G4VGA5_SCHMA Loading...

Sodium/potassium-transporting ATPase subunit alpha

This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.

AlphaFold DB , UniProt , Accession G4VGA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,016 aa.

						>G4VGA5_SCHMA|G4VGA5
MNVLRKIYRKVTCKKEPEKDKLKDGLDDLKQELDMDEHKIPLEELYARLNTDPENGLKSEEVRIRLERDGPNALTPPKTTPEWVKFCKTLFGGFSMLLWIGAILCFIAYGIQRSSEDEDVKDNLYLGIVLLAVVVITGCFSYYQESKSSRIMDSFKNLVPQTALVIRDGLKTEVPAESIVVGDIVEVKFGDRIPADIRIITASSFKVDNSALTGESEPQSRSTEFSNENPLETKNLAFFSTNAVDGTCRGIVISTGDRTVMGRIANLASGLELGETPIHKEINHFIHLITAVAMVLGVTFFIIAFILGYRWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMASKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNKIFEADTSENQTGARFNKSSPTWTALARIAMLCNRAEFKTGEESKPVLKRECNGDASETAILKCTELYVGKVIEYRAKNRKILEIPFNSTNKYQLSIHETDDNDERYLLVMKGAPERIIDRCSTILLNGKENSLNDEMREEFNKSYMKLGGMGERVLGFCDYRLPAETYPKNFKFNEEEPNFPVSGLRFVGLMSMIDPPRAAVPDAVAKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGSKTVEDIAAEKGIPVEEVNPREAVACVVHGSDLREMTPAQIDDILVNHPEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKQADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLVYIGFGLPLPLGTITILCIDLGTDMIPAISLAYEEAESDIMKRMPRDPLHDRLVNERLIAMAYGQIGMIQALGGFFVYFVIMAENGFWPRRLLGIRKEWDSRAVDALSDSYGQEWTYKQRKRLESTCQTAFFASIVIVQWADLIICKTRRNSVIQQGMWNKYLNFALFFETALAIFLSYCPGLDKGLRMMPLRYTWWLPALPFSILIFVYDETRKYLIRRFPGSWIEKETYY
					

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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	42.9	Very low	54.8	Low	197 Å²	197	150.7 Å²	150.7	97%	0.97	70%	0.702	S	S	*	*				0	-49.4	0	-82.6	-172.6	-158.4	0	0	114.9	V3 L4 R5	M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 PolarHBondContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 3.14Å; M1-R5 PolarHBondContact O-N 3.44Å
2	N	54.4	Low	54	Low	127 Å²	127	144.2 Å²	144.2	68%	0.679	68%	0.68	S	S	*	*	H	α-helix	trans	-61.9	-31.4	-178.4	-83.3	-16.4	0	0	0	114.6	R5 K6	N2-R5 PolarHBondContact O-N 3.25Å; N2-K6 PolarHBondContact O-N 2.84Å
3	V	60.8	Low	52.4	Low	107 Å²	107	140.1 Å²	140.1	65%	0.648	68%	0.675	S	S	*	*	H	α-helix	trans	-67.6	-47.3	172.9	-180	0	0	0	0	110.9	M1 R5 K6 I7	M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 PolarHBondContact O-N 3.12Å; V3-R5 VanDerWaalsContact C-N 3.32Å; V3-R5 PolarHBondContact O-N 3.02Å; V3-K6 WeakPolarHBondContact O-CB 3.49Å; V3-K6 PolarHBondContact O-N 3.33Å; V3-K6 VanDerWaalsContact O-N 3.1Å; V3-I7 HydrophobicContact CG1-CD1 3.98Å; V3-I7 WeakPolarHBondContact O-CG1 3.35Å; V3-I7 PolarHBondContact O-N 3.43Å
4	L	58.6	Low	51	Low	123 Å²	123	145.1 Å²	145.1	64%	0.644	69%	0.692	S	S	*	*	H	α-helix	trans	-59.9	-38.1	172.7	-83	156.4	0	0	0	112.2	M1 I7 Y8	M1-L4 PolarHBondContact O-N 3.14Å; L4-I7 PolarHBondContact O-N 3.33Å; L4-Y8 VanDerWaalsContact O-CB 3.24Å; L4-Y8 WeakPolarHBondContact O-CB 3.06Å; L4-Y8 PolarHBondContact O-N 3.37Å
5	R	57.8	Low	50	Low	187 Å²	187	143.9 Å²	143.9	71%	0.706	68%	0.683	S	S	*	*	H	α-helix	trans	-65.9	-36.6	172.9	-111.9	-177.6	-171.7	178.5	2.7	112.7	M1 N2 V3 R9	M1-R5 PolarHBondContact O-N 3.44Å; N2-R5 PolarHBondContact O-N 3.25Å; V3-R5 VanDerWaalsContact C-N 3.32Å; V3-R5 PolarHBondContact O-N 3.02Å; R5-R9 WeakPolarHBondContact O-CB 3.46Å; R5-R9 PolarHBondContact O-N 2.9Å
6	K	61.9	Low	49.1	Very low	164 Å²	164	144.3 Å²	144.3	71%	0.713	68%	0.684	S	S	*	*	H	α-helix	trans	-68.7	-39.8	173.5	-92.9	-176.3	173.6	-179.1	0	111.8	N2 V3 K10	N2-K6 PolarHBondContact O-N 2.84Å; V3-K6 WeakPolarHBondContact O-CB 3.49Å; V3-K6 PolarHBondContact O-N 3.33Å; V3-K6 VanDerWaalsContact O-N 3.1Å; K6-K10 WeakPolarHBondContact O-CB 3.04Å; K6-K10 PolarHBondContact O-N 3.09Å
7	I	58.6	Low	48.3	Very low	95 Å²	95	139.6 Å²	139.6	49%	0.487	67%	0.669	S	S	.	*	H	α-helix	trans	-65.2	-48.5	174	-66	166.9	0	0	0	109.5	V3 L4 R9 K10 V11	V3-I7 HydrophobicContact CG1-CD1 3.98Å; V3-I7 WeakPolarHBondContact O-CG1 3.35Å; V3-I7 PolarHBondContact O-N 3.43Å; L4-I7 PolarHBondContact O-N 3.33Å; I7-R9 PolarHBondContact O-N 3.44Å; I7-K10 PolarHBondContact O-N 2.85Å; I7-K10 VanDerWaalsContact O-N 3.15Å; I7-V11 HydrophobicContact CG2-CG2 4.47Å; I7-V11 VanDerWaalsContact O-CG2 3.26Å; I7-V11 WeakPolarHBondContact O-CG2 3.32Å; I7-V11 PolarHBondContact O-N 3.31Å
8	Y	57.9	Low	48	Very low	164 Å²	164	137.6 Å²	137.6	64%	0.643	66%	0.658	S	S	*	*	H	α-helix	trans	-62.9	-41.8	179.1	-156.9	-95	0	0	0	112.1	L4 V11 T12	L4-Y8 VanDerWaalsContact O-CB 3.24Å; L4-Y8 WeakPolarHBondContact O-CB 3.06Å; L4-Y8 PolarHBondContact O-N 3.37Å; Y8-V11 CarbonylContact O-C 3.58Å; Y8-V11 PolarHBondContact O-N 3.48Å; Y8-V11 VanDerWaalsContact O-N 3.16Å; Y8-T12 HydrophobicContact CD1-CG2 3.82Å; Y8-T12 HydrophobicContact CE1-CG2 3.55Å; Y8-T12 HydrophobicContact CG-CG2 4.47Å; Y8-T12 WeakPolarHBondContact O-CB 3.37Å; Y8-T12 WeakPolarHBondContact O-CG2 3.31Å; Y8-T12 PolarHBondContact O-N 2.94Å; Y8-T12 PolarHBondContact O-OG1 2.9Å
9	R	47.9	Very low	47.5	Very low	191 Å²	191	137.9 Å²	137.9	72%	0.721	66%	0.657	S	S	*	*	H	α-helix	trans	-64.4	-37.7	172.9	-91.7	-174.4	173.2	177.4	-2.3	112.9	R5 I7 V11 T12 C13	R5-R9 WeakPolarHBondContact O-CB 3.46Å; R5-R9 PolarHBondContact O-N 2.9Å; I7-R9 PolarHBondContact O-N 3.44Å; R9-V11 PolarHBondContact O-N 3.32Å; R9-T12 PolarHBondContact O-N 2.97Å; R9-C13 PolarHBondContact O-N 3.1Å; R9-C13 PolarHBondContact O-SG 3.21Å; R9-C13 VanDerWaalsContact O-SG 3.36Å
10	K	51.3	Low	46.9	Very low	190 Å²	190	135.1 Å²	135.1	83%	0.826	65%	0.645	S	S	*	*	H	α-helix	trans	-65.7	-28.7	173.1	-95.1	-172.2	171	-173.7	0	112.6	K6 I7	K6-K10 WeakPolarHBondContact O-CB 3.04Å; K6-K10 PolarHBondContact O-N 3.09Å; I7-K10 PolarHBondContact O-N 2.85Å; I7-K10 VanDerWaalsContact O-N 3.15Å
11	V	50.7	Low	46.5	Very low	113 Å²	113	135.6 Å²	135.6	69%	0.685	65%	0.645	S	S	*	*	H	α-helix	trans	-86	-24.9	177.7	176.4	0	0	0	0	112.6	I7 Y8 R9	I7-V11 HydrophobicContact CG2-CG2 4.47Å; I7-V11 VanDerWaalsContact O-CG2 3.26Å; I7-V11 WeakPolarHBondContact O-CG2 3.32Å; I7-V11 PolarHBondContact O-N 3.31Å; Y8-V11 CarbonylContact O-C 3.58Å; Y8-V11 PolarHBondContact O-N 3.48Å; Y8-V11 VanDerWaalsContact O-N 3.16Å; R9-V11 PolarHBondContact O-N 3.32Å
12	T	45.3	Very low	46.9	Very low	72 Å²	72	132.1 Å²	132.1	44%	0.442	63%	0.63	S	S	.	*	H	α-helix	trans	-110.7	-0.1	-173.5	53.1	0	0	0	0	115.6	Y8 R9 K14	Y8-T12 HydrophobicContact CD1-CG2 3.82Å; Y8-T12 HydrophobicContact CE1-CG2 3.55Å; Y8-T12 HydrophobicContact CG-CG2 4.47Å; Y8-T12 WeakPolarHBondContact O-CB 3.37Å; Y8-T12 WeakPolarHBondContact O-CG2 3.31Å; Y8-T12 PolarHBondContact O-N 2.94Å; Y8-T12 PolarHBondContact O-OG1 2.9Å; R9-T12 PolarHBondContact O-N 2.97Å; T12-K14 PolarHBondContact O-N 2.74Å
13	C	33.7	Very low	46.8	Very low	91 Å²	91	132.1 Å²	132.1	62%	0.615	62%	0.624	S	S	*	*	S	Bend	trans	-63.7	113	165.1	-84.3	0	0	0	0	108.7	R9 K15	R9-C13 PolarHBondContact O-N 3.1Å; R9-C13 PolarHBondContact O-SG 3.21Å; R9-C13 VanDerWaalsContact O-SG 3.36Å; C13-K15 PolarHBondContact O-N 2.99Å
14	K	32.1	Very low	46.4	Very low	210 Å²	210	132.4 Å²	132.4	91%	0.913	62%	0.621	S	S	*	*			trans	-46.1	88.6	161.2	-77.8	179.7	171.2	-177	0	109	T12 E16	T12-K14 PolarHBondContact O-N 2.74Å; K14-E16 PolarHBondContact O-N 2.81Å
15	K	35.6	Very low	46.7	Very low	128 Å²	128	128.1 Å²	128.1	56%	0.557	61%	0.607	S	S	*	*			trans	-70.8	118.3	152.1	-74.6	-173.3	176.9	-173.3	0	103.9	C13 E18	C13-K15 PolarHBondContact O-N 2.99Å; K15-E18 HydrophobicContact CD-CB 4.27Å; K15-E18 VanDerWaalsContact CD-CD 3.47Å; K15-E18 HydrophobicContact CD-CG 4.1Å; K15-E18 WeakPolarHBondContact CD-OE2 3.26Å; K15-E18 WeakPolarHBondContact CE-OE2 3.43Å; K15-E18 IonicContact NZ-OE1 2.71Å; K15-E18 PolarHBondContact NZ-OE1 3.31Å; K15-E18 IonicContact NZ-OE2 2.7Å; K15-E18 PolarHBondContact NZ-OE2 3.1Å
16	E	35.5	Very low	47.4	Very low	150 Å²	150	121 Å²	121	70%	0.701	58%	0.583	S	S	*	*	S	Bend	trans	-36.8	128.7	148.2	-76.4	177.1	155.8	0	0	106.8	K14 E18	K14-E16 PolarHBondContact O-N 2.81Å; E16-E18 PolarHBondContact O-N 3.33Å
17	P	36.5	Very low	47.9	Very low	65 Å²	65	117.1 Å²	117.1	42%	0.422	57%	0.57	S	S	.	*			trans	-57.8	110.4	-150	-19.8	33	0	0	0	107.2	K19 D20 K21	P17-K19 HydrophobicContact CB-CB 4.38Å; P17-K19 PolarHBondContact O-N 3Å; P17-D20 HydrophobicContact CB-CB 4.07Å; P17-D20 HydrophobicContact CG-CB 4.43Å; P17-D20 VanDerWaalsContact CG-OD2 3.3Å; P17-D20 WeakPolarHBondContact CG-OD2 3.14Å; P17-D20 PolarHBondContact O-N 3.07Å; P17-K21 PolarHBondContact O-N 3.18Å
18	E	42	Very low	48.6	Very low	102 Å²	102	117.1 Å²	117.1	48%	0.477	57%	0.571	S	S	.	*	H	α-helix	trans	-56.3	-25.1	174.9	-128.2	174.6	-167.5	0	0	108.8	K15 E16 L22	K15-E18 HydrophobicContact CD-CB 4.27Å; K15-E18 VanDerWaalsContact CD-CD 3.47Å; K15-E18 HydrophobicContact CD-CG 4.1Å; K15-E18 WeakPolarHBondContact CD-OE2 3.26Å; K15-E18 WeakPolarHBondContact CE-OE2 3.43Å; K15-E18 IonicContact NZ-OE1 2.71Å; K15-E18 PolarHBondContact NZ-OE1 3.31Å; K15-E18 IonicContact NZ-OE2 2.7Å; K15-E18 PolarHBondContact NZ-OE2 3.1Å; E16-E18 PolarHBondContact O-N 3.33Å; E18-L22 VanDerWaalsContact O-CB 3.31Å; E18-L22 WeakPolarHBondContact O-CB 3.48Å; E18-L22 WeakPolarHBondContact O-CD1 3Å; E18-L22 WeakPolarHBondContact O-CG 3.37Å; E18-L22 PolarHBondContact O-N 2.94Å
19	K	38.3	Very low	49.5	Very low	145 Å²	145	110.9 Å²	110.9	63%	0.63	55%	0.549	S	S	*	.	H	α-helix	trans	-59.5	-38.8	167.7	-77.9	-167.4	168	-164.4	0	114.8	P17 K23	P17-K19 HydrophobicContact CB-CB 4.38Å; P17-K19 PolarHBondContact O-N 3Å; K19-K23 WeakPolarHBondContact O-CB 3.39Å; K19-K23 VanDerWaalsContact O-CG 3.24Å; K19-K23 WeakPolarHBondContact O-CG 3.19Å; K19-K23 PolarHBondContact O-N 2.77Å
20	D	36.2	Very low	50.7	Low	80 Å²	80	103.6 Å²	103.6	43%	0.428	52%	0.522	S	S	.	.	H	α-helix	trans	-73.7	-44	-179.3	-72.4	-7.6	0	0	0	110.3	P17 L22 K23 D24	P17-D20 HydrophobicContact CB-CB 4.07Å; P17-D20 HydrophobicContact CG-CB 4.43Å; P17-D20 VanDerWaalsContact CG-OD2 3.3Å; P17-D20 WeakPolarHBondContact CG-OD2 3.14Å; P17-D20 PolarHBondContact O-N 3.07Å; D20-L22 VanDerWaalsContact C-N 3.31Å; D20-L22 PolarHBondContact O-N 2.88Å; D20-K23 PolarHBondContact O-N 3.12Å; D20-D24 WeakPolarHBondContact O-CB 3.41Å; D20-D24 PolarHBondContact O-N 2.84Å
21	K	39	Very low	51.7	Low	146 Å²	146	100.6 Å²	100.6	64%	0.635	51%	0.511	S	S	*	.	H	α-helix	trans	-63.2	-35.4	173.8	-72.5	-175	178.6	174.8	0	113.3	P17 G25	P17-K21 PolarHBondContact O-N 3.18Å; K21-G25 PolarHBondContact O-N 2.79Å; K21-G25 VanDerWaalsContact O-N 3.1Å
22	L	51	Low	52.6	Low	125 Å²	125	97.4 Å²	97.4	65%	0.654	49%	0.489	S	S	*	.	H	α-helix	trans	-69.9	-39.2	174.8	-78.1	165	0	0	0	111.7	E18 D20 G25 L26	E18-L22 VanDerWaalsContact O-CB 3.31Å; E18-L22 WeakPolarHBondContact O-CB 3.48Å; E18-L22 WeakPolarHBondContact O-CD1 3Å; E18-L22 WeakPolarHBondContact O-CG 3.37Å; E18-L22 PolarHBondContact O-N 2.94Å; D20-L22 VanDerWaalsContact C-N 3.31Å; D20-L22 PolarHBondContact O-N 2.88Å; L22-G25 PolarHBondContact O-N 2.91Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 PolarHBondContact O-N 2.9Å
23	K	52.2	Low	53.9	Low	127 Å²	127	95.6 Å²	95.6	55%	0.552	48%	0.476	S	S	*	.	H	α-helix	trans	-64.4	-48	174.4	-81.3	178.5	174.2	-168.8	0	111.6	K19 D20 G25 L26 D27	K19-K23 WeakPolarHBondContact O-CB 3.39Å; K19-K23 VanDerWaalsContact O-CG 3.24Å; K19-K23 WeakPolarHBondContact O-CG 3.19Å; K19-K23 PolarHBondContact O-N 2.77Å; D20-K23 PolarHBondContact O-N 3.12Å; K23-G25 VanDerWaalsContact C-N 3.26Å; K23-G25 PolarHBondContact O-N 3.06Å; K23-L26 PolarHBondContact O-N 2.65Å; K23-D27 PolarHBondContact O-N 3.44Å
24	D	53.1	Low	55.8	Low	112 Å²	112	97.8 Å²	97.8	60%	0.599	48%	0.482	S	S	*	.	H	α-helix	trans	-57.9	-42	177.6	-67.1	-15.6	0	0	0	110.9	D20 D28	D20-D24 WeakPolarHBondContact O-CB 3.41Å; D20-D24 PolarHBondContact O-N 2.84Å; D24-D28 WeakPolarHBondContact O-CB 3.49Å; D24-D28 PolarHBondContact O-N 2.78Å; D24-D28 VanDerWaalsContact O-N 3.13Å
25	G	64.7	Low	58.2	Low	34 Å²	34	88.6 Å²	88.6	35%	0.351	44%	0.442	S	S	.	.	H	α-helix	trans	-68.1	-34.3	175.6	0	0	0	0	0	113.9	K21 L22 K23 L29	K21-G25 PolarHBondContact O-N 2.79Å; K21-G25 VanDerWaalsContact O-N 3.1Å; L22-G25 PolarHBondContact O-N 2.91Å; K23-G25 VanDerWaalsContact C-N 3.26Å; K23-G25 PolarHBondContact O-N 3.06Å; G25-L29 WeakPolarHBondContact O-CG 3.42Å; G25-L29 PolarHBondContact O-N 3.49Å; G25-L29 VanDerWaalsContact O-N 3.17Å
26	L	71	Confident	60.7	Low	38 Å²	38	85.5 Å²	85.5	20%	0.199	43%	0.432	C	S	.	.	H	α-helix	trans	-73.7	-41	178.3	-147.4	94.5	0	0	0	111.5	L22 K23 D28 L29 K30 L267 L271	L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 PolarHBondContact O-N 2.9Å; K23-L26 PolarHBondContact O-N 2.65Å; L26-D28 VanDerWaalsContact C-N 3.27Å; L26-D28 PolarHBondContact O-N 3.47Å; L26-L29 WeakPolarHBondContact O-CB 3.01Å; L26-L29 PolarHBondContact O-N 2.86Å; L26-L29 VanDerWaalsContact O-N 3.11Å; L26-K30 WeakPolarHBondContact O-CG 3.44Å; L26-K30 PolarHBondContact O-N 2.69Å; L26-L267 HydrophobicContact CG-CD1 4.41Å; L26-L271 HydrophobicContact CD2-CD2 3.94Å
27	D	73.3	Confident	63.2	Low	81 Å²	81	80 Å²	80	43%	0.433	41%	0.406	S	S	.	.	H	α-helix	trans	-65.4	-33.3	177.2	-72.8	-22.7	0	0	0	111.2	K23 K30 Q31	K23-D27 PolarHBondContact O-N 3.44Å; D27-K30 WeakPolarHBondContact O-CB 3.38Å; D27-K30 PolarHBondContact O-N 3.03Å; D27-K30 IonicContact OD1-NZ 3.6Å; D27-Q31 PolarHBondContact O-N 3.5Å
28	D	74	Confident	65.8	Low	95 Å²	95	77 Å²	77	51%	0.508	39%	0.386	S	S	.	.	H	α-helix	trans	-66.4	-37.5	170	-172	46	0	0	0	112.5	D24 L26 K30 Q31 R263	D24-D28 WeakPolarHBondContact O-CB 3.49Å; D24-D28 PolarHBondContact O-N 2.78Å; D24-D28 VanDerWaalsContact O-N 3.13Å; L26-D28 VanDerWaalsContact C-N 3.27Å; L26-D28 PolarHBondContact O-N 3.47Å; D28-K30 VanDerWaalsContact C-N 3.28Å; D28-K30 PolarHBondContact O-N 3.29Å; D28-Q31 PolarHBondContact O-N 2.86Å; D28-R263 PolarHBondContact O-NH2 2.83Å
29	L	75.6	Confident	68.2	Low	34 Å²	34	76.3 Å²	76.3	18%	0.178	38%	0.382	C	S	.	.	H	α-helix	trans	-69	-25.4	173.6	-70.7	174.4	0	0	0	113.3	G25 L26 Q31 R263 N266 L267	G25-L29 WeakPolarHBondContact O-CG 3.42Å; G25-L29 PolarHBondContact O-N 3.49Å; G25-L29 VanDerWaalsContact O-N 3.17Å; L26-L29 WeakPolarHBondContact O-CB 3.01Å; L26-L29 PolarHBondContact O-N 2.86Å; L26-L29 VanDerWaalsContact O-N 3.11Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-R263 HydrophobicContact CD2-CB 4.02Å; L29-R263 HydrophobicContact CD2-CG 3.98Å; L29-N266 HydrophobicContact CD1-CB 4.03Å; L29-L267 HydrophobicContact CB-CB 4.48Å; L29-L267 HydrophobicContact CB-CD1 4.22Å
30	K	72.9	Confident	70.8	Confident	38 Å²	38	70.3 Å²	70.3	17%	0.165	36%	0.357	C	S	.	.	H	α-helix	trans	-73.6	-23.4	173.9	-70.1	-179.2	-175.5	-172	0	112.6	L26 D27 D28 L267 Q689 L692 E696	L26-K30 WeakPolarHBondContact O-CG 3.44Å; L26-K30 PolarHBondContact O-N 2.69Å; D27-K30 WeakPolarHBondContact O-CB 3.38Å; D27-K30 PolarHBondContact O-N 3.03Å; D27-K30 IonicContact OD1-NZ 3.6Å; D28-K30 VanDerWaalsContact C-N 3.28Å; D28-K30 PolarHBondContact O-N 3.29Å; K30-L267 HydrophobicContact CG-CD1 3.89Å; K30-Q689 WeakPolarHBondContact O-CB 3.37Å; K30-L692 HydrophobicContact CD-CD2 4.39Å; K30-L692 HydrophobicContact CG-CD2 4.06Å; K30-E696 WeakPolarHBondContact CE-OE1 3.37Å; K30-E696 IonicContact NZ-OE1 3.98Å; K30-E696 PolarHBondContact NZ-OE1 3.01Å; K30-E696 IonicContact NZ-OE2 2.72Å; K30-E696 PolarHBondContact NZ-OE2 3.27Å
31	Q	73.4	Confident	73.4	Confident	126 Å²	126	70.4 Å²	70.4	59%	0.589	36%	0.362	S	S	*	.	S	Bend	trans	-74.9	143.1	176.5	-66	-178.3	19.5	0	0	111	D27 D28 L29 R263	D27-Q31 PolarHBondContact O-N 3.5Å; D28-Q31 PolarHBondContact O-N 2.86Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; Q31-R263 PolarHBondContact O-NH2 2.96Å
32	E	69.1	Low	75.8	Confident	47 Å²	47	65.8 Å²	65.8	22%	0.22	34%	0.343	C	S	.	.			trans	-58.6	151.5	175.8	-68	-170.7	168.6	0	0	111.2	D34 R664 S687 Q690	E32-D34 PolarHBondContact O-N 3.13Å; E32-D34 VanDerWaalsContact O-N 3.13Å; E32-R664 VanDerWaalsContact OE2-CD 3.27Å; E32-R664 WeakPolarHBondContact OE2-CD 3.21Å; E32-R664 IonicContact OE2-CZ 2.71Å; E32-R664 IonicContact OE2-NE 3.28Å; E32-R664 PolarHBondContact OE2-NE 2.92Å; E32-R664 IonicContact OE2-NH1 2.8Å; E32-R664 PolarHBondContact OE2-NH1 2.95Å; E32-S687 PolarHBondContact OE1-OG 2.88Å; E32-Q690 PolarHBondContact OE1-NE2 2.86Å
33	L	72	Confident	77.7	Confident	34 Å²	34	67.6 Å²	67.6	18%	0.178	35%	0.349	C	S	.	.			trans	-71.1	108.6	178.1	-169.8	121.6	0	0	0	110	M35 P230 V260	L33-M35 HydrophobicContact CD2-CB 3.79Å; L33-M35 HydrophobicContact CD2-CE 4.27Å; L33-M35 HydrophobicContact CD2-CG 3.78Å; L33-M35 HydrophobicContact CD2-SD 3.33Å; L33-M35 WeakPolarHBondContact CD2-SD 3.13Å; L33-P230 HydrophobicContact CD2-CB 4.46Å; L33-P230 HydrophobicContact CD2-CG 4.47Å; L33-V260 HydrophobicContact CD1-CG2 4.25Å; L33-V260 HydrophobicContact CD2-CG2 4.24Å
34	D	73.9	Confident	79.6	Confident	137 Å²	137	66.6 Å²	66.6	73%	0.733	35%	0.346	S	S	*	.			trans	-89.7	120.2	165.7	-163.8	13.5	0	0	0	108.8	E32	E32-D34 PolarHBondContact O-N 3.13Å; E32-D34 VanDerWaalsContact O-N 3.13Å
35	M	82.8	Confident	81.4	Confident	16 Å²	16	61.2 Å²	61.2	8%	0.079	32%	0.317	C	S	.	.			trans	-144.1	151.8	179.8	81.9	-175.4	-50.7	0	0	109.8	L33 E37 H38 P230 L236 I253	L33-M35 HydrophobicContact CD2-CB 3.79Å; L33-M35 HydrophobicContact CD2-CE 4.27Å; L33-M35 HydrophobicContact CD2-CG 3.78Å; L33-M35 HydrophobicContact CD2-SD 3.33Å; L33-M35 WeakPolarHBondContact CD2-SD 3.13Å; M35-E37 WeakPolarHBondContact CB-OE2 3.44Å; M35-E37 HydrophobicContact CE-CB 4.45Å; M35-H38 PolarHBondContact O-CE1 3.05Å; M35-H38 PolarHBondContact O-ND1 2.84Å; M35-P230 HydrophobicContact CG-CB 3.86Å; M35-P230 HydrophobicContact CG-CG 3.51Å; M35-P230 HydrophobicContact SD-CB 3.59Å; M35-P230 VanDerWaalsContact SD-CB 3.59Å; M35-P230 HydrophobicContact SD-CG 3.95Å; M35-L236 HydrophobicContact SD-CD1 3.73Å; M35-I253 HydrophobicContact CE-CD1 3.44Å; M35-I253 VanDerWaalsContact CE-CD1 3.44Å; M35-I253 HydrophobicContact CE-CG1 4.19Å
36	D	88.8	Confident	82.7	Confident	64 Å²	64	61.3 Å²	61.3	34%	0.342	31%	0.307	S	S	.	.			trans	-118.6	-11.4	-175.5	67.1	-23.5	0	0	0	113.2	H38 K39 I40 R48	D36-H38 PolarHBondContact O-N 3.41Å; D36-K39 PolarHBondContact O-N 3.28Å; D36-I40 PolarHBondContact O-N 3.43Å; D36-R48 IonicContact OD1-CZ 3.12Å; D36-R48 VanDerWaalsContact OD1-CZ 3.29Å; D36-R48 IonicContact OD1-NH1 2.99Å; D36-R48 PolarHBondContact OD1-NH1 2.62Å; D36-R48 IonicContact OD1-NH2 3.63Å; D36-R48 PolarHBondContact OD1-NH2 3.26Å; D36-R48 IonicContact OD2-CZ 2.84Å; D36-R48 IonicContact OD2-NH1 2.74Å; D36-R48 PolarHBondContact OD2-NH1 3.09Å; D36-R48 IonicContact OD2-NH2 3.43Å
37	E	88.5	Confident	83.7	Confident	34 Å²	34	62.7 Å²	62.7	16%	0.159	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.7	-175.9	-67	82.9	179.9	0	0	113.7	M35 L45 R48 I253	M35-E37 WeakPolarHBondContact CB-OE2 3.44Å; M35-E37 HydrophobicContact CE-CB 4.45Å; E37-L45 HydrophobicContact CB-CD1 4.02Å; E37-L45 HydrophobicContact CG-CD1 3.99Å; E37-R48 IonicContact OE1-CZ 3.43Å; E37-R48 IonicContact OE1-NH2 3.36Å; E37-R48 PolarHBondContact OE1-NH2 2.58Å; E37-I253 HydrophobicContact CB-CG2 4.29Å; E37-I253 HydrophobicContact CG-CG2 4.49Å
38	H	90.4	Very high	84.5	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-19.4	174.8	66.6	-64.7	0	0	0	114.4	M35 D36 F225 E228 T233 N235 L236	M35-H38 PolarHBondContact O-CE1 3.05Å; M35-H38 PolarHBondContact O-ND1 2.84Å; D36-H38 PolarHBondContact O-N 3.41Å; H38-F225 AromaticContact CD2-CD2 3.79Å; H38-F225 AromaticContact CD2-CE2 3.67Å; H38-E228 PolarHBondContact NE2-O 2.87Å; H38-T233 HydrophobicContact CB-CG2 4.01Å; H38-N235 WeakPolarHBondContact CB-OD1 3.48Å; H38-N235 PolarHBondContact O-ND2 2.86Å; H38-L236 HydrophobicContact CB-CD1 3.91Å; H38-L236 HydrophobicContact CB-CD2 4.1Å; H38-L236 HydrophobicContact CB-CG 3.92Å
39	K	92.4	Very high	85.3	Confident	88 Å²	88	60.8 Å²	60.8	38%	0.383	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-32.5	-177.5	-52.1	-171.5	-168.9	-173.8	0	111.9	D36 F225 E228	D36-K39 PolarHBondContact O-N 3.28Å; K39-F225 HydrophobicContact CG-CD2 4.39Å; K39-F225 HydrophobicContact CG-CE2 3.9Å; K39-E228 WeakPolarHBondContact CE-OE2 3.27Å; K39-E228 IonicContact NZ-OE2 2.74Å; K39-E228 PolarHBondContact NZ-OE2 3.32Å
40	I	91.7	Very high	86	Confident	20 Å²	20	65.2 Å²	65.2	10%	0.103	33%	0.329	C	S	.	.	S	Bend	trans	-74	150.1	-177.4	61.3	176.2	0	0	0	112.7	D36 E44 L45	D36-I40 PolarHBondContact O-N 3.43Å; I40-E44 HydrophobicContact CB-CB 4.45Å; I40-E44 HydrophobicContact CB-CG 4.48Å; I40-E44 HydrophobicContact CD1-CG 4.34Å; I40-L45 HydrophobicContact CD1-CB 3.97Å; I40-L45 HydrophobicContact CD1-CD1 3.95Å; I40-L45 HydrophobicContact CG1-CB 4.29Å
