I393 VanDerWaalsContact CZ-CD1 3.45Å; R330-I393 VanDerWaalsContact NH2-CG1 3.33Å; R330-E397 WeakPolarHBondContact CD-OE2 3.39Å; R330-E397 IonicContact CZ-OE1 2.75Å; R330-E397 IonicContact CZ-OE2 3.6Å; R330-E397 VanDerWaalsContact NE-CD 3.34Å; R330-E397 IonicContact NE-OE1 3.89Å; R330-E397 PolarHBondContact NE-OE1 3.23Å; R330-E397 VanDerWaalsContact NE-OE1 3.1Å; R330-E397 IonicContact NE-OE2 3.69Å; R330-E397 PolarHBondContact NE-OE2 2.92Å; R330-E397 IonicContact NH2-OE1 3.76Å; R330-E397 PolarHBondContact NH2-OE1 3.32Å; R330-E397 IonicContact NH2-OE2 2.68Å
331	T	90.4	Very high	89.2	Confident	41 Å²	41	37.7 Å²	37.7	25%	0.252	22%	0.218	S	C	.	.	H	α-helix	trans	-70.4	-43.5	-176.8	53.2	0	0	0	0	112	Y321 T327 L328 T334 F335	Y321-T331 HydrophobicContact CE2-CG2 4.27Å; T327-T331 HydrophobicContact CG2-CG2 4.12Å; T327-T331 WeakPolarHBondContact O-CB 3.48Å; T327-T331 WeakPolarHBondContact O-CG2 3.43Å; T327-T331 PolarHBondContact O-N 3.09Å; T327-T331 PolarHBondContact O-OG1 2.93Å; L328-T331 PolarHBondContact O-N 3.03Å; L328-T331 PolarHBondContact O-OG1 3.46Å; T331-T334 PolarHBondContact O-N 3.1Å; T331-F335 VanDerWaalsContact O-CB 3.27Å; T331-F335 WeakPolarHBondContact O-CB 3.36Å; T331-F335 PolarHBondContact O-N 3.11Å
332	A	91.5	Very high	89.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.3	-36.8	177.5	0	0	0	0	0	112.1	L317 L328 F335 I336 L370	L317-A332 HydrophobicContact CD1-CB 4.06Å; L328-A332 WeakPolarHBondContact O-CB 3.45Å; L328-A332 PolarHBondContact O-N 2.97Å; A332-F335 PolarHBondContact O-N 2.83Å; A332-I336 WeakPolarHBondContact O-CG1 3.45Å; A332-I336 PolarHBondContact O-N 2.86Å; A332-L370 HydrophobicContact CB-CD1 3.46Å; A332-L370 VanDerWaalsContact CB-CD1 3.46Å
333	G	90.9	Very high	89.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-52.1	170.7	0	0	0	0	0	111.8	L329 F335 I336 V337	L329-G333 WeakPolarHBondContact O-CA 3.34Å; L329-G333 PolarHBondContact O-N 3.46Å; G333-F335 VanDerWaalsContact C-N 3.31Å; G333-F335 PolarHBondContact O-N 3.04Å; G333-I336 PolarHBondContact O-N 3.1Å; G333-V337 WeakPolarHBondContact O-CG2 3.45Å; G333-V337 PolarHBondContact O-N 2.93Å
334	T	88.1	Confident	89.9	Confident	66 Å²	66	29.8 Å²	29.8	41%	0.405	15%	0.152	S	C	.	.	H	α-helix	trans	-59.8	-41	177.4	-56.7	0	0	0	0	112	R330 T331 V337 H338	R330-T334 VanDerWaalsContact O-CB 3.28Å; R330-T334 WeakPolarHBondContact O-CB 3.49Å; R330-T334 PolarHBondContact O-N 3.13Å; R330-T334 PolarHBondContact O-OG1 3.09Å; T331-T334 PolarHBondContact O-N 3.1Å; T334-V337 PolarHBondContact O-N 3.15Å; T334-H338 PolarHBondContact O-CD2 3.22Å; T334-H338 VanDerWaalsContact O-CD2 3.26Å; T334-H338 PolarHBondContact O-N 2.61Å
335	F	89.8	Confident	89.8	Confident	43 Å²	43	31.9 Å²	31.9	19%	0.189	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-51.1	175.3	170.8	-106.5	0	0	0	111.8	F256 V314 L317 T331 A332 G333 H338 M339	F256-F335 HydrophobicContact CE2-CE2 4.03Å; F256-F335 AromaticContact CZ-CE2 3.65Å; F256-F335 HydrophobicContact CZ-CE2 3.65Å; F256-F335 HydrophobicContact CZ-CZ 4.23Å; V314-F335 HydrophobicContact CG2-CD1 4.1Å; V314-F335 HydrophobicContact CG2-CE1 4.1Å; L317-F335 HydrophobicContact CD1-CB 4.14Å; L317-F335 HydrophobicContact CD1-CD1 4.37Å; L317-F335 HydrophobicContact CD1-CG 4.25Å; T331-F335 VanDerWaalsContact O-CB 3.27Å; T331-F335 WeakPolarHBondContact O-CB 3.36Å; T331-F335 PolarHBondContact O-N 3.11Å; A332-F335 PolarHBondContact O-N 2.83Å; G333-F335 VanDerWaalsContact C-N 3.31Å; G333-F335 PolarHBondContact O-N 3.04Å; F335-H338 PolarHBondContact O-N 3.41Å; F335-M339 HydrophobicContact CD1-SD 4.19Å; F335-M339 HydrophobicContact CE1-SD 3.47Å; F335-M339 WeakPolarHBondContact CE1-SD 3.27Å; F335-M339 HydrophobicContact CE2-CG 4.35Å; F335-M339 HydrophobicContact CE2-SD 3.96Å; F335-M339 HydrophobicContact CZ-CG 4.29Å; F335-M339 HydrophobicContact CZ-SD 3.34Å; F335-M339 WeakPolarHBondContact CZ-SD 3.34Å; F335-M339 WeakPolarHBondContact O-CG 3.45Å; F335-M339 PolarHBondContact O-N 3.48Å
336	I	90.8	Very high	89.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.2	-40.3	178.6	-69.4	-59.5	0	0	0	112.1	A310 V314 A332 G333 H338 M339 C340 L370 F416	A310-I336 HydrophobicContact CB-CD1 4.36Å; V314-I336 HydrophobicContact CG2-CD1 4.07Å; V314-I336 HydrophobicContact CG2-CG1 4.32Å; A332-I336 WeakPolarHBondContact O-CG1 3.45Å; A332-I336 PolarHBondContact O-N 2.86Å; G333-I336 PolarHBondContact O-N 3.1Å; I336-H338 VanDerWaalsContact C-N 3.34Å; I336-H338 PolarHBondContact O-N 2.78Å; I336-M339 HydrophobicContact CD1-SD 4.33Å; I336-M339 PolarHBondContact O-N 3.38Å; I336-C340 WeakPolarHBondContact O-CB 3.47Å; I336-C340 PolarHBondContact O-N 3.41Å; I336-C340 PolarHBondContact O-SG 2.92Å; I336-L370 HydrophobicContact CG1-CB 4.02Å; I336-L370 HydrophobicContact CG1-CD2 4.38Å; I336-F416 HydrophobicContact CG2-CD2 4.13Å; I336-F416 HydrophobicContact CG2-CE2 4.32Å
337	V	88.3	Confident	89.7	Confident	15 Å²	15	28.9 Å²	28.9	9%	0.091	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-48	175.7	169.5	0	0	0	0	110.5	G333 T334 M339 C340 E341 I413 F416	G333-V337 WeakPolarHBondContact O-CG2 3.45Å; G333-V337 PolarHBondContact O-N 2.93Å; T334-V337 PolarHBondContact O-N 3.15Å; V337-M339 PolarHBondContact O-N 2.89Å; V337-C340 WeakPolarHBondContact O-CB 3.22Å; V337-C340 PolarHBondContact O-N 3.08Å; V337-E341 HydrophobicContact CG1-CG 4.35Å; V337-E341 WeakPolarHBondContact O-CG 3.36Å; V337-E341 PolarHBondContact O-N 2.96Å; V337-I413 HydrophobicContact CG1-CD1 4.14Å; V337-F416 HydrophobicContact CG2-CD1 3.71Å; V337-F416 HydrophobicContact CG2-CD2 3.9Å; V337-F416 HydrophobicContact CG2-CE1 3.5Å; V337-F416 VanDerWaalsContact CG2-CE1 3.5Å; V337-F416 HydrophobicContact CG2-CE2 3.7Å; V337-F416 HydrophobicContact CG2-CG 3.91Å; V337-F416 HydrophobicContact CG2-CZ 3.5Å
338	H	87.1	Confident	89.6	Confident	97 Å²	97	29.4 Å²	29.4	45%	0.449	14%	0.14	S	C	.	.	H	α-helix	trans	-63.5	-38.8	177.2	-74.9	-43.3	0	0	0	113	T334 F335 I336 C340 E341 D342	T334-H338 PolarHBondContact O-CD2 3.22Å; T334-H338 VanDerWaalsContact O-CD2 3.26Å; T334-H338 PolarHBondContact O-N 2.61Å; F335-H338 PolarHBondContact O-N 3.41Å; I336-H338 VanDerWaalsContact C-N 3.34Å; I336-H338 PolarHBondContact O-N 2.78Å; H338-C340 VanDerWaalsContact C-N 3.34Å; H338-C340 PolarHBondContact O-N 2.88Å; H338-E341 IonicContact CE1-OE2 3.49Å; H338-E341 IonicContact ND1-OE2 2.86Å; H338-E341 PolarHBondContact ND1-OE2 3.38Å; H338-E341 VanDerWaalsContact ND1-OE2 3.12Å; H338-E341 PolarHBondContact O-N 3.11Å; H338-D342 WeakPolarHBondContact O-CB 3.11Å; H338-D342 PolarHBondContact O-N 3.15Å
339	M	88.4	Confident	89.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-44.7	172.5	-71.1	-169.8	74.3	0	0	111.6	F256 L306 A310 F335 I336 V337 D342 E343	F256-M339 HydrophobicContact CE1-CG 3.93Å; F256-M339 HydrophobicContact CZ-CG 4.04Å; F256-M339 HydrophobicContact CZ-SD 4.31Å; L306-M339 HydrophobicContact CD2-CE 4.24Å; A310-M339 HydrophobicContact CB-CE 3.92Å; A310-M339 HydrophobicContact CB-SD 4.01Å; F335-M339 HydrophobicContact CD1-SD 4.19Å; F335-M339 HydrophobicContact CE1-SD 3.47Å; F335-M339 WeakPolarHBondContact CE1-SD 3.27Å; F335-M339 HydrophobicContact CE2-CG 4.35Å; F335-M339 HydrophobicContact CE2-SD 3.96Å; F335-M339 HydrophobicContact CZ-CG 4.29Å; F335-M339 HydrophobicContact CZ-SD 3.34Å; F335-M339 WeakPolarHBondContact CZ-SD 3.34Å; F335-M339 WeakPolarHBondContact O-CG 3.45Å; F335-M339 PolarHBondContact O-N 3.48Å; I336-M339 HydrophobicContact CD1-SD 4.33Å; I336-M339 PolarHBondContact O-N 3.38Å; V337-M339 PolarHBondContact O-N 2.89Å; M339-D342 PolarHBondContact O-N 2.83Å; M339-E343 WeakPolarHBondContact O-CB 3.28Å; M339-E343 WeakPolarHBondContact O-CG 3.37Å; M339-E343 PolarHBondContact O-N 3.4Å
340	C	88.7	Confident	89.3	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-63.7	-43	177.1	-71.1	0	0	0	0	112.2	I336 V337 H338 E343 M344 L363 I413	I336-C340 WeakPolarHBondContact O-CB 3.47Å; I336-C340 PolarHBondContact O-N 3.41Å; I336-C340 PolarHBondContact O-SG 2.92Å; V337-C340 WeakPolarHBondContact O-CB 3.22Å; V337-C340 PolarHBondContact O-N 3.08Å; H338-C340 VanDerWaalsContact C-N 3.34Å; H338-C340 PolarHBondContact O-N 2.88Å; C340-E343 PolarHBondContact O-N 3.23Å; C340-M344 WeakPolarHBondContact O-CB 3.43Å; C340-M344 PolarHBondContact O-N 3.13Å; C340-L363 HydrophobicContact CB-CD2 4.07Å; C340-I413 HydrophobicContact CB-CD1 4.43Å; C340-I413 HydrophobicContact CB-CG2 4.12Å
341	E	87.4	Confident	89.3	Confident	44 Å²	44	28.4 Å²	28.4	21%	0.206	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-44.1	175.7	-73.6	179.5	157.8	0	0	111.9	V337 H338 M344 R345 I413	V337-E341 HydrophobicContact CG1-CG 4.35Å; V337-E341 WeakPolarHBondContact O-CG 3.36Å; V337-E341 PolarHBondContact O-N 2.96Å; H338-E341 IonicContact CE1-OE2 3.49Å; H338-E341 IonicContact ND1-OE2 2.86Å; H338-E341 PolarHBondContact ND1-OE2 3.38Å; H338-E341 VanDerWaalsContact ND1-OE2 3.12Å; H338-E341 PolarHBondContact O-N 3.11Å; E341-M344 PolarHBondContact O-N 2.71Å; E341-R345 WeakPolarHBondContact O-CB 3.36Å; E341-R345 PolarHBondContact O-N 3.24Å; E341-I413 HydrophobicContact CG-CD1 3.95Å
342	D	87.7	Confident	89	Confident	35 Å²	35	27.4 Å²	27.4	19%	0.187	13%	0.133	C	C	.	.	H	α-helix	trans	-67.7	-38.9	178.7	-89.8	-36.1	0	0	0	112.2	Y260 R264 H338 M339 R345 L346	Y260-D342 HydrophobicContact CD1-CB 4.26Å; Y260-D342 HydrophobicContact CE1-CB 3.65Å; Y260-D342 HydrophobicContact CE2-CB 4.27Å; R264-D342 IonicContact NH2-OD1 3.41Å; R264-D342 PolarHBondContact NH2-OD1 2.91Å; H338-D342 WeakPolarHBondContact O-CB 3.11Å; H338-D342 PolarHBondContact O-N 3.15Å; M339-D342 PolarHBondContact O-N 2.83Å; D342-R345 PolarHBondContact O-N 3.14Å; D342-R345 IonicContact OD1-CZ 3.51Å; D342-R345 IonicContact OD1-NH1 3.71Å; D342-R345 PolarHBondContact OD1-NH1 2.96Å; D342-L346 VanDerWaalsContact O-CB 3.29Å; D342-L346 WeakPolarHBondContact O-CB 3.49Å; D342-L346 PolarHBondContact O-N 3.35Å
343	E	89.4	Confident	88.1	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-64	-46.7	172.3	-78.9	-43.4	122.9	0	0	112.3	Y260 R302 L306 M339 C340 R345 L346 F347 M362 L363 L366	Y260-E343 WeakPolarHBondContact CE1-OE1 3.33Å; Y260-E343 PolarHBondContact OH-OE1 3.5Å; R302-E343 IonicContact CZ-OE1 3.98Å; R302-E343 IonicContact CZ-OE2 2.83Å; R302-E343 IonicContact NE-OE1 2.97Å; R302-E343 IonicContact NE-OE2 3.63Å; R302-E343 PolarHBondContact NE-OE2 3.5Å; R302-E343 IonicContact NH2-OE1 3.77Å; R302-E343 PolarHBondContact NH2-OE1 2.97Å; R302-E343 IonicContact NH2-OE2 3.4Å; R302-E343 PolarHBondContact NH2-OE2 3.32Å; L306-E343 HydrophobicContact CD1-CG 3.72Å; L306-E343 WeakPolarHBondContact CD1-OE1 3.33Å; L306-E343 WeakPolarHBondContact CD1-OE2 3.28Å; M339-E343 WeakPolarHBondContact O-CB 3.28Å; M339-E343 WeakPolarHBondContact O-CG 3.37Å; M339-E343 PolarHBondContact O-N 3.4Å; C340-E343 PolarHBondContact O-N 3.23Å; E343-R345 VanDerWaalsContact C-N 3.31Å; E343-R345 PolarHBondContact O-N 3.06Å; E343-L346 PolarHBondContact O-N 3.47Å; E343-F347 WeakPolarHBondContact O-CB 3.5Å; E343-F347 PolarHBondContact O-N 3.06Å; E343-M362 HydrophobicContact CG-CE 4.2Å; E343-L363 HydrophobicContact CB-CD2 4.1Å; E343-L366 HydrophobicContact CG-CD1 4.27Å
344	M	87.8	Confident	87.2	Confident	11 Å²	11	37.3 Å²	37.3	5%	0.054	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-43.6	177.8	-175.8	65.6	79	0	0	110.9	C340 E341 L346 F347 N348 I359 L363 P411	C340-M344 WeakPolarHBondContact O-CB 3.43Å; C340-M344 PolarHBondContact O-N 3.13Å; E341-M344 PolarHBondContact O-N 2.71Å; M344-L346 VanDerWaalsContact C-N 3.34Å; M344-L346 PolarHBondContact O-N 3Å; M344-F347 PolarHBondContact O-N 2.91Å; M344-N348 WeakPolarHBondContact O-CB 3.48Å; M344-N348 PolarHBondContact O-N 2.91Å; M344-N348 PolarHBondContact O-ND2 3.32Å; M344-I359 HydrophobicContact CB-CD1 4.44Å; M344-I359 HydrophobicContact CE-CD1 4.42Å; M344-I359 HydrophobicContact CE-CG2 3.37Å; M344-I359 HydrophobicContact SD-CD1 4.02Å; M344-I359 HydrophobicContact SD-CG2 3.81Å; M344-L363 HydrophobicContact CE-CD1 3.9Å; M344-P411 HydrophobicContact CB-CG 4.42Å; M344-P411 HydrophobicContact CE-CB 4.19Å; M344-P411 HydrophobicContact CG-CB 3.7Å; M344-P411 HydrophobicContact CG-CG 3.99Å
345	R	88	Confident	86	Confident	116 Å²	116	37.3 Å²	37.3	44%	0.438	19%	0.185	S	C	.	.	H	α-helix	trans	-61.7	-42.1	176.4	-174.6	-178	-64.3	120.1	3.6	111.6	E341 D342 E343 Q349	E341-R345 WeakPolarHBondContact O-CB 3.36Å; E341-R345 PolarHBondContact O-N 3.24Å; D342-R345 PolarHBondContact O-N 3.14Å; D342-R345 IonicContact OD1-CZ 3.51Å; D342-R345 IonicContact OD1-NH1 3.71Å; D342-R345 PolarHBondContact OD1-NH1 2.96Å; E343-R345 VanDerWaalsContact C-N 3.31Å; E343-R345 PolarHBondContact O-N 3.06Å; R345-Q349 WeakPolarHBondContact O-CG 3.06Å; R345-Q349 PolarHBondContact O-N 2.7Å
346	L	90.3	Very high	84.9	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.9	-45.9	178.2	-178.2	64.3	0	0	0	111.5	Y260 F263 R264 Y298 R302 D342 E343 M344 N348 Q349 F350	Y260-L346 HydrophobicContact CD1-CB 4.36Å; Y260-L346 HydrophobicContact CD1-CD2 3.92Å; Y260-L346 HydrophobicContact CE1-CD2 4.27Å; F263-L346 HydrophobicContact CB-CD1 4.03Å; F263-L346 HydrophobicContact CB-CD2 3.87Å; F263-L346 HydrophobicContact CG-CD2 4.37Å; R264-L346 HydrophobicContact CG-CD1 3.66Å; Y298-L346 VanDerWaalsContact OH-CD2 3.25Å; Y298-L346 WeakPolarHBondContact OH-CD2 3.4Å; Y298-L346 WeakPolarHBondContact OH-CG 3.48Å; R302-L346 VanDerWaalsContact NH2-CD2 3.3Å; D342-L346 VanDerWaalsContact O-CB 3.29Å; D342-L346 WeakPolarHBondContact O-CB 3.49Å; D342-L346 PolarHBondContact O-N 3.35Å; E343-L346 PolarHBondContact O-N 3.47Å; M344-L346 VanDerWaalsContact C-N 3.34Å; M344-L346 PolarHBondContact O-N 3Å; L346-N348 VanDerWaalsContact C-N 3.31Å; L346-N348 PolarHBondContact O-N 3.32Å; L346-Q349 WeakPolarHBondContact O-CB 3.36Å; L346-Q349 PolarHBondContact O-N 2.85Å; L346-F350 HydrophobicContact CD1-CE2 3.66Å; L346-F350 HydrophobicContact CD1-CZ 3.78Å; L346-F350 HydrophobicContact CD2-CE2 4.22Å; L346-F350 HydrophobicContact CG-CD2 4.36Å; L346-F350 HydrophobicContact CG-CE2 3.61Å; L346-F350 HydrophobicContact CG-CZ 4.23Å; L346-F350 VanDerWaalsContact O-CD2 3.29Å; L346-F350 WeakPolarHBondContact O-CD2 3.33Å; L346-F350 PolarHBondContact O-N 3.17Å
347	F	90.9	Very high	84.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.5	-46.1	175.7	-177.3	-91.3	0	0	0	111.2	Y298 L299 E343 M344 Q349 F350 F351 I359	Y298-F347 AromaticContact CD1-CD2 3.9Å; Y298-F347 HydrophobicContact CD1-CD2 3.9Å; Y298-F347 HydrophobicContact CD1-CE2 4.31Å; Y298-F347 HydrophobicContact CE1-CB 4.49Å; Y298-F347 AromaticContact CE1-CD2 3.76Å; Y298-F347 HydrophobicContact CE1-CD2 3.76Å; L299-F347 HydrophobicContact CD1-CE2 4.42Å; L299-F347 HydrophobicContact CD2-CD2 3.98Å; L299-F347 HydrophobicContact CD2-CE2 4.05Å; L299-F347 HydrophobicContact CG-CE2 4.29Å; E343-F347 WeakPolarHBondContact O-CB 3.5Å; E343-F347 PolarHBondContact O-N 3.06Å; M344-F347 PolarHBondContact O-N 2.91Å; F347-Q349 PolarHBondContact O-N 3.48Å; F347-F350 PolarHBondContact O-N 3.36Å; F347-F351 HydrophobicContact CD1-CB 4.37Å; F347-F351 HydrophobicContact CD1-CD2 4.3Å; F347-F351 AromaticContact CD2-CD2 3.54Å; F347-F351 HydrophobicContact CD2-CD2 3.54Å; F347-F351 AromaticContact CD2-CE2 3.98Å; F347-F351 HydrophobicContact CD2-CE2 3.98Å; F347-F351 HydrophobicContact CE1-CB 3.89Å; F347-F351 HydrophobicContact CE1-CD2 4.13Å; F347-F351 HydrophobicContact CE1-CG 4.42Å; F347-F351 AromaticContact CE2-CD2 3.34Å; F347-F351 HydrophobicContact CE2-CD2 3.34Å; F347-F351 AromaticContact CE2-CE2 3.81Å; F347-F351 HydrophobicContact CE2-CE2 3.81Å; F347-F351 HydrophobicContact CE2-CG 4.19Å; F347-F351 HydrophobicContact CG-CD2 4.02Å; F347-F351 HydrophobicContact CZ-CB 3.98Å; F347-F351 AromaticContact CZ-CD2 3.66Å; F347-F351 HydrophobicContact CZ-CD2 3.66Å; F347-F351 HydrophobicContact CZ-CE2 4.49Å; F347-F351 HydrophobicContact CZ-CG 4.07Å; F347-F351 PolarHBondContact O-N 3.07Å; F347-I359 HydrophobicContact CB-CD1 3.56Å; F347-I359 HydrophobicContact CD1-CD1 4.35Å; F347-I359 HydrophobicContact CD2-CD1 4.26Å; F347-I359 HydrophobicContact CD2-CG1 4.48Å; F347-I359 HydrophobicContact CG-CD1 3.81Å; F347-I359 HydrophobicContact CG-CG1 4.45Å
348	N	89.2	Confident	83.6	Confident	55 Å²	55	46 Å²	46	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-68.3	-14.6	178.9	-70.7	-25	0	0	0	114.2	M344 L346 F351	M344-N348 WeakPolarHBondContact O-CB 3.48Å; M344-N348 PolarHBondContact O-N 2.91Å; M344-N348 PolarHBondContact O-ND2 3.32Å; L346-N348 VanDerWaalsContact C-N 3.31Å; L346-N348 PolarHBondContact O-N 3.32Å; N348-F351 CarbonylContact C-O 3.57Å; N348-F351 WeakPolarHBondContact CA-O 3.4Å
349	Q	88.9	Confident	83.5	Confident	72 Å²	72	41.5 Å²	41.5	34%	0.336	21%	0.212	S	C	.	.	H	α-helix	trans	-78.1	-27.7	170.1	-73.5	175.8	18.2	0	0	112.3	R271 R345 L346 F347	R271-Q349 WeakPolarHBondContact CD-O 3.41Å; R345-Q349 WeakPolarHBondContact O-CG 3.06Å; R345-Q349 PolarHBondContact O-N 2.7Å; L346-Q349 WeakPolarHBondContact O-CB 3.36Å; L346-Q349 PolarHBondContact O-N 2.85Å; F347-Q349 PolarHBondContact O-N 3.48Å
350	F	90.4	Very high	83.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-91	-44.2	178.1	-57.9	-51.9	0	0	0	111.8	F263 I270 R271 Y298 L346 F347	F263-F350 HydrophobicContact CB-CZ 4.03Å; F263-F350 HydrophobicContact CD1-CE2 4.34Å; F263-F350 HydrophobicContact CD1-CZ 4.16Å; F263-F350 WeakPolarHBondContact O-CE1 3.12Å; F263-F350 WeakPolarHBondContact O-CZ 3.31Å; I270-F350 HydrophobicContact CB-CD1 3.91Å; I270-F350 HydrophobicContact CB-CE1 4.49Å; I270-F350 HydrophobicContact CD1-CD1 3.92Å; I270-F350 HydrophobicContact CD1-CE1 3.8Å; I270-F350 HydrophobicContact CD1-CZ 4.45Å; I270-F350 HydrophobicContact CG1-CD1 4.48Å; I270-F350 HydrophobicContact CG2-CB 4.02Å; I270-F350 HydrophobicContact CG2-CD1 4.02Å; I270-F350 HydrophobicContact CG2-CG 4.3Å; R271-F350 VanDerWaalsContact CD-O 3.23Å; R271-F350 WeakPolarHBondContact CD-O 3.36Å; Y298-F350 HydrophobicContact CD2-CD2 4.37Å; Y298-F350 HydrophobicContact CD2-CE2 4.4Å; Y298-F350 AromaticContact CE2-CD2 3.66Å; Y298-F350 HydrophobicContact CE2-CD2 3.66Å; Y298-F350 AromaticContact CE2-CE2 3.44Å; Y298-F350 HydrophobicContact CE2-CE2 3.44Å; Y298-F350 VanDerWaalsContact CE2-CE2 3.44Å; Y298-F350 HydrophobicContact CE2-CZ 4.47Å; Y298-F350 AromaticContact CZ-CD2 3.79Å; Y298-F350 AromaticContact CZ-CE2 3.72Å; L346-F350 HydrophobicContact CD1-CE2 3.66Å; L346-F350 HydrophobicContact CD1-CZ 3.78Å; L346-F350 HydrophobicContact CD2-CE2 4.22Å; L346-F350 HydrophobicContact CG-CD2 4.36Å; L346-F350 HydrophobicContact CG-CE2 3.61Å; L346-F350 HydrophobicContact CG-CZ 4.23Å; L346-F350 VanDerWaalsContact O-CD2 3.29Å; L346-F350 WeakPolarHBondContact O-CD2 3.33Å; L346-F350 PolarHBondContact O-N 3.17Å; F347-F350 PolarHBondContact O-N 3.36Å
351	F	91.2	Very high	83.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-122.9	155.5	-169.4	-49	-68.8	0	0	0	111.6	M274 E278 C294 H295 Y298 F347 N348	M274-F351 HydrophobicContact CB-CD1 4.38Å; M274-F351 HydrophobicContact CE-CD1 3.72Å; M274-F351 HydrophobicContact CE-CE1 3.72Å; M274-F351 HydrophobicContact CG-CD1 3.85Å; M274-F351 HydrophobicContact CG-CE1 3.71Å; M274-F351 HydrophobicContact SD-CD1 4.36Å; M274-F351 HydrophobicContact SD-CE1 3.96Å; E278-F351 WeakPolarHBondContact OE1-CA 3.43Å; C294-F351 HydrophobicContact CB-CE1 4.5Å; H295-F351 AromaticContact CD2-CD1 3.35Å; H295-F351 WeakPolarHBondContact CD2-CD1 3.28Å; H295-F351 AromaticContact CD2-CD2 3.98Å; H295-F351 AromaticContact CD2-CE1 3.46Å; H295-F351 VanDerWaalsContact CD2-CE1 3.46Å; H295-F351 WeakPolarHBondContact CD2-CE1 3.4Å; H295-F351 AromaticContact CD2-CG 3.61Å; H295-F351 AromaticContact CD2-CZ 3.84Å; H295-F351 AromaticContact NE2-CD1 3.15Å; H295-F351 WeakPolarHBondContact NE2-CD1 3.37Å; H295-F351 AromaticContact NE2-CE1 3.78Å; H295-F351 AromaticContact NE2-CG 3.35Å; H295-F351 WeakPolarHBondContact NE2-CG 3.26Å; Y298-F351 AromaticContact CD1-CE2 3.86Å; Y298-F351 HydrophobicContact CD1-CE2 3.86Å; Y298-F351 HydrophobicContact CD2-CE2 4.45Å; Y298-F351 HydrophobicContact CE1-CE2 4.44Å; Y298-F351 AromaticContact CG-CE2 3.87Å; Y298-F351 HydrophobicContact CG-CE2 3.87Å; Y298-F351 HydrophobicContact CG-CZ 4.3Å; F347-F351 HydrophobicContact CD1-CB 4.37Å; F347-F351 HydrophobicContact CD1-CD2 4.3Å; F347-F351 AromaticContact CD2-CD2 3.54Å; F347-F351 HydrophobicContact CD2-CD2 3.54Å; F347-F351 AromaticContact CD2-CE2 3.98Å; F347-F351 HydrophobicContact CD2-CE2 3.98Å; F347-F351 HydrophobicContact CE1-CB 3.89Å; F347-F351 HydrophobicContact CE1-CD2 4.13Å; F347-F351 HydrophobicContact CE1-CG 4.42Å; F347-F351 AromaticContact CE2-CD2 3.34Å; F347-F351 HydrophobicContact CE2-CD2 3.34Å; F347-F351 AromaticContact CE2-CE2 3.81Å; F347-F351 HydrophobicContact CE2-CE2 3.81Å; F347-F351 HydrophobicContact CE2-CG 4.19Å; F347-F351 HydrophobicContact CG-CD2 4.02Å; F347-F351 HydrophobicContact CZ-CB 3.98Å; F347-F351 AromaticContact CZ-CD2 3.66Å; F347-F351 HydrophobicContact CZ-CD2 3.66Å; F347-F351 HydrophobicContact CZ-CE2 4.49Å; F347-F351 HydrophobicContact CZ-CG 4.07Å; F347-F351 PolarHBondContact O-N 3.07Å; N348-F351 CarbonylContact C-O 3.57Å; N348-F351 WeakPolarHBondContact CA-O 3.4Å
352	S	84.4	Confident	83.3	Confident	20 Å²	20	48.6 Å²	48.6	14%	0.14	25%	0.247	C	C	.	.			trans	-72.6	142	178.7	-178.6	0	0	0	0	111	R271 E278 N354 F355	R271-S352 VanDerWaalsContact NH1-N 3.11Å; E278-S352 VanDerWaalsContact CD-CB 3.48Å; E278-S352 PolarHBondContact OE1-N 3.09Å; E278-S352 VanDerWaalsContact OE2-CB 3.3Å; E278-S352 WeakPolarHBondContact OE2-CB 3.42Å; S352-N354 PolarHBondContact O-N 3.37Å; S352-F355 PolarHBondContact O-N 2.87Å; S352-F355 VanDerWaalsContact O-N 3.15Å
353	P	73.1	Confident	83.5	Confident	72 Å²	72	47 Å²	47	47%	0.468	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-60.3	-20.3	-178.5	24.3	-36	0	0	0	113.8	F355 S356	P353-F355 PolarHBondContact O-N 3.36Å; P353-S356 WeakPolarHBondContact O-CB 3.32Å; P353-S356 PolarHBondContact O-N 2.88Å; P353-S356 VanDerWaalsContact O-N 3.11Å; P353-S356 PolarHBondContact O-OG 3.36Å
354	N	71	Confident	83.5	Confident	136 Å²	136	50.1 Å²	50.1	73%	0.727	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-60.2	-16.3	177.6	-62.3	-4.2	0	0	0	113.3	S352	S352-N354 PolarHBondContact O-N 3.37Å
355	F	63.8	Low	83.6	Confident	65 Å²	65	54.3 Å²	54.3	29%	0.285	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-110.3	19	-179	-55.7	-73.4	0	0	0	113.3	E278 I281 H295 S352 P353 Q357 S358	E278-F355 HydrophobicContact CG-CE2 4.19Å; I281-F355 HydrophobicContact CD1-CE1 3.79Å; I281-F355 HydrophobicContact CD1-CE2 3.73Å; I281-F355 HydrophobicContact CD1-CZ 3.06Å; H295-F355 WeakPolarHBondContact CE1-CB 3.3Å; H295-F355 AromaticContact CE1-CG 3.94Å; S352-F355 PolarHBondContact O-N 2.87Å; S352-F355 VanDerWaalsContact O-N 3.15Å; P353-F355 PolarHBondContact O-N 3.36Å; F355-Q357 PolarHBondContact O-N 2.76Å; F355-S358 PolarHBondContact O-OG 2.64Å
356	S	66.1	Low	83.7	Confident	38 Å²	38	48.8 Å²	48.8	27%	0.266	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-61.5	-23.1	-174.9	59.9	0	0	0	0	114.5	P353 S358 I359	P353-S356 WeakPolarHBondContact O-CB 3.32Å; P353-S356 PolarHBondContact O-N 2.88Å; P353-S356 VanDerWaalsContact O-N 3.11Å; P353-S356 PolarHBondContact O-OG 3.36Å; S356-S358 PolarHBondContact O-N 3.44Å; S356-I359 WeakPolarHBondContact O-CG2 3.38Å; S356-I359 PolarHBondContact O-N 3.29Å
357	Q	73.5	Confident	83.8	Confident	164 Å²	164	48.8 Å²	48.8	77%	0.766	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-55.1	-30.7	-175	-70.8	-177.8	-11.5	0	0	114.5	F355 I359 N360	F355-Q357 PolarHBondContact O-N 2.76Å; Q357-I359 VanDerWaalsContact C-N 3.33Å; Q357-I359 PolarHBondContact O-N 2.86Å; Q357-N360 PolarHBondContact O-N 2.89Å
358	S	78.2	Confident	83.9	Confident	39 Å²	39	53.9 Å²	53.9	27%	0.273	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-68.2	-29.4	178.3	50.2	0	0	0	0	113.5	L299 F355 S356 N360	L299-S358 WeakPolarHBondContact CD1-O 3.41Å; F355-S358 PolarHBondContact O-OG 2.64Å; S356-S358 PolarHBondContact O-N 3.44Å; S358-N360 VanDerWaalsContact C-N 3.31Å; S358-N360 PolarHBondContact O-N 3.31Å
359	I	86.1	Confident	84	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-71	-29.6	-178.6	-156.2	-178.4	0	0	0	111.7	L299 M344 F347 S356 Q357 Q361 M362 L363	L299-I359 HydrophobicContact CD2-CB 4.26Å; L299-I359 HydrophobicContact CD2-CG1 3.81Å; M344-I359 HydrophobicContact CB-CD1 4.44Å; M344-I359 HydrophobicContact CE-CD1 4.42Å; M344-I359 HydrophobicContact CE-CG2 3.37Å; M344-I359 HydrophobicContact SD-CD1 4.02Å; M344-I359 HydrophobicContact SD-CG2 3.81Å; F347-I359 HydrophobicContact CB-CD1 3.56Å; F347-I359 HydrophobicContact CD1-CD1 4.35Å; F347-I359 HydrophobicContact CD2-CD1 4.26Å; F347-I359 HydrophobicContact CD2-CG1 4.48Å; F347-I359 HydrophobicContact CG-CD1 3.81Å; F347-I359 HydrophobicContact CG-CG1 4.45Å; S356-I359 WeakPolarHBondContact O-CG2 3.38Å; S356-I359 PolarHBondContact O-N 3.29Å; Q357-I359 VanDerWaalsContact C-N 3.33Å; Q357-I359 PolarHBondContact O-N 2.86Å; I359-Q361 PolarHBondContact O-N 2.88Å; I359-Q361 VanDerWaalsContact O-N 3.13Å; I359-M362 WeakPolarHBondContact O-CB 3.45Å; I359-M362 PolarHBondContact O-N 3.17Å; I359-L363 HydrophobicContact CG1-CD1 4.48Å; I359-L363 HydrophobicContact CG1-CD2 4.47Å; I359-L363 HydrophobicContact CG1-CG 4.19Å; I359-L363 HydrophobicContact CG2-CD1 4.09Å; I359-L363 WeakPolarHBondContact O-CG 3.27Å; I359-L363 PolarHBondContact O-N 3.29Å
360	N	85.3	Confident	84.2	Confident	42 Å²	42	48.5 Å²	48.5	23%	0.225	24%	0.243	C	C	.	.	H	α-helix	trans	-58.8	-32.4	-175.1	-69	-19.4	0	0	0	112.4	Q357 S358 L363 F364	Q357-N360 PolarHBondContact O-N 2.89Å; S358-N360 VanDerWaalsContact C-N 3.31Å; S358-N360 PolarHBondContact O-N 3.31Å; N360-L363 PolarHBondContact O-N 2.9Å; N360-F364 WeakPolarHBondContact O-CB 3.26Å; N360-F364 PolarHBondContact O-N 2.84Å
361	Q	85.9	Confident	84.3	Confident	148 Å²	148	49.2 Å²	49.2	69%	0.692	25%	0.246	S	C	*	.	H	α-helix	trans	-66.4	-40.8	176.2	-65.6	-177.4	-4.1	0	0	112.4	I359 K365	I359-Q361 PolarHBondContact O-N 2.88Å; I359-Q361 VanDerWaalsContact O-N 3.13Å; Q361-K365 PolarHBondContact O-N 3.48Å
362	M	88.5	Confident	84.5	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.02	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-44.1	175.5	176.6	-170.1	163.4	0	0	110.5	L299 R302 E303 L306 E343 I359 F364 K365 L366	L299-M362 HydrophobicContact CB-SD 4.44Å; L299-M362 HydrophobicContact CD2-SD 3.74Å; R302-M362 HydrophobicContact CB-CE 3.76Å; R302-M362 HydrophobicContact CB-SD 4.24Å; E303-M362 HydrophobicContact CB-CG 4.03Å; E303-M362 HydrophobicContact CB-SD 4.43Å; E303-M362 HydrophobicContact CG-CG 4.3Å; L306-M362 HydrophobicContact CD1-CE 3.34Å; E343-M362 HydrophobicContact CG-CE 4.2Å; I359-M362 WeakPolarHBondContact O-CB 3.45Å; I359-M362 PolarHBondContact O-N 3.17Å; M362-F364 VanDerWaalsContact C-N 3.28Å; M362-F364 PolarHBondContact O-N 2.74Å; M362-K365 WeakPolarHBondContact O-CB 3.35Å; M362-K365 PolarHBondContact O-N 2.93Å; M362-K365 VanDerWaalsContact O-N 3.09Å; M362-L366 HydrophobicContact CE-CD1 4.26Å; M362-L366 PolarHBondContact O-N 3.47Å
363	L	90.8	Very high	84.8	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-39.1	176.3	-62.4	-176	0	0	0	111.6	C340 E343 M344 I359 N360 K365 L366 C367 A415	C340-L363 HydrophobicContact CB-CD2 4.07Å; E343-L363 HydrophobicContact CB-CD2 4.1Å; M344-L363 HydrophobicContact CE-CD1 3.9Å; I359-L363 HydrophobicContact CG1-CD1 4.48Å; I359-L363 HydrophobicContact CG1-CD2 4.47Å; I359-L363 HydrophobicContact CG1-CG 4.19Å; I359-L363 HydrophobicContact CG2-CD1 4.09Å; I359-L363 WeakPolarHBondContact O-CG 3.27Å; I359-L363 PolarHBondContact O-N 3.29Å; N360-L363 PolarHBondContact O-N 2.9Å; L363-K365 VanDerWaalsContact C-N 3.29Å; L363-K365 PolarHBondContact O-N 3.34Å; L363-L366 HydrophobicContact CD2-CD1 4.26Å; L363-L366 PolarHBondContact O-N 3.36Å; L363-C367 WeakPolarHBondContact O-CB 3.14Å; L363-C367 PolarHBondContact O-N 2.91Å; L363-C367 PolarHBondContact O-SG 3.34Å; L363-A415 HydrophobicContact CB-CB 3.94Å
364	F	90	Very high	85.7	Confident	68 Å²	68	50.4 Å²	50.4	30%	0.298	25%	0.25	S	C	.	.	H	α-helix	trans	-60.1	-38.3	175.3	-170.2	-94.4	0	0	0	112.4	N360 M362 C367 R368 A415 D418 M422	N360-F364 WeakPolarHBondContact O-CB 3.26Å; N360-F364 PolarHBondContact O-N 2.84Å; M362-F364 VanDerWaalsContact C-N 3.28Å; M362-F364 PolarHBondContact O-N 2.74Å; F364-C367 PolarHBondContact O-N 3.49Å; F364-R368 WeakPolarHBondContact O-CB 3.45Å; F364-R368 PolarHBondContact O-N 3.16Å; F364-A415 HydrophobicContact CB-CB 4.16Å; F364-A415 HydrophobicContact CD2-CB 4.45Å; F364-D418 HydrophobicContact CE2-CB 4.29Å; F364-M422 HydrophobicContact CE2-CE 4.29Å; F364-M422 HydrophobicContact CZ-CE 4.05Å
365	K	89.8	Confident	86.8	Confident	98 Å²	98	48.8 Å²	48.8	43%	0.426	23%	0.234	S	C	.	.	H	α-helix	trans	-70.3	-36	175.6	-66.9	176.4	-178.7	176.3	0	112.7	E303 Q361 M362 L363 R368 C369	E303-K365 HydrophobicContact CG-CD 4.28Å; E303-K365 WeakPolarHBondContact OE1-CD 3.43Å; E303-K365 WeakPolarHBondContact OE1-CE 3.39Å; E303-K365 IonicContact OE1-NZ 3.91Å; E303-K365 PolarHBondContact OE1-NZ 3.38Å; E303-K365 WeakPolarHBondContact OE2-CD 3.4Å; E303-K365 IonicContact OE2-NZ 2.74Å; E303-K365 PolarHBondContact OE2-NZ 2.91Å; Q361-K365 PolarHBondContact O-N 3.48Å; M362-K365 WeakPolarHBondContact O-CB 3.35Å; M362-K365 PolarHBondContact O-N 2.93Å; M362-K365 VanDerWaalsContact O-N 3.09Å; L363-K365 VanDerWaalsContact C-N 3.29Å; L363-K365 PolarHBondContact O-N 3.34Å; K365-R368 WeakPolarHBondContact O-CB 3.44Å; K365-R368 PolarHBondContact O-N 3.42Å; K365-C369 PolarHBondContact O-N 2.77Å; K365-C369 PolarHBondContact O-SG 2.82Å; K365-C369 VanDerWaalsContact O-SG 3.39Å
366	L	90.7	Very high	88.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-47.2	172	-67.1	176.8	0	0	0	110.9	L306 A310 E343 M362 L363 R368 C369	L306-L366 HydrophobicContact CB-CD2 4.03Å; A310-L366 HydrophobicContact CB-CD2 4.1Å; E343-L366 HydrophobicContact CG-CD1 4.27Å; M362-L366 HydrophobicContact CE-CD1 4.26Å; M362-L366 PolarHBondContact O-N 3.47Å; L363-L366 HydrophobicContact CD2-CD1 4.26Å; L363-L366 PolarHBondContact O-N 3.36Å; L366-R368 PolarHBondContact O-N 3.42Å; L366-C369 VanDerWaalsContact O-CB 3.23Å; L366-C369 WeakPolarHBondContact O-CB 3.47Å; L366-C369 PolarHBondContact O-N 2.88Å
367	C	91.8	Very high	89.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-38	173.3	-73.2	0	0	0	0	112.1	L363 F364 C369 L370 Y371 L419	L363-C367 WeakPolarHBondContact O-CB 3.14Å; L363-C367 PolarHBondContact O-N 2.91Å; L363-C367 PolarHBondContact O-SG 3.34Å; F364-C367 PolarHBondContact O-N 3.49Å; C367-C369 PolarHBondContact O-N 3.44Å; C367-L370 WeakPolarHBondContact O-CB 3.33Å; C367-L370 PolarHBondContact O-N 3.35Å; C367-L370 VanDerWaalsContact O-N 3.08Å; C367-Y371 PolarHBondContact O-N 2.91Å; C367-L419 HydrophobicContact CB-CB 4.12Å; C367-L419 HydrophobicContact CB-CD2 3.86Å; C367-L419 HydrophobicContact CB-CG 4.44Å; C367-L419 WeakPolarHBondContact O-CD2 3.36Å
368	R	92.9	Very high	90.2	Very high	106 Å²	106	41.8 Å²	41.8	40%	0.4	21%	0.205	S	C	.	.	H	α-helix	trans	-62	-27.5	176.5	-168.4	125.4	177.5	151.4	-4.5	113.5	F364 K365 L366 L370 Y371 D372	F364-R368 WeakPolarHBondContact O-CB 3.45Å; F364-R368 PolarHBondContact O-N 3.16Å; K365-R368 WeakPolarHBondContact O-CB 3.44Å; K365-R368 PolarHBondContact O-N 3.42Å; L366-R368 PolarHBondContact O-N 3.42Å; R368-L370 PolarHBondContact O-N 3.08Å; R368-Y371 WeakPolarHBondContact O-CB 3.23Å; R368-Y371 PolarHBondContact O-N 2.72Å; R368-Y371 VanDerWaalsContact O-N 3.13Å; R368-D372 WeakPolarHBondContact CG-OD2 3.29Å; R368-D372 IonicContact NE-OD1 3.91Å; R368-D372 IonicContact NE-OD2 2.68Å; R368-D372 PolarHBondContact O-N 3.1Å
369	C	92.5	Very high	90.8	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.081	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-37.9	174.3	-60.3	0	0	0	0	111.4	A310 Q311 K365 L366 C367 A373	A310-C369 HydrophobicContact CB-CB 4.47Å; Q311-C369 HydrophobicContact CG-CB 4.16Å; K365-C369 PolarHBondContact O-N 2.77Å; K365-C369 PolarHBondContact O-SG 2.82Å; K365-C369 VanDerWaalsContact O-SG 3.39Å; L366-C369 VanDerWaalsContact O-CB 3.23Å; L366-C369 WeakPolarHBondContact O-CB 3.47Å; L366-C369 PolarHBondContact O-N 2.88Å; C367-C369 PolarHBondContact O-N 3.44Å; C369-A373 VanDerWaalsContact O-CB 3.23Å; C369-A373 WeakPolarHBondContact O-CB 3.32Å; C369-A373 PolarHBondContact O-N 3.09Å
370	L	91.9	Very high	91.1	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-70.5	-41.6	173	-179.1	64.3	0	0	0	111.8	V314 A332 I336 C367 R368 A373 V374 F416 L419	V314-L370 HydrophobicContact CG1-CD1 4.38Å; A332-L370 HydrophobicContact CB-CD1 3.46Å; A332-L370 VanDerWaalsContact CB-CD1 3.46Å; I336-L370 HydrophobicContact CG1-CB 4.02Å; I336-L370 HydrophobicContact CG1-CD2 4.38Å; C367-L370 WeakPolarHBondContact O-CB 3.33Å; C367-L370 PolarHBondContact O-N 3.35Å; C367-L370 VanDerWaalsContact O-N 3.08Å; R368-L370 PolarHBondContact O-N 3.08Å; L370-A373 PolarHBondContact O-N 2.78Å; L370-V374 HydrophobicContact CD1-CG2 3.6Å; L370-V374 HydrophobicContact CG-CG2 4.18Å; L370-V374 WeakPolarHBondContact O-CB 3.34Å; L370-V374 WeakPolarHBondContact O-CG2 3.34Å; L370-V374 PolarHBondContact O-N 3.4Å; L370-F416 HydrophobicContact CD2-CE2 4.24Å; L370-L419 HydrophobicContact CB-CD2 4.18Å; L370-L419 HydrophobicContact CD2-CD2 3.93Å; L370-L419 HydrophobicContact CG-CD2 4.37Å
371	Y	93.8	Very high	91.4	Very high	14 Å²	14	49.3 Å²	49.3	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-55.3	-54.8	176.7	-169.4	-106.9	0	0	0	111.9	C367 R368 A373 V374 R375 L419 M422 L423 D426	C367-Y371 PolarHBondContact O-N 2.91Å; R368-Y371 WeakPolarHBondContact O-CB 3.23Å; R368-Y371 PolarHBondContact O-N 2.72Å; R368-Y371 VanDerWaalsContact O-N 3.13Å; Y371-A373 PolarHBondContact O-N 3.33Å; Y371-V374 PolarHBondContact O-N 3.02Å; Y371-R375 WeakPolarHBondContact O-CB 3.47Å; Y371-R375 PolarHBondContact O-N 3.04Å; Y371-R375 PolarHBondContact OH-NE 3.3Å; Y371-L419 HydrophobicContact CD2-CD1 3.72Å; Y371-L419 HydrophobicContact CG-CD1 3.95Å; Y371-M422 HydrophobicContact CD2-CE 4.32Å; Y371-M422 HydrophobicContact CE2-CB 3.91Å; Y371-M422 HydrophobicContact CE2-CE 4.46Å; Y371-L423 HydrophobicContact CD2-CD1 4.11Å; Y371-L423 HydrophobicContact CE2-CD1 4.28Å; Y371-D426 PolarHBondContact OH-OD2 3.39Å; Y371-D426 VanDerWaalsContact OH-OD2 3.11Å
372	D	94.2	Very high	91.6	Very high	85 Å²	85	46.5 Å²	46.5	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-67.9	-26.7	-173.7	-67.3	-28	0	0	0	111.3	R368 P376	R368-D372 WeakPolarHBondContact CG-OD2 3.29Å; R368-D372 IonicContact NE-OD1 3.91Å; R368-D372 IonicContact NE-OD2 2.68Å; R368-D372 PolarHBondContact O-N 3.1Å; D372-P376 WeakPolarHBondContact O-CD 3.47Å; D372-P376 WeakPolarHBondContact O-CG 3.4Å
373	A	91.4	Very high	91.8	Very high	21 Å²	21	51.8 Å²	51.8	17%	0.174	25%	0.25	C	S	.	.	H	α-helix	trans	-76.9	-43.9	174.7	0	0	0	0	0	113.6	V314 L318 C369 L370 Y371	V314-A373 HydrophobicContact CG1-CB 3.35Å; L318-A373 HydrophobicContact CD1-CB 3.76Å; C369-A373 VanDerWaalsContact O-CB 3.23Å; C369-A373 WeakPolarHBondContact O-CB 3.32Å; C369-A373 PolarHBondContact O-N 3.09Å; L370-A373 PolarHBondContact O-N 2.78Å; Y371-A373 PolarHBondContact O-N 3.33Å
374	V	91.6	Very high	91.7	Very high	11 Å²	11	52.2 Å²	52.2	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-85	-32.1	-174.2	177.1	0	0	0	0	111.9	L329 L370 Y371 L377 I378 L423	L329-V374 HydrophobicContact CD1-CG1 4.44Å; L370-V374 HydrophobicContact CD1-CG2 3.6Å; L370-V374 HydrophobicContact CG-CG2 4.18Å; L370-V374 WeakPolarHBondContact O-CB 3.34Å; L370-V374 WeakPolarHBondContact O-CG2 3.34Å; L370-V374 PolarHBondContact O-N 3.4Å; Y371-V374 PolarHBondContact O-N 3.02Å; V374-L377 WeakPolarHBondContact O-CA 3.39Å; V374-L377 VanDerWaalsContact O-CB 3.31Å; V374-L377 WeakPolarHBondContact O-CB 3.15Å; V374-L377 PolarHBondContact O-N 3.48Å; V374-I378 HydrophobicContact CG1-CD1 3.77Å; V374-I378 HydrophobicContact CG1-CG1 4.07Å; V374-I378 PolarHBondContact O-N 3.24Å; V374-I378 VanDerWaalsContact O-N 3.08Å; V374-L423 HydrophobicContact CB-CD1 4.46Å; V374-L423 HydrophobicContact CG1-CD1 4.18Å; V374-L423 HydrophobicContact CG1-CD2 4.14Å
375	R	93.7	Very high	91.8	Very high	103 Å²	103	52.7 Å²	52.7	39%	0.389	26%	0.256	S	S	.	.	H	α-helix	trans	-56.1	-45.5	-177.4	-175.7	-177	-158.4	-156.3	-2.5	113.9	Y371 L377 I378 I379 D426	Y371-R375 WeakPolarHBondContact O-CB 3.47Å; Y371-R375 PolarHBondContact O-N 3.04Å; Y371-R375 PolarHBondContact OH-NE 3.3Å; R375-L377 VanDerWaalsContact C-N 3.26Å; R375-L377 PolarHBondContact O-N 2.87Å; R375-I378 PolarHBondContact O-N 3.26Å; R375-I379 HydrophobicContact CG-CD1 4.27Å; R375-I379 WeakPolarHBondContact O-CG1 3.39Å; R375-I379 PolarHBondContact O-N 3.34Å; R375-D426 IonicContact CZ-OD2 2.87Å; R375-D426 IonicContact NE-OD2 3.22Å; R375-D426 PolarHBondContact NE-OD2 2.69Å; R375-D426 IonicContact NH2-OD2 3.65Å
376	P	92.2	Very high	91.9	Very high	65 Å²	65	50.3 Å²	50.3	42%	0.422	25%	0.247	S	C	.	.	H	α-helix	trans	-57.3	-38.9	174.2	-25.1	35.1	0	0	0	112.6	D372 I379 H380	D372-P376 WeakPolarHBondContact O-CD 3.47Å; D372-P376 WeakPolarHBondContact O-CG 3.4Å; P376-I379 PolarHBondContact O-N 2.89Å; P376-H380 PolarHBondContact O-CD2 3.42Å; P376-H380 PolarHBondContact O-N 2.96Å