41	P	91.3	Very high	86.8	Confident	82 Å²	82	63.8 Å²	63.8	53%	0.532	32%	0.324	S	S	.	.			trans	-60	151.3	171.4	-21.7	33.5	0	0	0	112.4	E43 E44 L45	P41-E43 VanDerWaalsContact C-N 3.27Å; P41-E43 PolarHBondContact O-N 2.92Å; P41-E44 PolarHBondContact O-N 3.17Å; P41-E44 VanDerWaalsContact O-N 3.12Å; P41-L45 PolarHBondContact O-N 3.14Å; P41-L45 VanDerWaalsContact O-N 3.1Å
42	L	90.8	Very high	87.6	Confident	48 Å²	48	60.9 Å²	60.9	25%	0.251	31%	0.312	S	S	.	.	H	α-helix	trans	-58.9	-36.2	-178.4	-69.7	173.4	0	0	0	112.9	E44 L45 Y46 I200	L42-E44 VanDerWaalsContact C-N 3.33Å; L42-E44 PolarHBondContact O-N 2.93Å; L42-L45 PolarHBondContact O-N 3.29Å; L42-Y46 HydrophobicContact CB-CE2 3.89Å; L42-Y46 WeakPolarHBondContact O-CD2 2.93Å; L42-Y46 PolarHBondContact O-N 2.67Å; L42-I200 HydrophobicContact CD1-CG2 4.45Å
43	E	90.2	Very high	88.4	Confident	164 Å²	164	61.7 Å²	61.7	77%	0.766	32%	0.322	S	S	*	.	H	α-helix	trans	-61	-41	177.6	-64.6	-178.7	-179.4	0	0	112.3	P41 A47	P41-E43 VanDerWaalsContact C-N 3.27Å; P41-E43 PolarHBondContact O-N 2.92Å; E43-A47 PolarHBondContact O-N 3.47Å; E43-A47 VanDerWaalsContact O-N 3.14Å
44	E	92.2	Very high	89.1	Confident	105 Å²	105	67.7 Å²	67.7	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-68.8	-38.8	176.2	-173	176.6	171.1	0	0	111.1	I40 P41 L42 A47 R48	I40-E44 HydrophobicContact CB-CB 4.45Å; I40-E44 HydrophobicContact CB-CG 4.48Å; I40-E44 HydrophobicContact CD1-CG 4.34Å; P41-E44 PolarHBondContact O-N 3.17Å; P41-E44 VanDerWaalsContact O-N 3.12Å; L42-E44 VanDerWaalsContact C-N 3.33Å; L42-E44 PolarHBondContact O-N 2.93Å; E44-A47 PolarHBondContact O-N 3.35Å; E44-R48 WeakPolarHBondContact O-CB 3.45Å; E44-R48 PolarHBondContact O-N 3.07Å
45	L	91.1	Very high	89.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-41.2	176.3	-174.7	65.8	0	0	0	112.3	E37 I40 P41 L42 A47 R48 L49 R198 I251	E37-L45 HydrophobicContact CB-CD1 4.02Å; E37-L45 HydrophobicContact CG-CD1 3.99Å; I40-L45 HydrophobicContact CD1-CB 3.97Å; I40-L45 HydrophobicContact CD1-CD1 3.95Å; I40-L45 HydrophobicContact CG1-CB 4.29Å; P41-L45 PolarHBondContact O-N 3.14Å; P41-L45 VanDerWaalsContact O-N 3.1Å; L42-L45 PolarHBondContact O-N 3.29Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 3.06Å; L45-R48 PolarHBondContact O-N 2.93Å; L45-L49 HydrophobicContact CD1-CD1 3.78Å; L45-L49 HydrophobicContact CD1-CG 4.11Å; L45-L49 HydrophobicContact CG-CD1 4.11Å; L45-L49 WeakPolarHBondContact O-CB 3.17Å; L45-L49 PolarHBondContact O-N 3.01Å; L45-R198 HydrophobicContact CD2-CB 3.92Å; L45-R198 HydrophobicContact CD2-CG 3.52Å; L45-I251 HydrophobicContact CD2-CG2 3.58Å; L45-I251 HydrophobicContact CG-CG2 4.34Å
46	Y	92	Very high	90.1	Very high	35 Å²	35	64.4 Å²	64.4	14%	0.137	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-41.1	174.7	-62.7	-40.1	0	0	0	111.8	L42 N50 T51 P53 I200 I251	L42-Y46 HydrophobicContact CB-CE2 3.89Å; L42-Y46 WeakPolarHBondContact O-CD2 2.93Å; L42-Y46 PolarHBondContact O-N 2.67Å; Y46-N50 WeakPolarHBondContact O-CA 3.42Å; Y46-N50 PolarHBondContact O-N 3.48Å; Y46-T51 PolarHBondContact O-N 3.47Å; Y46-T51 VanDerWaalsContact O-N 3.09Å; Y46-P53 HydrophobicContact CD2-CB 4.29Å; Y46-P53 HydrophobicContact CD2-CG 4.43Å; Y46-P53 HydrophobicContact CE1-CB 4.1Å; Y46-P53 HydrophobicContact CE2-CB 3.8Å; Y46-P53 HydrophobicContact CE2-CG 4.3Å; Y46-I200 HydrophobicContact CE1-CD1 4.02Å; Y46-I200 HydrophobicContact CE1-CG1 4.37Å; Y46-I200 WeakPolarHBondContact OH-CG2 3.5Å; Y46-I251 HydrophobicContact CD1-CD1 4.23Å
47	A	90.9	Very high	90.3	Very high	67 Å²	67	61.5 Å²	61.5	55%	0.554	32%	0.318	S	S	*	.	H	α-helix	trans	-66.1	-43.6	175.1	0	0	0	0	0	112	E43 E44 L45 L49 N50	E43-A47 PolarHBondContact O-N 3.47Å; E43-A47 VanDerWaalsContact O-N 3.14Å; E44-A47 PolarHBondContact O-N 3.35Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 3.06Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 2.92Å; A47-N50 PolarHBondContact O-N 3.35Å; A47-N50 PolarHBondContact O-OD1 2.93Å
48	R	91.5	Very high	90.4	Very high	115 Å²	115	67 Å²	67	43%	0.434	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-38.2	179.5	-179.1	168.9	166.4	168.9	-14	112.5	D36 E37 E44 L45	D36-R48 IonicContact OD1-CZ 3.12Å; D36-R48 VanDerWaalsContact OD1-CZ 3.29Å; D36-R48 IonicContact OD1-NH1 2.99Å; D36-R48 PolarHBondContact OD1-NH1 2.62Å; D36-R48 IonicContact OD1-NH2 3.63Å; D36-R48 PolarHBondContact OD1-NH2 3.26Å; D36-R48 IonicContact OD2-CZ 2.84Å; D36-R48 IonicContact OD2-NH1 2.74Å; D36-R48 PolarHBondContact OD2-NH1 3.09Å; D36-R48 IonicContact OD2-NH2 3.43Å; E37-R48 IonicContact OE1-CZ 3.43Å; E37-R48 IonicContact OE1-NH2 3.36Å; E37-R48 PolarHBondContact OE1-NH2 2.58Å; E44-R48 WeakPolarHBondContact O-CB 3.45Å; E44-R48 PolarHBondContact O-N 3.07Å; L45-R48 PolarHBondContact O-N 2.93Å
49	L	89.7	Confident	90.4	Very high	22 Å²	22	70.3 Å²	70.3	12%	0.115	36%	0.364	C	S	.	.	H	α-helix	trans	-94.1	-3.4	-178.8	-61.6	-177.9	0	0	0	113.8	L45 A47 T51 R65 V181 I251 I253	L45-L49 HydrophobicContact CD1-CD1 3.78Å; L45-L49 HydrophobicContact CD1-CG 4.11Å; L45-L49 HydrophobicContact CG-CD1 4.11Å; L45-L49 WeakPolarHBondContact O-CB 3.17Å; L45-L49 PolarHBondContact O-N 3.01Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 2.92Å; L49-T51 VanDerWaalsContact C-N 3.31Å; L49-T51 PolarHBondContact O-N 3.02Å; L49-R65 PolarHBondContact O-NH1 3.4Å; L49-R65 PolarHBondContact O-NH2 2.81Å; L49-V181 HydrophobicContact CD2-CG1 3.86Å; L49-I251 HydrophobicContact CB-CD1 4.13Å; L49-I251 HydrophobicContact CD1-CD1 3.6Å; L49-I251 HydrophobicContact CD1-CG1 3.85Å; L49-I251 HydrophobicContact CG-CD1 4.47Å; L49-I253 HydrophobicContact CD1-CG2 4.47Å
50	N	90.7	Very high	90.3	Very high	126 Å²	126	71 Å²	71	67%	0.674	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	50.3	-173.5	-71.6	-45.9	0	0	0	112.3	Y46 A47	Y46-N50 WeakPolarHBondContact O-CA 3.42Å; Y46-N50 PolarHBondContact O-N 3.48Å; A47-N50 PolarHBondContact O-N 3.35Å; A47-N50 PolarHBondContact O-OD1 2.93Å
51	T	89.9	Confident	90.2	Very high	9 Å²	9	73.1 Å²	73.1	6%	0.055	38%	0.378	C	S	.	.			trans	-116.9	135.2	-177.9	-70.3	0	0	0	0	110.6	Y46 L49 L57 G182 I184 I251	Y46-T51 PolarHBondContact O-N 3.47Å; Y46-T51 VanDerWaalsContact O-N 3.09Å; L49-T51 VanDerWaalsContact C-N 3.31Å; L49-T51 PolarHBondContact O-N 3.02Å; T51-L57 WeakPolarHBondContact OG1-CD2 3.29Å; T51-G182 WeakPolarHBondContact CB-O 3.43Å; T51-G182 WeakPolarHBondContact CG2-O 3.48Å; T51-G182 WeakPolarHBondContact OG1-CA 3.41Å; T51-G182 PolarHBondContact OG1-O 2.71Å; T51-I184 HydrophobicContact CG2-CD1 3.96Å; T51-I184 HydrophobicContact CG2-CG1 3.88Å; T51-I251 HydrophobicContact CG2-CD1 3.7Å; T51-I251 HydrophobicContact CG2-CG1 4.5Å
52	D	90.5	Very high	90.2	Very high	65 Å²	65	69.7 Å²	69.7	35%	0.348	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-82.3	127.5	172	-175.9	-50.1	0	0	0	110	E54 N55 G56 I184	D52-E54 VanDerWaalsContact C-N 3.29Å; D52-E54 PolarHBondContact O-N 3.3Å; D52-E54 PolarHBondContact OD1-N 3.16Å; D52-N55 HydrophobicContact CB-CB 4.16Å; D52-N55 PolarHBondContact OD1-N 3.49Å; D52-N55 PolarHBondContact OD2-ND2 3.23Å; D52-G56 VanDerWaalsContact O-CA 3.26Å; D52-G56 WeakPolarHBondContact O-CA 3.48Å; D52-G56 PolarHBondContact O-N 3.47Å; D52-I184 WeakPolarHBondContact O-CD1 3.48Å
53	P	85.4	Confident	90.2	Very high	64 Å²	64	73.7 Å²	73.7	42%	0.416	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.7	-176.9	25.9	-34.6	0	0	0	114.7	Y46 I184	Y46-P53 HydrophobicContact CD2-CB 4.29Å; Y46-P53 HydrophobicContact CD2-CG 4.43Å; Y46-P53 HydrophobicContact CE1-CB 4.1Å; Y46-P53 HydrophobicContact CE2-CB 3.8Å; Y46-P53 HydrophobicContact CE2-CG 4.3Å; P53-I184 WeakPolarHBondContact O-CD1 3.27Å
54	E	85.9	Confident	90.3	Very high	159 Å²	159	69.8 Å²	69.8	74%	0.743	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-45	-178.9	-65.9	-168.5	163.9	0	0	111.9	D52	D52-E54 VanDerWaalsContact C-N 3.29Å; D52-E54 PolarHBondContact O-N 3.3Å; D52-E54 PolarHBondContact OD1-N 3.16Å
55	N	87.8	Confident	90.4	Very high	77 Å²	77	65.3 Å²	65.3	41%	0.412	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-16.3	-175.1	-61	-59.3	0	0	0	113.4	D52 R167 D168 G169	D52-N55 HydrophobicContact CB-CB 4.16Å; D52-N55 PolarHBondContact OD1-N 3.49Å; D52-N55 PolarHBondContact OD2-ND2 3.23Å; N55-R167 CarbonylContact O-C 3.57Å; N55-D168 PolarHBondContact O-N 2.85Å; N55-G169 PolarHBondContact O-N 3.13Å
56	G	91.1	Very high	90.4	Very high	7 Å²	7	68 Å²	68	7%	0.072	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	66.2	-158	-171.7	0	0	0	0	0	112.6	D52	D52-G56 VanDerWaalsContact O-CA 3.26Å; D52-G56 WeakPolarHBondContact O-CA 3.48Å; D52-G56 PolarHBondContact O-N 3.47Å
57	L	92.5	Very high	90.4	Very high	4 Å²	4	73.6 Å²	73.6	2%	0.021	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-79.9	150.9	177.4	-69.9	177.6	0	0	0	111.6	T51 E61 V62 R167 D168 V180 G182	T51-L57 WeakPolarHBondContact OG1-CD2 3.29Å; L57-E61 HydrophobicContact CD2-CG 4.25Å; L57-V62 HydrophobicContact CB-CG2 3.8Å; L57-V62 HydrophobicContact CD1-CG2 4.31Å; L57-R167 VanDerWaalsContact O-CA 3.32Å; L57-R167 WeakPolarHBondContact O-CA 3.44Å; L57-D168 PolarHBondContact O-N 3.46Å; L57-D168 VanDerWaalsContact O-N 3.07Å; L57-V180 HydrophobicContact CD1-CG2 3.83Å; L57-G182 VanDerWaalsContact CD1-C 3.48Å
58	K	91.3	Very high	90.4	Very high	150 Å²	150	77.7 Å²	77.7	65%	0.652	37%	0.372	S	S	*	.			trans	-75.9	142.7	169.8	-66.8	-177.4	179.3	176.7	0	110.4	E60 E61 V62 D168	K58-E60 PolarHBondContact O-N 3.11Å; K58-E60 VanDerWaalsContact O-N 3.09Å; K58-E61 WeakPolarHBondContact O-CB 3.44Å; K58-E61 PolarHBondContact O-N 2.81Å; K58-V62 PolarHBondContact O-N 3.34Å; K58-V62 VanDerWaalsContact O-N 3.11Å; K58-D168 VanDerWaalsContact CA-OD1 3.31Å; K58-D168 WeakPolarHBondContact CA-OD1 3.37Å
59	S	89	Confident	90.3	Very high	70 Å²	70	74.4 Å²	74.4	49%	0.49	36%	0.363	S	S	.	.	H	α-helix	trans	-54.3	-33	-179.2	-67.5	0	0	0	0	114.5	R63 D168	S59-R63 PolarHBondContact O-N 2.88Å; S59-D168 VanDerWaalsContact CB-OD2 3.29Å; S59-D168 WeakPolarHBondContact CB-OD2 3.43Å; S59-D168 PolarHBondContact N-OD2 3.33Å; S59-D168 PolarHBondContact OG-OD2 2.92Å
60	E	90.2	Very high	90.4	Very high	101 Å²	101	74.4 Å²	74.4	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-68.3	-42.4	176.8	-176.3	60	-154.8	0	0	112.2	K58 V62 R63 I64	K58-E60 PolarHBondContact O-N 3.11Å; K58-E60 VanDerWaalsContact O-N 3.09Å; E60-V62 VanDerWaalsContact C-N 3.31Å; E60-V62 PolarHBondContact O-N 3.06Å; E60-R63 PolarHBondContact O-N 3.39Å; E60-R63 IonicContact OE1-CZ 2.78Å; E60-R63 IonicContact OE1-NE 3.51Å; E60-R63 IonicContact OE1-NH2 2.67Å; E60-R63 PolarHBondContact OE1-NH2 2.96Å; E60-R63 IonicContact OE2-CZ 3.74Å; E60-R63 IonicContact OE2-NE 3.38Å; E60-R63 IonicContact OE2-NH1 3.07Å; E60-R63 IonicContact OE2-NH2 2.79Å; E60-R63 PolarHBondContact OE2-NH2 3.28Å; E60-I64 HydrophobicContact CG-CD1 4.41Å; E60-I64 WeakPolarHBondContact O-CG1 3.48Å; E60-I64 PolarHBondContact O-N 2.83Å; E60-I64 VanDerWaalsContact O-N 3.16Å
61	E	90.5	Very high	90.5	Very high	66 Å²	66	72.1 Å²	72.1	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-66.1	-37.1	178.3	-178.2	62.5	-164.4	0	0	110.9	L57 K58 R63 I64 R65	L57-E61 HydrophobicContact CD2-CG 4.25Å; K58-E61 WeakPolarHBondContact O-CB 3.44Å; K58-E61 PolarHBondContact O-N 2.81Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.82Å; E61-I64 PolarHBondContact O-N 2.83Å; E61-R65 WeakPolarHBondContact O-CG 3.33Å; E61-R65 PolarHBondContact O-N 2.82Å; E61-R65 IonicContact OE1-CZ 3Å; E61-R65 IonicContact OE1-NE 3.16Å; E61-R65 PolarHBondContact OE1-NE 2.73Å; E61-R65 IonicContact OE1-NH2 3.8Å; E61-R65 PolarHBondContact OE1-NH2 2.8Å; E61-R65 VanDerWaalsContact OE1-NH2 3.12Å
62	V	91.3	Very high	90.5	Very high	10 Å²	10	71.7 Å²	71.7	6%	0.061	36%	0.358	C	S	.	.	H	α-helix	trans	-58.6	-45.5	173.8	172.8	0	0	0	0	111	L57 K58 E60 I64 R65 L66 R167 V180	L57-V62 HydrophobicContact CB-CG2 3.8Å; L57-V62 HydrophobicContact CD1-CG2 4.31Å; K58-V62 PolarHBondContact O-N 3.34Å; K58-V62 VanDerWaalsContact O-N 3.11Å; E60-V62 VanDerWaalsContact C-N 3.31Å; E60-V62 PolarHBondContact O-N 3.06Å; V62-I64 PolarHBondContact O-N 2.86Å; V62-R65 PolarHBondContact O-N 2.86Å; V62-L66 VanDerWaalsContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CB 3.3Å; V62-L66 PolarHBondContact O-N 3.14Å; V62-R167 VanDerWaalsContact CG1-CZ 3.45Å; V62-R167 HydrophobicContact CG2-CG 4.38Å; V62-V180 HydrophobicContact CB-CG2 4.35Å; V62-V180 HydrophobicContact CG1-CG1 4.35Å; V62-V180 HydrophobicContact CG1-CG2 4.11Å; V62-V180 HydrophobicContact CG2-CG2 4.21Å
63	R	91	Very high	90.3	Very high	132 Å²	132	70 Å²	70	50%	0.498	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-45.1	178.1	-174	178.9	67.7	-165.6	-0.5	111.6	S59 E60 E61 R65 L66 E67	S59-R63 PolarHBondContact O-N 2.88Å; E60-R63 PolarHBondContact O-N 3.39Å; E60-R63 IonicContact OE1-CZ 2.78Å; E60-R63 IonicContact OE1-NE 3.51Å; E60-R63 IonicContact OE1-NH2 2.67Å; E60-R63 PolarHBondContact OE1-NH2 2.96Å; E60-R63 IonicContact OE2-CZ 3.74Å; E60-R63 IonicContact OE2-NE 3.38Å; E60-R63 IonicContact OE2-NH1 3.07Å; E60-R63 IonicContact OE2-NH2 2.79Å; E60-R63 PolarHBondContact OE2-NH2 3.28Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.82Å; R63-R65 VanDerWaalsContact C-N 3.35Å; R63-R65 PolarHBondContact O-N 2.9Å; R63-L66 PolarHBondContact O-N 2.85Å; R63-E67 PolarHBondContact O-N 2.87Å
64	I	92.7	Very high	90.3	Very high	81 Å²	81	67.3 Å²	67.3	42%	0.415	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-44.9	178.8	-65.9	167.8	0	0	0	110.6	E60 E61 V62 E67 R68	E60-I64 HydrophobicContact CG-CD1 4.41Å; E60-I64 WeakPolarHBondContact O-CG1 3.48Å; E60-I64 PolarHBondContact O-N 2.83Å; E60-I64 VanDerWaalsContact O-N 3.16Å; E61-I64 PolarHBondContact O-N 2.83Å; V62-I64 PolarHBondContact O-N 2.86Å; I64-E67 PolarHBondContact O-N 2.95Å; I64-R68 WeakPolarHBondContact O-CB 3.36Å; I64-R68 PolarHBondContact O-N 3.25Å
65	R	93.1	Very high	90.1	Very high	11 Å²	11	63.7 Å²	63.7	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-67.2	-38.5	178.3	-69.5	-177.7	-170.8	-163.3	5.8	112.3	L49 E61 V62 R63 R68 D69 V180 V181	L49-R65 PolarHBondContact O-NH1 3.4Å; L49-R65 PolarHBondContact O-NH2 2.81Å; E61-R65 WeakPolarHBondContact O-CG 3.33Å; E61-R65 PolarHBondContact O-N 2.82Å; E61-R65 IonicContact OE1-CZ 3Å; E61-R65 IonicContact OE1-NE 3.16Å; E61-R65 PolarHBondContact OE1-NE 2.73Å; E61-R65 IonicContact OE1-NH2 3.8Å; E61-R65 PolarHBondContact OE1-NH2 2.8Å; E61-R65 VanDerWaalsContact OE1-NH2 3.12Å; V62-R65 PolarHBondContact O-N 2.86Å; R63-R65 VanDerWaalsContact C-N 3.35Å; R63-R65 PolarHBondContact O-N 2.9Å; R65-R68 PolarHBondContact O-N 2.93Å; R65-D69 WeakPolarHBondContact O-CB 3.41Å; R65-D69 PolarHBondContact O-N 2.9Å; R65-V180 HydrophobicContact CB-CB 3.86Å; R65-V180 HydrophobicContact CB-CG1 3.99Å; R65-V180 HydrophobicContact CB-CG2 4.05Å; R65-V181 WeakPolarHBondContact CD-O 3.38Å; R65-V181 PolarHBondContact NH1-O 2.94Å
66	L	92.4	Very high	89.4	Confident	56 Å²	56	63.2 Å²	63.2	29%	0.293	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-40.3	177.9	-171	68.5	0	0	0	111.7	V62 R63 G70 V180	V62-L66 VanDerWaalsContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CB 3.3Å; V62-L66 PolarHBondContact O-N 3.14Å; R63-L66 PolarHBondContact O-N 2.85Å; L66-G70 CarbonylContact O-C 3.53Å; L66-G70 VanDerWaalsContact O-CA 3.25Å; L66-G70 WeakPolarHBondContact O-CA 3.12Å; L66-G70 PolarHBondContact O-N 3.13Å; L66-V180 HydrophobicContact CB-CG1 3.85Å; L66-V180 HydrophobicContact CD1-CG1 4.07Å
67	E	91.3	Very high	88.3	Confident	154 Å²	154	65.4 Å²	65.4	72%	0.72	34%	0.338	S	S	*	.	H	α-helix	trans	-68.9	-35.7	174.1	-73.7	179.8	-173.6	0	0	112.6	R63 I64	R63-E67 PolarHBondContact O-N 2.87Å; I64-E67 PolarHBondContact O-N 2.95Å
68	R	90.7	Very high	87.2	Confident	153 Å²	153	75.2 Å²	75.2	58%	0.577	38%	0.38	S	S	*	.	H	α-helix	trans	-72.6	-48.2	-179.9	-174.3	-167.6	71.3	-161.5	-2.8	112.8	I64 R65	I64-R68 WeakPolarHBondContact O-CB 3.36Å; I64-R68 PolarHBondContact O-N 3.25Å; R65-R68 PolarHBondContact O-N 2.93Å
69	D	90.1	Very high	86.1	Confident	45 Å²	45	73.2 Å²	73.2	24%	0.241	38%	0.381	C	S	.	.	H	α-helix	trans	-98	-18.9	-169.4	-70.5	-5.9	0	0	0	113.2	R65 R258	R65-D69 WeakPolarHBondContact O-CB 3.41Å; R65-D69 PolarHBondContact O-N 2.9Å; D69-R258 IonicContact OD1-NH1 2.73Å; D69-R258 IonicContact OD2-NH1 3.83Å; D69-R258 IonicContact OD2-NH2 2.62Å; D69-R258 PolarHBondContact OD2-NH2 3.07Å
70	G	91.5	Very high	85.4	Confident	23 Å²	23	73.3 Å²	73.3	24%	0.237	38%	0.379	C	S	.	.			trans	85.3	175	-171.3	0	0	0	0	0	113.3	L66	L66-G70 CarbonylContact O-C 3.53Å; L66-G70 VanDerWaalsContact O-CA 3.25Å; L66-G70 WeakPolarHBondContact O-CA 3.12Å; L66-G70 PolarHBondContact O-N 3.13Å
71	P	91.7	Very high	85.1	Confident	78 Å²	78	71.6 Å²	71.6	51%	0.506	38%	0.376	S	S	.	.			trans	-68.6	153.3	179.6	29.9	-34.9	0	0	0	112	A73 E177	P71-A73 PolarHBondContact O-N 3.3Å; P71-E177 CarbonylContact C-O 3.54Å; P71-E177 WeakPolarHBondContact CA-O 3.43Å; P71-E177 HydrophobicContact CB-CB 4.37Å; P71-E177 WeakPolarHBondContact CB-O 3.44Å
72	N	91.7	Very high	84.8	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.378	C	S	.	.	S	Bend	trans	-75.7	71.8	170.5	177.9	42.7	0	0	0	110.6	A176 E177 I179 P194 T255 G256	N72-A176 WeakPolarHBondContact CB-O 3.3Å; N72-A176 PolarHBondContact ND2-O 3.48Å; N72-E177 PolarHBondContact N-O 3.27Å; N72-I179 HydrophobicContact CB-CB 4.28Å; N72-I179 WeakPolarHBondContact CB-O 3.19Å; N72-P194 PolarHBondContact ND2-O 3.35Å; N72-T255 HydrophobicContact CB-CG2 4.26Å; N72-T255 WeakPolarHBondContact OD1-CA 3.34Å; N72-G256 PolarHBondContact OD1-N 3.49Å
73	A	86.2	Confident	84.7	Confident	28 Å²	28	80 Å²	80	23%	0.231	41%	0.407	C	S	.	.	S	Bend	trans	-142.4	156.6	177.5	0	0	0	0	0	110.1	P71 E177 G256	P71-A73 PolarHBondContact O-N 3.3Å; A73-E177 HydrophobicContact CB-CG 4.45Å; A73-G256 WeakPolarHBondContact O-CA 3.45Å
74	L	84.5	Confident	84.5	Confident	9 Å²	9	75.6 Å²	75.6	5%	0.047	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-80.7	129.1	175.4	-60.8	-179.9	0	0	0	110.4	P76 F155 F239 G262 A265	L74-P76 WeakPolarHBondContact O-CD 3.3Å; L74-F155 HydrophobicContact CD1-CB 4Å; L74-F155 HydrophobicContact CD1-CD1 4.33Å; L74-F239 HydrophobicContact CD1-CE1 4.32Å; L74-F239 HydrophobicContact CD2-CE1 4.36Å; L74-F239 HydrophobicContact CG-CE1 4.36Å; L74-G262 VanDerWaalsContact CD2-CA 3.42Å; L74-A265 HydrophobicContact CD1-CB 4.03Å
75	T	81.3	Confident	84.1	Confident	82 Å²	82	72.9 Å²	72.9	50%	0.503	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-75.5	122.2	-179.8	-57.2	0	0	0	0	109.8	D257	T75-D257 WeakPolarHBondContact CB-OD2 3.48Å; T75-D257 PolarHBondContact N-OD1 3.47Å; T75-D257 PolarHBondContact OG1-OD2 2.95Å
76	P	72.6	Confident	83.8	Confident	67 Å²	67	75.2 Å²	75.2	44%	0.435	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-68.4	141.5	177	27.7	-33.5	0	0	0	111.5	L74 M152	L74-P76 WeakPolarHBondContact O-CD 3.3Å; P76-M152 HydrophobicContact CB-CG 3.86Å
77	P	68.2	Low	83.6	Confident	54 Å²	54	74.8 Å²	74.8	35%	0.351	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-64	152.4	177.4	29.5	-38.1	0	0	0	110	T79 M152	P77-T79 PolarHBondContact O-N 2.89Å; P77-M152 HydrophobicContact CG-CE 4.38Å
78	K	69.1	Low	83.3	Confident	209 Å²	209	74.2 Å²	74.2	91%	0.909	39%	0.387	S	S	*	.			trans	-65.8	104.5	172.8	-68.2	179	-177	169.6	0	108.8
79	T	69.5	Low	82.9	Confident	109 Å²	109	67.6 Å²	67.6	67%	0.669	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-72.7	143.1	174.9	53.8	0	0	0	0	110.4	P77 P81	P77-T79 PolarHBondContact O-N 2.89Å; T79-P81 WeakPolarHBondContact O-CD 3.47Å
80	T	74.4	Confident	82.7	Confident	71 Å²	71	66.3 Å²	66.3	44%	0.436	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-72.2	124.2	168.9	44.3	0	0	0	0	108.3	E82 K85	T80-E82 PolarHBondContact O-N 3.13Å; T80-K85 WeakPolarHBondContact OG1-CE 3.37Å
81	P	84	Confident	82.3	Confident	65 Å²	65	70.3 Å²	70.3	42%	0.422	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-57.6	139.4	178.1	-24.5	33.6	0	0	0	111	T79 W83 V84 K85	T79-P81 WeakPolarHBondContact O-CD 3.47Å; P81-W83 HydrophobicContact CB-CG 4.42Å; P81-W83 VanDerWaalsContact CB-NE1 3.33Å; P81-W83 PolarHBondContact O-N 3Å; P81-W83 VanDerWaalsContact O-N 3.15Å; P81-V84 HydrophobicContact CB-CG2 4.15Å; P81-V84 HydrophobicContact CG-CG2 4.26Å; P81-V84 WeakPolarHBondContact O-CA 3.48Å; P81-V84 WeakPolarHBondContact O-CB 3.47Å; P81-V84 PolarHBondContact O-N 3.44Å; P81-K85 PolarHBondContact O-N 3.41Å
82	E	83.4	Confident	81.6	Confident	73 Å²	73	68.2 Å²	68.2	34%	0.341	36%	0.36	S	S	.	.	H	α-helix	trans	-56.3	-35.1	-175.2	-69	-53.9	139.5	0	0	113.6	T80 V84 K85 F86 Y142	T80-E82 PolarHBondContact O-N 3.13Å; E82-V84 VanDerWaalsContact C-N 3.28Å; E82-V84 PolarHBondContact O-N 2.79Å; E82-K85 PolarHBondContact O-N 2.85Å; E82-K85 IonicContact OE1-NZ 3.8Å; E82-K85 PolarHBondContact OE1-NZ 3.29Å; E82-K85 IonicContact OE2-NZ 2.96Å; E82-F86 PolarHBondContact O-N 3.1Å; E82-Y142 PolarHBondContact OE2-OH 3.43Å; E82-Y142 VanDerWaalsContact OE2-OH 3.1Å
83	W	88.7	Confident	80.8	Confident	180 Å²	180	69.7 Å²	69.7	68%	0.682	38%	0.376	S	S	*	.	H	α-helix	trans	-64.7	-30.4	175.2	70.1	-94.1	0	0	0	113	P81 C87	P81-W83 HydrophobicContact CB-CG 4.42Å; P81-W83 VanDerWaalsContact CB-NE1 3.33Å; P81-W83 PolarHBondContact O-N 3Å; P81-W83 VanDerWaalsContact O-N 3.15Å; W83-C87 WeakPolarHBondContact O-CB 3.04Å; W83-C87 PolarHBondContact O-N 3.09Å; W83-C87 PolarHBondContact O-SG 3.3Å
84	V	88.6	Confident	80.3	Confident	39 Å²	39	68.6 Å²	68.6	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-70.8	-41.5	175.5	179.6	0	0	0	0	110	P81 E82 C87 K88	P81-V84 HydrophobicContact CB-CG2 4.15Å; P81-V84 HydrophobicContact CG-CG2 4.26Å; P81-V84 WeakPolarHBondContact O-CA 3.48Å; P81-V84 WeakPolarHBondContact O-CB 3.47Å; P81-V84 PolarHBondContact O-N 3.44Å; E82-V84 VanDerWaalsContact C-N 3.28Å; E82-V84 PolarHBondContact O-N 2.79Å; V84-C87 PolarHBondContact O-N 3.1Å; V84-K88 WeakPolarHBondContact O-CG 3.23Å; V84-K88 PolarHBondContact O-N 3.08Å
85	K	82.6	Confident	80.3	Confident	24 Å²	24	68.4 Å²	68.4	10%	0.104	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-48.6	174.8	-61.7	-178.9	-172.2	164.1	0	110.5	T80 P81 E82 C87 K88 T89 Y142 S149	T80-K85 WeakPolarHBondContact OG1-CE 3.37Å; P81-K85 PolarHBondContact O-N 3.41Å; E82-K85 PolarHBondContact O-N 2.85Å; E82-K85 IonicContact OE1-NZ 3.8Å; E82-K85 PolarHBondContact OE1-NZ 3.29Å; E82-K85 IonicContact OE2-NZ 2.96Å; K85-C87 VanDerWaalsContact C-N 3.34Å; K85-C87 PolarHBondContact O-N 3.22Å; K85-K88 WeakPolarHBondContact O-CB 3.31Å; K85-K88 PolarHBondContact O-N 3.01Å; K85-T89 PolarHBondContact O-N 2.84Å; K85-T89 VanDerWaalsContact O-N 3.1Å; K85-Y142 HydrophobicContact CB-CD2 4.37Å; K85-Y142 HydrophobicContact CB-CE2 4.23Å; K85-S149 PolarHBondContact NZ-OG 3.3Å; K85-S149 VanDerWaalsContact NZ-OG 3.11Å
86	F	87.1	Confident	80.4	Confident	60 Å²	60	68.7 Å²	68.7	26%	0.263	36%	0.362	S	S	.	.	H	α-helix	trans	-58.5	-41.4	175	-176.7	-108.5	0	0	0	113	E82 T89 L90 Y142	E82-F86 PolarHBondContact O-N 3.1Å; F86-T89 PolarHBondContact O-N 3.46Å; F86-T89 PolarHBondContact O-OG1 3.07Å; F86-L90 HydrophobicContact CD1-CD1 3.84Å; F86-L90 HydrophobicContact CE1-CD1 3.42Å; F86-L90 VanDerWaalsContact CE1-CD1 3.42Å; F86-L90 HydrophobicContact CE1-CG 4.22Å; F86-L90 HydrophobicContact CZ-CD1 3.86Å; F86-L90 HydrophobicContact CZ-CD2 4.37Å; F86-L90 HydrophobicContact CZ-CG 4.24Å; F86-L90 WeakPolarHBondContact O-CG 3.46Å; F86-L90 PolarHBondContact O-N 2.73Å; F86-Y142 HydrophobicContact CB-CD2 3.81Å; F86-Y142 HydrophobicContact CB-CE2 4.06Å; F86-Y142 HydrophobicContact CB-CG 4.23Å; F86-Y142 HydrophobicContact CD2-CD1 4.03Å; F86-Y142 HydrophobicContact CD2-CD2 4.14Å; F86-Y142 AromaticContact CD2-CG 3.68Å; F86-Y142 HydrophobicContact CD2-CG 3.68Å; F86-Y142 HydrophobicContact CG-CG 4.45Å
87	C	89.2	Confident	81	Confident	47 Å²	47	66.1 Å²	66.1	32%	0.318	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-37	174.5	-72.7	0	0	0	0	112.5	W83 V84 K85 T89 L90 F91	W83-C87 WeakPolarHBondContact O-CB 3.04Å; W83-C87 PolarHBondContact O-N 3.09Å; W83-C87 PolarHBondContact O-SG 3.3Å; V84-C87 PolarHBondContact O-N 3.1Å; K85-C87 VanDerWaalsContact C-N 3.34Å; K85-C87 PolarHBondContact O-N 3.22Å; C87-T89 VanDerWaalsContact C-N 3.34Å; C87-T89 PolarHBondContact O-N 2.93Å; C87-L90 PolarHBondContact O-N 2.75Å; C87-F91 WeakPolarHBondContact O-CD2 3.39Å; C87-F91 PolarHBondContact O-N 2.93Å
88	K	85.1	Confident	81.9	Confident	143 Å²	143	63.9 Å²	63.9	62%	0.622	33%	0.329	S	S	*	.	H	α-helix	trans	-61.9	-41.7	176.4	-77.8	-176.3	175.5	-170.3	0	111.7	V84 K85 L90 F91 G92	V84-K88 WeakPolarHBondContact O-CG 3.23Å; V84-K88 PolarHBondContact O-N 3.08Å; K85-K88 WeakPolarHBondContact O-CB 3.31Å; K85-K88 PolarHBondContact O-N 3.01Å; K88-L90 VanDerWaalsContact C-N 3.35Å; K88-L90 PolarHBondContact O-N 3.42Å; K88-F91 PolarHBondContact O-N 3.29Å; K88-G92 PolarHBondContact O-N 3.03Å; K88-G92 VanDerWaalsContact O-N 3.11Å
89	T	81.8	Confident	82.8	Confident	14 Å²	14	56.6 Å²	56.6	9%	0.086	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-36.5	177.9	61.6	0	0	0	0	112.2	K85 F86 C87 F91 G92 G138	K85-T89 PolarHBondContact O-N 2.84Å; K85-T89 VanDerWaalsContact O-N 3.1Å; F86-T89 PolarHBondContact O-N 3.46Å; F86-T89 PolarHBondContact O-OG1 3.07Å; C87-T89 VanDerWaalsContact C-N 3.34Å; C87-T89 PolarHBondContact O-N 2.93Å; T89-F91 VanDerWaalsContact C-N 3.29Å; T89-F91 PolarHBondContact O-N 3.38Å; T89-G92 PolarHBondContact O-N 3.21Å; T89-G138 PolarHBondContact OG1-O 3.34Å
90	L	86.4	Confident	83.6	Confident	17 Å²	17	55.2 Å²	55.2	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-25.1	176.8	-74.3	173.5	0	0	0	114.7	F86 C87 K88 S95 W99 V134	F86-L90 HydrophobicContact CD1-CD1 3.84Å; F86-L90 HydrophobicContact CE1-CD1 3.42Å; F86-L90 VanDerWaalsContact CE1-CD1 3.42Å; F86-L90 HydrophobicContact CE1-CG 4.22Å; F86-L90 HydrophobicContact CZ-CD1 3.86Å; F86-L90 HydrophobicContact CZ-CD2 4.37Å; F86-L90 HydrophobicContact CZ-CG 4.24Å; F86-L90 WeakPolarHBondContact O-CG 3.46Å; F86-L90 PolarHBondContact O-N 2.73Å; C87-L90 PolarHBondContact O-N 2.75Å; K88-L90 VanDerWaalsContact C-N 3.35Å; K88-L90 PolarHBondContact O-N 3.42Å; L90-S95 WeakPolarHBondContact O-CB 3.24Å; L90-W99 PolarHBondContact O-NE1 3.11Å; L90-V134 HydrophobicContact CD2-CG1 4.34Å; L90-V134 WeakPolarHBondContact CD2-O 3.24Å
91	F	82.9	Confident	84.1	Confident	108 Å²	108	52 Å²	52	47%	0.474	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	13.9	-179.9	-63	-68.1	0	0	0	112.6	C87 K88 T89 M96 W99	C87-F91 WeakPolarHBondContact O-CD2 3.39Å; C87-F91 PolarHBondContact O-N 2.93Å; K88-F91 PolarHBondContact O-N 3.29Å; T89-F91 VanDerWaalsContact C-N 3.29Å; T89-F91 PolarHBondContact O-N 3.38Å; F91-M96 HydrophobicContact CB-SD 4.08Å; F91-M96 HydrophobicContact CD1-SD 3.94Å; F91-M96 HydrophobicContact CG-SD 4.49Å; F91-M96 WeakPolarHBondContact O-CG 3.38Å; F91-W99 AromaticContact CD1-CD1 3.71Å; F91-W99 AromaticContact CD1-NE1 3.56Å; F91-W99 AromaticContact CE1-CD1 3.85Å; F91-W99 HydrophobicContact CE1-CD2 4.27Å; F91-W99 AromaticContact CE1-CE2 3.76Å; F91-W99 HydrophobicContact CE1-CG 4.34Å; F91-W99 HydrophobicContact CE1-CZ2 4.26Å; F91-W99 AromaticContact CE1-NE1 3.46Å; F91-W99 HydrophobicContact CZ-CZ2 4.46Å
92	G	75.7	Confident	84.4	Confident	34 Å²	34	48.9 Å²	48.9	35%	0.351	24%	0.244	S	C	.	.	S	Bend	trans	-87.1	142.8	175.7	0	0	0	0	0	112.5	K88 T89 F94 S95	K88-G92 PolarHBondContact O-N 3.03Å; K88-G92 VanDerWaalsContact O-N 3.11Å; T89-G92 PolarHBondContact O-N 3.21Å; G92-F94 PolarHBondContact O-N 3.11Å; G92-S95 VanDerWaalsContact O-CB 3.26Å; G92-S95 WeakPolarHBondContact O-CB 3.33Å; G92-S95 PolarHBondContact O-N 3.4Å; G92-S95 PolarHBondContact O-OG 3.19Å
93	G	75	Confident	84.7	Confident	31 Å²	31	49.8 Å²	49.8	32%	0.32	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	-129.7	166.7	0	0	0	0	0	116.1	S95 M96	G93-S95 PolarHBondContact O-N 3.09Å; G93-M96 PolarHBondContact O-N 3.41Å
94	F	76.5	Confident	84.6	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-28.4	-179.3	-68.7	-52.7	0	0	0	113.7	G92 M96 L97 L98 F285 I286 I289 V326 P327 L331	G92-F94 PolarHBondContact O-N 3.11Å; F94-M96 PolarHBondContact O-N 2.9Å; F94-M96 VanDerWaalsContact O-N 3.15Å; F94-L97 HydrophobicContact CD1-CD1 4.4Å; F94-L97 WeakPolarHBondContact O-CB 3.5Å; F94-L97 PolarHBondContact O-N 3.28Å; F94-L98 PolarHBondContact O-N 3.4Å; F94-F285 HydrophobicContact CE2-CD1 4.37Å; F94-F285 AromaticContact CE2-CE1 3.71Å; F94-F285 HydrophobicContact CE2-CE1 3.71Å; F94-F285 HydrophobicContact CE2-CZ 4.29Å; F94-F285 HydrophobicContact CZ-CD1 4.47Å; F94-F285 AromaticContact CZ-CE1 3.86Å; F94-F285 HydrophobicContact CZ-CE1 3.86Å; F94-F285 HydrophobicContact CZ-CZ 4.08Å; F94-I286 HydrophobicContact CD1-CG2 4.33Å; F94-I286 HydrophobicContact CD2-CG1 3.92Å; F94-I286 HydrophobicContact CE1-CG2 4.33Å; F94-I286 HydrophobicContact CE2-CB 4.42Å; F94-I286 HydrophobicContact CE2-CG1 3.62Å; F94-I286 HydrophobicContact CG-CG2 4.48Å; F94-I286 HydrophobicContact CZ-CB 4.31Å; F94-I286 HydrophobicContact CZ-CG1 3.98Å; F94-I289 HydrophobicContact CE1-CB 3.76Å; F94-I289 HydrophobicContact CE1-CG2 3.64Å; F94-I289 HydrophobicContact CZ-CB 3.83Å; F94-I289 HydrophobicContact CZ-CG1 4.28Å; F94-I289 HydrophobicContact CZ-CG2 3.94Å; F94-V326 HydrophobicContact CB-CG1 3.87Å; F94-V326 HydrophobicContact CD1-CG1 3.91Å; F94-V326 HydrophobicContact CD1-CG2 4.34Å; F94-V326 HydrophobicContact CG-CG1 3.95Å; F94-P327 HydrophobicContact CE2-CG 4.38Å; F94-P327 HydrophobicContact CZ-CG 4.37Å; F94-L331 HydrophobicContact CD2-CD1 4.17Å; F94-L331 HydrophobicContact CD2-CG 4.36Å
95	S	83.6	Confident	84.5	Confident	5 Å²	5	41.2 Å²	41.2	4%	0.035	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-32.9	179.3	-56.8	0	0	0	0	111.8	L90 G92 G93 L98 W99	L90-S95 WeakPolarHBondContact O-CB 3.24Å; G92-S95 VanDerWaalsContact O-CB 3.26Å; G92-S95 WeakPolarHBondContact O-CB 3.33Å; G92-S95 PolarHBondContact O-N 3.4Å; G92-S95 PolarHBondContact O-OG 3.19Å; G93-S95 PolarHBondContact O-N 3.09Å; S95-L98 PolarHBondContact O-N 3.01Å; S95-W99 WeakPolarHBondContact O-CB 3.24Å; S95-W99 PolarHBondContact O-N 3.17Å
96	M	85	Confident	84.8	Confident	88 Å²	88	43.7 Å²	43.7	43%	0.433	23%	0.228	S	C	.	.	H	α-helix	trans	-65.2	-40.8	175.3	-77.3	-65.7	-65.1	0	0	112.9	F91 G93 F94 W99 I100	F91-M96 HydrophobicContact CB-SD 4.08Å; F91-M96 HydrophobicContact CD1-SD 3.94Å; F91-M96 HydrophobicContact CG-SD 4.49Å; F91-M96 WeakPolarHBondContact O-CG 3.38Å; G93-M96 PolarHBondContact O-N 3.41Å; F94-M96 PolarHBondContact O-N 2.9Å; F94-M96 VanDerWaalsContact O-N 3.15Å; M96-W99 PolarHBondContact O-N 3.24Å; M96-I100 VanDerWaalsContact O-CG1 3.27Å; M96-I100 WeakPolarHBondContact O-CG1 3.41Å; M96-I100 PolarHBondContact O-N 2.97Å
97	L	84.1	Confident	84.9	Confident	13 Å²	13	45 Å²	45	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-42.2	175.2	-70.1	174.7	0	0	0	111	F94 I100 G101 T290 M294 I322 V326	F94-L97 HydrophobicContact CD1-CD1 4.4Å; F94-L97 WeakPolarHBondContact O-CB 3.5Å; F94-L97 PolarHBondContact O-N 3.28Å; L97-I100 PolarHBondContact O-N 3.02Å; L97-G101 PolarHBondContact O-N 3.29Å; L97-T290 HydrophobicContact CD1-CG2 3.85Å; L97-T290 HydrophobicContact CD2-CG2 4.23Å; L97-T290 HydrophobicContact CG-CG2 4.27Å; L97-M294 HydrophobicContact CD2-SD 4.16Å; L97-I322 HydrophobicContact CB-CG2 4.35Å; L97-V326 HydrophobicContact CB-CG2 4.22Å; L97-V326 HydrophobicContact CD1-CG2 3.79Å
98	L	86.4	Confident	84.6	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-36.8	177.4	-63.5	177.6	0	0	0	112	F94 S95 G101 A102 L130 V133 V134 V326 E328	F94-L98 PolarHBondContact O-N 3.4Å; S95-L98 PolarHBondContact O-N 3.01Å; L98-G101 PolarHBondContact O-N 3.38Å; L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 2.91Å; L98-L130 HydrophobicContact CD2-CD2 4.13Å; L98-V133 HydrophobicContact CD1-CG1 4.12Å; L98-V134 HydrophobicContact CB-CG2 3.35Å; L98-V134 HydrophobicContact CD1-CG2 3.89Å; L98-V134 HydrophobicContact CG-CG2 4.28Å; L98-V326 HydrophobicContact CD1-CG1 4.38Å; L98-V326 HydrophobicContact CD2-CB 4.3Å; L98-V326 HydrophobicContact CD2-CG1 3.91Å; L98-V326 HydrophobicContact CG-CG1 4.12Å; L98-E328 HydrophobicContact CD1-CG 4.2Å; L98-E328 HydrophobicContact CD2-CG 4Å
99	W	89.5	Confident	84.6	Confident	56 Å²	56	38 Å²	38	21%	0.212	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-46.6	170.7	-85.8	119.4	0	0	0	111.6	L90 F91 S95 M96 G101 A102 I103 L131 V134	L90-W99 PolarHBondContact O-NE1 3.11Å; F91-W99 AromaticContact CD1-CD1 3.71Å; F91-W99 AromaticContact CD1-NE1 3.56Å; F91-W99 AromaticContact CE1-CD1 3.85Å; F91-W99 HydrophobicContact CE1-CD2 4.27Å; F91-W99 AromaticContact CE1-CE2 3.76Å; F91-W99 HydrophobicContact CE1-CG 4.34Å; F91-W99 HydrophobicContact CE1-CZ2 4.26Å; F91-W99 AromaticContact CE1-NE1 3.46Å; F91-W99 HydrophobicContact CZ-CZ2 4.46Å; S95-W99 WeakPolarHBondContact O-CB 3.24Å; S95-W99 PolarHBondContact O-N 3.17Å; M96-W99 PolarHBondContact O-N 3.24Å; W99-G101 VanDerWaalsContact C-N 3.33Å; W99-A102 PolarHBondContact O-N 3.39Å; W99-I103 WeakPolarHBondContact O-CB 3.43Å; W99-I103 VanDerWaalsContact O-CG1 3.23Å; W99-I103 WeakPolarHBondContact O-CG1 3.25Å; W99-I103 PolarHBondContact O-N 3.29Å; W99-L131 HydrophobicContact CE3-CD1 4.18Å; W99-L131 HydrophobicContact CH2-CD1 3.19Å; W99-L131 HydrophobicContact CZ2-CD1 4.15Å; W99-L131 HydrophobicContact CZ3-CD1 3.22Å; W99-V134 HydrophobicContact CD2-CG1 4.41Å; W99-V134 HydrophobicContact CZ2-CG1 4.01Å; W99-V134 VanDerWaalsContact NE1-CG1 3.35Å
100	I	86.1	Confident	84.9	Confident	81 Å²	81	39.4 Å²	39.4	42%	0.415	22%	0.217	S	C	.	.	H	α-helix	trans	-61.3	-45.6	176.4	-68.5	164.9	0	0	0	109.7	M96 L97 I103 L104	M96-I100 VanDerWaalsContact O-CG1 3.27Å; M96-I100 WeakPolarHBondContact O-CG1 3.41Å; M96-I100 PolarHBondContact O-N 2.97Å; L97-I100 PolarHBondContact O-N 3.02Å; I100-I103 PolarHBondContact O-N 3.1Å; I100-L104 HydrophobicContact CG2-CD1 3.77Å; I100-L104 HydrophobicContact CG2-CG 4.28Å; I100-L104 WeakPolarHBondContact O-CB 3.23Å; I100-L104 VanDerWaalsContact O-CG 3.23Å; I100-L104 WeakPolarHBondContact O-CG 3.41Å; I100-L104 PolarHBondContact O-N 2.86Å
101	G	85.1	Confident	84.8	Confident	2 Å²	2	40.6 Å²	40.6	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-49.1	175	0	0	0	0	0	112.5	L97 L98 W99 L104 C105	L97-G101 PolarHBondContact O-N 3.29Å; L98-G101 PolarHBondContact O-N 3.38Å; W99-G101 VanDerWaalsContact C-N 3.33Å; G101-L104 PolarHBondContact O-N 3.02Å; G101-C105 WeakPolarHBondContact O-CB 3.21Å; G101-C105 PolarHBondContact O-N 3.31Å; G101-C105 PolarHBondContact O-SG 2.81Å
102	A	89.2	Confident	84.6	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-45.6	178.6	0	0	0	0	0	112.2	L98 W99 L104 C105 F106 L130	L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 2.91Å; W99-A102 PolarHBondContact O-N 3.39Å; A102-L104 PolarHBondContact O-N 3.37Å; A102-C105 WeakPolarHBondContact O-CB 3.32Å; A102-C105 PolarHBondContact O-N 3.06Å; A102-F106 HydrophobicContact CB-CE2 4.4Å; A102-F106 WeakPolarHBondContact O-CD2 3.45Å; A102-F106 WeakPolarHBondContact O-CG 3.25Å; A102-F106 PolarHBondContact O-N 3.07Å; A102-L130 HydrophobicContact CB-CB 3.95Å
103	I	90.2	Very high	85	Confident	91 Å²	91	41.3 Å²	41.3	47%	0.467	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-45.1	176.7	-69.5	166.6	0	0	0	110.5	W99 I100 C105 F106 I107	W99-I103 WeakPolarHBondContact O-CB 3.43Å; W99-I103 VanDerWaalsContact O-CG1 3.23Å; W99-I103 WeakPolarHBondContact O-CG1 3.25Å; W99-I103 PolarHBondContact O-N 3.29Å; I100-I103 PolarHBondContact O-N 3.1Å; I103-C105 VanDerWaalsContact C-N 3.33Å; I103-C105 PolarHBondContact O-N 3.2Å; I103-F106 PolarHBondContact O-N 3.15Å; I103-I107 HydrophobicContact CG2-CD1 3.83Å; I103-I107 HydrophobicContact CG2-CG1 4.47Å; I103-I107 WeakPolarHBondContact O-CG1 3.46Å; I103-I107 PolarHBondContact O-N 3.1Å
104	L	86.6	Confident	85.3	Confident	40 Å²	40	45 Å²	45	21%	0.209	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-36.9	177.3	-72.5	173.7	0	0	0	112	I100 G101 A102 I107 A108 V315 I319	I100-L104 HydrophobicContact CG2-CD1 3.77Å; I100-L104 HydrophobicContact CG2-CG 4.28Å; I100-L104 WeakPolarHBondContact O-CB 3.23Å; I100-L104 VanDerWaalsContact O-CG 3.23Å; I100-L104 WeakPolarHBondContact O-CG 3.41Å; I100-L104 PolarHBondContact O-N 2.86Å; G101-L104 PolarHBondContact O-N 3.02Å; A102-L104 PolarHBondContact O-N 3.37Å; L104-I107 PolarHBondContact O-N 2.83Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 2.91Å; L104-V315 HydrophobicContact CD2-CG1 4.36Å; L104-I319 HydrophobicContact CB-CD1 3.54Å; L104-I319 HydrophobicContact CB-CG1 3.76Å; L104-I319 HydrophobicContact CD1-CG1 4.02Å
105	C	86.4	Confident	85.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-45	171.9	-75.2	0	0	0	0	111.9	G101 A102 I103 I107 A108 Y109 N123	G101-C105 WeakPolarHBondContact O-CB 3.21Å; G101-C105 PolarHBondContact O-N 3.31Å; G101-C105 PolarHBondContact O-SG 2.81Å; A102-C105 WeakPolarHBondContact O-CB 3.32Å; A102-C105 PolarHBondContact O-N 3.06Å; I103-C105 VanDerWaalsContact C-N 3.33Å; I103-C105 PolarHBondContact O-N 3.2Å; C105-I107 PolarHBondContact O-N 3.27Å; C105-A108 PolarHBondContact O-N 3.23Å; C105-Y109 WeakPolarHBondContact O-CB 3.34Å; C105-Y109 PolarHBondContact O-N 2.69Å; C105-N123 WeakPolarHBondContact CB-O 3.46Å
106	F	89.8	Confident	84.7	Confident	76 Å²	76	52.4 Å²	52.4	33%	0.333	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-37.5	176.3	-64.9	-51.7	0	0	0	112.6	A102 I103 G110 L124 I128	A102-F106 HydrophobicContact CB-CE2 4.4Å; A102-F106 WeakPolarHBondContact O-CD2 3.45Å; A102-F106 WeakPolarHBondContact O-CG 3.25Å; A102-F106 PolarHBondContact O-N 3.07Å; I103-F106 PolarHBondContact O-N 3.15Å; F106-G110 PolarHBondContact O-N 2.9Å; F106-L124 HydrophobicContact CD1-CD1 4.25Å; F106-L124 HydrophobicContact CE1-CD1 4.13Å; F106-I128 HydrophobicContact CE1-CG1 4.17Å; F106-I128 HydrophobicContact CZ-CG1 4.34Å
107	I	87.6	Confident	83.5	Confident	87 Å²	87	56.5 Å²	56.5	45%	0.446	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-47.7	174.2	-69.2	167.7	0	0	0	110.4	I103 L104 C105 Y109 G110 I111	I103-I107 HydrophobicContact CG2-CD1 3.83Å; I103-I107 HydrophobicContact CG2-CG1 4.47Å; I103-I107 WeakPolarHBondContact O-CG1 3.46Å; I103-I107 PolarHBondContact O-N 3.1Å; L104-I107 PolarHBondContact O-N 2.83Å; C105-I107 PolarHBondContact O-N 3.27Å; I107-Y109 VanDerWaalsContact C-N 3.33Å; I107-Y109 PolarHBondContact O-N 2.98Å; I107-G110 PolarHBondContact O-N 2.84Å; I107-G110 VanDerWaalsContact O-N 3.15Å; I107-I111 HydrophobicContact CG2-CD1 3.63Å; I107-I111 HydrophobicContact CG2-CG1 4.44Å; I107-I111 WeakPolarHBondContact O-CD1 3.41Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 2.91Å
108	A	83.8	Confident	82.3	Confident	2 Å²	2	61.6 Å²	61.6	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-43.2	178.4	0	0	0	0	0	111.5	L104 C105 I111 Q112 I316	L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 2.91Å; C105-A108 PolarHBondContact O-N 3.23Å; A108-I111 PolarHBondContact O-N 3.02Å; A108-Q112 WeakPolarHBondContact O-CB 3.5Å; A108-Q112 VanDerWaalsContact O-CG 3.3Å; A108-Q112 WeakPolarHBondContact O-CG 3.22Å; A108-Q112 PolarHBondContact O-N 3.13Å; A108-I316 HydrophobicContact CB-CG1 4.41Å
109	Y	85.7	Confident	81.1	Confident	42 Å²	42	65.4 Å²	65.4	17%	0.165	34%	0.344	C	S	.	.	H	α-helix	trans	-60.7	-44.7	173.2	178.1	-109.4	0	0	0	112.2	C105 I107 I111 Q112 R113 V120 L124	C105-Y109 WeakPolarHBondContact O-CB 3.34Å; C105-Y109 PolarHBondContact O-N 2.69Å; I107-Y109 VanDerWaalsContact C-N 3.33Å; I107-Y109 PolarHBondContact O-N 2.98Å; Y109-I111 VanDerWaalsContact C-N 3.33Å; Y109-I111 PolarHBondContact O-N 2.9Å; Y109-Q112 PolarHBondContact O-N 3.11Å; Y109-R113 VanDerWaalsContact O-CB 3.31Å; Y109-R113 WeakPolarHBondContact O-CB 3.3Å; Y109-R113 PolarHBondContact O-N 3.46Å; Y109-V120 WeakPolarHBondContact CD2-O 3.37Å; Y109-V120 WeakPolarHBondContact CE2-O 3.43Å; Y109-L124 HydrophobicContact CD1-CB 4.09Å; Y109-L124 HydrophobicContact CD1-CD1 4.16Å; Y109-L124 HydrophobicContact CD2-CB 3.84Å; Y109-L124 HydrophobicContact CE1-CB 4.19Å; Y109-L124 HydrophobicContact CE1-CD1 4.17Å; Y109-L124 HydrophobicContact CE1-CD2 4.15Å; Y109-L124 HydrophobicContact CE1-CG 4.41Å; Y109-L124 HydrophobicContact CE2-CB 3.96Å; Y109-L124 HydrophobicContact CG-CB 3.91Å
110	G	86.8	Confident	80.1	Confident	42 Å²	42	64.3 Å²	64.3	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-40.6	177.5	0	0	0	0	0	113	F106 I107 S114	F106-G110 PolarHBondContact O-N 2.9Å; I107-G110 PolarHBondContact O-N 2.84Å; I107-G110 VanDerWaalsContact O-N 3.15Å; G110-S114 PolarHBondContact O-N 2.85Å