377	L	90.7	Very high	92	Very high	51 Å²	51	50.3 Å²	50.3	27%	0.267	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-46.6	177.4	-60.4	179.2	0	0	0	111.3	L318 L328 V374 R375 I379 H380 I381	L318-L377 HydrophobicContact CD2-CD1 3.39Å; L318-L377 HydrophobicContact CD2-CG 4.26Å; L328-L377 HydrophobicContact CD2-CD1 3.37Å; V374-L377 WeakPolarHBondContact O-CA 3.39Å; V374-L377 VanDerWaalsContact O-CB 3.31Å; V374-L377 WeakPolarHBondContact O-CB 3.15Å; V374-L377 PolarHBondContact O-N 3.48Å; R375-L377 VanDerWaalsContact C-N 3.26Å; R375-L377 PolarHBondContact O-N 2.87Å; L377-I379 VanDerWaalsContact C-N 3.27Å; L377-I379 PolarHBondContact O-N 3.13Å; L377-H380 CarbonylContact O-C 3.55Å; L377-H380 WeakPolarHBondContact O-CA 3.44Å; L377-H380 PolarHBondContact O-N 2.83Å; L377-I381 WeakPolarHBondContact O-CG1 3.37Å; L377-I381 PolarHBondContact O-N 3.42Å
378	I	92.2	Very high	92	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-55.6	-43.9	179	-67	162.7	0	0	0	111.2	V374 R375 H380 I381 L423 I427 R430	V374-I378 HydrophobicContact CG1-CD1 3.77Å; V374-I378 HydrophobicContact CG1-CG1 4.07Å; V374-I378 PolarHBondContact O-N 3.24Å; V374-I378 VanDerWaalsContact O-N 3.08Å; R375-I378 PolarHBondContact O-N 3.26Å; I378-H380 PolarHBondContact O-N 3.36Å; I378-I381 PolarHBondContact O-N 3.35Å; I378-L423 HydrophobicContact CD1-CD1 3.23Å; I378-L423 HydrophobicContact CD1-CD2 4.44Å; I378-L423 HydrophobicContact CD1-CG 3.75Å; I378-I427 HydrophobicContact CB-CG1 4.48Å; I378-I427 HydrophobicContact CD1-CD1 3.82Å; I378-I427 HydrophobicContact CD1-CG1 3.48Å; I378-I427 VanDerWaalsContact CD1-CG1 3.48Å; I378-I427 HydrophobicContact CG1-CD1 4.21Å; I378-I427 HydrophobicContact CG1-CG1 3.82Å; I378-I427 HydrophobicContact CG2-CG1 3.81Å; I378-R430 HydrophobicContact CG2-CB 4.17Å; I378-R430 HydrophobicContact CG2-CG 4.27Å
379	I	91.2	Very high	92	Very high	90 Å²	90	48.8 Å²	48.8	46%	0.462	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-23.6	178.2	-62.7	166.7	0	0	0	112	R375 P376 L377 R430	R375-I379 HydrophobicContact CG-CD1 4.27Å; R375-I379 WeakPolarHBondContact O-CG1 3.39Å; R375-I379 PolarHBondContact O-N 3.34Å; P376-I379 PolarHBondContact O-N 2.89Å; L377-I379 VanDerWaalsContact C-N 3.27Å; L377-I379 PolarHBondContact O-N 3.13Å; I379-R430 PolarHBondContact O-NH1 3.32Å; I379-R430 PolarHBondContact O-NH2 3.22Å
380	H	91.8	Very high	92	Very high	141 Å²	141	48.5 Å²	48.5	65%	0.653	24%	0.242	S	C	*	.	H	α-helix	trans	-97.6	-16.9	179.4	-71.5	-60.6	0	0	0	114.6	P376 L377 I378 N382	P376-H380 PolarHBondContact O-CD2 3.42Å; P376-H380 PolarHBondContact O-N 2.96Å; L377-H380 CarbonylContact O-C 3.55Å; L377-H380 WeakPolarHBondContact O-CA 3.44Å; L377-H380 PolarHBondContact O-N 2.83Å; I378-H380 PolarHBondContact O-N 3.36Å; H380-N382 PolarHBondContact O-N 2.97Å; H380-N382 PolarHBondContact O-OD1 3.06Å
381	I	92.1	Very high	92	Very high	9 Å²	9	48.3 Å²	48.3	5%	0.046	24%	0.241	C	C	.	.			trans	-64.1	131.2	176.4	-64.6	165.4	0	0	0	110	H325 L377 I378 I386 L387 L390 R430	H325-I381 HydrophobicContact CB-CD1 4.32Å; L377-I381 WeakPolarHBondContact O-CG1 3.37Å; L377-I381 PolarHBondContact O-N 3.42Å; I378-I381 PolarHBondContact O-N 3.35Å; I381-I386 HydrophobicContact CD1-CG2 4.16Å; I381-I386 HydrophobicContact CG2-CB 4Å; I381-I386 HydrophobicContact CG2-CG2 4.05Å; I381-L387 HydrophobicContact CB-CD2 4.03Å; I381-L387 HydrophobicContact CB-CG 4.37Å; I381-L387 HydrophobicContact CD1-CD2 4.38Å; I381-L387 HydrophobicContact CG2-CD1 4.32Å; I381-L387 HydrophobicContact CG2-CD2 3.87Å; I381-L387 HydrophobicContact CG2-CG 3.7Å; I381-L390 HydrophobicContact CD1-CD1 3.59Å; I381-R430 PolarHBondContact O-NE 2.91Å; I381-R430 VanDerWaalsContact O-NE 3.09Å; I381-R430 PolarHBondContact O-NH2 3.26Å
382	N	90.7	Very high	91.8	Very high	90 Å²	90	48.4 Å²	48.4	48%	0.481	24%	0.243	S	C	.	.			trans	-107.7	-27.3	-178.4	-63.6	-35.2	0	0	0	113	H380 R434	H380-N382 PolarHBondContact O-N 2.97Å; H380-N382 PolarHBondContact O-OD1 3.06Å; N382-R434 PolarHBondContact OD1-NE 3.23Å; N382-R434 PolarHBondContact OD1-NH2 2.94Å
383	H	90.7	Very high	91.6	Very high	115 Å²	115	44.4 Å²	44.4	53%	0.532	22%	0.221	S	C	.	.			trans	-82	122.8	-174.2	-63.6	-72.8	0	0	0	110.5	E385 I386 L387	H383-E385 PolarHBondContact O-N 3.05Å; H383-I386 HydrophobicContact CB-CB 4.31Å; H383-I386 HydrophobicContact CB-CD1 3.88Å; H383-I386 HydrophobicContact CB-CG1 3.88Å; H383-I386 PolarHBondContact O-N 3.33Å; H383-L387 PolarHBondContact O-N 3.17Å
384	V	90.4	Very high	91.5	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-32.8	178.3	177	0	0	0	0	110.2	L387 S388 L431 R434 Y438	V384-L387 PolarHBondContact O-N 3.41Å; V384-S388 WeakPolarHBondContact O-CB 3.47Å; V384-S388 PolarHBondContact O-N 2.76Å; V384-S388 PolarHBondContact O-OG 3.1Å; V384-L431 HydrophobicContact CB-CD1 4.45Å; V384-L431 HydrophobicContact CG1-CD1 3.65Å; V384-R434 HydrophobicContact CG2-CB 4.05Å; V384-Y438 HydrophobicContact CG2-CG 4.38Å
385	E	90.5	Very high	91.2	Very high	78 Å²	78	45.5 Å²	45.5	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-64.4	-48.8	179.2	-58.4	77.2	-170.4	0	0	111.3	H383 L387 S388 E389	H383-E385 PolarHBondContact O-N 3.05Å; E385-L387 VanDerWaalsContact C-N 3.32Å; E385-L387 PolarHBondContact O-N 3.32Å; E385-S388 WeakPolarHBondContact CA-OG 3.44Å; E385-S388 PolarHBondContact O-N 3.11Å; E385-S388 PolarHBondContact O-OG 2.93Å; E385-E389 WeakPolarHBondContact O-CG 3.47Å; E385-E389 PolarHBondContact O-N 3.48Å
386	I	92.4	Very high	90.7	Very high	48 Å²	48	44.7 Å²	44.7	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-45.1	178.5	-59.2	177.1	0	0	0	109.6	H325 I381 H383 S388 E389 L390	H325-I386 HydrophobicContact CB-CG2 4.08Å; I381-I386 HydrophobicContact CD1-CG2 4.16Å; I381-I386 HydrophobicContact CG2-CB 4Å; I381-I386 HydrophobicContact CG2-CG2 4.05Å; H383-I386 HydrophobicContact CB-CB 4.31Å; H383-I386 HydrophobicContact CB-CD1 3.88Å; H383-I386 HydrophobicContact CB-CG1 3.88Å; H383-I386 PolarHBondContact O-N 3.33Å; I386-S388 VanDerWaalsContact C-N 3.32Å; I386-S388 PolarHBondContact O-N 2.82Å; I386-E389 PolarHBondContact O-N 2.95Å; I386-L390 HydrophobicContact CG2-CD1 4.08Å; I386-L390 HydrophobicContact CG2-CG 4.36Å; I386-L390 VanDerWaalsContact O-CG 3.25Å; I386-L390 WeakPolarHBondContact O-CG 3.18Å; I386-L390 PolarHBondContact O-N 3.47Å
387	L	94.1	Very high	90.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-39	177.8	-67.7	168.1	0	0	0	112.3	I381 H383 V384 E385 L390 C391 I427 R430 L431 R434	I381-L387 HydrophobicContact CB-CD2 4.03Å; I381-L387 HydrophobicContact CB-CG 4.37Å; I381-L387 HydrophobicContact CD1-CD2 4.38Å; I381-L387 HydrophobicContact CG2-CD1 4.32Å; I381-L387 HydrophobicContact CG2-CD2 3.87Å; I381-L387 HydrophobicContact CG2-CG 3.7Å; H383-L387 PolarHBondContact O-N 3.17Å; V384-L387 PolarHBondContact O-N 3.41Å; E385-L387 VanDerWaalsContact C-N 3.32Å; E385-L387 PolarHBondContact O-N 3.32Å; L387-L390 PolarHBondContact O-N 3.27Å; L387-C391 PolarHBondContact O-N 3.47Å; L387-C391 PolarHBondContact O-SG 3Å; L387-I427 HydrophobicContact CB-CG2 4.35Å; L387-I427 HydrophobicContact CD2-CG2 4.03Å; L387-R430 HydrophobicContact CD1-CG 3.87Å; L387-R430 HydrophobicContact CD2-CG 3.98Å; L387-L431 HydrophobicContact CB-CB 4.24Å; L387-L431 HydrophobicContact CB-CD1 3.71Å; L387-L431 HydrophobicContact CD1-CD1 4.49Å; L387-R434 HydrophobicContact CD1-CB 4.08Å; L387-R434 HydrophobicContact CD1-CG 3.97Å
388	S	91.7	Very high	89.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-42.5	176.1	58.6	0	0	0	0	112.7	V384 E385 I386 L390 C391 D392	V384-S388 WeakPolarHBondContact O-CB 3.47Å; V384-S388 PolarHBondContact O-N 2.76Å; V384-S388 PolarHBondContact O-OG 3.1Å; E385-S388 WeakPolarHBondContact CA-OG 3.44Å; E385-S388 PolarHBondContact O-N 3.11Å; E385-S388 PolarHBondContact O-OG 2.93Å; I386-S388 VanDerWaalsContact C-N 3.32Å; I386-S388 PolarHBondContact O-N 2.82Å; S388-L390 VanDerWaalsContact C-N 3.32Å; S388-L390 PolarHBondContact O-N 2.89Å; S388-C391 WeakPolarHBondContact O-CB 3.35Å; S388-C391 PolarHBondContact O-N 2.91Å; S388-D392 VanDerWaalsContact O-CG 3.25Å; S388-D392 PolarHBondContact O-N 2.58Å
389	E	92.1	Very high	88.7	Confident	76 Å²	76	45.8 Å²	45.8	36%	0.355	22%	0.224	S	C	.	.	H	α-helix	trans	-65.8	-37.3	176.7	-63	-60.5	144.2	0	0	111.1	E385 I386 D392 I393 K543	E385-E389 WeakPolarHBondContact O-CG 3.47Å; E385-E389 PolarHBondContact O-N 3.48Å; I386-E389 PolarHBondContact O-N 2.95Å; E389-D392 PolarHBondContact O-N 3.49Å; E389-I393 VanDerWaalsContact O-CG1 3.23Å; E389-I393 WeakPolarHBondContact O-CG1 3.43Å; E389-I393 PolarHBondContact O-N 2.68Å; E389-K543 IonicContact OE1-NZ 2.65Å
390	L	93.2	Very high	87.5	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-38.3	175.2	-66.7	172.6	0	0	0	112.4	H325 L329 I381 I386 L387 S388 D392 I393 L394 I427	H325-L390 HydrophobicContact CB-CD1 4.46Å; H325-L390 HydrophobicContact CB-CD2 4.4Å; L329-L390 HydrophobicContact CB-CD2 4.11Å; L329-L390 HydrophobicContact CD2-CD2 3.75Å; I381-L390 HydrophobicContact CD1-CD1 3.59Å; I386-L390 HydrophobicContact CG2-CD1 4.08Å; I386-L390 HydrophobicContact CG2-CG 4.36Å; I386-L390 VanDerWaalsContact O-CG 3.25Å; I386-L390 WeakPolarHBondContact O-CG 3.18Å; I386-L390 PolarHBondContact O-N 3.47Å; L387-L390 PolarHBondContact O-N 3.27Å; S388-L390 VanDerWaalsContact C-N 3.32Å; S388-L390 PolarHBondContact O-N 2.89Å; L390-D392 VanDerWaalsContact C-N 3.33Å; L390-I393 PolarHBondContact O-N 2.99Å; L390-L394 WeakPolarHBondContact O-CG 3.25Å; L390-L394 PolarHBondContact O-N 2.73Å; L390-I427 HydrophobicContact CB-CD1 3.87Å; L390-I427 HydrophobicContact CB-CG2 4.45Å; L390-I427 HydrophobicContact CD1-CD1 4.45Å
391	C	91.9	Very high	85.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-45.2	171.4	-77.8	0	0	0	0	111.4	L387 S388 L394 K395 L424 I427 C547	L387-C391 PolarHBondContact O-N 3.47Å; L387-C391 PolarHBondContact O-SG 3Å; S388-C391 WeakPolarHBondContact O-CB 3.35Å; S388-C391 PolarHBondContact O-N 2.91Å; C391-L394 PolarHBondContact O-N 2.7Å; C391-K395 WeakPolarHBondContact O-CB 3.35Å; C391-K395 WeakPolarHBondContact O-CG 3.46Å; C391-K395 PolarHBondContact O-N 2.95Å; C391-L424 HydrophobicContact CB-CD1 4.19Å; C391-I427 WeakPolarHBondContact SG-CG2 3.25Å; C391-C547 HydrophobicContact CB-CB 3.96Å
392	D	89.4	Confident	83.7	Confident	15 Å²	15	47 Å²	47	8%	0.08	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-44	179.7	-64.8	-30.6	0	0	0	110.9	S388 E389 L390 L394 K395 D396 R546	S388-D392 VanDerWaalsContact O-CG 3.25Å; S388-D392 PolarHBondContact O-N 2.58Å; E389-D392 PolarHBondContact O-N 3.49Å; L390-D392 VanDerWaalsContact C-N 3.33Å; D392-L394 VanDerWaalsContact C-N 3.34Å; D392-L394 PolarHBondContact O-N 2.87Å; D392-K395 PolarHBondContact O-N 2.72Å; D392-D396 WeakPolarHBondContact O-CB 3.23Å; D392-D396 PolarHBondContact O-N 3.35Å; D392-R546 IonicContact OD1-CZ 3.38Å; D392-R546 IonicContact OD1-NH1 3.68Å; D392-R546 PolarHBondContact OD1-NH1 3.46Å; D392-R546 IonicContact OD1-NH2 3.64Å; D392-R546 IonicContact OD2-CZ 3.36Å; D392-R546 IonicContact OD2-NH1 3Å; D392-R546 PolarHBondContact OD2-NH1 3.01Å; D392-R546 IonicContact OD2-NH2 3.21Å; D392-R546 PolarHBondContact OD2-NH2 3.29Å
393	I	89.3	Confident	81.4	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.238	C	C	.	.	I	π-helix	trans	-58.7	-45	175.2	-68.4	163.8	0	0	0	111.1	C326 L329 R330 E389 L390 E397 L398	C326-I393 HydrophobicContact CB-CD1 3.64Å; L329-I393 HydrophobicContact CD2-CG2 4.19Å; L329-I393 HydrophobicContact CG-CG2 4.47Å; R330-I393 HydrophobicContact CG-CD1 4.38Å; R330-I393 HydrophobicContact CG-CG2 3.77Å; R330-I393 VanDerWaalsContact CZ-CD1 3.45Å; R330-I393 VanDerWaalsContact NH2-CG1 3.33Å; E389-I393 VanDerWaalsContact O-CG1 3.23Å; E389-I393 WeakPolarHBondContact O-CG1 3.43Å; E389-I393 PolarHBondContact O-N 2.68Å; L390-I393 PolarHBondContact O-N 2.99Å; I393-E397 WeakPolarHBondContact O-CA 3.42Å; I393-E397 WeakPolarHBondContact O-CB 3.12Å; I393-E397 PolarHBondContact O-N 3.46Å; I393-L398 HydrophobicContact CG2-CD1 4.09Å; I393-L398 HydrophobicContact CG2-CG 4.36Å; I393-L398 PolarHBondContact O-N 3.29Å
394	L	89.9	Confident	79.1	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.252	C	S	.	.	I	π-helix	trans	-65.3	-45.6	179.4	-76.6	168.9	0	0	0	112	L329 L390 C391 D392 L398 L399 C420 L423 L424 I427	L329-L394 HydrophobicContact CD2-CD1 4.44Å; L329-L394 HydrophobicContact CD2-CD2 4.16Å; L329-L394 HydrophobicContact CD2-CG 3.96Å; L390-L394 WeakPolarHBondContact O-CG 3.25Å; L390-L394 PolarHBondContact O-N 2.73Å; C391-L394 PolarHBondContact O-N 2.7Å; D392-L394 VanDerWaalsContact C-N 3.34Å; D392-L394 PolarHBondContact O-N 2.87Å; L394-L398 HydrophobicContact CD2-CD1 3.66Å; L394-L398 HydrophobicContact CG-CD1 4.5Å; L394-L399 VanDerWaalsContact O-CB 3.26Å; L394-L399 WeakPolarHBondContact O-CB 3.42Å; L394-L399 WeakPolarHBondContact O-CD1 3.37Å; L394-L399 VanDerWaalsContact O-CG 3.28Å; L394-L399 WeakPolarHBondContact O-CG 3.25Å; L394-L399 PolarHBondContact O-N 3.36Å; L394-C420 HydrophobicContact CD2-CB 4.16Å; L394-L423 HydrophobicContact CD1-CB 4.18Å; L394-L423 HydrophobicContact CD1-CD2 4.04Å; L394-L423 HydrophobicContact CD1-CG 4.13Å; L394-L423 HydrophobicContact CD2-CD2 4.04Å; L394-L424 HydrophobicContact CB-CD1 4.27Å; L394-L424 HydrophobicContact CD1-CB 4.16Å; L394-L424 HydrophobicContact CD1-CD1 4.39Å; L394-I427 HydrophobicContact CD1-CD1 3.55Å
395	K	85.1	Confident	76.7	Confident	55 Å²	55	56.9 Å²	56.9	24%	0.239	29%	0.291	C	S	.	.	I	π-helix	trans	-71.6	-50.5	-178	-72.2	-174.8	-177.1	-174.4	0	112.8	C391 D392 L424 R546 C547	C391-K395 WeakPolarHBondContact O-CB 3.35Å; C391-K395 WeakPolarHBondContact O-CG 3.46Å; C391-K395 PolarHBondContact O-N 2.95Å; D392-K395 PolarHBondContact O-N 2.72Å; K395-L424 HydrophobicContact CG-CD1 4.08Å; K395-L424 HydrophobicContact CG-CD2 3.85Å; K395-R546 PolarHBondContact NZ-O 2.93Å; K395-C547 WeakPolarHBondContact CE-O 3.34Å; K395-C547 VanDerWaalsContact NZ-C 3.34Å; K395-C547 PolarHBondContact NZ-O 3.31Å
396	D	82.2	Confident	74.5	Confident	85 Å²	85	58.8 Å²	58.8	46%	0.455	30%	0.298	S	S	.	.	I	π-helix	trans	-92.3	-32.7	-167.5	-66.1	-24.8	0	0	0	112.9	D392 Q400	D392-D396 WeakPolarHBondContact O-CB 3.23Å; D392-D396 PolarHBondContact O-N 3.35Å; D396-Q400 WeakPolarHBondContact O-CB 3.23Å; D396-Q400 PolarHBondContact O-OE1 3.42Å; D396-Q400 PolarHBondContact OD1-NE2 3.04Å
397	E	82.4	Confident	71.8	Confident	85 Å²	85	61.6 Å²	61.6	40%	0.397	32%	0.318	S	S	.	.	I	π-helix	trans	-100.1	-46.6	-176.3	-59.5	179.2	-149.5	0	0	112.5	R330 I393	R330-E397 WeakPolarHBondContact CD-OE2 3.39Å; R330-E397 IonicContact CZ-OE1 2.75Å; R330-E397 IonicContact CZ-OE2 3.6Å; R330-E397 VanDerWaalsContact NE-CD 3.34Å; R330-E397 IonicContact NE-OE1 3.89Å; R330-E397 PolarHBondContact NE-OE1 3.23Å; R330-E397 VanDerWaalsContact NE-OE1 3.1Å; R330-E397 IonicContact NE-OE2 3.69Å; R330-E397 PolarHBondContact NE-OE2 2.92Å; R330-E397 IonicContact NH2-OE1 3.76Å; R330-E397 PolarHBondContact NH2-OE1 3.32Å; R330-E397 IonicContact NH2-OE2 2.68Å; I393-E397 WeakPolarHBondContact O-CA 3.42Å; I393-E397 WeakPolarHBondContact O-CB 3.12Å; I393-E397 PolarHBondContact O-N 3.46Å
398	L	77.5	Confident	69.4	Low	16 Å²	16	68.8 Å²	68.8	8%	0.084	36%	0.361	C	S	.	.	I	π-helix	trans	-88.3	-42.7	-172.3	-66.6	172.5	0	0	0	113.2	L329 I393 L394 H401 F416	L329-L398 HydrophobicContact CD1-CD1 4.47Å; L329-L398 HydrophobicContact CD2-CD1 4.49Å; L329-L398 HydrophobicContact CG-CD1 4.14Å; I393-L398 HydrophobicContact CG2-CD1 4.09Å; I393-L398 HydrophobicContact CG2-CG 4.36Å; I393-L398 PolarHBondContact O-N 3.29Å; L394-L398 HydrophobicContact CD2-CD1 3.66Å; L394-L398 HydrophobicContact CG-CD1 4.5Å; L398-H401 WeakPolarHBondContact O-CB 3.32Å; L398-F416 HydrophobicContact CB-CE1 4.24Å; L398-F416 HydrophobicContact CD2-CE1 4.25Å; L398-F416 HydrophobicContact CD2-CZ 4.07Å
399	L	75.1	Confident	67	Low	43 Å²	43	75.8 Å²	75.8	23%	0.225	40%	0.399	C	S	.	.	I	π-helix	trans	-76.2	-40.1	178.3	-79.7	160.8	0	0	0	112.6	L394 H401 D402 T417 C420 L424	L394-L399 VanDerWaalsContact O-CB 3.26Å; L394-L399 WeakPolarHBondContact O-CB 3.42Å; L394-L399 WeakPolarHBondContact O-CD1 3.37Å; L394-L399 VanDerWaalsContact O-CG 3.28Å; L394-L399 WeakPolarHBondContact O-CG 3.25Å; L394-L399 PolarHBondContact O-N 3.36Å; L399-H401 PolarHBondContact O-N 3.2Å; L399-H401 VanDerWaalsContact O-N 3.09Å; L399-D402 PolarHBondContact O-N 3.03Å; L399-D402 VanDerWaalsContact O-N 3.15Å; L399-T417 HydrophobicContact CD2-CG2 3.65Å; L399-C420 HydrophobicContact CD1-CB 4.39Å; L399-C420 HydrophobicContact CD2-CB 3.88Å; L399-C420 HydrophobicContact CG-CB 3.89Å; L399-L424 HydrophobicContact CD1-CD2 4.23Å
400	Q	65.9	Low	64.9	Low	107 Å²	107	75 Å²	75	50%	0.5	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-66.5	-10.7	176.3	-70.3	-176	22.6	0	0	113.6	D396 D402 D403	D396-Q400 WeakPolarHBondContact O-CB 3.23Å; D396-Q400 PolarHBondContact O-OE1 3.42Å; D396-Q400 PolarHBondContact OD1-NE2 3.04Å; Q400-D402 PolarHBondContact O-N 2.88Å; Q400-D402 VanDerWaalsContact O-N 3.1Å; Q400-D403 PolarHBondContact O-N 2.9Å
401	H	54.1	Low	63.1	Low	89 Å²	89	76.8 Å²	76.8	41%	0.412	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-60.9	-17.2	172.6	-145.8	-86.9	0	0	0	112.2	L398 L399 K406	L398-H401 WeakPolarHBondContact O-CB 3.32Å; L399-H401 PolarHBondContact O-N 3.2Å; L399-H401 VanDerWaalsContact O-N 3.09Å; H401-K406 PolarHBondContact CE1-NZ 3.47Å; H401-K406 PolarHBondContact NE2-NZ 3.32Å
402	D	49.6	Very low	61.6	Low	68 Å²	68	82.5 Å²	82.5	36%	0.364	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-88.5	-20.8	172.1	-75.5	-31.4	0	0	0	114.6	L399 Q400 A404 T417	L399-D402 PolarHBondContact O-N 3.03Å; L399-D402 VanDerWaalsContact O-N 3.15Å; Q400-D402 PolarHBondContact O-N 2.88Å; Q400-D402 VanDerWaalsContact O-N 3.1Å; D402-A404 PolarHBondContact O-N 3.47Å; D402-T417 PolarHBondContact OD2-OG1 3.27Å
403	D	42	Very low	60.8	Low	124 Å²	124	82.4 Å²	82.4	66%	0.663	44%	0.444	S	S	*	.	S	Bend	trans	-83.2	94.5	-170.3	-82.7	-33.7	0	0	0	113.7	Q400 K405	Q400-D403 PolarHBondContact O-N 2.9Å; D403-K405 PolarHBondContact O-N 3.03Å
404	A	42.8	Very low	60.4	Low	99 Å²	99	86.9 Å²	86.9	82%	0.818	47%	0.467	S	S	*	.	S	Bend	trans	68.6	-5.6	139.6	0	0	0	0	0	121.4	D402	D402-A404 PolarHBondContact O-N 3.47Å
405	K	40.5	Very low	60	Low	199 Å²	199	87 Å²	87	87%	0.865	47%	0.468	S	S	*	.			trans	-116.2	-13.2	178.4	-74.3	-178.3	-177	171.1	0	116.5	D403 T407	D403-K405 PolarHBondContact O-N 3.03Å; K405-T407 PolarHBondContact O-N 3.45Å
406	K	42.4	Very low	60.1	Low	119 Å²	119	84.9 Å²	84.9	52%	0.517	46%	0.459	S	S	.	.	S	Bend	trans	-85.5	103.2	168.6	-70.9	-179.5	-178.2	179.1	0	107	H401 S410	H401-K406 PolarHBondContact CE1-NZ 3.47Å; H401-K406 PolarHBondContact NE2-NZ 3.32Å; K406-S410 PolarHBondContact O-OG 2.93Å
407	T	36.3	Very low	60.3	Low	107 Å²	107	82.5 Å²	82.5	66%	0.656	45%	0.448	S	S	*	.			trans	15.8	131.8	155.3	49.6	0	0	0	0	116.8	K405 N409 S410	K405-T407 PolarHBondContact O-N 3.45Å; T407-N409 PolarHBondContact O-N 3.31Å; T407-S410 PolarHBondContact O-N 3.11Å
408	T	43.8	Very low	60.5	Low	150 Å²	150	82.9 Å²	82.9	92%	0.92	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-37.9	0.8	173	-39.4	0	0	0	0	118.4
409	N	41.9	Very low	61	Low	147 Å²	147	82.3 Å²	82.3	79%	0.786	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	1.1	-178.4	-64.9	-14.5	0	0	0	114.8	T407	T407-N409 PolarHBondContact O-N 3.31Å
410	S	47.8	Very low	61.7	Low	59 Å²	59	80.4 Å²	80.4	41%	0.413	44%	0.44	S	S	.	.	S	Bend	trans	-72.5	122.7	171.3	50.6	0	0	0	0	108.8	K406 T407 D412	K406-S410 PolarHBondContact O-OG 2.93Å; T407-S410 PolarHBondContact O-N 3.11Å; S410-D412 PolarHBondContact O-N 3.31Å
411	P	54.6	Low	62.8	Low	43 Å²	43	77 Å²	77	28%	0.279	43%	0.433	S	S	.	.			trans	-64.1	131.8	178.4	27.3	-32.5	0	0	0	109	M344 I413	M344-P411 HydrophobicContact CB-CG 4.42Å; M344-P411 HydrophobicContact CE-CB 4.19Å; M344-P411 HydrophobicContact CG-CB 3.7Å; M344-P411 HydrophobicContact CG-CG 3.99Å; P411-I413 HydrophobicContact CG-CG1 4.43Å; P411-I413 VanDerWaalsContact O-CG1 3.25Å; P411-I413 WeakPolarHBondContact O-CG1 3.2Å; P411-I413 PolarHBondContact O-N 3.28Å
412	D	61.1	Low	64.7	Low	120 Å²	120	75.6 Å²	75.6	64%	0.642	43%	0.428	S	S	*	.			trans	-59.9	99.5	172.5	-64.4	-26.9	0	0	0	108.1	S410 L414	S410-D412 PolarHBondContact O-N 3.31Å; D412-L414 HydrophobicContact CB-CG 4.13Å; D412-L414 PolarHBondContact O-N 2.81Å
413	I	72.2	Confident	66.7	Low	14 Å²	14	72.5 Å²	72.5	7%	0.072	41%	0.411	C	S	.	.			trans	-82.1	58.8	179.4	-43.6	-176	0	0	0	108.4	V337 C340 E341 P411 A415 F416 T417	V337-I413 HydrophobicContact CG1-CD1 4.14Å; C340-I413 HydrophobicContact CB-CD1 4.43Å; C340-I413 HydrophobicContact CB-CG2 4.12Å; E341-I413 HydrophobicContact CG-CD1 3.95Å; P411-I413 HydrophobicContact CG-CG1 4.43Å; P411-I413 VanDerWaalsContact O-CG1 3.25Å; P411-I413 WeakPolarHBondContact O-CG1 3.2Å; P411-I413 PolarHBondContact O-N 3.28Å; I413-A415 PolarHBondContact O-N 3.34Å; I413-F416 HydrophobicContact CB-CB 4.16Å; I413-F416 HydrophobicContact CG2-CB 3.46Å; I413-F416 VanDerWaalsContact CG2-CB 3.46Å; I413-F416 WeakPolarHBondContact O-CA 3.36Å; I413-F416 WeakPolarHBondContact O-CB 3.21Å; I413-F416 PolarHBondContact O-N 2.95Å; I413-T417 PolarHBondContact O-N 3.25Å; I413-T417 VanDerWaalsContact O-N 3.11Å; I413-T417 PolarHBondContact O-OG1 2.84Å; I413-T417 VanDerWaalsContact O-OG1 3.09Å
414	L	80.1	Confident	69.2	Low	94 Å²	94	67.5 Å²	67.5	49%	0.492	38%	0.384	S	S	.	.	H	α-helix	trans	-49.9	-37.9	-179.7	-66.9	172.1	0	0	0	111.8	D412 F416 T417 D418	D412-L414 HydrophobicContact CB-CG 4.13Å; D412-L414 PolarHBondContact O-N 2.81Å; L414-F416 VanDerWaalsContact C-N 3.29Å; L414-F416 PolarHBondContact O-N 3.27Å; L414-T417 PolarHBondContact O-N 2.82Å; L414-D418 WeakPolarHBondContact O-CB 3.27Å; L414-D418 PolarHBondContact O-N 3.12Å
415	A	83	Confident	71.5	Confident	4 Å²	4	65.2 Å²	65.2	3%	0.033	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-32.7	177.8	0	0	0	0	0	113.8	L363 F364 I413 L419	L363-A415 HydrophobicContact CB-CB 3.94Å; F364-A415 HydrophobicContact CB-CB 4.16Å; F364-A415 HydrophobicContact CD2-CB 4.45Å; I413-A415 PolarHBondContact O-N 3.34Å; A415-L419 PolarHBondContact O-N 3.18Å
416	F	85.8	Confident	74	Confident	10 Å²	10	57.4 Å²	57.4	4%	0.044	33%	0.333	C	S	.	.	H	α-helix	trans	-82.6	-36.2	176.6	-173.9	-99.6	0	0	0	111.4	I336 V337 L370 L398 I413 L414 L419 C420	I336-F416 HydrophobicContact CG2-CD2 4.13Å; I336-F416 HydrophobicContact CG2-CE2 4.32Å; V337-F416 HydrophobicContact CG2-CD1 3.71Å; V337-F416 HydrophobicContact CG2-CD2 3.9Å; V337-F416 HydrophobicContact CG2-CE1 3.5Å; V337-F416 VanDerWaalsContact CG2-CE1 3.5Å; V337-F416 HydrophobicContact CG2-CE2 3.7Å; V337-F416 HydrophobicContact CG2-CG 3.91Å; V337-F416 HydrophobicContact CG2-CZ 3.5Å; L370-F416 HydrophobicContact CD2-CE2 4.24Å; L398-F416 HydrophobicContact CB-CE1 4.24Å; L398-F416 HydrophobicContact CD2-CE1 4.25Å; L398-F416 HydrophobicContact CD2-CZ 4.07Å; I413-F416 HydrophobicContact CB-CB 4.16Å; I413-F416 HydrophobicContact CG2-CB 3.46Å; I413-F416 VanDerWaalsContact CG2-CB 3.46Å; I413-F416 WeakPolarHBondContact O-CA 3.36Å; I413-F416 WeakPolarHBondContact O-CB 3.21Å; I413-F416 PolarHBondContact O-N 2.95Å; L414-F416 VanDerWaalsContact C-N 3.29Å; L414-F416 PolarHBondContact O-N 3.27Å; F416-L419 HydrophobicContact CD2-CD2 4.01Å; F416-L419 HydrophobicContact CE2-CD2 4.07Å; F416-L419 WeakPolarHBondContact O-CB 3.11Å; F416-L419 PolarHBondContact O-N 3.07Å; F416-C420 WeakPolarHBondContact CE1-SG 3.26Å; F416-C420 PolarHBondContact O-N 2.98Å; F416-C420 PolarHBondContact O-SG 3.07Å
417	T	86.4	Confident	76.5	Confident	36 Å²	36	51.7 Å²	51.7	22%	0.221	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-47.2	171.7	-33.9	0	0	0	0	110.9	L399 D402 I413 L414 L419 C420 G421	L399-T417 HydrophobicContact CD2-CG2 3.65Å; D402-T417 PolarHBondContact OD2-OG1 3.27Å; I413-T417 PolarHBondContact O-N 3.25Å; I413-T417 VanDerWaalsContact O-N 3.11Å; I413-T417 PolarHBondContact O-OG1 2.84Å; I413-T417 VanDerWaalsContact O-OG1 3.09Å; L414-T417 PolarHBondContact O-N 2.82Å; T417-L419 VanDerWaalsContact C-N 3.33Å; T417-L419 PolarHBondContact O-N 2.73Å; T417-C420 PolarHBondContact O-N 2.8Å; T417-G421 PolarHBondContact O-N 3.36Å
418	D	87	Confident	79.3	Confident	93 Å²	93	48.5 Å²	48.5	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-42.5	177	-72.3	-18.7	0	0	0	111.3	F364 L414 G421 M422	F364-D418 HydrophobicContact CE2-CB 4.29Å; L414-D418 WeakPolarHBondContact O-CB 3.27Å; L414-D418 PolarHBondContact O-N 3.12Å; D418-G421 PolarHBondContact O-N 3.03Å; D418-M422 WeakPolarHBondContact O-CG 3.5Å; D418-M422 PolarHBondContact O-N 3.2Å
419	L	88.6	Confident	81.6	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-57.3	-50.7	172.8	170.9	72.3	0	0	0	111.6	C367 L370 Y371 A415 F416 T417 G421 M422 L423	C367-L419 HydrophobicContact CB-CB 4.12Å; C367-L419 HydrophobicContact CB-CD2 3.86Å; C367-L419 HydrophobicContact CB-CG 4.44Å; C367-L419 WeakPolarHBondContact O-CD2 3.36Å; L370-L419 HydrophobicContact CB-CD2 4.18Å; L370-L419 HydrophobicContact CD2-CD2 3.93Å; L370-L419 HydrophobicContact CG-CD2 4.37Å; Y371-L419 HydrophobicContact CD2-CD1 3.72Å; Y371-L419 HydrophobicContact CG-CD1 3.95Å; A415-L419 PolarHBondContact O-N 3.18Å; F416-L419 HydrophobicContact CD2-CD2 4.01Å; F416-L419 HydrophobicContact CE2-CD2 4.07Å; F416-L419 WeakPolarHBondContact O-CB 3.11Å; F416-L419 PolarHBondContact O-N 3.07Å; T417-L419 VanDerWaalsContact C-N 3.33Å; T417-L419 PolarHBondContact O-N 2.73Å; L419-G421 VanDerWaalsContact C-N 3.27Å; L419-G421 PolarHBondContact O-N 2.94Å; L419-M422 HydrophobicContact CD1-CE 4.27Å; L419-M422 PolarHBondContact O-N 2.98Å; L419-L423 WeakPolarHBondContact O-CB 3.31Å; L419-L423 PolarHBondContact O-N 3.29Å
420	C	89.4	Confident	84.1	Confident	3 Å²	3	43 Å²	43	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-38.9	-179.3	-69.1	0	0	0	0	111	L394 L399 F416 T417 L423 L424	L394-C420 HydrophobicContact CD2-CB 4.16Å; L399-C420 HydrophobicContact CD1-CB 4.39Å; L399-C420 HydrophobicContact CD2-CB 3.88Å; L399-C420 HydrophobicContact CG-CB 3.89Å; F416-C420 WeakPolarHBondContact CE1-SG 3.26Å; F416-C420 PolarHBondContact O-N 2.98Å; F416-C420 PolarHBondContact O-SG 3.07Å; T417-C420 PolarHBondContact O-N 2.8Å; C420-L423 PolarHBondContact O-N 2.7Å; C420-L424 WeakPolarHBondContact O-CB 3.25Å; C420-L424 PolarHBondContact O-N 3.27Å
421	G	90.2	Very high	86.4	Confident	36 Å²	36	40.1 Å²	40.1	37%	0.371	22%	0.223	S	C	.	.	H	α-helix	trans	-61.2	-46.5	174.1	0	0	0	0	0	112.9	T417 D418 L419 L424 A425	T417-G421 PolarHBondContact O-N 3.36Å; D418-G421 PolarHBondContact O-N 3.03Å; L419-G421 VanDerWaalsContact C-N 3.27Å; L419-G421 PolarHBondContact O-N 2.94Å; G421-L424 PolarHBondContact O-N 3.26Å; G421-A425 PolarHBondContact O-N 3.29Å
422	M	92.7	Very high	88.2	Confident	59 Å²	59	40.8 Å²	40.8	29%	0.291	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-45.2	175.5	-68.6	-172.7	-56.6	0	0	111.8	F364 Y371 D418 L419 L424 A425 D426	F364-M422 HydrophobicContact CE2-CE 4.29Å; F364-M422 HydrophobicContact CZ-CE 4.05Å; Y371-M422 HydrophobicContact CD2-CE 4.32Å; Y371-M422 HydrophobicContact CE2-CB 3.91Å; Y371-M422 HydrophobicContact CE2-CE 4.46Å; D418-M422 WeakPolarHBondContact O-CG 3.5Å; D418-M422 PolarHBondContact O-N 3.2Å; L419-M422 HydrophobicContact CD1-CE 4.27Å; L419-M422 PolarHBondContact O-N 2.98Å; M422-L424 VanDerWaalsContact C-N 3.35Å; M422-A425 PolarHBondContact O-N 2.81Å; M422-D426 PolarHBondContact O-N 3Å; M422-D426 VanDerWaalsContact O-N 3.12Å
423	L	93	Very high	89.8	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-40.5	-179.6	-161.9	70.2	0	0	0	111.3	L329 Y371 V374 I378 L394 L419 C420 A425 D426 I427	L329-L423 HydrophobicContact CD1-CD2 3.82Å; Y371-L423 HydrophobicContact CD2-CD1 4.11Å; Y371-L423 HydrophobicContact CE2-CD1 4.28Å; V374-L423 HydrophobicContact CB-CD1 4.46Å; V374-L423 HydrophobicContact CG1-CD1 4.18Å; V374-L423 HydrophobicContact CG1-CD2 4.14Å; I378-L423 HydrophobicContact CD1-CD1 3.23Å; I378-L423 HydrophobicContact CD1-CD2 4.44Å; I378-L423 HydrophobicContact CD1-CG 3.75Å; L394-L423 HydrophobicContact CD1-CB 4.18Å; L394-L423 HydrophobicContact CD1-CD2 4.04Å; L394-L423 HydrophobicContact CD1-CG 4.13Å; L394-L423 HydrophobicContact CD2-CD2 4.04Å; L419-L423 WeakPolarHBondContact O-CB 3.31Å; L419-L423 PolarHBondContact O-N 3.29Å; C420-L423 PolarHBondContact O-N 2.7Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.06Å; L423-D426 PolarHBondContact O-N 3.29Å; L423-I427 HydrophobicContact CG-CD1 4.25Å; L423-I427 VanDerWaalsContact O-CG1 3.25Å; L423-I427 WeakPolarHBondContact O-CG1 3.49Å; L423-I427 PolarHBondContact O-N 3.09Å
424	L	92.7	Very high	90.8	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-43.4	176.8	-179.1	64.3	0	0	0	110.9	C391 L394 K395 L399 C420 G421 M422 I427 Q428	C391-L424 HydrophobicContact CB-CD1 4.19Å; L394-L424 HydrophobicContact CB-CD1 4.27Å; L394-L424 HydrophobicContact CD1-CB 4.16Å; L394-L424 HydrophobicContact CD1-CD1 4.39Å; K395-L424 HydrophobicContact CG-CD1 4.08Å; K395-L424 HydrophobicContact CG-CD2 3.85Å; L399-L424 HydrophobicContact CD1-CD2 4.23Å; C420-L424 WeakPolarHBondContact O-CB 3.25Å; C420-L424 PolarHBondContact O-N 3.27Å; G421-L424 PolarHBondContact O-N 3.26Å; M422-L424 VanDerWaalsContact C-N 3.35Å; L424-I427 PolarHBondContact O-N 3.21Å; L424-Q428 HydrophobicContact CD1-CG 4.28Å; L424-Q428 HydrophobicContact CG-CG 4.4Å; L424-Q428 WeakPolarHBondContact O-CB 3.43Å; L424-Q428 WeakPolarHBondContact O-CG 3.4Å; L424-Q428 PolarHBondContact O-N 3Å
425	A	92.7	Very high	91.5	Very high	50 Å²	50	37.8 Å²	37.8	41%	0.413	20%	0.2	S	C	.	.	H	α-helix	trans	-60.8	-47	176	0	0	0	0	0	112	G421 M422 L423 I427 Q428 E429	G421-A425 PolarHBondContact O-N 3.29Å; M422-A425 PolarHBondContact O-N 2.81Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.06Å; A425-I427 VanDerWaalsContact C-N 3.34Å; A425-I427 PolarHBondContact O-N 3.44Å; A425-Q428 PolarHBondContact O-N 3.4Å; A425-E429 PolarHBondContact O-N 3.01Å
426	D	93.3	Very high	91.9	Very high	35 Å²	35	41.6 Å²	41.6	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-40.8	177.1	-87.7	16.6	0	0	0	111.6	Y371 R375 M422 L423 R430	Y371-D426 PolarHBondContact OH-OD2 3.39Å; Y371-D426 VanDerWaalsContact OH-OD2 3.11Å; R375-D426 IonicContact CZ-OD2 2.87Å; R375-D426 IonicContact NE-OD2 3.22Å; R375-D426 PolarHBondContact NE-OD2 2.69Å; R375-D426 IonicContact NH2-OD2 3.65Å; M422-D426 PolarHBondContact O-N 3Å; M422-D426 VanDerWaalsContact O-N 3.12Å; L423-D426 PolarHBondContact O-N 3.29Å; D426-R430 VanDerWaalsContact O-CB 3.29Å; D426-R430 WeakPolarHBondContact O-CB 3.07Å; D426-R430 PolarHBondContact O-N 3.29Å; D426-R430 VanDerWaalsContact O-N 3.07Å
427	I	94.5	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-40.8	176.8	-64.8	176.5	0	0	0	111	I378 L387 L390 C391 L394 L423 L424 A425 R430 L431	I378-I427 HydrophobicContact CB-CG1 4.48Å; I378-I427 HydrophobicContact CD1-CD1 3.82Å; I378-I427 HydrophobicContact CD1-CG1 3.48Å; I378-I427 VanDerWaalsContact CD1-CG1 3.48Å; I378-I427 HydrophobicContact CG1-CD1 4.21Å; I378-I427 HydrophobicContact CG1-CG1 3.82Å; I378-I427 HydrophobicContact CG2-CG1 3.81Å; L387-I427 HydrophobicContact CB-CG2 4.35Å; L387-I427 HydrophobicContact CD2-CG2 4.03Å; L390-I427 HydrophobicContact CB-CD1 3.87Å; L390-I427 HydrophobicContact CB-CG2 4.45Å; L390-I427 HydrophobicContact CD1-CD1 4.45Å; C391-I427 WeakPolarHBondContact SG-CG2 3.25Å; L394-I427 HydrophobicContact CD1-CD1 3.55Å; L423-I427 HydrophobicContact CG-CD1 4.25Å; L423-I427 VanDerWaalsContact O-CG1 3.25Å; L423-I427 WeakPolarHBondContact O-CG1 3.49Å; L423-I427 PolarHBondContact O-N 3.09Å; L424-I427 PolarHBondContact O-N 3.21Å; A425-I427 VanDerWaalsContact C-N 3.34Å; A425-I427 PolarHBondContact O-N 3.44Å; I427-R430 PolarHBondContact O-N 3.24Å; I427-L431 WeakPolarHBondContact O-CB 3.47Å; I427-L431 PolarHBondContact O-N 3.44Å
428	Q	93.7	Very high	92.6	Very high	39 Å²	39	44.8 Å²	44.8	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-45.6	178	-75.9	173.9	-29.2	0	0	111.6	L424 A425 R430 L431 I432 C547 L548	L424-Q428 HydrophobicContact CD1-CG 4.28Å; L424-Q428 HydrophobicContact CG-CG 4.4Å; L424-Q428 WeakPolarHBondContact O-CB 3.43Å; L424-Q428 WeakPolarHBondContact O-CG 3.4Å; L424-Q428 PolarHBondContact O-N 3Å; A425-Q428 PolarHBondContact O-N 3.4Å; Q428-R430 VanDerWaalsContact C-N 3.3Å; Q428-R430 PolarHBondContact O-N 3.22Å; Q428-L431 WeakPolarHBondContact O-CB 3.16Å; Q428-L431 PolarHBondContact O-N 3.08Å; Q428-I432 VanDerWaalsContact O-CG1 3.26Å; Q428-I432 WeakPolarHBondContact O-CG1 3.41Å; Q428-I432 PolarHBondContact O-N 3.32Å; Q428-C547 PolarHBondContact NE2-O 3.36Å; Q428-L548 HydrophobicContact CB-CD2 4.07Å; Q428-L548 HydrophobicContact CG-CD2 4.09Å
429	E	93.2	Very high	92.9	Very high	142 Å²	142	40.3 Å²	40.3	66%	0.664	21%	0.205	S	C	*	.	H	α-helix	trans	-58.6	-46.2	174.9	-173.9	-177.4	169.3	0	0	110.6	A425 L431 I432 F433	A425-E429 PolarHBondContact O-N 3.01Å; E429-L431 VanDerWaalsContact C-N 3.34Å; E429-L431 PolarHBondContact O-N 3.48Å; E429-I432 PolarHBondContact O-N 3.13Å; E429-F433 PolarHBondContact O-N 3.23Å
430	R	94.8	Very high	93.2	Very high	39 Å²	39	46.3 Å²	46.3	15%	0.147	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-39.6	177.4	-178.9	56.8	176.7	-158.2	-11	112.5	I378 I379 I381 L387 D426 I427 Q428 F433 R434	I378-R430 HydrophobicContact CG2-CB 4.17Å; I378-R430 HydrophobicContact CG2-CG 4.27Å; I379-R430 PolarHBondContact O-NH1 3.32Å; I379-R430 PolarHBondContact O-NH2 3.22Å; I381-R430 PolarHBondContact O-NE 2.91Å; I381-R430 VanDerWaalsContact O-NE 3.09Å; I381-R430 PolarHBondContact O-NH2 3.26Å; L387-R430 HydrophobicContact CD1-CG 3.87Å; L387-R430 HydrophobicContact CD2-CG 3.98Å; D426-R430 VanDerWaalsContact O-CB 3.29Å; D426-R430 WeakPolarHBondContact O-CB 3.07Å; D426-R430 PolarHBondContact O-N 3.29Å; D426-R430 VanDerWaalsContact O-N 3.07Å; I427-R430 PolarHBondContact O-N 3.24Å; Q428-R430 VanDerWaalsContact C-N 3.3Å; Q428-R430 PolarHBondContact O-N 3.22Å; R430-F433 PolarHBondContact O-N 3.19Å; R430-R434 VanDerWaalsContact CZ-NE 3.28Å; R430-R434 VanDerWaalsContact NH2-NE 3.11Å; R430-R434 WeakPolarHBondContact O-CB 3.12Å; R430-R434 WeakPolarHBondContact O-CG 3.49Å; R430-R434 PolarHBondContact O-N 2.78Å
431	L	94.5	Very high	93.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-45.9	177.5	177.6	66	0	0	0	110.5	V384 L387 I427 Q428 E429 F433 R434 A435 L544 C547 L548	V384-L431 HydrophobicContact CB-CD1 4.45Å; V384-L431 HydrophobicContact CG1-CD1 3.65Å; L387-L431 HydrophobicContact CB-CB 4.24Å; L387-L431 HydrophobicContact CB-CD1 3.71Å; L387-L431 HydrophobicContact CD1-CD1 4.49Å; I427-L431 WeakPolarHBondContact O-CB 3.47Å; I427-L431 PolarHBondContact O-N 3.44Å; Q428-L431 WeakPolarHBondContact O-CB 3.16Å; Q428-L431 PolarHBondContact O-N 3.08Å; E429-L431 VanDerWaalsContact C-N 3.34Å; E429-L431 PolarHBondContact O-N 3.48Å; L431-F433 PolarHBondContact O-N 2.9Å; L431-R434 PolarHBondContact O-N 2.7Å; L431-A435 WeakPolarHBondContact O-CB 3.39Å; L431-A435 PolarHBondContact O-N 3.42Å; L431-L544 HydrophobicContact CD1-CD2 4.3Å; L431-L544 HydrophobicContact CD2-CD2 4.17Å; L431-L544 HydrophobicContact CG-CD2 4.01Å; L431-C547 HydrophobicContact CD2-CB 3.54Å; L431-L548 HydrophobicContact CD2-CD2 4.2Å; L431-L548 HydrophobicContact CD2-CG 4.5Å
432	I	93.3	Very high	93.4	Very high	57 Å²	57	50.6 Å²	50.6	29%	0.292	25%	0.247	S	C	.	.	H	α-helix	trans	-58.1	-49.1	176.1	-68	162.9	0	0	0	110	Q428 E429 R434 A435 H436 L548	Q428-I432 VanDerWaalsContact O-CG1 3.26Å; Q428-I432 WeakPolarHBondContact O-CG1 3.41Å; Q428-I432 PolarHBondContact O-N 3.32Å; E429-I432 PolarHBondContact O-N 3.13Å; I432-R434 PolarHBondContact O-N 3.26Å; I432-A435 PolarHBondContact O-N 3.34Å; I432-H436 WeakPolarHBondContact O-CB 3.29Å; I432-H436 PolarHBondContact O-N 3.45Å; I432-L548 HydrophobicContact CD1-CD2 4.05Å; I432-L548 HydrophobicContact CG1-CD1 3.85Å; I432-L548 HydrophobicContact CG1-CD2 3.81Å
433	F	94.2	Very high	93.4	Very high	112 Å²	112	47.8 Å²	47.8	49%	0.491	23%	0.233	S	C	.	.	H	α-helix	trans	-60	-47	178.4	176.8	-105.7	0	0	0	112.5	E429 R430 L431 H436 I437	E429-F433 PolarHBondContact O-N 3.23Å; R430-F433 PolarHBondContact O-N 3.19Å; L431-F433 PolarHBondContact O-N 2.9Å; F433-H436 PolarHBondContact O-N 2.87Å; F433-I437 HydrophobicContact CD1-CD1 4.01Å; F433-I437 HydrophobicContact CE1-CD1 3.44Å; F433-I437 VanDerWaalsContact CE1-CD1 3.44Å; F433-I437 HydrophobicContact CE2-CD1 4.16Å; F433-I437 HydrophobicContact CZ-CD1 3.54Å; F433-I437 WeakPolarHBondContact O-CG1 3.49Å; F433-I437 PolarHBondContact O-N 3Å
434	R	94.3	Very high	93.4	Very high	53 Å²	53	50.6 Å²	50.6	20%	0.2	25%	0.245	C	C	.	.	H	α-helix	trans	-69.7	-34.4	179.2	-71.7	-62.4	-178.6	-164.3	-2.3	112.7	N382 V384 L387 R430 L431 I432 I437 Y438	N382-R434 PolarHBondContact OD1-NE 3.23Å; N382-R434 PolarHBondContact OD1-NH2 2.94Å; V384-R434 HydrophobicContact CG2-CB 4.05Å; L387-R434 HydrophobicContact CD1-CB 4.08Å; L387-R434 HydrophobicContact CD1-CG 3.97Å; R430-R434 VanDerWaalsContact CZ-NE 3.28Å; R430-R434 VanDerWaalsContact NH2-NE 3.11Å; R430-R434 WeakPolarHBondContact O-CB 3.12Å; R430-R434 WeakPolarHBondContact O-CG 3.49Å; R430-R434 PolarHBondContact O-N 2.78Å; L431-R434 PolarHBondContact O-N 2.7Å; I432-R434 PolarHBondContact O-N 3.26Å; R434-I437 PolarHBondContact O-N 2.74Å; R434-Y438 WeakPolarHBondContact O-CB 3.43Å; R434-Y438 PolarHBondContact O-N 3.34Å
435	A	93.5	Very high	93.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-41.3	174.6	0	0	0	0	0	111.5	L431 I432 I437 Y438 I439 L544 L556	L431-A435 WeakPolarHBondContact O-CB 3.39Å; L431-A435 PolarHBondContact O-N 3.42Å; I432-A435 PolarHBondContact O-N 3.34Å; A435-I437 VanDerWaalsContact C-N 3.35Å; A435-I437 PolarHBondContact O-N 3.07Å; A435-Y438 WeakPolarHBondContact O-CB 3.26Å; A435-Y438 PolarHBondContact O-N 3.23Å; A435-Y438 VanDerWaalsContact O-N 3.16Å; A435-I439 WeakPolarHBondContact O-CB 3.42Å; A435-I439 WeakPolarHBondContact O-CD1 3.44Å; A435-I439 WeakPolarHBondContact O-CG1 3.48Å; A435-I439 PolarHBondContact O-N 3.36Å; A435-L544 HydrophobicContact CB-CD1 4.24Å; A435-L544 HydrophobicContact CB-CD2 3.87Å; A435-L556 HydrophobicContact CB-CD1 4.37Å; A435-L556 HydrophobicContact CB-CD2 3.71Å
436	H	92.6	Very high	93.2	Very high	84 Å²	84	50.9 Å²	50.9	39%	0.389	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-43.8	174.7	-165.9	84.1	0	0	0	111.7	I432 F433 Y438 I439 K440 L556 E559	I432-H436 WeakPolarHBondContact O-CB 3.29Å; I432-H436 PolarHBondContact O-N 3.45Å; F433-H436 PolarHBondContact O-N 2.87Å; H436-Y438 PolarHBondContact O-N 2.93Å; H436-I439 PolarHBondContact O-N 3.41Å; H436-K440 WeakPolarHBondContact O-CB 3.42Å; H436-K440 PolarHBondContact O-N 3.02Å; H436-L556 HydrophobicContact CB-CD1 4.49Å; H436-E559 IonicContact CE1-OE1 3.9Å; H436-E559 PolarHBondContact CE1-OE1 2.86Å; H436-E559 IonicContact CE1-OE2 3.17Å; H436-E559 PolarHBondContact CE1-OE2 3.03Å; H436-E559 IonicContact CG-OE2 2.65Å; H436-E559 VanDerWaalsContact ND1-CD 3.31Å; H436-E559 IonicContact ND1-OE1 2.69Å; H436-E559 PolarHBondContact ND1-OE1 3.06Å; H436-E559 IonicContact ND1-OE2 3.03Å; H436-E559 PolarHBondContact ND1-OE2 3.21Å; H436-E559 IonicContact NE2-OE1 3.68Å
437	I	93	Very high	93.1	Very high	67 Å²	67	55.1 Å²	55.1	34%	0.344	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-42.8	173.6	-65.9	170.9	0	0	0	111.3	F433 R434 A435 K440 S441	F433-I437 HydrophobicContact CD1-CD1 4.01Å; F433-I437 HydrophobicContact CE1-CD1 3.44Å; F433-I437 VanDerWaalsContact CE1-CD1 3.44Å; F433-I437 HydrophobicContact CE2-CD1 4.16Å; F433-I437 HydrophobicContact CZ-CD1 3.54Å; F433-I437 WeakPolarHBondContact O-CG1 3.49Å; F433-I437 PolarHBondContact O-N 3Å; R434-I437 PolarHBondContact O-N 2.74Å; A435-I437 VanDerWaalsContact C-N 3.35Å; A435-I437 PolarHBondContact O-N 3.07Å; I437-K440 PolarHBondContact O-N 2.93Å; I437-S441 WeakPolarHBondContact O-CB 3.16Å; I437-S441 PolarHBondContact O-N 2.93Å; I437-S441 PolarHBondContact O-OG 3.25Å
438	Y	94.2	Very high	92.8	Very high	45 Å²	45	56.5 Å²	56.5	18%	0.176	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-46.4	177.4	177.4	-88.1	0	0	0	111.2	V384 R434 A435 H436 K440 S441 Q442 I443 R536 C540	V384-Y438 HydrophobicContact CG2-CG 4.38Å; R434-Y438 WeakPolarHBondContact O-CB 3.43Å; R434-Y438 PolarHBondContact O-N 3.34Å; A435-Y438 WeakPolarHBondContact O-CB 3.26Å; A435-Y438 PolarHBondContact O-N 3.23Å; A435-Y438 VanDerWaalsContact O-N 3.16Å; H436-Y438 PolarHBondContact O-N 2.93Å; Y438-K440 PolarHBondContact O-N 3.44Å; Y438-S441 PolarHBondContact O-N 3.21Å; Y438-S441 PolarHBondContact O-OG 3.14Å; Y438-Q442 HydrophobicContact CD1-CB 4.44Å; Y438-Q442 HydrophobicContact CD2-CB 4.08Å; Y438-Q442 HydrophobicContact CD2-CG 3.68Å; Y438-Q442 HydrophobicContact CE1-CB 4.25Å; Y438-Q442 HydrophobicContact CE2-CB 3.9Å; Y438-Q442 HydrophobicContact CE2-CG 3.71Å; Y438-Q442 HydrophobicContact CG-CB 4.35Å; Y438-Q442 HydrophobicContact CG-CG 4.29Å; Y438-Q442 WeakPolarHBondContact O-CA 3.2Å; Y438-Q442 VanDerWaalsContact O-CB 3.28Å; Y438-Q442 WeakPolarHBondContact O-CB 3.5Å; Y438-Q442 PolarHBondContact O-N 2.95Å; Y438-I443 HydrophobicContact CE1-CD1 4.25Å; Y438-R536 WeakPolarHBondContact OH-CB 3.23Å; Y438-C540 HydrophobicContact CE1-CB 4.11Å
439	I	93.1	Very high	92.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.294	C	S	.	.	I	π-helix	trans	-60.6	-48.1	178.2	-68.1	160.8	0	0	0	110.4	A435 H436 S441 I443 F444 L556 C560 M563	A435-I439 WeakPolarHBondContact O-CB 3.42Å; A435-I439 WeakPolarHBondContact O-CD1 3.44Å; A435-I439 WeakPolarHBondContact O-CG1 3.48Å; A435-I439 PolarHBondContact O-N 3.36Å; H436-I439 PolarHBondContact O-N 3.41Å; I439-S441 PolarHBondContact O-N 3.42Å; I439-I443 HydrophobicContact CB-CD1 4.44Å; I439-I443 HydrophobicContact CG1-CD1 4.13Å; I439-I443 HydrophobicContact CG2-CD1 4.47Å; I439-I443 VanDerWaalsContact O-CB 3.3Å; I439-I443 WeakPolarHBondContact O-CB 3.18Å; I439-I443 PolarHBondContact O-N 3.23Å; I439-F444 PolarHBondContact O-N 3.11Å; I439-L556 HydrophobicContact CD1-CD1 3.5Å; I439-L556 VanDerWaalsContact CD1-CD1 3.5Å; I439-L556 HydrophobicContact CD1-CG 3.94Å; I439-C560 HydrophobicContact CD1-CB 3.76Å; I439-C560 HydrophobicContact CG1-CB 4.11Å; I439-C560 HydrophobicContact CG2-CB 4.48Å; I439-M563 HydrophobicContact CG2-CB 3.93Å; I439-M563 HydrophobicContact CG2-CG 3.94Å
440	K	93.3	Very high	92.1	Very high	129 Å²	129	55.1 Å²	55.1	56%	0.561	29%	0.294	S	S	*	.	I	π-helix	trans	-64.1	-40.4	179.9	-170.4	172.9	-178	174.2	0	112.9	H436 I437 Y438 G445	H436-K440 WeakPolarHBondContact O-CB 3.42Å; H436-K440 PolarHBondContact O-N 3.02Å; I437-K440 PolarHBondContact O-N 2.93Å; Y438-K440 PolarHBondContact O-N 3.44Å; K440-G445 PolarHBondContact O-N 2.93Å
441	S	92.7	Very high	91.7	Very high	52 Å²	52	55.1 Å²	55.1	36%	0.364	31%	0.306	S	S	.	.	I	π-helix	trans	-85.9	-48.6	-175.7	58.9	0	0	0	0	113.7	I437 Y438 I439 G445 F446	I437-S441 WeakPolarHBondContact O-CB 3.16Å; I437-S441 PolarHBondContact O-N 2.93Å; I437-S441 PolarHBondContact O-OG 3.25Å; Y438-S441 PolarHBondContact O-N 3.21Å; Y438-S441 PolarHBondContact O-OG 3.14Å; I439-S441 PolarHBondContact O-N 3.42Å; S441-G445 CarbonylContact O-C 3.46Å; S441-G445 VanDerWaalsContact O-C 3.26Å; S441-G445 WeakPolarHBondContact O-CA 3.49Å; S441-F446 PolarHBondContact O-N 2.88Å
442	Q	91.6	Very high	91.3	Very high	77 Å²	77	56.7 Å²	56.7	36%	0.36	32%	0.315	S	S	.	.	I	π-helix	trans	-93.6	-14.5	-170	-60.1	-61.3	-22.3	0	0	114.4	Y438 R536	Y438-Q442 HydrophobicContact CD1-CB 4.44Å; Y438-Q442 HydrophobicContact CD2-CB 4.08Å; Y438-Q442 HydrophobicContact CD2-CG 3.68Å; Y438-Q442 HydrophobicContact CE1-CB 4.25Å; Y438-Q442 HydrophobicContact CE2-CB 3.9Å; Y438-Q442 HydrophobicContact CE2-CG 3.71Å; Y438-Q442 HydrophobicContact CG-CB 4.35Å; Y438-Q442 HydrophobicContact CG-CG 4.29Å; Y438-Q442 WeakPolarHBondContact O-CA 3.2Å; Y438-Q442 VanDerWaalsContact O-CB 3.28Å; Y438-Q442 WeakPolarHBondContact O-CB 3.5Å; Y438-Q442 PolarHBondContact O-N 2.95Å; Q442-R536 PolarHBondContact O-NH1 2.99Å; Q442-R536 VanDerWaalsContact O-NH1 3.1Å
443	I	93.5	Very high	90.9	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	I	π-helix	trans	-112.3	-61.9	177.7	-61.5	166.8	0	0	0	110	Y438 I439 R536 T537 C560 M563 C564 S567	Y438-I443 HydrophobicContact CE1-CD1 4.25Å; I439-I443 HydrophobicContact CB-CD1 4.44Å; I439-I443 HydrophobicContact CG1-CD1 4.13Å; I439-I443 HydrophobicContact CG2-CD1 4.47Å; I439-I443 VanDerWaalsContact O-CB 3.3Å; I439-I443 WeakPolarHBondContact O-CB 3.18Å; I439-I443 PolarHBondContact O-N 3.23Å; I443-R536 HydrophobicContact CG1-CB 4.36Å; I443-T537 WeakPolarHBondContact CD1-OG1 3.36Å; I443-C560 VanDerWaalsContact CD1-SG 3.58Å; I443-M563 HydrophobicContact CG2-CB 4.33Å; I443-C564 HydrophobicContact CG2-CB 3.95Å; I443-S567 WeakPolarHBondContact O-CB 3.27Å; I443-S567 PolarHBondContact O-OG 3.21Å
444	F	92.2	Very high	90.5	Very high	62 Å²	62	51 Å²	51	27%	0.272	29%	0.292	S	S	.	.	I	π-helix	trans	-72	-44.4	-178.7	177.1	-102.8	0	0	0	113	I439 F446 M563 Q566 K570	I439-F444 PolarHBondContact O-N 3.11Å; F444-F446 VanDerWaalsContact C-N 3.27Å; F444-F446 PolarHBondContact O-N 2.83Å; F444-M563 HydrophobicContact CB-CB 4.12Å; F444-M563 HydrophobicContact CB-CE 4.13Å; F444-M563 HydrophobicContact CB-CG 4.24Å; F444-M563 HydrophobicContact CB-SD 3.76Å; F444-M563 HydrophobicContact CD1-CE 4.42Å; F444-M563 HydrophobicContact CD2-CE 4.26Å; F444-M563 HydrophobicContact CD2-SD 3.43Å; F444-M563 WeakPolarHBondContact CD2-SD 3.44Å; F444-M563 HydrophobicContact CE2-SD 4.16Å; F444-M563 HydrophobicContact CG-CE 4.01Å; F444-M563 HydrophobicContact CG-SD 3.67Å; F444-Q566 HydrophobicContact CD2-CB 4.4Å; F444-Q566 HydrophobicContact CE2-CB 4.43Å; F444-Q566 VanDerWaalsContact CE2-OE1 3.3Å; F444-K570 VanDerWaalsContact CE2-NZ 3.27Å
445	G	89.8	Confident	90	Very high	42 Å²	42	48.6 Å²	48.6	43%	0.433	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	8	178.8	0	0	0	0	0	114.6	K440 S441 V447	K440-G445 PolarHBondContact O-N 2.93Å; S441-G445 CarbonylContact O-C 3.46Å; S441-G445 VanDerWaalsContact O-C 3.26Å; S441-G445 WeakPolarHBondContact O-CA 3.49Å; G445-V447 PolarHBondContact O-N 3.32Å
446	F	92.7	Very high	89.4	Confident	33 Å²	33	49.4 Å²	49.4	15%	0.145	29%	0.288	C	S	.	.			trans	-64.2	124.1	179.2	-179.4	-105.4	0	0	0	110.9	S441 F444 P448 Y531 P532 T533	S441-F446 PolarHBondContact O-N 2.88Å; F444-F446 VanDerWaalsContact C-N 3.27Å; F444-F446 PolarHBondContact O-N 2.83Å; F446-P448 HydrophobicContact CE1-CB 4.03Å; F446-Y531 HydrophobicContact CD1-CE1 4.45Å; F446-Y531 WeakPolarHBondContact CD1-OH 3.25Å; F446-Y531 HydrophobicContact CE1-CE2 4.3Å; F446-Y531 AromaticContact CE1-CZ 3.89Å; F446-P532 HydrophobicContact CE1-CB 4.21Å; F446-P532 HydrophobicContact CE1-CG 4.29Å; F446-P532 HydrophobicContact CE2-CB 4.23Å; F446-P532 HydrophobicContact CZ-CB 3.78Å; F446-P532 HydrophobicContact CZ-CG 3.89Å; F446-T533 HydrophobicContact CB-CG2 3.56Å; F446-T533 HydrophobicContact CD1-CG2 3.45Å; F446-T533 VanDerWaalsContact CD1-CG2 3.45Å; F446-T533 HydrophobicContact CD2-CG2 4.45Å; F446-T533 HydrophobicContact CE1-CG2 4.26Å; F446-T533 HydrophobicContact CG-CG2 3.56Å
447	V	89.7	Confident	89	Confident	125 Å²	125	48 Å²	48	76%	0.758	28%	0.282	S	S	*	.			trans	-98.5	112.7	173.7	-178.3	0	0	0	0	107.8	G445	G445-V447 PolarHBondContact O-N 3.32Å
448	P	89.3	Confident	88.4	Confident	28 Å²	28	47 Å²	47	18%	0.182	28%	0.275	C	S	.	.			trans	-68.7	137.4	-177.2	26.9	-33	0	0	0	111.5	F446 D452 L453 Y531 L574	F446-P448 HydrophobicContact CE1-CB 4.03Å; P448-D452 HydrophobicContact CB-CB 4.1Å; P448-L453 HydrophobicContact CB-CD1 4.3Å; P448-L453 HydrophobicContact CB-CD2 3.8Å; P448-L453 HydrophobicContact CB-CG 3.88Å; P448-L453 HydrophobicContact CG-CD1 4.1Å; P448-L453 HydrophobicContact CG-CD2 3.91Å; P448-L453 HydrophobicContact CG-CG 4.15Å; P448-Y531 HydrophobicContact CB-CE2 4.39Å; P448-L574 HydrophobicContact CG-CD1 3.71Å
449	S	88.5	Confident	87.8	Confident	58 Å²	58	45.1 Å²	45.1	41%	0.406	27%	0.268	S	S	.	.			trans	-74.4	164.3	170.5	70.8	0	0	0	0	111.1	G451 D452 L453	S449-G451 PolarHBondContact O-N 2.93Å; S449-D452 WeakPolarHBondContact CB-OD2 3.11Å; S449-D452 PolarHBondContact N-OD2 2.76Å; S449-D452 PolarHBondContact O-N 3.34Å; S449-D452 PolarHBondContact OG-N 3.01Å; S449-D452 PolarHBondContact OG-OD2 3.43Å; S449-L453 PolarHBondContact O-N 3.42Å
450	S	84.1	Confident	87.3	Confident	94 Å²	94	48 Å²	48	66%	0.657	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.6	175.3	58.4	0	0	0	0	112.7	R578	S450-R578 PolarHBondContact O-NH1 3.24Å
451	G	85	Confident	86.6	Confident	39 Å²	39	48 Å²	48	40%	0.402	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-37.6	172.4	0	0	0	0	0	112.9	S449 L453 S454	S449-G451 PolarHBondContact O-N 2.93Å; G451-L453 PolarHBondContact O-N 3.3Å; G451-S454 WeakPolarHBondContact O-CB 2.99Å; G451-S454 PolarHBondContact O-N 2.61Å; G451-S454 PolarHBondContact O-OG 3.15Å
452	D	85.9	Confident	85.8	Confident	33 Å²	33	46.6 Å²	46.6	18%	0.176	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.9	177	-60	-48.1	0	0	0	112.6	P448 S449 Y455 Y531 P532	P448-D452 HydrophobicContact CB-CB 4.1Å; S449-D452 WeakPolarHBondContact CB-OD2 3.11Å; S449-D452 PolarHBondContact N-OD2 2.76Å; S449-D452 PolarHBondContact O-N 3.34Å; S449-D452 PolarHBondContact OG-N 3.01Å; S449-D452 PolarHBondContact OG-OD2 3.43Å; D452-Y455 WeakPolarHBondContact O-CE2 3.2Å; D452-Y531 HydrophobicContact CB-CE2 4.15Å; D452-P532 VanDerWaalsContact OD1-CG 3.31Å; D452-P532 WeakPolarHBondContact OD1-CG 3.47Å
453	L	86.7	Confident	85	Confident	23 Å²	23	45.1 Å²	45.1	12%	0.12	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	11.3	177.7	-58.1	176.5	0	0	0	113.5	P448 S449 G451 Y455 L574 I575 R578	P448-L453 HydrophobicContact CB-CD1 4.3Å; P448-L453 HydrophobicContact CB-CD2 3.8Å; P448-L453 HydrophobicContact CB-CG 3.88Å; P448-L453 HydrophobicContact CG-CD1 4.1Å; P448-L453 HydrophobicContact CG-CD2 3.91Å; P448-L453 HydrophobicContact CG-CG 4.15Å; S449-L453 PolarHBondContact O-N 3.42Å; G451-L453 PolarHBondContact O-N 3.3Å; L453-Y455 PolarHBondContact O-N 3.08Å; L453-L574 HydrophobicContact CD1-CB 4.15Å; L453-L574 HydrophobicContact CD1-CD1 4.32Å; L453-L574 HydrophobicContact CD2-CB 4.17Å; L453-I575 HydrophobicContact CD2-CG1 4.03Å; L453-R578 VanDerWaalsContact C-NH1 3.32Å; L453-R578 PolarHBondContact O-NH1 3.24Å; L453-R578 VanDerWaalsContact O-NH1 3.09Å
454	S	85.8	Confident	84.2	Confident	28 Å²	28	49.2 Å²	49.2	20%	0.196	29%	0.289	C	S	.	.			trans	-80.9	54.8	-178	62.4	0	0	0	0	112.9	G451 E457 K458	G451-S454 WeakPolarHBondContact O-CB 2.99Å; G451-S454 PolarHBondContact O-N 2.61Å; G451-S454 PolarHBondContact O-OG 3.15Å; S454-E457 PolarHBondContact O-N 2.92Å; S454-K458 WeakPolarHBondContact O-CB 3.38Å; S454-K458 PolarHBondContact O-N 3.41Å
455	Y	83.1	Confident	83.4	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.008	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	134.2	173.9	-68.8	-84.4	0	0	0	109.7	D452 L453 E457 L459 M529 I575 F587 Y757	D452-Y455 WeakPolarHBondContact O-CE2 3.2Å; L453-Y455 PolarHBondContact O-N 3.08Å; Y455-E457 VanDerWaalsContact C-OE2 3.27Å; Y455-E457 PolarHBondContact N-OE2 3.41Å; Y455-L459 HydrophobicContact CD1-CD1 3.87Å; Y455-L459 HydrophobicContact CD1-CG 3.93Å; Y455-L459 HydrophobicContact CE1-CD1 4.17Å; Y455-L459 HydrophobicContact CE1-CD2 4.24Å; Y455-L459 HydrophobicContact CE1-CG 4.04Å; Y455-M529 PolarHBondContact OH-O 2.91Å; Y455-I575 HydrophobicContact CD2-CD1 3.81Å; Y455-I575 HydrophobicContact CG-CD1 4.36Å; Y455-F587 HydrophobicContact CD1-CD2 4.22Å; Y455-F587 AromaticContact CD2-CD2 3.72Å; Y455-F587 HydrophobicContact CD2-CD2 3.72Å; Y455-F587 AromaticContact CD2-CE2 3.87Å; Y455-F587 HydrophobicContact CD2-CE2 3.87Å; Y455-F587 HydrophobicContact CE1-CD2 4.2Å; Y455-F587 HydrophobicContact CE1-CE2 4.49Å; Y455-F587 AromaticContact CE2-CD2 3.68Å; Y455-F587 HydrophobicContact CE2-CD2 3.68Å; Y455-F587 AromaticContact CE2-CE2 3.43Å; Y455-F587 HydrophobicContact CE2-CE2 3.43Å; Y455-F587 VanDerWaalsContact CE2-CE2 3.43Å; Y455-F587 AromaticContact CG-CD2 3.99Å; Y455-F587 HydrophobicContact CG-CD2 3.99Å; Y455-F587 AromaticContact CZ-CD2 3.94Å; Y455-F587 AromaticContact CZ-CE2 3.79Å; Y455-Y757 HydrophobicContact CD1-CE1 4.19Å
456	P	81.2	Confident	82.6	Confident	17 Å²	17	49.8 Å²	49.8	11%	0.11	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.9	1	7.4	34.1	-35.4	0	0	0	115.5	K458 L459 E460 I756 Y757	P456-K458 PolarHBondContact O-N 3.34Å; P456-K458 VanDerWaalsContact O-N 3.13Å; P456-L459 WeakPolarHBondContact O-CA 3.45Å; P456-L459 WeakPolarHBondContact O-CB 3.4Å; P456-L459 PolarHBondContact O-N 2.84Å; P456-E460 PolarHBondContact O-N 3.09Å; P456-I756 HydrophobicContact CB-CG2 4.43Å; P456-Y757 HydrophobicContact CB-CE2 3.84Å; P456-Y757 WeakPolarHBondContact CB-OH 3.41Å
457	E	83.7	Confident	81.6	Confident	54 Å²	54	52.8 Å²	52.8	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-56.4	-38.5	-169.1	-59.3	85.6	174.9	0	0	112.8	S454 Y455 L459 E460 M461 R579	S454-E457 PolarHBondContact O-N 2.92Å; Y455-E457 VanDerWaalsContact C-OE2 3.27Å; Y455-E457 PolarHBondContact N-OE2 3.41Å; E457-L459 VanDerWaalsContact C-N 3.32Å; E457-L459 PolarHBondContact O-N 2.75Å; E457-E460 PolarHBondContact O-N 3.29Å; E457-M461 VanDerWaalsContact O-CB 3.3Å; E457-M461 WeakPolarHBondContact O-CB 3.37Å; E457-M461 PolarHBondContact O-N 3.28Å; E457-R579 IonicContact OE1-CZ 2.68Å; E457-R579 IonicContact OE1-NE 3.85Å; E457-R579 PolarHBondContact OE1-NE 3.32Å; E457-R579 IonicContact OE1-NH2 2.77Å; E457-R579 PolarHBondContact OE1-NH2 3Å
458	K	81.4	Confident	80.8	Confident	45 Å²	45	50.5 Å²	50.5	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-39.8	175.1	-173.1	-179.9	-177.8	-169.5	0	112.5	S454 P456 M462 M529	S454-K458 WeakPolarHBondContact O-CB 3.38Å; S454-K458 PolarHBondContact O-N 3.41Å; P456-K458 PolarHBondContact O-N 3.34Å; P456-K458 VanDerWaalsContact O-N 3.13Å; K458-M462 WeakPolarHBondContact O-CB 3.46Å; K458-M462 PolarHBondContact O-N 2.99Å; K458-M529 HydrophobicContact CD-SD 4.32Å; K458-M529 WeakPolarHBondContact CE-SD 3.09Å; K458-M529 HydrophobicContact CG-SD 4.13Å; K458-M529 PolarHBondContact NZ-O 3.34Å; K458-M529 VanDerWaalsContact NZ-O 3.09Å
459	L	81.4	Confident	79.8	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-77.9	-37.4	179.9	-61	177.3	0	0	0	111.6	Y455 P456 E457 M462 N463 A524 I756 Y757	Y455-L459 HydrophobicContact CD1-CD1 3.87Å; Y455-L459 HydrophobicContact CD1-CG 3.93Å; Y455-L459 HydrophobicContact CE1-CD1 4.17Å; Y455-L459 HydrophobicContact CE1-CD2 4.24Å; Y455-L459 HydrophobicContact CE1-CG 4.04Å; P456-L459 WeakPolarHBondContact O-CA 3.45Å; P456-L459 WeakPolarHBondContact O-CB 3.4Å; P456-L459 PolarHBondContact O-N 2.84Å; E457-L459 VanDerWaalsContact C-N 3.32Å; E457-L459 PolarHBondContact O-N 2.75Å; L459-M462 HydrophobicContact CD2-CE 3.87Å; L459-M462 PolarHBondContact O-N 3.19Å; L459-N463 WeakPolarHBondContact O-CB 3.08Å; L459-N463 PolarHBondContact O-N 2.9Å; L459-A524 HydrophobicContact CD2-CB 4.38Å; L459-I756 HydrophobicContact CB-CG2 3.5Å; L459-I756 HydrophobicContact CD1-CG2 4.13Å; L459-I756 HydrophobicContact CG-CG2 4.48Å; L459-Y757 HydrophobicContact CD1-CD1 3.58Å; L459-Y757 HydrophobicContact CD1-CE1 3.77Å; L459-Y757 HydrophobicContact CD1-CG 3.98Å
460	E	81.7	Confident	78.4	Confident	60 Å²	60	56.1 Å²	56.1	28%	0.28	33%	0.325	S	S	.	.	H	α-helix	trans	-64.8	-49.9	175.4	-70.6	-167.2	140.3	0	0	111.4	P456 E457 M462 N463 D464 K752 I756	P456-E460 PolarHBondContact O-N 3.09Å; E457-E460 PolarHBondContact O-N 3.29Å; E460-M462 PolarHBondContact O-N 3.06Å; E460-N463 PolarHBondContact O-N 3.35Å; E460-N463 VanDerWaalsContact O-N 3.11Å; E460-D464 PolarHBondContact O-N 3.28Å; E460-K752 IonicContact OE1-NZ 3.77Å; E460-K752 PolarHBondContact OE1-NZ 3.02Å; E460-I756 HydrophobicContact CG-CD1 3.85Å; E460-I756 HydrophobicContact CG-CG2 4.3Å
461	M	79.2	Confident	76.3	Confident	128 Å²	128	58 Å²	58	63%	0.631	33%	0.325	S	S	*	.	H	α-helix	trans	-53.6	-43.4	175.8	-177.5	-174.3	-66.5	0	0	111.2	E457 D464 I465	E457-M461 VanDerWaalsContact O-CB 3.3Å; E457-M461 WeakPolarHBondContact O-CB 3.37Å; E457-M461 PolarHBondContact O-N 3.28Å; M461-D464 PolarHBondContact O-N 3.4Å; M461-I465 HydrophobicContact CG-CD1 4.07Å; M461-I465 WeakPolarHBondContact O-CD1 3.45Å; M461-I465 VanDerWaalsContact O-CG1 3.22Å; M461-I465 WeakPolarHBondContact O-CG1 3.34Å; M461-I465 PolarHBondContact O-N 2.91Å
462	M	74.7	Confident	74.2	Confident	24 Å²	24	61.1 Å²	61.1	12%	0.118	34%	0.338	C	S	.	.	H	α-helix	trans	-71.2	-38.2	179.2	-178.9	161	46.6	0	0	113.6	K458 L459 E460 D464 I465 A466 A524 M529	K458-M462 WeakPolarHBondContact O-CB 3.46Å; K458-M462 PolarHBondContact O-N 2.99Å; L459-M462 HydrophobicContact CD2-CE 3.87Å; L459-M462 PolarHBondContact O-N 3.19Å; E460-M462 PolarHBondContact O-N 3.06Å; M462-D464 VanDerWaalsContact C-N 3.26Å; M462-D464 PolarHBondContact O-N 2.71Å; M462-I465 PolarHBondContact O-N 2.9Å; M462-A466 WeakPolarHBondContact O-CB 3.41Å; M462-A466 PolarHBondContact O-N 3.5Å; M462-A524 HydrophobicContact CE-CB 3.33Å; M462-A524 WeakPolarHBondContact SD-CA 3.47Å; M462-A524 HydrophobicContact SD-CB 4.08Å; M462-M529 HydrophobicContact CE-CB 4.08Å; M462-M529 HydrophobicContact CE-CG 3.49Å; M462-M529 VanDerWaalsContact CE-CG 3.49Å; M462-M529 HydrophobicContact CE-SD 3.57Å; M462-M529 VanDerWaalsContact CE-SD 3.57Å; M462-M529 HydrophobicContact SD-CG 3.45Å; M462-M529 WeakPolarHBondContact SD-CG 3.1Å; M462-M529 HydrophobicContact SD-SD 3.63Å; M462-M529 VanDerWaalsContact SD-SD 3.63Å
463	N	74.6	Confident	72.1	Confident	46 Å²	46	65.9 Å²	65.9	25%	0.246	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-36.5	173.6	-167.6	10.2	0	0	0	110.8	L459 E460 A466 K467	L459-N463 WeakPolarHBondContact O-CB 3.08Å; L459-N463 PolarHBondContact O-N 2.9Å; E460-N463 PolarHBondContact O-N 3.35Å; E460-N463 VanDerWaalsContact O-N 3.11Å; N463-A466 WeakPolarHBondContact O-CB 3.45Å; N463-A466 PolarHBondContact O-N 3.34Å; N463-K467 VanDerWaalsContact O-CG 3.31Å; N463-K467 WeakPolarHBondContact O-CG 3.21Å; N463-K467 PolarHBondContact O-N 2.94Å
464	D	78.3	Confident	69.8	Low	85 Å²	85	72.2 Å²	72.2	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-72.4	-37	176.7	-66.6	-20.2	0	0	0	112.1	E460 M461 M462 K467 S468	E460-D464 PolarHBondContact O-N 3.28Å; M461-D464 PolarHBondContact O-N 3.4Å; M462-D464 VanDerWaalsContact C-N 3.26Å; M462-D464 PolarHBondContact O-N 2.71Å; D464-K467 PolarHBondContact O-N 3.41Å; D464-K467 IonicContact OD1-NZ 2.64Å; D464-K467 PolarHBondContact OD1-NZ 3.47Å; D464-S468 WeakPolarHBondContact O-CB 3.39Å; D464-S468 PolarHBondContact O-N 3.31Å
465	I	75.3	Confident	67.3	Low	93 Å²	93	75.4 Å²	75.4	48%	0.477	42%	0.424	S	S	.	.	H	α-helix	trans	-59.9	-46.9	167.8	-67.5	162	0	0	0	110	M461 M462 K467 S468 V469	M461-I465 HydrophobicContact CG-CD1 4.07Å; M461-I465 WeakPolarHBondContact O-CD1 3.45Å; M461-I465 VanDerWaalsContact O-CG1 3.22Å; M461-I465 WeakPolarHBondContact O-CG1 3.34Å; M461-I465 PolarHBondContact O-N 2.91Å; M462-I465 PolarHBondContact O-N 2.9Å; I465-K467 VanDerWaalsContact C-N 3.34Å; I465-K467 PolarHBondContact O-N 2.99Å; I465-S468 WeakPolarHBondContact CA-OG 3.3Å; I465-S468 PolarHBondContact O-N 2.93Å; I465-S468 VanDerWaalsContact O-N 3.08Å; I465-S468 PolarHBondContact O-OG 3.44Å; I465-V469 HydrophobicContact CG2-CG2 4.26Å; I465-V469 WeakPolarHBondContact O-CG2 3.15Å; I465-V469 PolarHBondContact O-N 2.63Å
466	A	72	Confident	64.9	Low	23 Å²	23	82 Å²	82	19%	0.19	46%	0.46	C	S	.	.	H	α-helix	trans	-60.4	-41	179.1	0	0	0	0	0	112.5	M462 N463 V469 S470 P523	M462-A466 WeakPolarHBondContact O-CB 3.41Å; M462-A466 PolarHBondContact O-N 3.5Å; N463-A466 WeakPolarHBondContact O-CB 3.45Å; N463-A466 PolarHBondContact O-N 3.34Å; A466-V469 PolarHBondContact O-N 3.26Å; A466-S470 WeakPolarHBondContact O-CB 3.23Å; A466-S470 PolarHBondContact O-N 3.22Å; A466-S470 PolarHBondContact O-OG 2.95Å; A466-P523 HydrophobicContact CB-CG 3.78Å
467	K	72.9	Confident	62.6	Low	96 Å²	96	88.5 Å²	88.5	42%	0.417	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-43.4	171.8	-70.5	170.7	-157.5	152.3	0	111.6	N463 D464 I465 V469 S470 M471	N463-K467 VanDerWaalsContact O-CG 3.31Å; N463-K467 WeakPolarHBondContact O-CG 3.21Å; N463-K467 PolarHBondContact O-N 2.94Å; D464-K467 PolarHBondContact O-N 3.41Å; D464-K467 IonicContact OD1-NZ 2.64Å; D464-K467 PolarHBondContact OD1-NZ 3.47Å; I465-K467 VanDerWaalsContact C-N 3.34Å; I465-K467 PolarHBondContact O-N 2.99Å; K467-V469 VanDerWaalsContact C-N 3.29Å; K467-V469 PolarHBondContact O-N 2.73Å; K467-S470 WeakPolarHBondContact CA-OG 3.47Å; K467-S470 PolarHBondContact O-N 3.39Å; K467-S470 PolarHBondContact O-OG 3.31Å; K467-S470 VanDerWaalsContact O-OG 3.13Å; K467-M471 VanDerWaalsContact O-CG 3.23Å; K467-M471 WeakPolarHBondContact O-CG 3.45Å; K467-M471 PolarHBondContact O-N 2.88Å; K467-M471 VanDerWaalsContact O-N 3.08Å
468	S	71.9	Confident	60	Low	77 Å²	77	91.4 Å²	91.4	54%	0.538	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-34.2	179.6	74.5	0	0	0	0	112.8	D464 I465	D464-S468 WeakPolarHBondContact O-CB 3.39Å; D464-S468 PolarHBondContact O-N 3.31Å; I465-S468 WeakPolarHBondContact CA-OG 3.3Å; I465-S468 PolarHBondContact O-N 2.93Å; I465-S468 VanDerWaalsContact O-N 3.08Å; I465-S468 PolarHBondContact O-OG 3.44Å
469	V	68.3	Low	57.9	Low	117 Å²	117	94.8 Å²	94.8	71%	0.709	55%	0.547	S	S	*	.	H	α-helix	trans	-78.3	-32.9	177.9	175.2	0	0	0	0	111.9	I465 A466 K467 M471	I465-V469 HydrophobicContact CG2-CG2 4.26Å; I465-V469 WeakPolarHBondContact O-CG2 3.15Å; I465-V469 PolarHBondContact O-N 2.63Å; A466-V469 PolarHBondContact O-N 3.26Å; K467-V469 VanDerWaalsContact C-N 3.29Å; K467-V469 PolarHBondContact O-N 2.73Å; V469-M471 VanDerWaalsContact C-N 3.34Å
470	S	59.9	Low	55.4	Low	87 Å²	87	101.6 Å²	101.6	61%	0.608	58%	0.583	S	S	*	*	H	α-helix	trans	-80.5	-12.3	177.5	51.4	0	0	0	0	113.9	A466 K467 P472	A466-S470 WeakPolarHBondContact O-CB 3.23Å; A466-S470 PolarHBondContact O-N 3.22Å; A466-S470 PolarHBondContact O-OG 2.95Å; K467-S470 WeakPolarHBondContact CA-OG 3.47Å; K467-S470 PolarHBondContact O-N 3.39Å; K467-S470 PolarHBondContact O-OG 3.31Å; K467-S470 VanDerWaalsContact O-OG 3.13Å; S470-P472 WeakPolarHBondContact O-CD 3.21Å
471	M	39.5	Very low	53.2	Low	134 Å²	134	108.7 Å²	108.7	66%	0.66	61%	0.613	S	S	*	*	S	Bend	trans	-76.3	110.4	171.5	-72.4	-71.2	173.6	0	0	109.7	K467 V469 V473	K467-M471 VanDerWaalsContact O-CG 3.23Å; K467-M471 WeakPolarHBondContact O-CG 3.45Å; K467-M471 PolarHBondContact O-N 2.88Å; K467-M471 VanDerWaalsContact O-N 3.08Å; V469-M471 VanDerWaalsContact C-N 3.34Å; M471-V473 PolarHBondContact O-N 3.33Å
472	P	41	Very low	50.7	Low	105 Å²	105	109.5 Å²	109.5	68%	0.682	62%	0.615	S	S	*	*			trans	-63.7	129.5	175.3	26.6	-31.4	0	0	0	108.7	S470 N474	S470-P472 WeakPolarHBondContact O-CD 3.21Å; P472-N474 PolarHBondContact O-N 2.76Å
473	V	40.8	Very low	48.4	Very low	132 Å²	132	116.4 Å²	116.4	80%	0.8	64%	0.644	S	S	*	*			trans	-61.4	87.9	174.1	-179.2	0	0	0	0	108.5	M471 S475	M471-V473 PolarHBondContact O-N 3.33Å; V473-S475 PolarHBondContact O-N 3.47Å
474	N	38.4	Very low	46.3	Very low	157 Å²	157	123.4 Å²	123.4	84%	0.84	68%	0.676	S	S	*	*			trans	-72.9	82.3	162.6	-101.3	1.9	0	0	0	107.3	P472 N476	P472-N474 PolarHBondContact O-N 2.76Å; N474-N476 VanDerWaalsContact C-N 3.31Å; N474-N476 PolarHBondContact O-N 3.06Å
475	S	34.2	Very low	43.8	Very low	94 Å²	94	127.5 Å²	127.5	66%	0.657	69%	0.692	S	S	*	*			trans	-64.6	95.7	159.5	44.2	0	0	0	0	107.6	V473	V473-S475 PolarHBondContact O-N 3.47Å
476	N	32.6	Very low	41.6	Very low	142 Å²	142	132.3 Å²	132.3	76%	0.759	71%	0.712	S	S	*	*			trans	176.5	101.3	149.3	-88.1	-21.3	0	0	0	107.8	N474	N474-N476 VanDerWaalsContact C-N 3.31Å; N474-N476 PolarHBondContact O-N 3.06Å
477	N	33.4	Very low	39.4	Very low	152 Å²	152	138 Å²	138	81%	0.813	74%	0.739	S	S	*	*			trans	168.3	92.8	130.4	-80.5	-17.8	0	0	0	109.1
478	S	27.7	Very low	37.3	Very low	116 Å²	116	139.2 Å²	139.2	81%	0.811	76%	0.76	S	S	*	*			trans	-53.7	133.4	143.3	-48	0	0	0	0	107.9
479	P	37.7	Very low	35.1	Very low	116 Å²	116	144.5 Å²	144.5	75%	0.753	78%	0.776	S	S	*	*				-137.2	139.9	108.9	32	-18	0	0	0	112.8	K481	P479-K481 PolarHBondContact O-N 2.95Å
480	D	28.9	Very low	33.2	Very low	149 Å²	149	143.1 Å²	143.1	80%	0.797	78%	0.778	S	S	*	*			trans	-42.2	123.6	170.8	-56.2	-65.1	0	0	0	113.3
481	K	35.2	Very low	31.7	Very low	210 Å²	210	146.9 Å²	146.9	91%	0.913	79%	0.789	S	S	*	*			trans	-138.2	115	142.8	-75.9	-163.5	177.3	177.4	0	109.7	P479	P479-K481 PolarHBondContact O-N 2.95Å
482	E	26.9	Very low	31	Very low	145 Å²	145	145.8 Å²	145.8	68%	0.678	79%	0.79	S	S	*	*			trans	-66.4	152.9	-178.5	-49.4	177.4	150.1	0	0	112.9
483	K	26.8	Very low	30.5	Very low	168 Å²	168	145.3 Å²	145.3	73%	0.73	79%	0.794	S	S	*	*			trans	69.8	122.5	153.7	-62.2	148.1	-176.5	160.2	0	113.6
484	E	30.5	Very low	29.6	Very low	194 Å²	194	147.1 Å²	147.1	91%	0.907	79%	0.794	S	S	*	*				-149	140.7	64.8	-78	164.6	169.9	0	0	112
485	H	25.6	Very low	29.2	Very low	171 Å²	171	145.6 Å²	145.6	79%	0.792	80%	0.796	S	S	*	*			trans	-69.1	134.3	170.4	-81.9	-88.4	0	0	0	110.7
486	E	30.1	Very low	28.5	Very low	194 Å²	194	148.4 Å²	148.4	91%	0.907	80%	0.803	S	S	*	*			trans	-150.8	121.5	141.5	-112	171.3	-155.8	0	0	110.1
487	N	24.5	Very low	28.4	Very low	141 Å²	141	147.3 Å²	147.3	75%	0.754	81%	0.807	S	S	*	*			trans	-67.5	137.2	-173	-68.3	-32.4	0	0	0	111.4
488	S	29.8	Very low	27.9	Very low	123 Å²	123	144.7 Å²	144.7	86%	0.86	80%	0.8	S	S	*	*			trans	-137.8	108.6	154.6	-70.3	0	0	0	0	107.7	A490	S488-A490 PolarHBondContact O-N 3.46Å
489	E	25.8	Very low	27.9	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	80%	0.804	S	S	*	*			trans	-61	118.1	-168.9	-65.5	165.5	153.3	0	0	111.2
490	A	27.6	Very low	27.2	Very low	89 Å²	89	147.8 Å²	147.8	74%	0.736	80%	0.804	S	S	*	*			trans	-79	118.3	167.9	0	0	0	0	0	108.9	S488 V492	S488-A490 PolarHBondContact O-N 3.46Å; A490-V492 PolarHBondContact O-N 3.36Å; A490-V492 VanDerWaalsContact O-N 3.14Å
491	I	28.8	Very low	27	Very low	165 Å²	165	148.4 Å²	148.4	85%	0.846	81%	0.808	S	S	*	*			trans	-67.6	107.1	174.1	-65.9	167.9	0	0	0	108
492	V	25.1	Very low	26.7	Very low	112 Å²	112	146.2 Å²	146.2	68%	0.679	81%	0.805	S	S	*	*			trans	-81.2	118.4	169.1	-176.1	0	0	0	0	107.7	A490 E494	A490-V492 PolarHBondContact O-N 3.36Å; A490-V492 VanDerWaalsContact O-N 3.14Å; V492-E494 HydrophobicContact CG1-CG 3.88Å
493	A	29.5	Very low	26.5	Very low	94 Å²	94	147.5 Å²	147.5	78%	0.777	81%	0.811	S	S	*	*			trans	-130.9	83	160.1	0	0	0	0	0	107.7
494	E	23	Very low	26.4	Very low	171 Å²	171	146.9 Å²	146.9	80%	0.799	82%	0.816	S	S	*	*			trans	-63.7	135.5	158.8	-68.8	170.5	163.5	0	0	109.2	V492	V492-E494 HydrophobicContact CG1-CG 3.88Å
495	S	28.7	Very low	26.2	Very low	125 Å²	125	146.5 Å²	146.5	87%	0.874	81%	0.811	S	S	*	*			trans	-152.3	113.3	137.5	-35.2	0	0	0	0	109.3
496	D	21.1	Very low	26.1	Very low	152 Å²	152	142.9 Å²	142.9	81%	0.813	81%	0.805	S	S	*	*			trans	-65.3	135	177.1	-144.4	-6.2	0	0	0	112
497	S	29.5	Very low	25.8	Very low	119 Å²	119	139.8 Å²	139.8	83%	0.832	80%	0.799	S	S	*	*			trans	-149.2	82.1	151.1	62.6	0	0	0	0	109.8
498	S	22.8	Very low	25.9	Very low	97 Å²	97	138 Å²	138	68%	0.678	79%	0.794	S	S	*	*			trans	-49.4	124.7	158	50.8	0	0	0	0	112.4
499	E	27.5	Very low	25.7	Very low	188 Å²	188	137.3 Å²	137.3	88%	0.879	79%	0.789	S	S	*	*			trans	-159.7	104.8	145.5	-111.4	170.4	-157.1	0	0	111.9
500	S	24.4	Very low	25.7	Very low	110 Å²	110	134.9 Å²	134.9	77%	0.769	78%	0.782	S	S	*	*			trans	35.6	111.9	146.8	57	0	0	0	0	122.1
501	N	24.6	Very low	26.1	Very low	162 Å²	162	135.5 Å²	135.5	87%	0.866	77%	0.772	S	S	*	*			trans	-19.4	121	140	-81	-29	0	0	0	116.1
502	L	27.5	Very low	26.1	Very low	163 Å²	163	131.3 Å²	131.3	85%	0.853	76%	0.762	S	S	*	*			trans	-151.7	82.8	140.3	-86.6	177.5	0	0	0	109.3	D504	L502-D504 PolarHBondContact O-N 3.33Å
503	Q	24.4	Very low	26.8	Very low	173 Å²	173	128 Å²	128	81%	0.808	74%	0.74	S	S	*	*				26.1	78.7	127	-153.2	161.7	9.7	0	0	118.1
504	D	24.8	Very low	27	Very low	154 Å²	154	131.4 Å²	131.4	82%	0.824	74%	0.74	S	S	*	*			trans	-112.7	94.3	150.2	-97.1	-29	0	0	0	108.8	L502 S506	L502-D504 PolarHBondContact O-N 3.33Å; D504-S506 PolarHBondContact O-N 3.18Å
505	K	25.2	Very low	27.4	Very low	187 Å²	187	127.6 Å²	127.6	81%	0.813	73%	0.73	S	S	*	*			trans	-78.2	63.9	173.2	-145.5	177.4	-168.7	-179.6	0	107.4	T507	K505-T507 PolarHBondContact O-N 3.44Å
506	S	23.8	Very low	27.8	Very low	94 Å²	94	122.6 Å²	122.6	66%	0.657	70%	0.699	S	S	*	*			trans	-66.2	106.4	164.2	54.1	0	0	0	0	106	D504 T508	D504-S506 PolarHBondContact O-N 3.18Å; S506-T508 PolarHBondContact O-N 3.49Å
507	T	24.1	Very low	28.9	Very low	129 Å²	129	121.6 Å²	121.6	79%	0.791	70%	0.7	S	S	*	*			trans	-62.7	85.6	172.1	45.9	0	0	0	0	107.5	K505 S509	K505-T507 PolarHBondContact O-N 3.44Å; T507-S509 PolarHBondContact O-N 2.99Å
508	T	25.4	Very low	29.3	Very low	105 Å²	105	121.5 Å²	121.5	64%	0.644	69%	0.69	S	S	*	*			trans	-60.7	100	157.2	51.7	0	0	0	0	104.7	S506 D510	S506-T508 PolarHBondContact O-N 3.49Å; T508-D510 PolarHBondContact O-N 2.95Å
509	S	26	Very low	30.1	Very low	108 Å²	108	118.4 Å²	118.4	76%	0.755	67%	0.665	S	S	*	*			trans	-63.4	74.8	163.9	51.5	0	0	0	0	106.9	T507 L511	T507-S509 PolarHBondContact O-N 2.99Å; S509-L511 PolarHBondContact O-N 3.3Å
510	D	26.7	Very low	30.8	Very low	136 Å²	136	111.1 Å²	111.1	73%	0.727	64%	0.635	S	S	*	*			trans	-56.7	111.3	167.3	-97.9	-25.5	0	0	0	105	T508 A512	T508-D510 PolarHBondContact O-N 2.95Å; D510-A512 PolarHBondContact O-N 3.28Å
511	L	34.8	Very low	31.7	Very low	102 Å²	102	114.4 Å²	114.4	53%	0.534	64%	0.643	S	S	.	*			trans	-60.2	78.7	169.4	-69.6	164.6	0	0	0	107.2	S509 I513	S509-L511 PolarHBondContact O-N 3.3Å; L511-I513 PolarHBondContact O-N 2.96Å
512	A	29.8	Very low	32.7	Very low	77 Å²	77	107.7 Å²	107.7	64%	0.636	61%	0.611	S	S	*	*			trans	-66.7	86.9	168.5	0	0	0	0	0	105.9	D510 Q514	D510-A512 PolarHBondContact O-N 3.28Å; A512-Q514 PolarHBondContact O-N 3.32Å
513	I	40.3	Very low	33.6	Very low	41 Å²	41	103.1 Å²	103.1	21%	0.21	59%	0.591	C	S	.	*			trans	-49.4	107.8	164.3	-66	164.2	0	0	0	105.4	L511 H527 L538	L511-I513 PolarHBondContact O-N 2.96Å; I513-H527 VanDerWaalsContact CB-CE1 3.4Å; I513-H527 WeakPolarHBondContact CB-CE1 3.48Å; I513-H527 PolarHBondContact O-CE1 2.9Å; I513-H527 PolarHBondContact O-NE2 2.8Å; I513-L538 HydrophobicContact CD1-CB 4.41Å
514	Q	32	Very low	34.7	Very low	167 Å²	167	95.5 Å²	95.5	78%	0.78	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-66.3	130	-174.2	-69.1	-178.7	-2.9	0	0	108.5	A512 G516	A512-Q514 PolarHBondContact O-N 3.32Å; Q514-G516 PolarHBondContact O-N 2.97Å
515	P	31.8	Very low	36	Very low	91 Å²	91	89.2 Å²	89.2	59%	0.591	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-60.6	126.3	174.2	23.6	-30.1	0	0	0	108.9	M519	P515-M519 HydrophobicContact CB-CB 4.26Å; P515-M519 HydrophobicContact CB-CE 3.51Å
516	G	37.9	Very low	37.5	Very low	20 Å²	20	86 Å²	86	21%	0.206	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-60.8	160.7	-179.5	0	0	0	0	0	112.1	Q514 N518 M519	Q514-G516 PolarHBondContact O-N 2.97Å; G516-N518 PolarHBondContact O-N 3.32Å; G516-M519 WeakPolarHBondContact O-CB 3.12Å; G516-M519 PolarHBondContact O-N 3.39Å
517	P	42.7	Very low	39.2	Very low	130 Å²	130	84 Å²	84	84%	0.844	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.7	-172.5	24.3	-33.8	0	0	0	114.5
518	N	39.6	Very low	41.1	Very low	118 Å²	118	80.1 Å²	80.1	63%	0.631	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	5.5	-179.6	-63.2	-19.3	0	0	0	113.6	G516 S520	G516-N518 PolarHBondContact O-N 3.32Å; N518-S520 PolarHBondContact O-N 3.47Å
519	M	38.7	Very low	43.5	Very low	31 Å²	31	77.8 Å²	77.8	15%	0.153	46%	0.463	C	S	.	.			trans	-76.2	109	173.1	-149.1	118	80.4	0	0	107.4	P515 G516 L521 D525 W530	P515-M519 HydrophobicContact CB-CB 4.26Å; P515-M519 HydrophobicContact CB-CE 3.51Å; G516-M519 WeakPolarHBondContact O-CB 3.12Å; G516-M519 PolarHBondContact O-N 3.39Å; M519-L521 PolarHBondContact O-N 2.75Å; M519-D525 HydrophobicContact CG-CB 3.73Å; M519-D525 HydrophobicContact SD-CB 4.19Å; M519-W530 HydrophobicContact CE-CZ2 4.29Å
520	S	42.6	Very low	46.3	Very low	35 Å²	35	73 Å²	73	25%	0.245	43%	0.428	C	S	.	.			trans	-55.1	139.7	171.2	52	0	0	0	0	107.8	N518 A522 A759	N518-S520 PolarHBondContact O-N 3.47Å; S520-A522 PolarHBondContact O-N 2.88Å; S520-A759 WeakPolarHBondContact CB-O 3.5Å; S520-A759 PolarHBondContact OG-O 2.95Å
521	L	42.6	Very low	49.3	Very low	179 Å²	179	66.7 Å²	66.7	94%	0.937	39%	0.394	S	S	*	.			trans	-67.9	31.8	-176.6	-117.5	79	0	0	0	113.1	M519 P523	M519-L521 PolarHBondContact O-N 2.75Å; L521-P523 WeakPolarHBondContact O-CD 3.5Å
522	A	45.8	Very low	51.9	Low	22 Å²	22	63.1 Å²	63.1	18%	0.182	38%	0.377	C	S	.	.			trans	-64.5	125.4	172.3	0	0	0	0	0	108.1	S520 A524 D525 A759	S520-A522 PolarHBondContact O-N 2.88Å; A522-A524 HydrophobicContact CB-CB 4.44Å; A522-A524 PolarHBondContact O-N 3.38Å; A522-D525 PolarHBondContact O-N 3.38Å; A522-A759 HydrophobicContact CB-CB 3.67Å
523	P	45.8	Very low	54.9	Low	67 Å²	67	59.5 Å²	59.5	44%	0.435	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-54.3	-19.3	174.5	-27.8	37.1	0	0	0	113.1	A466 L521 D525 L526	A466-P523 HydrophobicContact CB-CG 3.78Å; L521-P523 WeakPolarHBondContact O-CD 3.5Å; P523-D525 VanDerWaalsContact C-N 3.26Å; P523-D525 PolarHBondContact O-N 3.08Å; P523-L526 WeakPolarHBondContact O-CB 3.5Å; P523-L526 PolarHBondContact O-N 3.49Å
524	A	48.4	Very low	57.4	Low	13 Å²	13	57.5 Å²	57.5	11%	0.107	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-65.9	-19.6	173.8	0	0	0	0	0	116	L459 M462 A522 L526 M529	L459-A524 HydrophobicContact CD2-CB 4.38Å; M462-A524 HydrophobicContact CE-CB 3.33Å; M462-A524 WeakPolarHBondContact SD-CA 3.47Å; M462-A524 HydrophobicContact SD-CB 4.08Å; A522-A524 HydrophobicContact CB-CB 4.44Å; A522-A524 PolarHBondContact O-N 3.38Å; A524-L526 VanDerWaalsContact C-N 3.33Å; A524-M529 WeakPolarHBondContact O-CB 3.38Å
525	D	52.6	Low	60.1	Low	21 Å²	21	55.9 Å²	55.9	11%	0.112	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-94.1	6.8	178.5	-65.4	-17	0	0	0	112.2	M519 A522 P523 H527 K590	M519-D525 HydrophobicContact CG-CB 3.73Å; M519-D525 HydrophobicContact SD-CB 4.19Å; A522-D525 PolarHBondContact O-N 3.38Å; P523-D525 VanDerWaalsContact C-N 3.26Å; P523-D525 PolarHBondContact O-N 3.08Å; D525-H527 PolarHBondContact O-N 3.17Å; D525-K590 IonicContact OD1-NZ 3.7Å; D525-K590 PolarHBondContact OD1-NZ 2.75Å
526	L	56.5	Low	62.9	Low	120 Å²	120	55.2 Å²	55.2	63%	0.628	31%	0.309	S	S	*	.	S	Bend	trans	-59.9	132.1	161.4	-105.6	70.4	0	0	0	109.7	P523 A524 G528 M529	P523-L526 WeakPolarHBondContact O-CB 3.5Å; P523-L526 PolarHBondContact O-N 3.49Å; A524-L526 VanDerWaalsContact C-N 3.33Å; L526-G528 PolarHBondContact O-N 3.29Å; L526-M529 PolarHBondContact O-N 3.47Å