111	I	84.3	Confident	79.8	Confident	42 Å²	42	64.6 Å²	64.6	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-70.8	-44.1	177.8	-64.5	157.6	0	0	0	111.2	I107 A108 Y109 S114 S115 W311 L312	I107-I111 HydrophobicContact CG2-CD1 3.63Å; I107-I111 HydrophobicContact CG2-CG1 4.44Å; I107-I111 WeakPolarHBondContact O-CD1 3.41Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 2.91Å; A108-I111 PolarHBondContact O-N 3.02Å; Y109-I111 VanDerWaalsContact C-N 3.33Å; Y109-I111 PolarHBondContact O-N 2.9Å; I111-S114 PolarHBondContact O-N 2.99Å; I111-S114 VanDerWaalsContact O-N 3.16Å; I111-S115 WeakPolarHBondContact O-CB 3.37Å; I111-S115 PolarHBondContact O-N 2.81Å; I111-S115 PolarHBondContact O-OG 2.95Å; I111-W311 HydrophobicContact CD1-CH2 3.52Å; I111-W311 HydrophobicContact CD1-CZ2 4.41Å; I111-W311 HydrophobicContact CD1-CZ3 4.14Å; I111-L312 HydrophobicContact CB-CD1 4.09Å; I111-L312 HydrophobicContact CD1-CD1 3.8Å; I111-L312 HydrophobicContact CG2-CD1 3.9Å; I111-L312 HydrophobicContact CG2-CD2 3.97Å
112	Q	79.9	Confident	79.5	Confident	28 Å²	28	67.2 Å²	67.2	13%	0.131	36%	0.355	C	S	.	.	H	α-helix	trans	-60	-47.3	177.1	-78.1	175	-27.1	0	0	111	A108 Y109 S114 S115 E116 N123 L312	A108-Q112 WeakPolarHBondContact O-CB 3.5Å; A108-Q112 VanDerWaalsContact O-CG 3.3Å; A108-Q112 WeakPolarHBondContact O-CG 3.22Å; A108-Q112 PolarHBondContact O-N 3.13Å; Y109-Q112 PolarHBondContact O-N 3.11Å; Q112-S114 PolarHBondContact O-N 3.49Å; Q112-S115 PolarHBondContact O-N 2.87Å; Q112-E116 PolarHBondContact O-N 2.95Å; Q112-N123 VanDerWaalsContact CD-ND2 3.3Å; Q112-N123 PolarHBondContact NE2-ND2 3.42Å; Q112-N123 PolarHBondContact OE1-ND2 3.22Å; Q112-L312 HydrophobicContact CG-CD2 4.22Å
113	R	82.5	Confident	79.1	Confident	130 Å²	130	68 Å²	68	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-60.6	-28.4	176.6	-178	142.5	-167.3	76.1	-15.3	113.4	Y109 D119	Y109-R113 VanDerWaalsContact O-CB 3.31Å; Y109-R113 WeakPolarHBondContact O-CB 3.3Å; Y109-R113 PolarHBondContact O-N 3.46Å; R113-D119 IonicContact CZ-OD1 3.23Å; R113-D119 IonicContact NH1-OD1 3.01Å; R113-D119 PolarHBondContact NH1-OD1 3.27Å; R113-D119 IonicContact NH2-OD1 2.58Å; R113-D119 PolarHBondContact NH2-OD1 3.31Å
114	S	82.7	Confident	79	Confident	107 Å²	107	65.9 Å²	65.9	75%	0.748	35%	0.348	S	S	*	.	H	α-helix	trans	-84.4	-20.4	176.4	-173.6	0	0	0	0	113.7	G110 I111 Q112	G110-S114 PolarHBondContact O-N 2.85Å; I111-S114 PolarHBondContact O-N 2.99Å; I111-S114 VanDerWaalsContact O-N 3.16Å; Q112-S114 PolarHBondContact O-N 3.49Å
115	S	78	Confident	79	Confident	76 Å²	76	70.6 Å²	70.6	53%	0.531	36%	0.364	S	S	.	.	H	α-helix	trans	-108.9	-25.1	-170.5	-53	0	0	0	0	113.4	I111 Q112	I111-S115 WeakPolarHBondContact O-CB 3.37Å; I111-S115 PolarHBondContact O-N 2.81Å; I111-S115 PolarHBondContact O-OG 2.95Å; Q112-S115 PolarHBondContact O-N 2.87Å
116	E	69.3	Low	79	Confident	89 Å²	89	71.5 Å²	71.5	42%	0.416	37%	0.369	S	S	.	.			trans	-126	134.5	-174.5	-63	178.2	-174.6	0	0	109.4	Q112 E118	Q112-E116 PolarHBondContact O-N 2.95Å; E116-E118 PolarHBondContact O-N 2.84Å
117	D	58.8	Low	78.9	Confident	175 Å²	175	67.9 Å²	67.9	94%	0.936	35%	0.353	S	S	*	.	S	Bend	trans	-70.4	-7.7	-176.9	-85.1	-33.7	0	0	0	114
118	E	59.7	Low	79.1	Confident	120 Å²	120	67.8 Å²	67.8	56%	0.561	35%	0.353	S	S	*	.	S	Bend	trans	-105.8	135.5	-175.6	-81.1	-165.7	-142.2	0	0	114.1	E116 V120 R886	E116-E118 PolarHBondContact O-N 2.84Å; E118-V120 VanDerWaalsContact C-N 3.27Å; E118-V120 PolarHBondContact O-N 3.24Å; E118-R886 IonicContact OE1-NH1 2.66Å; E118-R886 PolarHBondContact OE1-NH1 3.05Å; E118-R886 IonicContact OE2-CZ 3.66Å; E118-R886 IonicContact OE2-NH1 2.72Å; E118-R886 PolarHBondContact OE2-NH1 3.01Å
119	D	61.6	Low	79.4	Confident	87 Å²	87	70.6 Å²	70.6	47%	0.465	37%	0.369	S	S	.	.			trans	-69.9	69.5	178.6	-76.9	6.8	0	0	0	112.6	R113 K121	R113-D119 IonicContact CZ-OD1 3.23Å; R113-D119 IonicContact NH1-OD1 3.01Å; R113-D119 PolarHBondContact NH1-OD1 3.27Å; R113-D119 IonicContact NH2-OD1 2.58Å; R113-D119 PolarHBondContact NH2-OD1 3.31Å; D119-K121 PolarHBondContact O-N 3.13Å
120	V	68.5	Low	79.5	Confident	33 Å²	33	68.6 Å²	68.6	20%	0.2	36%	0.362	C	S	.	.			trans	-75.8	105	167.8	-175.2	0	0	0	0	108.9	Y109 E118 D122	Y109-V120 WeakPolarHBondContact CD2-O 3.37Å; Y109-V120 WeakPolarHBondContact CE2-O 3.43Å; E118-V120 VanDerWaalsContact C-N 3.27Å; E118-V120 PolarHBondContact O-N 3.24Å; V120-D122 HydrophobicContact CG1-CB 4.18Å
121	K	79.8	Confident	79.7	Confident	87 Å²	87	69.4 Å²	69.4	38%	0.378	36%	0.356	S	S	.	.			trans	-90.5	2.4	-174.9	-64.4	179.3	-176	177.2	0	114.1	D119 N123 L124 Y125	D119-K121 PolarHBondContact O-N 3.13Å; K121-N123 PolarHBondContact O-N 2.94Å; K121-L124 WeakPolarHBondContact O-CB 3.41Å; K121-L124 PolarHBondContact O-N 3.25Å; K121-L124 VanDerWaalsContact O-N 3.07Å; K121-Y125 HydrophobicContact CB-CD2 3.68Å; K121-Y125 HydrophobicContact CB-CE2 3.45Å; K121-Y125 VanDerWaalsContact CB-CE2 3.45Å; K121-Y125 HydrophobicContact CD-CE2 4.14Å; K121-Y125 HydrophobicContact CG-CE2 4.42Å; K121-Y125 WeakPolarHBondContact O-CD2 3.48Å; K121-Y125 PolarHBondContact O-N 3.21Å
122	D	78.3	Confident	80	Confident	56 Å²	56	69.6 Å²	69.6	30%	0.299	36%	0.363	S	S	.	.	H	α-helix	trans	-58	-49.7	-172.2	-62.8	5.2	0	0	0	112.2	V120 L124 Y125 L126 R972	V120-D122 HydrophobicContact CG1-CB 4.18Å; D122-L124 VanDerWaalsContact C-N 3.28Å; D122-L124 PolarHBondContact O-N 2.99Å; D122-Y125 PolarHBondContact O-N 2.88Å; D122-L126 WeakPolarHBondContact O-CB 3.47Å; D122-L126 PolarHBondContact O-N 2.78Å; D122-R972 IonicContact OD1-CZ 2.74Å; D122-R972 IonicContact OD1-NH1 2.68Å; D122-R972 IonicContact OD1-NH2 3.42Å; D122-R972 PolarHBondContact OD1-NH2 3.45Å; D122-R972 IonicContact OD2-CZ 3.8Å; D122-R972 IonicContact OD2-NH1 3.92Å; D122-R972 PolarHBondContact OD2-NH1 3.44Å; D122-R972 IonicContact OD2-NH2 3.58Å; D122-R972 PolarHBondContact OD2-NH2 3.49Å
123	N	81.7	Confident	80.4	Confident	17 Å²	17	68.7 Å²	68.7	9%	0.091	36%	0.36	C	S	.	.	H	α-helix	trans	-65.5	-31.3	178.1	-74.4	-24.8	0	0	0	112.5	C105 Q112 K121 G127	C105-N123 WeakPolarHBondContact CB-O 3.46Å; Q112-N123 VanDerWaalsContact CD-ND2 3.3Å; Q112-N123 PolarHBondContact NE2-ND2 3.42Å; Q112-N123 PolarHBondContact OE1-ND2 3.22Å; K121-N123 PolarHBondContact O-N 2.94Å; N123-G127 PolarHBondContact O-N 3.01Å
124	L	88.2	Confident	80.8	Confident	48 Å²	48	62.5 Å²	62.5	25%	0.251	34%	0.337	S	S	.	.	H	α-helix	trans	-67.9	-49.4	174.3	178.1	67.6	0	0	0	111.1	F106 Y109 K121 D122 G127 I128	F106-L124 HydrophobicContact CD1-CD1 4.25Å; F106-L124 HydrophobicContact CE1-CD1 4.13Å; Y109-L124 HydrophobicContact CD1-CB 4.09Å; Y109-L124 HydrophobicContact CD1-CD1 4.16Å; Y109-L124 HydrophobicContact CD2-CB 3.84Å; Y109-L124 HydrophobicContact CE1-CB 4.19Å; Y109-L124 HydrophobicContact CE1-CD1 4.17Å; Y109-L124 HydrophobicContact CE1-CD2 4.15Å; Y109-L124 HydrophobicContact CE1-CG 4.41Å; Y109-L124 HydrophobicContact CE2-CB 3.96Å; Y109-L124 HydrophobicContact CG-CB 3.91Å; K121-L124 WeakPolarHBondContact O-CB 3.41Å; K121-L124 PolarHBondContact O-N 3.25Å; K121-L124 VanDerWaalsContact O-N 3.07Å; D122-L124 VanDerWaalsContact C-N 3.28Å; D122-L124 PolarHBondContact O-N 2.99Å; L124-G127 PolarHBondContact O-N 3.02Å; L124-I128 HydrophobicContact CD1-CD1 4.18Å; L124-I128 HydrophobicContact CG-CD1 4.08Å; L124-I128 WeakPolarHBondContact O-CG1 3.48Å; L124-I128 PolarHBondContact O-N 3.49Å
125	Y	86.3	Confident	81.2	Confident	138 Å²	138	60.3 Å²	60.3	54%	0.541	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-45.3	177.9	-76	-67.7	0	0	0	111.2	K121 D122 G127 I128 V129	K121-Y125 HydrophobicContact CB-CD2 3.68Å; K121-Y125 HydrophobicContact CB-CE2 3.45Å; K121-Y125 VanDerWaalsContact CB-CE2 3.45Å; K121-Y125 HydrophobicContact CD-CE2 4.14Å; K121-Y125 HydrophobicContact CG-CE2 4.42Å; K121-Y125 WeakPolarHBondContact O-CD2 3.48Å; K121-Y125 PolarHBondContact O-N 3.21Å; D122-Y125 PolarHBondContact O-N 2.88Å; Y125-G127 PolarHBondContact O-N 2.92Å; Y125-I128 PolarHBondContact O-N 3.37Å; Y125-V129 VanDerWaalsContact O-CG2 3.29Å; Y125-V129 WeakPolarHBondContact O-CG2 3.45Å; Y125-V129 PolarHBondContact O-N 2.89Å
126	L	84.7	Confident	81.7	Confident	19 Å²	19	61.3 Å²	61.3	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-45.6	177.3	-177.6	61	0	0	0	111.5	D122 I128 V129 L130 T797 L801	D122-L126 WeakPolarHBondContact O-CB 3.47Å; D122-L126 PolarHBondContact O-N 2.78Å; L126-I128 VanDerWaalsContact C-N 3.34Å; L126-I128 PolarHBondContact O-N 3.46Å; L126-V129 PolarHBondContact O-N 2.86Å; L126-L130 HydrophobicContact CD1-CD1 4.33Å; L126-L130 HydrophobicContact CD1-CG 4.18Å; L126-L130 HydrophobicContact CG-CD1 4.15Å; L126-L130 HydrophobicContact CG-CG 4.41Å; L126-L130 WeakPolarHBondContact O-CB 3.34Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.42Å; L126-L130 PolarHBondContact O-N 2.7Å; L126-T797 HydrophobicContact CD1-CG2 3.52Å; L126-T797 HydrophobicContact CD2-CG2 3.86Å; L126-T797 HydrophobicContact CG-CG2 4.36Å; L126-L801 HydrophobicContact CD1-CD1 3.99Å
127	G	88.6	Confident	82.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-40.6	176.3	0	0	0	0	0	113.3	N123 L124 Y125 L131	N123-G127 PolarHBondContact O-N 3.01Å; L124-G127 PolarHBondContact O-N 3.02Å; Y125-G127 PolarHBondContact O-N 2.92Å; G127-L131 WeakPolarHBondContact O-CB 3.42Å; G127-L131 PolarHBondContact O-N 2.95Å
128	I	92.2	Very high	83.6	Confident	85 Å²	85	49.2 Å²	49.2	44%	0.436	26%	0.256	S	S	.	.	H	α-helix	trans	-66.8	-42.1	175.9	-67.7	167.1	0	0	0	111.2	F106 L124 Y125 L126 L131 A132	F106-I128 HydrophobicContact CE1-CG1 4.17Å; F106-I128 HydrophobicContact CZ-CG1 4.34Å; L124-I128 HydrophobicContact CD1-CD1 4.18Å; L124-I128 HydrophobicContact CG-CD1 4.08Å; L124-I128 WeakPolarHBondContact O-CG1 3.48Å; L124-I128 PolarHBondContact O-N 3.49Å; Y125-I128 PolarHBondContact O-N 3.37Å; L126-I128 VanDerWaalsContact C-N 3.34Å; L126-I128 PolarHBondContact O-N 3.46Å; I128-L131 WeakPolarHBondContact O-CB 3.42Å; I128-L131 PolarHBondContact O-N 2.81Å; I128-A132 WeakPolarHBondContact O-CB 3.47Å; I128-A132 PolarHBondContact O-N 2.91Å
129	V	89.1	Confident	84.9	Confident	61 Å²	61	46.3 Å²	46.3	37%	0.37	25%	0.248	S	C	.	.	H	α-helix	trans	-66.2	-47.5	179.6	174.2	0	0	0	0	110.5	Y125 L126 L131 A132 V133 L801	Y125-V129 VanDerWaalsContact O-CG2 3.29Å; Y125-V129 WeakPolarHBondContact O-CG2 3.45Å; Y125-V129 PolarHBondContact O-N 2.89Å; L126-V129 PolarHBondContact O-N 2.86Å; V129-L131 VanDerWaalsContact C-N 3.28Å; V129-L131 PolarHBondContact O-N 3.1Å; V129-A132 WeakPolarHBondContact O-CB 3.45Å; V129-A132 PolarHBondContact O-N 2.86Å; V129-V133 HydrophobicContact CG1-CG2 4.34Å; V129-V133 VanDerWaalsContact O-CG2 3.31Å; V129-V133 WeakPolarHBondContact O-CG2 3.25Å; V129-V133 PolarHBondContact O-N 3.29Å; V129-L801 HydrophobicContact CG1-CD1 3.73Å
130	L	88.3	Confident	85.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-40.9	176.1	-68.2	176.9	0	0	0	111.8	L98 A102 L126 V133 V134 V323	L98-L130 HydrophobicContact CD2-CD2 4.13Å; A102-L130 HydrophobicContact CB-CB 3.95Å; L126-L130 HydrophobicContact CD1-CD1 4.33Å; L126-L130 HydrophobicContact CD1-CG 4.18Å; L126-L130 HydrophobicContact CG-CD1 4.15Å; L126-L130 HydrophobicContact CG-CG 4.41Å; L126-L130 WeakPolarHBondContact O-CB 3.34Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.42Å; L126-L130 PolarHBondContact O-N 2.7Å; L130-V133 PolarHBondContact O-N 2.91Å; L130-V134 WeakPolarHBondContact O-CG2 3.37Å; L130-V134 PolarHBondContact O-N 3.19Å; L130-V323 HydrophobicContact CD1-CG2 4.06Å; L130-V323 HydrophobicContact CD2-CG1 4.39Å; L130-V323 HydrophobicContact CD2-CG2 4.28Å
131	L	91	Very high	86.2	Confident	60 Å²	60	46.2 Å²	46.2	31%	0.314	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-45.3	173.3	178.6	67.5	0	0	0	111.8	W99 G127 I128 V129 V133 V134 V135	W99-L131 HydrophobicContact CE3-CD1 4.18Å; W99-L131 HydrophobicContact CH2-CD1 3.19Å; W99-L131 HydrophobicContact CZ2-CD1 4.15Å; W99-L131 HydrophobicContact CZ3-CD1 3.22Å; G127-L131 WeakPolarHBondContact O-CB 3.42Å; G127-L131 PolarHBondContact O-N 2.95Å; I128-L131 WeakPolarHBondContact O-CB 3.42Å; I128-L131 PolarHBondContact O-N 2.81Å; V129-L131 VanDerWaalsContact C-N 3.28Å; V129-L131 PolarHBondContact O-N 3.1Å; L131-V133 VanDerWaalsContact C-N 3.34Å; L131-V134 PolarHBondContact O-N 2.95Å; L131-V135 WeakPolarHBondContact O-CG2 3.39Å; L131-V135 PolarHBondContact O-N 3.23Å
132	A	90.9	Very high	86.3	Confident	45 Å²	45	44.9 Å²	44.9	37%	0.372	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-41	178.2	0	0	0	0	0	111.6	I128 V129 V135 I136	I128-A132 WeakPolarHBondContact O-CB 3.47Å; I128-A132 PolarHBondContact O-N 2.91Å; V129-A132 WeakPolarHBondContact O-CB 3.45Å; V129-A132 PolarHBondContact O-N 2.86Å; A132-V135 PolarHBondContact O-N 2.94Å; A132-I136 WeakPolarHBondContact O-CB 3.1Å; A132-I136 VanDerWaalsContact O-CG1 3.23Å; A132-I136 WeakPolarHBondContact O-CG1 3.39Å; A132-I136 PolarHBondContact O-N 3.35Å
133	V	88.8	Confident	86.3	Confident	10 Å²	10	49.9 Å²	49.9	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-58	-50.7	175	171.2	0	0	0	0	110.3	L98 V129 L130 L131 V135 I136 T137 E328 L805	L98-V133 HydrophobicContact CD1-CG1 4.12Å; V129-V133 HydrophobicContact CG1-CG2 4.34Å; V129-V133 VanDerWaalsContact O-CG2 3.31Å; V129-V133 WeakPolarHBondContact O-CG2 3.25Å; V129-V133 PolarHBondContact O-N 3.29Å; L130-V133 PolarHBondContact O-N 2.91Å; L131-V133 VanDerWaalsContact C-N 3.34Å; V133-V135 VanDerWaalsContact C-N 3.3Å; V133-V135 PolarHBondContact O-N 3.2Å; V133-I136 PolarHBondContact O-N 3.2Å; V133-T137 HydrophobicContact CG1-CG2 4.25Å; V133-T137 WeakPolarHBondContact O-CG2 3.25Å; V133-T137 PolarHBondContact O-N 3.09Å; V133-T137 PolarHBondContact O-OG1 3.02Å; V133-E328 HydrophobicContact CG1-CB 3.92Å; V133-E328 HydrophobicContact CG1-CG 4.16Å; V133-L805 HydrophobicContact CG2-CD1 3.45Å; V133-L805 VanDerWaalsContact CG2-CD1 3.45Å
134	V	89.8	Confident	85.7	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-39.8	178.9	173.1	0	0	0	0	112.5	L90 L98 W99 L130 L131 T137 G138	L90-V134 HydrophobicContact CD2-CG1 4.34Å; L90-V134 WeakPolarHBondContact CD2-O 3.24Å; L98-V134 HydrophobicContact CB-CG2 3.35Å; L98-V134 HydrophobicContact CD1-CG2 3.89Å; L98-V134 HydrophobicContact CG-CG2 4.28Å; W99-V134 HydrophobicContact CD2-CG1 4.41Å; W99-V134 HydrophobicContact CZ2-CG1 4.01Å; W99-V134 VanDerWaalsContact NE1-CG1 3.35Å; L130-V134 WeakPolarHBondContact O-CG2 3.37Å; L130-V134 PolarHBondContact O-N 3.19Å; L131-V134 PolarHBondContact O-N 2.95Å; V134-T137 WeakPolarHBondContact CA-OG1 3.5Å; V134-T137 PolarHBondContact O-OG1 2.8Å; V134-T137 VanDerWaalsContact O-OG1 3.09Å; V134-G138 PolarHBondContact O-N 2.84Å
135	V	90.7	Very high	84.8	Confident	61 Å²	61	51.9 Å²	51.9	37%	0.37	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-44.2	177.2	172.4	0	0	0	0	111	L131 A132 V133 G138 C139	L131-V135 WeakPolarHBondContact O-CG2 3.39Å; L131-V135 PolarHBondContact O-N 3.23Å; A132-V135 PolarHBondContact O-N 2.94Å; V133-V135 VanDerWaalsContact C-N 3.3Å; V133-V135 PolarHBondContact O-N 3.2Å; V135-G138 PolarHBondContact O-N 2.94Å; V135-C139 WeakPolarHBondContact O-CB 3.13Å; V135-C139 PolarHBondContact O-N 3.1Å; V135-C139 PolarHBondContact O-SG 2.86Å
136	I	88.9	Confident	83.8	Confident	96 Å²	96	47.3 Å²	47.3	49%	0.492	25%	0.249	S	C	.	.	H	α-helix	trans	-65.6	-47.5	-179.6	-69.1	166.2	0	0	0	110.5	A132 V133 G138 C139 F140	A132-I136 WeakPolarHBondContact O-CB 3.1Å; A132-I136 VanDerWaalsContact O-CG1 3.23Å; A132-I136 WeakPolarHBondContact O-CG1 3.39Å; A132-I136 PolarHBondContact O-N 3.35Å; V133-I136 PolarHBondContact O-N 3.2Å; I136-G138 VanDerWaalsContact C-N 3.34Å; I136-G138 PolarHBondContact O-N 3.25Å; I136-C139 WeakPolarHBondContact O-CB 3.24Å; I136-C139 PolarHBondContact O-N 3.2Å; I136-F140 HydrophobicContact CG2-CD2 3.9Å; I136-F140 HydrophobicContact CG2-CE2 3.73Å; I136-F140 VanDerWaalsContact O-CD2 3.29Å; I136-F140 WeakPolarHBondContact O-CD2 3.32Å; I136-F140 PolarHBondContact O-N 2.85Å
137	T	83.2	Confident	82.6	Confident	11 Å²	11	52.5 Å²	52.5	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-43.4	176.7	56.2	0	0	0	0	110.9	V133 V134 C139 F140 S141	V133-T137 HydrophobicContact CG1-CG2 4.25Å; V133-T137 WeakPolarHBondContact O-CG2 3.25Å; V133-T137 PolarHBondContact O-N 3.09Å; V133-T137 PolarHBondContact O-OG1 3.02Å; V134-T137 WeakPolarHBondContact CA-OG1 3.5Å; V134-T137 PolarHBondContact O-OG1 2.8Å; V134-T137 VanDerWaalsContact O-OG1 3.09Å; T137-C139 VanDerWaalsContact C-N 3.3Å; T137-C139 PolarHBondContact O-N 3.12Å; T137-F140 PolarHBondContact O-N 2.78Å; T137-F140 VanDerWaalsContact O-N 3.15Å; T137-S141 PolarHBondContact O-N 3.43Å; T137-S141 PolarHBondContact O-OG 3.19Å
138	G	84.8	Confident	80.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-36.2	174.4	0	0	0	0	0	113.9	T89 V134 V135 I136 Y142	T89-G138 PolarHBondContact OG1-O 3.34Å; V134-G138 PolarHBondContact O-N 2.84Å; V135-G138 PolarHBondContact O-N 2.94Å; I136-G138 VanDerWaalsContact C-N 3.34Å; I136-G138 PolarHBondContact O-N 3.25Å; G138-Y142 VanDerWaalsContact O-CB 3.23Å; G138-Y142 WeakPolarHBondContact O-CB 3.33Å; G138-Y142 PolarHBondContact O-N 2.96Å
139	C	87.3	Confident	79.2	Confident	58 Å²	58	52.2 Å²	52.2	39%	0.392	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-43.9	172.9	-74.9	0	0	0	0	112.4	V135 I136 T137 Y142 Y143	V135-C139 WeakPolarHBondContact O-CB 3.13Å; V135-C139 PolarHBondContact O-N 3.1Å; V135-C139 PolarHBondContact O-SG 2.86Å; I136-C139 WeakPolarHBondContact O-CB 3.24Å; I136-C139 PolarHBondContact O-N 3.2Å; T137-C139 VanDerWaalsContact C-N 3.3Å; T137-C139 PolarHBondContact O-N 3.12Å; C139-Y142 PolarHBondContact O-N 3.11Å; C139-Y143 WeakPolarHBondContact O-CB 3.35Å; C139-Y143 PolarHBondContact O-N 2.81Å
140	F	80.8	Confident	77.9	Confident	89 Å²	89	58 Å²	58	39%	0.39	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-46.9	175.6	-83.2	-74.6	0	0	0	111.5	I136 T137 Y142 Y143 Q144	I136-F140 HydrophobicContact CG2-CD2 3.9Å; I136-F140 HydrophobicContact CG2-CE2 3.73Å; I136-F140 VanDerWaalsContact O-CD2 3.29Å; I136-F140 WeakPolarHBondContact O-CD2 3.32Å; I136-F140 PolarHBondContact O-N 2.85Å; T137-F140 PolarHBondContact O-N 2.78Å; T137-F140 VanDerWaalsContact O-N 3.15Å; F140-Y142 PolarHBondContact O-N 2.87Å; F140-Y143 PolarHBondContact O-N 2.87Å; F140-Q144 PolarHBondContact O-N 2.88Å; F140-Q144 VanDerWaalsContact O-N 3.13Å
141	S	78	Confident	76.4	Confident	30 Å²	30	59 Å²	59	21%	0.21	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-41.1	177.5	-58.8	0	0	0	0	112.5	T137 Q144 E145	T137-S141 PolarHBondContact O-N 3.43Å; T137-S141 PolarHBondContact O-OG 3.19Å; S141-Q144 WeakPolarHBondContact O-CB 3.28Å; S141-Q144 PolarHBondContact O-N 2.89Å; S141-E145 PolarHBondContact O-N 2.89Å; S141-E145 VanDerWaalsContact O-N 3.17Å
142	Y	81.9	Confident	74.7	Confident	59 Å²	59	56.8 Å²	56.8	23%	0.231	29%	0.285	C	S	.	.	H	α-helix	trans	-66.6	-39.3	176.1	171	-101.5	0	0	0	112.4	E82 K85 F86 G138 C139 F140 Q144 E145 S146	E82-Y142 PolarHBondContact OE2-OH 3.43Å; E82-Y142 VanDerWaalsContact OE2-OH 3.1Å; K85-Y142 HydrophobicContact CB-CD2 4.37Å; K85-Y142 HydrophobicContact CB-CE2 4.23Å; F86-Y142 HydrophobicContact CB-CD2 3.81Å; F86-Y142 HydrophobicContact CB-CE2 4.06Å; F86-Y142 HydrophobicContact CB-CG 4.23Å; F86-Y142 HydrophobicContact CD2-CD1 4.03Å; F86-Y142 HydrophobicContact CD2-CD2 4.14Å; F86-Y142 AromaticContact CD2-CG 3.68Å; F86-Y142 HydrophobicContact CD2-CG 3.68Å; F86-Y142 HydrophobicContact CG-CG 4.45Å; G138-Y142 VanDerWaalsContact O-CB 3.23Å; G138-Y142 WeakPolarHBondContact O-CB 3.33Å; G138-Y142 PolarHBondContact O-N 2.96Å; C139-Y142 PolarHBondContact O-N 3.11Å; F140-Y142 PolarHBondContact O-N 2.87Å; Y142-Q144 VanDerWaalsContact C-N 3.25Å; Y142-Q144 PolarHBondContact O-N 2.8Å; Y142-E145 PolarHBondContact O-N 3.22Å; Y142-S146 WeakPolarHBondContact O-CB 3.31Å; Y142-S146 PolarHBondContact O-N 2.95Å; Y142-S146 PolarHBondContact O-OG 3.11Å
143	Y	77.3	Confident	73.5	Confident	161 Å²	161	58.6 Å²	58.6	63%	0.631	29%	0.288	S	S	*	.	H	α-helix	trans	-59.5	-40.3	176.2	-178.4	-100.4	0	0	0	111.3	C139 F140 S146	C139-Y143 WeakPolarHBondContact O-CB 3.35Å; C139-Y143 PolarHBondContact O-N 2.81Å; F140-Y143 PolarHBondContact O-N 2.87Å; Y143-S146 PolarHBondContact O-OG 2.95Å
144	Q	70.2	Confident	72.3	Confident	19 Å²	19	58.5 Å²	58.5	9%	0.089	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-44.3	173.4	170.8	174.6	-10.7	0	0	112.8	F140 S141 Y142 T335 L355 E356	F140-Q144 PolarHBondContact O-N 2.88Å; F140-Q144 VanDerWaalsContact O-N 3.13Å; S141-Q144 WeakPolarHBondContact O-CB 3.28Å; S141-Q144 PolarHBondContact O-N 2.89Å; Y142-Q144 VanDerWaalsContact C-N 3.25Å; Y142-Q144 PolarHBondContact O-N 2.8Å; Q144-T335 PolarHBondContact OE1-OG1 3.2Å; Q144-L355 HydrophobicContact CB-CD1 4.21Å; Q144-L355 HydrophobicContact CG-CB 4.22Å; Q144-L355 HydrophobicContact CG-CD1 4.1Å; Q144-E356 PolarHBondContact NE2-OE1 3.04Å