527	H	59.3	Low	65.5	Low	52 Å²	52	54.2 Å²	54.2	24%	0.241	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-40.1	-29.4	177.1	-74.3	-76.8	0	0	0	116	I513 D525 M529 W530	I513-H527 VanDerWaalsContact CB-CE1 3.4Å; I513-H527 WeakPolarHBondContact CB-CE1 3.48Å; I513-H527 PolarHBondContact O-CE1 2.9Å; I513-H527 PolarHBondContact O-NE2 2.8Å; D525-H527 PolarHBondContact O-N 3.17Å; H527-M529 PolarHBondContact O-N 3.16Å; H527-W530 AromaticContact CE1-CH2 3.08Å; H527-W530 WeakPolarHBondContact CE1-CH2 3.27Å; H527-W530 AromaticContact CE1-CZ2 3.74Å; H527-W530 AromaticContact CE1-CZ3 3.47Å; H527-W530 VanDerWaalsContact CE1-CZ3 3.47Å; H527-W530 WeakPolarHBondContact CE1-CZ3 3.34Å; H527-W530 AromaticContact ND1-CE3 3.69Å; H527-W530 AromaticContact ND1-CH2 3.15Å; H527-W530 WeakPolarHBondContact ND1-CH2 3.33Å; H527-W530 AromaticContact ND1-CZ2 3.73Å; H527-W530 AromaticContact ND1-CZ3 3.1Å; H527-W530 WeakPolarHBondContact ND1-CZ3 3.48Å
528	G	63.8	Low	67.6	Low	47 Å²	47	48.1 Å²	48.1	49%	0.485	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.6	179.5	0	0	0	0	0	114.8	L526	L526-G528 PolarHBondContact O-N 3.29Å
529	M	75.1	Confident	69.9	Low	57 Å²	57	45.1 Å²	45.1	28%	0.281	25%	0.245	S	C	.	.	S	Bend	trans	-96.7	-16.9	-173	-65.8	-70.2	106.3	0	0	114	Y455 K458 M462 A524 L526 H527	Y455-M529 PolarHBondContact OH-O 2.91Å; K458-M529 HydrophobicContact CD-SD 4.32Å; K458-M529 WeakPolarHBondContact CE-SD 3.09Å; K458-M529 HydrophobicContact CG-SD 4.13Å; K458-M529 PolarHBondContact NZ-O 3.34Å; K458-M529 VanDerWaalsContact NZ-O 3.09Å; M462-M529 HydrophobicContact CE-CB 4.08Å; M462-M529 HydrophobicContact CE-CG 3.49Å; M462-M529 VanDerWaalsContact CE-CG 3.49Å; M462-M529 HydrophobicContact CE-SD 3.57Å; M462-M529 VanDerWaalsContact CE-SD 3.57Å; M462-M529 HydrophobicContact SD-CG 3.45Å; M462-M529 WeakPolarHBondContact SD-CG 3.1Å; M462-M529 HydrophobicContact SD-SD 3.63Å; M462-M529 VanDerWaalsContact SD-SD 3.63Å; A524-M529 WeakPolarHBondContact O-CB 3.38Å; L526-M529 PolarHBondContact O-N 3.47Å; H527-M529 PolarHBondContact O-N 3.16Å
530	W	84.7	Confident	72.3	Confident	8 Å²	8	44 Å²	44	3%	0.03	24%	0.24	C	C	.	.	S	Bend	trans	-57.3	143.6	178.9	-62.2	-7.9	0	0	0	111.4	M519 H527 L538 I594 Q598	M519-W530 HydrophobicContact CE-CZ2 4.29Å; H527-W530 AromaticContact CE1-CH2 3.08Å; H527-W530 WeakPolarHBondContact CE1-CH2 3.27Å; H527-W530 AromaticContact CE1-CZ2 3.74Å; H527-W530 AromaticContact CE1-CZ3 3.47Å; H527-W530 VanDerWaalsContact CE1-CZ3 3.47Å; H527-W530 WeakPolarHBondContact CE1-CZ3 3.34Å; H527-W530 AromaticContact ND1-CE3 3.69Å; H527-W530 AromaticContact ND1-CH2 3.15Å; H527-W530 WeakPolarHBondContact ND1-CH2 3.33Å; H527-W530 AromaticContact ND1-CZ2 3.73Å; H527-W530 AromaticContact ND1-CZ3 3.1Å; H527-W530 WeakPolarHBondContact ND1-CZ3 3.48Å; W530-L538 HydrophobicContact CE3-CD1 4.02Å; W530-L538 HydrophobicContact CH2-CD1 4.07Å; W530-L538 HydrophobicContact CZ3-CD1 3.44Å; W530-L538 VanDerWaalsContact CZ3-CD1 3.44Å; W530-I594 HydrophobicContact CD2-CG2 4.24Å; W530-I594 HydrophobicContact CH2-CG2 4.48Å; W530-I594 HydrophobicContact CZ2-CG2 4.04Å; W530-Q598 HydrophobicContact CH2-CG 3.98Å
531	Y	90.2	Very high	74.5	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.008	23%	0.229	C	C	.	.			trans	-55.6	135.3	172	-174.6	-112.3	0	0	0	110.5	F446 P448 D452 T533 V534 R535 L568 A571 F587 H591	F446-Y531 HydrophobicContact CD1-CE1 4.45Å; F446-Y531 WeakPolarHBondContact CD1-OH 3.25Å; F446-Y531 HydrophobicContact CE1-CE2 4.3Å; F446-Y531 AromaticContact CE1-CZ 3.89Å; P448-Y531 HydrophobicContact CB-CE2 4.39Å; D452-Y531 HydrophobicContact CB-CE2 4.15Å; Y531-T533 HydrophobicContact CD1-CG2 4.33Å; Y531-T533 WeakPolarHBondContact CD1-OG1 3.31Å; Y531-T533 HydrophobicContact CE1-CG2 3.77Å; Y531-T533 WeakPolarHBondContact CE1-OG1 3.22Å; Y531-T533 PolarHBondContact O-N 3.35Å; Y531-T533 VanDerWaalsContact O-N 3.07Å; Y531-V534 WeakPolarHBondContact O-CB 3.37Å; Y531-V534 PolarHBondContact O-N 2.93Å; Y531-R535 PolarHBondContact O-N 3Å; Y531-L568 HydrophobicContact CD1-CD2 3.67Å; Y531-L568 HydrophobicContact CE1-CD2 4.3Å; Y531-L568 HydrophobicContact CG-CD2 4.35Å; Y531-A571 HydrophobicContact CE1-CB 4.07Å; Y531-A571 HydrophobicContact CE2-CB 4.15Å; Y531-F587 HydrophobicContact CD1-CZ 4.26Å; Y531-F587 HydrophobicContact CD2-CE2 4.12Å; Y531-F587 AromaticContact CD2-CZ 3.8Å; Y531-F587 HydrophobicContact CD2-CZ 3.8Å; Y531-F587 HydrophobicContact CE2-CZ 4.34Å; Y531-F587 HydrophobicContact CG-CE2 4.25Å; Y531-F587 AromaticContact CG-CZ 3.77Å; Y531-F587 HydrophobicContact CG-CZ 3.77Å; Y531-H591 WeakPolarHBondContact CB-NE2 3.28Å; Y531-H591 PolarHBondContact N-NE2 3.29Å
532	P	90.6	Very high	76.6	Confident	28 Å²	28	34.7 Å²	34.7	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-54.3	-36.3	-168.2	-30.9	36.3	0	0	0	114.8	F446 D452 R535 R536	F446-P532 HydrophobicContact CE1-CB 4.21Å; F446-P532 HydrophobicContact CE1-CG 4.29Å; F446-P532 HydrophobicContact CE2-CB 4.23Å; F446-P532 HydrophobicContact CZ-CB 3.78Å; F446-P532 HydrophobicContact CZ-CG 3.89Å; D452-P532 VanDerWaalsContact OD1-CG 3.31Å; D452-P532 WeakPolarHBondContact OD1-CG 3.47Å; P532-R535 PolarHBondContact O-N 3.39Å; P532-R536 WeakPolarHBondContact O-CB 3.36Å; P532-R536 WeakPolarHBondContact O-CG 3.36Å; P532-R536 PolarHBondContact O-N 3.48Å
533	T	92.9	Very high	78.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.7	-35.8	-179.2	63.5	0	0	0	0	112.4	F446 Y531 R536 T537 S567	F446-T533 HydrophobicContact CB-CG2 3.56Å; F446-T533 HydrophobicContact CD1-CG2 3.45Å; F446-T533 VanDerWaalsContact CD1-CG2 3.45Å; F446-T533 HydrophobicContact CD2-CG2 4.45Å; F446-T533 HydrophobicContact CE1-CG2 4.26Å; F446-T533 HydrophobicContact CG-CG2 3.56Å; Y531-T533 HydrophobicContact CD1-CG2 4.33Å; Y531-T533 WeakPolarHBondContact CD1-OG1 3.31Å; Y531-T533 HydrophobicContact CE1-CG2 3.77Å; Y531-T533 WeakPolarHBondContact CE1-OG1 3.22Å; Y531-T533 PolarHBondContact O-N 3.35Å; Y531-T533 VanDerWaalsContact O-N 3.07Å; T533-R536 PolarHBondContact O-N 2.93Å; T533-T537 VanDerWaalsContact O-CB 3.27Å; T533-T537 WeakPolarHBondContact O-CB 3.32Å; T533-T537 PolarHBondContact O-N 3.3Å; T533-T537 PolarHBondContact O-OG1 3.03Å; T533-S567 WeakPolarHBondContact CG2-OG 3.42Å
534	V	91.9	Very high	80.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-48.2	174.5	179.3	0	0	0	0	110.2	Y531 R536 T537 L538 L568 H591 I594	Y531-V534 WeakPolarHBondContact O-CB 3.37Å; Y531-V534 PolarHBondContact O-N 2.93Å; V534-R536 PolarHBondContact O-N 2.86Å; V534-T537 PolarHBondContact O-N 3.15Å; V534-L538 HydrophobicContact CG1-CD1 3.95Å; V534-L538 HydrophobicContact CG1-CG 4.43Å; V534-L538 VanDerWaalsContact O-CG 3.3Å; V534-L538 WeakPolarHBondContact O-CG 3.48Å; V534-L538 PolarHBondContact O-N 3.08Å; V534-L568 HydrophobicContact CG2-CD1 4.01Å; V534-L568 HydrophobicContact CG2-CD2 3.8Å; V534-L568 HydrophobicContact CG2-CG 4.27Å; V534-H591 HydrophobicContact CG2-CB 4.31Å; V534-I594 HydrophobicContact CG1-CG2 4.24Å
535	R	89.8	Confident	82.3	Confident	133 Å²	133	33.1 Å²	33.1	50%	0.502	18%	0.176	S	C	.	.	H	α-helix	trans	-59.7	-47.6	177.6	-176.8	177.6	175.9	-176.3	-0.4	111.4	Y531 P532 T537 L538 V539	Y531-R535 PolarHBondContact O-N 3Å; P532-R535 PolarHBondContact O-N 3.39Å; R535-T537 PolarHBondContact O-N 3.13Å; R535-L538 PolarHBondContact O-N 2.87Å; R535-V539 HydrophobicContact CG-CG2 4.47Å; R535-V539 WeakPolarHBondContact O-CG2 3.46Å; R535-V539 PolarHBondContact O-N 2.92Å
536	R	90.5	Very high	83.9	Confident	76 Å²	76	36.8 Å²	36.8	29%	0.287	19%	0.188	S	C	.	.	H	α-helix	trans	-60.7	-44.1	178.3	-72.8	170.9	-179.5	-155.6	-6.3	111.8	Y438 Q442 I443 P532 T533 V534 C540	Y438-R536 WeakPolarHBondContact OH-CB 3.23Å; Q442-R536 PolarHBondContact O-NH1 2.99Å; Q442-R536 VanDerWaalsContact O-NH1 3.1Å; I443-R536 HydrophobicContact CG1-CB 4.36Å; P532-R536 WeakPolarHBondContact O-CB 3.36Å; P532-R536 WeakPolarHBondContact O-CG 3.36Å; P532-R536 PolarHBondContact O-N 3.48Å; T533-R536 PolarHBondContact O-N 2.93Å; V534-R536 PolarHBondContact O-N 2.86Å; R536-C540 WeakPolarHBondContact O-CB 3.42Å; R536-C540 PolarHBondContact O-N 3.08Å
537	T	91	Very high	85.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-51.6	174.7	-71.2	0	0	0	0	111.2	I443 T533 V534 R535 C540 L541 C564 L595	I443-T537 WeakPolarHBondContact CD1-OG1 3.36Å; T533-T537 VanDerWaalsContact O-CB 3.27Å; T533-T537 WeakPolarHBondContact O-CB 3.32Å; T533-T537 PolarHBondContact O-N 3.3Å; T533-T537 PolarHBondContact O-OG1 3.03Å; V534-T537 PolarHBondContact O-N 3.15Å; R535-T537 PolarHBondContact O-N 3.13Å; T537-C540 WeakPolarHBondContact O-CB 3.45Å; T537-C540 PolarHBondContact O-N 2.88Å; T537-L541 HydrophobicContact CG2-CD1 3.77Å; T537-L541 HydrophobicContact CG2-CG 4.4Å; T537-L541 WeakPolarHBondContact O-CB 3.38Å; T537-L541 VanDerWaalsContact O-CG 3.23Å; T537-L541 WeakPolarHBondContact O-CG 3.47Å; T537-L541 PolarHBondContact O-N 3.13Å; T537-C564 HydrophobicContact CG2-CB 4.13Å; T537-C564 WeakPolarHBondContact OG1-CB 3.35Å; T537-L595 HydrophobicContact CG2-CD1 4.18Å
538	L	88.2	Confident	86.7	Confident	2 Å²	2	29 Å²	29	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-66.1	-42.4	-176.5	-66.9	175.3	0	0	0	112.9	I513 W530 V534 R535 L541 S542 L595 Q598 M599	I513-L538 HydrophobicContact CD1-CB 4.41Å; W530-L538 HydrophobicContact CE3-CD1 4.02Å; W530-L538 HydrophobicContact CH2-CD1 4.07Å; W530-L538 HydrophobicContact CZ3-CD1 3.44Å; W530-L538 VanDerWaalsContact CZ3-CD1 3.44Å; V534-L538 HydrophobicContact CG1-CD1 3.95Å; V534-L538 HydrophobicContact CG1-CG 4.43Å; V534-L538 VanDerWaalsContact O-CG 3.3Å; V534-L538 WeakPolarHBondContact O-CG 3.48Å; V534-L538 PolarHBondContact O-N 3.08Å; R535-L538 PolarHBondContact O-N 2.87Å; L538-L541 PolarHBondContact O-N 3.38Å; L538-S542 PolarHBondContact O-N 2.76Å; L538-L595 HydrophobicContact CD2-CD1 4.14Å; L538-Q598 HydrophobicContact CD1-CB 3.66Å; L538-Q598 HydrophobicContact CD1-CG 3.73Å; L538-Q598 HydrophobicContact CD2-CB 3.58Å; L538-Q598 HydrophobicContact CG-CB 4.28Å; L538-M599 HydrophobicContact CD2-CE 3.6Å
539	V	87.3	Confident	87.7	Confident	54 Å²	54	30.3 Å²	30.3	33%	0.327	14%	0.144	S	C	.	.	H	α-helix	trans	-62.7	-45.5	175.1	173	0	0	0	0	110.4	R535 L541 S542 K543	R535-V539 HydrophobicContact CG-CG2 4.47Å; R535-V539 WeakPolarHBondContact O-CG2 3.46Å; R535-V539 PolarHBondContact O-N 2.92Å; V539-L541 PolarHBondContact O-N 3.48Å; V539-S542 PolarHBondContact O-N 2.68Å; V539-S542 PolarHBondContact O-OG 2.83Å; V539-K543 HydrophobicContact CG1-CD 4.45Å; V539-K543 PolarHBondContact O-N 3.33Å; V539-K543 VanDerWaalsContact O-N 3.13Å
540	C	88.6	Confident	88	Confident	7 Å²	7	30.6 Å²	30.6	5%	0.047	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-49.3	176.5	-172.9	0	0	0	0	111.2	Y438 R536 T537 S542 K543 L544	Y438-C540 HydrophobicContact CE1-CB 4.11Å; R536-C540 WeakPolarHBondContact O-CB 3.42Å; R536-C540 PolarHBondContact O-N 3.08Å; T537-C540 WeakPolarHBondContact O-CB 3.45Å; T537-C540 PolarHBondContact O-N 2.88Å; C540-S542 PolarHBondContact O-N 2.9Å; C540-K543 PolarHBondContact O-N 3.39Å; C540-L544 WeakPolarHBondContact O-CB 3.43Å; C540-L544 WeakPolarHBondContact O-CG 3.4Å; C540-L544 PolarHBondContact O-N 2.93Å; C540-L544 WeakPolarHBondContact SG-CD1 3.19Å
541	L	89.1	Confident	87.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-40.9	178.8	-68.6	174.5	0	0	0	112.6	T537 L538 V539 K543 L544 S545 F553 A557 C560 V561 M599 F602	T537-L541 HydrophobicContact CG2-CD1 3.77Å; T537-L541 HydrophobicContact CG2-CG 4.4Å; T537-L541 WeakPolarHBondContact O-CB 3.38Å; T537-L541 VanDerWaalsContact O-CG 3.23Å; T537-L541 WeakPolarHBondContact O-CG 3.47Å; T537-L541 PolarHBondContact O-N 3.13Å; L538-L541 PolarHBondContact O-N 3.38Å; V539-L541 PolarHBondContact O-N 3.48Å; L541-K543 PolarHBondContact O-N 3.31Å; L541-L544 PolarHBondContact O-N 3.38Å; L541-S545 VanDerWaalsContact O-CB 3.32Å; L541-S545 WeakPolarHBondContact O-CB 3.46Å; L541-S545 PolarHBondContact O-N 3.34Å; L541-S545 PolarHBondContact O-OG 3.28Å; L541-F553 HydrophobicContact CD2-CE2 4.14Å; L541-F553 HydrophobicContact CD2-CZ 4.2Å; L541-F553 WeakPolarHBondContact O-CE2 3.13Å; L541-A557 HydrophobicContact CD2-CB 3.5Å; L541-C560 HydrophobicContact CD2-CB 4.05Å; L541-V561 HydrophobicContact CD1-CG2 4.16Å; L541-M599 HydrophobicContact CB-CE 4.49Å; L541-M599 HydrophobicContact CD1-CE 3.32Å; L541-M599 HydrophobicContact CD1-SD 3.8Å; L541-F602 HydrophobicContact CB-CE1 4Å; L541-F602 HydrophobicContact CB-CZ 3.93Å
542	S	85.9	Confident	87.5	Confident	19 Å²	19	38.1 Å²	38.1	13%	0.133	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-45.8	175.5	74	0	0	0	0	112.4	L538 V539 C540 S545	L538-S542 PolarHBondContact O-N 2.76Å; V539-S542 PolarHBondContact O-N 2.68Å; V539-S542 PolarHBondContact O-OG 2.83Å; C540-S542 PolarHBondContact O-N 2.9Å; S542-S545 PolarHBondContact O-OG 2.76Å
543	K	86.8	Confident	87.3	Confident	28 Å²	28	36.9 Å²	36.9	12%	0.122	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-47.6	178.7	-69.5	-176.1	170.1	-136.1	0	111.7	E389 V539 C540 L541 S545 R546 C547	E389-K543 IonicContact OE1-NZ 2.65Å; V539-K543 HydrophobicContact CG1-CD 4.45Å; V539-K543 PolarHBondContact O-N 3.33Å; V539-K543 VanDerWaalsContact O-N 3.13Å; C540-K543 PolarHBondContact O-N 3.39Å; L541-K543 PolarHBondContact O-N 3.31Å; K543-S545 VanDerWaalsContact C-N 3.3Å; K543-S545 PolarHBondContact O-N 2.82Å; K543-R546 PolarHBondContact O-N 3.48Å; K543-C547 PolarHBondContact O-N 3.4Å; K543-C547 PolarHBondContact O-SG 2.84Å
544	L	89.2	Confident	86.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.2	-37.6	-179.1	-67.9	170.3	0	0	0	112.3	L431 A435 C540 L541 R546 C547 L548 F553 L556	L431-L544 HydrophobicContact CD1-CD2 4.3Å; L431-L544 HydrophobicContact CD2-CD2 4.17Å; L431-L544 HydrophobicContact CG-CD2 4.01Å; A435-L544 HydrophobicContact CB-CD1 4.24Å; A435-L544 HydrophobicContact CB-CD2 3.87Å; C540-L544 WeakPolarHBondContact O-CB 3.43Å; C540-L544 WeakPolarHBondContact O-CG 3.4Å; C540-L544 PolarHBondContact O-N 2.93Å; C540-L544 WeakPolarHBondContact SG-CD1 3.19Å; L541-L544 PolarHBondContact O-N 3.38Å; L544-R546 VanDerWaalsContact C-N 3.27Å; L544-R546 PolarHBondContact O-N 3.36Å; L544-C547 PolarHBondContact O-N 3.39Å; L544-L548 HydrophobicContact CB-CD1 4.34Å; L544-L548 HydrophobicContact CD2-CD1 3.96Å; L544-L548 WeakPolarHBondContact O-CB 3.37Å; L544-L548 PolarHBondContact O-N 3.43Å; L544-F553 HydrophobicContact CB-CD2 3.8Å; L544-F553 HydrophobicContact CB-CE2 3.88Å; L544-L556 HydrophobicContact CD1-CD2 3.45Å; L544-L556 VanDerWaalsContact CD1-CD2 3.45Å; L544-L556 HydrophobicContact CD1-CG 4.02Å; L544-L556 HydrophobicContact CD2-CD2 3.82Å; L544-L556 HydrophobicContact CG-CD2 4.19Å
545	S	85.3	Confident	86.4	Confident	42 Å²	42	40.8 Å²	40.8	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-63.4	-29.5	-179.5	70.1	0	0	0	0	113.9	L541 S542 K543	L541-S545 VanDerWaalsContact O-CB 3.32Å; L541-S545 WeakPolarHBondContact O-CB 3.46Å; L541-S545 PolarHBondContact O-N 3.34Å; L541-S545 PolarHBondContact O-OG 3.28Å; S542-S545 PolarHBondContact O-OG 2.76Å; K543-S545 VanDerWaalsContact C-N 3.3Å; K543-S545 PolarHBondContact O-N 2.82Å
546	R	85.6	Confident	86.2	Confident	97 Å²	97	34.9 Å²	34.9	37%	0.366	19%	0.194	S	C	.	.	H	α-helix	trans	-82.6	-35.3	177.1	-59.8	-177.3	-55.7	111.7	5.6	111.7	D392 K395 K543 L544	D392-R546 IonicContact OD1-CZ 3.38Å; D392-R546 IonicContact OD1-NH1 3.68Å; D392-R546 PolarHBondContact OD1-NH1 3.46Å; D392-R546 IonicContact OD1-NH2 3.64Å; D392-R546 IonicContact OD2-CZ 3.36Å; D392-R546 IonicContact OD2-NH1 3Å; D392-R546 PolarHBondContact OD2-NH1 3.01Å; D392-R546 IonicContact OD2-NH2 3.21Å; D392-R546 PolarHBondContact OD2-NH2 3.29Å; K395-R546 PolarHBondContact NZ-O 2.93Å; K543-R546 PolarHBondContact O-N 3.48Å; L544-R546 VanDerWaalsContact C-N 3.27Å; L544-R546 PolarHBondContact O-N 3.36Å
547	C	88.2	Confident	86	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-83.3	-36	-172.6	-62.5	0	0	0	0	113.1	C391 K395 Q428 L431 K543 L544	C391-C547 HydrophobicContact CB-CB 3.96Å; K395-C547 WeakPolarHBondContact CE-O 3.34Å; K395-C547 VanDerWaalsContact NZ-C 3.34Å; K395-C547 PolarHBondContact NZ-O 3.31Å; Q428-C547 PolarHBondContact NE2-O 3.36Å; L431-C547 HydrophobicContact CD2-CB 3.54Å; K543-C547 PolarHBondContact O-N 3.4Å; K543-C547 PolarHBondContact O-SG 2.84Å; L544-C547 PolarHBondContact O-N 3.39Å
548	L	87.1	Confident	85.8	Confident	10 Å²	10	32.4 Å²	32.4	5%	0.052	19%	0.186	C	C	.	.	S	Bend	trans	-102.1	158.6	-171.7	-59	179.7	0	0	0	112.4	Q428 L431 I432 L544 F553 L556	Q428-L548 HydrophobicContact CB-CD2 4.07Å; Q428-L548 HydrophobicContact CG-CD2 4.09Å; L431-L548 HydrophobicContact CD2-CD2 4.2Å; L431-L548 HydrophobicContact CD2-CG 4.5Å; I432-L548 HydrophobicContact CD1-CD2 4.05Å; I432-L548 HydrophobicContact CG1-CD1 3.85Å; I432-L548 HydrophobicContact CG1-CD2 3.81Å; L544-L548 HydrophobicContact CB-CD1 4.34Å; L544-L548 HydrophobicContact CD2-CD1 3.96Å; L544-L548 WeakPolarHBondContact O-CB 3.37Å; L544-L548 PolarHBondContact O-N 3.43Å; L548-F553 HydrophobicContact CB-CB 4.17Å; L548-L556 HydrophobicContact CD1-CD2 4.03Å
549	D	84.4	Confident	85.7	Confident	73 Å²	73	34.2 Å²	34.2	39%	0.39	19%	0.194	S	C	.	.			trans	-69.1	163.2	166.1	64.8	-70	0	0	0	111.3	D551 S552 F553	D549-D551 VanDerWaalsContact C-N 3.29Å; D549-D551 PolarHBondContact O-N 3.36Å; D549-D551 PolarHBondContact OD2-N 3.21Å; D549-S552 WeakPolarHBondContact OD1-CB 3.43Å; D549-S552 PolarHBondContact OD1-OG 3.29Å; D549-S552 PolarHBondContact OD2-N 3.18Å; D549-S552 PolarHBondContact OD2-OG 2.92Å; D549-F553 WeakPolarHBondContact O-CB 3.35Å; D549-F553 PolarHBondContact O-N 2.87Å
550	A	80.8	Confident	85.8	Confident	63 Å²	63	31.7 Å²	31.7	52%	0.521	18%	0.179	S	C	.	.	H	α-helix	trans	-60.4	-37	-174	0	0	0	0	0	112.9	R554	A550-R554 VanDerWaalsContact O-CB 3.26Å; A550-R554 WeakPolarHBondContact O-CB 3.21Å; A550-R554 PolarHBondContact O-N 3.49Å; A550-R554 VanDerWaalsContact O-N 3.07Å
551	D	81.5	Confident	85.9	Confident	121 Å²	121	31.4 Å²	31.4	65%	0.647	18%	0.177	S	C	*	.	H	α-helix	trans	-75.7	-48.1	-175.7	-69.7	-37.3	0	0	0	111.4	D549 F553 R554	D549-D551 VanDerWaalsContact C-N 3.29Å; D549-D551 PolarHBondContact O-N 3.36Å; D549-D551 PolarHBondContact OD2-N 3.21Å; D551-F553 VanDerWaalsContact C-N 3.32Å; D551-F553 PolarHBondContact O-N 2.99Å; D551-R554 PolarHBondContact O-N 3.41Å
552	S	83.2	Confident	85.9	Confident	48 Å²	48	32.3 Å²	32.3	34%	0.336	18%	0.183	S	C	.	.	H	α-helix	trans	-62.3	-39.5	175.4	-55.8	0	0	0	0	112.1	D549	D549-S552 WeakPolarHBondContact OD1-CB 3.43Å; D549-S552 PolarHBondContact OD1-OG 3.29Å; D549-S552 PolarHBondContact OD2-N 3.18Å; D549-S552 PolarHBondContact OD2-OG 2.92Å
553	F	86.6	Confident	86.2	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-42.4	177.1	174.6	-100.2	0	0	0	112.2	L541 L544 L548 D549 D551 G555 L556 A557 F602 I604 F606	L541-F553 HydrophobicContact CD2-CE2 4.14Å; L541-F553 HydrophobicContact CD2-CZ 4.2Å; L541-F553 WeakPolarHBondContact O-CE2 3.13Å; L544-F553 HydrophobicContact CB-CD2 3.8Å; L544-F553 HydrophobicContact CB-CE2 3.88Å; L548-F553 HydrophobicContact CB-CB 4.17Å; D549-F553 WeakPolarHBondContact O-CB 3.35Å; D549-F553 PolarHBondContact O-N 2.87Å; D551-F553 VanDerWaalsContact C-N 3.32Å; D551-F553 PolarHBondContact O-N 2.99Å; F553-G555 PolarHBondContact O-N 3.33Å; F553-L556 PolarHBondContact O-N 2.84Å; F553-A557 HydrophobicContact CD1-CB 4.3Å; F553-A557 HydrophobicContact CE1-CB 3.91Å; F553-A557 HydrophobicContact CE2-CB 4.22Å; F553-A557 HydrophobicContact CZ-CB 3.88Å; F553-A557 WeakPolarHBondContact O-CB 3.27Å; F553-A557 PolarHBondContact O-N 2.81Å; F553-F602 HydrophobicContact CZ-CD1 4.29Å; F553-I604 HydrophobicContact CD1-CD1 3.33Å; F553-I604 HydrophobicContact CD1-CG1 4.48Å; F553-I604 HydrophobicContact CD1-CG2 4.37Å; F553-I604 HydrophobicContact CE1-CB 4.43Å; F553-I604 HydrophobicContact CE1-CD1 3.33Å; F553-I604 HydrophobicContact CE1-CG1 4.44Å; F553-I604 HydrophobicContact CG-CD1 4.38Å; F553-I604 HydrophobicContact CZ-CD1 4.4Å; F553-F606 AromaticContact CE1-CE1 3.85Å; F553-F606 HydrophobicContact CE1-CE1 3.85Å; F553-F606 HydrophobicContact CE1-CZ 4.38Å; F553-F606 HydrophobicContact CZ-CE1 4.44Å
554	R	82.9	Confident	86.5	Confident	54 Å²	54	31.5 Å²	31.5	20%	0.204	18%	0.178	C	C	.	.	H	α-helix	trans	-58.5	-47.2	-174.9	-172.2	-163.4	-163.4	143.5	8.7	112.7	A550 D551 A557 Q558 E605 L607 V608	A550-R554 VanDerWaalsContact O-CB 3.26Å; A550-R554 WeakPolarHBondContact O-CB 3.21Å; A550-R554 PolarHBondContact O-N 3.49Å; A550-R554 VanDerWaalsContact O-N 3.07Å; D551-R554 PolarHBondContact O-N 3.41Å; R554-A557 PolarHBondContact O-N 3.2Å; R554-Q558 PolarHBondContact O-N 3.02Å; R554-Q558 VanDerWaalsContact O-N 3.08Å; R554-E605 VanDerWaalsContact CZ-O 3.23Å; R554-E605 PolarHBondContact NE-O 3.3Å; R554-E605 VanDerWaalsContact NE-O 3.08Å; R554-E605 PolarHBondContact NH2-O 3.09Å; R554-E605 VanDerWaalsContact NH2-O 3.15Å; R554-L607 VanDerWaalsContact NE-N 3.14Å; R554-L607 PolarHBondContact NE-O 3.46Å; R554-L607 VanDerWaalsContact NH2-CA 3.3Å; R554-L607 PolarHBondContact NH2-O 2.91Å; R554-V608 HydrophobicContact CG-CG2 3.73Å
555	G	82.3	Confident	86.6	Confident	28 Å²	28	32 Å²	32	29%	0.289	18%	0.181	S	C	.	.	H	α-helix	trans	-62.7	-48.1	178.2	0	0	0	0	0	112	F553 A557 Q558 E559	F553-G555 PolarHBondContact O-N 3.33Å; G555-A557 VanDerWaalsContact C-N 3.31Å; G555-A557 PolarHBondContact O-N 3.02Å; G555-Q558 PolarHBondContact O-N 3.48Å; G555-Q558 PolarHBondContact O-OE1 3.16Å; G555-E559 PolarHBondContact O-N 3.5Å
556	L	86.6	Confident	87	Confident	9 Å²	9	33.9 Å²	33.9	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-35.7	-179.9	-169.9	62.2	0	0	0	112.4	A435 H436 I439 L544 L548 F553 C560	A435-L556 HydrophobicContact CB-CD1 4.37Å; A435-L556 HydrophobicContact CB-CD2 3.71Å; H436-L556 HydrophobicContact CB-CD1 4.49Å; I439-L556 HydrophobicContact CD1-CD1 3.5Å; I439-L556 VanDerWaalsContact CD1-CD1 3.5Å; I439-L556 HydrophobicContact CD1-CG 3.94Å; L544-L556 HydrophobicContact CD1-CD2 3.45Å; L544-L556 VanDerWaalsContact CD1-CD2 3.45Å; L544-L556 HydrophobicContact CD1-CG 4.02Å; L544-L556 HydrophobicContact CD2-CD2 3.82Å; L544-L556 HydrophobicContact CG-CD2 4.19Å; L548-L556 HydrophobicContact CD1-CD2 4.03Å; F553-L556 PolarHBondContact O-N 2.84Å; L556-C560 VanDerWaalsContact O-CB 3.27Å; L556-C560 WeakPolarHBondContact O-CB 3.46Å; L556-C560 PolarHBondContact O-N 3.44Å
557	A	86.5	Confident	87.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.3	-39.3	179.2	0	0	0	0	0	112.8	L541 F553 R554 G555 E559 C560 V561 F606	L541-A557 HydrophobicContact CD2-CB 3.5Å; F553-A557 HydrophobicContact CD1-CB 4.3Å; F553-A557 HydrophobicContact CE1-CB 3.91Å; F553-A557 HydrophobicContact CE2-CB 4.22Å; F553-A557 HydrophobicContact CZ-CB 3.88Å; F553-A557 WeakPolarHBondContact O-CB 3.27Å; F553-A557 PolarHBondContact O-N 2.81Å; R554-A557 PolarHBondContact O-N 3.2Å; G555-A557 VanDerWaalsContact C-N 3.31Å; G555-A557 PolarHBondContact O-N 3.02Å; A557-E559 VanDerWaalsContact C-N 3.34Å; A557-C560 PolarHBondContact O-N 3.42Å; A557-V561 WeakPolarHBondContact O-CG2 3.49Å; A557-V561 PolarHBondContact O-N 3.3Å; A557-F606 HydrophobicContact CB-CD1 3.83Å; A557-F606 HydrophobicContact CB-CE1 3.38Å; A557-F606 HydrophobicContact CB-CZ 4.47Å
558	Q	85.6	Confident	87.8	Confident	24 Å²	24	29.4 Å²	29.4	11%	0.112	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-45.7	173.4	171.1	-93.6	0.4	0	0	110.9	R554 G555 V561 S562 V608 L657	R554-Q558 PolarHBondContact O-N 3.02Å; R554-Q558 VanDerWaalsContact O-N 3.08Å; G555-Q558 PolarHBondContact O-N 3.48Å; G555-Q558 PolarHBondContact O-OE1 3.16Å; Q558-V561 PolarHBondContact O-N 2.99Å; Q558-S562 WeakPolarHBondContact O-CB 3.17Å; Q558-S562 PolarHBondContact O-N 2.96Å; Q558-V608 HydrophobicContact CB-CG2 4.28Å; Q558-L657 HydrophobicContact CG-CD2 4.44Å
559	E	86.3	Confident	88.1	Confident	40 Å²	40	30.8 Å²	30.8	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-47.1	175.8	-172.6	-172	179	0	0	111.6	H436 G555 A557 V561 S562 M563	H436-E559 IonicContact CE1-OE1 3.9Å; H436-E559 PolarHBondContact CE1-OE1 2.86Å; H436-E559 IonicContact CE1-OE2 3.17Å; H436-E559 PolarHBondContact CE1-OE2 3.03Å; H436-E559 IonicContact CG-OE2 2.65Å; H436-E559 VanDerWaalsContact ND1-CD 3.31Å; H436-E559 IonicContact ND1-OE1 2.69Å; H436-E559 PolarHBondContact ND1-OE1 3.06Å; H436-E559 IonicContact ND1-OE2 3.03Å; H436-E559 PolarHBondContact ND1-OE2 3.21Å; H436-E559 IonicContact NE2-OE1 3.68Å; G555-E559 PolarHBondContact O-N 3.5Å; A557-E559 VanDerWaalsContact C-N 3.34Å; E559-V561 VanDerWaalsContact C-N 3.34Å; E559-V561 PolarHBondContact O-N 3.43Å; E559-S562 PolarHBondContact O-N 2.97Å; E559-M563 HydrophobicContact CG-CG 4.24Å; E559-M563 WeakPolarHBondContact O-CB 3.22Å; E559-M563 VanDerWaalsContact O-CG 3.26Å; E559-M563 WeakPolarHBondContact O-CG 3.49Å; E559-M563 PolarHBondContact O-N 2.9Å
560	C	89.8	Confident	88.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-44.8	-179.7	-167.7	0	0	0	0	112.2	I439 I443 L541 L556 A557 C564	I439-C560 HydrophobicContact CD1-CB 3.76Å; I439-C560 HydrophobicContact CG1-CB 4.11Å; I439-C560 HydrophobicContact CG2-CB 4.48Å; I443-C560 VanDerWaalsContact CD1-SG 3.58Å; L541-C560 HydrophobicContact CD2-CB 4.05Å; L556-C560 VanDerWaalsContact O-CB 3.27Å; L556-C560 WeakPolarHBondContact O-CB 3.46Å; L556-C560 PolarHBondContact O-N 3.44Å; A557-C560 PolarHBondContact O-N 3.42Å; C560-C564 VanDerWaalsContact O-CB 3.31Å; C560-C564 WeakPolarHBondContact O-CB 3.29Å; C560-C564 PolarHBondContact O-N 3.35Å
561	V	89.5	Confident	89.1	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-46.5	177.7	172.3	0	0	0	0	110.9	L541 A557 Q558 E559 M563 C564 V565 L595 M599	L541-V561 HydrophobicContact CD1-CG2 4.16Å; A557-V561 WeakPolarHBondContact O-CG2 3.49Å; A557-V561 PolarHBondContact O-N 3.3Å; Q558-V561 PolarHBondContact O-N 2.99Å; E559-V561 VanDerWaalsContact C-N 3.34Å; E559-V561 PolarHBondContact O-N 3.43Å; V561-M563 VanDerWaalsContact C-N 3.34Å; V561-M563 PolarHBondContact O-N 2.9Å; V561-C564 WeakPolarHBondContact O-CB 3.46Å; V561-C564 PolarHBondContact O-N 3.42Å; V561-V565 HydrophobicContact CG1-CG2 4.43Å; V561-V565 WeakPolarHBondContact O-CG2 3.45Å; V561-V565 PolarHBondContact O-N 3.46Å; V561-L595 HydrophobicContact CG1-CD2 4.28Å; V561-M599 HydrophobicContact CG2-SD 3.91Å
562	S	89.3	Confident	89.7	Confident	18 Å²	18	23.5 Å²	23.5	13%	0.126	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-44.7	178.4	-176.6	0	0	0	0	111.8	Q558 E559 V565 Q566 Q662	Q558-S562 WeakPolarHBondContact O-CB 3.17Å; Q558-S562 PolarHBondContact O-N 2.96Å; E559-S562 PolarHBondContact O-N 2.97Å; S562-V565 PolarHBondContact O-N 3.45Å; S562-Q566 WeakPolarHBondContact O-CG 3.3Å; S562-Q566 PolarHBondContact O-N 3Å; S562-Q662 PolarHBondContact OG-NE2 2.88Å
563	M	92.1	Very high	90.2	Very high	31 Å²	31	25.4 Å²	25.4	15%	0.153	13%	0.133	C	C	.	.	H	α-helix	trans	-66.5	-37.2	176.5	-71.3	-57.8	-144.3	0	0	112.7	I439 I443 F444 E559 V561 Q566 S567	I439-M563 HydrophobicContact CG2-CB 3.93Å; I439-M563 HydrophobicContact CG2-CG 3.94Å; I443-M563 HydrophobicContact CG2-CB 4.33Å; F444-M563 HydrophobicContact CB-CB 4.12Å; F444-M563 HydrophobicContact CB-CE 4.13Å; F444-M563 HydrophobicContact CB-CG 4.24Å; F444-M563 HydrophobicContact CB-SD 3.76Å; F444-M563 HydrophobicContact CD1-CE 4.42Å; F444-M563 HydrophobicContact CD2-CE 4.26Å; F444-M563 HydrophobicContact CD2-SD 3.43Å; F444-M563 WeakPolarHBondContact CD2-SD 3.44Å; F444-M563 HydrophobicContact CE2-SD 4.16Å; F444-M563 HydrophobicContact CG-CE 4.01Å; F444-M563 HydrophobicContact CG-SD 3.67Å; E559-M563 HydrophobicContact CG-CG 4.24Å; E559-M563 WeakPolarHBondContact O-CB 3.22Å; E559-M563 VanDerWaalsContact O-CG 3.26Å; E559-M563 WeakPolarHBondContact O-CG 3.49Å; E559-M563 PolarHBondContact O-N 2.9Å; V561-M563 VanDerWaalsContact C-N 3.34Å; V561-M563 PolarHBondContact O-N 2.9Å; M563-Q566 PolarHBondContact O-N 2.68Å; M563-S567 WeakPolarHBondContact O-CB 3.45Å; M563-S567 PolarHBondContact O-N 3.19Å
564	C	92.8	Very high	90.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-46	173.4	-174.4	0	0	0	0	111.3	I443 T537 C560 V561 Q566 S567 L568 L595	I443-C564 HydrophobicContact CG2-CB 3.95Å; T537-C564 HydrophobicContact CG2-CB 4.13Å; T537-C564 WeakPolarHBondContact OG1-CB 3.35Å; C560-C564 VanDerWaalsContact O-CB 3.31Å; C560-C564 WeakPolarHBondContact O-CB 3.29Å; C560-C564 PolarHBondContact O-N 3.35Å; V561-C564 WeakPolarHBondContact O-CB 3.46Å; V561-C564 PolarHBondContact O-N 3.42Å; C564-Q566 VanDerWaalsContact C-N 3.34Å; C564-Q566 PolarHBondContact O-N 2.87Å; C564-S567 WeakPolarHBondContact O-CB 3.31Å; C564-S567 PolarHBondContact O-N 3.41Å; C564-S567 VanDerWaalsContact O-N 3.16Å; C564-L568 WeakPolarHBondContact O-CG 3.26Å; C564-L568 PolarHBondContact O-N 3.38Å; C564-L595 HydrophobicContact CB-CD2 4.42Å
565	V	93.1	Very high	90.8	Very high	9 Å²	9	26.4 Å²	26.4	6%	0.055	14%	0.141	C	C	.	.	H	α-helix	trans	-59.6	-44.6	177.4	171	0	0	0	0	110.8	V561 S562 S567 L568 V569 L592 L595 L663 Q666	V561-V565 HydrophobicContact CG1-CG2 4.43Å; V561-V565 WeakPolarHBondContact O-CG2 3.45Å; V561-V565 PolarHBondContact O-N 3.46Å; S562-V565 PolarHBondContact O-N 3.45Å; V565-S567 VanDerWaalsContact C-N 3.33Å; V565-S567 PolarHBondContact O-N 2.96Å; V565-L568 WeakPolarHBondContact O-CB 3.34Å; V565-L568 PolarHBondContact O-N 2.88Å; V565-V569 WeakPolarHBondContact O-CG2 3.41Å; V565-V569 PolarHBondContact O-N 3.28Å; V565-L592 HydrophobicContact CG1-CD2 4.29Å; V565-L592 HydrophobicContact CG2-CD2 4Å; V565-L595 HydrophobicContact CG2-CD2 4.06Å; V565-L663 HydrophobicContact CG2-CD1 3.78Å; V565-Q666 HydrophobicContact CG1-CB 4.42Å; V565-Q666 HydrophobicContact CG1-CG 3.81Å
566	Q	93.3	Very high	91.2	Very high	82 Å²	82	26.6 Å²	26.6	38%	0.383	14%	0.138	S	C	.	.	H	α-helix	trans	-62.6	-39.4	175.8	-69.9	178.2	44.7	0	0	112.6	F444 S562 M563 C564 L568 V569 K570	F444-Q566 HydrophobicContact CD2-CB 4.4Å; F444-Q566 HydrophobicContact CE2-CB 4.43Å; F444-Q566 VanDerWaalsContact CE2-OE1 3.3Å; S562-Q566 WeakPolarHBondContact O-CG 3.3Å; S562-Q566 PolarHBondContact O-N 3Å; M563-Q566 PolarHBondContact O-N 2.68Å; C564-Q566 VanDerWaalsContact C-N 3.34Å; C564-Q566 PolarHBondContact O-N 2.87Å; Q566-L568 VanDerWaalsContact C-N 3.34Å; Q566-V569 PolarHBondContact O-N 3.49Å; Q566-K570 WeakPolarHBondContact O-CG 3.31Å; Q566-K570 PolarHBondContact O-N 2.96Å; Q566-K570 VanDerWaalsContact O-N 3.07Å
567	S	94.6	Very high	91.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-40.2	175	-170	0	0	0	0	111.9	I443 T533 M563 C564 V565 K570 A571	I443-S567 WeakPolarHBondContact O-CB 3.27Å; I443-S567 PolarHBondContact O-OG 3.21Å; T533-S567 WeakPolarHBondContact CG2-OG 3.42Å; M563-S567 WeakPolarHBondContact O-CB 3.45Å; M563-S567 PolarHBondContact O-N 3.19Å; C564-S567 WeakPolarHBondContact O-CB 3.31Å; C564-S567 PolarHBondContact O-N 3.41Å; C564-S567 VanDerWaalsContact O-N 3.16Å; V565-S567 VanDerWaalsContact C-N 3.33Å; V565-S567 PolarHBondContact O-N 2.96Å; S567-K570 PolarHBondContact O-N 3.22Å; S567-A571 WeakPolarHBondContact O-CB 3.35Å; S567-A571 PolarHBondContact O-N 2.89Å
568	L	94.7	Very high	91.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-39.9	175.2	-72	175.1	0	0	0	112.7	Y531 V534 C564 V565 Q566 A571 S572 F587 L588 H591 L592	Y531-L568 HydrophobicContact CD1-CD2 3.67Å; Y531-L568 HydrophobicContact CE1-CD2 4.3Å; Y531-L568 HydrophobicContact CG-CD2 4.35Å; V534-L568 HydrophobicContact CG2-CD1 4.01Å; V534-L568 HydrophobicContact CG2-CD2 3.8Å; V534-L568 HydrophobicContact CG2-CG 4.27Å; C564-L568 WeakPolarHBondContact O-CG 3.26Å; C564-L568 PolarHBondContact O-N 3.38Å; V565-L568 WeakPolarHBondContact O-CB 3.34Å; V565-L568 PolarHBondContact O-N 2.88Å; Q566-L568 VanDerWaalsContact C-N 3.34Å; L568-A571 PolarHBondContact O-N 3.48Å; L568-S572 WeakPolarHBondContact O-CB 3.01Å; L568-S572 PolarHBondContact O-N 3.42Å; L568-F587 HydrophobicContact CD2-CE1 4.16Å; L568-F587 HydrophobicContact CD2-CZ 4.16Å; L568-L588 HydrophobicContact CB-CD1 3.74Å; L568-H591 HydrophobicContact CD1-CB 3.94Å; L568-H591 HydrophobicContact CD2-CB 3.68Å; L568-H591 HydrophobicContact CG-CB 4.44Å; L568-L592 HydrophobicContact CD1-CD2 4.11Å
569	V	94.3	Very high	91.3	Very high	40 Å²	40	43.8 Å²	43.8	24%	0.242	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-47.4	175	172.7	0	0	0	0	110.5	V565 Q566 A571 S572 D573 L588	V565-V569 WeakPolarHBondContact O-CG2 3.41Å; V565-V569 PolarHBondContact O-N 3.28Å; Q566-V569 PolarHBondContact O-N 3.49Å; V569-A571 VanDerWaalsContact C-N 3.31Å; V569-A571 PolarHBondContact O-N 3.27Å; V569-S572 WeakPolarHBondContact O-CB 3.14Å; V569-S572 PolarHBondContact O-N 2.84Å; V569-D573 PolarHBondContact O-N 3.38Å; V569-L588 HydrophobicContact CG2-CD1 4.31Å; V569-L588 HydrophobicContact CG2-CD2 4.2Å
570	K	92.9	Very high	91.3	Very high	95 Å²	95	44 Å²	44	41%	0.413	22%	0.216	S	C	.	.	H	α-helix	trans	-58.5	-42.6	175.1	-68.8	174.7	-172.8	173.9	0	112.1	F444 Q566 S567 D573 L574	F444-K570 VanDerWaalsContact CE2-NZ 3.27Å; Q566-K570 WeakPolarHBondContact O-CG 3.31Å; Q566-K570 PolarHBondContact O-N 2.96Å; Q566-K570 VanDerWaalsContact O-N 3.07Å; S567-K570 PolarHBondContact O-N 3.22Å; K570-D573 PolarHBondContact O-N 3.35Å; K570-L574 WeakPolarHBondContact O-CG 3.24Å; K570-L574 PolarHBondContact O-N 2.97Å; K570-L574 VanDerWaalsContact O-N 3.08Å
571	A	92.8	Very high	91.2	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-40.3	177.5	0	0	0	0	0	112	Y531 S567 L568 V569 D573 L574 I575 F587	Y531-A571 HydrophobicContact CE1-CB 4.07Å; Y531-A571 HydrophobicContact CE2-CB 4.15Å; S567-A571 WeakPolarHBondContact O-CB 3.35Å; S567-A571 PolarHBondContact O-N 2.89Å; L568-A571 PolarHBondContact O-N 3.48Å; V569-A571 VanDerWaalsContact C-N 3.31Å; V569-A571 PolarHBondContact O-N 3.27Å; A571-D573 VanDerWaalsContact C-N 3.34Å; A571-D573 PolarHBondContact O-N 3.18Å; A571-L574 PolarHBondContact O-N 3.24Å; A571-I575 VanDerWaalsContact O-CG1 3.3Å; A571-I575 WeakPolarHBondContact O-CG1 3.3Å; A571-I575 PolarHBondContact O-N 2.85Å; A571-F587 HydrophobicContact CB-CE1 3.74Å; A571-F587 HydrophobicContact CB-CZ 4.03Å
572	S	93.6	Very high	91.2	Very high	7 Å²	7	47 Å²	47	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-43	173.5	168.2	0	0	0	0	112.2	L568 V569 I575 S576 G584	L568-S572 WeakPolarHBondContact O-CB 3.01Å; L568-S572 PolarHBondContact O-N 3.42Å; V569-S572 WeakPolarHBondContact O-CB 3.14Å; V569-S572 PolarHBondContact O-N 2.84Å; S572-I575 PolarHBondContact O-N 3.5Å; S572-S576 WeakPolarHBondContact O-CB 3.37Å; S572-S576 PolarHBondContact O-N 2.8Å; S572-S576 PolarHBondContact O-OG 2.91Å; S572-G584 VanDerWaalsContact OG-C 3.32Å; S572-G584 PolarHBondContact OG-O 3.38Å
573	D	93.9	Very high	91.2	Very high	89 Å²	89	46.6 Å²	46.6	48%	0.476	23%	0.231	S	C	.	.	H	α-helix	trans	-65.1	-42.3	177.3	-65.1	-23.9	0	0	0	111.3	V569 K570 A571 S576 L577	V569-D573 PolarHBondContact O-N 3.38Å; K570-D573 PolarHBondContact O-N 3.35Å; A571-D573 VanDerWaalsContact C-N 3.34Å; A571-D573 PolarHBondContact O-N 3.18Å; D573-S576 WeakPolarHBondContact O-CB 3.21Å; D573-S576 PolarHBondContact O-N 3.49Å; D573-L577 WeakPolarHBondContact O-CG 3.19Å; D573-L577 PolarHBondContact O-N 2.99Å
574	L	92.5	Very high	91.2	Very high	75 Å²	75	45.1 Å²	45.1	39%	0.393	22%	0.223	S	C	.	.	H	α-helix	trans	-64.4	-39.6	176.4	-69.4	173.8	0	0	0	112.7	P448 L453 K570 A571 L577 R578	P448-L574 HydrophobicContact CG-CD1 3.71Å; L453-L574 HydrophobicContact CD1-CB 4.15Å; L453-L574 HydrophobicContact CD1-CD1 4.32Å; L453-L574 HydrophobicContact CD2-CB 4.17Å; K570-L574 WeakPolarHBondContact O-CG 3.24Å; K570-L574 PolarHBondContact O-N 2.97Å; K570-L574 VanDerWaalsContact O-N 3.08Å; A571-L574 PolarHBondContact O-N 3.24Å; L574-L577 PolarHBondContact O-N 3.31Å; L574-R578 WeakPolarHBondContact O-CB 3.47Å; L574-R578 PolarHBondContact O-N 2.86Å; L574-R578 VanDerWaalsContact O-N 3.09Å
575	I	91.1	Very high	91.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-67.1	-40.7	175	-67	164.7	0	0	0	110.3	L453 Y455 A571 S572 L577 R578 R579 D583 F587	L453-I575 HydrophobicContact CD2-CG1 4.03Å; Y455-I575 HydrophobicContact CD2-CD1 3.81Å; Y455-I575 HydrophobicContact CG-CD1 4.36Å; A571-I575 VanDerWaalsContact O-CG1 3.3Å; A571-I575 WeakPolarHBondContact O-CG1 3.3Å; A571-I575 PolarHBondContact O-N 2.85Å; S572-I575 PolarHBondContact O-N 3.5Å; I575-L577 VanDerWaalsContact C-N 3.28Å; I575-L577 PolarHBondContact O-N 2.75Å; I575-R578 PolarHBondContact O-N 3.14Å; I575-R578 VanDerWaalsContact O-N 3.12Å; I575-R579 PolarHBondContact O-N 3.29Å; I575-D583 HydrophobicContact CG2-CB 4Å; I575-F587 HydrophobicContact CD1-CB 3.98Å; I575-F587 HydrophobicContact CD1-CD1 3.63Å; I575-F587 HydrophobicContact CD1-CD2 3.5Å; I575-F587 HydrophobicContact CD1-CE1 3.96Å; I575-F587 HydrophobicContact CD1-CE2 3.83Å; I575-F587 HydrophobicContact CD1-CG 3.4Å; I575-F587 VanDerWaalsContact CD1-CG 3.4Å; I575-F587 HydrophobicContact CD1-CZ 4.05Å
576	S	90.4	Very high	91.1	Very high	32 Å²	32	45.3 Å²	45.3	22%	0.224	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-37.7	176.7	-59.8	0	0	0	0	112.4	S572 D573 T580	S572-S576 WeakPolarHBondContact O-CB 3.37Å; S572-S576 PolarHBondContact O-N 2.8Å; S572-S576 PolarHBondContact O-OG 2.91Å; D573-S576 WeakPolarHBondContact O-CB 3.21Å; D573-S576 PolarHBondContact O-N 3.49Å; S576-T580 WeakPolarHBondContact CA-O 2.88Å
577	L	89.7	Confident	91.1	Very high	147 Å²	147	41.4 Å²	41.4	77%	0.77	21%	0.206	S	C	*	.	H	α-helix	trans	-71.9	-33.1	175.3	-72	168.4	0	0	0	112.9	D573 L574 I575	D573-L577 WeakPolarHBondContact O-CG 3.19Å; D573-L577 PolarHBondContact O-N 2.99Å; L574-L577 PolarHBondContact O-N 3.31Å; I575-L577 VanDerWaalsContact C-N 3.28Å; I575-L577 PolarHBondContact O-N 2.75Å