145	E	68	Low	71	Confident	88 Å²	88	58.5 Å²	58.5	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-74.5	-37.5	-179.1	-74.4	-173.3	-173.7	0	0	114.2	S141 Y142 K147 S148	S141-E145 PolarHBondContact O-N 2.89Å; S141-E145 VanDerWaalsContact O-N 3.17Å; Y142-E145 PolarHBondContact O-N 3.22Å; E145-K147 PolarHBondContact O-N 3.48Å; E145-K147 VanDerWaalsContact O-N 3.1Å; E145-S148 PolarHBondContact O-N 3.48Å
146	S	65.7	Low	69.8	Low	41 Å²	41	60.3 Å²	60.3	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-21.9	-168	69.7	0	0	0	0	114.5	Y142 Y143 S148	Y142-S146 WeakPolarHBondContact O-CB 3.31Å; Y142-S146 PolarHBondContact O-N 2.95Å; Y142-S146 PolarHBondContact O-OG 3.11Å; Y143-S146 PolarHBondContact O-OG 2.95Å; S146-S148 PolarHBondContact O-N 3.47Å; S146-S148 VanDerWaalsContact O-N 3.17Å
147	K	59.1	Low	68.8	Low	129 Å²	129	61.4 Å²	61.4	56%	0.561	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.8	-174.8	-157.2	178	176.8	-164.7	0	113.6	E145	E145-K147 PolarHBondContact O-N 3.48Å; E145-K147 VanDerWaalsContact O-N 3.1Å
148	S	53.7	Low	67.9	Low	22 Å²	22	62.6 Å²	62.6	15%	0.154	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	1.5	-162.2	-155	0	0	0	0	118.2	E145 S146	E145-S148 PolarHBondContact O-N 3.48Å; S146-S148 PolarHBondContact O-N 3.47Å; S146-S148 VanDerWaalsContact O-N 3.17Å
149	S	56.3	Low	67.1	Low	56 Å²	56	64 Å²	64	39%	0.392	31%	0.311	S	S	.	.			trans	-119.4	63.9	-164.7	82.3	0	0	0	0	119.2	K85	K85-S149 PolarHBondContact NZ-OG 3.3Å; K85-S149 VanDerWaalsContact NZ-OG 3.11Å
150	R	61.8	Low	66.1	Low	183 Å²	183	62 Å²	62	69%	0.691	30%	0.298	S	S	*	.			trans	-135.1	48.5	172	-64.5	-168.6	-173.3	177	1.3	115.7	Q737	R150-Q737 PolarHBondContact O-OE1 3.39Å
151	I	56	Low	65.8	Low	22 Å²	22	66.2 Å²	66.2	11%	0.113	32%	0.319	C	S	.	.	S	Bend	trans	-70.6	-41.7	-177.8	-61.3	177.6	0	0	0	113.4	D153 S154 F155 K719 Q737	I151-D153 VanDerWaalsContact C-N 3.28Å; I151-D153 PolarHBondContact O-N 2.93Å; I151-S154 PolarHBondContact O-N 3.09Å; I151-S154 PolarHBondContact O-OG 3.42Å; I151-F155 HydrophobicContact CG2-CD2 4.38Å; I151-F155 HydrophobicContact CG2-CE2 4.03Å; I151-K719 HydrophobicContact CD1-CD 4.01Å; I151-K719 VanDerWaalsContact CD1-NZ 3.27Å; I151-Q737 HydrophobicContact CB-CB 4.5Å; I151-Q737 HydrophobicContact CG1-CB 4.32Å; I151-Q737 WeakPolarHBondContact CG1-O 3.39Å
152	M	54.9	Low	66.4	Low	13 Å²	13	68.1 Å²	68.1	6%	0.064	33%	0.329	C	S	.	.	H	α-helix	trans	-72.3	-22.4	-172.4	-170.9	55.6	69.9	0	0	113.8	P76 P77 S154 F155 K156	P76-M152 HydrophobicContact CB-CG 3.86Å; P77-M152 HydrophobicContact CG-CE 4.38Å; M152-S154 PolarHBondContact O-N 3.47Å; M152-F155 PolarHBondContact O-N 3.46Å; M152-F155 HydrophobicContact SD-CB 3.97Å; M152-K156 PolarHBondContact O-N 3.46Å
153	D	65.8	Low	66.8	Low	83 Å²	83	65.8 Å²	65.8	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-29	-178.7	-67.2	-20.1	0	0	0	111.7	I151 N157	I151-D153 VanDerWaalsContact C-N 3.28Å; I151-D153 PolarHBondContact O-N 2.93Å; D153-N157 PolarHBondContact O-ND2 2.97Å
154	S	64.5	Low	67.6	Low	7 Å²	7	60.5 Å²	60.5	5%	0.049	31%	0.305	C	S	.	.	H	α-helix	trans	-77	-36.8	176.8	58.8	0	0	0	0	113	I151 M152 K156 N157 D733	I151-S154 PolarHBondContact O-N 3.09Å; I151-S154 PolarHBondContact O-OG 3.42Å; M152-S154 PolarHBondContact O-N 3.47Å; S154-K156 VanDerWaalsContact C-N 3.33Å; S154-K156 PolarHBondContact O-N 2.71Å; S154-N157 PolarHBondContact O-N 3.44Å; S154-D733 PolarHBondContact OG-O 2.96Å
155	F	61.6	Low	68.7	Low	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-37	175.7	-79.2	-85.3	0	0	0	112.4	L74 I151 M152 N157 L158 M261 A265 V734	L74-F155 HydrophobicContact CD1-CB 4Å; L74-F155 HydrophobicContact CD1-CD1 4.33Å; I151-F155 HydrophobicContact CG2-CD2 4.38Å; I151-F155 HydrophobicContact CG2-CE2 4.03Å; M152-F155 PolarHBondContact O-N 3.46Å; M152-F155 HydrophobicContact SD-CB 3.97Å; F155-N157 PolarHBondContact O-N 2.89Å; F155-L158 HydrophobicContact CD1-CD1 4.47Å; F155-L158 WeakPolarHBondContact O-CB 3.31Å; F155-L158 PolarHBondContact O-N 3.22Å; F155-M261 HydrophobicContact CD1-CE 3.55Å; F155-M261 HydrophobicContact CE1-CE 3.37Å; F155-M261 HydrophobicContact CE1-SD 4.47Å; F155-A265 HydrophobicContact CD1-CB 3.54Å; F155-A265 HydrophobicContact CE1-CB 3.42Å; F155-A265 VanDerWaalsContact CE1-CB 3.42Å; F155-A265 HydrophobicContact CE2-CB 4.46Å; F155-A265 HydrophobicContact CG-CB 4.12Å; F155-A265 HydrophobicContact CZ-CB 3.91Å; F155-V734 HydrophobicContact CD1-CG1 4.44Å; F155-V734 HydrophobicContact CD1-CG2 3.9Å; F155-V734 HydrophobicContact CD2-CG1 4.25Å; F155-V734 HydrophobicContact CD2-CG2 4.11Å; F155-V734 HydrophobicContact CE1-CB 4.47Å; F155-V734 HydrophobicContact CE1-CG1 3.68Å; F155-V734 HydrophobicContact CE1-CG2 3.93Å; F155-V734 HydrophobicContact CE2-CB 4.36Å; F155-V734 HydrophobicContact CE2-CG1 3.45Å; F155-V734 VanDerWaalsContact CE2-CG1 3.45Å; F155-V734 HydrophobicContact CE2-CG2 4.13Å; F155-V734 HydrophobicContact CG-CG2 4.02Å; F155-V734 HydrophobicContact CZ-CB 4.22Å; F155-V734 HydrophobicContact CZ-CG1 3.12Å; F155-V734 HydrophobicContact CZ-CG2 4.06Å
156	K	65.5	Low	70	Confident	100 Å²	100	55.8 Å²	55.8	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-34.1	176	-74.9	-178.9	176.6	-177.2	0	112.8	M152 S154 L158 V159	M152-K156 PolarHBondContact O-N 3.46Å; S154-K156 VanDerWaalsContact C-N 3.33Å; S154-K156 PolarHBondContact O-N 2.71Å; K156-L158 PolarHBondContact O-N 2.87Å; K156-V159 PolarHBondContact O-N 2.88Å
157	N	68.5	Low	71.2	Confident	118 Å²	118	55.1 Å²	55.1	63%	0.631	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.5	177.4	-63.3	-23.6	0	0	0	113.2	D153 S154 F155 R192	D153-N157 PolarHBondContact O-ND2 2.97Å; S154-N157 PolarHBondContact O-N 3.44Å; F155-N157 PolarHBondContact O-N 2.89Å; N157-R192 PolarHBondContact O-NH1 2.77Å
158	L	64.7	Low	72.7	Confident	36 Å²	36	52.8 Å²	52.8	19%	0.188	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-23.4	176.7	-62.9	178.1	0	0	0	113.3	F155 K156 R192 M261 V734	F155-L158 HydrophobicContact CD1-CD1 4.47Å; F155-L158 WeakPolarHBondContact O-CB 3.31Å; F155-L158 PolarHBondContact O-N 3.22Å; K156-L158 PolarHBondContact O-N 2.87Å; L158-R192 PolarHBondContact O-NH1 2.94Å; L158-M261 HydrophobicContact CD1-CE 3.68Å; L158-V734 HydrophobicContact CD1-CG2 3.62Å
159	V	67.3	Low	74.3	Confident	29 Å²	29	53.4 Å²	53.4	18%	0.176	28%	0.278	C	S	.	.	S	Bend	trans	-67.6	126.5	-180	-167	0	0	0	0	109.3	K156 A176 F239	K156-V159 PolarHBondContact O-N 2.88Å; V159-A176 HydrophobicContact CG1-CB 4.42Å; V159-F239 HydrophobicContact CB-CZ 4.19Å; V159-F239 HydrophobicContact CG1-CE2 4.21Å; V159-F239 HydrophobicContact CG1-CZ 4.13Å; V159-F239 HydrophobicContact CG2-CZ 3.89Å
160	P	65.8	Low	75.9	Confident	18 Å²	18	56.3 Å²	56.3	12%	0.117	29%	0.289	C	S	.	.			trans	-60.9	147.3	171.2	21.3	-26.7	0	0	0	110.9	A176 R192 P194	P160-A176 HydrophobicContact CG-CB 4.22Å; P160-A176 WeakPolarHBondContact O-CB 3.35Å; P160-R192 HydrophobicContact CB-CB 4.03Å; P160-R192 HydrophobicContact CG-CB 4.17Å; P160-P194 HydrophobicContact CG-CB 3.77Å
161	Q	75.7	Confident	77.3	Confident	176 Å²	176	52.8 Å²	52.8	82%	0.822	28%	0.278	S	S	*	.	S	Bend	trans	-75.5	-38.1	-179.5	-66.6	-175.6	-8.2	0	0	111.9	P175 A176	Q161-P175 WeakPolarHBondContact O-CA 3.36Å; Q161-A176 PolarHBondContact O-N 3.38Å
162	T	89.5	Confident	79	Confident	70 Å²	70	54.2 Å²	54.2	43%	0.429	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.5	-179.3	61.5	0	0	0	0	111.4	E173 V174	T162-E173 WeakPolarHBondContact CB-OE1 3.27Å; T162-E173 PolarHBondContact OG1-OE1 2.63Å; T162-V174 CarbonylContact C-O 3.47Å; T162-V174 VanDerWaalsContact CA-O 3.32Å; T162-V174 WeakPolarHBondContact CA-O 3.3Å
163	A	91.2	Very high	80.7	Confident	11 Å²	11	60.1 Å²	60.1	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	149.7	178.5	0	0	0	0	0	110.8	E173 V174 I179 P194	A163-E173 WeakPolarHBondContact O-CA 3.41Å; A163-V174 PolarHBondContact N-O 3.32Å; A163-V174 PolarHBondContact O-N 2.9Å; A163-I179 HydrophobicContact CB-CD1 3.56Å; A163-P194 HydrophobicContact CB-CB 3.77Å; A163-P194 HydrophobicContact CB-CG 3.81Å
164	L	93.5	Very high	82	Confident	50 Å²	50	57 Å²	57	26%	0.262	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	112.9	178.7	-171.6	67.3	0	0	0	110	K171 V185 E186	L164-K171 HydrophobicContact CD1-CB 4.21Å; L164-V185 WeakPolarHBondContact O-CA 3.31Å; L164-E186 HydrophobicContact CD2-CB 4.07Å; L164-E186 HydrophobicContact CD2-CG 4.34Å; L164-E186 HydrophobicContact CG-CB 4.42Å; L164-E186 PolarHBondContact O-N 3.11Å
165	V	94.3	Very high	83.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	153	-179.7	-59.8	0	0	0	0	111.7	R167 K171 T172 V174 I179 I184 V185	V165-R167 HydrophobicContact CG2-CG 4.03Å; V165-K171 CarbonylContact O-C 3.42Å; V165-K171 WeakPolarHBondContact O-CA 3.49Å; V165-T172 WeakPolarHBondContact CG2-O 3.24Å; V165-T172 PolarHBondContact N-O 3.21Å; V165-T172 PolarHBondContact O-N 3.49Å; V165-V174 HydrophobicContact CB-CG2 4.37Å; V165-V174 HydrophobicContact CG1-CG2 3.83Å; V165-V174 HydrophobicContact CG2-CB 4.35Å; V165-V174 HydrophobicContact CG2-CG1 3.8Å; V165-V174 HydrophobicContact CG2-CG2 3.58Å; V165-I179 HydrophobicContact CG1-CD1 4.44Å; V165-I179 HydrophobicContact CG1-CG1 4.11Å; V165-I184 CarbonylContact C-O 3.4Å; V165-I184 VanDerWaalsContact CA-O 3.3Å; V165-I184 WeakPolarHBondContact CA-O 3.32Å; V165-V185 HydrophobicContact CG1-CG2 4.13Å
166	I	93.8	Very high	84.7	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114.5	171	-54.6	177.8	0	0	0	107.7	L170 K171 I184	I166-L170 WeakPolarHBondContact CA-O 3.45Å; I166-K171 HydrophobicContact CG1-CG 4.18Å; I166-I184 HydrophobicContact CB-CB 4.26Å; I166-I184 HydrophobicContact CB-CG2 4.43Å; I166-I184 HydrophobicContact CD1-CG2 3.96Å; I166-I184 HydrophobicContact CG1-CG2 4.37Å; I166-I184 PolarHBondContact N-O 3.01Å
167	R	92.3	Very high	85.9	Confident	26 Å²	26	61.3 Å²	61.3	10%	0.098	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.9	177.4	-68.7	175.3	177	169.6	0.5	108.8	N55 L57 V62 V165 G169 L170 S178 D183	N55-R167 CarbonylContact O-C 3.57Å; L57-R167 VanDerWaalsContact O-CA 3.32Å; L57-R167 WeakPolarHBondContact O-CA 3.44Å; V62-R167 VanDerWaalsContact CG1-CZ 3.45Å; V62-R167 HydrophobicContact CG2-CG 4.38Å; V165-R167 HydrophobicContact CG2-CG 4.03Å; R167-G169 PolarHBondContact O-N 2.72Å; R167-G169 VanDerWaalsContact O-N 3.1Å; R167-L170 PolarHBondContact N-O 2.75Å; R167-L170 PolarHBondContact O-N 2.92Å; R167-L170 VanDerWaalsContact O-O 3.14Å; R167-S178 PolarHBondContact NH2-O 2.86Å; R167-D183 IonicContact CZ-OD1 2.96Å; R167-D183 IonicContact CZ-OD2 2.85Å; R167-D183 IonicContact NE-OD1 2.75Å; R167-D183 PolarHBondContact NE-OD1 3.2Å; R167-D183 IonicContact NE-OD2 3.28Å; R167-D183 IonicContact NH2-OD1 3.89Å; R167-D183 IonicContact NH2-OD2 3.73Å; R167-D183 PolarHBondContact NH2-OD2 2.81Å
168	D	89.5	Confident	87	Confident	80 Å²	80	57 Å²	57	43%	0.428	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	32.9	-175.3	-61.8	-61.3	0	0	0	113.7	N55 L57 K58 S59 L170	N55-D168 PolarHBondContact O-N 2.85Å; L57-D168 PolarHBondContact O-N 3.46Å; L57-D168 VanDerWaalsContact O-N 3.07Å; K58-D168 VanDerWaalsContact CA-OD1 3.31Å; K58-D168 WeakPolarHBondContact CA-OD1 3.37Å; S59-D168 VanDerWaalsContact CB-OD2 3.29Å; S59-D168 WeakPolarHBondContact CB-OD2 3.43Å; S59-D168 PolarHBondContact N-OD2 3.33Å; S59-D168 PolarHBondContact OG-OD2 2.92Å; D168-L170 PolarHBondContact O-N 3.08Å
169	G	87.3	Confident	88.4	Confident	36 Å²	36	55.2 Å²	55.2	37%	0.371	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	2.1	-177.3	0	0	0	0	0	115.5	N55 R167	N55-G169 PolarHBondContact O-N 3.13Å; R167-G169 PolarHBondContact O-N 2.72Å; R167-G169 VanDerWaalsContact O-N 3.1Å
170	L	90.5	Very high	89.7	Confident	117 Å²	117	54 Å²	54	61%	0.613	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.1	-178.5	-62.8	167.6	0	0	0	111	I166 R167 D168 T172	I166-L170 WeakPolarHBondContact CA-O 3.45Å; R167-L170 PolarHBondContact N-O 2.75Å; R167-L170 PolarHBondContact O-N 2.92Å; R167-L170 VanDerWaalsContact O-O 3.14Å; D168-L170 PolarHBondContact O-N 3.08Å; L170-T172 HydrophobicContact CB-CG2 4.4Å; L170-T172 PolarHBondContact O-N 2.88Å
171	K	91.7	Very high	91.1	Very high	108 Å²	108	53.9 Å²	53.9	47%	0.47	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	117.7	169.1	-65.5	-174.1	-175.2	-172.6	0	108.7	L164 V165 I166 E186	L164-K171 HydrophobicContact CD1-CB 4.21Å; V165-K171 CarbonylContact O-C 3.42Å; V165-K171 WeakPolarHBondContact O-CA 3.49Å; I166-K171 HydrophobicContact CG1-CG 4.18Å; K171-E186 WeakPolarHBondContact CE-OE2 3.5Å; K171-E186 IonicContact NZ-OE1 2.93Å; K171-E186 PolarHBondContact NZ-OE1 3.15Å; K171-E186 IonicContact NZ-OE2 2.62Å; K171-E186 PolarHBondContact NZ-OE2 3.26Å
172	T	90.6	Very high	91.9	Very high	52 Å²	52	45.5 Å²	45.5	32%	0.319	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.2	-179.8	53.3	0	0	0	0	109.5	V165 L170	V165-T172 WeakPolarHBondContact CG2-O 3.24Å; V165-T172 PolarHBondContact N-O 3.21Å; V165-T172 PolarHBondContact O-N 3.49Å; L170-T172 HydrophobicContact CB-CG2 4.4Å; L170-T172 PolarHBondContact O-N 2.88Å
173	E	92	Very high	92.1	Very high	137 Å²	137	42.2 Å²	42.2	64%	0.64	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86	121.5	172.2	-172	174.1	-174.9	0	0	108.4	T162 A163	T162-E173 WeakPolarHBondContact CB-OE1 3.27Å; T162-E173 PolarHBondContact OG1-OE1 2.63Å; A163-E173 WeakPolarHBondContact O-CA 3.41Å
174	V	92.3	Very high	92.3	Very high	18 Å²	18	41.8 Å²	41.8	11%	0.109	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154	-175.8	-59.4	0	0	0	0	110.5	T162 A163 V165 A176 S178 I179	T162-V174 CarbonylContact C-O 3.47Å; T162-V174 VanDerWaalsContact CA-O 3.32Å; T162-V174 WeakPolarHBondContact CA-O 3.3Å; A163-V174 PolarHBondContact N-O 3.32Å; A163-V174 PolarHBondContact O-N 2.9Å; V165-V174 HydrophobicContact CB-CG2 4.37Å; V165-V174 HydrophobicContact CG1-CG2 3.83Å; V165-V174 HydrophobicContact CG2-CB 4.35Å; V165-V174 HydrophobicContact CG2-CG1 3.8Å; V165-V174 HydrophobicContact CG2-CG2 3.58Å; V174-A176 PolarHBondContact O-N 2.86Å; V174-S178 WeakPolarHBondContact CB-OG 3.24Å; V174-I179 HydrophobicContact CG2-CG1 4.38Å
175	P	91.9	Very high	92.4	Very high	77 Å²	77	39.4 Å²	39.4	50%	0.5	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	136.7	169.5	-22	33.2	0	0	0	110.2	Q161 E177 S178	Q161-P175 WeakPolarHBondContact O-CA 3.36Å; P175-E177 PolarHBondContact O-N 2.78Å; P175-E177 VanDerWaalsContact O-N 3.11Å; P175-S178 WeakPolarHBondContact O-CB 3.33Å; P175-S178 PolarHBondContact O-N 3.11Å; P175-S178 PolarHBondContact O-OG 3.36Å
176	A	90.3	Very high	92.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-59	-29.7	-175.8	0	0	0	0	0	112.8	N72 V159 P160 Q161 V174 S178 I179 P194	N72-A176 WeakPolarHBondContact CB-O 3.3Å; N72-A176 PolarHBondContact ND2-O 3.48Å; V159-A176 HydrophobicContact CG1-CB 4.42Å; P160-A176 HydrophobicContact CG-CB 4.22Å; P160-A176 WeakPolarHBondContact O-CB 3.35Å; Q161-A176 PolarHBondContact O-N 3.38Å; V174-A176 PolarHBondContact O-N 2.86Å; A176-S178 PolarHBondContact O-N 3.33Å; A176-I179 WeakPolarHBondContact O-CB 3.39Å; A176-I179 PolarHBondContact O-N 2.85Å; A176-P194 HydrophobicContact CB-CB 4.43Å
177	E	91	Very high	92.3	Very high	120 Å²	120	41.2 Å²	41.2	56%	0.561	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-61.2	-23.2	175.8	-60.5	-176.6	176.3	0	0	113.7	P71 N72 A73 P175	P71-E177 CarbonylContact C-O 3.54Å; P71-E177 WeakPolarHBondContact CA-O 3.43Å; P71-E177 HydrophobicContact CB-CB 4.37Å; P71-E177 WeakPolarHBondContact CB-O 3.44Å; N72-E177 PolarHBondContact N-O 3.27Å; A73-E177 HydrophobicContact CB-CG 4.45Å; P175-E177 PolarHBondContact O-N 2.78Å; P175-E177 VanDerWaalsContact O-N 3.11Å
178	S	92.8	Very high	92.3	Very high	26 Å²	26	45.8 Å²	45.8	18%	0.182	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-89.9	-0.5	-178.4	72.8	0	0	0	0	114.1	R167 V174 P175 A176	R167-S178 PolarHBondContact NH2-O 2.86Å; V174-S178 WeakPolarHBondContact CB-OG 3.24Å; P175-S178 WeakPolarHBondContact O-CB 3.33Å; P175-S178 PolarHBondContact O-N 3.11Å; P175-S178 PolarHBondContact O-OG 3.36Å; A176-S178 PolarHBondContact O-N 3.33Å
179	I	93.3	Very high	92.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.			trans	-71.5	138.3	176.2	-68.4	171.9	0	0	0	109.9	N72 A163 V165 V174 A176 D183 P194 A195 V252 T255	N72-I179 HydrophobicContact CB-CB 4.28Å; N72-I179 WeakPolarHBondContact CB-O 3.19Å; A163-I179 HydrophobicContact CB-CD1 3.56Å; V165-I179 HydrophobicContact CG1-CD1 4.44Å; V165-I179 HydrophobicContact CG1-CG1 4.11Å; V174-I179 HydrophobicContact CG2-CG1 4.38Å; A176-I179 WeakPolarHBondContact O-CB 3.39Å; A176-I179 PolarHBondContact O-N 2.85Å; I179-D183 HydrophobicContact CG2-CB 4.43Å; I179-P194 HydrophobicContact CD1-CB 3.6Å; I179-P194 HydrophobicContact CD1-CG 3.74Å; I179-A195 HydrophobicContact CG2-CB 4.34Å; I179-V252 HydrophobicContact CG2-CB 4.36Å; I179-V252 HydrophobicContact CG2-CG1 4.07Å; I179-V252 HydrophobicContact CG2-CG2 3.68Å; I179-T255 HydrophobicContact CG2-CG2 4.38Å
180	V	95.2	Very high	92	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	26%	0.26	C	S	.	.			trans	-123.2	160.7	177.4	-61.1	0	0	0	0	111.4	L57 V62 R65 L66 G182 D183	L57-V180 HydrophobicContact CD1-CG2 3.83Å; V62-V180 HydrophobicContact CB-CG2 4.35Å; V62-V180 HydrophobicContact CG1-CG1 4.35Å; V62-V180 HydrophobicContact CG1-CG2 4.11Å; V62-V180 HydrophobicContact CG2-CG2 4.21Å; R65-V180 HydrophobicContact CB-CB 3.86Å; R65-V180 HydrophobicContact CB-CG1 3.99Å; R65-V180 HydrophobicContact CB-CG2 4.05Å; L66-V180 HydrophobicContact CB-CG1 3.85Å; L66-V180 HydrophobicContact CD1-CG1 4.07Å; V180-G182 PolarHBondContact O-N 3.31Å; V180-D183 WeakPolarHBondContact CG2-OD2 3.12Å; V180-D183 PolarHBondContact N-OD2 3.07Å; V180-D183 WeakPolarHBondContact O-CB 3.36Å; V180-D183 PolarHBondContact O-N 2.86Å; V180-D183 VanDerWaalsContact O-N 3.14Å
181	V	94.3	Very high	91.9	Very high	16 Å²	16	46.4 Å²	46.4	10%	0.097	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	130.2	173.5	177.1	0	0	0	0	109.6	L49 R65 T255	L49-V181 HydrophobicContact CD2-CG1 3.86Å; R65-V181 WeakPolarHBondContact CD-O 3.38Å; R65-V181 PolarHBondContact NH1-O 2.94Å; V181-T255 HydrophobicContact CG2-CG2 4.02Å
182	G	93.1	Very high	91.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-8.6	-175.7	0	0	0	0	0	115.4	T51 L57 V180 V252	T51-G182 WeakPolarHBondContact CB-O 3.43Å; T51-G182 WeakPolarHBondContact CG2-O 3.48Å; T51-G182 WeakPolarHBondContact OG1-CA 3.41Å; T51-G182 PolarHBondContact OG1-O 2.71Å; L57-G182 VanDerWaalsContact CD1-C 3.48Å; V180-G182 PolarHBondContact O-N 3.31Å; G182-V252 PolarHBondContact N-O 2.82Å
183	D	94.2	Very high	91.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.			trans	-62	147.9	171.6	-84.5	-36.7	0	0	0	110.9	R167 I179 V180 I251 V252	R167-D183 IonicContact CZ-OD1 2.96Å; R167-D183 IonicContact CZ-OD2 2.85Å; R167-D183 IonicContact NE-OD1 2.75Å; R167-D183 PolarHBondContact NE-OD1 3.2Å; R167-D183 IonicContact NE-OD2 3.28Å; R167-D183 IonicContact NH2-OD1 3.89Å; R167-D183 IonicContact NH2-OD2 3.73Å; R167-D183 PolarHBondContact NH2-OD2 2.81Å; I179-D183 HydrophobicContact CG2-CB 4.43Å; V180-D183 WeakPolarHBondContact CG2-OD2 3.12Å; V180-D183 PolarHBondContact N-OD2 3.07Å; V180-D183 WeakPolarHBondContact O-CB 3.36Å; V180-D183 PolarHBondContact O-N 2.86Å; V180-D183 VanDerWaalsContact O-N 3.14Å; D183-I251 CarbonylContact O-C 3.59Å; D183-I251 WeakPolarHBondContact O-CA 3.34Å; D183-V252 HydrophobicContact CB-CG2 4.1Å; D183-V252 WeakPolarHBondContact O-CG2 3.16Å; D183-V252 PolarHBondContact O-N 3.41Å
184	I	95.1	Very high	91.9	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.6	169.4	-61.2	179.5	0	0	0	108.3	T51 D52 P53 V165 I166 I200 G250	T51-I184 HydrophobicContact CG2-CD1 3.96Å; T51-I184 HydrophobicContact CG2-CG1 3.88Å; D52-I184 WeakPolarHBondContact O-CD1 3.48Å; P53-I184 WeakPolarHBondContact O-CD1 3.27Å; V165-I184 CarbonylContact C-O 3.4Å; V165-I184 VanDerWaalsContact CA-O 3.3Å; V165-I184 WeakPolarHBondContact CA-O 3.32Å; I166-I184 HydrophobicContact CB-CB 4.26Å; I166-I184 HydrophobicContact CB-CG2 4.43Å; I166-I184 HydrophobicContact CD1-CG2 3.96Å; I166-I184 HydrophobicContact CG1-CG2 4.37Å; I166-I184 PolarHBondContact N-O 3.01Å; I184-I200 HydrophobicContact CD1-CD1 4.3Å; I184-I200 HydrophobicContact CG1-CD1 4.33Å; I184-I200 HydrophobicContact CG2-CD1 4.38Å; I184-G250 WeakPolarHBondContact CA-O 3.49Å
185	V	94.6	Very high	91.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.5	-179.7	-177.7	0	0	0	0	109.2	L164 V165 V187 P194 I197 R249 G250 V252	L164-V185 WeakPolarHBondContact O-CA 3.31Å; V165-V185 HydrophobicContact CG1-CG2 4.13Å; V185-V187 HydrophobicContact CG1-CG2 3.96Å; V185-P194 HydrophobicContact CG1-CG 3.72Å; V185-P194 HydrophobicContact CG2-CG 4.38Å; V185-I197 HydrophobicContact CB-CG2 4.49Å; V185-I197 HydrophobicContact CG2-CG2 4.46Å; V185-R249 VanDerWaalsContact O-CA 3.31Å; V185-R249 WeakPolarHBondContact O-CA 3.45Å; V185-G250 PolarHBondContact N-O 2.82Å; V185-G250 PolarHBondContact O-N 2.97Å; V185-V252 HydrophobicContact CG2-CG2 3.45Å; V185-V252 VanDerWaalsContact CG2-CG2 3.45Å
186	E	94	Very high	92.1	Very high	43 Å²	43	32.7 Å²	32.7	20%	0.201	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.9	170.2	-173.1	170.3	116	0	0	109.3	L164 K171 C248 R249	L164-E186 HydrophobicContact CD2-CB 4.07Å; L164-E186 HydrophobicContact CD2-CG 4.34Å; L164-E186 HydrophobicContact CG-CB 4.42Å; L164-E186 PolarHBondContact O-N 3.11Å; K171-E186 WeakPolarHBondContact CE-OE2 3.5Å; K171-E186 IonicContact NZ-OE1 2.93Å; K171-E186 PolarHBondContact NZ-OE1 3.15Å; K171-E186 IonicContact NZ-OE2 2.62Å; K171-E186 PolarHBondContact NZ-OE2 3.26Å; E186-C248 WeakPolarHBondContact CA-O 3.46Å; E186-R249 HydrophobicContact CB-CG 4.29Å; E186-R249 HydrophobicContact CG-CG 4.14Å; E186-R249 IonicContact OE2-CZ 3.8Å; E186-R249 IonicContact OE2-NE 3.89Å; E186-R249 PolarHBondContact OE2-NE 2.66Å; E186-R249 IonicContact OE2-NH2 3.95Å; E186-R249 PolarHBondContact OE2-NH2 3.05Å
187	V	93.3	Very high	92.3	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.4	-178.1	-175.2	0	0	0	0	109.2	V185 D191 I193 I197 F205 A243 T247 C248	V185-V187 HydrophobicContact CG1-CG2 3.96Å; V187-D191 HydrophobicContact CG1-CB 3.92Å; V187-I193 HydrophobicContact CB-CD1 4.17Å; V187-I193 HydrophobicContact CG1-CD1 3.6Å; V187-I193 HydrophobicContact CG2-CD1 3.86Å; V187-I197 HydrophobicContact CG2-CD1 4.11Å; V187-F205 HydrophobicContact CB-CE2 4.4Å; V187-F205 HydrophobicContact CB-CZ 4.21Å; V187-F205 HydrophobicContact CG1-CE2 4.12Å; V187-F205 HydrophobicContact CG1-CZ 3.94Å; V187-A243 HydrophobicContact CG1-CB 3.78Å; V187-T247 WeakPolarHBondContact O-CA 3.26Å; V187-C248 PolarHBondContact N-O 3Å; V187-C248 PolarHBondContact O-N 2.88Å
188	K	90.6	Very high	92.5	Very high	121 Å²	121	27.4 Å²	27.4	53%	0.526	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	166.3	175.7	52	173.3	-179.8	-173.9	0	111.1	G190 D191 A243 T247	K188-G190 PolarHBondContact O-N 3.06Å; K188-D191 VanDerWaalsContact CE-OD1 3.23Å; K188-D191 WeakPolarHBondContact CE-OD1 3.47Å; K188-D191 WeakPolarHBondContact CE-OD2 3.43Å; K188-D191 WeakPolarHBondContact CG-OD2 3.49Å; K188-D191 WeakPolarHBondContact O-CB 3.49Å; K188-D191 PolarHBondContact O-N 3.01Å; K188-D191 VanDerWaalsContact O-N 3.08Å; K188-A243 VanDerWaalsContact O-CB 3.31Å; K188-A243 WeakPolarHBondContact O-CB 3.5Å; K188-T247 HydrophobicContact CB-CG2 4.15Å
189	F	86.7	Confident	92.6	Very high	140 Å²	140	26.2 Å²	26.2	61%	0.614	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.9	128.7	170.4	171	-106.5	0	0	0	112.3	D191 V244 G246	F189-D191 VanDerWaalsContact C-N 3.35Å; F189-V244 VanDerWaalsContact CD2-C 3.42Å; F189-V244 WeakPolarHBondContact CD2-O 3.5Å; F189-V244 WeakPolarHBondContact CE2-O 3.39Å; F189-G246 PolarHBondContact N-O 2.85Å; F189-G246 VanDerWaalsContact N-O 3.13Å
190	G	84.4	Confident	92.7	Very high	56 Å²	56	27.4 Å²	27.4	58%	0.577	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.2	-15.3	179.5	0	0	0	0	0	114.9	K188 A243	K188-G190 PolarHBondContact O-N 3.06Å; G190-A243 PolarHBondContact N-O 2.7Å
191	D	88.1	Confident	92.6	Very high	51 Å²	51	30.7 Å²	30.7	27%	0.273	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-79.4	151.5	177.9	-66.5	-6.7	0	0	0	111.3	V187 K188 F189 A243	V187-D191 HydrophobicContact CG1-CB 3.92Å; K188-D191 VanDerWaalsContact CE-OD1 3.23Å; K188-D191 WeakPolarHBondContact CE-OD1 3.47Å; K188-D191 WeakPolarHBondContact CE-OD2 3.43Å; K188-D191 WeakPolarHBondContact CG-OD2 3.49Å; K188-D191 WeakPolarHBondContact O-CB 3.49Å; K188-D191 PolarHBondContact O-N 3.01Å; K188-D191 VanDerWaalsContact O-N 3.08Å; F189-D191 VanDerWaalsContact C-N 3.35Å; D191-A243 WeakPolarHBondContact O-CB 3.32Å; D191-A243 PolarHBondContact O-N 3.13Å
192	R	88.8	Confident	92.5	Very high	98 Å²	98	31.5 Å²	31.5	37%	0.37	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-88.1	139.9	167.6	-85.4	177	-176	-169.6	7.7	110.2	N157 L158 P160 P194 T241 N242	N157-R192 PolarHBondContact O-NH1 2.77Å; L158-R192 PolarHBondContact O-NH1 2.94Å; P160-R192 HydrophobicContact CB-CB 4.03Å; P160-R192 HydrophobicContact CG-CB 4.17Å; R192-P194 WeakPolarHBondContact O-CD 3.4Å; R192-T241 WeakPolarHBondContact CA-O 3.27Å; R192-N242 WeakPolarHBondContact CG-OD1 3.39Å; R192-N242 PolarHBondContact NE-OD1 3.41Å
193	I	92.9	Very high	92.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-67.6	118.9	174.7	-54.9	-56.9	0	0	0	109.1	V187 A195 I197 F205 V207 A237 F238 S240 T241	V187-I193 HydrophobicContact CB-CD1 4.17Å; V187-I193 HydrophobicContact CG1-CD1 3.6Å; V187-I193 HydrophobicContact CG2-CD1 3.86Å; I193-A195 WeakPolarHBondContact CG2-O 3.2Å; I193-I197 HydrophobicContact CD1-CD1 4.38Å; I193-I197 HydrophobicContact CG2-CD1 4.21Å; I193-I197 HydrophobicContact CG2-CG1 4.15Å; I193-F205 HydrophobicContact CD1-CE1 4.49Å; I193-F205 HydrophobicContact CD1-CZ 4.01Å; I193-V207 HydrophobicContact CD1-CG1 4.5Å; I193-A237 HydrophobicContact CD1-CB 4.21Å; I193-A237 HydrophobicContact CG1-CB 4.25Å; I193-A237 HydrophobicContact CG2-CB 4.39Å; I193-F238 WeakPolarHBondContact CB-O 3.21Å; I193-F238 VanDerWaalsContact CG2-O 3.32Å; I193-F238 WeakPolarHBondContact CG2-O 3.13Å; I193-S240 PolarHBondContact O-N 2.74Å; I193-T241 WeakPolarHBondContact CG1-O 3.04Å; I193-T241 WeakPolarHBondContact CG1-OG1 3.28Å; I193-T241 PolarHBondContact N-O 2.92Å
194	P	92.8	Very high	91.9	Very high	2 Å²	2	40 Å²	40	1%	0.013	23%	0.226	C	C	.	.			trans	-85	-15.1	-167.9	34.2	-37.9	0	0	0	114.9	N72 P160 A163 A176 I179 V185 R192 F239	N72-P194 PolarHBondContact ND2-O 3.35Å; P160-P194 HydrophobicContact CG-CB 3.77Å; A163-P194 HydrophobicContact CB-CB 3.77Å; A163-P194 HydrophobicContact CB-CG 3.81Å; A176-P194 HydrophobicContact CB-CB 4.43Å; I179-P194 HydrophobicContact CD1-CB 3.6Å; I179-P194 HydrophobicContact CD1-CG 3.74Å; V185-P194 HydrophobicContact CG1-CG 3.72Å; V185-P194 HydrophobicContact CG2-CG 4.38Å; R192-P194 WeakPolarHBondContact O-CD 3.4Å; P194-F239 VanDerWaalsContact O-CD2 3.23Å; P194-F239 WeakPolarHBondContact O-CD2 3.4Å; P194-F239 WeakPolarHBondContact O-CE2 3.24Å
195	A	93.6	Very high	91.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-159.6	170.6	177.3	0	0	0	0	0	108.3	I179 I193 I197 V252 S254 T255	I179-A195 HydrophobicContact CG2-CB 4.34Å; I193-A195 WeakPolarHBondContact CG2-O 3.2Å; A195-I197 PolarHBondContact O-N 2.85Å; A195-V252 HydrophobicContact CB-CG1 3.72Å; A195-V252 HydrophobicContact CB-CG2 4.3Å; A195-S254 WeakPolarHBondContact CB-O 3.4Å; A195-T255 HydrophobicContact CB-CG2 4.5Å
196	D	94.7	Very high	91.4	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.5	171.5	-67.4	-17	0	0	0	108.9	F238 F239 V252 I253 S254 T259 V260	D196-F238 VanDerWaalsContact OD1-CA 3.28Å; D196-F238 WeakPolarHBondContact OD1-CA 3.37Å; D196-F239 PolarHBondContact OD1-N 2.96Å; D196-V252 WeakPolarHBondContact O-CA 3.45Å; D196-I253 HydrophobicContact CB-CD1 4.35Å; D196-I253 HydrophobicContact CB-CG1 3.92Å; D196-I253 WeakPolarHBondContact O-CG1 3.35Å; D196-I253 PolarHBondContact O-N 2.96Å; D196-S254 PolarHBondContact N-O 3.29Å; D196-T259 WeakPolarHBondContact OD2-CA 3.35Å; D196-T259 WeakPolarHBondContact OD2-CB 3.4Å; D196-V260 PolarHBondContact OD2-N 2.89Å
197	I	95	Very high	91.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.1	-175.9	62.1	175	0	0	0	112.1	V185 V187 I193 A195 L236 A237 I251 V252	V185-I197 HydrophobicContact CB-CG2 4.49Å; V185-I197 HydrophobicContact CG2-CG2 4.46Å; V187-I197 HydrophobicContact CG2-CD1 4.11Å; I193-I197 HydrophobicContact CD1-CD1 4.38Å; I193-I197 HydrophobicContact CG2-CD1 4.21Å; I193-I197 HydrophobicContact CG2-CG1 4.15Å; A195-I197 PolarHBondContact O-N 2.85Å; I197-L236 WeakPolarHBondContact O-CA 3.31Å; I197-A237 HydrophobicContact CD1-CB 4.12Å; I197-A237 HydrophobicContact CG1-CB 3.76Å; I197-A237 PolarHBondContact N-O 3.18Å; I197-A237 PolarHBondContact O-N 3.32Å; I197-I251 CarbonylContact C-O 3.51Å; I197-I251 VanDerWaalsContact CA-O 3.24Å; I197-I251 WeakPolarHBondContact CA-O 3.42Å; I197-V252 HydrophobicContact CG2-CG2 3.98Å
198	R	95.7	Very high	90.9	Very high	11 Å²	11	42.8 Å²	42.8	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.4	167.2	174.5	80.7	-179.3	75.3	3.7	109.5	L45 I200 T223 N235 L236 G250 I251 I253	L45-R198 HydrophobicContact CD2-CB 3.92Å; L45-R198 HydrophobicContact CD2-CG 3.52Å; R198-I200 PolarHBondContact O-N 2.92Å; R198-T223 PolarHBondContact NH1-O 3.49Å; R198-T223 PolarHBondContact NH2-O 2.87Å; R198-N235 WeakPolarHBondContact CD-O 3.32Å; R198-N235 VanDerWaalsContact CZ-CG 3.49Å; R198-N235 PolarHBondContact NE-ND2 3.05Å; R198-N235 PolarHBondContact NH1-ND2 3.2Å; R198-N235 PolarHBondContact NH1-O 3.1Å; R198-N235 PolarHBondContact NH2-ND2 3.15Å; R198-L236 HydrophobicContact CB-CD2 4.06Å; R198-G250 CarbonylContact O-C 3.59Å; R198-G250 WeakPolarHBondContact O-CA 3.33Å; R198-I251 HydrophobicContact CB-CG2 3.77Å; R198-I251 HydrophobicContact CG-CG2 4.33Å; R198-I251 PolarHBondContact N-O 3.2Å; R198-I251 PolarHBondContact O-N 3.37Å; R198-I253 HydrophobicContact CB-CG2 3.79Å
199	I	95.1	Very high	90.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	122.1	-171	-59.9	177.4	0	0	0	111.5	A202 F205 R221 T223 N235 A237 C248	I199-A202 HydrophobicContact CG2-CB 3.87Å; I199-F205 HydrophobicContact CD1-CD1 4.41Å; I199-R221 HydrophobicContact CD1-CB 3.5Å; I199-R221 HydrophobicContact CD1-CG 4.02Å; I199-T223 HydrophobicContact CG2-CG2 4.35Å; I199-N235 PolarHBondContact N-O 3.04Å; I199-A237 HydrophobicContact CD1-CB 4.34Å; I199-C248 HydrophobicContact CG2-CB 4.43Å
200	I	93.8	Very high	90.2	Very high	25 Å²	25	32.3 Å²	32.3	13%	0.128	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-42.5	179.2	-58.3	166.6	0	0	0	111	L42 Y46 I184 R198 T223 R249 I251	L42-I200 HydrophobicContact CD1-CG2 4.45Å; Y46-I200 HydrophobicContact CE1-CD1 4.02Å; Y46-I200 HydrophobicContact CE1-CG1 4.37Å; Y46-I200 WeakPolarHBondContact OH-CG2 3.5Å; I184-I200 HydrophobicContact CD1-CD1 4.3Å; I184-I200 HydrophobicContact CG1-CD1 4.33Å; I184-I200 HydrophobicContact CG2-CD1 4.38Å; R198-I200 PolarHBondContact O-N 2.92Å; I200-T223 VanDerWaalsContact C-CG2 3.45Å; I200-T223 WeakPolarHBondContact O-CG2 3.16Å; I200-R249 PolarHBondContact N-O 2.99Å; I200-I251 HydrophobicContact CD1-CB 4.1Å
201	T	93.3	Very high	89.8	Confident	73 Å²	73	30.4 Å²	30.4	45%	0.448	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	137.4	176.5	58.1	0	0	0	0	109.4	C248 R249	T201-C248 CarbonylContact O-C 3.51Å; T201-C248 VanDerWaalsContact O-CA 3.23Å; T201-C248 WeakPolarHBondContact O-CA 3.32Å; T201-C248 WeakPolarHBondContact O-CB 3.12Å; T201-R249 PolarHBondContact N-O 2.9Å; T201-R249 PolarHBondContact O-N 3.36Å; T201-R249 WeakPolarHBondContact OG1-CB 3.44Å
202	A	92	Very high	89.4	Confident	32 Å²	32	28.5 Å²	28.5	26%	0.264	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140	175.4	0	0	0	0	0	110.5	I199 F205 C248	I199-A202 HydrophobicContact CG2-CB 3.87Å; A202-F205 HydrophobicContact CB-CB 3.92Å; A202-C248 HydrophobicContact CB-CB 4.26Å
203	S	90.3	Very high	88.7	Confident	78 Å²	78	25.8 Å²	25.8	55%	0.545	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	103.4	174.3	-62.5	0	0	0	0	108.9	F205 G246 T247	S203-F205 PolarHBondContact O-N 3.17Å; S203-F205 VanDerWaalsContact O-N 3.07Å; S203-G246 VanDerWaalsContact O-CA 3.24Å; S203-G246 WeakPolarHBondContact O-CA 3.34Å; S203-T247 PolarHBondContact N-O 2.91Å; S203-T247 PolarHBondContact O-N 2.96Å; S203-T247 VanDerWaalsContact O-N 3.13Å
204	S	85	Confident	87.6	Confident	100 Å²	100	26.1 Å²	26.1	70%	0.699	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	50.5	29.4	-174.7	-58.2	0	0	0	0	114	K206	S204-K206 PolarHBondContact O-N 3.11Å
205	F	90	Very high	86.6	Confident	3 Å²	3	27.8 Å²	27.8	1%	0.013	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.8	-172.1	-167.4	-120.3	0	0	0	111.6	V187 I193 I199 A202 S203 V207 R221 A243 D245 C248	V187-F205 HydrophobicContact CB-CE2 4.4Å; V187-F205 HydrophobicContact CB-CZ 4.21Å; V187-F205 HydrophobicContact CG1-CE2 4.12Å; V187-F205 HydrophobicContact CG1-CZ 3.94Å; I193-F205 HydrophobicContact CD1-CE1 4.49Å; I193-F205 HydrophobicContact CD1-CZ 4.01Å; I199-F205 HydrophobicContact CD1-CD1 4.41Å; A202-F205 HydrophobicContact CB-CB 3.92Å; S203-F205 PolarHBondContact O-N 3.17Å; S203-F205 VanDerWaalsContact O-N 3.07Å; F205-V207 HydrophobicContact CD1-CG1 4.1Å; F205-V207 HydrophobicContact CE1-CG1 3.31Å; F205-V207 HydrophobicContact CZ-CG1 3.61Å; F205-R221 HydrophobicContact CB-CB 4.43Å; F205-R221 HydrophobicContact CD1-CB 3.7Å; F205-R221 HydrophobicContact CD1-CG 3.96Å; F205-R221 HydrophobicContact CE1-CG 4.39Å; F205-R221 PolarHBondContact O-N 3.21Å; F205-A243 HydrophobicContact CE2-CB 3.56Å; F205-A243 HydrophobicContact CZ-CB 3.79Å; F205-D245 WeakPolarHBondContact CA-O 3.47Å; F205-D245 VanDerWaalsContact CD2-O 3.24Å; F205-D245 WeakPolarHBondContact CD2-O 3.28Å; F205-C248 HydrophobicContact CB-CB 4.13Å; F205-C248 HydrophobicContact CD1-CB 3.57Å; F205-C248 VanDerWaalsContact CD1-SG 3.6Å; F205-C248 HydrophobicContact CD2-CB 3.98Å; F205-C248 HydrophobicContact CE1-CB 3.92Å; F205-C248 WeakPolarHBondContact CE1-SG 3.32Å; F205-C248 HydrophobicContact CE2-CB 4.26Å; F205-C248 HydrophobicContact CG-CB 3.63Å; F205-C248 HydrophobicContact CZ-CB 4.26Å; F205-C248 WeakPolarHBondContact CZ-SG 3.3Å
206	K	89.7	Confident	85.4	Confident	76 Å²	76	30.6 Å²	30.6	33%	0.33	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.5	174.7	-60.7	179.7	-177.4	168.1	0	110.2	S204 P218 Q219 V244 D245	S204-K206 PolarHBondContact O-N 3.11Å; K206-P218 HydrophobicContact CB-CB 4.06Å; K206-P218 HydrophobicContact CD-CB 4.25Å; K206-Q219 VanDerWaalsContact CA-O 3.31Å; K206-Q219 WeakPolarHBondContact CA-O 3.32Å; K206-V244 PolarHBondContact O-N 2.97Å; K206-D245 HydrophobicContact CB-CB 3.97Å; K206-D245 HydrophobicContact CD-CB 4.13Å; K206-D245 HydrophobicContact CG-CB 4.16Å; K206-D245 PolarHBondContact N-O 3.46Å; K206-D245 PolarHBondContact O-N 2.82Å
207	V	90.1	Very high	84.5	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.2	178.6	-61.5	0	0	0	0	111.1	I193 F205 N209 Q219 R221 A237 N242	I193-V207 HydrophobicContact CD1-CG1 4.5Å; F205-V207 HydrophobicContact CD1-CG1 4.1Å; F205-V207 HydrophobicContact CE1-CG1 3.31Å; F205-V207 HydrophobicContact CZ-CG1 3.61Å; V207-N209 WeakPolarHBondContact CG2-OD1 3.43Å; V207-Q219 PolarHBondContact N-O 3.3Å; V207-Q219 PolarHBondContact O-N 2.99Å; V207-R221 HydrophobicContact CG1-CG 4.14Å; V207-R221 HydrophobicContact CG2-CG 3.73Å; V207-A237 HydrophobicContact CG1-CB 4.4Å; V207-N242 CarbonylContact C-O 3.55Å; V207-N242 VanDerWaalsContact CA-O 3.26Å; V207-N242 WeakPolarHBondContact CA-O 3.47Å
208	D	86.3	Confident	84	Confident	30 Å²	30	37.6 Å²	37.6	16%	0.16	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.7	170	176.9	10.2	0	0	0	109.1	S210 T241 N242 V244	D208-S210 VanDerWaalsContact CG-OG 3.26Å; D208-S210 WeakPolarHBondContact OD1-CB 3.47Å; D208-S210 PolarHBondContact OD1-N 3.16Å; D208-S210 PolarHBondContact OD1-OG 3.09Å; D208-S210 PolarHBondContact OD2-OG 2.87Å; D208-S210 VanDerWaalsContact OD2-OG 3.08Å; D208-T241 VanDerWaalsContact O-CB 3.28Å; D208-T241 WeakPolarHBondContact O-CB 3.46Å; D208-N242 HydrophobicContact CB-CB 4.45Å; D208-N242 PolarHBondContact N-O 3.14Å; D208-V244 HydrophobicContact CB-CG2 3.52Å
209	N	85.2	Confident	83.5	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.016	24%	0.243	C	C	.	.			trans	-95.2	12.5	179.7	-85.1	13.4	0	0	0	112.9	V207 A211 L212 T213 R221 T241	V207-N209 WeakPolarHBondContact CG2-OD1 3.43Å; N209-A211 PolarHBondContact O-N 2.94Å; N209-L212 PolarHBondContact O-N 2.81Å; N209-T213 HydrophobicContact CB-CG2 4.28Å; N209-T213 PolarHBondContact O-N 2.98Å; N209-T213 PolarHBondContact O-OG1 3.05Å; N209-T213 VanDerWaalsContact O-OG1 3.09Å; N209-R221 PolarHBondContact ND2-NH2 3.09Å; N209-T241 WeakPolarHBondContact OD1-CG2 3.03Å
210	S	77.4	Confident	83.3	Confident	38 Å²	38	43.7 Å²	43.7	27%	0.266	27%	0.265	S	S	.	.	H	α-helix	trans	-51.5	-33.9	-177.7	55.9	0	0	0	0	113.9	D208 L212 G214 E215	D208-S210 VanDerWaalsContact CG-OG 3.26Å; D208-S210 WeakPolarHBondContact OD1-CB 3.47Å; D208-S210 PolarHBondContact OD1-N 3.16Å; D208-S210 PolarHBondContact OD1-OG 3.09Å; D208-S210 PolarHBondContact OD2-OG 2.87Å; D208-S210 VanDerWaalsContact OD2-OG 3.08Å; S210-L212 PolarHBondContact O-N 3.3Å; S210-G214 WeakPolarHBondContact O-CA 3.47Å; S210-G214 PolarHBondContact O-N 2.99Å; S210-E215 VanDerWaalsContact CA-O 3.24Å; S210-E215 WeakPolarHBondContact CA-O 3.43Å; S210-E215 PolarHBondContact N-O 2.78Å
211	A	76.4	Confident	83.2	Confident	16 Å²	16	43.4 Å²	43.4	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-26.2	175	0	0	0	0	0	114.1	N209 V712	N209-A211 PolarHBondContact O-N 2.94Å; A211-V712 HydrophobicContact CB-CB 4.48Å; A211-V712 HydrophobicContact CB-CG2 4.37Å; A211-V712 VanDerWaalsContact O-CB 3.24Å; A211-V712 WeakPolarHBondContact O-CB 3.47Å; A211-V712 WeakPolarHBondContact O-CG1 3.34Å
212	L	78.8	Confident	83.1	Confident	10 Å²	10	41.6 Å²	41.6	5%	0.052	25%	0.252	C	S	.	.	H	α-helix	trans	-105.3	-40.2	-178	-66.7	173.1	0	0	0	112.4	N209 S210 F238 T241 V260 M261 I264 N713	N209-L212 PolarHBondContact O-N 2.81Å; S210-L212 PolarHBondContact O-N 3.3Å; L212-F238 HydrophobicContact CD1-CB 3.42Å; L212-F238 VanDerWaalsContact CD1-CB 3.42Å; L212-F238 HydrophobicContact CD1-CD1 4.37Å; L212-F238 HydrophobicContact CD1-CD2 3.63Å; L212-F238 HydrophobicContact CD1-CG 3.55Å; L212-T241 HydrophobicContact CD1-CG2 4.13Å; L212-V260 HydrophobicContact CD2-CG1 3.83Å; L212-M261 HydrophobicContact CD2-CB 4.37Å; L212-I264 HydrophobicContact CD2-CD1 3.73Å; L212-N713 WeakPolarHBondContact O-CB 3.32Å
213	T	74.5	Confident	83.1	Confident	41 Å²	41	42.6 Å²	42.6	25%	0.252	26%	0.255	S	S	.	.	H	α-helix	trans	-101.8	-18.5	-173.6	59.8	0	0	0	0	113.1	N209 E215	N209-T213 HydrophobicContact CB-CG2 4.28Å; N209-T213 PolarHBondContact O-N 2.98Å; N209-T213 PolarHBondContact O-OG1 3.05Å; N209-T213 VanDerWaalsContact O-OG1 3.09Å; T213-E215 PolarHBondContact O-N 3.03Å; T213-E215 PolarHBondContact OG1-N 2.72Å
214	G	69.2	Low	83.1	Confident	7 Å²	7	45.9 Å²	45.9	7%	0.072	26%	0.262	C	S	.	.	S	Bend	trans	79.5	-6.7	-167	0	0	0	0	0	113.8	S210	S210-G214 WeakPolarHBondContact O-CA 3.47Å; S210-G214 PolarHBondContact O-N 2.99Å
215	E	72.2	Confident	83.4	Confident	38 Å²	38	45.1 Å²	45.1	18%	0.178	25%	0.246	C	C	.	.			trans	-97.8	124.4	-175.4	-65.9	-61	144.7	0	0	111.3	S210 T213 K371 T372	S210-E215 VanDerWaalsContact CA-O 3.24Å; S210-E215 WeakPolarHBondContact CA-O 3.43Å; S210-E215 PolarHBondContact N-O 2.78Å; T213-E215 PolarHBondContact O-N 3.03Å; T213-E215 PolarHBondContact OG1-N 2.72Å; E215-K371 IonicContact OE1-NZ 2.98Å; E215-T372 PolarHBondContact OE1-OG1 3.06Å
216	S	69.4	Low	83.3	Confident	58 Å²	58	47.6 Å²	47.6	41%	0.406	26%	0.264	S	S	.	.			trans	-85.2	-3.4	-178.4	57.7	0	0	0	0	114.1	P218 N378	S216-P218 WeakPolarHBondContact O-CD 3.47Å; S216-N378 PolarHBondContact OG-OD1 2.88Å
217	E	75.8	Confident	83.2	Confident	97 Å²	97	47.2 Å²	47.2	45%	0.453	27%	0.265	S	S	.	.	S	Bend	trans	-68.3	122.3	177.7	-173	173.2	-153.5	0	0	110.6	Q219 R544	E217-Q219 PolarHBondContact O-N 2.84Å; E217-Q219 VanDerWaalsContact O-N 3.16Å; E217-Q219 PolarHBondContact O-NE2 2.92Å; E217-R544 IonicContact OE1-NH1 2.69Å; E217-R544 PolarHBondContact OE1-NH1 2.77Å
218	P	82.9	Confident	83	Confident	53 Å²	53	52.5 Å²	52.5	34%	0.344	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-61.3	119.1	-179.3	-24.9	35.1	0	0	0	112.4	K206 S216 V244	K206-P218 HydrophobicContact CB-CB 4.06Å; K206-P218 HydrophobicContact CD-CB 4.25Å; S216-P218 WeakPolarHBondContact O-CD 3.47Å; P218-V244 HydrophobicContact CB-CB 4.23Å; P218-V244 HydrophobicContact CB-CG1 4.3Å; P218-V244 HydrophobicContact CB-CG2 4.39Å; P218-V244 HydrophobicContact CG-CB 4.32Å; P218-V244 HydrophobicContact CG-CG1 3.9Å; P218-V244 HydrophobicContact CG-CG2 4.4Å