578	R	86	Confident	91	Very high	119 Å²	119	41.7 Å²	41.7	45%	0.449	21%	0.207	S	C	.	.	H	α-helix	trans	-79.5	-38.6	-177	-174.1	-179.1	177.9	171.5	1.9	113.2	S450 L453 L574 I575	S450-R578 PolarHBondContact O-NH1 3.24Å; L453-R578 VanDerWaalsContact C-NH1 3.32Å; L453-R578 PolarHBondContact O-NH1 3.24Å; L453-R578 VanDerWaalsContact O-NH1 3.09Å; L574-R578 WeakPolarHBondContact O-CB 3.47Å; L574-R578 PolarHBondContact O-N 2.86Å; L574-R578 VanDerWaalsContact O-N 3.09Å; I575-R578 PolarHBondContact O-N 3.14Å; I575-R578 VanDerWaalsContact O-N 3.12Å
579	R	83.6	Confident	91	Very high	129 Å²	129	41.8 Å²	41.8	49%	0.487	21%	0.207	S	C	.	.	S	Bend	trans	-126.7	-89.5	-172.4	-82.1	-66.1	-167.5	-179.1	1.2	112.5	E457 I575	E457-R579 IonicContact OE1-CZ 2.68Å; E457-R579 IonicContact OE1-NE 3.85Å; E457-R579 PolarHBondContact OE1-NE 3.32Å; E457-R579 IonicContact OE1-NH2 2.77Å; E457-R579 PolarHBondContact OE1-NH2 3Å; I575-R579 PolarHBondContact O-N 3.29Å
580	T	86.3	Confident	90.8	Very high	45 Å²	45	40.5 Å²	40.5	28%	0.276	20%	0.198	S	C	.	.			trans	-142.3	155	-179.1	74.3	0	0	0	0	110	S576 I582 D583 G584	S576-T580 WeakPolarHBondContact CA-O 2.88Å; T580-I582 PolarHBondContact O-N 3.37Å; T580-D583 PolarHBondContact O-N 2.9Å; T580-D583 PolarHBondContact OG1-N 3.31Å; T580-D583 PolarHBondContact OG1-OD2 3.47Å; T580-G584 PolarHBondContact O-N 3.37Å
581	T	89.1	Confident	90.7	Very high	60 Å²	60	36 Å²	36	37%	0.368	18%	0.179	S	C	.	.	H	α-helix	trans	-62.1	-29.8	175.6	59.6	0	0	0	0	112.2	Q585	T581-Q585 WeakPolarHBondContact O-CB 3.09Å; T581-Q585 WeakPolarHBondContact O-CG 3.46Å; T581-Q585 PolarHBondContact O-N 2.87Å; T581-Q585 VanDerWaalsContact O-N 3.1Å
582	I	88.5	Confident	90.7	Very high	4 Å²	4	36 Å²	36	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-47	176.5	-67.9	164.9	0	0	0	109.9	T580 G584 Q585 L586 F674 P748 C753	T580-I582 PolarHBondContact O-N 3.37Å; I582-G584 VanDerWaalsContact C-N 3.35Å; I582-G584 PolarHBondContact O-N 3.39Å; I582-Q585 PolarHBondContact O-N 3.37Å; I582-L586 HydrophobicContact CG2-CD1 3.63Å; I582-L586 HydrophobicContact CG2-CG 4.15Å; I582-L586 WeakPolarHBondContact O-CB 3.5Å; I582-L586 VanDerWaalsContact O-CG 3.3Å; I582-L586 WeakPolarHBondContact O-CG 3.22Å; I582-L586 PolarHBondContact O-N 3.11Å; I582-F674 HydrophobicContact CG2-CE2 4.33Å; I582-P748 HydrophobicContact CD1-CG 3.71Å; I582-C753 HydrophobicContact CG2-CB 4.16Å
583	D	89.4	Confident	90.5	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.053	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-40.4	-178.3	-65.8	-39.9	0	0	0	111.8	I575 T580 F587 Y757	I575-D583 HydrophobicContact CG2-CB 4Å; T580-D583 PolarHBondContact O-N 2.9Å; T580-D583 PolarHBondContact OG1-N 3.31Å; T580-D583 PolarHBondContact OG1-OD2 3.47Å; D583-F587 WeakPolarHBondContact O-CB 3.42Å; D583-F587 PolarHBondContact O-N 2.93Å; D583-Y757 HydrophobicContact CB-CE2 4.48Å; D583-Y757 VanDerWaalsContact CB-OH 3.23Å; D583-Y757 WeakPolarHBondContact CB-OH 3.07Å; D583-Y757 WeakPolarHBondContact OD1-CE2 3.37Å; D583-Y757 PolarHBondContact OD1-OH 3.33Å
584	G	91.9	Very high	90.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-46.2	175.4	0	0	0	0	0	112.8	S572 T580 I582 F587 L588	S572-G584 VanDerWaalsContact OG-C 3.32Å; S572-G584 PolarHBondContact OG-O 3.38Å; T580-G584 PolarHBondContact O-N 3.37Å; I582-G584 VanDerWaalsContact C-N 3.35Å; I582-G584 PolarHBondContact O-N 3.39Å; G584-F587 WeakPolarHBondContact O-CB 3.31Å; G584-F587 PolarHBondContact O-N 3.29Å; G584-L588 PolarHBondContact O-N 3.09Å
585	Q	93	Very high	90	Very high	13 Å²	13	31 Å²	31	6%	0.061	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-43.6	178.5	-73.6	176.8	-28.4	0	0	112.7	T581 I582 L588 I589 F674 Q677	T581-Q585 WeakPolarHBondContact O-CB 3.09Å; T581-Q585 WeakPolarHBondContact O-CG 3.46Å; T581-Q585 PolarHBondContact O-N 2.87Å; T581-Q585 VanDerWaalsContact O-N 3.1Å; I582-Q585 PolarHBondContact O-N 3.37Å; Q585-L588 PolarHBondContact O-N 3.3Å; Q585-I589 VanDerWaalsContact O-CG1 3.3Å; Q585-I589 WeakPolarHBondContact O-CG1 3.44Å; Q585-I589 PolarHBondContact O-N 3Å; Q585-F674 HydrophobicContact CB-CD2 3.81Å; Q585-F674 VanDerWaalsContact OE1-CD2 3.28Å; Q585-Q677 VanDerWaalsContact NE2-CD 3.28Å
586	L	91.5	Very high	89.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.1	-36.5	177.2	-69.7	180	0	0	0	111.9	I582 L588 I589 K590 F674 C753 L754 Y757	I582-L586 HydrophobicContact CG2-CD1 3.63Å; I582-L586 HydrophobicContact CG2-CG 4.15Å; I582-L586 WeakPolarHBondContact O-CB 3.5Å; I582-L586 VanDerWaalsContact O-CG 3.3Å; I582-L586 WeakPolarHBondContact O-CG 3.22Å; I582-L586 PolarHBondContact O-N 3.11Å; L586-L588 VanDerWaalsContact C-N 3.32Å; L586-L588 PolarHBondContact O-N 2.89Å; L586-I589 PolarHBondContact O-N 3.23Å; L586-K590 WeakPolarHBondContact O-CB 3.37Å; L586-K590 PolarHBondContact O-N 3.45Å; L586-F674 HydrophobicContact CD2-CE1 4.2Å; L586-F674 HydrophobicContact CD2-CE2 3.87Å; L586-F674 HydrophobicContact CD2-CZ 3.68Å; L586-F674 HydrophobicContact CG-CE2 4.02Å; L586-F674 HydrophobicContact CG-CZ 4.22Å; L586-C753 HydrophobicContact CD1-CB 3.81Å; L586-L754 HydrophobicContact CD2-CD2 3.73Å; L586-Y757 HydrophobicContact CB-CD1 3.92Å; L586-Y757 HydrophobicContact CB-CD2 3.8Å; L586-Y757 HydrophobicContact CB-CE1 4.41Å; L586-Y757 HydrophobicContact CB-CE2 4.31Å; L586-Y757 HydrophobicContact CB-CG 3.59Å; L586-Y757 HydrophobicContact CD1-CD2 3.79Å; L586-Y757 HydrophobicContact CD1-CE2 4.4Å; L586-Y757 HydrophobicContact CD1-CG 4.27Å; L586-Y757 HydrophobicContact CG-CD2 4.47Å
587	F	92.4	Very high	89.5	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.7	-47.6	169.6	166.6	-90.2	0	0	0	111.1	Y455 Y531 L568 A571 I575 D583 G584 K590 H591 Y757	Y455-F587 HydrophobicContact CD1-CD2 4.22Å; Y455-F587 AromaticContact CD2-CD2 3.72Å; Y455-F587 HydrophobicContact CD2-CD2 3.72Å; Y455-F587 AromaticContact CD2-CE2 3.87Å; Y455-F587 HydrophobicContact CD2-CE2 3.87Å; Y455-F587 HydrophobicContact CE1-CD2 4.2Å; Y455-F587 HydrophobicContact CE1-CE2 4.49Å; Y455-F587 AromaticContact CE2-CD2 3.68Å; Y455-F587 HydrophobicContact CE2-CD2 3.68Å; Y455-F587 AromaticContact CE2-CE2 3.43Å; Y455-F587 HydrophobicContact CE2-CE2 3.43Å; Y455-F587 VanDerWaalsContact CE2-CE2 3.43Å; Y455-F587 AromaticContact CG-CD2 3.99Å; Y455-F587 HydrophobicContact CG-CD2 3.99Å; Y455-F587 AromaticContact CZ-CD2 3.94Å; Y455-F587 AromaticContact CZ-CE2 3.79Å; Y531-F587 HydrophobicContact CD1-CZ 4.26Å; Y531-F587 HydrophobicContact CD2-CE2 4.12Å; Y531-F587 AromaticContact CD2-CZ 3.8Å; Y531-F587 HydrophobicContact CD2-CZ 3.8Å; Y531-F587 HydrophobicContact CE2-CZ 4.34Å; Y531-F587 HydrophobicContact CG-CE2 4.25Å; Y531-F587 AromaticContact CG-CZ 3.77Å; Y531-F587 HydrophobicContact CG-CZ 3.77Å; L568-F587 HydrophobicContact CD2-CE1 4.16Å; L568-F587 HydrophobicContact CD2-CZ 4.16Å; A571-F587 HydrophobicContact CB-CE1 3.74Å; A571-F587 HydrophobicContact CB-CZ 4.03Å; I575-F587 HydrophobicContact CD1-CB 3.98Å; I575-F587 HydrophobicContact CD1-CD1 3.63Å; I575-F587 HydrophobicContact CD1-CD2 3.5Å; I575-F587 HydrophobicContact CD1-CE1 3.96Å; I575-F587 HydrophobicContact CD1-CE2 3.83Å; I575-F587 HydrophobicContact CD1-CG 3.4Å; I575-F587 VanDerWaalsContact CD1-CG 3.4Å; I575-F587 HydrophobicContact CD1-CZ 4.05Å; D583-F587 WeakPolarHBondContact O-CB 3.42Å; D583-F587 PolarHBondContact O-N 2.93Å; G584-F587 WeakPolarHBondContact O-CB 3.31Å; G584-F587 PolarHBondContact O-N 3.29Å; F587-K590 PolarHBondContact O-N 3.21Å; F587-H591 AromaticContact CD2-CE1 3.34Å; F587-H591 WeakPolarHBondContact CD2-CE1 3.46Å; F587-H591 AromaticContact CD2-ND1 3.41Å; F587-H591 WeakPolarHBondContact CD2-ND1 3.36Å; F587-H591 AromaticContact CE2-CE1 3.13Å; F587-H591 WeakPolarHBondContact CE2-CE1 3.48Å; F587-H591 AromaticContact CE2-ND1 3.34Å; F587-H591 VanDerWaalsContact CE2-ND1 3.34Å; F587-H591 WeakPolarHBondContact CE2-ND1 3.47Å; F587-H591 AromaticContact CE2-NE2 3.88Å; F587-H591 AromaticContact CG-ND1 3.9Å; F587-H591 AromaticContact CZ-CE1 3.92Å; F587-H591 AromaticContact CZ-ND1 3.76Å; F587-H591 PolarHBondContact O-N 2.7Å; F587-H591 VanDerWaalsContact O-N 3.09Å; F587-H591 PolarHBondContact O-ND1 3.47Å; F587-Y757 HydrophobicContact CB-CE1 4Å
588	L	94.3	Very high	89.1	Confident	9 Å²	9	30.4 Å²	30.4	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-48.2	179.9	-174.1	55.1	0	0	0	111.2	L568 V569 G584 Q585 L586 K590 H591 L592 T670	L568-L588 HydrophobicContact CB-CD1 3.74Å; V569-L588 HydrophobicContact CG2-CD1 4.31Å; V569-L588 HydrophobicContact CG2-CD2 4.2Å; G584-L588 PolarHBondContact O-N 3.09Å; Q585-L588 PolarHBondContact O-N 3.3Å; L586-L588 VanDerWaalsContact C-N 3.32Å; L586-L588 PolarHBondContact O-N 2.89Å; L588-K590 PolarHBondContact O-N 3.1Å; L588-H591 PolarHBondContact O-N 2.94Å; L588-L592 HydrophobicContact CD1-CD1 3.9Å; L588-L592 HydrophobicContact CD1-CD2 4.3Å; L588-L592 HydrophobicContact CD1-CG 3.89Å; L588-L592 HydrophobicContact CG-CD1 3.82Å; L588-L592 HydrophobicContact CG-CG 4.24Å; L588-L592 WeakPolarHBondContact O-CB 3.44Å; L588-L592 VanDerWaalsContact O-CG 3.23Å; L588-L592 WeakPolarHBondContact O-CG 3.37Å; L588-L592 PolarHBondContact O-N 3.09Å; L588-T670 HydrophobicContact CB-CG2 4.23Å; L588-T670 HydrophobicContact CD2-CG2 3.67Å; L588-T670 HydrophobicContact CG-CG2 3.97Å
589	I	93.1	Very high	88.8	Confident	2 Å²	2	25 Å²	25	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-58	-48	178.1	-67	167.6	0	0	0	110.6	Q585 L586 H591 L592 L593 L667 T670 F674 L758	Q585-I589 VanDerWaalsContact O-CG1 3.3Å; Q585-I589 WeakPolarHBondContact O-CG1 3.44Å; Q585-I589 PolarHBondContact O-N 3Å; L586-I589 PolarHBondContact O-N 3.23Å; I589-H591 PolarHBondContact O-N 3.07Å; I589-L592 PolarHBondContact O-N 3.49Å; I589-L593 HydrophobicContact CG2-CD1 3.88Å; I589-L593 HydrophobicContact CG2-CG 4.42Å; I589-L593 WeakPolarHBondContact O-CB 3.29Å; I589-L593 VanDerWaalsContact O-CG 3.29Å; I589-L593 WeakPolarHBondContact O-CG 3.42Å; I589-L593 PolarHBondContact O-N 3.22Å; I589-L667 HydrophobicContact CG2-CD1 4.33Å; I589-T670 HydrophobicContact CD1-CG2 4.41Å; I589-T670 HydrophobicContact CG1-CG2 3.8Å; I589-F674 HydrophobicContact CD1-CB 4.1Å; I589-F674 HydrophobicContact CD1-CD1 4.33Å; I589-F674 HydrophobicContact CD1-CG 4.14Å; I589-L758 HydrophobicContact CG2-CD2 3.9Å
590	K	90.3	Very high	88.5	Confident	12 Å²	12	22.8 Å²	22.8	5%	0.052	12%	0.117	C	C	.	.	H	α-helix	trans	-55.5	-51.1	178.4	-174.4	-168.1	177.4	74.2	0	111.1	D525 L586 F587 L588 L593 I594 Y757 L758	D525-K590 IonicContact OD1-NZ 3.7Å; D525-K590 PolarHBondContact OD1-NZ 2.75Å; L586-K590 WeakPolarHBondContact O-CB 3.37Å; L586-K590 PolarHBondContact O-N 3.45Å; F587-K590 PolarHBondContact O-N 3.21Å; L588-K590 PolarHBondContact O-N 3.1Å; K590-L593 PolarHBondContact O-N 2.94Å; K590-I594 HydrophobicContact CG-CD1 4.06Å; K590-I594 WeakPolarHBondContact O-CG1 3.15Å; K590-I594 PolarHBondContact O-N 3.34Å; K590-Y757 WeakPolarHBondContact CD-O 3.33Å; K590-Y757 WeakPolarHBondContact CG-O 3.31Å; K590-Y757 PolarHBondContact NZ-O 3.43Å; K590-L758 HydrophobicContact CB-CD2 4.42Å
591	H	92.2	Very high	87.8	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-75.2	-29.5	-174.3	-70.3	86.6	0	0	0	113.5	Y531 V534 L568 F587 L588 I589 L595	Y531-H591 WeakPolarHBondContact CB-NE2 3.28Å; Y531-H591 PolarHBondContact N-NE2 3.29Å; V534-H591 HydrophobicContact CG2-CB 4.31Å; L568-H591 HydrophobicContact CD1-CB 3.94Å; L568-H591 HydrophobicContact CD2-CB 3.68Å; L568-H591 HydrophobicContact CG-CB 4.44Å; F587-H591 AromaticContact CD2-CE1 3.34Å; F587-H591 WeakPolarHBondContact CD2-CE1 3.46Å; F587-H591 AromaticContact CD2-ND1 3.41Å; F587-H591 WeakPolarHBondContact CD2-ND1 3.36Å; F587-H591 AromaticContact CE2-CE1 3.13Å; F587-H591 WeakPolarHBondContact CE2-CE1 3.48Å; F587-H591 AromaticContact CE2-ND1 3.34Å; F587-H591 VanDerWaalsContact CE2-ND1 3.34Å; F587-H591 WeakPolarHBondContact CE2-ND1 3.47Å; F587-H591 AromaticContact CE2-NE2 3.88Å; F587-H591 AromaticContact CG-ND1 3.9Å; F587-H591 AromaticContact CZ-CE1 3.92Å; F587-H591 AromaticContact CZ-ND1 3.76Å; F587-H591 PolarHBondContact O-N 2.7Å; F587-H591 VanDerWaalsContact O-N 3.09Å; F587-H591 PolarHBondContact O-ND1 3.47Å; L588-H591 PolarHBondContact O-N 2.94Å; I589-H591 PolarHBondContact O-N 3.07Å; H591-L595 VanDerWaalsContact O-CB 3.31Å; H591-L595 WeakPolarHBondContact O-CB 3.42Å; H591-L595 PolarHBondContact O-N 2.97Å
592	L	92.4	Very high	86.8	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.2	-38.3	170.8	-68.3	177.6	0	0	0	111.6	V565 L568 L588 I589 L595 R596 L663 Q666 L667	V565-L592 HydrophobicContact CG1-CD2 4.29Å; V565-L592 HydrophobicContact CG2-CD2 4Å; L568-L592 HydrophobicContact CD1-CD2 4.11Å; L588-L592 HydrophobicContact CD1-CD1 3.9Å; L588-L592 HydrophobicContact CD1-CD2 4.3Å; L588-L592 HydrophobicContact CD1-CG 3.89Å; L588-L592 HydrophobicContact CG-CD1 3.82Å; L588-L592 HydrophobicContact CG-CG 4.24Å; L588-L592 WeakPolarHBondContact O-CB 3.44Å; L588-L592 VanDerWaalsContact O-CG 3.23Å; L588-L592 WeakPolarHBondContact O-CG 3.37Å; L588-L592 PolarHBondContact O-N 3.09Å; I589-L592 PolarHBondContact O-N 3.49Å; L592-L595 PolarHBondContact O-N 2.83Å; L592-R596 VanDerWaalsContact O-CB 3.27Å; L592-R596 WeakPolarHBondContact O-CB 3.33Å; L592-R596 PolarHBondContact O-N 3.01Å; L592-L663 HydrophobicContact CB-CD1 4.45Å; L592-L663 HydrophobicContact CD2-CD1 3.64Å; L592-Q666 HydrophobicContact CD1-CG 4.14Å; L592-L667 HydrophobicContact CB-CD1 3.96Å; L592-L667 HydrophobicContact CD1-CB 4.38Å; L592-L667 HydrophobicContact CD1-CD1 4.39Å
593	L	89.8	Confident	85.3	Confident	54 Å²	54	27.2 Å²	27.2	28%	0.283	16%	0.155	S	C	.	.	H	α-helix	trans	-64.4	-45.4	174.4	-74.1	171.1	0	0	0	111.8	I589 K590 R596 E597 L667 L758	I589-L593 HydrophobicContact CG2-CD1 3.88Å; I589-L593 HydrophobicContact CG2-CG 4.42Å; I589-L593 WeakPolarHBondContact O-CB 3.29Å; I589-L593 VanDerWaalsContact O-CG 3.29Å; I589-L593 WeakPolarHBondContact O-CG 3.42Å; I589-L593 PolarHBondContact O-N 3.22Å; K590-L593 PolarHBondContact O-N 2.94Å; L593-R596 PolarHBondContact O-N 3.29Å; L593-E597 PolarHBondContact O-N 3.44Å; L593-L667 HydrophobicContact CD2-CD1 4.31Å; L593-L667 HydrophobicContact CD2-CD2 3.72Å; L593-L667 HydrophobicContact CG-CD1 4.21Å; L593-L667 HydrophobicContact CG-CD2 4.42Å; L593-L758 HydrophobicContact CD1-CD2 4.18Å
594	I	86.8	Confident	83.6	Confident	12 Å²	12	28.8 Å²	28.8	6%	0.062	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-50.3	175.1	-67.5	165.3	0	0	0	109.9	W530 V534 K590 R596 E597 Q598	W530-I594 HydrophobicContact CD2-CG2 4.24Å; W530-I594 HydrophobicContact CH2-CG2 4.48Å; W530-I594 HydrophobicContact CZ2-CG2 4.04Å; V534-I594 HydrophobicContact CG1-CG2 4.24Å; K590-I594 HydrophobicContact CG-CD1 4.06Å; K590-I594 WeakPolarHBondContact O-CG1 3.15Å; K590-I594 PolarHBondContact O-N 3.34Å; I594-R596 VanDerWaalsContact C-N 3.27Å; I594-R596 PolarHBondContact O-N 2.99Å; I594-E597 PolarHBondContact O-N 3.36Å; I594-Q598 HydrophobicContact CG2-CG 4.16Å; I594-Q598 WeakPolarHBondContact O-CB 3.34Å; I594-Q598 WeakPolarHBondContact O-CG 3.41Å; I594-Q598 PolarHBondContact O-N 2.91Å
595	L	88.2	Confident	81.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.9	-41	179.7	-174.2	62	0	0	0	111.3	T537 L538 V561 C564 V565 H591 L592 M599 L663	T537-L595 HydrophobicContact CG2-CD1 4.18Å; L538-L595 HydrophobicContact CD2-CD1 4.14Å; V561-L595 HydrophobicContact CG1-CD2 4.28Å; C564-L595 HydrophobicContact CB-CD2 4.42Å; V565-L595 HydrophobicContact CG2-CD2 4.06Å; H591-L595 VanDerWaalsContact O-CB 3.31Å; H591-L595 WeakPolarHBondContact O-CB 3.42Å; H591-L595 PolarHBondContact O-N 2.97Å; L592-L595 PolarHBondContact O-N 2.83Å; L595-M599 WeakPolarHBondContact O-CB 3.06Å; L595-M599 WeakPolarHBondContact O-CG 3.36Å; L595-M599 PolarHBondContact O-N 2.9Å; L595-M599 VanDerWaalsContact O-N 3.11Å; L595-L663 HydrophobicContact CD2-CD1 4.05Å; L595-L663 HydrophobicContact CG-CD2 4.28Å
596	R	86.6	Confident	80.2	Confident	103 Å²	103	35.2 Å²	35.2	39%	0.389	19%	0.193	S	C	.	.	H	α-helix	trans	-63.2	-49.5	178	-177.1	-174	-176.3	-89.1	-3.5	112.2	L592 L593 I594 M599 L663 D664	L592-R596 VanDerWaalsContact O-CB 3.27Å; L592-R596 WeakPolarHBondContact O-CB 3.33Å; L592-R596 PolarHBondContact O-N 3.01Å; L593-R596 PolarHBondContact O-N 3.29Å; I594-R596 VanDerWaalsContact C-N 3.27Å; I594-R596 PolarHBondContact O-N 2.99Å; R596-M599 PolarHBondContact O-N 3.47Å; R596-L663 VanDerWaalsContact CA-CD2 3.47Å; R596-L663 HydrophobicContact CB-CD2 3.67Å; R596-L663 HydrophobicContact CB-CG 4.41Å; R596-L663 HydrophobicContact CG-CD2 4.27Å; R596-D664 WeakPolarHBondContact CD-OD1 3.41Å; R596-D664 IonicContact CZ-OD1 3.26Å; R596-D664 IonicContact NE-OD1 3.92Å; R596-D664 PolarHBondContact NE-OD1 3.2Å; R596-D664 IonicContact NH2-OD1 3.24Å
597	E	83.8	Confident	78.2	Confident	56 Å²	56	37 Å²	37	26%	0.262	20%	0.202	S	C	.	.	H	α-helix	trans	-63.7	-43.9	-178.9	-171.3	65.4	-169.1	0	0	111	L593 I594 M599 V600 P601	L593-E597 PolarHBondContact O-N 3.44Å; I594-E597 PolarHBondContact O-N 3.36Å; E597-M599 PolarHBondContact O-N 3.43Å; E597-V600 WeakPolarHBondContact O-CB 3.4Å; E597-V600 WeakPolarHBondContact O-CG2 3.13Å; E597-V600 PolarHBondContact O-N 2.79Å; E597-V600 VanDerWaalsContact O-N 3.14Å; E597-P601 WeakPolarHBondContact O-CD 3.42Å
598	Q	82.4	Confident	76.4	Confident	9 Å²	9	38.2 Å²	38.2	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-70.2	-14.7	179.1	-61.9	-59.9	-37.6	0	0	113	W530 L538 I594 P601 F602	W530-Q598 HydrophobicContact CH2-CG 3.98Å; L538-Q598 HydrophobicContact CD1-CB 3.66Å; L538-Q598 HydrophobicContact CD1-CG 3.73Å; L538-Q598 HydrophobicContact CD2-CB 3.58Å; L538-Q598 HydrophobicContact CG-CB 4.28Å; I594-Q598 HydrophobicContact CG2-CG 4.16Å; I594-Q598 WeakPolarHBondContact O-CB 3.34Å; I594-Q598 WeakPolarHBondContact O-CG 3.41Å; I594-Q598 PolarHBondContact O-N 2.91Å; Q598-P601 WeakPolarHBondContact O-CD 3.33Å; Q598-F602 WeakPolarHBondContact O-CD2 3.34Å; Q598-F602 WeakPolarHBondContact O-CE2 3.41Å
599	M	78.8	Confident	74.4	Confident	6 Å²	6	44 Å²	44	3%	0.03	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.4	173.2	-75.5	-68.9	97.3	0	0	114.5	L538 L541 V561 L595 R596 E597 F602 F606 R660	L538-M599 HydrophobicContact CD2-CE 3.6Å; L541-M599 HydrophobicContact CB-CE 4.49Å; L541-M599 HydrophobicContact CD1-CE 3.32Å; L541-M599 HydrophobicContact CD1-SD 3.8Å; V561-M599 HydrophobicContact CG2-SD 3.91Å; L595-M599 WeakPolarHBondContact O-CB 3.06Å; L595-M599 WeakPolarHBondContact O-CG 3.36Å; L595-M599 PolarHBondContact O-N 2.9Å; L595-M599 VanDerWaalsContact O-N 3.11Å; R596-M599 PolarHBondContact O-N 3.47Å; E597-M599 PolarHBondContact O-N 3.43Å; M599-F602 HydrophobicContact CE-CD2 3.23Å; M599-F602 HydrophobicContact CE-CE2 3.17Å; M599-F602 HydrophobicContact CE-CG 4.15Å; M599-F602 HydrophobicContact CE-CZ 4.07Å; M599-F602 HydrophobicContact SD-CD2 4.27Å; M599-F606 HydrophobicContact SD-CE2 4.16Å; M599-F606 HydrophobicContact SD-CZ 3.96Å; M599-R660 PolarHBondContact O-NH2 2.94Å
600	V	78.3	Confident	72.7	Confident	82 Å²	82	47.7 Å²	47.7	50%	0.497	25%	0.252	S	S	.	.	S	Bend	trans	-68.3	-49.3	178.1	-179.1	0	0	0	0	112.3	E597 F602 G603	E597-V600 WeakPolarHBondContact O-CB 3.4Å; E597-V600 WeakPolarHBondContact O-CG2 3.13Å; E597-V600 PolarHBondContact O-N 2.79Å; E597-V600 VanDerWaalsContact O-N 3.14Å; V600-F602 PolarHBondContact O-N 2.98Å; V600-G603 PolarHBondContact O-N 3.48Å
601	P	72	Confident	71	Confident	102 Å²	102	52.2 Å²	52.2	66%	0.662	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.8	-176	-23.8	34.9	0	0	0	114.4	E597 Q598 G603	E597-P601 WeakPolarHBondContact O-CD 3.42Å; Q598-P601 WeakPolarHBondContact O-CD 3.33Å; P601-G603 PolarHBondContact O-N 2.91Å; P601-G603 VanDerWaalsContact O-N 3.07Å
602	F	68.1	Low	69.4	Low	39 Å²	39	54 Å²	54	17%	0.171	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.8	-179.5	-70.9	-80.7	0	0	0	113.3	L541 F553 Q598 M599 V600 I604 F606	L541-F602 HydrophobicContact CB-CE1 4Å; L541-F602 HydrophobicContact CB-CZ 3.93Å; F553-F602 HydrophobicContact CZ-CD1 4.29Å; Q598-F602 WeakPolarHBondContact O-CD2 3.34Å; Q598-F602 WeakPolarHBondContact O-CE2 3.41Å; M599-F602 HydrophobicContact CE-CD2 3.23Å; M599-F602 HydrophobicContact CE-CE2 3.17Å; M599-F602 HydrophobicContact CE-CG 4.15Å; M599-F602 HydrophobicContact CE-CZ 4.07Å; M599-F602 HydrophobicContact SD-CD2 4.27Å; V600-F602 PolarHBondContact O-N 2.98Å; F602-I604 VanDerWaalsContact O-CG1 3.27Å; F602-I604 WeakPolarHBondContact O-CG1 3.1Å; F602-I604 PolarHBondContact O-N 3.48Å; F602-F606 HydrophobicContact CB-CZ 4.14Å
603	G	55.7	Low	68.1	Low	61 Å²	61	58.4 Å²	58.4	63%	0.629	32%	0.316	S	S	*	.			trans	62.1	-5.1	165.6	0	0	0	0	0	116.8	V600 P601	V600-G603 PolarHBondContact O-N 3.48Å; P601-G603 PolarHBondContact O-N 2.91Å; P601-G603 VanDerWaalsContact O-N 3.07Å
604	I	54.9	Low	66.8	Low	44 Å²	44	58 Å²	58	23%	0.226	31%	0.314	C	S	.	.			trans	-90.8	125.1	-173.8	-68.5	157.6	0	0	0	108.3	F553 F602 F606	F553-I604 HydrophobicContact CD1-CD1 3.33Å; F553-I604 HydrophobicContact CD1-CG1 4.48Å; F553-I604 HydrophobicContact CD1-CG2 4.37Å; F553-I604 HydrophobicContact CE1-CB 4.43Å; F553-I604 HydrophobicContact CE1-CD1 3.33Å; F553-I604 HydrophobicContact CE1-CG1 4.44Å; F553-I604 HydrophobicContact CG-CD1 4.38Å; F553-I604 HydrophobicContact CZ-CD1 4.4Å; F602-I604 VanDerWaalsContact O-CG1 3.27Å; F602-I604 WeakPolarHBondContact O-CG1 3.1Å; F602-I604 PolarHBondContact O-N 3.48Å; I604-F606 VanDerWaalsContact C-N 3.34Å; I604-F606 WeakPolarHBondContact O-CD2 3.43Å; I604-F606 WeakPolarHBondContact O-CE2 3.23Å; I604-F606 PolarHBondContact O-N 3.45Å
605	E	54.9	Low	66	Low	148 Å²	148	63.1 Å²	63.1	69%	0.692	34%	0.336	S	S	*	.			trans	-64.1	97.4	168.2	-67.9	-176	170.3	0	0	107.7	R554 L607	R554-E605 VanDerWaalsContact CZ-O 3.23Å; R554-E605 PolarHBondContact NE-O 3.3Å; R554-E605 VanDerWaalsContact NE-O 3.08Å; R554-E605 PolarHBondContact NH2-O 3.09Å; R554-E605 VanDerWaalsContact NH2-O 3.15Å; E605-L607 PolarHBondContact O-N 3.43Å
606	F	57.8	Low	65.3	Low	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.354	C	S	.	.			trans	-70.6	41.2	179.2	-62.7	-77.3	0	0	0	113.2	F553 A557 M599 F602 I604 V608 D658 S659 R660	F553-F606 AromaticContact CE1-CE1 3.85Å; F553-F606 HydrophobicContact CE1-CE1 3.85Å; F553-F606 HydrophobicContact CE1-CZ 4.38Å; F553-F606 HydrophobicContact CZ-CE1 4.44Å; A557-F606 HydrophobicContact CB-CD1 3.83Å; A557-F606 HydrophobicContact CB-CE1 3.38Å; A557-F606 HydrophobicContact CB-CZ 4.47Å; M599-F606 HydrophobicContact SD-CE2 4.16Å; M599-F606 HydrophobicContact SD-CZ 3.96Å; F602-F606 HydrophobicContact CB-CZ 4.14Å; I604-F606 VanDerWaalsContact C-N 3.34Å; I604-F606 WeakPolarHBondContact O-CD2 3.43Å; I604-F606 WeakPolarHBondContact O-CE2 3.23Å; I604-F606 PolarHBondContact O-N 3.45Å; F606-V608 PolarHBondContact O-N 3.03Å; F606-D658 WeakPolarHBondContact O-CA 3.48Å; F606-S659 WeakPolarHBondContact CB-OG 3.3Å; F606-S659 VanDerWaalsContact CG-OG 3.25Å; F606-S659 WeakPolarHBondContact CG-OG 3.34Å; F606-S659 PolarHBondContact O-N 2.8Å; F606-R660 HydrophobicContact CD2-CG 4.16Å
607	L	49.2	Very low	64.5	Low	36 Å²	36	61.6 Å²	61.6	19%	0.188	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	71.5	-173.5	175	106.8	0	0	0	111.5	R554 E605 K609 E656 L657 D658	R554-L607 VanDerWaalsContact NE-N 3.14Å; R554-L607 PolarHBondContact NE-O 3.46Å; R554-L607 VanDerWaalsContact NH2-CA 3.3Å; R554-L607 PolarHBondContact NH2-O 2.91Å; E605-L607 PolarHBondContact O-N 3.43Å; L607-K609 PolarHBondContact O-N 3.43Å; L607-E656 HydrophobicContact CD1-CB 3.88Å; L607-E656 HydrophobicContact CD1-CG 4.42Å; L607-E656 HydrophobicContact CD2-CG 4.44Å; L607-E656 HydrophobicContact CG-CB 4.19Å; L607-E656 HydrophobicContact CG-CG 4.38Å; L607-L657 CarbonylContact C-O 3.58Å; L607-L657 WeakPolarHBondContact CA-O 3.36Å; L607-D658 HydrophobicContact CD1-CB 4.26Å
608	V	55.1	Low	64	Low	26 Å²	26	61.1 Å²	61.1	16%	0.158	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	127	-178.5	-176.5	0	0	0	0	109	R554 Q558 F606 E610 L657	R554-V608 HydrophobicContact CG-CG2 3.73Å; Q558-V608 HydrophobicContact CB-CG2 4.28Å; F606-V608 PolarHBondContact O-N 3.03Å; V608-E610 HydrophobicContact CG1-CG 3.85Å; V608-E610 PolarHBondContact O-N 3.47Å; V608-L657 PolarHBondContact N-O 3.41Å; V608-L657 PolarHBondContact O-N 3.32Å
609	K	52.2	Low	63.6	Low	130 Å²	130	66.5 Å²	66.5	57%	0.565	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	95.5	168.5	-72.8	-173.8	178.7	-160	0	108.2	L607 E656	L607-K609 PolarHBondContact O-N 3.43Å; K609-E656 WeakPolarHBondContact CE-OE1 3.48Å; K609-E656 HydrophobicContact CG-CG 3.87Å; K609-E656 IonicContact NZ-OE1 3.89Å; K609-E656 PolarHBondContact NZ-OE1 3.36Å
610	E	56.5	Low	63.3	Low	81 Å²	81	70.6 Å²	70.6	38%	0.379	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112.5	171.4	-68.9	-175.4	179.5	0	0	108.6	V608 S612 I655	V608-E610 HydrophobicContact CG1-CG 3.85Å; V608-E610 PolarHBondContact O-N 3.47Å; E610-S612 VanDerWaalsContact C-N 3.32Å; E610-S612 PolarHBondContact O-N 3.22Å; E610-I655 PolarHBondContact N-O 3.35Å; E610-I655 PolarHBondContact O-N 3.43Å
611	T	54.7	Low	63	Low	107 Å²	107	67.3 Å²	67.3	66%	0.656	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	90.2	169.8	55.1	0	0	0	0	107.7	D654	T611-D654 WeakPolarHBondContact CG2-OD1 3.38Å
612	S	59.2	Low	63	Low	39 Å²	39	64.4 Å²	64.4	27%	0.273	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.6	174.3	73	0	0	0	0	109.3	E610 D614 I653 I655	E610-S612 VanDerWaalsContact C-N 3.32Å; E610-S612 PolarHBondContact O-N 3.22Å; S612-D614 PolarHBondContact O-N 3.34Å; S612-I653 PolarHBondContact N-O 2.94Å; S612-I653 PolarHBondContact O-N 3.02Å; S612-I653 VanDerWaalsContact O-O 3.12Å; S612-I653 PolarHBondContact OG-O 2.88Å; S612-I655 WeakPolarHBondContact OG-CD1 3.39Å; S612-I655 WeakPolarHBondContact OG-CG1 3.45Å
613	L	64.4	Low	63.1	Low	91 Å²	91	68.8 Å²	68.8	48%	0.476	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	111.5	171.2	-68.5	171.9	0	0	0	107.5	F615 P650 A652	L613-F615 HydrophobicContact CB-CE2 3.95Å; L613-F615 HydrophobicContact CB-CZ 4.01Å; L613-F615 WeakPolarHBondContact O-CD2 3.24Å; L613-F615 WeakPolarHBondContact O-CE2 3.43Å; L613-F615 PolarHBondContact O-N 3.15Å; L613-P650 HydrophobicContact CB-CB 3.91Å; L613-P650 HydrophobicContact CD1-CG 4.37Å; L613-P650 HydrophobicContact CD2-CB 4.01Å; L613-P650 HydrophobicContact CD2-CG 4.35Å; L613-P650 HydrophobicContact CG-CB 4.35Å; L613-A652 HydrophobicContact CD2-CB 4.16Å
614	D	62.3	Low	63.8	Low	45 Å²	45	68 Å²	68	24%	0.241	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	112	175	-176.5	16.9	0	0	0	109.4	S612 S616 P617 N651 I653	S612-D614 PolarHBondContact O-N 3.34Å; D614-S616 VanDerWaalsContact C-N 3.3Å; D614-S616 WeakPolarHBondContact OD1-CB 3.19Å; D614-S616 PolarHBondContact OD1-N 2.98Å; D614-S616 PolarHBondContact OD1-OG 3.11Å; D614-S616 WeakPolarHBondContact OD2-CB 3.48Å; D614-S616 PolarHBondContact OD2-OG 3.13Å; D614-P617 WeakPolarHBondContact O-CD 3.29Å; D614-N651 PolarHBondContact N-O 3.16Å; D614-I653 HydrophobicContact CB-CD1 3.43Å; D614-I653 VanDerWaalsContact CB-CD1 3.43Å; D614-I653 HydrophobicContact CB-CG1 3.79Å; D614-I653 WeakPolarHBondContact OD2-CD1 3.5Å
615	F	70.7	Confident	64.5	Low	120 Å²	120	67.8 Å²	67.8	53%	0.526	35%	0.346	S	S	.	.			trans	-88.3	6.1	174.1	-61.2	-84.6	0	0	0	112.8	L613 P617 Y618 K619 P650	L613-F615 HydrophobicContact CB-CE2 3.95Å; L613-F615 HydrophobicContact CB-CZ 4.01Å; L613-F615 WeakPolarHBondContact O-CD2 3.24Å; L613-F615 WeakPolarHBondContact O-CE2 3.43Å; L613-F615 PolarHBondContact O-N 3.15Å; F615-P617 VanDerWaalsContact C-N 3.28Å; F615-Y618 HydrophobicContact CB-CD2 4.21Å; F615-Y618 AromaticContact CD1-CD2 3.54Å; F615-Y618 HydrophobicContact CD1-CD2 3.54Å; F615-Y618 AromaticContact CD1-CE2 3.78Å; F615-Y618 HydrophobicContact CD1-CE2 3.78Å; F615-Y618 HydrophobicContact CD1-CG 4.43Å; F615-Y618 HydrophobicContact CE1-CD2 4.41Å; F615-Y618 HydrophobicContact CE1-CE2 4.23Å; F615-Y618 HydrophobicContact CG-CD2 4.32Å; F615-Y618 WeakPolarHBondContact O-CB 3.4Å; F615-Y618 PolarHBondContact O-N 3.38Å; F615-K619 PolarHBondContact O-N 3.15Å; F615-P650 HydrophobicContact CD1-CB 4.44Å; F615-P650 HydrophobicContact CE1-CB 4.23Å; F615-P650 HydrophobicContact CE1-CG 4.24Å
616	S	73.1	Confident	65.3	Low	53 Å²	53	71.3 Å²	71.3	37%	0.371	35%	0.353	S	S	.	.	H	α-helix	trans	-52.6	-38.8	172.3	-60.7	0	0	0	0	113.3	D614 K619 N620	D614-S616 VanDerWaalsContact C-N 3.3Å; D614-S616 WeakPolarHBondContact OD1-CB 3.19Å; D614-S616 PolarHBondContact OD1-N 2.98Å; D614-S616 PolarHBondContact OD1-OG 3.11Å; D614-S616 WeakPolarHBondContact OD2-CB 3.48Å; D614-S616 PolarHBondContact OD2-OG 3.13Å; S616-K619 PolarHBondContact O-N 2.93Å; S616-N620 WeakPolarHBondContact O-CB 3.42Å; S616-N620 PolarHBondContact O-N 2.86Å; S616-N620 PolarHBondContact O-ND2 3.14Å
617	P	70.8	Confident	65.9	Low	19 Å²	19	78 Å²	78	12%	0.123	39%	0.385	C	S	.	.	H	α-helix	trans	-58.2	-48.4	171.8	-21.9	33.3	0	0	0	111.9	D614 F615 K619 N620 V621 E648	D614-P617 WeakPolarHBondContact O-CD 3.29Å; F615-P617 VanDerWaalsContact C-N 3.28Å; P617-K619 VanDerWaalsContact C-N 3.34Å; P617-K619 PolarHBondContact O-N 3.42Å; P617-N620 PolarHBondContact O-N 3.38Å; P617-N620 VanDerWaalsContact O-N 3.16Å; P617-V621 VanDerWaalsContact O-CG2 3.29Å; P617-V621 WeakPolarHBondContact O-CG2 3.33Å; P617-V621 PolarHBondContact O-N 2.84Å; P617-E648 HydrophobicContact CB-CG 4.12Å
618	Y	72.8	Confident	66.6	Low	45 Å²	45	81.6 Å²	81.6	18%	0.176	40%	0.4	C	S	.	.	H	α-helix	trans	-61.9	-39.9	175.8	-68	-81.7	0	0	0	112.6	F615 N620 V621 A622 F645 E648 P650	F615-Y618 HydrophobicContact CB-CD2 4.21Å; F615-Y618 AromaticContact CD1-CD2 3.54Å; F615-Y618 HydrophobicContact CD1-CD2 3.54Å; F615-Y618 AromaticContact CD1-CE2 3.78Å; F615-Y618 HydrophobicContact CD1-CE2 3.78Å; F615-Y618 HydrophobicContact CD1-CG 4.43Å; F615-Y618 HydrophobicContact CE1-CD2 4.41Å; F615-Y618 HydrophobicContact CE1-CE2 4.23Å; F615-Y618 HydrophobicContact CG-CD2 4.32Å; F615-Y618 WeakPolarHBondContact O-CB 3.4Å; F615-Y618 PolarHBondContact O-N 3.38Å; Y618-N620 VanDerWaalsContact C-N 3.3Å; Y618-N620 PolarHBondContact O-N 3.36Å; Y618-V621 PolarHBondContact O-N 2.95Å; Y618-A622 WeakPolarHBondContact O-CB 3.39Å; Y618-A622 PolarHBondContact O-N 3.41Å; Y618-F645 AromaticContact CD1-CD2 3.9Å; Y618-F645 HydrophobicContact CD1-CD2 3.9Å; Y618-F645 AromaticContact CD1-CE2 3.69Å; Y618-F645 HydrophobicContact CD1-CE2 3.69Å; Y618-F645 HydrophobicContact CD1-CG 4.48Å; Y618-F645 HydrophobicContact CD1-CZ 4.1Å; Y618-F645 VanDerWaalsContact CE1-O 3.28Å; Y618-F645 WeakPolarHBondContact CE1-O 3.18Å; Y618-F645 HydrophobicContact CG-CE2 4.35Å; Y618-E648 WeakPolarHBondContact CE1-O 3.21Å; Y618-E648 PolarHBondContact OH-O 2.97Å; Y618-P650 HydrophobicContact CE2-CB 3.75Å; Y618-P650 HydrophobicContact CE2-CG 3.76Å; Y618-P650 VanDerWaalsContact OH-CD 3.25Å; Y618-P650 WeakPolarHBondContact OH-CD 3.2Å
619	K	73.4	Confident	66.8	Low	122 Å²	122	89.3 Å²	89.3	53%	0.53	43%	0.432	S	S	.	.	H	α-helix	trans	-62.4	-40.1	175.8	-177.1	179.9	178.8	177.9	0	111.3	F615 S616 P617 R623	F615-K619 PolarHBondContact O-N 3.15Å; S616-K619 PolarHBondContact O-N 2.93Å; P617-K619 VanDerWaalsContact C-N 3.34Å; P617-K619 PolarHBondContact O-N 3.42Å; K619-R623 WeakPolarHBondContact O-CB 3.37Å; K619-R623 PolarHBondContact O-N 2.8Å
620	N	72.7	Confident	67.1	Low	93 Å²	93	85.5 Å²	85.5	50%	0.497	43%	0.43	S	S	.	.	H	α-helix	trans	-71.2	-41.9	177.9	-66.9	-21.7	0	0	0	111.5	S616 P617 Y618 R623 S624	S616-N620 WeakPolarHBondContact O-CB 3.42Å; S616-N620 PolarHBondContact O-N 2.86Å; S616-N620 PolarHBondContact O-ND2 3.14Å; P617-N620 PolarHBondContact O-N 3.38Å; P617-N620 VanDerWaalsContact O-N 3.16Å; Y618-N620 VanDerWaalsContact C-N 3.3Å; Y618-N620 PolarHBondContact O-N 3.36Å; N620-R623 PolarHBondContact O-N 3.27Å; N620-S624 WeakPolarHBondContact O-CB 3.42Å; N620-S624 PolarHBondContact O-N 3.47Å
621	V	71.9	Confident	67.4	Low	12 Å²	12	88 Å²	88	7%	0.073	45%	0.451	C	S	.	.	H	α-helix	trans	-66.6	-42.4	175.1	176.9	0	0	0	0	110.8	P617 Y618 S624 I625 R644 F645	P617-V621 VanDerWaalsContact O-CG2 3.29Å; P617-V621 WeakPolarHBondContact O-CG2 3.33Å; P617-V621 PolarHBondContact O-N 2.84Å; Y618-V621 PolarHBondContact O-N 2.95Å; V621-S624 CarbonylContact O-C 3.6Å; V621-S624 WeakPolarHBondContact O-CA 3.37Å; V621-S624 WeakPolarHBondContact O-CB 3.28Å; V621-S624 PolarHBondContact O-N 3.49Å; V621-S624 VanDerWaalsContact O-N 3.14Å; V621-I625 HydrophobicContact CG1-CD1 4.12Å; V621-I625 VanDerWaalsContact O-CG1 3.32Å; V621-I625 WeakPolarHBondContact O-CG1 3.39Å; V621-I625 PolarHBondContact O-N 3.42Å; V621-R644 HydrophobicContact CG1-CB 4.49Å; V621-R644 HydrophobicContact CG1-CG 4.43Å; V621-R644 HydrophobicContact CG2-CG 4.34Å; V621-F645 HydrophobicContact CB-CD2 4.48Å; V621-F645 HydrophobicContact CG1-CB 3.83Å; V621-F645 HydrophobicContact CG1-CD2 4.17Å
622	A	72.3	Confident	67.7	Low	41 Å²	41	83.9 Å²	83.9	34%	0.339	43%	0.43	S	S	.	.	H	α-helix	trans	-64.9	-40.2	175.1	0	0	0	0	0	111.9	Y618 S624 I625 W626 F645	Y618-A622 WeakPolarHBondContact O-CB 3.39Å; Y618-A622 PolarHBondContact O-N 3.41Å; A622-S624 VanDerWaalsContact C-N 3.33Å; A622-I625 PolarHBondContact O-N 2.87Å; A622-W626 WeakPolarHBondContact O-CB 3.07Å; A622-W626 PolarHBondContact O-N 2.88Å; A622-F645 HydrophobicContact CB-CE2 4.24Å
623	R	70.9	Confident	67.6	Low	132 Å²	132	84.5 Å²	84.5	50%	0.498	43%	0.43	S	S	.	.	H	α-helix	trans	-59.5	-44.2	168.8	-91.9	-166.6	-168.2	137.3	-6	111.3	K619 N620 I625 W626 E627	K619-R623 WeakPolarHBondContact O-CB 3.37Å; K619-R623 PolarHBondContact O-N 2.8Å; N620-R623 PolarHBondContact O-N 3.27Å; R623-I625 PolarHBondContact O-N 3.31Å; R623-W626 PolarHBondContact O-N 2.89Å; R623-E627 VanDerWaalsContact O-CB 3.3Å; R623-E627 WeakPolarHBondContact O-CB 3.16Å; R623-E627 VanDerWaalsContact O-CG 3.26Å; R623-E627 WeakPolarHBondContact O-CG 3.36Å; R623-E627 PolarHBondContact O-N 3.47Å
624	S	69.5	Low	67.3	Low	44 Å²	44	88.9 Å²	88.9	31%	0.308	45%	0.446	S	S	.	.	H	α-helix	trans	-61.4	-41.8	176.6	154	0	0	0	0	112.3	N620 V621 A622 W626 Q628	N620-S624 WeakPolarHBondContact O-CB 3.42Å; N620-S624 PolarHBondContact O-N 3.47Å; V621-S624 CarbonylContact O-C 3.6Å; V621-S624 WeakPolarHBondContact O-CA 3.37Å; V621-S624 WeakPolarHBondContact O-CB 3.28Å; V621-S624 PolarHBondContact O-N 3.49Å; V621-S624 VanDerWaalsContact O-N 3.14Å; A622-S624 VanDerWaalsContact C-N 3.33Å; S624-W626 VanDerWaalsContact C-N 3.33Å; S624-Q628 VanDerWaalsContact O-CB 3.3Å; S624-Q628 WeakPolarHBondContact O-CB 3.2Å; S624-Q628 PolarHBondContact O-N 3.03Å
625	I	69.7	Low	67.2	Low	40 Å²	40	88.8 Å²	88.8	21%	0.205	45%	0.448	C	S	.	.	H	α-helix	trans	-62.5	-42.3	173.9	-69	164.8	0	0	0	110.7	V621 A622 R623 Q628 L633 A641 F645	V621-I625 HydrophobicContact CG1-CD1 4.12Å; V621-I625 VanDerWaalsContact O-CG1 3.32Å; V621-I625 WeakPolarHBondContact O-CG1 3.39Å; V621-I625 PolarHBondContact O-N 3.42Å; A622-I625 PolarHBondContact O-N 2.87Å; R623-I625 PolarHBondContact O-N 3.31Å; I625-Q628 CarbonylContact O-C 3.41Å; I625-L633 HydrophobicContact CG2-CD2 3.67Å; I625-A641 HydrophobicContact CD1-CB 4.36Å; I625-A641 HydrophobicContact CG1-CB 3.52Å; I625-F645 HydrophobicContact CD1-CB 3.89Å; I625-F645 HydrophobicContact CD1-CD2 4.34Å; I625-F645 HydrophobicContact CD1-CG 4.26Å
626	W	72.4	Confident	66.6	Low	221 Å²	221	91.4 Å²	91.4	84%	0.837	47%	0.467	S	S	*	.	H	α-helix	trans	-70.8	-41	-179.1	-174.2	-88	0	0	0	112.5	A622 R623 S624	A622-W626 WeakPolarHBondContact O-CB 3.07Å; A622-W626 PolarHBondContact O-N 2.88Å; R623-W626 PolarHBondContact O-N 2.89Å; S624-W626 VanDerWaalsContact C-N 3.33Å
627	E	70.3	Confident	66	Low	142 Å²	142	92 Å²	92	66%	0.664	47%	0.466	S	S	*	.	H	α-helix	trans	-68.9	-40.3	177	-74	170.7	-167.7	0	0	111.1	R623 K629	R623-E627 VanDerWaalsContact O-CB 3.3Å; R623-E627 WeakPolarHBondContact O-CB 3.16Å; R623-E627 VanDerWaalsContact O-CG 3.26Å; R623-E627 WeakPolarHBondContact O-CG 3.36Å; R623-E627 PolarHBondContact O-N 3.47Å; E627-K629 VanDerWaalsContact C-N 3.33Å; E627-K629 PolarHBondContact O-N 3.47Å; E627-K629 VanDerWaalsContact O-N 3.07Å
628	Q	64	Low	65.5	Low	110 Å²	110	101.3 Å²	101.3	51%	0.514	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	77.4	170.1	-72.8	-178	-24.2	0	0	110.5	S624 I625 G630	S624-Q628 VanDerWaalsContact O-CB 3.3Å; S624-Q628 WeakPolarHBondContact O-CB 3.2Å; S624-Q628 PolarHBondContact O-N 3.03Å; I625-Q628 CarbonylContact O-C 3.41Å; Q628-G630 VanDerWaalsContact C-N 3.3Å; Q628-G630 PolarHBondContact O-N 3.39Å
629	K	59.8	Low	65	Low	188 Å²	188	106.8 Å²	106.8	82%	0.817	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.1	79.2	175.8	-67.1	-179.6	176.2	178.8	0	115.2	E627 T631	E627-K629 VanDerWaalsContact C-N 3.33Å; E627-K629 PolarHBondContact O-N 3.47Å; E627-K629 VanDerWaalsContact O-N 3.07Å; K629-T631 PolarHBondContact O-N 2.99Å
630	G	58.3	Low	64.7	Low	51 Å²	51	101.3 Å²	101.3	53%	0.526	51%	0.508	S	S	.	.	S	Bend	trans	66.5	-4.3	167.2	0	0	0	0	0	118	Q628 G632	Q628-G630 VanDerWaalsContact C-N 3.3Å; Q628-G630 PolarHBondContact O-N 3.39Å; G630-G632 VanDerWaalsContact C-N 3.25Å; G630-G632 PolarHBondContact O-N 2.65Å; G630-G632 VanDerWaalsContact O-N 3.16Å
631	T	61.7	Low	64.3	Low	132 Å²	132	97.3 Å²	97.3	81%	0.81	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	10.1	-170.7	54.4	0	0	0	0	115.4	K629	K629-T631 PolarHBondContact O-N 2.99Å
632	G	60.7	Low	64	Low	22 Å²	22	99.8 Å²	99.8	23%	0.227	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-150.5	11.4	-176	0	0	0	0	0	115.9	G630 F634 N640	G630-G632 VanDerWaalsContact C-N 3.25Å; G630-G632 PolarHBondContact O-N 2.65Å; G630-G632 VanDerWaalsContact O-N 3.16Å; G632-F634 VanDerWaalsContact C-N 3.28Å; G632-F634 PolarHBondContact O-N 2.69Å; G632-N640 PolarHBondContact O-OD1 3.45Å