219	Q	86.6	Confident	82.8	Confident	75 Å²	75	53.5 Å²	53.5	35%	0.35	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.2	-179.3	-62.3	-55.4	-48.5	0	0	110.5	K206 V207 E217 R221	K206-Q219 VanDerWaalsContact CA-O 3.31Å; K206-Q219 WeakPolarHBondContact CA-O 3.32Å; V207-Q219 PolarHBondContact N-O 3.3Å; V207-Q219 PolarHBondContact O-N 2.99Å; E217-Q219 PolarHBondContact O-N 2.84Å; E217-Q219 VanDerWaalsContact O-N 3.16Å; E217-Q219 PolarHBondContact O-NE2 2.92Å; Q219-R221 VanDerWaalsContact CB-NH2 3.32Å
220	S	90.2	Very high	82.8	Confident	64 Å²	64	53.8 Å²	53.8	45%	0.448	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	142.6	179.5	-59.7	0	0	0	0	111.5
221	R	92.1	Very high	83.1	Confident	20 Å²	20	54.2 Å²	54.2	8%	0.075	30%	0.296	C	S	.	.			trans	-122.5	139.2	-175.7	-62.2	-64.2	156.6	-176.7	-13.6	111.6	I199 F205 V207 N209 Q219 T233 K234 L236	I199-R221 HydrophobicContact CD1-CB 3.5Å; I199-R221 HydrophobicContact CD1-CG 4.02Å; F205-R221 HydrophobicContact CB-CB 4.43Å; F205-R221 HydrophobicContact CD1-CB 3.7Å; F205-R221 HydrophobicContact CD1-CG 3.96Å; F205-R221 HydrophobicContact CE1-CG 4.39Å; F205-R221 PolarHBondContact O-N 3.21Å; V207-R221 HydrophobicContact CG1-CG 4.14Å; V207-R221 HydrophobicContact CG2-CG 3.73Å; N209-R221 PolarHBondContact ND2-NH2 3.09Å; Q219-R221 VanDerWaalsContact CB-NH2 3.32Å; R221-T233 PolarHBondContact NH1-O 3.02Å; R221-K234 CarbonylContact C-O 3.55Å; R221-K234 VanDerWaalsContact CA-O 3.23Å; R221-K234 WeakPolarHBondContact CA-O 3.38Å; R221-K234 WeakPolarHBondContact CB-O 3.31Å; R221-K234 VanDerWaalsContact CD-O 3.24Å; R221-K234 WeakPolarHBondContact CD-O 3.12Å; R221-L236 VanDerWaalsContact CD-O 3.31Å; R221-L236 WeakPolarHBondContact CD-O 3.44Å; R221-L236 PolarHBondContact NH1-O 2.89Å
222	S	91.5	Very high	83.5	Confident	34 Å²	34	56.7 Å²	56.7	24%	0.238	31%	0.305	C	S	.	.			trans	-138.4	171.4	-175.6	58.1	0	0	0	0	110.8	E224 K234 N235	S222-E224 PolarHBondContact OG-O 3.35Å; S222-K234 PolarHBondContact N-O 3.28Å; S222-K234 WeakPolarHBondContact OG-CB 3.07Å; S222-N235 WeakPolarHBondContact O-CA 3.35Å; S222-N235 WeakPolarHBondContact O-CB 3.24Å
223	T	92.1	Very high	84	Confident	53 Å²	53	56.2 Å²	56.2	33%	0.325	30%	0.303	S	S	.	.	S	Bend	trans	-81.3	-25	175.9	55	0	0	0	0	112	R198 I199 I200	R198-T223 PolarHBondContact NH1-O 3.49Å; R198-T223 PolarHBondContact NH2-O 2.87Å; I199-T223 HydrophobicContact CG2-CG2 4.35Å; I200-T223 VanDerWaalsContact C-CG2 3.45Å; I200-T223 WeakPolarHBondContact O-CG2 3.16Å
224	E	89.8	Confident	84.9	Confident	147 Å²	147	59.1 Å²	59.1	69%	0.687	31%	0.312	S	S	*	.	S	Bend	trans	-77.2	135	-176.5	-62.4	179.8	176	0	0	113	S222 S226 N235	S222-E224 PolarHBondContact OG-O 3.35Å; E224-S226 PolarHBondContact O-N 3.22Å; E224-N235 WeakPolarHBondContact O-CB 3.46Å
225	F	91.4	Very high	86.1	Confident	84 Å²	84	58.8 Å²	58.8	37%	0.368	31%	0.308	S	S	.	.			trans	-60.2	128.8	167.6	167.1	-100.9	0	0	0	110.5	H38 K39 N227 E228 N235	H38-F225 AromaticContact CD2-CD2 3.79Å; H38-F225 AromaticContact CD2-CE2 3.67Å; K39-F225 HydrophobicContact CG-CD2 4.39Å; K39-F225 HydrophobicContact CG-CE2 3.9Å; F225-N227 VanDerWaalsContact CE2-C 3.42Å; F225-N227 WeakPolarHBondContact CE2-O 3.23Å; F225-E228 HydrophobicContact CZ-CG 4.36Å; F225-E228 WeakPolarHBondContact CZ-OE1 3.23Å; F225-N235 WeakPolarHBondContact CA-ND2 3.43Å; F225-N235 PolarHBondContact N-ND2 2.96Å
226	S	88.8	Confident	87.1	Confident	55 Å²	55	57 Å²	57	39%	0.385	30%	0.3	S	S	.	.			trans	-126.1	-16.4	-175.9	70.3	0	0	0	0	115.1	E224 T233 K234	E224-S226 PolarHBondContact O-N 3.22Å; S226-T233 PolarHBondContact N-OG1 3Å; S226-T233 WeakPolarHBondContact OG-CA 3.42Å; S226-K234 WeakPolarHBondContact OG-CG 3.44Å; S226-K234 PolarHBondContact OG-N 3.19Å
227	N	87.3	Confident	88.3	Confident	68 Å²	68	54.2 Å²	54.2	36%	0.364	28%	0.281	S	S	.	.			trans	-155.5	143.5	-178.7	-162.1	-51.3	0	0	0	110.5	F225 N229 E232 T233	F225-N227 VanDerWaalsContact CE2-C 3.42Å; F225-N227 WeakPolarHBondContact CE2-O 3.23Å; N227-N229 VanDerWaalsContact C-N 3.29Å; N227-N229 PolarHBondContact O-N 2.98Å; N227-N229 PolarHBondContact OD1-N 3.5Å; N227-E232 HydrophobicContact CB-CB 3.88Å; N227-T233 WeakPolarHBondContact O-CB 3.35Å
228	E	85.3	Confident	89.1	Confident	112 Å²	112	49.6 Å²	49.6	52%	0.523	26%	0.259	S	S	.	.	S	Bend	trans	-58.8	-38.8	173.2	-72	-64	145.8	0	0	112.4	H38 K39 F225 P230	H38-E228 PolarHBondContact NE2-O 2.87Å; K39-E228 WeakPolarHBondContact CE-OE2 3.27Å; K39-E228 IonicContact NZ-OE2 2.74Å; K39-E228 PolarHBondContact NZ-OE2 3.32Å; F225-E228 HydrophobicContact CZ-CG 4.36Å; F225-E228 WeakPolarHBondContact CZ-OE1 3.23Å; E228-P230 WeakPolarHBondContact O-CD 3.5Å
229	N	82	Confident	89.4	Confident	50 Å²	50	47.2 Å²	47.2	27%	0.267	24%	0.244	S	C	.	.	S	Bend	trans	-72.4	122.1	177.8	-174.3	-20.5	0	0	0	110.4	N227 L231 E232 T233	N227-N229 VanDerWaalsContact C-N 3.29Å; N227-N229 PolarHBondContact O-N 2.98Å; N227-N229 PolarHBondContact OD1-N 3.5Å; N229-L231 PolarHBondContact O-N 2.73Å; N229-L231 PolarHBondContact OD1-N 2.84Å; N229-E232 HydrophobicContact CB-CB 4.21Å; N229-E232 HydrophobicContact CB-CG 4.03Å; N229-E232 PolarHBondContact O-N 3.08Å; N229-E232 VanDerWaalsContact O-N 3.09Å; N229-T233 PolarHBondContact O-N 3.47Å; N229-T233 VanDerWaalsContact O-N 3.1Å
230	P	86	Confident	89.3	Confident	9 Å²	9	44 Å²	44	6%	0.058	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-38.3	178.9	-25.8	34.3	0	0	0	113.6	L33 M35 E228 E232 T233 L236 F238	L33-P230 HydrophobicContact CD2-CB 4.46Å; L33-P230 HydrophobicContact CD2-CG 4.47Å; M35-P230 HydrophobicContact CG-CB 3.86Å; M35-P230 HydrophobicContact CG-CG 3.51Å; M35-P230 HydrophobicContact SD-CB 3.59Å; M35-P230 VanDerWaalsContact SD-CB 3.59Å; M35-P230 HydrophobicContact SD-CG 3.95Å; E228-P230 WeakPolarHBondContact O-CD 3.5Å; P230-E232 PolarHBondContact O-N 3.34Å; P230-T233 VanDerWaalsContact O-CG2 3.25Å; P230-T233 WeakPolarHBondContact O-CG2 2.98Å; P230-L236 HydrophobicContact CB-CD1 3.94Å; P230-F238 WeakPolarHBondContact O-CZ 3.15Å
231	L	83.4	Confident	89.2	Confident	47 Å²	47	41 Å²	41	25%	0.246	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.4	-176.8	-59.5	178.7	0	0	0	112.9	N229 F238 V260	N229-L231 PolarHBondContact O-N 2.73Å; N229-L231 PolarHBondContact OD1-N 2.84Å; L231-F238 HydrophobicContact CD2-CE1 4.23Å; L231-F238 HydrophobicContact CD2-CE2 4.44Å; L231-F238 HydrophobicContact CD2-CZ 4.01Å; L231-V260 HydrophobicContact CD2-CG1 3.9Å; L231-V260 HydrophobicContact CD2-CG2 4.39Å
232	E	83.5	Confident	89	Confident	69 Å²	69	42.7 Å²	42.7	32%	0.322	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-20.4	-175.9	-61.9	-73.6	-173.4	0	0	112.9	N227 N229 P230 R685	N227-E232 HydrophobicContact CB-CB 3.88Å; N229-E232 HydrophobicContact CB-CB 4.21Å; N229-E232 HydrophobicContact CB-CG 4.03Å; N229-E232 PolarHBondContact O-N 3.08Å; N229-E232 VanDerWaalsContact O-N 3.09Å; P230-E232 PolarHBondContact O-N 3.34Å; E232-R685 IonicContact OE1-CZ 3.29Å; E232-R685 IonicContact OE1-NE 2.78Å; E232-R685 PolarHBondContact OE1-NE 3.02Å; E232-R685 IonicContact OE1-NH2 2.78Å; E232-R685 PolarHBondContact OE1-NH2 3.01Å; E232-R685 IonicContact OE2-CZ 2.77Å; E232-R685 IonicContact OE2-NH2 3.45Å; E232-R685 PolarHBondContact OE2-NH2 3.19Å
233	T	90.2	Very high	89	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.			trans	-68.7	141	-179.4	-172.1	0	0	0	0	111.3	H38 R221 S226 N227 N229 P230 N235 L236	H38-T233 HydrophobicContact CB-CG2 4.01Å; R221-T233 PolarHBondContact NH1-O 3.02Å; S226-T233 PolarHBondContact N-OG1 3Å; S226-T233 WeakPolarHBondContact OG-CA 3.42Å; N227-T233 WeakPolarHBondContact O-CB 3.35Å; N229-T233 PolarHBondContact O-N 3.47Å; N229-T233 VanDerWaalsContact O-N 3.1Å; P230-T233 VanDerWaalsContact O-CG2 3.25Å; P230-T233 WeakPolarHBondContact O-CG2 2.98Å; T233-N235 WeakPolarHBondContact CB-OD1 3.45Å; T233-N235 WeakPolarHBondContact CG2-OD1 3.41Å; T233-N235 PolarHBondContact O-N 2.93Å; T233-N235 PolarHBondContact OG1-OD1 2.95Å; T233-L236 HydrophobicContact CG2-CB 4.27Å; T233-L236 HydrophobicContact CG2-CD1 3.83Å; T233-L236 HydrophobicContact CG2-CG 3.81Å
234	K	92.3	Very high	88.7	Confident	101 Å²	101	41.3 Å²	41.3	44%	0.439	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.9	-178.1	-68.9	177.3	-177.2	175.5	0	113.5	R221 S222 S226	R221-K234 CarbonylContact C-O 3.55Å; R221-K234 VanDerWaalsContact CA-O 3.23Å; R221-K234 WeakPolarHBondContact CA-O 3.38Å; R221-K234 WeakPolarHBondContact CB-O 3.31Å; R221-K234 VanDerWaalsContact CD-O 3.24Å; R221-K234 WeakPolarHBondContact CD-O 3.12Å; S222-K234 PolarHBondContact N-O 3.28Å; S222-K234 WeakPolarHBondContact OG-CB 3.07Å; S226-K234 WeakPolarHBondContact OG-CG 3.44Å; S226-K234 PolarHBondContact OG-N 3.19Å
235	N	94.6	Very high	88.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	8.2	-166.6	78.4	-20.7	0	0	0	114.7	H38 R198 I199 S222 E224 F225 T233	H38-N235 WeakPolarHBondContact CB-OD1 3.48Å; H38-N235 PolarHBondContact O-ND2 2.86Å; R198-N235 WeakPolarHBondContact CD-O 3.32Å; R198-N235 VanDerWaalsContact CZ-CG 3.49Å; R198-N235 PolarHBondContact NE-ND2 3.05Å; R198-N235 PolarHBondContact NH1-ND2 3.2Å; R198-N235 PolarHBondContact NH1-O 3.1Å; R198-N235 PolarHBondContact NH2-ND2 3.15Å; I199-N235 PolarHBondContact N-O 3.04Å; S222-N235 WeakPolarHBondContact O-CA 3.35Å; S222-N235 WeakPolarHBondContact O-CB 3.24Å; E224-N235 WeakPolarHBondContact O-CB 3.46Å; F225-N235 WeakPolarHBondContact CA-ND2 3.43Å; F225-N235 PolarHBondContact N-ND2 2.96Å; T233-N235 WeakPolarHBondContact CB-OD1 3.45Å; T233-N235 WeakPolarHBondContact CG2-OD1 3.41Å; T233-N235 PolarHBondContact O-N 2.93Å; T233-N235 PolarHBondContact OG1-OD1 2.95Å
236	L	94.4	Very high	88.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.6	169.6	-63.9	-179.4	0	0	0	110.5	M35 H38 I197 R198 R221 P230 T233 F238 I253	M35-L236 HydrophobicContact SD-CD1 3.73Å; H38-L236 HydrophobicContact CB-CD1 3.91Å; H38-L236 HydrophobicContact CB-CD2 4.1Å; H38-L236 HydrophobicContact CB-CG 3.92Å; I197-L236 WeakPolarHBondContact O-CA 3.31Å; R198-L236 HydrophobicContact CB-CD2 4.06Å; R221-L236 VanDerWaalsContact CD-O 3.31Å; R221-L236 WeakPolarHBondContact CD-O 3.44Å; R221-L236 PolarHBondContact NH1-O 2.89Å; P230-L236 HydrophobicContact CB-CD1 3.94Å; T233-L236 HydrophobicContact CG2-CB 4.27Å; T233-L236 HydrophobicContact CG2-CD1 3.83Å; T233-L236 HydrophobicContact CG2-CG 3.81Å; L236-F238 HydrophobicContact CB-CE1 4.24Å; L236-F238 HydrophobicContact CB-CE2 4.4Å; L236-F238 HydrophobicContact CB-CZ 3.9Å; L236-F238 HydrophobicContact CD1-CE1 4.2Å; L236-F238 HydrophobicContact CD1-CZ 4.14Å; L236-I253 HydrophobicContact CD2-CD1 3.55Å
237	A	93.6	Very high	88.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.8	162.4	0	0	0	0	0	109	I193 I197 I199 V207	I193-A237 HydrophobicContact CD1-CB 4.21Å; I193-A237 HydrophobicContact CG1-CB 4.25Å; I193-A237 HydrophobicContact CG2-CB 4.39Å; I197-A237 HydrophobicContact CD1-CB 4.12Å; I197-A237 HydrophobicContact CG1-CB 3.76Å; I197-A237 PolarHBondContact N-O 3.18Å; I197-A237 PolarHBondContact O-N 3.32Å; I199-A237 HydrophobicContact CD1-CB 4.34Å; V207-A237 HydrophobicContact CG1-CB 4.4Å
238	F	92.4	Very high	88.8	Confident	1 Å²	1	32.2 Å²	32.2	0%	0.004	17%	0.171	C	C	.	.			trans	-112.5	150.1	-164	-59.8	-75.7	0	0	0	112.8	I193 D196 L212 P230 L231 L236 S240 T241 V260	I193-F238 WeakPolarHBondContact CB-O 3.21Å; I193-F238 VanDerWaalsContact CG2-O 3.32Å; I193-F238 WeakPolarHBondContact CG2-O 3.13Å; D196-F238 VanDerWaalsContact OD1-CA 3.28Å; D196-F238 WeakPolarHBondContact OD1-CA 3.37Å; L212-F238 HydrophobicContact CD1-CB 3.42Å; L212-F238 VanDerWaalsContact CD1-CB 3.42Å; L212-F238 HydrophobicContact CD1-CD1 4.37Å; L212-F238 HydrophobicContact CD1-CD2 3.63Å; L212-F238 HydrophobicContact CD1-CG 3.55Å; P230-F238 WeakPolarHBondContact O-CZ 3.15Å; L231-F238 HydrophobicContact CD2-CE1 4.23Å; L231-F238 HydrophobicContact CD2-CE2 4.44Å; L231-F238 HydrophobicContact CD2-CZ 4.01Å; L236-F238 HydrophobicContact CB-CE1 4.24Å; L236-F238 HydrophobicContact CB-CE2 4.4Å; L236-F238 HydrophobicContact CB-CZ 3.9Å; L236-F238 HydrophobicContact CD1-CE1 4.2Å; L236-F238 HydrophobicContact CD1-CZ 4.14Å; F238-S240 PolarHBondContact O-N 2.68Å; F238-T241 HydrophobicContact CB-CG2 3.99Å; F238-T241 WeakPolarHBondContact O-CB 3.48Å; F238-T241 WeakPolarHBondContact O-CG2 3.42Å; F238-T241 PolarHBondContact O-N 2.66Å; F238-T241 VanDerWaalsContact O-N 3.15Å; F238-T241 PolarHBondContact O-OG1 2.77Å; F238-V260 HydrophobicContact CD1-CB 4.21Å; F238-V260 HydrophobicContact CD1-CG2 3.73Å; F238-V260 HydrophobicContact CE1-CG2 3.82Å
239	F	89.9	Confident	89.2	Confident	3 Å²	3	31.2 Å²	31.2	1%	0.013	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	138.6	173.5	179.8	-122.5	0	0	0	111.7	L74 V159 P194 D196 T241 T259 M261	L74-F239 HydrophobicContact CD1-CE1 4.32Å; L74-F239 HydrophobicContact CD2-CE1 4.36Å; L74-F239 HydrophobicContact CG-CE1 4.36Å; V159-F239 HydrophobicContact CB-CZ 4.19Å; V159-F239 HydrophobicContact CG1-CE2 4.21Å; V159-F239 HydrophobicContact CG1-CZ 4.13Å; V159-F239 HydrophobicContact CG2-CZ 3.89Å; P194-F239 VanDerWaalsContact O-CD2 3.23Å; P194-F239 WeakPolarHBondContact O-CD2 3.4Å; P194-F239 WeakPolarHBondContact O-CE2 3.24Å; D196-F239 PolarHBondContact OD1-N 2.96Å; F239-T241 PolarHBondContact O-N 2.98Å; F239-T259 HydrophobicContact CB-CG2 3.87Å; F239-T259 HydrophobicContact CD1-CG2 4.46Å; F239-T259 HydrophobicContact CG-CG2 4.23Å; F239-M261 HydrophobicContact CD1-CB 3.93Å; F239-M261 HydrophobicContact CD1-CG 4.14Å
240	S	85	Confident	89.8	Confident	8 Å²	8	28.8 Å²	28.8	6%	0.056	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	4.7	-176.5	86.9	0	0	0	0	117.5	I193 F238 M261	I193-S240 PolarHBondContact O-N 2.74Å; F238-S240 PolarHBondContact O-N 2.68Å; S240-M261 WeakPolarHBondContact OG-CG 3.42Å
241	T	88.7	Confident	90.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.147	C	C	.	.			trans	-80.3	155.1	169.6	63.8	0	0	0	0	110.8	R192 I193 D208 N209 L212 F238 F239	R192-T241 WeakPolarHBondContact CA-O 3.27Å; I193-T241 WeakPolarHBondContact CG1-O 3.04Å; I193-T241 WeakPolarHBondContact CG1-OG1 3.28Å; I193-T241 PolarHBondContact N-O 2.92Å; D208-T241 VanDerWaalsContact O-CB 3.28Å; D208-T241 WeakPolarHBondContact O-CB 3.46Å; N209-T241 WeakPolarHBondContact OD1-CG2 3.03Å; L212-T241 HydrophobicContact CD1-CG2 4.13Å; F238-T241 HydrophobicContact CB-CG2 3.99Å; F238-T241 WeakPolarHBondContact O-CB 3.48Å; F238-T241 WeakPolarHBondContact O-CG2 3.42Å; F238-T241 PolarHBondContact O-N 2.66Å; F238-T241 VanDerWaalsContact O-N 3.15Å; F238-T241 PolarHBondContact O-OG1 2.77Å; F239-T241 PolarHBondContact O-N 2.98Å
242	N	87.8	Confident	90.9	Very high	54 Å²	54	26.1 Å²	26.1	29%	0.289	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.6	-178.5	-60.5	-53.8	0	0	0	110.4	R192 V207 D208 V244	R192-N242 WeakPolarHBondContact CG-OD1 3.39Å; R192-N242 PolarHBondContact NE-OD1 3.41Å; V207-N242 CarbonylContact C-O 3.55Å; V207-N242 VanDerWaalsContact CA-O 3.26Å; V207-N242 WeakPolarHBondContact CA-O 3.47Å; D208-N242 HydrophobicContact CB-CB 4.45Å; D208-N242 PolarHBondContact N-O 3.14Å; N242-V244 PolarHBondContact O-N 3.48Å
243	A	90	Very high	91.4	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.025	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	113	169	0	0	0	0	0	110.5	V187 K188 G190 D191 F205	V187-A243 HydrophobicContact CG1-CB 3.78Å; K188-A243 VanDerWaalsContact O-CB 3.31Å; K188-A243 WeakPolarHBondContact O-CB 3.5Å; G190-A243 PolarHBondContact N-O 2.7Å; D191-A243 WeakPolarHBondContact O-CB 3.32Å; D191-A243 PolarHBondContact O-N 3.13Å; F205-A243 HydrophobicContact CE2-CB 3.56Å; F205-A243 HydrophobicContact CZ-CB 3.79Å
244	V	86.8	Confident	91.5	Very high	55 Å²	55	24.6 Å²	24.6	33%	0.333	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-20.5	-176.1	-169.7	0	0	0	0	112.2	F189 K206 D208 P218 N242	F189-V244 VanDerWaalsContact CD2-C 3.42Å; F189-V244 WeakPolarHBondContact CD2-O 3.5Å; F189-V244 WeakPolarHBondContact CE2-O 3.39Å; K206-V244 PolarHBondContact O-N 2.97Å; D208-V244 HydrophobicContact CB-CG2 3.52Å; P218-V244 HydrophobicContact CB-CB 4.23Å; P218-V244 HydrophobicContact CB-CG1 4.3Å; P218-V244 HydrophobicContact CB-CG2 4.39Å; P218-V244 HydrophobicContact CG-CB 4.32Å; P218-V244 HydrophobicContact CG-CG1 3.9Å; P218-V244 HydrophobicContact CG-CG2 4.4Å; N242-V244 PolarHBondContact O-N 3.48Å
245	D	86.3	Confident	91.6	Very high	73 Å²	73	20 Å²	20	39%	0.39	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	158.7	177	-157.2	-2.9	0	0	0	110.9	F205 K206	F205-D245 WeakPolarHBondContact CA-O 3.47Å; F205-D245 VanDerWaalsContact CD2-O 3.24Å; F205-D245 WeakPolarHBondContact CD2-O 3.28Å; K206-D245 HydrophobicContact CB-CB 3.97Å; K206-D245 HydrophobicContact CD-CB 4.13Å; K206-D245 HydrophobicContact CG-CB 4.16Å; K206-D245 PolarHBondContact N-O 3.46Å; K206-D245 PolarHBondContact O-N 2.82Å
246	G	86.6	Confident	91.3	Very high	15 Å²	15	20.1 Å²	20.1	16%	0.155	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.3	-162.4	172.8	0	0	0	0	0	115.7	F189 S203	F189-G246 PolarHBondContact N-O 2.85Å; F189-G246 VanDerWaalsContact N-O 3.13Å; S203-G246 VanDerWaalsContact O-CA 3.24Å; S203-G246 WeakPolarHBondContact O-CA 3.34Å
247	T	92.7	Very high	91	Very high	71 Å²	71	22.4 Å²	22.4	44%	0.436	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.6	177	59.7	0	0	0	0	110.7	V187 K188 S203	V187-T247 WeakPolarHBondContact O-CA 3.26Å; K188-T247 HydrophobicContact CB-CG2 4.15Å; S203-T247 PolarHBondContact N-O 2.91Å; S203-T247 PolarHBondContact O-N 2.96Å; S203-T247 VanDerWaalsContact O-N 3.13Å
248	C	93.6	Very high	90.8	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.027	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	161.9	172.3	77.6	0	0	0	0	113.1	E186 V187 I199 T201 A202 F205	E186-C248 WeakPolarHBondContact CA-O 3.46Å; V187-C248 PolarHBondContact N-O 3Å; V187-C248 PolarHBondContact O-N 2.88Å; I199-C248 HydrophobicContact CG2-CB 4.43Å; T201-C248 CarbonylContact O-C 3.51Å; T201-C248 VanDerWaalsContact O-CA 3.23Å; T201-C248 WeakPolarHBondContact O-CA 3.32Å; T201-C248 WeakPolarHBondContact O-CB 3.12Å; A202-C248 HydrophobicContact CB-CB 4.26Å; F205-C248 HydrophobicContact CB-CB 4.13Å; F205-C248 HydrophobicContact CD1-CB 3.57Å; F205-C248 VanDerWaalsContact CD1-SG 3.6Å; F205-C248 HydrophobicContact CD2-CB 3.98Å; F205-C248 HydrophobicContact CE1-CB 3.92Å; F205-C248 WeakPolarHBondContact CE1-SG 3.32Å; F205-C248 HydrophobicContact CE2-CB 4.26Å; F205-C248 HydrophobicContact CG-CB 3.63Å; F205-C248 HydrophobicContact CZ-CB 4.26Å; F205-C248 WeakPolarHBondContact CZ-SG 3.3Å
249	R	94.4	Very high	90.7	Very high	91 Å²	91	27.6 Å²	27.6	34%	0.343	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.8	161.4	-63.5	-178.9	173.9	171.8	1.2	109	V185 E186 I200 T201	V185-R249 VanDerWaalsContact O-CA 3.31Å; V185-R249 WeakPolarHBondContact O-CA 3.45Å; E186-R249 HydrophobicContact CB-CG 4.29Å; E186-R249 HydrophobicContact CG-CG 4.14Å; E186-R249 IonicContact OE2-CZ 3.8Å; E186-R249 IonicContact OE2-NE 3.89Å; E186-R249 PolarHBondContact OE2-NE 2.66Å; E186-R249 IonicContact OE2-NH2 3.95Å; E186-R249 PolarHBondContact OE2-NH2 3.05Å; I200-R249 PolarHBondContact N-O 2.99Å; T201-R249 PolarHBondContact N-O 2.9Å; T201-R249 PolarHBondContact O-N 3.36Å; T201-R249 WeakPolarHBondContact OG1-CB 3.44Å
250	G	94.3	Very high	90.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	152.2	176.8	0	0	0	0	0	112.7	I184 V185 R198	I184-G250 WeakPolarHBondContact CA-O 3.49Å; V185-G250 PolarHBondContact N-O 2.82Å; V185-G250 PolarHBondContact O-N 2.97Å; R198-G250 CarbonylContact O-C 3.59Å; R198-G250 WeakPolarHBondContact O-CA 3.33Å
251	I	95.4	Very high	90.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	134.6	172.9	-173.3	163.3	0	0	0	109.8	L45 Y46 L49 T51 D183 I197 R198 I200 I253	L45-I251 HydrophobicContact CD2-CG2 3.58Å; L45-I251 HydrophobicContact CG-CG2 4.34Å; Y46-I251 HydrophobicContact CD1-CD1 4.23Å; L49-I251 HydrophobicContact CB-CD1 4.13Å; L49-I251 HydrophobicContact CD1-CD1 3.6Å; L49-I251 HydrophobicContact CD1-CG1 3.85Å; L49-I251 HydrophobicContact CG-CD1 4.47Å; T51-I251 HydrophobicContact CG2-CD1 3.7Å; T51-I251 HydrophobicContact CG2-CG1 4.5Å; D183-I251 CarbonylContact O-C 3.59Å; D183-I251 WeakPolarHBondContact O-CA 3.34Å; I197-I251 CarbonylContact C-O 3.51Å; I197-I251 VanDerWaalsContact CA-O 3.24Å; I197-I251 WeakPolarHBondContact CA-O 3.42Å; R198-I251 HydrophobicContact CB-CG2 3.77Å; R198-I251 HydrophobicContact CG-CG2 4.33Å; R198-I251 PolarHBondContact N-O 3.2Å; R198-I251 PolarHBondContact O-N 3.37Å; I200-I251 HydrophobicContact CD1-CB 4.1Å; I251-I253 PolarHBondContact O-N 3.06Å