633	L	57	Low	63.7	Low	52 Å²	52	100.8 Å²	100.8	27%	0.272	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.4	-175.2	-69.4	172.4	0	0	0	113.9	I625 N640 L642	I625-L633 HydrophobicContact CG2-CD2 3.67Å; L633-N640 PolarHBondContact O-ND2 2.76Å; L633-N640 PolarHBondContact O-OD1 2.91Å; L633-N640 VanDerWaalsContact O-OD1 3.09Å; L633-L642 HydrophobicContact CD2-CB 4.38Å; L633-L642 HydrophobicContact CD2-CD1 4.25Å
634	F	59.6	Low	63.5	Low	183 Å²	183	101.5 Å²	101.5	80%	0.803	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	11.6	-172	-60.8	-68.1	0	0	0	114.6	G632 L636	G632-F634 VanDerWaalsContact C-N 3.28Å; G632-F634 PolarHBondContact O-N 2.69Å; F634-L636 PolarHBondContact O-N 2.93Å
635	S	60.7	Low	63.5	Low	42 Å²	42	103 Å²	103	29%	0.294	50%	0.504	S	S	.	.			trans	-67.5	130.5	174	60	0	0	0	0	109.4	N637 N640	S635-N637 WeakPolarHBondContact CB-OD1 3.25Å; S635-N637 PolarHBondContact O-N 3.26Å; S635-N637 PolarHBondContact OG-OD1 3.43Å; S635-N640 PolarHBondContact N-ND2 3.31Å; S635-N640 WeakPolarHBondContact O-CB 3.34Å; S635-N640 VanDerWaalsContact O-CG 3.26Å; S635-N640 PolarHBondContact O-ND2 2.77Å
636	L	56.3	Low	63.5	Low	175 Å²	175	107 Å²	107	92%	0.916	53%	0.525	S	S	*	.			trans	-80.5	20.6	179.9	-74.3	156.1	0	0	0	112.5	F634	F634-L636 PolarHBondContact O-N 2.93Å
637	N	61.7	Low	63.4	Low	66 Å²	66	102.7 Å²	102.7	35%	0.353	52%	0.518	S	S	.	.	S	Bend	trans	-99.7	163.7	-178.5	72.9	-7.9	0	0	0	111.3	S635 E639 N640	S635-N637 WeakPolarHBondContact CB-OD1 3.25Å; S635-N637 PolarHBondContact O-N 3.26Å; S635-N637 PolarHBondContact OG-OD1 3.43Å; N637-E639 PolarHBondContact ND2-OE2 2.63Å; N637-E639 PolarHBondContact O-N 2.6Å; N637-E639 PolarHBondContact OD1-N 2.83Å; N637-N640 WeakPolarHBondContact O-CB 3.2Å; N637-N640 PolarHBondContact O-N 2.84Å; N637-N640 PolarHBondContact OD1-N 3.14Å
638	K	60	Low	63.3	Low	214 Å²	214	98.6 Å²	98.6	93%	0.93	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-9.8	177.6	-71.1	-174.9	177.4	-178.3	0	114.2
639	E	61.7	Low	63.5	Low	160 Å²	160	98.2 Å²	98.2	75%	0.748	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.4	179.4	-56.2	178.1	153.3	0	0	113	N637 A641	N637-E639 PolarHBondContact ND2-OE2 2.63Å; N637-E639 PolarHBondContact O-N 2.6Å; N637-E639 PolarHBondContact OD1-N 2.83Å; E639-A641 PolarHBondContact O-N 3.13Å
640	N	67.2	Low	63.7	Low	8 Å²	8	91 Å²	91	4%	0.043	48%	0.476	C	S	.	.			trans	-64.7	115.4	179.6	-175.2	-25.5	0	0	0	110.4	G632 L633 S635 N637 L642 L643 R644	G632-N640 PolarHBondContact O-OD1 3.45Å; L633-N640 PolarHBondContact O-ND2 2.76Å; L633-N640 PolarHBondContact O-OD1 2.91Å; L633-N640 VanDerWaalsContact O-OD1 3.09Å; S635-N640 PolarHBondContact N-ND2 3.31Å; S635-N640 WeakPolarHBondContact O-CB 3.34Å; S635-N640 VanDerWaalsContact O-CG 3.26Å; S635-N640 PolarHBondContact O-ND2 2.77Å; N637-N640 WeakPolarHBondContact O-CB 3.2Å; N637-N640 PolarHBondContact O-N 2.84Å; N637-N640 PolarHBondContact OD1-N 3.14Å; N640-L642 PolarHBondContact O-N 3.02Å; N640-L642 WeakPolarHBondContact OD1-CA 3.16Å; N640-L642 VanDerWaalsContact OD1-CB 3.31Å; N640-L642 WeakPolarHBondContact OD1-CB 3.21Å; N640-L642 PolarHBondContact OD1-N 2.93Å; N640-L643 HydrophobicContact CB-CB 3.96Å; N640-L643 HydrophobicContact CB-CD1 3.98Å; N640-L643 HydrophobicContact CB-CG 3.97Å; N640-L643 PolarHBondContact O-N 3.41Å; N640-L643 VanDerWaalsContact O-N 3.13Å; N640-L643 PolarHBondContact OD1-N 2.61Å; N640-R644 WeakPolarHBondContact O-CB 3.4Å; N640-R644 PolarHBondContact O-N 3.2Å
641	A	65.4	Low	64.1	Low	9 Å²	9	92.8 Å²	92.8	7%	0.074	47%	0.474	C	S	.	.	H	α-helix	trans	-62.6	-28.2	-177.6	0	0	0	0	0	112.3	I625 E639 F645	I625-A641 HydrophobicContact CD1-CB 4.36Å; I625-A641 HydrophobicContact CG1-CB 3.52Å; E639-A641 PolarHBondContact O-N 3.13Å; A641-F645 WeakPolarHBondContact O-CB 3.31Å; A641-F645 PolarHBondContact O-N 3.3Å
642	L	64.3	Low	64.1	Low	64 Å²	64	89.9 Å²	89.9	34%	0.335	46%	0.463	S	S	.	.	H	α-helix	trans	-75.4	-41.7	174.3	-166.6	147.7	0	0	0	111.6	L633 N640 R644 F645 L646	L633-L642 HydrophobicContact CD2-CB 4.38Å; L633-L642 HydrophobicContact CD2-CD1 4.25Å; N640-L642 PolarHBondContact O-N 3.02Å; N640-L642 WeakPolarHBondContact OD1-CA 3.16Å; N640-L642 VanDerWaalsContact OD1-CB 3.31Å; N640-L642 WeakPolarHBondContact OD1-CB 3.21Å; N640-L642 PolarHBondContact OD1-N 2.93Å; L642-R644 VanDerWaalsContact C-N 3.29Å; L642-R644 PolarHBondContact O-N 3.44Å; L642-F645 PolarHBondContact O-N 3.22Å; L642-L646 HydrophobicContact CD2-CD1 3.6Å; L642-L646 HydrophobicContact CD2-CG 4.16Å; L642-L646 WeakPolarHBondContact O-CG 3.3Å; L642-L646 PolarHBondContact O-N 2.62Å
643	L	66.8	Low	64.1	Low	62 Å²	62	92.4 Å²	92.4	33%	0.325	47%	0.47	S	S	.	.	H	α-helix	trans	-61	-43.3	170.2	-73	179.4	0	0	0	110.1	N640 F645 L646 L647	N640-L643 HydrophobicContact CB-CB 3.96Å; N640-L643 HydrophobicContact CB-CD1 3.98Å; N640-L643 HydrophobicContact CB-CG 3.97Å; N640-L643 PolarHBondContact O-N 3.41Å; N640-L643 VanDerWaalsContact O-N 3.13Å; N640-L643 PolarHBondContact OD1-N 2.61Å; L643-F645 VanDerWaalsContact C-N 3.34Å; L643-F645 PolarHBondContact O-N 3.03Å; L643-L646 CarbonylContact O-C 3.59Å; L643-L646 PolarHBondContact O-N 2.92Å; L643-L646 VanDerWaalsContact O-N 3.15Å; L643-L647 HydrophobicContact CB-CD1 4.03Å; L643-L647 WeakPolarHBondContact O-CB 3.33Å; L643-L647 WeakPolarHBondContact O-CD1 3.15Å; L643-L647 PolarHBondContact O-N 2.95Å
644	R	66.4	Low	64	Low	147 Å²	147	94.4 Å²	94.4	56%	0.555	48%	0.481	S	S	*	.	H	α-helix	trans	-58.6	-45.6	174	-168.2	173	-173	149.6	1.9	111.2	V621 N640 L642 L646 L647 E648	V621-R644 HydrophobicContact CG1-CB 4.49Å; V621-R644 HydrophobicContact CG1-CG 4.43Å; V621-R644 HydrophobicContact CG2-CG 4.34Å; N640-R644 WeakPolarHBondContact O-CB 3.4Å; N640-R644 PolarHBondContact O-N 3.2Å; L642-R644 VanDerWaalsContact C-N 3.29Å; L642-R644 PolarHBondContact O-N 3.44Å; R644-L646 VanDerWaalsContact C-N 3.31Å; R644-L646 PolarHBondContact O-N 2.78Å; R644-L647 PolarHBondContact O-N 2.86Å; R644-E648 WeakPolarHBondContact CG-OE2 3.5Å; R644-E648 IonicContact CZ-OE2 3.97Å; R644-E648 IonicContact NE-OE2 2.78Å; R644-E648 PolarHBondContact NE-OE2 3.4Å; R644-E648 IonicContact NH2-OE2 3.25Å; R644-E648 WeakPolarHBondContact O-CB 3.42Å; R644-E648 PolarHBondContact O-N 3.39Å
645	F	69.1	Low	64	Low	76 Å²	76	89 Å²	89	33%	0.333	46%	0.46	S	S	.	.	H	α-helix	trans	-61.9	-35.3	175.3	-175.1	-94.6	0	0	0	113.4	Y618 V621 A622 I625 A641 L642 L643	Y618-F645 AromaticContact CD1-CD2 3.9Å; Y618-F645 HydrophobicContact CD1-CD2 3.9Å; Y618-F645 AromaticContact CD1-CE2 3.69Å; Y618-F645 HydrophobicContact CD1-CE2 3.69Å; Y618-F645 HydrophobicContact CD1-CG 4.48Å; Y618-F645 HydrophobicContact CD1-CZ 4.1Å; Y618-F645 VanDerWaalsContact CE1-O 3.28Å; Y618-F645 WeakPolarHBondContact CE1-O 3.18Å; Y618-F645 HydrophobicContact CG-CE2 4.35Å; V621-F645 HydrophobicContact CB-CD2 4.48Å; V621-F645 HydrophobicContact CG1-CB 3.83Å; V621-F645 HydrophobicContact CG1-CD2 4.17Å; A622-F645 HydrophobicContact CB-CE2 4.24Å; I625-F645 HydrophobicContact CD1-CB 3.89Å; I625-F645 HydrophobicContact CD1-CD2 4.34Å; I625-F645 HydrophobicContact CD1-CG 4.26Å; A641-F645 WeakPolarHBondContact O-CB 3.31Å; A641-F645 PolarHBondContact O-N 3.3Å; L642-F645 PolarHBondContact O-N 3.22Å; L643-F645 VanDerWaalsContact C-N 3.34Å; L643-F645 PolarHBondContact O-N 3.03Å
646	L	70.4	Confident	63.8	Low	124 Å²	124	91.7 Å²	91.7	65%	0.649	47%	0.468	S	S	*	.	H	α-helix	trans	-80	-28.8	177.2	-69	177.2	0	0	0	113.6	L642 L643 R644	L642-L646 HydrophobicContact CD2-CD1 3.6Å; L642-L646 HydrophobicContact CD2-CG 4.16Å; L642-L646 WeakPolarHBondContact O-CG 3.3Å; L642-L646 PolarHBondContact O-N 2.62Å; L643-L646 CarbonylContact O-C 3.59Å; L643-L646 PolarHBondContact O-N 2.92Å; L643-L646 VanDerWaalsContact O-N 3.15Å; R644-L646 VanDerWaalsContact C-N 3.31Å; R644-L646 PolarHBondContact O-N 2.78Å
647	L	70.5	Confident	64	Low	130 Å²	130	85.9 Å²	85.9	68%	0.681	44%	0.437	S	S	*	.	H	α-helix	trans	-95.1	-25.9	-176.9	-84	141.1	0	0	0	113.6	L643 R644 T649	L643-L647 HydrophobicContact CB-CD1 4.03Å; L643-L647 WeakPolarHBondContact O-CB 3.33Å; L643-L647 WeakPolarHBondContact O-CD1 3.15Å; L643-L647 PolarHBondContact O-N 2.95Å; R644-L647 PolarHBondContact O-N 2.86Å; L647-T649 PolarHBondContact O-N 3.31Å; L647-T649 VanDerWaalsContact O-N 3.14Å
648	E	68.3	Low	64.3	Low	56 Å²	56	84.3 Å²	84.3	26%	0.262	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-64.1	117	174.6	-152.8	100.4	-160.7	0	0	106.3	P617 Y618 R644	P617-E648 HydrophobicContact CB-CG 4.12Å; Y618-E648 WeakPolarHBondContact CE1-O 3.21Å; Y618-E648 PolarHBondContact OH-O 2.97Å; R644-E648 WeakPolarHBondContact CG-OE2 3.5Å; R644-E648 IonicContact CZ-OE2 3.97Å; R644-E648 IonicContact NE-OE2 2.78Å; R644-E648 PolarHBondContact NE-OE2 3.4Å; R644-E648 IonicContact NH2-OE2 3.25Å; R644-E648 WeakPolarHBondContact O-CB 3.42Å; R644-E648 PolarHBondContact O-N 3.39Å
649	T	66.8	Low	65	Low	102 Å²	102	74.2 Å²	74.2	63%	0.626	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-84.7	146.2	174.6	42.3	0	0	0	0	108.1	L647 N651	L647-T649 PolarHBondContact O-N 3.31Å; L647-T649 VanDerWaalsContact O-N 3.14Å; T649-N651 PolarHBondContact O-N 3.47Å
650	P	64.1	Low	65.6	Low	37 Å²	37	70.6 Å²	70.6	24%	0.24	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-63.7	133.4	175.7	2.1	10	0	0	0	108.5	L613 F615 Y618 A652	L613-P650 HydrophobicContact CB-CB 3.91Å; L613-P650 HydrophobicContact CD1-CG 4.37Å; L613-P650 HydrophobicContact CD2-CB 4.01Å; L613-P650 HydrophobicContact CD2-CG 4.35Å; L613-P650 HydrophobicContact CG-CB 4.35Å; F615-P650 HydrophobicContact CD1-CB 4.44Å; F615-P650 HydrophobicContact CE1-CB 4.23Å; F615-P650 HydrophobicContact CE1-CG 4.24Å; Y618-P650 HydrophobicContact CE2-CB 3.75Å; Y618-P650 HydrophobicContact CE2-CG 3.76Å; Y618-P650 VanDerWaalsContact OH-CD 3.25Å; Y618-P650 WeakPolarHBondContact OH-CD 3.2Å; P650-A652 PolarHBondContact O-N 3.44Å
651	N	68.3	Low	66.1	Low	88 Å²	88	78.2 Å²	78.2	47%	0.471	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	120.3	174.3	-70.4	-23.5	0	0	0	108	D614 T649 I653	D614-N651 PolarHBondContact N-O 3.16Å; T649-N651 PolarHBondContact O-N 3.47Å; N651-I653 PolarHBondContact O-N 2.93Å
652	A	61.3	Low	66.8	Low	70 Å²	70	80.8 Å²	80.8	58%	0.579	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	114.7	167.1	0	0	0	0	0	108.1	L613 P650	L613-A652 HydrophobicContact CD2-CB 4.16Å; P650-A652 PolarHBondContact O-N 3.44Å
653	I	60.6	Low	67.9	Low	76 Å²	76	78 Å²	78	39%	0.39	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.5	171.3	-57.5	-174.4	0	0	0	107.1	S612 D614 N651 I655	S612-I653 PolarHBondContact N-O 2.94Å; S612-I653 PolarHBondContact O-N 3.02Å; S612-I653 VanDerWaalsContact O-O 3.12Å; S612-I653 PolarHBondContact OG-O 2.88Å; D614-I653 HydrophobicContact CB-CD1 3.43Å; D614-I653 VanDerWaalsContact CB-CD1 3.43Å; D614-I653 HydrophobicContact CB-CG1 3.79Å; D614-I653 WeakPolarHBondContact OD2-CD1 3.5Å; N651-I653 PolarHBondContact O-N 2.93Å; I653-I655 HydrophobicContact CG2-CG1 4.22Å; I653-I655 PolarHBondContact O-N 3.48Å; I653-I655 VanDerWaalsContact O-N 3.15Å
654	D	54.7	Low	68.8	Low	94 Å²	94	78 Å²	78	50%	0.503	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	102.6	170.9	-64.4	-12.1	0	0	0	107.9	T611 E656	T611-D654 WeakPolarHBondContact CG2-OD1 3.38Å; D654-E656 PolarHBondContact O-N 2.93Å
655	I	59.2	Low	69.9	Low	70 Å²	70	74.2 Å²	74.2	36%	0.359	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	108.5	172.4	-57.4	-179.7	0	0	0	106.7	E610 S612 I653 L657	E610-I655 PolarHBondContact N-O 3.35Å; E610-I655 PolarHBondContact O-N 3.43Å; S612-I655 WeakPolarHBondContact OG-CD1 3.39Å; S612-I655 WeakPolarHBondContact OG-CG1 3.45Å; I653-I655 HydrophobicContact CG2-CG1 4.22Å; I653-I655 PolarHBondContact O-N 3.48Å; I653-I655 VanDerWaalsContact O-N 3.15Å; I655-L657 HydrophobicContact CG2-CD1 3.58Å; I655-L657 PolarHBondContact O-N 2.96Å; I655-L657 VanDerWaalsContact O-N 3.13Å
656	E	57.6	Low	70.9	Confident	98 Å²	98	73.1 Å²	73.1	46%	0.458	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	96.2	167.2	-75.9	179.8	-178.7	0	0	108.8	L607 K609 D654	L607-E656 HydrophobicContact CD1-CB 3.88Å; L607-E656 HydrophobicContact CD1-CG 4.42Å; L607-E656 HydrophobicContact CD2-CG 4.44Å; L607-E656 HydrophobicContact CG-CB 4.19Å; L607-E656 HydrophobicContact CG-CG 4.38Å; K609-E656 WeakPolarHBondContact CE-OE1 3.48Å; K609-E656 HydrophobicContact CG-CG 3.87Å; K609-E656 IonicContact NZ-OE1 3.89Å; K609-E656 PolarHBondContact NZ-OE1 3.36Å; D654-E656 PolarHBondContact O-N 2.93Å
657	L	58.7	Low	71.9	Confident	52 Å²	52	68.1 Å²	68.1	27%	0.272	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.4	-179.5	-138.9	97.4	0	0	0	109.4	Q558 L607 V608 I655	Q558-L657 HydrophobicContact CG-CD2 4.44Å; L607-L657 CarbonylContact C-O 3.58Å; L607-L657 WeakPolarHBondContact CA-O 3.36Å; V608-L657 PolarHBondContact N-O 3.41Å; V608-L657 PolarHBondContact O-N 3.32Å; I655-L657 HydrophobicContact CG2-CD1 3.58Å; I655-L657 PolarHBondContact O-N 2.96Å; I655-L657 VanDerWaalsContact O-N 3.13Å
658	D	69.4	Low	72.9	Confident	33 Å²	33	68 Å²	68	18%	0.176	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.2	176.4	-178.5	-5.8	0	0	0	110.2	F606 L607 R660 R661 Q662	F606-D658 WeakPolarHBondContact O-CA 3.48Å; L607-D658 HydrophobicContact CD1-CB 4.26Å; D658-R660 PolarHBondContact O-N 2.91Å; D658-R660 WeakPolarHBondContact OD1-CB 3.44Å; D658-R660 PolarHBondContact OD1-N 2.86Å; D658-R661 HydrophobicContact CB-CB 3.97Å; D658-R661 HydrophobicContact CB-CG 3.94Å; D658-R661 PolarHBondContact O-N 2.97Å; D658-R661 VanDerWaalsContact O-N 3.16Å; D658-R661 WeakPolarHBondContact OD2-CG 3.36Å; D658-R661 IonicContact OD2-NE 2.93Å; D658-Q662 PolarHBondContact O-N 3.47Å
659	S	73.6	Confident	74.2	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-29.6	-179.9	74.3	0	0	0	0	112.6	F606 Q662 L663	F606-S659 WeakPolarHBondContact CB-OG 3.3Å; F606-S659 VanDerWaalsContact CG-OG 3.25Å; F606-S659 WeakPolarHBondContact CG-OG 3.34Å; F606-S659 PolarHBondContact O-N 2.8Å; S659-Q662 PolarHBondContact O-N 3.31Å; S659-L663 WeakPolarHBondContact O-CB 3.23Å; S659-L663 PolarHBondContact O-N 3.12Å
660	R	75.3	Confident	75.4	Confident	83 Å²	83	67 Å²	67	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-69.4	-42.7	175.5	-68.3	179.3	171.6	172.9	-2.9	110.6	M599 F606 D658 Q662 L663 D664	M599-R660 PolarHBondContact O-NH2 2.94Å; F606-R660 HydrophobicContact CD2-CG 4.16Å; D658-R660 PolarHBondContact O-N 2.91Å; D658-R660 WeakPolarHBondContact OD1-CB 3.44Å; D658-R660 PolarHBondContact OD1-N 2.86Å; R660-Q662 VanDerWaalsContact C-N 3.31Å; R660-Q662 PolarHBondContact O-N 3.45Å; R660-L663 PolarHBondContact O-N 3.34Å; R660-D664 VanDerWaalsContact O-CB 3.31Å; R660-D664 WeakPolarHBondContact O-CB 3.12Å; R660-D664 PolarHBondContact O-N 3.24Å
661	R	78.4	Confident	76.8	Confident	169 Å²	169	66.3 Å²	66.3	64%	0.638	33%	0.329	S	S	*	.	H	α-helix	trans	-63.5	-38.4	172.9	-72.4	179.6	-172.6	-176.8	-0.7	111.8	D658 S665	D658-R661 HydrophobicContact CB-CB 3.97Å; D658-R661 HydrophobicContact CB-CG 3.94Å; D658-R661 PolarHBondContact O-N 2.97Å; D658-R661 VanDerWaalsContact O-N 3.16Å; D658-R661 WeakPolarHBondContact OD2-CG 3.36Å; D658-R661 IonicContact OD2-NE 2.93Å; R661-S665 WeakPolarHBondContact O-CB 3.44Å; R661-S665 PolarHBondContact O-N 3.39Å; R661-S665 PolarHBondContact O-OG 2.87Å
662	Q	80.1	Confident	78	Confident	63 Å²	63	67 Å²	67	29%	0.294	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-48.9	174.9	-172.7	-174.9	-3.2	0	0	110.2	S562 D658 S659 R660 D664 S665 Q666	S562-Q662 PolarHBondContact OG-NE2 2.88Å; D658-Q662 PolarHBondContact O-N 3.47Å; S659-Q662 PolarHBondContact O-N 3.31Å; R660-Q662 VanDerWaalsContact C-N 3.31Å; R660-Q662 PolarHBondContact O-N 3.45Å; Q662-D664 PolarHBondContact O-N 3.17Å; Q662-S665 PolarHBondContact O-N 3.07Å; Q662-S665 PolarHBondContact O-OG 2.74Å; Q662-Q666 WeakPolarHBondContact O-CB 3.44Å; Q662-Q666 PolarHBondContact O-N 3.4Å
663	L	85.4	Confident	79.5	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-45.6	178.5	-176.7	62.7	0	0	0	112	V565 L592 L595 R596 S659 R660 Q666 L667	V565-L663 HydrophobicContact CG2-CD1 3.78Å; L592-L663 HydrophobicContact CB-CD1 4.45Å; L592-L663 HydrophobicContact CD2-CD1 3.64Å; L595-L663 HydrophobicContact CD2-CD1 4.05Å; L595-L663 HydrophobicContact CG-CD2 4.28Å; R596-L663 VanDerWaalsContact CA-CD2 3.47Å; R596-L663 HydrophobicContact CB-CD2 3.67Å; R596-L663 HydrophobicContact CB-CG 4.41Å; R596-L663 HydrophobicContact CG-CD2 4.27Å; S659-L663 WeakPolarHBondContact O-CB 3.23Å; S659-L663 PolarHBondContact O-N 3.12Å; R660-L663 PolarHBondContact O-N 3.34Å; L663-Q666 PolarHBondContact O-N 3.1Å; L663-L667 VanDerWaalsContact O-CB 3.3Å; L663-L667 WeakPolarHBondContact O-CB 3.3Å; L663-L667 PolarHBondContact O-N 3Å
664	D	87.3	Confident	81.1	Confident	62 Å²	62	62.6 Å²	62.6	33%	0.332	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-38.8	177.2	-77.7	-20	0	0	0	111.7	R596 R660 Q662 L667 K668	R596-D664 WeakPolarHBondContact CD-OD1 3.41Å; R596-D664 IonicContact CZ-OD1 3.26Å; R596-D664 IonicContact NE-OD1 3.92Å; R596-D664 PolarHBondContact NE-OD1 3.2Å; R596-D664 IonicContact NH2-OD1 3.24Å; R660-D664 VanDerWaalsContact O-CB 3.31Å; R660-D664 WeakPolarHBondContact O-CB 3.12Å; R660-D664 PolarHBondContact O-N 3.24Å; Q662-D664 PolarHBondContact O-N 3.17Å; D664-L667 PolarHBondContact O-N 2.85Å; D664-K668 WeakPolarHBondContact O-CB 3.35Å; D664-K668 PolarHBondContact O-N 2.99Å
665	S	88.3	Confident	82.8	Confident	68 Å²	68	59.4 Å²	59.4	48%	0.476	28%	0.279	S	S	.	.	H	α-helix	trans	-67	-40.4	176.4	71.4	0	0	0	0	111.5	R661 Q662 K668 Y669	R661-S665 WeakPolarHBondContact O-CB 3.44Å; R661-S665 PolarHBondContact O-N 3.39Å; R661-S665 PolarHBondContact O-OG 2.87Å; Q662-S665 PolarHBondContact O-N 3.07Å; Q662-S665 PolarHBondContact O-OG 2.74Å; S665-K668 PolarHBondContact O-N 3.31Å; S665-Y669 VanDerWaalsContact O-CB 3.28Å; S665-Y669 WeakPolarHBondContact O-CB 3.41Å; S665-Y669 PolarHBondContact O-N 2.88Å
666	Q	90.2	Very high	84.3	Confident	52 Å²	52	62.3 Å²	62.3	24%	0.243	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-45.4	175.8	-172.2	67	12.1	0	0	111.1	V565 L592 Q662 L663 K668 Y669 T670	V565-Q666 HydrophobicContact CG1-CB 4.42Å; V565-Q666 HydrophobicContact CG1-CG 3.81Å; L592-Q666 HydrophobicContact CD1-CG 4.14Å; Q662-Q666 WeakPolarHBondContact O-CB 3.44Å; Q662-Q666 PolarHBondContact O-N 3.4Å; L663-Q666 PolarHBondContact O-N 3.1Å; Q666-K668 VanDerWaalsContact C-N 3.35Å; Q666-K668 PolarHBondContact O-N 3.02Å; Q666-Y669 PolarHBondContact O-N 3.15Å; Q666-T670 WeakPolarHBondContact O-CB 3.41Å; Q666-T670 PolarHBondContact O-N 3.36Å; Q666-T670 PolarHBondContact O-OG1 3.33Å
667	L	91.8	Very high	85.9	Confident	20 Å²	20	60.7 Å²	60.7	11%	0.105	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-45.8	176.2	176.7	62.9	0	0	0	111.1	I589 L592 L593 L663 D664 T670 C671	I589-L667 HydrophobicContact CG2-CD1 4.33Å; L592-L667 HydrophobicContact CB-CD1 3.96Å; L592-L667 HydrophobicContact CD1-CB 4.38Å; L592-L667 HydrophobicContact CD1-CD1 4.39Å; L593-L667 HydrophobicContact CD2-CD1 4.31Å; L593-L667 HydrophobicContact CD2-CD2 3.72Å; L593-L667 HydrophobicContact CG-CD1 4.21Å; L593-L667 HydrophobicContact CG-CD2 4.42Å; L663-L667 VanDerWaalsContact O-CB 3.3Å; L663-L667 WeakPolarHBondContact O-CB 3.3Å; L663-L667 PolarHBondContact O-N 3Å; D664-L667 PolarHBondContact O-N 2.85Å; L667-T670 PolarHBondContact O-N 3.18Å; L667-C671 WeakPolarHBondContact O-CB 3.46Å; L667-C671 PolarHBondContact O-N 3.05Å; L667-C671 PolarHBondContact O-SG 3.12Å
668	K	92.6	Very high	87.3	Confident	128 Å²	128	58.4 Å²	58.4	56%	0.557	27%	0.271	S	S	*	.	H	α-helix	trans	-60.9	-47.9	176.4	-179	179	173.7	-176.3	0	111.1	D664 S665 Q666 T670 C671 E672	D664-K668 WeakPolarHBondContact O-CB 3.35Å; D664-K668 PolarHBondContact O-N 2.99Å; S665-K668 PolarHBondContact O-N 3.31Å; Q666-K668 VanDerWaalsContact C-N 3.35Å; Q666-K668 PolarHBondContact O-N 3.02Å; K668-T670 PolarHBondContact O-N 3.27Å; K668-C671 PolarHBondContact O-N 3.48Å; K668-E672 WeakPolarHBondContact CE-OE1 3.37Å; K668-E672 HydrophobicContact CG-CG 4.37Å; K668-E672 IonicContact NZ-OE1 2.76Å; K668-E672 WeakPolarHBondContact O-CB 3.3Å; K668-E672 WeakPolarHBondContact O-CG 3.34Å; K668-E672 PolarHBondContact O-N 3.39Å
669	Y	94	Very high	88.3	Confident	132 Å²	132	57.5 Å²	57.5	52%	0.518	27%	0.267	S	S	.	.	H	α-helix	trans	-58.5	-48	177.5	173	-104.4	0	0	0	111.7	S665 Q666 C671 E672 L673	S665-Y669 VanDerWaalsContact O-CB 3.28Å; S665-Y669 WeakPolarHBondContact O-CB 3.41Å; S665-Y669 PolarHBondContact O-N 2.88Å; Q666-Y669 PolarHBondContact O-N 3.15Å; Y669-C671 PolarHBondContact O-N 2.89Å; Y669-E672 PolarHBondContact O-N 2.85Å; Y669-L673 VanDerWaalsContact O-CB 3.26Å; Y669-L673 WeakPolarHBondContact O-CB 3.3Å; Y669-L673 PolarHBondContact O-N 3.39Å
670	T	92.3	Very high	89	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-40.8	177.5	-57.2	0	0	0	0	111.9	L588 I589 Q666 L667 K668 F674	L588-T670 HydrophobicContact CB-CG2 4.23Å; L588-T670 HydrophobicContact CD2-CG2 3.67Å; L588-T670 HydrophobicContact CG-CG2 3.97Å; I589-T670 HydrophobicContact CD1-CG2 4.41Å; I589-T670 HydrophobicContact CG1-CG2 3.8Å; Q666-T670 WeakPolarHBondContact O-CB 3.41Å; Q666-T670 PolarHBondContact O-N 3.36Å; Q666-T670 PolarHBondContact O-OG1 3.33Å; L667-T670 PolarHBondContact O-N 3.18Å; K668-T670 PolarHBondContact O-N 3.27Å; T670-F674 VanDerWaalsContact O-CB 3.3Å; T670-F674 WeakPolarHBondContact O-CB 3.43Å; T670-F674 PolarHBondContact O-N 3.46Å
671	C	93.1	Very high	89.5	Confident	22 Å²	22	60.7 Å²	60.7	15%	0.149	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-44.9	176.5	-69.6	0	0	0	0	111.8	L667 K668 Y669 F674 I675 L767	L667-C671 WeakPolarHBondContact O-CB 3.46Å; L667-C671 PolarHBondContact O-N 3.05Å; L667-C671 PolarHBondContact O-SG 3.12Å; K668-C671 PolarHBondContact O-N 3.48Å; Y669-C671 PolarHBondContact O-N 2.89Å; C671-F674 PolarHBondContact O-N 3.5Å; C671-I675 WeakPolarHBondContact O-CB 3.37Å; C671-I675 VanDerWaalsContact O-CD1 3.29Å; C671-I675 WeakPolarHBondContact O-CD1 3.38Å; C671-I675 WeakPolarHBondContact O-CG1 3.38Å; C671-I675 PolarHBondContact O-N 3.4Å; C671-L767 HydrophobicContact CB-CD2 4.2Å
672	E	93.6	Very high	89.8	Confident	103 Å²	103	52.9 Å²	52.9	48%	0.481	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-43.5	177.3	-74.9	177.5	170.8	0	0	111.4	K668 Y669 I675 E676	K668-E672 WeakPolarHBondContact CE-OE1 3.37Å; K668-E672 HydrophobicContact CG-CG 4.37Å; K668-E672 IonicContact NZ-OE1 2.76Å; K668-E672 WeakPolarHBondContact O-CB 3.3Å; K668-E672 WeakPolarHBondContact O-CG 3.34Å; K668-E672 PolarHBondContact O-N 3.39Å; Y669-E672 PolarHBondContact O-N 2.85Å; E672-I675 PolarHBondContact O-N 3.32Å; E672-E676 WeakPolarHBondContact O-CB 3.25Å; E672-E676 PolarHBondContact O-N 3.34Å
673	L	93.1	Very high	90	Very high	53 Å²	53	49.9 Å²	49.9	28%	0.277	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-45.3	174.6	-174.1	74.9	0	0	0	111.6	Y669 E676 Q677	Y669-L673 VanDerWaalsContact O-CB 3.26Å; Y669-L673 WeakPolarHBondContact O-CB 3.3Å; Y669-L673 PolarHBondContact O-N 3.39Å; L673-E676 PolarHBondContact O-N 2.88Å; L673-Q677 WeakPolarHBondContact O-CB 3.37Å; L673-Q677 WeakPolarHBondContact O-CG 3.45Å; L673-Q677 PolarHBondContact O-N 3.04Å
674	F	93.6	Very high	90	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-49.5	175.4	174.9	-103.9	0	0	0	110.5	I582 Q585 L586 I589 T670 C671 E676 Q677 Q678 L750 L754 I771	I582-F674 HydrophobicContact CG2-CE2 4.33Å; Q585-F674 HydrophobicContact CB-CD2 3.81Å; Q585-F674 VanDerWaalsContact OE1-CD2 3.28Å; L586-F674 HydrophobicContact CD2-CE1 4.2Å; L586-F674 HydrophobicContact CD2-CE2 3.87Å; L586-F674 HydrophobicContact CD2-CZ 3.68Å; L586-F674 HydrophobicContact CG-CE2 4.02Å; L586-F674 HydrophobicContact CG-CZ 4.22Å; I589-F674 HydrophobicContact CD1-CB 4.1Å; I589-F674 HydrophobicContact CD1-CD1 4.33Å; I589-F674 HydrophobicContact CD1-CG 4.14Å; T670-F674 VanDerWaalsContact O-CB 3.3Å; T670-F674 WeakPolarHBondContact O-CB 3.43Å; T670-F674 PolarHBondContact O-N 3.46Å; C671-F674 PolarHBondContact O-N 3.5Å; F674-E676 PolarHBondContact O-N 3.45Å; F674-Q677 PolarHBondContact O-N 3.44Å; F674-Q678 HydrophobicContact CD1-CG 4.23Å; F674-Q678 HydrophobicContact CD2-CG 3.99Å; F674-Q678 HydrophobicContact CE1-CG 3.91Å; F674-Q678 HydrophobicContact CE2-CG 3.63Å; F674-Q678 HydrophobicContact CG-CG 4.28Å; F674-Q678 HydrophobicContact CZ-CG 3.58Å; F674-Q678 WeakPolarHBondContact O-CB 3.43Å; F674-Q678 VanDerWaalsContact O-CG 3.25Å; F674-Q678 WeakPolarHBondContact O-CG 3.26Å; F674-Q678 PolarHBondContact O-N 2.85Å; F674-L750 HydrophobicContact CZ-CD1 3.91Å; F674-L754 HydrophobicContact CE1-CD2 4.2Å; F674-L754 HydrophobicContact CZ-CD2 4.27Å; F674-I771 HydrophobicContact CD1-CD1 4.35Å; F674-I771 HydrophobicContact CE1-CD1 3.77Å
675	I	91.3	Very high	89.8	Confident	27 Å²	27	52.3 Å²	52.3	14%	0.138	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-47.7	178.6	-69.3	157.2	0	0	0	110.8	C671 E672 Q677 Q678 V679 L767 R770 I771	C671-I675 WeakPolarHBondContact O-CB 3.37Å; C671-I675 VanDerWaalsContact O-CD1 3.29Å; C671-I675 WeakPolarHBondContact O-CD1 3.38Å; C671-I675 WeakPolarHBondContact O-CG1 3.38Å; C671-I675 PolarHBondContact O-N 3.4Å; E672-I675 PolarHBondContact O-N 3.32Å; I675-Q677 PolarHBondContact O-N 2.87Å; I675-Q678 PolarHBondContact O-N 3.34Å; I675-V679 HydrophobicContact CG2-CG2 4.22Å; I675-V679 WeakPolarHBondContact O-CB 3.43Å; I675-V679 WeakPolarHBondContact O-CG2 3.21Å; I675-V679 PolarHBondContact O-N 2.84Å; I675-L767 HydrophobicContact CD1-CD2 4.25Å; I675-R770 HydrophobicContact CD1-CB 3.91Å; I675-R770 HydrophobicContact CD1-CG 3.62Å; I675-R770 HydrophobicContact CG1-CB 4.42Å; I675-R770 HydrophobicContact CG1-CG 4.34Å; I675-R770 HydrophobicContact CG2-CG 4.03Å; I675-I771 HydrophobicContact CB-CG1 4.39Å; I675-I771 HydrophobicContact CG1-CG1 4.09Å; I675-I771 HydrophobicContact CG2-CG1 4.25Å
676	E	91.3	Very high	89.6	Confident	130 Å²	130	49 Å²	49	61%	0.607	24%	0.236	S	C	*	.	H	α-helix	trans	-61.3	-45.9	-179.9	-174.2	179.1	-177.2	0	0	111.4	E672 L673 F674 V679 L680	E672-E676 WeakPolarHBondContact O-CB 3.25Å; E672-E676 PolarHBondContact O-N 3.34Å; L673-E676 PolarHBondContact O-N 2.88Å; F674-E676 PolarHBondContact O-N 3.45Å; E676-V679 PolarHBondContact O-N 2.94Å; E676-L680 WeakPolarHBondContact O-CB 3.16Å; E676-L680 PolarHBondContact O-N 3.15Å
677	Q	90	Very high	89.4	Confident	64 Å²	64	46.9 Å²	46.9	30%	0.299	23%	0.227	S	C	.	.	H	α-helix	trans	-65.5	-42.2	178.2	-73	-173.7	4.2	0	0	112.3	Q585 L673 F674 I675 L680 Q681	Q585-Q677 VanDerWaalsContact NE2-CD 3.28Å; L673-Q677 WeakPolarHBondContact O-CB 3.37Å; L673-Q677 WeakPolarHBondContact O-CG 3.45Å; L673-Q677 PolarHBondContact O-N 3.04Å; F674-Q677 PolarHBondContact O-N 3.44Å; I675-Q677 PolarHBondContact O-N 2.87Å; Q677-L680 PolarHBondContact O-N 2.89Å; Q677-Q681 WeakPolarHBondContact O-CB 3.39Å; Q677-Q681 WeakPolarHBondContact O-CG 3.47Å; Q677-Q681 PolarHBondContact O-N 2.88Å
678	Q	89.5	Confident	89.2	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.019	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-40.4	176.2	-67.3	-42.9	-66.4	0	0	111.7	F674 I675 L680 Q681 L682 L750 I771	F674-Q678 HydrophobicContact CD1-CG 4.23Å; F674-Q678 HydrophobicContact CD2-CG 3.99Å; F674-Q678 HydrophobicContact CE1-CG 3.91Å; F674-Q678 HydrophobicContact CE2-CG 3.63Å; F674-Q678 HydrophobicContact CG-CG 4.28Å; F674-Q678 HydrophobicContact CZ-CG 3.58Å; F674-Q678 WeakPolarHBondContact O-CB 3.43Å; F674-Q678 VanDerWaalsContact O-CG 3.25Å; F674-Q678 WeakPolarHBondContact O-CG 3.26Å; F674-Q678 PolarHBondContact O-N 2.85Å; I675-Q678 PolarHBondContact O-N 3.34Å; Q678-L680 VanDerWaalsContact C-N 3.33Å; Q678-L680 PolarHBondContact O-N 3.39Å; Q678-Q681 PolarHBondContact O-N 3.34Å; Q678-L682 VanDerWaalsContact O-CB 3.26Å; Q678-L682 WeakPolarHBondContact O-CB 3.4Å; Q678-L682 WeakPolarHBondContact O-CG 3.32Å; Q678-L682 PolarHBondContact O-N 3.16Å; Q678-L750 HydrophobicContact CG-CD1 4.2Å; Q678-I771 HydrophobicContact CB-CD1 4Å; Q678-I771 HydrophobicContact CB-CG1 4.27Å; Q678-I771 HydrophobicContact CB-CG2 4.3Å; Q678-I771 HydrophobicContact CG-CD1 4.17Å
679	V	89	Confident	88.9	Confident	15 Å²	15	44 Å²	44	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-42.8	174.3	170.9	0	0	0	0	110.5	I675 E676 L682 T683 I771 V775 Q778	I675-V679 HydrophobicContact CG2-CG2 4.22Å; I675-V679 WeakPolarHBondContact O-CB 3.43Å; I675-V679 WeakPolarHBondContact O-CG2 3.21Å; I675-V679 PolarHBondContact O-N 2.84Å; E676-V679 PolarHBondContact O-N 2.94Å; V679-L682 PolarHBondContact O-N 3.26Å; V679-T683 HydrophobicContact CG1-CG2 4.48Å; V679-T683 WeakPolarHBondContact O-CB 3.47Å; V679-T683 VanDerWaalsContact O-CG2 3.31Å; V679-T683 WeakPolarHBondContact O-CG2 3.42Å; V679-T683 PolarHBondContact O-N 3.36Å; V679-T683 PolarHBondContact O-OG1 3.08Å; V679-I771 HydrophobicContact CG2-CG2 4.38Å; V679-V775 HydrophobicContact CG2-CG2 4.33Å; V679-Q778 HydrophobicContact CG1-CG 4.2Å
680	L	88.4	Confident	88.5	Confident	74 Å²	74	37.9 Å²	37.9	39%	0.387	19%	0.193	S	C	.	.	H	α-helix	trans	-66.9	-41.1	177.5	-168.8	130.5	0	0	0	112.2	E676 Q677 Q678 T683 G684	E676-L680 WeakPolarHBondContact O-CB 3.16Å; E676-L680 PolarHBondContact O-N 3.15Å; Q677-L680 PolarHBondContact O-N 2.89Å; Q678-L680 VanDerWaalsContact C-N 3.33Å; Q678-L680 PolarHBondContact O-N 3.39Å; L680-T683 PolarHBondContact O-N 2.98Å; L680-T683 PolarHBondContact O-OG1 3.44Å; L680-G684 PolarHBondContact O-N 3.36Å
681	Q	85.5	Confident	88.3	Confident	78 Å²	78	43.9 Å²	43.9	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-66.2	-40.4	175.6	-75.2	-175.3	-0.4	0	0	112.5	Q677 Q678	Q677-Q681 WeakPolarHBondContact O-CB 3.39Å; Q677-Q681 WeakPolarHBondContact O-CG 3.47Å; Q677-Q681 PolarHBondContact O-N 2.88Å; Q678-Q681 PolarHBondContact O-N 3.34Å
682	L	84.8	Confident	87.9	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-74.8	-23.6	179.4	-68.7	173.4	0	0	0	113.7	Q678 V679 L726 A729 L750 I771 V775	Q678-L682 VanDerWaalsContact O-CB 3.26Å; Q678-L682 WeakPolarHBondContact O-CB 3.4Å; Q678-L682 WeakPolarHBondContact O-CG 3.32Å; Q678-L682 PolarHBondContact O-N 3.16Å; V679-L682 PolarHBondContact O-N 3.26Å; L682-L726 HydrophobicContact CB-CD1 4.42Å; L682-L726 HydrophobicContact CD2-CD1 4.38Å; L682-A729 HydrophobicContact CD2-CB 3.28Å; L682-L750 HydrophobicContact CD1-CD2 4.12Å; L682-I771 HydrophobicContact CD1-CG2 3.55Å; L682-V775 HydrophobicContact CB-CG2 3.86Å; L682-V775 HydrophobicContact CD1-CG2 3.89Å
683	T	85.6	Confident	87.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-96.1	-21.1	176.3	56.3	0	0	0	0	112.9	V679 L680 E685 L686 A722 V775 Q778	V679-T683 HydrophobicContact CG1-CG2 4.48Å; V679-T683 WeakPolarHBondContact O-CB 3.47Å; V679-T683 VanDerWaalsContact O-CG2 3.31Å; V679-T683 WeakPolarHBondContact O-CG2 3.42Å; V679-T683 PolarHBondContact O-N 3.36Å; V679-T683 PolarHBondContact O-OG1 3.08Å; L680-T683 PolarHBondContact O-N 2.98Å; L680-T683 PolarHBondContact O-OG1 3.44Å; T683-E685 PolarHBondContact O-N 2.76Å; T683-L686 WeakPolarHBondContact O-CB 3.4Å; T683-L686 PolarHBondContact O-N 2.82Å; T683-L686 VanDerWaalsContact O-N 3.16Å; T683-A722 WeakPolarHBondContact O-CB 3.37Å; T683-V775 HydrophobicContact CG2-CG1 4.34Å; T683-V775 HydrophobicContact CG2-CG2 4.4Å; T683-Q778 HydrophobicContact CG2-CB 3.81Å; T683-Q778 HydrophobicContact CG2-CG 4.09Å
684	G	83.9	Confident	87	Confident	20 Å²	20	47.4 Å²	47.4	21%	0.206	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-128	172.8	0	0	0	0	0	112.5	L680 L686 S687	L680-G684 PolarHBondContact O-N 3.36Å; G684-L686 PolarHBondContact O-N 2.87Å; G684-S687 PolarHBondContact O-OG 3.23Å
685	E	84	Confident	86.5	Confident	97 Å²	97	51.4 Å²	51.4	45%	0.453	25%	0.253	S	S	.	.	H	α-helix	trans	-68.4	-16.7	-179.5	-66.4	-178.1	-169.7	0	0	113.6	T683 S687 N688 F689 I718	T683-E685 PolarHBondContact O-N 2.76Å; E685-S687 VanDerWaalsContact C-N 3.35Å; E685-S687 PolarHBondContact O-N 2.88Å; E685-N688 PolarHBondContact O-N 3.46Å; E685-F689 WeakPolarHBondContact O-CB 3.45Å; E685-F689 PolarHBondContact O-N 3.27Å; E685-I718 HydrophobicContact CB-CG1 4.41Å; E685-I718 HydrophobicContact CB-CG2 4.01Å
686	L	84.9	Confident	86.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-45.5	-179	-172.4	65.6	0	0	0	112	T683 G684 N688 F689 L690 A722 Q778 W779 M782	T683-L686 WeakPolarHBondContact O-CB 3.4Å; T683-L686 PolarHBondContact O-N 2.82Å; T683-L686 VanDerWaalsContact O-N 3.16Å; G684-L686 PolarHBondContact O-N 2.87Å; L686-N688 VanDerWaalsContact C-N 3.32Å; L686-N688 PolarHBondContact O-N 2.82Å; L686-F689 PolarHBondContact O-N 3.41Å; L686-L690 HydrophobicContact CG-CD1 4.24Å; L686-L690 WeakPolarHBondContact O-CB 3.36Å; L686-L690 VanDerWaalsContact O-CG 3.3Å; L686-L690 WeakPolarHBondContact O-CG 3.34Å; L686-L690 PolarHBondContact O-N 3.04Å; L686-A722 HydrophobicContact CB-CB 4.31Å; L686-Q778 HydrophobicContact CD2-CB 4.48Å; L686-W779 HydrophobicContact CD2-CD2 3.77Å; L686-W779 HydrophobicContact CD2-CE3 4.04Å; L686-W779 HydrophobicContact CD2-CG 4.17Å; L686-W779 HydrophobicContact CD2-CH2 4.45Å; L686-W779 HydrophobicContact CD2-CZ2 4.22Å; L686-W779 HydrophobicContact CD2-CZ3 4.35Å; L686-M782 HydrophobicContact CD1-CB 3.81Å; L686-M782 HydrophobicContact CD1-CE 4.25Å; L686-M782 HydrophobicContact CD1-CG 3.53Å; L686-M782 HydrophobicContact CD1-SD 3.54Å; L686-M782 VanDerWaalsContact CD1-SD 3.54Å; L686-M782 HydrophobicContact CG-CB 4.5Å
687	S	86	Confident	85.6	Confident	6 Å²	6	48.3 Å²	48.3	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-37	-179	62.2	0	0	0	0	112.1	G684 E685 K691	G684-S687 PolarHBondContact O-OG 3.23Å; E685-S687 VanDerWaalsContact C-N 3.35Å; E685-S687 PolarHBondContact O-N 2.88Å; S687-K691 WeakPolarHBondContact O-CG 3.39Å; S687-K691 PolarHBondContact O-N 3.45Å
688	N	86.5	Confident	85.2	Confident	80 Å²	80	49.3 Å²	49.3	43%	0.428	26%	0.259	S	S	.	.	H	α-helix	trans	-72.2	-39.9	178.6	-70.5	-22.5	0	0	0	111.2	E685 L686 K691 R692	E685-N688 PolarHBondContact O-N 3.46Å; L686-N688 VanDerWaalsContact C-N 3.32Å; L686-N688 PolarHBondContact O-N 2.82Å; N688-K691 PolarHBondContact O-N 3.24Å; N688-R692 WeakPolarHBondContact O-CB 3.48Å; N688-R692 WeakPolarHBondContact O-CG 3.28Å; N688-R692 PolarHBondContact O-N 3.16Å
689	F	87.1	Confident	84.6	Confident	7 Å²	7	51 Å²	51	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-48.3	172	178.7	-93.1	0	0	0	111	E685 L686 K691 R692 A693 F709 I715 I718 M782 L785	E685-F689 WeakPolarHBondContact O-CB 3.45Å; E685-F689 PolarHBondContact O-N 3.27Å; L686-F689 PolarHBondContact O-N 3.41Å; F689-K691 PolarHBondContact O-N 2.83Å; F689-R692 PolarHBondContact O-N 3.37Å; F689-A693 HydrophobicContact CE1-CB 4.33Å; F689-A693 VanDerWaalsContact O-CB 3.28Å; F689-A693 WeakPolarHBondContact O-CB 3.29Å; F689-A693 PolarHBondContact O-N 3.15Å; F689-F709 AromaticContact CD2-CD2 3.99Å; F689-F709 HydrophobicContact CD2-CD2 3.99Å; F689-F709 HydrophobicContact CD2-CE2 4.18Å; F689-F709 AromaticContact CE2-CD2 3.73Å; F689-F709 HydrophobicContact CE2-CD2 3.73Å; F689-F709 AromaticContact CE2-CE2 3.82Å; F689-F709 HydrophobicContact CE2-CE2 3.82Å; F689-I715 HydrophobicContact CE2-CD1 4.17Å; F689-I715 HydrophobicContact CE2-CG1 3.85Å; F689-I715 HydrophobicContact CZ-CD1 3.65Å; F689-I715 HydrophobicContact CZ-CG1 3.75Å; F689-I718 HydrophobicContact CB-CD1 4.23Å; F689-I718 HydrophobicContact CD2-CD1 3.73Å; F689-I718 HydrophobicContact CE2-CD1 4.46Å; F689-I718 HydrophobicContact CG-CD1 4.16Å; F689-M782 HydrophobicContact CD1-CE 3.75Å; F689-M782 HydrophobicContact CD1-SD 3.69Å; F689-M782 HydrophobicContact CE1-CE 3.51Å; F689-M782 HydrophobicContact CE1-SD 3.78Å; F689-M782 HydrophobicContact CZ-CE 4.38Å; F689-L785 HydrophobicContact CE1-CD2 4.31Å
690	L	85.7	Confident	83.7	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-59.1	-48.7	177.4	-72.6	171.2	0	0	0	111.7	L686 R692 A693 H694 Q778 M782 L785	L686-L690 HydrophobicContact CG-CD1 4.24Å; L686-L690 WeakPolarHBondContact O-CB 3.36Å; L686-L690 VanDerWaalsContact O-CG 3.3Å; L686-L690 WeakPolarHBondContact O-CG 3.34Å; L686-L690 PolarHBondContact O-N 3.04Å; L690-R692 VanDerWaalsContact C-N 3.32Å; L690-R692 PolarHBondContact O-N 2.9Å; L690-A693 PolarHBondContact O-N 2.79Å; L690-H694 WeakPolarHBondContact O-CB 3.37Å; L690-H694 PolarHBondContact O-N 3.36Å; L690-H694 PolarHBondContact O-ND1 3.25Å; L690-Q778 HydrophobicContact CD1-CB 4.42Å; L690-Q778 WeakPolarHBondContact CD1-O 3.41Å; L690-Q778 VanDerWaalsContact CD1-OE1 3.23Å; L690-M782 HydrophobicContact CD1-CB 4.48Å; L690-M782 HydrophobicContact CD2-CB 4.16Å; L690-M782 HydrophobicContact CD2-SD 3.85Å; L690-M782 HydrophobicContact CG-SD 4.34Å; L690-L785 HydrophobicContact CD2-CD1 4.09Å
691	K	86.4	Confident	82.8	Confident	132 Å²	132	57.1 Å²	57.1	57%	0.574	33%	0.334	S	S	*	.	H	α-helix	trans	-57.9	-44.1	177.7	-74.6	176.1	-178.5	179.7	0	112	S687 N688 F689 S695	S687-K691 WeakPolarHBondContact O-CG 3.39Å; S687-K691 PolarHBondContact O-N 3.45Å; N688-K691 PolarHBondContact O-N 3.24Å; F689-K691 PolarHBondContact O-N 2.83Å; K691-S695 WeakPolarHBondContact O-CB 3.5Å; K691-S695 PolarHBondContact O-N 3.37Å
692	R	85	Confident	82.1	Confident	158 Å²	158	56.1 Å²	56.1	60%	0.596	33%	0.333	S	S	*	.	H	α-helix	trans	-65.2	-44.9	176.9	-72.4	178.3	-175.9	176.2	2.8	111.8	N688 F689 L690 S695 I696 F709	N688-R692 WeakPolarHBondContact O-CB 3.48Å; N688-R692 WeakPolarHBondContact O-CG 3.28Å; N688-R692 PolarHBondContact O-N 3.16Å; F689-R692 PolarHBondContact O-N 3.37Å; L690-R692 VanDerWaalsContact C-N 3.32Å; L690-R692 PolarHBondContact O-N 2.9Å; R692-S695 PolarHBondContact O-N 2.93Å; R692-I696 WeakPolarHBondContact O-CG1 3.3Å; R692-I696 PolarHBondContact O-N 3.49Å; R692-I696 VanDerWaalsContact O-N 3.1Å; R692-F709 HydrophobicContact CB-CE2 4.43Å
693	A	83.9	Confident	81.2	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-47.6	179.6	0	0	0	0	0	111.7	F689 L690 S695 I696 L697 L704 L785	F689-A693 HydrophobicContact CE1-CB 4.33Å; F689-A693 VanDerWaalsContact O-CB 3.28Å; F689-A693 WeakPolarHBondContact O-CB 3.29Å; F689-A693 PolarHBondContact O-N 3.15Å; L690-A693 PolarHBondContact O-N 2.79Å; A693-S695 VanDerWaalsContact C-N 3.35Å; A693-S695 PolarHBondContact O-N 3.03Å; A693-I696 PolarHBondContact O-N 3.13Å; A693-L697 WeakPolarHBondContact O-CG 3.45Å; A693-L697 PolarHBondContact O-N 2.78Å; A693-L704 HydrophobicContact CB-CD1 4.25Å; A693-L704 HydrophobicContact CB-CD2 4.08Å; A693-L785 HydrophobicContact CB-CD1 3.62Å
694	H	85	Confident	80.4	Confident	93 Å²	93	64.6 Å²	64.6	43%	0.431	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-37.2	176.4	-70.4	88.1	0	0	0	112.5	L690 I696 L697 A698 S781	L690-H694 WeakPolarHBondContact O-CB 3.37Å; L690-H694 PolarHBondContact O-N 3.36Å; L690-H694 PolarHBondContact O-ND1 3.25Å; H694-I696 VanDerWaalsContact C-N 3.29Å; H694-I696 PolarHBondContact O-N 3.06Å; H694-L697 PolarHBondContact O-N 3.24Å; H694-A698 WeakPolarHBondContact O-CB 3.36Å; H694-A698 PolarHBondContact O-N 2.77Å; H694-S781 PolarHBondContact CE1-OG 3.45Å
695	S	83.6	Confident	79.7	Confident	85 Å²	85	66.8 Å²	66.8	59%	0.594	38%	0.381	S	S	*	.	H	α-helix	trans	-63.8	-34.5	175.9	-174.6	0	0	0	0	112.8	K691 R692 A693	K691-S695 WeakPolarHBondContact O-CB 3.5Å; K691-S695 PolarHBondContact O-N 3.37Å; R692-S695 PolarHBondContact O-N 2.93Å; A693-S695 VanDerWaalsContact C-N 3.35Å; A693-S695 PolarHBondContact O-N 3.03Å
696	I	82.4	Confident	79	Confident	36 Å²	36	67.8 Å²	67.8	19%	0.185	39%	0.389	C	S	.	.	H	α-helix	trans	-76.5	-44.3	176.5	-66.4	-177.6	0	0	0	110	R692 A693 H694 A698 A699 T702 Q707 F709	R692-I696 WeakPolarHBondContact O-CG1 3.3Å; R692-I696 PolarHBondContact O-N 3.49Å; R692-I696 VanDerWaalsContact O-N 3.1Å; A693-I696 PolarHBondContact O-N 3.13Å; H694-I696 VanDerWaalsContact C-N 3.29Å; H694-I696 PolarHBondContact O-N 3.06Å; I696-A698 PolarHBondContact O-N 3.09Å; I696-A699 WeakPolarHBondContact O-CA 3.36Å; I696-A699 VanDerWaalsContact O-CB 3.28Å; I696-A699 WeakPolarHBondContact O-CB 3.47Å; I696-A699 PolarHBondContact O-N 3.14Å; I696-T702 HydrophobicContact CG2-CG2 4.45Å; I696-T702 WeakPolarHBondContact CG2-OG1 3.39Å; I696-T702 PolarHBondContact O-OG1 3.19Å; I696-Q707 HydrophobicContact CD1-CG 4.03Å; I696-Q707 HydrophobicContact CG2-CG 4.36Å; I696-F709 HydrophobicContact CD1-CE1 3.35Å; I696-F709 HydrophobicContact CD1-CZ 3.49Å; I696-F709 VanDerWaalsContact CD1-CZ 3.49Å
697	L	80.7	Confident	78.5	Confident	56 Å²	56	70.9 Å²	70.9	29%	0.293	40%	0.404	S	S	.	.	H	α-helix	trans	-59.7	-29.1	176	-71.5	169.7	0	0	0	113.6	A693 H694 A699 L704 L785 H789	A693-L697 WeakPolarHBondContact O-CG 3.45Å; A693-L697 PolarHBondContact O-N 2.78Å; H694-L697 PolarHBondContact O-N 3.24Å; L697-A699 PolarHBondContact O-N 2.68Å; L697-L704 HydrophobicContact CD1-CD1 3.67Å; L697-L704 HydrophobicContact CD2-CD1 3.45Å; L697-L704 VanDerWaalsContact CD2-CD1 3.45Å; L697-L704 HydrophobicContact CG-CD1 3.29Å; L697-L785 HydrophobicContact CD1-CD1 4.29Å; L697-H789 WeakPolarHBondContact CD1-NE2 3.35Å; L697-H789 WeakPolarHBondContact CD2-CE1 3.43Å; L697-H789 VanDerWaalsContact CD2-NE2 3.35Å; L697-H789 WeakPolarHBondContact CD2-NE2 3.48Å
698	A	81.1	Confident	78	Confident	84 Å²	84	76 Å²	76	69%	0.694	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.4	173.4	0	0	0	0	0	113	H694 I696	H694-A698 WeakPolarHBondContact O-CB 3.36Å; H694-A698 PolarHBondContact O-N 2.77Å; I696-A698 PolarHBondContact O-N 3.09Å
699	A	76.8	Confident	77.6	Confident	41 Å²	41	74.3 Å²	74.3	34%	0.339	43%	0.426	S	S	.	.	S	Bend	trans	-81.2	123	176.2	0	0	0	0	0	110.4	I696 L697 G701 T702	I696-A699 WeakPolarHBondContact O-CA 3.36Å; I696-A699 VanDerWaalsContact O-CB 3.28Å; I696-A699 WeakPolarHBondContact O-CB 3.47Å; I696-A699 PolarHBondContact O-N 3.14Å; L697-A699 PolarHBondContact O-N 2.68Å; A699-G701 PolarHBondContact O-N 2.63Å; A699-T702 HydrophobicContact CB-CG2 4.07Å; A699-T702 PolarHBondContact O-N 3.2Å; A699-T702 PolarHBondContact O-OG1 2.91Å
700	P	70.9	Confident	77.2	Confident	133 Å²	133	74 Å²	74	86%	0.864	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	128.5	-172.1	23.5	-32.3	0	0	0	112
701	G	68.6	Low	77	Confident	84 Å²	84	77.8 Å²	77.8	87%	0.866	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	4	173.2	0	0	0	0	0	116.1	A699	A699-G701 PolarHBondContact O-N 2.63Å
702	T	70	Confident	76.7	Confident	56 Å²	56	72.7 Å²	72.7	34%	0.344	43%	0.425	S	S	.	.			trans	-87.4	141.5	178.5	66.1	0	0	0	0	112.1	I696 A699	I696-T702 HydrophobicContact CG2-CG2 4.45Å; I696-T702 WeakPolarHBondContact CG2-OG1 3.39Å; I696-T702 PolarHBondContact O-OG1 3.19Å; A699-T702 HydrophobicContact CB-CG2 4.07Å; A699-T702 PolarHBondContact O-N 3.2Å; A699-T702 PolarHBondContact O-OG1 2.91Å
703	R	68	Low	76.6	Confident	182 Å²	182	68.4 Å²	68.4	69%	0.687	42%	0.42	S	S	*	.			trans	-106.6	135.1	171	-67.4	178	172.8	165.3	-2.1	109.2	A705 D706	R703-A705 VanDerWaalsContact C-N 3.28Å; R703-A705 PolarHBondContact O-N 3.36Å; R703-D706 PolarHBondContact O-N 3.27Å
704	L	68.7	Low	76.6	Confident	2 Å²	2	73 Å²	73	1%	0.01	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-60.4	-41	178.7	-126.8	90.2	0	0	0	111.7	A693 L697 D706 Q707 A710 L785 H789 Y790	A693-L704 HydrophobicContact CB-CD1 4.25Å; A693-L704 HydrophobicContact CB-CD2 4.08Å; L697-L704 HydrophobicContact CD1-CD1 3.67Å; L697-L704 HydrophobicContact CD2-CD1 3.45Å; L697-L704 VanDerWaalsContact CD2-CD1 3.45Å; L697-L704 HydrophobicContact CG-CD1 3.29Å; L704-D706 PolarHBondContact O-N 2.96Å; L704-D706 VanDerWaalsContact O-N 3.16Å; L704-Q707 WeakPolarHBondContact O-CB 3.15Å; L704-Q707 PolarHBondContact O-N 3.12Å; L704-Q707 VanDerWaalsContact O-N 3.07Å; L704-A710 HydrophobicContact CG-CB 4.5Å; L704-A710 WeakPolarHBondContact O-CB 3.4Å; L704-L785 HydrophobicContact CD2-CD2 3.73Å; L704-H789 HydrophobicContact CB-CB 4.5Å; L704-Y790 HydrophobicContact CD2-CE2 4.12Å
705	A	67.6	Low	76.6	Confident	66 Å²	66	68.5 Å²	68.5	55%	0.545	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-60.7	-25	-176	0	0	0	0	0	114.2	R703 Q707	R703-A705 VanDerWaalsContact C-N 3.28Å; R703-A705 PolarHBondContact O-N 3.36Å; A705-Q707 VanDerWaalsContact C-N 3.25Å; A705-Q707 PolarHBondContact O-N 2.93Å
706	D	69.7	Low	76.7	Confident	118 Å²	118	69.5 Å²	69.5	63%	0.631	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-78.6	-11.1	-179.5	-61.9	-25.2	0	0	0	112.4	R703 L704	R703-D706 PolarHBondContact O-N 3.27Å; L704-D706 PolarHBondContact O-N 2.96Å; L704-D706 VanDerWaalsContact O-N 3.16Å
707	Q	75.3	Confident	76.9	Confident	66 Å²	66	73.1 Å²	73.1	31%	0.308	43%	0.427	S	S	.	.	S	Bend	trans	-86.7	135.8	-178.2	-60.3	-63.2	-44	0	0	111.4	I696 L704 A705 F709 A710	I696-Q707 HydrophobicContact CD1-CG 4.03Å; I696-Q707 HydrophobicContact CG2-CG 4.36Å; L704-Q707 WeakPolarHBondContact O-CB 3.15Å; L704-Q707 PolarHBondContact O-N 3.12Å; L704-Q707 VanDerWaalsContact O-N 3.07Å; A705-Q707 VanDerWaalsContact C-N 3.25Å; A705-Q707 PolarHBondContact O-N 2.93Å; Q707-F709 VanDerWaalsContact C-N 3.27Å; Q707-F709 HydrophobicContact CB-CD1 3.75Å; Q707-F709 HydrophobicContact CB-CE1 3.45Å; Q707-F709 VanDerWaalsContact CB-CE1 3.45Å; Q707-F709 HydrophobicContact CB-CZ 4.19Å; Q707-F709 HydrophobicContact CG-CE1 3.87Å; Q707-F709 HydrophobicContact CG-CZ 4.49Å; Q707-F709 PolarHBondContact O-N 3.42Å; Q707-A710 HydrophobicContact CB-CB 4.05Å; Q707-A710 WeakPolarHBondContact O-CB 3.37Å; Q707-A710 PolarHBondContact O-N 3.08Å
708	P	74.6	Confident	77.2	Confident	114 Å²	114	70.6 Å²	70.6	74%	0.74	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-64	-30.6	-175.6	24.7	-34.1	0	0	0	113.4	A710	P708-A710 PolarHBondContact O-N 3.28Å
709	F	78	Confident	77.5	Confident	43 Å²	43	66.8 Å²	66.8	19%	0.189	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-77.6	-7.4	177.5	77.4	-89.2	0	0	0	113.3	F689 R692 I696 Q707 Y714	F689-F709 AromaticContact CD2-CD2 3.99Å; F689-F709 HydrophobicContact CD2-CD2 3.99Å; F689-F709 HydrophobicContact CD2-CE2 4.18Å; F689-F709 AromaticContact CE2-CD2 3.73Å; F689-F709 HydrophobicContact CE2-CD2 3.73Å; F689-F709 AromaticContact CE2-CE2 3.82Å; F689-F709 HydrophobicContact CE2-CE2 3.82Å; R692-F709 HydrophobicContact CB-CE2 4.43Å; I696-F709 HydrophobicContact CD1-CE1 3.35Å; I696-F709 HydrophobicContact CD1-CZ 3.49Å; I696-F709 VanDerWaalsContact CD1-CZ 3.49Å; Q707-F709 VanDerWaalsContact C-N 3.27Å; Q707-F709 HydrophobicContact CB-CD1 3.75Å; Q707-F709 HydrophobicContact CB-CE1 3.45Å; Q707-F709 VanDerWaalsContact CB-CE1 3.45Å; Q707-F709 HydrophobicContact CB-CZ 4.19Å; Q707-F709 HydrophobicContact CG-CE1 3.87Å; Q707-F709 HydrophobicContact CG-CZ 4.49Å; Q707-F709 PolarHBondContact O-N 3.42Å; F709-Y714 HydrophobicContact CB-CE1 4.49Å; F709-Y714 WeakPolarHBondContact O-CD1 3.26Å
710	A	78.8	Confident	78	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.008	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-103.7	15	-175.9	0	0	0	0	0	112.2	L704 Q707 P708 I715 Y790	L704-A710 HydrophobicContact CG-CB 4.5Å; L704-A710 WeakPolarHBondContact O-CB 3.4Å; Q707-A710 HydrophobicContact CB-CB 4.05Å; Q707-A710 WeakPolarHBondContact O-CB 3.37Å; Q707-A710 PolarHBondContact O-N 3.08Å; P708-A710 PolarHBondContact O-N 3.28Å; A710-I715 WeakPolarHBondContact O-CD1 3.35Å; A710-Y790 WeakPolarHBondContact CB-OH 3.33Å; A710-Y790 WeakPolarHBondContact O-CE1 3.37Å; A710-Y790 PolarHBondContact O-OH 2.81Å
711	N	81.3	Confident	78.7	Confident	83 Å²	83	63.6 Å²	63.6	44%	0.444	36%	0.356	S	S	.	.			trans	-64.1	131.3	174	-173.1	-22.6	0	0	0	110.3	S713 Y714 I715	N711-S713 PolarHBondContact O-N 3.46Å; N711-S713 VanDerWaalsContact O-N 3.1Å; N711-S713 PolarHBondContact OD1-N 2.9Å; N711-S713 PolarHBondContact OD1-OG 3.35Å; N711-Y714 PolarHBondContact O-N 2.96Å; N711-I715 PolarHBondContact O-N 3.24Å; N711-I715 VanDerWaalsContact O-N 3.1Å
712	P	79.8	Confident	79.5	Confident	25 Å²	25	59.7 Å²	59.7	16%	0.162	32%	0.316	C	S	.	.	H	α-helix	trans	-53	-32.4	-179.1	18.8	-34	0	0	0	114.4	K716 D794 I797 I798	P712-K716 WeakPolarHBondContact O-CB 3.4Å; P712-K716 PolarHBondContact O-N 2.86Å; P712-D794 HydrophobicContact CB-CB 4.38Å; P712-I797 HydrophobicContact CB-CG2 4.47Å; P712-I798 HydrophobicContact CB-CD1 4.07Å; P712-I798 HydrophobicContact CB-CG1 3.93Å; P712-I798 WeakPolarHBondContact O-CG1 3.49Å
713	S	83.2	Confident	80.3	Confident	69 Å²	69	60.1 Å²	60.1	48%	0.483	31%	0.314	S	S	.	.	H	α-helix	trans	-67.2	-40.3	176.8	58.8	0	0	0	0	113.1	N711 K716 E717	N711-S713 PolarHBondContact O-N 3.46Å; N711-S713 VanDerWaalsContact O-N 3.1Å; N711-S713 PolarHBondContact OD1-N 2.9Å; N711-S713 PolarHBondContact OD1-OG 3.35Å; S713-K716 WeakPolarHBondContact O-CB 3.32Å; S713-K716 PolarHBondContact O-N 3.21Å; S713-E717 PolarHBondContact O-N 2.78Å
714	Y	84.7	Confident	81	Confident	95 Å²	95	57.8 Å²	57.8	37%	0.373	31%	0.305	S	S	.	.	H	α-helix	trans	-70.7	-37.7	177.5	-176.4	-104.2	0	0	0	111.4	F709 N711 K716 E717 I718	F709-Y714 HydrophobicContact CB-CE1 4.49Å; F709-Y714 WeakPolarHBondContact O-CD1 3.26Å; N711-Y714 PolarHBondContact O-N 2.96Å; Y714-K716 VanDerWaalsContact C-N 3.35Å; Y714-K716 PolarHBondContact O-N 3.29Å; Y714-E717 WeakPolarHBondContact O-CB 3.39Å; Y714-E717 PolarHBondContact O-N 3.36Å; Y714-I718 HydrophobicContact CD1-CD1 3.65Å; Y714-I718 HydrophobicContact CD1-CG1 4.43Å; Y714-I718 HydrophobicContact CE1-CD1 3.35Å; Y714-I718 HydrophobicContact CE1-CG1 4.14Å; Y714-I718 PolarHBondContact O-N 3.45Å
715	I	84.8	Confident	81.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-39.9	175.7	-61.6	172.2	0	0	0	111.2	F689 A710 N711 E717 I718 V719 M782 L786 Y790 I798	F689-I715 HydrophobicContact CE2-CD1 4.17Å; F689-I715 HydrophobicContact CE2-CG1 3.85Å; F689-I715 HydrophobicContact CZ-CD1 3.65Å; F689-I715 HydrophobicContact CZ-CG1 3.75Å; A710-I715 WeakPolarHBondContact O-CD1 3.35Å; N711-I715 PolarHBondContact O-N 3.24Å; N711-I715 VanDerWaalsContact O-N 3.1Å; I715-E717 PolarHBondContact O-N 3.16Å; I715-I718 PolarHBondContact O-N 3.33Å; I715-V719 HydrophobicContact CG2-CG2 4.19Å; I715-V719 WeakPolarHBondContact O-CB 3.47Å; I715-V719 WeakPolarHBondContact O-CG2 3.46Å; I715-V719 PolarHBondContact O-N 2.96Å; I715-M782 HydrophobicContact CG2-CE 3.32Å; I715-L786 HydrophobicContact CD1-CD2 4.44Å; I715-L786 HydrophobicContact CG2-CD2 4.26Å; I715-Y790 HydrophobicContact CD1-CE1 4.02Å; I715-Y790 HydrophobicContact CD1-CE2 4.2Å; I715-Y790 WeakPolarHBondContact CD1-OH 3.31Å; I715-I798 HydrophobicContact CB-CD1 4.2Å; I715-I798 HydrophobicContact CB-CG1 4.22Å; I715-I798 HydrophobicContact CB-CG2 4.45Å; I715-I798 HydrophobicContact CD1-CD1 4.33Å; I715-I798 HydrophobicContact CG2-CD1 4.09Å; I715-I798 HydrophobicContact CG2-CG1 4.25Å; I715-I798 HydrophobicContact CG2-CG2 3.71Å
716	K	86.1	Confident	82.4	Confident	106 Å²	106	56.7 Å²	56.7	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-55.5	-42.4	172.5	-172.9	-174	-171.2	160.4	0	111.6	P712 S713 Y714 V719 S720 I797	P712-K716 WeakPolarHBondContact O-CB 3.4Å; P712-K716 PolarHBondContact O-N 2.86Å; S713-K716 WeakPolarHBondContact O-CB 3.32Å; S713-K716 PolarHBondContact O-N 3.21Å; Y714-K716 VanDerWaalsContact C-N 3.35Å; Y714-K716 PolarHBondContact O-N 3.29Å; K716-V719 PolarHBondContact O-N 3.31Å; K716-S720 VanDerWaalsContact O-CB 3.28Å; K716-S720 WeakPolarHBondContact O-CB 3.44Å; K716-S720 PolarHBondContact O-N 3.02Å; K716-S720 PolarHBondContact O-OG 2.87Å; K716-I797 WeakPolarHBondContact CD-O 3.2Å; K716-I797 WeakPolarHBondContact CE-O 3.42Å; K716-I797 PolarHBondContact NZ-O 3.4Å
717	E	86.7	Confident	82.9	Confident	111 Å²	111	52.2 Å²	52.2	52%	0.519	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-47.3	177.4	-169.8	174.1	-178.3	0	0	111.3	S713 Y714 I715 V719 S720 N721	S713-E717 PolarHBondContact O-N 2.78Å; Y714-E717 WeakPolarHBondContact O-CB 3.39Å; Y714-E717 PolarHBondContact O-N 3.36Å; I715-E717 PolarHBondContact O-N 3.16Å; E717-V719 PolarHBondContact O-N 3.44Å; E717-S720 WeakPolarHBondContact CA-OG 3.45Å; E717-S720 PolarHBondContact O-N 3.49Å; E717-S720 PolarHBondContact O-OG 2.98Å; E717-N721 VanDerWaalsContact O-CB 3.25Å; E717-N721 WeakPolarHBondContact O-CB 3.46Å; E717-N721 VanDerWaalsContact O-CG 3.26Å; E717-N721 PolarHBondContact O-N 2.67Å; E717-N721 PolarHBondContact O-ND2 3.32Å
718	I	86.4	Confident	83	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-56.4	-49.7	174.9	-68.5	165.9	0	0	0	111.3	E685 F689 Y714 I715 N721 A722	E685-I718 HydrophobicContact CB-CG1 4.41Å; E685-I718 HydrophobicContact CB-CG2 4.01Å; F689-I718 HydrophobicContact CB-CD1 4.23Å; F689-I718 HydrophobicContact CD2-CD1 3.73Å; F689-I718 HydrophobicContact CE2-CD1 4.46Å; F689-I718 HydrophobicContact CG-CD1 4.16Å; Y714-I718 HydrophobicContact CD1-CD1 3.65Å; Y714-I718 HydrophobicContact CD1-CG1 4.43Å; Y714-I718 HydrophobicContact CE1-CD1 3.35Å; Y714-I718 HydrophobicContact CE1-CG1 4.14Å; Y714-I718 PolarHBondContact O-N 3.45Å; I715-I718 PolarHBondContact O-N 3.33Å; I718-N721 PolarHBondContact O-N 3.46Å; I718-A722 WeakPolarHBondContact O-CB 3.48Å; I718-A722 PolarHBondContact O-N 2.92Å
719	V	87.7	Confident	83	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-47.1	-178.3	162.4	0	0	0	0	111.2	I715 K716 E717 A722 H723 W779 M782 I798	I715-V719 HydrophobicContact CG2-CG2 4.19Å; I715-V719 WeakPolarHBondContact O-CB 3.47Å; I715-V719 WeakPolarHBondContact O-CG2 3.46Å; I715-V719 PolarHBondContact O-N 2.96Å; K716-V719 PolarHBondContact O-N 3.31Å; E717-V719 PolarHBondContact O-N 3.44Å; V719-A722 PolarHBondContact O-N 3.33Å; V719-H723 VanDerWaalsContact O-CB 3.31Å; V719-H723 WeakPolarHBondContact O-CB 3.38Å; V719-H723 PolarHBondContact O-N 3.39Å; V719-W779 HydrophobicContact CG1-CH2 4.38Å; V719-W779 HydrophobicContact CG1-CZ3 4.09Å; V719-M782 HydrophobicContact CG2-CE 4.15Å; V719-I798 HydrophobicContact CG2-CG2 4.14Å
720	S	86.2	Confident	82.8	Confident	59 Å²	59	45.2 Å²	45.2	41%	0.413	23%	0.227	S	C	.	.	H	α-helix	trans	-66.1	-38.7	179.5	60.5	0	0	0	0	112.1	K716 E717 H723 R724	K716-S720 VanDerWaalsContact O-CB 3.28Å; K716-S720 WeakPolarHBondContact O-CB 3.44Å; K716-S720 PolarHBondContact O-N 3.02Å; K716-S720 PolarHBondContact O-OG 2.87Å; E717-S720 WeakPolarHBondContact CA-OG 3.45Å; E717-S720 PolarHBondContact O-N 3.49Å; E717-S720 PolarHBondContact O-OG 2.98Å; S720-H723 PolarHBondContact O-N 3.37Å; S720-R724 VanDerWaalsContact O-CB 3.3Å; S720-R724 WeakPolarHBondContact O-CB 3.09Å; S720-R724 PolarHBondContact O-N 3.05Å
721	N	86.3	Confident	82.1	Confident	47 Å²	47	47.1 Å²	47.1	25%	0.251	25%	0.247	S	C	.	.	H	α-helix	trans	-64.3	-47.2	174	-76.7	-25.7	0	0	0	111.9	E717 I718 H723 R724 L725	E717-N721 VanDerWaalsContact O-CB 3.25Å; E717-N721 WeakPolarHBondContact O-CB 3.46Å; E717-N721 VanDerWaalsContact O-CG 3.26Å; E717-N721 PolarHBondContact O-N 2.67Å; E717-N721 PolarHBondContact O-ND2 3.32Å; I718-N721 PolarHBondContact O-N 3.46Å; N721-H723 PolarHBondContact O-N 2.84Å; N721-R724 PolarHBondContact O-N 3.29Å; N721-L725 WeakPolarHBondContact O-CG 3.41Å; N721-L725 PolarHBondContact O-N 3.15Å
722	A	86.3	Confident	81.2	Confident	2 Å²	2	47.9 Å²	47.9	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-42.2	176.6	0	0	0	0	0	112.1	T683 L686 I718 V719 L725 L726 W779	T683-A722 WeakPolarHBondContact O-CB 3.37Å; L686-A722 HydrophobicContact CB-CB 4.31Å; I718-A722 WeakPolarHBondContact O-CB 3.48Å; I718-A722 PolarHBondContact O-N 2.92Å; V719-A722 PolarHBondContact O-N 3.33Å; A722-L725 PolarHBondContact O-N 3.3Å; A722-L726 PolarHBondContact O-N 2.96Å; A722-W779 HydrophobicContact CB-CH2 3.85Å; A722-W779 HydrophobicContact CB-CZ2 3.72Å
723	H	86.1	Confident	79.6	Confident	65 Å²	65	50.1 Å²	50.1	30%	0.301	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-41.2	176.6	-175.9	78.6	0	0	0	112.1	V719 S720 N721 L726 C727 W779 I809	V719-H723 VanDerWaalsContact O-CB 3.31Å; V719-H723 WeakPolarHBondContact O-CB 3.38Å; V719-H723 PolarHBondContact O-N 3.39Å; S720-H723 PolarHBondContact O-N 3.37Å; N721-H723 PolarHBondContact O-N 2.84Å; H723-L726 PolarHBondContact O-N 2.94Å; H723-C727 PolarHBondContact O-N 3.46Å; H723-C727 PolarHBondContact O-SG 2.95Å; H723-W779 HydrophobicContact CB-CH2 4.1Å; H723-W779 HydrophobicContact CB-CZ2 4.44Å; H723-I809 WeakPolarHBondContact CE1-CD1 3.45Å
724	R	83.1	Confident	77.6	Confident	133 Å²	133	52.6 Å²	52.6	50%	0.502	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-44	174.9	-173.7	-177.8	66.6	80.3	1	111.5	S720 N721 C727 I728	S720-R724 VanDerWaalsContact O-CB 3.3Å; S720-R724 WeakPolarHBondContact O-CB 3.09Å; S720-R724 PolarHBondContact O-N 3.05Å; N721-R724 PolarHBondContact O-N 3.29Å; R724-C727 PolarHBondContact O-N 3.47Å; R724-I728 HydrophobicContact CG-CD1 3.92Å; R724-I728 VanDerWaalsContact NH1-CD1 3.27Å; R724-I728 VanDerWaalsContact O-CG1 3.31Å; R724-I728 WeakPolarHBondContact O-CG1 3.32Å; R724-I728 PolarHBondContact O-N 3.42Å
725	L	81.9	Confident	75.5	Confident	45 Å²	45	52.8 Å²	52.8	24%	0.236	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-46.5	176	-74.7	170.7	0	0	0	111.5	N721 A722 C727 I728 A729 V747	N721-L725 WeakPolarHBondContact O-CG 3.41Å; N721-L725 PolarHBondContact O-N 3.15Å; A722-L725 PolarHBondContact O-N 3.3Å; L725-C727 PolarHBondContact O-N 2.91Å; L725-I728 PolarHBondContact O-N 3.46Å; L725-A729 WeakPolarHBondContact O-CB 3.36Å; L725-A729 PolarHBondContact O-N 2.88Å; L725-V747 HydrophobicContact CD2-CG2 4.29Å
726	L	82.9	Confident	73.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-45.9	176.7	-177	66.7	0	0	0	112.1	L682 A722 H723 L730 V775 I806 I809 F810	L682-L726 HydrophobicContact CB-CD1 4.42Å; L682-L726 HydrophobicContact CD2-CD1 4.38Å; A722-L726 PolarHBondContact O-N 2.96Å; H723-L726 PolarHBondContact O-N 2.94Å; L726-L730 HydrophobicContact CD1-CD1 3.76Å; L726-L730 HydrophobicContact CD1-CG 4.45Å; L726-L730 HydrophobicContact CG-CD1 4.04Å; L726-L730 WeakPolarHBondContact O-CB 3.48Å; L726-L730 WeakPolarHBondContact O-CG 3.31Å; L726-L730 PolarHBondContact O-N 2.88Å; L726-L730 VanDerWaalsContact O-N 3.16Å; L726-V775 HydrophobicContact CD1-CG1 4.06Å; L726-V775 HydrophobicContact CD2-CG1 4.48Å; L726-I806 HydrophobicContact CD2-CD1 4.08Å; L726-I806 HydrophobicContact CD2-CG2 4.15Å; L726-I809 HydrophobicContact CD2-CD1 3.94Å; L726-I809 HydrophobicContact CD2-CG2 4.34Å; L726-I809 HydrophobicContact CG-CG2 4.32Å; L726-F810 HydrophobicContact CD1-CE2 4.13Å; L726-F810 HydrophobicContact CD1-CZ 3.96Å
727	C	81.1	Confident	70.6	Confident	25 Å²	25	60.1 Å²	60.1	17%	0.169	35%	0.346	C	S	.	.	H	α-helix	trans	-65.6	-37.7	179.2	-75.3	0	0	0	0	113.1	H723 R724 L725 G731 R732	H723-C727 PolarHBondContact O-N 3.46Å; H723-C727 PolarHBondContact O-SG 2.95Å; R724-C727 PolarHBondContact O-N 3.47Å; L725-C727 PolarHBondContact O-N 2.91Å; C727-G731 PolarHBondContact O-N 3.4Å; C727-R732 HydrophobicContact CB-CB 4.42Å; C727-R732 PolarHBondContact O-N 3.46Å
728	I	77.5	Confident	67.9	Low	56 Å²	56	65.6 Å²	65.6	29%	0.287	36%	0.361	S	S	.	.	H	α-helix	trans	-67.9	-49.8	176.5	-69.2	167.8	0	0	0	110.5	R724 L725 L730 G731	R724-I728 HydrophobicContact CG-CD1 3.92Å; R724-I728 VanDerWaalsContact NH1-CD1 3.27Å; R724-I728 VanDerWaalsContact O-CG1 3.31Å; R724-I728 WeakPolarHBondContact O-CG1 3.32Å; R724-I728 PolarHBondContact O-N 3.42Å; L725-I728 PolarHBondContact O-N 3.46Å; I728-L730 PolarHBondContact O-N 2.74Å; I728-G731 PolarHBondContact O-N 3.41Å
729	A	73.8	Confident	65.6	Low	1 Å²	1	70.3 Å²	70.3	1%	0.008	39%	0.392	C	S	.	.	H	α-helix	trans	-62.3	-30.5	-176.7	0	0	0	0	0	113.2	L682 L725 V747 L750	L682-A729 HydrophobicContact CD2-CB 3.28Å; L725-A729 WeakPolarHBondContact O-CB 3.36Å; L725-A729 PolarHBondContact O-N 2.88Å; A729-V747 HydrophobicContact CB-CB 4.45Å; A729-V747 HydrophobicContact CB-CG1 3.68Å; A729-L750 PolarHBondContact O-N 3.48Å
730	L	73	Confident	62.9	Low	18 Å²	18	77.1 Å²	77.1	9%	0.094	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	2.9	176	-65.3	172.1	0	0	0	113.6	L726 I728 I809 F810 N813	L726-L730 HydrophobicContact CD1-CD1 3.76Å; L726-L730 HydrophobicContact CD1-CG 4.45Å; L726-L730 HydrophobicContact CG-CD1 4.04Å; L726-L730 WeakPolarHBondContact O-CB 3.48Å; L726-L730 WeakPolarHBondContact O-CG 3.31Å; L726-L730 PolarHBondContact O-N 2.88Å; L726-L730 VanDerWaalsContact O-N 3.16Å; I728-L730 PolarHBondContact O-N 2.74Å; L730-I809 HydrophobicContact CD1-CG2 3.69Å; L730-F810 HydrophobicContact CD1-CD1 3.99Å; L730-F810 HydrophobicContact CD1-CD2 4.39Å; L730-F810 HydrophobicContact CD1-CE1 3.9Å; L730-F810 HydrophobicContact CD1-CE2 4.31Å; L730-F810 HydrophobicContact CD1-CG 4.24Å; L730-F810 HydrophobicContact CD1-CZ 4.07Å; L730-F810 HydrophobicContact CD2-CD1 4.14Å; L730-F810 HydrophobicContact CD2-CE1 3.97Å; L730-N813 PolarHBondContact O-ND2 3.38Å
731	G	65.7	Low	60.3	Low	42 Å²	42	79.7 Å²	79.7	43%	0.433	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	26.9	173.4	0	0	0	0	0	115.9	C727 I728	C727-G731 PolarHBondContact O-N 3.4Å; I728-G731 PolarHBondContact O-N 3.41Å
732	R	61.2	Low	57.6	Low	98 Å²	98	83.2 Å²	83.2	37%	0.37	47%	0.465	S	S	.	.			trans	-86.8	-6.5	178.7	-67.8	-174.4	75.2	131.7	1.1	115.1	C727 S734 D812	C727-R732 HydrophobicContact CB-CB 4.42Å; C727-R732 PolarHBondContact O-N 3.46Å; R732-S734 PolarHBondContact O-N 2.86Å; R732-D812 IonicContact CZ-OD2 2.87Å; R732-D812 VanDerWaalsContact CZ-OD2 3.25Å; R732-D812 IonicContact NH1-OD2 3.25Å; R732-D812 PolarHBondContact NH1-OD2 2.98Å; R732-D812 IonicContact NH2-OD2 2.74Å; R732-D812 PolarHBondContact NH2-OD2 3.39Å
733	S	46.7	Very low	54.9	Low	73 Å²	73	88.7 Å²	88.7	51%	0.51	49%	0.494	S	S	.	.			trans	-79.1	109.5	-179.1	-168.2	0	0	0	0	111.7	S735	S733-S735 PolarHBondContact O-N 3.14Å; S733-S735 VanDerWaalsContact O-N 3.17Å; S733-S735 PolarHBondContact OG-OG 3.42Å
734	S	41.9	Very low	52.5	Low	121 Å²	121	92.8 Å²	92.8	85%	0.846	51%	0.513	S	S	*	.			trans	-73.2	11.2	174	-60.2	0	0	0	0	114.5	R732 S736	R732-S734 PolarHBondContact O-N 2.86Å; S734-S736 PolarHBondContact O-N 2.81Å
735	S	39.2	Very low	50.2	Low	99 Å²	99	93.7 Å²	93.7	69%	0.692	53%	0.528	S	S	*	.			trans	-79.9	62	176.4	74.3	0	0	0	0	111.4	S733 N737	S733-S735 PolarHBondContact O-N 3.14Å; S733-S735 VanDerWaalsContact O-N 3.17Å; S733-S735 PolarHBondContact OG-OG 3.42Å; S735-N737 PolarHBondContact O-N 3.36Å
736	S	36.6	Very low	48.6	Very low	106 Å²	106	96.7 Å²	96.7	74%	0.741	55%	0.548	S	S	*	.			trans	-80.3	4.6	177.3	-172	0	0	0	0	113.8	S734	S734-S736 PolarHBondContact O-N 2.81Å
737	N	32	Very low	47	Very low	154 Å²	154	98.9 Å²	98.9	82%	0.824	56%	0.561	S	S	*	*			trans	-119.3	69.4	-176	-76.6	2.4	0	0	0	112.3	S735	S735-N737 PolarHBondContact O-N 3.36Å
738	R	30.3	Very low	45.8	Very low	225 Å²	225	99.8 Å²	99.8	85%	0.849	57%	0.567	S	S	*	*			trans	-158.9	96.9	151.1	-127	176.3	-179.9	168.8	-0.3	109.2
739	P	37.9	Very low	45.6	Very low	103 Å²	103	100.2 Å²	100.2	67%	0.669	57%	0.57	S	S	*	*			trans	-67.1	160.6	156.4	33	-28.8	0	0	0	107
740	D	30	Very low	45.9	Very low	147 Å²	147	100.4 Å²	100.4	79%	0.786	57%	0.571	S	S	*	*			trans	82.2	62.2	176.5	-41.1	-26.2	0	0	0	114.8
741	T	32.3	Very low	46.2	Very low	114 Å²	114	103 Å²	103	70%	0.699	58%	0.579	S	S	*	*			trans	-169	103.4	133.2	19.7	0	0	0	0	107.1	N743	T741-N743 PolarHBondContact O-N 2.83Å
742	V	29.5	Very low	46.9	Very low	121 Å²	121	106.3 Å²	106.3	73%	0.733	58%	0.582	S	S	*	*			trans	-70.8	72.1	176.3	-174.6	0	0	0	0	108.5	H744	V742-H744 PolarHBondContact O-N 3.48Å
743	N	30.4	Very low	48	Very low	117 Å²	117	102.3 Å²	102.3	63%	0.626	57%	0.568	S	S	*	*			trans	-81.2	98.9	164.7	-82.3	-9.6	0	0	0	106.6	T741 N745 T746	T741-N743 PolarHBondContact O-N 2.83Å; N743-N745 PolarHBondContact O-N 3.07Å; N743-T746 PolarHBondContact O-N 3.16Å
744	H	34.3	Very low	49.8	Very low	151 Å²	151	98.9 Å²	98.9	70%	0.699	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	4.9	175.9	-89.9	-75.4	0	0	0	115.7	V742	V742-H744 PolarHBondContact O-N 3.48Å
745	N	35.4	Very low	51.8	Low	151 Å²	151	97.8 Å²	97.8	81%	0.807	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	11.8	-176.4	-68	-6.3	0	0	0	113.8	N743 V747	N743-N745 PolarHBondContact O-N 3.07Å; N745-V747 PolarHBondContact O-N 3.09Å; N745-V747 VanDerWaalsContact O-N 3.13Å
746	T	47.7	Very low	53.9	Low	108 Å²	108	93.7 Å²	93.7	66%	0.663	50%	0.496	S	S	*	.	S	Bend	trans	-66.5	111.5	168.4	53.4	0	0	0	0	108.4	N743 P748	N743-T746 PolarHBondContact O-N 3.16Å; T746-P748 WeakPolarHBondContact O-CD 3.46Å
747	V	50.5	Low	56.3	Low	46 Å²	46	88.7 Å²	88.7	28%	0.279	46%	0.461	S	S	.	.			trans	-47.5	114.6	177.5	-179.5	0	0	0	0	108.4	L725 A729 N745	L725-V747 HydrophobicContact CD2-CG2 4.29Å; A729-V747 HydrophobicContact CB-CB 4.45Å; A729-V747 HydrophobicContact CB-CG1 3.68Å; N745-V747 PolarHBondContact O-N 3.09Å; N745-V747 VanDerWaalsContact O-N 3.13Å
748	P	55.9	Low	58.8	Low	45 Å²	45	82 Å²	82	29%	0.292	43%	0.425	S	S	.	.			trans	-60.2	143.2	-176.7	23.3	-32.1	0	0	0	109.2	I582 T746 L750	I582-P748 HydrophobicContact CD1-CG 3.71Å; T746-P748 WeakPolarHBondContact O-CD 3.46Å; P748-L750 PolarHBondContact O-N 3Å
749	N	73.2	Confident	61	Low	65 Å²	65	72.2 Å²	72.2	35%	0.348	39%	0.393	S	S	.	.			trans	-61.5	102.8	-179.7	-178.5	-18.4	0	0	0	108.9	R751 K752 C753	N749-R751 PolarHBondContact O-N 3.37Å; N749-R751 VanDerWaalsContact O-N 3.12Å; N749-R751 PolarHBondContact OD1-N 3.33Å; N749-K752 HydrophobicContact CB-CB 3.93Å; N749-K752 WeakPolarHBondContact O-CA 3.03Å; N749-K752 WeakPolarHBondContact O-CB 3.45Å; N749-K752 PolarHBondContact O-N 2.77Å; N749-K752 PolarHBondContact OD1-N 3.39Å; N749-C753 PolarHBondContact O-N 3.39Å
750	L	80.7	Confident	63	Low	4 Å²	4	69 Å²	69	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-53.2	-39.3	-172.1	174	62.7	0	0	0	111.7	F674 Q678 L682 A729 P748 C753 L754 I771	F674-L750 HydrophobicContact CZ-CD1 3.91Å; Q678-L750 HydrophobicContact CG-CD1 4.2Å; L682-L750 HydrophobicContact CD1-CD2 4.12Å; A729-L750 PolarHBondContact O-N 3.48Å; P748-L750 PolarHBondContact O-N 3Å; L750-C753 PolarHBondContact O-N 3.42Å; L750-L754 HydrophobicContact CD1-CD1 4.19Å; L750-L754 HydrophobicContact CD1-CG 4.33Å; L750-L754 HydrophobicContact CG-CD1 4.02Å; L750-L754 WeakPolarHBondContact O-CB 3.47Å; L750-L754 WeakPolarHBondContact O-CG 3.39Å; L750-L754 PolarHBondContact O-N 2.72Å; L750-I771 HydrophobicContact CD2-CD1 4.2Å; L750-I771 HydrophobicContact CD2-CG2 4.4Å
751	R	77.9	Confident	65.3	Low	72 Å²	72	65.5 Å²	65.5	27%	0.272	36%	0.355	S	S	.	.	H	α-helix	trans	-69.7	-39.1	179.6	-169.4	173.5	-178.2	-168.6	-5.4	112	N749 C753 L754 H755 N813 S817	N749-R751 PolarHBondContact O-N 3.37Å; N749-R751 VanDerWaalsContact O-N 3.12Å; N749-R751 PolarHBondContact OD1-N 3.33Å; R751-C753 VanDerWaalsContact C-N 3.35Å; R751-L754 PolarHBondContact O-N 3.38Å; R751-H755 VanDerWaalsContact O-CB 3.29Å; R751-H755 WeakPolarHBondContact O-CB 3.36Å; R751-H755 PolarHBondContact O-N 2.89Å; R751-N813 PolarHBondContact NH1-O 3.16Å; R751-S817 PolarHBondContact NH2-OG 3.4Å
752	K	80.6	Confident	67.7	Low	112 Å²	112	65.4 Å²	65.4	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-45.7	174.9	-166.6	-162.9	179.4	-143.4	0	110	E460 N749 H755 I756	E460-K752 IonicContact OE1-NZ 3.77Å; E460-K752 PolarHBondContact OE1-NZ 3.02Å; N749-K752 HydrophobicContact CB-CB 3.93Å; N749-K752 WeakPolarHBondContact O-CA 3.03Å; N749-K752 WeakPolarHBondContact O-CB 3.45Å; N749-K752 PolarHBondContact O-N 2.77Å; N749-K752 PolarHBondContact OD1-N 3.39Å; K752-H755 PolarHBondContact O-N 3.29Å; K752-I756 HydrophobicContact CD-CD1 4.14Å; K752-I756 HydrophobicContact CG-CD1 3.82Å; K752-I756 HydrophobicContact CG-CG1 4.49Å; K752-I756 WeakPolarHBondContact O-CD1 3.45Å; K752-I756 WeakPolarHBondContact O-CG1 3.37Å; K752-I756 PolarHBondContact O-N 3.09Å
753	C	83.7	Confident	70.3	Confident	14 Å²	14	61.3 Å²	61.3	10%	0.095	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-49.7	177.1	-65.4	0	0	0	0	111.7	I582 L586 N749 L750 R751 H755 I756 Y757	I582-C753 HydrophobicContact CG2-CB 4.16Å; L586-C753 HydrophobicContact CD1-CB 3.81Å; N749-C753 PolarHBondContact O-N 3.39Å; L750-C753 PolarHBondContact O-N 3.42Å; R751-C753 VanDerWaalsContact C-N 3.35Å; C753-H755 VanDerWaalsContact C-N 3.25Å; C753-H755 PolarHBondContact O-N 3.31Å; C753-I756 PolarHBondContact O-N 3Å; C753-Y757 WeakPolarHBondContact O-CD2 3.37Å; C753-Y757 PolarHBondContact O-N 3.43Å; C753-Y757 VanDerWaalsContact O-N 3.09Å
754	L	84.9	Confident	72.9	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-53.7	-45.3	176	-79.5	167	0	0	0	111.7	L586 F674 L750 R751 Y757 L758 E764 L767 L768	L586-L754 HydrophobicContact CD2-CD2 3.73Å; F674-L754 HydrophobicContact CE1-CD2 4.2Å; F674-L754 HydrophobicContact CZ-CD2 4.27Å; L750-L754 HydrophobicContact CD1-CD1 4.19Å; L750-L754 HydrophobicContact CD1-CG 4.33Å; L750-L754 HydrophobicContact CG-CD1 4.02Å; L750-L754 WeakPolarHBondContact O-CB 3.47Å; L750-L754 WeakPolarHBondContact O-CG 3.39Å; L750-L754 PolarHBondContact O-N 2.72Å; R751-L754 PolarHBondContact O-N 3.38Å; L754-Y757 PolarHBondContact O-N 3.13Å; L754-L758 HydrophobicContact CD2-CD1 3.94Å; L754-L758 WeakPolarHBondContact O-CB 3.46Å; L754-L758 PolarHBondContact O-N 3.38Å; L754-E764 HydrophobicContact CB-CG 4.28Å; L754-L767 HydrophobicContact CD2-CD1 4.14Å; L754-L768 HydrophobicContact CD1-CD1 4.46Å
755	H	84.1	Confident	75.3	Confident	97 Å²	97	51.5 Å²	51.5	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-42.4	179.8	-172.8	56.5	0	0	0	113.5	R751 K752 C753 Y757 A759 E764	R751-H755 VanDerWaalsContact O-CB 3.29Å; R751-H755 WeakPolarHBondContact O-CB 3.36Å; R751-H755 PolarHBondContact O-N 2.89Å; K752-H755 PolarHBondContact O-N 3.29Å; C753-H755 VanDerWaalsContact C-N 3.25Å; C753-H755 PolarHBondContact O-N 3.31Å; H755-Y757 VanDerWaalsContact C-N 3.35Å; H755-Y757 PolarHBondContact O-N 2.91Å; H755-A759 WeakPolarHBondContact O-CA 3.3Å; H755-A759 PolarHBondContact O-N 3.32Å; H755-E764 WeakPolarHBondContact CA-OE1 3.31Å; H755-E764 IonicContact ND1-OE1 3.12Å; H755-E764 PolarHBondContact ND1-OE1 3.17Å; H755-E764 IonicContact ND1-OE2 3.87Å
756	I	83.5	Confident	77.8	Confident	14 Å²	14	50 Å²	50	7%	0.072	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-41.3	178.7	-70.6	162.2	0	0	0	111.4	P456 L459 E460 K752 C753	P456-I756 HydrophobicContact CB-CG2 4.43Å; L459-I756 HydrophobicContact CB-CG2 3.5Å; L459-I756 HydrophobicContact CD1-CG2 4.13Å; L459-I756 HydrophobicContact CG-CG2 4.48Å; E460-I756 HydrophobicContact CG-CD1 3.85Å; E460-I756 HydrophobicContact CG-CG2 4.3Å; K752-I756 HydrophobicContact CD-CD1 4.14Å; K752-I756 HydrophobicContact CG-CD1 3.82Å; K752-I756 HydrophobicContact CG-CG1 4.49Å; K752-I756 WeakPolarHBondContact O-CD1 3.45Å; K752-I756 WeakPolarHBondContact O-CG1 3.37Å; K752-I756 PolarHBondContact O-N 3.09Å; C753-I756 PolarHBondContact O-N 3Å
757	Y	86.6	Confident	79.7	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-83.5	-50.3	-175.3	-81.6	-88.9	0	0	0	113.4	Y455 P456 L459 D583 L586 F587 K590 C753 L754 H755	Y455-Y757 HydrophobicContact CD1-CE1 4.19Å; P456-Y757 HydrophobicContact CB-CE2 3.84Å; P456-Y757 WeakPolarHBondContact CB-OH 3.41Å; L459-Y757 HydrophobicContact CD1-CD1 3.58Å; L459-Y757 HydrophobicContact CD1-CE1 3.77Å; L459-Y757 HydrophobicContact CD1-CG 3.98Å; D583-Y757 HydrophobicContact CB-CE2 4.48Å; D583-Y757 VanDerWaalsContact CB-OH 3.23Å; D583-Y757 WeakPolarHBondContact CB-OH 3.07Å; D583-Y757 WeakPolarHBondContact OD1-CE2 3.37Å; D583-Y757 PolarHBondContact OD1-OH 3.33Å; L586-Y757 HydrophobicContact CB-CD1 3.92Å; L586-Y757 HydrophobicContact CB-CD2 3.8Å; L586-Y757 HydrophobicContact CB-CE1 4.41Å; L586-Y757 HydrophobicContact CB-CE2 4.31Å; L586-Y757 HydrophobicContact CB-CG 3.59Å; L586-Y757 HydrophobicContact CD1-CD2 3.79Å; L586-Y757 HydrophobicContact CD1-CE2 4.4Å; L586-Y757 HydrophobicContact CD1-CG 4.27Å; L586-Y757 HydrophobicContact CG-CD2 4.47Å; F587-Y757 HydrophobicContact CB-CE1 4Å; K590-Y757 WeakPolarHBondContact CD-O 3.33Å; K590-Y757 WeakPolarHBondContact CG-O 3.31Å; K590-Y757 PolarHBondContact NZ-O 3.43Å; C753-Y757 WeakPolarHBondContact O-CD2 3.37Å; C753-Y757 PolarHBondContact O-N 3.43Å; C753-Y757 VanDerWaalsContact O-N 3.09Å; L754-Y757 PolarHBondContact O-N 3.13Å; H755-Y757 VanDerWaalsContact C-N 3.35Å; H755-Y757 PolarHBondContact O-N 2.91Å
758	L	84.4	Confident	81.4	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-87.6	-32.8	-170.4	-60	178.9	0	0	0	112.6	I589 K590 L593 L754 N760 E764 L767	I589-L758 HydrophobicContact CG2-CD2 3.9Å; K590-L758 HydrophobicContact CB-CD2 4.42Å; L593-L758 HydrophobicContact CD1-CD2 4.18Å; L754-L758 HydrophobicContact CD2-CD1 3.94Å; L754-L758 WeakPolarHBondContact O-CB 3.46Å; L754-L758 PolarHBondContact O-N 3.38Å; L758-N760 PolarHBondContact O-N 3.02Å; L758-E764 HydrophobicContact CB-CG 4.01Å; L758-E764 HydrophobicContact CD1-CG 4.26Å; L758-L767 HydrophobicContact CD1-CD1 3.69Å
759	A	76.4	Confident	83	Confident	21 Å²	21	50.6 Å²	50.6	17%	0.174	25%	0.25	C	C	.	.			trans	47.8	20.8	-179.7	0	0	0	0	0	114.9	S520 A522 H755 E764	S520-A759 WeakPolarHBondContact CB-O 3.5Å; S520-A759 PolarHBondContact OG-O 2.95Å; A522-A759 HydrophobicContact CB-CB 3.67Å; H755-A759 WeakPolarHBondContact O-CA 3.3Å; H755-A759 PolarHBondContact O-N 3.32Å; A759-E764 PolarHBondContact N-OE1 3Å
760	N	81.6	Confident	83.8	Confident	34 Å²	34	55.2 Å²	55.2	18%	0.182	26%	0.262	C	S	.	.			trans	-130.8	109.9	179.8	178.6	-29.7	0	0	0	108.2	L758 D762 T763 E764	L758-N760 PolarHBondContact O-N 3.02Å; N760-D762 PolarHBondContact O-N 3.38Å; N760-D762 WeakPolarHBondContact OD1-CB 3.36Å; N760-D762 PolarHBondContact OD1-N 3.16Å; N760-T763 HydrophobicContact CB-CG2 4.34Å; N760-T763 WeakPolarHBondContact CB-OG1 3.48Å; N760-T763 PolarHBondContact O-N 3.38Å; N760-T763 PolarHBondContact O-OG1 3.49Å; N760-T763 PolarHBondContact OD1-N 3.49Å; N760-E764 PolarHBondContact N-OE1 2.94Å; N760-E764 VanDerWaalsContact O-CG 3.3Å; N760-E764 WeakPolarHBondContact O-CG 3.45Å; N760-E764 PolarHBondContact O-N 3.48Å
761	P	77.7	Confident	84.2	Confident	75 Å²	75	55 Å²	55	49%	0.487	26%	0.261	S	S	.	.	H	α-helix	trans	-61.7	-31.1	-172.1	26.2	-34.7	0	0	0	112.4	N765	P761-N765 WeakPolarHBondContact O-CB 3.41Å; P761-N765 PolarHBondContact O-N 3.49Å; P761-N765 PolarHBondContact O-ND2 2.88Å; P761-N765 PolarHBondContact O-OD1 2.86Å
762	D	82.4	Confident	84.8	Confident	112 Å²	112	53.4 Å²	53.4	60%	0.599	26%	0.257	S	S	*	.	H	α-helix	trans	-69	-46.4	-179.7	-65.6	-38	0	0	0	111.3	N760 N765 I766	N760-D762 PolarHBondContact O-N 3.38Å; N760-D762 WeakPolarHBondContact OD1-CB 3.36Å; N760-D762 PolarHBondContact OD1-N 3.16Å; D762-N765 PolarHBondContact O-N 3.38Å; D762-I766 WeakPolarHBondContact O-CD1 3.3Å; D762-I766 VanDerWaalsContact O-CG1 3.24Å; D762-I766 WeakPolarHBondContact O-CG1 3.39Å; D762-I766 PolarHBondContact O-N 3.43Å
763	T	84.2	Confident	85.2	Confident	35 Å²	35	51.1 Å²	51.1	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-40.7	177.3	63.3	0	0	0	0	112	N760 N765 I766 L767	N760-T763 HydrophobicContact CB-CG2 4.34Å; N760-T763 WeakPolarHBondContact CB-OG1 3.48Å; N760-T763 PolarHBondContact O-N 3.38Å; N760-T763 PolarHBondContact O-OG1 3.49Å; N760-T763 PolarHBondContact OD1-N 3.49Å; T763-N765 VanDerWaalsContact C-N 3.34Å; T763-N765 PolarHBondContact O-N 3.3Å; T763-I766 PolarHBondContact O-N 2.89Å; T763-L767 PolarHBondContact O-N 3.49Å
764	E	85.2	Confident	85.6	Confident	18 Å²	18	51.4 Å²	51.4	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-45.9	173.9	-68.4	172.2	-145	0	0	110.8	L754 H755 L758 A759 N760 I766 L767 L768	L754-E764 HydrophobicContact CB-CG 4.28Å; H755-E764 WeakPolarHBondContact CA-OE1 3.31Å; H755-E764 IonicContact ND1-OE1 3.12Å; H755-E764 PolarHBondContact ND1-OE1 3.17Å; H755-E764 IonicContact ND1-OE2 3.87Å; L758-E764 HydrophobicContact CB-CG 4.01Å; L758-E764 HydrophobicContact CD1-CG 4.26Å; A759-E764 PolarHBondContact N-OE1 3Å; N760-E764 PolarHBondContact N-OE1 2.94Å; N760-E764 VanDerWaalsContact O-CG 3.3Å; N760-E764 WeakPolarHBondContact O-CG 3.45Å; N760-E764 PolarHBondContact O-N 3.48Å; E764-I766 PolarHBondContact O-N 3.38Å; E764-L767 PolarHBondContact O-N 3.48Å; E764-L768 WeakPolarHBondContact O-CB 3.49Å; E764-L768 PolarHBondContact O-N 2.87Å
765	N	85.2	Confident	85.8	Confident	44 Å²	44	51.3 Å²	51.3	24%	0.235	26%	0.26	C	S	.	.	H	α-helix	trans	-66.8	-36.7	-179.2	-72.3	-23.7	0	0	0	112.7	P761 D762 T763 R769 W814	P761-N765 WeakPolarHBondContact O-CB 3.41Å; P761-N765 PolarHBondContact O-N 3.49Å; P761-N765 PolarHBondContact O-ND2 2.88Å; P761-N765 PolarHBondContact O-OD1 2.86Å; D762-N765 PolarHBondContact O-N 3.38Å; T763-N765 VanDerWaalsContact C-N 3.34Å; T763-N765 PolarHBondContact O-N 3.3Å; N765-R769 WeakPolarHBondContact O-CB 3.42Å; N765-R769 PolarHBondContact O-N 3.2Å; N765-W814 HydrophobicContact CB-CH2 4.24Å; N765-W814 VanDerWaalsContact CG-CH2 3.44Å; N765-W814 WeakPolarHBondContact OD1-CH2 3.43Å
766	I	86.8	Confident	86.1	Confident	119 Å²	119	47.3 Å²	47.3	61%	0.61	24%	0.242	S	C	*	.	H	α-helix	trans	-63.2	-49.4	176.5	-70.1	162.7	0	0	0	110.3	D762 T763 E764 R770	D762-I766 WeakPolarHBondContact O-CD1 3.3Å; D762-I766 VanDerWaalsContact O-CG1 3.24Å; D762-I766 WeakPolarHBondContact O-CG1 3.39Å; D762-I766 PolarHBondContact O-N 3.43Å; T763-I766 PolarHBondContact O-N 2.89Å; E764-I766 PolarHBondContact O-N 3.38Å; I766-R770 PolarHBondContact O-N 3.01Å
767	L	87.5	Confident	86.4	Confident	15 Å²	15	49.7 Å²	49.7	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-46.7	178.2	-67.8	177.1	0	0	0	111.2	C671 I675 L754 L758 T763 E764 R769 R770 I771	C671-L767 HydrophobicContact CB-CD2 4.2Å; I675-L767 HydrophobicContact CD1-CD2 4.25Å; L754-L767 HydrophobicContact CD2-CD1 4.14Å; L758-L767 HydrophobicContact CD1-CD1 3.69Å; T763-L767 PolarHBondContact O-N 3.49Å; E764-L767 PolarHBondContact O-N 3.48Å; L767-R769 PolarHBondContact O-N 2.71Å; L767-R770 PolarHBondContact O-N 2.96Å; L767-R770 VanDerWaalsContact O-N 3.15Å; L767-I771 WeakPolarHBondContact O-CG1 3.3Å; L767-I771 PolarHBondContact O-N 3.47Å
768	L	86.7	Confident	86.5	Confident	11 Å²	11	52.5 Å²	52.5	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-40.9	-179	-172.8	66.8	0	0	0	112	L754 E764 R770 I771 Q772 W814	L754-L768 HydrophobicContact CD1-CD1 4.46Å; E764-L768 WeakPolarHBondContact O-CB 3.49Å; E764-L768 PolarHBondContact O-N 2.87Å; L768-R770 VanDerWaalsContact C-N 3.29Å; L768-R770 PolarHBondContact O-N 3.18Å; L768-I771 PolarHBondContact O-N 2.97Å; L768-Q772 VanDerWaalsContact O-CB 3.24Å; L768-Q772 WeakPolarHBondContact O-CB 3.3Å; L768-Q772 PolarHBondContact O-N 3.38Å; L768-W814 HydrophobicContact CD2-CZ2 4.32Å
769	R	89.2	Confident	86.8	Confident	185 Å²	185	52 Å²	52	70%	0.698	27%	0.27	S	S	*	.	H	α-helix	trans	-61.5	-39	175.9	-177	-177.2	-71.4	177.6	-1.2	111.3	N765 L767 S773	N765-R769 WeakPolarHBondContact O-CB 3.42Å; N765-R769 PolarHBondContact O-N 3.2Å; L767-R769 PolarHBondContact O-N 2.71Å; R769-S773 WeakPolarHBondContact O-CB 3.33Å; R769-S773 PolarHBondContact O-N 2.98Å
770	R	91.3	Very high	87.4	Confident	163 Å²	163	55.7 Å²	55.7	62%	0.615	28%	0.279	S	S	*	.	H	α-helix	trans	-71.4	-40.6	179.1	-164.8	61.4	176.4	-177.1	1	111.9	I675 I766 L767 L768 S773 G774	I675-R770 HydrophobicContact CD1-CB 3.91Å; I675-R770 HydrophobicContact CD1-CG 3.62Å; I675-R770 HydrophobicContact CG1-CB 4.42Å; I675-R770 HydrophobicContact CG1-CG 4.34Å; I675-R770 HydrophobicContact CG2-CG 4.03Å; I766-R770 PolarHBondContact O-N 3.01Å; L767-R770 PolarHBondContact O-N 2.96Å; L767-R770 VanDerWaalsContact O-N 3.15Å; L768-R770 VanDerWaalsContact C-N 3.29Å; L768-R770 PolarHBondContact O-N 3.18Å; R770-S773 PolarHBondContact O-N 2.72Å; R770-G774 PolarHBondContact O-N 3.28Å
771	I	89.5	Confident	87.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-48.5	172.2	-65.4	167.3	0	0	0	110.2	F674 I675 Q678 V679 L682 L750 L767 L768 S773 G774 V775	F674-I771 HydrophobicContact CD1-CD1 4.35Å; F674-I771 HydrophobicContact CE1-CD1 3.77Å; I675-I771 HydrophobicContact CB-CG1 4.39Å; I675-I771 HydrophobicContact CG1-CG1 4.09Å; I675-I771 HydrophobicContact CG2-CG1 4.25Å; Q678-I771 HydrophobicContact CB-CD1 4Å; Q678-I771 HydrophobicContact CB-CG1 4.27Å; Q678-I771 HydrophobicContact CB-CG2 4.3Å; Q678-I771 HydrophobicContact CG-CD1 4.17Å; V679-I771 HydrophobicContact CG2-CG2 4.38Å; L682-I771 HydrophobicContact CD1-CG2 3.55Å; L750-I771 HydrophobicContact CD2-CD1 4.2Å; L750-I771 HydrophobicContact CD2-CG2 4.4Å; L767-I771 WeakPolarHBondContact O-CG1 3.3Å; L767-I771 PolarHBondContact O-N 3.47Å; L768-I771 PolarHBondContact O-N 2.97Å; I771-S773 VanDerWaalsContact C-N 3.33Å; I771-S773 PolarHBondContact O-N 2.91Å; I771-G774 PolarHBondContact O-N 3.21Å; I771-G774 VanDerWaalsContact O-N 3.12Å; I771-V775 HydrophobicContact CG2-CG2 4.34Å; I771-V775 WeakPolarHBondContact O-CG2 3.26Å; I771-V775 PolarHBondContact O-N 3.49Å
772	Q	88.9	Confident	88.1	Confident	37 Å²	37	51.8 Å²	51.8	17%	0.173	26%	0.257	C	S	.	.	H	α-helix	trans	-55.8	-47.7	176.7	177.7	-177.3	13.9	0	0	111.3	L768 G774 V775 I776 F810	L768-Q772 VanDerWaalsContact O-CB 3.24Å; L768-Q772 WeakPolarHBondContact O-CB 3.3Å; L768-Q772 PolarHBondContact O-N 3.38Å; Q772-G774 VanDerWaalsContact C-N 3.32Å; Q772-G774 PolarHBondContact O-N 3.32Å; Q772-V775 PolarHBondContact O-N 2.92Å; Q772-I776 HydrophobicContact CG-CD1 3.62Å; Q772-I776 HydrophobicContact CG-CG1 4.4Å; Q772-I776 WeakPolarHBondContact O-CB 3.33Å; Q772-I776 WeakPolarHBondContact O-CD1 3.25Å; Q772-I776 WeakPolarHBondContact O-CG1 3.49Å; Q772-I776 PolarHBondContact O-N 2.9Å; Q772-F810 HydrophobicContact CB-CD1 3.98Å; Q772-F810 HydrophobicContact CB-CE1 3.88Å; Q772-F810 HydrophobicContact CB-CG 4.34Å; Q772-F810 HydrophobicContact CB-CZ 4.16Å; Q772-F810 HydrophobicContact CG-CB 4.29Å; Q772-F810 HydrophobicContact CG-CD1 3.9Å; Q772-F810 HydrophobicContact CG-CD2 3.82Å; Q772-F810 HydrophobicContact CG-CE1 4.13Å; Q772-F810 HydrophobicContact CG-CE2 4.06Å; Q772-F810 HydrophobicContact CG-CG 3.74Å; Q772-F810 HydrophobicContact CG-CZ 4.21Å
773	S	90.4	Very high	88.4	Confident	65 Å²	65	51.2 Å²	51.2	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-40.7	177.1	-174.7	0	0	0	0	112.3	R769 R770 I771 S777	R769-S773 WeakPolarHBondContact O-CB 3.33Å; R769-S773 PolarHBondContact O-N 2.98Å; R770-S773 PolarHBondContact O-N 2.72Å; I771-S773 VanDerWaalsContact C-N 3.33Å; I771-S773 PolarHBondContact O-N 2.91Å; S773-S777 WeakPolarHBondContact O-CB 3.3Å; S773-S777 PolarHBondContact O-N 3.31Å
774	G	90.7	Very high	88.6	Confident	20 Å²	20	54.5 Å²	54.5	21%	0.206	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-46.5	177.3	0	0	0	0	0	112.4	R770 I771 Q772 S777 Q778	R770-G774 PolarHBondContact O-N 3.28Å; I771-G774 PolarHBondContact O-N 3.21Å; I771-G774 VanDerWaalsContact O-N 3.12Å; Q772-G774 VanDerWaalsContact C-N 3.32Å; Q772-G774 PolarHBondContact O-N 3.32Å; G774-S777 WeakPolarHBondContact O-CB 3.3Å; G774-S777 PolarHBondContact O-N 2.8Å; G774-Q778 PolarHBondContact O-N 2.7Å; G774-Q778 VanDerWaalsContact O-N 3.16Å
775	V	89.4	Confident	88.6	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-50.2	175.9	172.5	0	0	0	0	110.4	V679 L682 T683 L726 I771 Q772 S777 Q778 W779 F810	V679-V775 HydrophobicContact CG2-CG2 4.33Å; L682-V775 HydrophobicContact CB-CG2 3.86Å; L682-V775 HydrophobicContact CD1-CG2 3.89Å; T683-V775 HydrophobicContact CG2-CG1 4.34Å; T683-V775 HydrophobicContact CG2-CG2 4.4Å; L726-V775 HydrophobicContact CD1-CG1 4.06Å; L726-V775 HydrophobicContact CD2-CG1 4.48Å; I771-V775 HydrophobicContact CG2-CG2 4.34Å; I771-V775 WeakPolarHBondContact O-CG2 3.26Å; I771-V775 PolarHBondContact O-N 3.49Å; Q772-V775 PolarHBondContact O-N 2.92Å; V775-S777 VanDerWaalsContact C-N 3.26Å; V775-S777 PolarHBondContact O-N 2.78Å; V775-Q778 PolarHBondContact O-N 3.19Å; V775-Q778 VanDerWaalsContact O-N 3.15Å; V775-W779 PolarHBondContact O-N 2.9Å; V775-F810 HydrophobicContact CB-CE2 4.48Å; V775-F810 HydrophobicContact CB-CZ 4.24Å; V775-F810 HydrophobicContact CG1-CE2 4.15Å; V775-F810 HydrophobicContact CG1-CZ 4.21Å; V775-F810 HydrophobicContact CG2-CZ 4.46Å
776	I	90.1	Very high	88.6	Confident	13 Å²	13	52.1 Å²	52.1	7%	0.067	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-40.1	177.9	-70.2	165.9	0	0	0	111.3	Q772 Q778 W779 R780 E803 I806 R807	Q772-I776 HydrophobicContact CG-CD1 3.62Å; Q772-I776 HydrophobicContact CG-CG1 4.4Å; Q772-I776 WeakPolarHBondContact O-CB 3.33Å; Q772-I776 WeakPolarHBondContact O-CD1 3.25Å; Q772-I776 WeakPolarHBondContact O-CG1 3.49Å; Q772-I776 PolarHBondContact O-N 2.9Å; I776-Q778 VanDerWaalsContact C-N 3.35Å; I776-Q778 PolarHBondContact O-N 2.65Å; I776-W779 PolarHBondContact O-N 2.77Å; I776-R780 VanDerWaalsContact O-CB 3.32Å; I776-R780 WeakPolarHBondContact O-CB 3.45Å; I776-R780 PolarHBondContact O-N 3.38Å; I776-E803 HydrophobicContact CG2-CG 3.81Å; I776-E803 WeakPolarHBondContact CG2-OE1 3.28Å; I776-I806 HydrophobicContact CG1-CG2 4.13Å; I776-R807 HydrophobicContact CD1-CG 3.52Å; I776-R807 HydrophobicContact CG1-CG 4.27Å
777	S	90.4	Very high	88.6	Confident	64 Å²	64	48.8 Å²	48.8	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-62.2	-40.8	178.4	-169.8	0	0	0	0	112.5	S773 G774 V775 R780 S781	S773-S777 WeakPolarHBondContact O-CB 3.3Å; S773-S777 PolarHBondContact O-N 3.31Å; G774-S777 WeakPolarHBondContact O-CB 3.3Å; G774-S777 PolarHBondContact O-N 2.8Å; V775-S777 VanDerWaalsContact C-N 3.26Å; V775-S777 PolarHBondContact O-N 2.78Å; S777-R780 PolarHBondContact O-N 2.87Å; S777-S781 WeakPolarHBondContact O-CB 3.37Å; S777-S781 PolarHBondContact O-N 2.9Å
778	Q	88.6	Confident	88.4	Confident	60 Å²	60	53.8 Å²	53.8	28%	0.28	26%	0.26	S	S	.	.	H	α-helix	trans	-67	-44.5	176.8	-65.4	-64.2	-23.6	0	0	111.2	V679 T683 L686 L690 G774 V775 I776 R780 S781 M782	V679-Q778 HydrophobicContact CG1-CG 4.2Å; T683-Q778 HydrophobicContact CG2-CB 3.81Å; T683-Q778 HydrophobicContact CG2-CG 4.09Å; L686-Q778 HydrophobicContact CD2-CB 4.48Å; L690-Q778 HydrophobicContact CD1-CB 4.42Å; L690-Q778 WeakPolarHBondContact CD1-O 3.41Å; L690-Q778 VanDerWaalsContact CD1-OE1 3.23Å; G774-Q778 PolarHBondContact O-N 2.7Å; G774-Q778 VanDerWaalsContact O-N 3.16Å; V775-Q778 PolarHBondContact O-N 3.19Å; V775-Q778 VanDerWaalsContact O-N 3.15Å; I776-Q778 VanDerWaalsContact C-N 3.35Å; I776-Q778 PolarHBondContact O-N 2.65Å; Q778-R780 VanDerWaalsContact C-N 3.34Å; Q778-R780 PolarHBondContact O-N 3.4Å; Q778-S781 PolarHBondContact O-N 2.9Å; Q778-M782 PolarHBondContact O-N 2.76Å
779	W	90	Very high	88.3	Confident	1 Å²	1	57.1 Å²	57.1	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-38.4	175.4	-77.5	102.8	0	0	0	112.8	L686 V719 A722 H723 V775 I776 M782 Y783 P801 I806	L686-W779 HydrophobicContact CD2-CD2 3.77Å; L686-W779 HydrophobicContact CD2-CE3 4.04Å; L686-W779 HydrophobicContact CD2-CG 4.17Å; L686-W779 HydrophobicContact CD2-CH2 4.45Å; L686-W779 HydrophobicContact CD2-CZ2 4.22Å; L686-W779 HydrophobicContact CD2-CZ3 4.35Å; V719-W779 HydrophobicContact CG1-CH2 4.38Å; V719-W779 HydrophobicContact CG1-CZ3 4.09Å; A722-W779 HydrophobicContact CB-CH2 3.85Å; A722-W779 HydrophobicContact CB-CZ2 3.72Å; H723-W779 HydrophobicContact CB-CH2 4.1Å; H723-W779 HydrophobicContact CB-CZ2 4.44Å; V775-W779 PolarHBondContact O-N 2.9Å; I776-W779 PolarHBondContact O-N 2.77Å; W779-M782 PolarHBondContact O-N 2.85Å; W779-Y783 WeakPolarHBondContact O-CB 3.46Å; W779-Y783 PolarHBondContact O-N 3.01Å; W779-P801 HydrophobicContact CZ3-CG 4.15Å; W779-I806 HydrophobicContact CB-CG1 4.14Å; W779-I806 HydrophobicContact CD2-CD1 3.87Å; W779-I806 HydrophobicContact CD2-CG1 4.1Å; W779-I806 HydrophobicContact CE3-CD1 4.27Å; W779-I806 HydrophobicContact CG-CD1 4.12Å; W779-I806 HydrophobicContact CG-CG1 3.9Å; W779-I806 HydrophobicContact CG-CG2 4.42Å; W779-I806 HydrophobicContact CZ2-CD1 4.38Å
780	R	89.6	Confident	88	Confident	98 Å²	98	48.7 Å²	48.7	37%	0.37	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-45.8	174.3	-174.3	-170.7	-67	157.3	-3	111.4	I776 S777 Q778 M782 Y783 Q784 E803	I776-R780 VanDerWaalsContact O-CB 3.32Å; I776-R780 WeakPolarHBondContact O-CB 3.45Å; I776-R780 PolarHBondContact O-N 3.38Å; S777-R780 PolarHBondContact O-N 2.87Å; Q778-R780 VanDerWaalsContact C-N 3.34Å; Q778-R780 PolarHBondContact O-N 3.4Å; R780-M782 VanDerWaalsContact C-N 3.29Å; R780-M782 PolarHBondContact O-N 3.49Å; R780-Y783 PolarHBondContact O-N 3.48Å; R780-Q784 HydrophobicContact CG-CG 4.5Å; R780-Q784 WeakPolarHBondContact O-CB 3.26Å; R780-Q784 WeakPolarHBondContact O-CG 3.4Å; R780-Q784 PolarHBondContact O-N 3.36Å; R780-E803 IonicContact CZ-OE1 2.93Å; R780-E803 IonicContact CZ-OE2 2.76Å; R780-E803 VanDerWaalsContact CZ-OE2 3.25Å; R780-E803 IonicContact NE-OE1 3.94Å; R780-E803 IonicContact NE-OE2 3.13Å; R780-E803 PolarHBondContact NE-OE2 3.43Å; R780-E803 IonicContact NH2-OE1 3.02Å; R780-E803 PolarHBondContact NH2-OE1 2.78Å; R780-E803 IonicContact NH2-OE2 3.91Å; R780-E803 PolarHBondContact NH2-OE2 3.41Å
781	S	88.4	Confident	87.7	Confident	28 Å²	28	46.7 Å²	46.7	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-40.2	176.8	178.7	0	0	0	0	111.4	H694 S777 Q778 Q784 L785	H694-S781 PolarHBondContact CE1-OG 3.45Å; S777-S781 WeakPolarHBondContact O-CB 3.37Å; S777-S781 PolarHBondContact O-N 2.9Å; Q778-S781 PolarHBondContact O-N 2.9Å; S781-Q784 PolarHBondContact O-N 3.23Å; S781-L785 VanDerWaalsContact O-CB 3.3Å; S781-L785 WeakPolarHBondContact O-CB 3.28Å; S781-L785 PolarHBondContact O-N 2.88Å
782	M	86.7	Confident	87.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-47.6	172.5	-172.1	71	-179.6	0	0	112.4	L686 F689 L690 I715 V719 Q778 W779 R780 Q784 L785 L786	L686-M782 HydrophobicContact CD1-CB 3.81Å; L686-M782 HydrophobicContact CD1-CE 4.25Å; L686-M782 HydrophobicContact CD1-CG 3.53Å; L686-M782 HydrophobicContact CD1-SD 3.54Å; L686-M782 VanDerWaalsContact CD1-SD 3.54Å; L686-M782 HydrophobicContact CG-CB 4.5Å; F689-M782 HydrophobicContact CD1-CE 3.75Å; F689-M782 HydrophobicContact CD1-SD 3.69Å; F689-M782 HydrophobicContact CE1-CE 3.51Å; F689-M782 HydrophobicContact CE1-SD 3.78Å; F689-M782 HydrophobicContact CZ-CE 4.38Å; L690-M782 HydrophobicContact CD1-CB 4.48Å; L690-M782 HydrophobicContact CD2-CB 4.16Å; L690-M782 HydrophobicContact CD2-SD 3.85Å; L690-M782 HydrophobicContact CG-SD 4.34Å; I715-M782 HydrophobicContact CG2-CE 3.32Å; V719-M782 HydrophobicContact CG2-CE 4.15Å; Q778-M782 PolarHBondContact O-N 2.76Å; W779-M782 PolarHBondContact O-N 2.85Å; R780-M782 VanDerWaalsContact C-N 3.29Å; R780-M782 PolarHBondContact O-N 3.49Å; M782-Q784 VanDerWaalsContact C-N 3.31Å; M782-Q784 PolarHBondContact O-N 2.88Å; M782-L785 PolarHBondContact O-N 3.22Å; M782-L786 HydrophobicContact CE-CD1 4Å; M782-L786 HydrophobicContact CE-CD2 4.1Å; M782-L786 HydrophobicContact CE-CG 4.08Å; M782-L786 HydrophobicContact CG-CD1 4.2Å; M782-L786 HydrophobicContact CG-CG 4.48Å; M782-L786 VanDerWaalsContact O-CG 3.3Å; M782-L786 WeakPolarHBondContact O-CG 3.35Å; M782-L786 PolarHBondContact O-N 3.44Å
783	Y	88	Confident	87.1	Confident	100 Å²	100	58.1 Å²	58.1	39%	0.392	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-41.5	179.6	-169.8	-86.5	0	0	0	111.7	W779 R780 L786 T787 T802	W779-Y783 WeakPolarHBondContact O-CB 3.46Å; W779-Y783 PolarHBondContact O-N 3.01Å; R780-Y783 PolarHBondContact O-N 3.48Å; Y783-L786 PolarHBondContact O-N 2.96Å; Y783-T787 WeakPolarHBondContact O-CB 3.4Å; Y783-T787 PolarHBondContact O-N 3.47Å; Y783-T787 PolarHBondContact O-OG1 3.08Å; Y783-T802 HydrophobicContact CE2-CG2 3.95Å
784	Q	88.2	Confident	86.8	Confident	104 Å²	104	57 Å²	57	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-48.5	175.2	-74.3	175.6	-26.5	0	0	111.6	R780 S781 M782 L786 T787 D788	R780-Q784 HydrophobicContact CG-CG 4.5Å; R780-Q784 WeakPolarHBondContact O-CB 3.26Å; R780-Q784 WeakPolarHBondContact O-CG 3.4Å; R780-Q784 PolarHBondContact O-N 3.36Å; S781-Q784 PolarHBondContact O-N 3.23Å; M782-Q784 VanDerWaalsContact C-N 3.31Å; M782-Q784 PolarHBondContact O-N 2.88Å; Q784-L786 VanDerWaalsContact C-N 3.28Å; Q784-L786 PolarHBondContact O-N 3.21Å; Q784-T787 CarbonylContact O-C 3.56Å; Q784-T787 WeakPolarHBondContact O-CA 3.32Å; Q784-T787 WeakPolarHBondContact O-CB 3.37Å; Q784-T787 PolarHBondContact O-N 3.24Å; Q784-D788 VanDerWaalsContact O-CG 3.29Å; Q784-D788 PolarHBondContact O-N 3.24Å
785	L	85.9	Confident	86.4	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-58.2	-40.4	178	-174.9	151.8	0	0	0	112.3	F689 L690 A693 L697 L704 S781 M782 D788 H789 Y790	F689-L785 HydrophobicContact CE1-CD2 4.31Å; L690-L785 HydrophobicContact CD2-CD1 4.09Å; A693-L785 HydrophobicContact CB-CD1 3.62Å; L697-L785 HydrophobicContact CD1-CD1 4.29Å; L704-L785 HydrophobicContact CD2-CD2 3.73Å; S781-L785 VanDerWaalsContact O-CB 3.3Å; S781-L785 WeakPolarHBondContact O-CB 3.28Å; S781-L785 PolarHBondContact O-N 2.88Å; M782-L785 PolarHBondContact O-N 3.22Å; L785-D788 PolarHBondContact O-N 3.43Å; L785-H789 PolarHBondContact O-N 2.99Å; L785-Y790 HydrophobicContact CD2-CE2 4.47Å
786	L	85.2	Confident	86.1	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-68.6	-35.4	174.6	-68	178.4	0	0	0	112.7	I715 M782 Y783 Q784 D788 Y790 R795 I798 C800	I715-L786 HydrophobicContact CD1-CD2 4.44Å; I715-L786 HydrophobicContact CG2-CD2 4.26Å; M782-L786 HydrophobicContact CE-CD1 4Å; M782-L786 HydrophobicContact CE-CD2 4.1Å; M782-L786 HydrophobicContact CE-CG 4.08Å; M782-L786 HydrophobicContact CG-CD1 4.2Å; M782-L786 HydrophobicContact CG-CG 4.48Å; M782-L786 VanDerWaalsContact O-CG 3.3Å; M782-L786 WeakPolarHBondContact O-CG 3.35Å; M782-L786 PolarHBondContact O-N 3.44Å; Y783-L786 PolarHBondContact O-N 2.96Å; Q784-L786 VanDerWaalsContact C-N 3.28Å; Q784-L786 PolarHBondContact O-N 3.21Å; L786-D788 VanDerWaalsContact C-N 3.33Å; L786-Y790 HydrophobicContact CD2-CD2 3.65Å; L786-Y790 HydrophobicContact CD2-CE2 3.81Å; L786-Y790 HydrophobicContact CD2-CG 4.26Å; L786-Y790 WeakPolarHBondContact O-CB 3.48Å; L786-Y790 PolarHBondContact O-N 3.06Å; L786-R795 PolarHBondContact O-NE 3.1Å; L786-I798 HydrophobicContact CD1-CG2 3.86Å; L786-I798 HydrophobicContact CD2-CD1 3.72Å; L786-C800 HydrophobicContact CD1-CB 3.52Å
787	T	85.8	Confident	85.7	Confident	49 Å²	49	70.8 Å²	70.8	30%	0.301	35%	0.35	S	S	.	.	H	α-helix	trans	-69.1	-32.7	177.5	-57.1	0	0	0	0	111.9	Y783 Q784 R795	Y783-T787 WeakPolarHBondContact O-CB 3.4Å; Y783-T787 PolarHBondContact O-N 3.47Å; Y783-T787 PolarHBondContact O-OG1 3.08Å; Q784-T787 CarbonylContact O-C 3.56Å; Q784-T787 WeakPolarHBondContact O-CA 3.32Å; Q784-T787 WeakPolarHBondContact O-CB 3.37Å; Q784-T787 PolarHBondContact O-N 3.24Å; T787-R795 PolarHBondContact O-NH2 3.25Å
788	D	84.4	Confident	85.4	Confident	120 Å²	120	67.9 Å²	67.9	64%	0.642	33%	0.329	S	S	*	.	H	α-helix	trans	-85.2	-29.7	-175.9	-64.7	-20	0	0	0	112.9	Q784 L785 L786	Q784-D788 VanDerWaalsContact O-CG 3.29Å; Q784-D788 PolarHBondContact O-N 3.24Å; L785-D788 PolarHBondContact O-N 3.43Å; L786-D788 VanDerWaalsContact C-N 3.33Å
789	H	83.2	Confident	85.1	Confident	81 Å²	81	67.4 Å²	67.4	38%	0.375	34%	0.341	S	S	.	.	H	α-helix	trans	-117	-12.1	-169.7	-67.8	-65.5	0	0	0	116.7	L697 L704 L785	L697-H789 WeakPolarHBondContact CD1-NE2 3.35Å; L697-H789 WeakPolarHBondContact CD2-CE1 3.43Å; L697-H789 VanDerWaalsContact CD2-NE2 3.35Å; L697-H789 WeakPolarHBondContact CD2-NE2 3.48Å; L704-H789 HydrophobicContact CB-CB 4.5Å; L785-H789 PolarHBondContact O-N 2.99Å
790	Y	83.9	Confident	84.9	Confident	8 Å²	8	68.2 Å²	68.2	3%	0.031	35%	0.346	C	S	.	.	S	Bend	trans	-119.5	148.2	-176	-69.4	-96.5	0	0	0	112.1	L704 A710 I715 L785 L786 D794 R795 I798	L704-Y790 HydrophobicContact CD2-CE2 4.12Å; A710-Y790 WeakPolarHBondContact CB-OH 3.33Å; A710-Y790 WeakPolarHBondContact O-CE1 3.37Å; A710-Y790 PolarHBondContact O-OH 2.81Å; I715-Y790 HydrophobicContact CD1-CE1 4.02Å; I715-Y790 HydrophobicContact CD1-CE2 4.2Å; I715-Y790 WeakPolarHBondContact CD1-OH 3.31Å; L785-Y790 HydrophobicContact CD2-CE2 4.47Å; L786-Y790 HydrophobicContact CD2-CD2 3.65Å; L786-Y790 HydrophobicContact CD2-CE2 3.81Å; L786-Y790 HydrophobicContact CD2-CG 4.26Å; L786-Y790 WeakPolarHBondContact O-CB 3.48Å; L786-Y790 PolarHBondContact O-N 3.06Å; Y790-D794 HydrophobicContact CD1-CB 3.97Å; Y790-D794 HydrophobicContact CG-CB 4.49Å; Y790-R795 VanDerWaalsContact O-CZ 3.26Å; Y790-R795 PolarHBondContact O-NE 2.88Å; Y790-R795 PolarHBondContact O-NH2 3.37Å; Y790-I798 HydrophobicContact CD1-CD1 4.31Å
791	N	84	Confident	84.7	Confident	120 Å²	120	64.1 Å²	64.1	64%	0.642	33%	0.332	S	S	*	.			trans	-72.9	162.4	177.1	-67.6	-26.3	0	0	0	111.4	E793 D794 R795	N791-E793 VanDerWaalsContact C-N 3.26Å; N791-E793 PolarHBondContact O-N 3.44Å; N791-D794 PolarHBondContact O-N 3.27Å; N791-D794 VanDerWaalsContact O-N 3.1Å; N791-R795 WeakPolarHBondContact O-CG 3.28Å; N791-R795 PolarHBondContact O-N 3.01Å
792	D	83.5	Confident	84.6	Confident	116 Å²	116	64.8 Å²	64.8	62%	0.62	34%	0.335	S	S	*	.	H	α-helix	trans	-60.6	-34.1	-178.1	-69.3	-32.2	0	0	0	112.9	R795 M796	D792-R795 PolarHBondContact O-N 3.04Å; D792-R795 IonicContact OD1-CZ 3.52Å; D792-R795 IonicContact OD1-NE 2.77Å; D792-R795 IonicContact OD1-NH1 3.31Å; D792-R795 PolarHBondContact OD1-NH1 3.27Å; D792-M796 WeakPolarHBondContact O-CG 3.38Å; D792-M796 PolarHBondContact O-N 3.33Å; D792-M796 VanDerWaalsContact O-N 3.08Å
793	E	82.6	Confident	84.5	Confident	161 Å²	161	67 Å²	67	75%	0.752	35%	0.346	S	S	*	.	H	α-helix	trans	-63.9	-45	173.5	-66.7	-172.9	174.7	0	0	112.1	N791 R795 M796 I797	N791-E793 VanDerWaalsContact C-N 3.26Å; N791-E793 PolarHBondContact O-N 3.44Å; E793-R795 VanDerWaalsContact C-N 3.33Å; E793-R795 PolarHBondContact O-N 3.44Å; E793-M796 WeakPolarHBondContact O-CB 3.47Å; E793-M796 PolarHBondContact O-N 3.02Å; E793-I797 WeakPolarHBondContact O-CG1 3.41Å; E793-I797 PolarHBondContact O-N 3.1Å
794	D	83.6	Confident	84.3	Confident	43 Å²	43	65.7 Å²	65.7	23%	0.23	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-39.4	177.9	-65.3	-37.8	0	0	0	111.3	P712 Y790 N791 M796 I797 I798	P712-D794 HydrophobicContact CB-CB 4.38Å; Y790-D794 HydrophobicContact CD1-CB 3.97Å; Y790-D794 HydrophobicContact CG-CB 4.49Å; N791-D794 PolarHBondContact O-N 3.27Å; N791-D794 VanDerWaalsContact O-N 3.1Å; D794-M796 VanDerWaalsContact C-N 3.33Å; D794-M796 PolarHBondContact O-N 3.44Å; D794-I797 PolarHBondContact O-N 2.93Å; D794-I798 VanDerWaalsContact O-CG1 3.26Å; D794-I798 WeakPolarHBondContact O-CG1 3.42Å; D794-I798 PolarHBondContact O-N 3.23Å
795	R	83.6	Confident	84.2	Confident	76 Å²	76	65.4 Å²	65.4	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-39.4	176.2	-66.3	175.8	-148.8	178.2	2.2	112	L786 T787 Y790 N791 D792 E793 I797 I798 G799	L786-R795 PolarHBondContact O-NE 3.1Å; T787-R795 PolarHBondContact O-NH2 3.25Å; Y790-R795 VanDerWaalsContact O-CZ 3.26Å; Y790-R795 PolarHBondContact O-NE 2.88Å; Y790-R795 PolarHBondContact O-NH2 3.37Å; N791-R795 WeakPolarHBondContact O-CG 3.28Å; N791-R795 PolarHBondContact O-N 3.01Å; D792-R795 PolarHBondContact O-N 3.04Å; D792-R795 IonicContact OD1-CZ 3.52Å; D792-R795 IonicContact OD1-NE 2.77Å; D792-R795 IonicContact OD1-NH1 3.31Å; D792-R795 PolarHBondContact OD1-NH1 3.27Å; E793-R795 VanDerWaalsContact C-N 3.33Å; E793-R795 PolarHBondContact O-N 3.44Å; R795-I797 VanDerWaalsContact C-N 3.34Å; R795-I798 PolarHBondContact O-N 3.2Å; R795-G799 PolarHBondContact O-N 2.87Å
796	M	81.5	Confident	84.1	Confident	162 Å²	162	65 Å²	65	80%	0.798	35%	0.348	S	S	*	.	H	α-helix	trans	-64.2	-38.7	174.5	-73.7	-73.7	127.9	0	0	111.7	D792 E793 D794	D792-M796 WeakPolarHBondContact O-CG 3.38Å; D792-M796 PolarHBondContact O-N 3.33Å; D792-M796 VanDerWaalsContact O-N 3.08Å; E793-M796 WeakPolarHBondContact O-CB 3.47Å; E793-M796 PolarHBondContact O-N 3.02Å; D794-M796 VanDerWaalsContact C-N 3.33Å; D794-M796 PolarHBondContact O-N 3.44Å
797	I	82.6	Confident	84	Confident	83 Å²	83	70.2 Å²	70.2	43%	0.426	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-45.8	176.3	-66.8	166.4	0	0	0	111	P712 K716 E793 D794 R795	P712-I797 HydrophobicContact CB-CG2 4.47Å; K716-I797 WeakPolarHBondContact CD-O 3.2Å; K716-I797 WeakPolarHBondContact CE-O 3.42Å; K716-I797 PolarHBondContact NZ-O 3.4Å; E793-I797 WeakPolarHBondContact O-CG1 3.41Å; E793-I797 PolarHBondContact O-N 3.1Å; D794-I797 PolarHBondContact O-N 2.93Å; R795-I797 VanDerWaalsContact C-N 3.34Å
798	I	83.7	Confident	83.9	Confident	3 Å²	3	72 Å²	72	2%	0.015	37%	0.374	C	S	.	.	H	α-helix	trans	-66.9	-38.7	-177.9	-66.8	165.3	0	0	0	111.6	P712 I715 V719 L786 Y790 D794 R795 C800	P712-I798 HydrophobicContact CB-CD1 4.07Å; P712-I798 HydrophobicContact CB-CG1 3.93Å; P712-I798 WeakPolarHBondContact O-CG1 3.49Å; I715-I798 HydrophobicContact CB-CD1 4.2Å; I715-I798 HydrophobicContact CB-CG1 4.22Å; I715-I798 HydrophobicContact CB-CG2 4.45Å; I715-I798 HydrophobicContact CD1-CD1 4.33Å; I715-I798 HydrophobicContact CG2-CD1 4.09Å; I715-I798 HydrophobicContact CG2-CG1 4.25Å; I715-I798 HydrophobicContact CG2-CG2 3.71Å; V719-I798 HydrophobicContact CG2-CG2 4.14Å; L786-I798 HydrophobicContact CD1-CG2 3.86Å; L786-I798 HydrophobicContact CD2-CD1 3.72Å; Y790-I798 HydrophobicContact CD1-CD1 4.31Å; D794-I798 VanDerWaalsContact O-CG1 3.26Å; D794-I798 WeakPolarHBondContact O-CG1 3.42Å; D794-I798 PolarHBondContact O-N 3.23Å; R795-I798 PolarHBondContact O-N 3.2Å; I798-C800 HydrophobicContact CG2-CB 4.28Å; I798-C800 PolarHBondContact O-N 2.96Å
799	G	83	Confident	83.6	Confident	51 Å²	51	66.7 Å²	66.7	53%	0.526	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	41.2	176.9	0	0	0	0	0	113.6	R795 P801	R795-G799 PolarHBondContact O-N 2.87Å; G799-P801 WeakPolarHBondContact O-CD 3.39Å
800	C	86.3	Confident	83.3	Confident	18 Å²	18	63.3 Å²	63.3	12%	0.122	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-67	124.1	-179.9	-168	0	0	0	0	111.4	L786 I798	L786-C800 HydrophobicContact CD1-CB 3.52Å; I798-C800 HydrophobicContact CG2-CB 4.28Å; I798-C800 PolarHBondContact O-N 2.96Å
801	P	85.2	Confident	82.7	Confident	11 Å²	11	68.2 Å²	68.2	7%	0.071	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-60.7	141.8	177.3	-21.7	31.6	0	0	0	112.4	W779 G799 Q805 I806	W779-P801 HydrophobicContact CZ3-CG 4.15Å; G799-P801 WeakPolarHBondContact O-CD 3.39Å; P801-Q805 VanDerWaalsContact CA-OE1 3.22Å; P801-Q805 HydrophobicContact CB-CB 4.3Å; P801-I806 HydrophobicContact CB-CD1 3.75Å; P801-I806 HydrophobicContact CB-CG1 4.08Å; P801-I806 HydrophobicContact CG-CD1 4.17Å
802	T	84.6	Confident	81.3	Confident	42 Å²	42	66.1 Å²	66.1	26%	0.258	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-72.9	159	172.4	65.7	0	0	0	0	111	Y783 S804 Q805 I806	Y783-T802 HydrophobicContact CE2-CG2 3.95Å; T802-S804 PolarHBondContact O-N 3.41Å; T802-S804 VanDerWaalsContact O-N 3.15Å; T802-S804 PolarHBondContact OG1-OG 3.48Å; T802-Q805 WeakPolarHBondContact O-CB 3.13Å; T802-Q805 PolarHBondContact O-N 3.34Å; T802-Q805 WeakPolarHBondContact OG1-CG 3.17Å; T802-Q805 PolarHBondContact OG1-N 3.07Å; T802-I806 PolarHBondContact O-N 3.16Å; T802-I806 VanDerWaalsContact O-N 3.08Å
803	E	85.8	Confident	79.8	Confident	47 Å²	47	62.4 Å²	62.4	22%	0.22	32%	0.322	C	S	.	.	H	α-helix	trans	-51.9	-38.7	173.9	168.9	169.3	-175.1	0	0	112.7	I776 R780 I806 R807	I776-E803 HydrophobicContact CG2-CG 3.81Å; I776-E803 WeakPolarHBondContact CG2-OE1 3.28Å; R780-E803 IonicContact CZ-OE1 2.93Å; R780-E803 IonicContact CZ-OE2 2.76Å; R780-E803 VanDerWaalsContact CZ-OE2 3.25Å; R780-E803 IonicContact NE-OE1 3.94Å; R780-E803 IonicContact NE-OE2 3.13Å; R780-E803 PolarHBondContact NE-OE2 3.43Å; R780-E803 IonicContact NH2-OE1 3.02Å; R780-E803 PolarHBondContact NH2-OE1 2.78Å; R780-E803 IonicContact NH2-OE2 3.91Å; R780-E803 PolarHBondContact NH2-OE2 3.41Å; E803-I806 PolarHBondContact O-N 3.26Å; E803-R807 HydrophobicContact CG-CG 4.47Å; E803-R807 WeakPolarHBondContact O-CG 3.38Å; E803-R807 PolarHBondContact O-N 3.31Å; E803-R807 IonicContact OE1-CZ 2.72Å; E803-R807 IonicContact OE1-NE 3.33Å; E803-R807 PolarHBondContact OE1-NE 3.42Å; E803-R807 IonicContact OE1-NH2 3.1Å; E803-R807 PolarHBondContact OE1-NH2 3.47Å
804	S	84.2	Confident	78.2	Confident	73 Å²	73	59 Å²	59	51%	0.51	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-40.8	178.6	69.7	0	0	0	0	112.5	T802 R807 L808	T802-S804 PolarHBondContact O-N 3.41Å; T802-S804 VanDerWaalsContact O-N 3.15Å; T802-S804 PolarHBondContact OG1-OG 3.48Å; S804-R807 PolarHBondContact O-N 3.16Å; S804-L808 WeakPolarHBondContact O-CG 3.41Å; S804-L808 PolarHBondContact O-N 3.28Å
805	Q	85	Confident	76.1	Confident	98 Å²	98	62.2 Å²	62.2	46%	0.458	32%	0.32	S	S	.	.	H	α-helix	trans	-65.8	-42.5	176.6	-71.1	167.6	-21.5	0	0	110.9	P801 T802 R807 L808 I809	P801-Q805 VanDerWaalsContact CA-OE1 3.22Å; P801-Q805 HydrophobicContact CB-CB 4.3Å; T802-Q805 WeakPolarHBondContact O-CB 3.13Å; T802-Q805 PolarHBondContact O-N 3.34Å; T802-Q805 WeakPolarHBondContact OG1-CG 3.17Å; T802-Q805 PolarHBondContact OG1-N 3.07Å; Q805-R807 PolarHBondContact O-N 2.99Å; Q805-L808 PolarHBondContact O-N 3.18Å; Q805-I809 WeakPolarHBondContact O-CG1 3.49Å; Q805-I809 PolarHBondContact O-N 3.49Å
806	I	84.3	Confident	74	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-40.8	175.7	-60.5	-60.9	0	0	0	111.3	L726 I776 W779 P801 T802 E803 L808 I809 F810	L726-I806 HydrophobicContact CD2-CD1 4.08Å; L726-I806 HydrophobicContact CD2-CG2 4.15Å; I776-I806 HydrophobicContact CG1-CG2 4.13Å; W779-I806 HydrophobicContact CB-CG1 4.14Å; W779-I806 HydrophobicContact CD2-CD1 3.87Å; W779-I806 HydrophobicContact CD2-CG1 4.1Å; W779-I806 HydrophobicContact CE3-CD1 4.27Å; W779-I806 HydrophobicContact CG-CD1 4.12Å; W779-I806 HydrophobicContact CG-CG1 3.9Å; W779-I806 HydrophobicContact CG-CG2 4.42Å; W779-I806 HydrophobicContact CZ2-CD1 4.38Å; P801-I806 HydrophobicContact CB-CD1 3.75Å; P801-I806 HydrophobicContact CB-CG1 4.08Å; P801-I806 HydrophobicContact CG-CD1 4.17Å; T802-I806 PolarHBondContact O-N 3.16Å; T802-I806 VanDerWaalsContact O-N 3.08Å; E803-I806 PolarHBondContact O-N 3.26Å; I806-L808 PolarHBondContact O-N 3.47Å; I806-I809 HydrophobicContact CD1-CD1 3.94Å; I806-I809 WeakPolarHBondContact O-CB 3.02Å; I806-I809 PolarHBondContact O-N 3.04Å; I806-F810 HydrophobicContact CG2-CE2 4.29Å; I806-F810 WeakPolarHBondContact O-CD2 3.45Å
807	R	83.9	Confident	71.8	Confident	113 Å²	113	62.3 Å²	62.3	43%	0.426	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-40.3	176.1	-76.8	177.1	-178.6	-151.2	3.1	112.8	I776 E803 S804 Q805 I809 F810 Q811	I776-R807 HydrophobicContact CD1-CG 3.52Å; I776-R807 HydrophobicContact CG1-CG 4.27Å; E803-R807 HydrophobicContact CG-CG 4.47Å; E803-R807 WeakPolarHBondContact O-CG 3.38Å; E803-R807 PolarHBondContact O-N 3.31Å; E803-R807 IonicContact OE1-CZ 2.72Å; E803-R807 IonicContact OE1-NE 3.33Å; E803-R807 PolarHBondContact OE1-NE 3.42Å; E803-R807 IonicContact OE1-NH2 3.1Å; E803-R807 PolarHBondContact OE1-NH2 3.47Å; S804-R807 PolarHBondContact O-N 3.16Å; Q805-R807 PolarHBondContact O-N 2.99Å; R807-I809 PolarHBondContact O-N 3.1Å; R807-F810 PolarHBondContact O-N 3.02Å; R807-F810 VanDerWaalsContact O-N 3.15Å; R807-Q811 PolarHBondContact O-N 3.1Å; R807-Q811 VanDerWaalsContact O-N 3.15Å
808	L	82.1	Confident	69.6	Low	85 Å²	85	64 Å²	64	45%	0.445	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-34.1	175.8	-77	162	0	0	0	112	S804 Q805 I806 F810 Q811 D812	S804-L808 WeakPolarHBondContact O-CG 3.41Å; S804-L808 PolarHBondContact O-N 3.28Å; Q805-L808 PolarHBondContact O-N 3.18Å; I806-L808 PolarHBondContact O-N 3.47Å; L808-F810 PolarHBondContact O-N 3.02Å; L808-Q811 PolarHBondContact O-N 3.31Å; L808-Q811 VanDerWaalsContact O-N 3.13Å; L808-D812 PolarHBondContact O-N 2.69Å; L808-D812 VanDerWaalsContact O-N 3.11Å
809	I	78.6	Confident	67.2	Low	10 Å²	10	70.9 Å²	70.9	5%	0.051	36%	0.363	C	S	.	.	H	α-helix	trans	-59	-39.5	176.3	-60.8	165.7	0	0	0	111.5	H723 L726 L730 Q805 I806 R807	H723-I809 WeakPolarHBondContact CE1-CD1 3.45Å; L726-I809 HydrophobicContact CD2-CD1 3.94Å; L726-I809 HydrophobicContact CD2-CG2 4.34Å; L726-I809 HydrophobicContact CG-CG2 4.32Å; L730-I809 HydrophobicContact CD1-CG2 3.69Å; Q805-I809 WeakPolarHBondContact O-CG1 3.49Å; Q805-I809 PolarHBondContact O-N 3.49Å; I806-I809 HydrophobicContact CD1-CD1 3.94Å; I806-I809 WeakPolarHBondContact O-CB 3.02Å; I806-I809 PolarHBondContact O-N 3.04Å; R807-I809 PolarHBondContact O-N 3.1Å
810	F	77.3	Confident	64.8	Low	9 Å²	9	73.2 Å²	73.2	4%	0.039	37%	0.371	C	S	.	.	H	α-helix	trans	-75	-34.4	175.9	-75.4	-88.6	0	0	0	112.9	L726 L730 Q772 V775 I806 R807 L808	L726-F810 HydrophobicContact CD1-CE2 4.13Å; L726-F810 HydrophobicContact CD1-CZ 3.96Å; L730-F810 HydrophobicContact CD1-CD1 3.99Å; L730-F810 HydrophobicContact CD1-CD2 4.39Å; L730-F810 HydrophobicContact CD1-CE1 3.9Å; L730-F810 HydrophobicContact CD1-CE2 4.31Å; L730-F810 HydrophobicContact CD1-CG 4.24Å; L730-F810 HydrophobicContact CD1-CZ 4.07Å; L730-F810 HydrophobicContact CD2-CD1 4.14Å; L730-F810 HydrophobicContact CD2-CE1 3.97Å; Q772-F810 HydrophobicContact CB-CD1 3.98Å; Q772-F810 HydrophobicContact CB-CE1 3.88Å; Q772-F810 HydrophobicContact CB-CG 4.34Å; Q772-F810 HydrophobicContact CB-CZ 4.16Å; Q772-F810 HydrophobicContact CG-CB 4.29Å; Q772-F810 HydrophobicContact CG-CD1 3.9Å; Q772-F810 HydrophobicContact CG-CD2 3.82Å; Q772-F810 HydrophobicContact CG-CE1 4.13Å; Q772-F810 HydrophobicContact CG-CE2 4.06Å; Q772-F810 HydrophobicContact CG-CG 3.74Å; Q772-F810 HydrophobicContact CG-CZ 4.21Å; V775-F810 HydrophobicContact CB-CE2 4.48Å; V775-F810 HydrophobicContact CB-CZ 4.24Å; V775-F810 HydrophobicContact CG1-CE2 4.15Å; V775-F810 HydrophobicContact CG1-CZ 4.21Å; V775-F810 HydrophobicContact CG2-CZ 4.46Å; I806-F810 HydrophobicContact CG2-CE2 4.29Å; I806-F810 WeakPolarHBondContact O-CD2 3.45Å; R807-F810 PolarHBondContact O-N 3.02Å; R807-F810 VanDerWaalsContact O-N 3.15Å; L808-F810 PolarHBondContact O-N 3.02Å
811	Q	71	Confident	62.2	Low	112 Å²	112	82.3 Å²	82.3	52%	0.523	42%	0.416	S	S	.	.	H	α-helix	trans	-76.1	-39.7	-174	-75.2	179.6	-18.4	0	0	114.6	R807 L808 N813 W814	R807-Q811 PolarHBondContact O-N 3.1Å; R807-Q811 VanDerWaalsContact O-N 3.15Å; L808-Q811 PolarHBondContact O-N 3.31Å; L808-Q811 VanDerWaalsContact O-N 3.13Å; Q811-N813 PolarHBondContact O-N 3.07Å; Q811-W814 PolarHBondContact O-N 3.16Å
812	D	55.9	Low	61.1	Low	76 Å²	76	85.9 Å²	85.9	41%	0.406	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.5	-172.2	-77.5	-23.4	0	0	0	114	R732 L808	R732-D812 IonicContact CZ-OD2 2.87Å; R732-D812 VanDerWaalsContact CZ-OD2 3.25Å; R732-D812 IonicContact NH1-OD2 3.25Å; R732-D812 PolarHBondContact NH1-OD2 2.98Å; R732-D812 IonicContact NH2-OD2 2.74Å; R732-D812 PolarHBondContact NH2-OD2 3.39Å; L808-D812 PolarHBondContact O-N 2.69Å; L808-D812 VanDerWaalsContact O-N 3.11Å
813	N	50.9	Low	59.8	Low	38 Å²	38	88.2 Å²	88.2	20%	0.203	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-10.1	178.1	-76	-18	0	0	0	114.5	L730 R751 Q811	L730-N813 PolarHBondContact O-ND2 3.38Å; R751-N813 PolarHBondContact NH1-O 3.16Å; Q811-N813 PolarHBondContact O-N 3.07Å
814	W	48.1	Very low	58.4	Low	88 Å²	88	90.4 Å²	90.4	33%	0.333	46%	0.455	S	S	.	.	H	α-helix	trans	-67.8	-39.7	174.1	-80.1	75.9	0	0	0	111.7	N765 L768 Q811 S817	N765-W814 HydrophobicContact CB-CH2 4.24Å; N765-W814 VanDerWaalsContact CG-CH2 3.44Å; N765-W814 WeakPolarHBondContact OD1-CH2 3.43Å; L768-W814 HydrophobicContact CD2-CZ2 4.32Å; Q811-W814 PolarHBondContact O-N 3.16Å; W814-S817 PolarHBondContact O-OG 3.22Å
815	N	40.4	Very low	56.9	Low	111 Å²	111	91.5 Å²	91.5	59%	0.594	45%	0.452	S	S	*	.	H	α-helix	trans	-76.2	-25.1	-175.1	-73.2	-7.8	0	0	0	113.5	L819	N815-L819 PolarHBondContact O-N 3.42Å
816	R	38.9	Very low	55.1	Low	195 Å²	195	91.1 Å²	91.1	74%	0.736	45%	0.452	S	S	*	.	H	α-helix	trans	-72	-30.2	180	-78.6	-172.3	176.3	-172.3	-0.6	113.7
817	S	36.8	Very low	53.1	Low	46 Å²	46	97.1 Å²	97.1	32%	0.322	48%	0.482	S	S	.	.	H	α-helix	trans	-79.7	-23.8	177.8	60.5	0	0	0	0	113.5	R751 W814	R751-S817 PolarHBondContact NH2-OG 3.4Å; W814-S817 PolarHBondContact O-OG 3.22Å
818	I	34.8	Very low	50.9	Low	117 Å²	117	96 Å²	96	60%	0.6	49%	0.486	S	S	*	.	H	α-helix	trans	-80.9	-21.3	177.5	-62.3	171.1	0	0	0	111.3
819	L	34	Very low	48.5	Very low	149 Å²	149	96.8 Å²	96.8	78%	0.78	49%	0.489	S	S	*	.	S	Bend	trans	-93.7	-2.4	179.1	-75.7	165.1	0	0	0	114.2	N815	N815-L819 PolarHBondContact O-N 3.42Å
820	S	32.2	Very low	46	Very low	100 Å²	100	104.1 Å²	104.1	70%	0.699	53%	0.525	S	S	*	.			trans	-113.2	10.9	176.9	75.9	0	0	0	0	114.1
821	I	32.3	Very low	43.2	Very low	208 Å²	208	112.7 Å²	112.7	100%	1.067	57%	0.569	S	S	*	*			trans	-110.5	0	160.8	-56.9	173.1	0	0	0	105.1

Retrieved 821 of 821 residues in 226.9 ms (Link to these results)

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