252	V	95.7	Very high	90.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	121.8	179	178.8	0	0	0	0	109.7	I179 G182 D183 V185 A195 D196 I197 T255	I179-V252 HydrophobicContact CG2-CB 4.36Å; I179-V252 HydrophobicContact CG2-CG1 4.07Å; I179-V252 HydrophobicContact CG2-CG2 3.68Å; G182-V252 PolarHBondContact N-O 2.82Å; D183-V252 HydrophobicContact CB-CG2 4.1Å; D183-V252 WeakPolarHBondContact O-CG2 3.16Å; D183-V252 PolarHBondContact O-N 3.41Å; V185-V252 HydrophobicContact CG2-CG2 3.45Å; V185-V252 VanDerWaalsContact CG2-CG2 3.45Å; A195-V252 HydrophobicContact CB-CG1 3.72Å; A195-V252 HydrophobicContact CB-CG2 4.3Å; D196-V252 WeakPolarHBondContact O-CA 3.45Å; I197-V252 HydrophobicContact CG2-CG2 3.98Å; V252-T255 HydrophobicContact CG1-CG2 3.59Å
253	I	94.7	Very high	90.6	Very high	14 Å²	14	26.4 Å²	26.4	7%	0.072	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-34.8	179.8	62.8	-167.8	0	0	0	112	M35 E37 L49 D196 R198 L236 I251	M35-I253 HydrophobicContact CE-CD1 3.44Å; M35-I253 VanDerWaalsContact CE-CD1 3.44Å; M35-I253 HydrophobicContact CE-CG1 4.19Å; E37-I253 HydrophobicContact CB-CG2 4.29Å; E37-I253 HydrophobicContact CG-CG2 4.49Å; L49-I253 HydrophobicContact CD1-CG2 4.47Å; D196-I253 HydrophobicContact CB-CD1 4.35Å; D196-I253 HydrophobicContact CB-CG1 3.92Å; D196-I253 WeakPolarHBondContact O-CG1 3.35Å; D196-I253 PolarHBondContact O-N 2.96Å; R198-I253 HydrophobicContact CB-CG2 3.79Å; L236-I253 HydrophobicContact CD2-CD1 3.55Å; I251-I253 PolarHBondContact O-N 3.06Å
254	S	93.2	Very high	90.3	Very high	22 Å²	22	26.3 Å²	26.3	15%	0.154	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.5	179.1	-62.2	0	0	0	0	111.4	A195 D196 T259	A195-S254 WeakPolarHBondContact CB-O 3.4Å; D196-S254 PolarHBondContact N-O 3.29Å; S254-T259 WeakPolarHBondContact O-CG2 3.45Å
255	T	93.4	Very high	90.1	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.031	12%	0.119	C	C	.	.			trans	-127	150.5	178.8	58.2	0	0	0	0	111.9	N72 I179 V181 A195 V252 D257 R258	N72-T255 HydrophobicContact CB-CG2 4.26Å; N72-T255 WeakPolarHBondContact OD1-CA 3.34Å; I179-T255 HydrophobicContact CG2-CG2 4.38Å; V181-T255 HydrophobicContact CG2-CG2 4.02Å; A195-T255 HydrophobicContact CB-CG2 4.5Å; V252-T255 HydrophobicContact CG1-CG2 3.59Å; T255-D257 PolarHBondContact O-N 2.87Å; T255-R258 PolarHBondContact O-N 2.99Å; T255-R258 PolarHBondContact OG1-NH2 3.15Å
256	G	89.1	Confident	89.9	Confident	3 Å²	3	22 Å²	22	3%	0.031	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	56	-129.8	175	0	0	0	0	0	113.4	N72 A73 R258 T259	N72-G256 PolarHBondContact OD1-N 3.49Å; A73-G256 WeakPolarHBondContact O-CA 3.45Å; G256-R258 PolarHBondContact O-N 3.32Å; G256-R258 VanDerWaalsContact O-N 3.13Å; G256-T259 WeakPolarHBondContact O-CB 3.18Å; G256-T259 WeakPolarHBondContact O-CG2 3.37Å; G256-T259 PolarHBondContact O-N 3.23Å; G256-T259 VanDerWaalsContact O-N 3.11Å; G256-T259 PolarHBondContact O-OG1 3.31Å
257	D	87.2	Confident	89.8	Confident	48 Å²	48	21.3 Å²	21.3	26%	0.257	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-59	-21.6	-179.5	-69.1	-30.9	0	0	0	114.6	T75 T255 G262 R263 N266	T75-D257 WeakPolarHBondContact CB-OD2 3.48Å; T75-D257 PolarHBondContact N-OD1 3.47Å; T75-D257 PolarHBondContact OG1-OD2 2.95Å; T255-D257 PolarHBondContact O-N 2.87Å; D257-G262 CarbonylContact O-C 3.59Å; D257-R263 PolarHBondContact O-N 2.83Å; D257-N266 WeakPolarHBondContact CB-ND2 3.45Å; D257-N266 PolarHBondContact OD1-ND2 2.98Å
258	R	89.5	Confident	89.3	Confident	110 Å²	110	18 Å²	18	42%	0.415	8%	0.082	S	C	.	.	G	3₁₀ helix	trans	-83.5	-11.6	-179.9	-63	176.9	-68.5	-177.1	4.4	113.3	D69 T255 G256	D69-R258 IonicContact OD1-NH1 2.73Å; D69-R258 IonicContact OD2-NH1 3.83Å; D69-R258 IonicContact OD2-NH2 2.62Å; D69-R258 PolarHBondContact OD2-NH2 3.07Å; T255-R258 PolarHBondContact O-N 2.99Å; T255-R258 PolarHBondContact OG1-NH2 3.15Å; G256-R258 PolarHBondContact O-N 3.32Å; G256-R258 VanDerWaalsContact O-N 3.13Å
259	T	90.5	Very high	88.6	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-66.5	157.9	173.6	61.4	0	0	0	0	110.6	D196 F239 S254 G256 M261 G262 R263	D196-T259 WeakPolarHBondContact OD2-CA 3.35Å; D196-T259 WeakPolarHBondContact OD2-CB 3.4Å; F239-T259 HydrophobicContact CB-CG2 3.87Å; F239-T259 HydrophobicContact CD1-CG2 4.46Å; F239-T259 HydrophobicContact CG-CG2 4.23Å; S254-T259 WeakPolarHBondContact O-CG2 3.45Å; G256-T259 WeakPolarHBondContact O-CB 3.18Å; G256-T259 WeakPolarHBondContact O-CG2 3.37Å; G256-T259 PolarHBondContact O-N 3.23Å; G256-T259 VanDerWaalsContact O-N 3.11Å; G256-T259 PolarHBondContact O-OG1 3.31Å; T259-M261 VanDerWaalsContact C-N 3.26Å; T259-M261 PolarHBondContact O-N 3.45Å; T259-G262 WeakPolarHBondContact O-CA 3.2Å; T259-G262 PolarHBondContact O-N 3.34Å; T259-G262 VanDerWaalsContact O-N 3.07Å; T259-G262 WeakPolarHBondContact OG1-CA 3.43Å; T259-G262 PolarHBondContact OG1-N 2.84Å; T259-R263 WeakPolarHBondContact O-CG 3.23Å; T259-R263 PolarHBondContact O-N 3.41Å
260	V	88.7	Confident	87.7	Confident	9 Å²	9	16.5 Å²	16.5	6%	0.055	9%	0.091	C	C	.	.	H	α-helix	trans	-53.4	-47.9	176	175.3	0	0	0	0	110.7	L33 D196 L212 L231 F238 R263 I264	L33-V260 HydrophobicContact CD1-CG2 4.25Å; L33-V260 HydrophobicContact CD2-CG2 4.24Å; D196-V260 PolarHBondContact OD2-N 2.89Å; L212-V260 HydrophobicContact CD2-CG1 3.83Å; L231-V260 HydrophobicContact CD2-CG1 3.9Å; L231-V260 HydrophobicContact CD2-CG2 4.39Å; F238-V260 HydrophobicContact CD1-CB 4.21Å; F238-V260 HydrophobicContact CD1-CG2 3.73Å; F238-V260 HydrophobicContact CE1-CG2 3.82Å; V260-R263 PolarHBondContact O-N 3.39Å; V260-I264 HydrophobicContact CG1-CD1 4.24Å; V260-I264 WeakPolarHBondContact O-CG1 3.47Å; V260-I264 PolarHBondContact O-N 3.25Å; V260-I264 VanDerWaalsContact O-N 3.11Å
261	M	86.6	Confident	87.1	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-69.9	-33.4	178.9	179.2	60.2	-179.2	0	0	112.4	F155 L158 L212 F239 S240 T259 I264 A265 V712	F155-M261 HydrophobicContact CD1-CE 3.55Å; F155-M261 HydrophobicContact CE1-CE 3.37Å; F155-M261 HydrophobicContact CE1-SD 4.47Å; L158-M261 HydrophobicContact CD1-CE 3.68Å; L212-M261 HydrophobicContact CD2-CB 4.37Å; F239-M261 HydrophobicContact CD1-CB 3.93Å; F239-M261 HydrophobicContact CD1-CG 4.14Å; S240-M261 WeakPolarHBondContact OG-CG 3.42Å; T259-M261 VanDerWaalsContact C-N 3.26Å; T259-M261 PolarHBondContact O-N 3.45Å; M261-I264 PolarHBondContact O-N 2.62Å; M261-A265 WeakPolarHBondContact O-CB 3.48Å; M261-A265 PolarHBondContact O-N 3.29Å; M261-V712 HydrophobicContact CE-CG1 3.23Å; M261-V712 HydrophobicContact SD-CG1 3.55Å; M261-V712 VanDerWaalsContact SD-CG1 3.55Å
262	G	87	Confident	86	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-39	172.5	0	0	0	0	0	113.2	L74 D257 T259 A265 N266	L74-G262 VanDerWaalsContact CD2-CA 3.42Å; D257-G262 CarbonylContact O-C 3.59Å; T259-G262 WeakPolarHBondContact O-CA 3.2Å; T259-G262 PolarHBondContact O-N 3.34Å; T259-G262 VanDerWaalsContact O-N 3.07Å; T259-G262 WeakPolarHBondContact OG1-CA 3.43Å; T259-G262 PolarHBondContact OG1-N 2.84Å; G262-A265 PolarHBondContact O-N 2.95Å; G262-N266 WeakPolarHBondContact O-CB 3.3Å; G262-N266 PolarHBondContact O-N 2.72Å; G262-N266 PolarHBondContact O-ND2 3.04Å
263	R	87	Confident	84.7	Confident	31 Å²	31	29.1 Å²	29.1	12%	0.117	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-43.6	172.1	-69	-176.4	71.8	-160.5	-1.3	111.5	D28 L29 Q31 D257 T259 V260 N266 L267	D28-R263 PolarHBondContact O-NH2 2.83Å; L29-R263 HydrophobicContact CD2-CB 4.02Å; L29-R263 HydrophobicContact CD2-CG 3.98Å; Q31-R263 PolarHBondContact O-NH2 2.96Å; D257-R263 PolarHBondContact O-N 2.83Å; T259-R263 WeakPolarHBondContact O-CG 3.23Å; T259-R263 PolarHBondContact O-N 3.41Å; V260-R263 PolarHBondContact O-N 3.39Å; R263-N266 PolarHBondContact O-N 2.97Å; R263-L267 WeakPolarHBondContact O-CB 3.09Å; R263-L267 PolarHBondContact O-N 3.31Å
264	I	84	Confident	83.7	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-43.5	175.9	-65.2	165.4	0	0	0	110.9	L212 V260 M261 L267 A268 P688 P716	L212-I264 HydrophobicContact CD2-CD1 3.73Å; V260-I264 HydrophobicContact CG1-CD1 4.24Å; V260-I264 WeakPolarHBondContact O-CG1 3.47Å; V260-I264 PolarHBondContact O-N 3.25Å; V260-I264 VanDerWaalsContact O-N 3.11Å; M261-I264 PolarHBondContact O-N 2.62Å; I264-L267 PolarHBondContact O-N 2.75Å; I264-A268 WeakPolarHBondContact O-CB 3.33Å; I264-A268 PolarHBondContact O-N 2.64Å; I264-P688 HydrophobicContact CD1-CB 4.26Å; I264-P688 HydrophobicContact CD1-CG 3.88Å; I264-P688 HydrophobicContact CG1-CB 4.4Å; I264-P716 HydrophobicContact CG2-CG 4.01Å
265	A	82.5	Confident	83.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-41.3	177.9	0	0	0	0	0	112.4	L74 F155 M261 G262 S269	L74-A265 HydrophobicContact CD1-CB 4.03Å; F155-A265 HydrophobicContact CD1-CB 3.54Å; F155-A265 HydrophobicContact CE1-CB 3.42Å; F155-A265 VanDerWaalsContact CE1-CB 3.42Å; F155-A265 HydrophobicContact CE2-CB 4.46Å; F155-A265 HydrophobicContact CG-CB 4.12Å; F155-A265 HydrophobicContact CZ-CB 3.91Å; M261-A265 WeakPolarHBondContact O-CB 3.48Å; M261-A265 PolarHBondContact O-N 3.29Å; G262-A265 PolarHBondContact O-N 2.95Å; A265-S269 VanDerWaalsContact O-CB 3.3Å; A265-S269 WeakPolarHBondContact O-CB 3.22Å; A265-S269 PolarHBondContact O-N 2.9Å; A265-S269 PolarHBondContact O-OG 3.05Å
266	N	82.6	Confident	82.8	Confident	37 Å²	37	35.7 Å²	35.7	20%	0.198	20%	0.199	C	C	.	.	H	α-helix	trans	-70.1	-35.7	176.1	-77.3	-38.2	0	0	0	112.4	L29 D257 G262 R263 S269 G270	L29-N266 HydrophobicContact CD1-CB 4.03Å; D257-N266 WeakPolarHBondContact CB-ND2 3.45Å; D257-N266 PolarHBondContact OD1-ND2 2.98Å; G262-N266 WeakPolarHBondContact O-CB 3.3Å; G262-N266 PolarHBondContact O-N 2.72Å; G262-N266 PolarHBondContact O-ND2 3.04Å; R263-N266 PolarHBondContact O-N 2.97Å; N266-S269 PolarHBondContact O-OG 2.96Å; N266-G270 WeakPolarHBondContact O-CA 3.25Å; N266-G270 PolarHBondContact O-N 2.94Å
267	L	84.4	Confident	82.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-54.3	171.3	-176.8	62.5	0	0	0	110.4	L26 L29 K30 R263 I264 S269 G270 L271 Q689 L692 P716	L26-L267 HydrophobicContact CG-CD1 4.41Å; L29-L267 HydrophobicContact CB-CB 4.48Å; L29-L267 HydrophobicContact CB-CD1 4.22Å; K30-L267 HydrophobicContact CG-CD1 3.89Å; R263-L267 WeakPolarHBondContact O-CB 3.09Å; R263-L267 PolarHBondContact O-N 3.31Å; I264-L267 PolarHBondContact O-N 2.75Å; L267-S269 VanDerWaalsContact C-N 3.28Å; L267-S269 PolarHBondContact O-N 2.79Å; L267-G270 PolarHBondContact O-N 3.3Å; L267-L271 HydrophobicContact CD1-CG 4.45Å; L267-L271 HydrophobicContact CG-CD1 4.39Å; L267-L271 WeakPolarHBondContact O-CG 3.41Å; L267-L271 PolarHBondContact O-N 3.03Å; L267-L271 VanDerWaalsContact O-N 3.07Å; L267-Q689 HydrophobicContact CD2-CG 4.07Å; L267-L692 HydrophobicContact CD1-CD2 3.95Å; L267-L692 HydrophobicContact CD2-CD2 3.89Å; L267-L692 HydrophobicContact CG-CD2 4.12Å; L267-P716 HydrophobicContact CD2-CB 4.02Å; L267-P716 HydrophobicContact CD2-CG 4.2Å; L267-P716 HydrophobicContact CG-CB 4.24Å
268	A	81.8	Confident	82.9	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-32.3	-179.2	0	0	0	0	0	113.4	I264 P716 K719	I264-A268 WeakPolarHBondContact O-CB 3.33Å; I264-A268 PolarHBondContact O-N 2.64Å; A268-P716 HydrophobicContact CB-CG 4.43Å; A268-K719 WeakPolarHBondContact O-CG 3.34Å
269	S	78.7	Confident	82.7	Confident	27 Å²	27	30.7 Å²	30.7	19%	0.189	18%	0.178	C	C	.	.	H	α-helix	trans	-87.9	-25.2	178	62.5	0	0	0	0	114.1	A265 N266 L267	A265-S269 VanDerWaalsContact O-CB 3.3Å; A265-S269 WeakPolarHBondContact O-CB 3.22Å; A265-S269 PolarHBondContact O-N 2.9Å; A265-S269 PolarHBondContact O-OG 3.05Å; N266-S269 PolarHBondContact O-OG 2.96Å; L267-S269 VanDerWaalsContact C-N 3.28Å; L267-S269 PolarHBondContact O-N 2.79Å
270	G	75.8	Confident	82.6	Confident	37 Å²	37	34.9 Å²	34.9	38%	0.381	20%	0.196	S	C	.	.	H	α-helix	trans	-83.8	-20.1	179.5	0	0	0	0	0	114.2	N266 L267 E272	N266-G270 WeakPolarHBondContact O-CA 3.25Å; N266-G270 PolarHBondContact O-N 2.94Å; L267-G270 PolarHBondContact O-N 3.3Å; G270-E272 PolarHBondContact O-N 3.29Å
271	L	80.8	Confident	82.7	Confident	9 Å²	9	34.6 Å²	34.6	5%	0.047	19%	0.194	C	C	.	.	S	Bend	trans	-62.2	123.5	174.6	-72.9	162.8	0	0	0	110.7	L26 L267 L273 L692 P716 K719 Q720	L26-L271 HydrophobicContact CD2-CD2 3.94Å; L267-L271 HydrophobicContact CD1-CG 4.45Å; L267-L271 HydrophobicContact CG-CD1 4.39Å; L267-L271 WeakPolarHBondContact O-CG 3.41Å; L267-L271 PolarHBondContact O-N 3.03Å; L267-L271 VanDerWaalsContact O-N 3.07Å; L271-L273 PolarHBondContact O-N 3.28Å; L271-L692 HydrophobicContact CD1-CD1 3.9Å; L271-L692 HydrophobicContact CD1-CD2 4.12Å; L271-L692 HydrophobicContact CD2-CD1 4.27Å; L271-L692 HydrophobicContact CD2-CD2 4.22Å; L271-P716 HydrophobicContact CD1-CB 4.24Å; L271-K719 HydrophobicContact CB-CG 4.17Å; L271-K719 HydrophobicContact CD1-CB 4.49Å; L271-Q720 HydrophobicContact CD1-CB 4.39Å
272	E	71.9	Confident	82.7	Confident	159 Å²	159	35.5 Å²	35.5	74%	0.743	20%	0.199	S	C	*	.			trans	-68.6	130	175.1	-68.4	-170.5	163.5	0	0	109.3	G270 G274	G270-E272 PolarHBondContact O-N 3.29Å; E272-G274 PolarHBondContact O-N 3.08Å; E272-G274 VanDerWaalsContact O-N 3.15Å
273	L	70	Confident	82.7	Confident	97 Å²	97	37.6 Å²	37.6	51%	0.508	21%	0.21	S	C	.	.			trans	-63.3	114.9	167.5	-80.4	161.8	0	0	0	108.3	L271 K719	L271-L273 PolarHBondContact O-N 3.28Å; L273-K719 HydrophobicContact CD2-CD 4.13Å; L273-K719 VanDerWaalsContact CD2-NZ 3.29Å; L273-K719 VanDerWaalsContact CG-NZ 3.33Å
274	G	72.3	Confident	82.8	Confident	63 Å²	63	39.8 Å²	39.8	65%	0.649	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-63.3	161.2	170.8	0	0	0	0	0	111.9	E272 T276	E272-G274 PolarHBondContact O-N 3.08Å; E272-G274 VanDerWaalsContact O-N 3.15Å; G274-T276 PolarHBondContact O-N 3.28Å
275	E	80.9	Confident	83	Confident	102 Å²	102	40 Å²	40	48%	0.477	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-69.5	127.8	170.8	-66.8	180	-176	0	0	110.1	K280	E275-K280 HydrophobicContact CB-CD 4.49Å; E275-K280 HydrophobicContact CB-CG 3.88Å; E275-K280 WeakPolarHBondContact O-CE 3.49Å; E275-K280 PolarHBondContact O-NZ 2.64Å
276	T	86.9	Confident	83.2	Confident	14 Å²	14	40.5 Å²	40.5	9%	0.086	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-63	155.4	176.4	67	0	0	0	0	110.8	G274 I278 H279 K280 E356	G274-T276 PolarHBondContact O-N 3.28Å; T276-I278 VanDerWaalsContact C-N 3.32Å; T276-I278 PolarHBondContact O-N 3.03Å; T276-I278 WeakPolarHBondContact OG1-CG2 3.44Å; T276-H279 WeakPolarHBondContact O-CB 3.42Å; T276-H279 PolarHBondContact O-N 3.09Å; T276-H279 VanDerWaalsContact O-N 3.11Å; T276-H279 VanDerWaalsContact OG1-CB 3.23Å; T276-H279 WeakPolarHBondContact OG1-CB 3.21Å; T276-H279 PolarHBondContact OG1-N 2.96Å; T276-K280 PolarHBondContact O-N 2.96Å; T276-E356 HydrophobicContact CG2-CB 3.96Å; T276-E356 WeakPolarHBondContact CG2-OE2 3.45Å; T276-E356 PolarHBondContact OG1-OE2 3.42Å
277	P	89	Confident	83.5	Confident	4 Å²	4	45 Å²	45	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-54.6	-45.4	176.9	-28.1	36.7	0	0	0	112.9	H279 K280 E281 T360 I704	P277-H279 VanDerWaalsContact C-N 3.32Å; P277-H279 PolarHBondContact O-N 2.63Å; P277-K280 PolarHBondContact O-N 3.36Å; P277-E281 WeakPolarHBondContact O-CG 3.23Å; P277-E281 PolarHBondContact O-N 2.68Å; P277-T360 HydrophobicContact CG-CG2 3.99Å; P277-I704 HydrophobicContact CG-CD1 3.85Å; P277-I704 HydrophobicContact CG-CG1 4.24Å; P277-I704 HydrophobicContact CG-CG2 4.03Å
278	I	89.4	Confident	83.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-37.4	177.2	-170.9	59.7	0	0	0	112.5	T276 E281 I282 E356 E359 L765 L837	T276-I278 VanDerWaalsContact C-N 3.32Å; T276-I278 PolarHBondContact O-N 3.03Å; T276-I278 WeakPolarHBondContact OG1-CG2 3.44Å; I278-E281 PolarHBondContact O-N 2.78Å; I278-I282 HydrophobicContact CG1-CD1 4.04Å; I278-I282 HydrophobicContact CG1-CG1 4.46Å; I278-I282 VanDerWaalsContact O-CG1 3.31Å; I278-I282 WeakPolarHBondContact O-CG1 3.38Å; I278-I282 PolarHBondContact O-N 3.2Å; I278-E356 HydrophobicContact CG2-CB 3.51Å; I278-E356 HydrophobicContact CG2-CG 3.82Å; I278-E359 HydrophobicContact CB-CB 4.23Å; I278-E359 HydrophobicContact CB-CG 4.25Å; I278-E359 WeakPolarHBondContact CB-OE2 3.48Å; I278-E359 HydrophobicContact CD1-CG 4.35Å; I278-E359 PolarHBondContact N-OE2 3.03Å; I278-L765 HydrophobicContact CD1-CD1 4.02Å; I278-L837 HydrophobicContact CD1-CD2 3.97Å
279	H	86.1	Confident	84	Confident	52 Å²	52	47.5 Å²	47.5	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-43.3	176.8	-167.3	86.9	0	0	0	111.6	T276 P277 E281 I282 N283 E356	T276-H279 WeakPolarHBondContact O-CB 3.42Å; T276-H279 PolarHBondContact O-N 3.09Å; T276-H279 VanDerWaalsContact O-N 3.11Å; T276-H279 VanDerWaalsContact OG1-CB 3.23Å; T276-H279 WeakPolarHBondContact OG1-CB 3.21Å; T276-H279 PolarHBondContact OG1-N 2.96Å; P277-H279 VanDerWaalsContact C-N 3.32Å; P277-H279 PolarHBondContact O-N 2.63Å; H279-E281 VanDerWaalsContact C-N 3.29Å; H279-E281 PolarHBondContact O-N 2.9Å; H279-I282 PolarHBondContact O-N 2.72Å; H279-N283 PolarHBondContact CD2-ND2 2.74Å; H279-N283 PolarHBondContact NE2-ND2 3.37Å; H279-N283 PolarHBondContact O-N 3.03Å; H279-E356 IonicContact ND1-OE1 3.05Å; H279-E356 PolarHBondContact ND1-OE1 2.61Å
280	K	88.6	Confident	84.4	Confident	89 Å²	89	47.8 Å²	47.8	39%	0.387	26%	0.258	S	S	.	.	H	α-helix	trans	-58.5	-42.1	173.6	-70	171.5	180	158.8	0	111.6	E275 T276 P277 N283 H284	E275-K280 HydrophobicContact CB-CD 4.49Å; E275-K280 HydrophobicContact CB-CG 3.88Å; E275-K280 WeakPolarHBondContact O-CE 3.49Å; E275-K280 PolarHBondContact O-NZ 2.64Å; T276-K280 PolarHBondContact O-N 2.96Å; P277-K280 PolarHBondContact O-N 3.36Å; K280-N283 PolarHBondContact O-N 3.19Å; K280-H284 WeakPolarHBondContact O-CB 3.02Å; K280-H284 PolarHBondContact O-N 3.38Å
281	E	90	Very high	85.1	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.009	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-42.4	176.7	-68.4	-57	141.3	0	0	112.5	P277 I278 H279 H284 F285 R830 R836 L837	P277-E281 WeakPolarHBondContact O-CG 3.23Å; P277-E281 PolarHBondContact O-N 2.68Å; I278-E281 PolarHBondContact O-N 2.78Å; H279-E281 VanDerWaalsContact C-N 3.29Å; H279-E281 PolarHBondContact O-N 2.9Å; E281-H284 PolarHBondContact O-N 2.78Å; E281-F285 WeakPolarHBondContact O-CB 3.32Å; E281-F285 PolarHBondContact O-N 3.36Å; E281-R830 IonicContact OE1-NH1 2.6Å; E281-R830 PolarHBondContact OE1-NH1 2.99Å; E281-R836 WeakPolarHBondContact OE1-CD 3.35Å; E281-R836 IonicContact OE1-CZ 2.75Å; E281-R836 IonicContact OE1-NE 3.17Å; E281-R836 IonicContact OE1-NH1 2.74Å; E281-R836 PolarHBondContact OE1-NH1 2.96Å; E281-R836 VanDerWaalsContact OE2-CA 3.27Å; E281-R836 WeakPolarHBondContact OE2-CA 3.45Å; E281-R836 WeakPolarHBondContact OE2-CB 3.26Å; E281-R836 WeakPolarHBondContact OE2-CD 3.29Å; E281-L837 HydrophobicContact CB-CB 3.79Å; E281-L837 HydrophobicContact CB-CD2 4.2Å; E281-L837 HydrophobicContact CG-CB 4.08Å; E281-L837 PolarHBondContact OE2-N 3.26Å
282	I	87.3	Confident	85.5	Confident	20 Å²	20	50.1 Å²	50.1	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-43.8	175.6	-70.1	168.1	0	0	0	110.5	I278 H279 F285 I286 L331 V334	I278-I282 HydrophobicContact CG1-CD1 4.04Å; I278-I282 HydrophobicContact CG1-CG1 4.46Å; I278-I282 VanDerWaalsContact O-CG1 3.31Å; I278-I282 WeakPolarHBondContact O-CG1 3.38Å; I278-I282 PolarHBondContact O-N 3.2Å; H279-I282 PolarHBondContact O-N 2.72Å; I282-F285 WeakPolarHBondContact O-CB 3.29Å; I282-F285 PolarHBondContact O-N 3.06Å; I282-I286 HydrophobicContact CG2-CD1 3.61Å; I282-I286 HydrophobicContact CG2-CG1 4.26Å; I282-I286 WeakPolarHBondContact O-CB 3.45Å; I282-I286 WeakPolarHBondContact O-CG1 3.29Å; I282-I286 PolarHBondContact O-N 2.88Å; I282-L331 HydrophobicContact CG2-CD2 4.14Å; I282-V334 HydrophobicContact CD1-CG1 4.08Å
283	N	86.9	Confident	86.3	Confident	44 Å²	44	42.6 Å²	42.6	24%	0.235	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-43.8	177.1	-77.9	-21.8	0	0	0	112	H279 K280 F285 I286 H287	H279-N283 PolarHBondContact CD2-ND2 2.74Å; H279-N283 PolarHBondContact NE2-ND2 3.37Å; H279-N283 PolarHBondContact O-N 3.03Å; K280-N283 PolarHBondContact O-N 3.19Å; N283-F285 VanDerWaalsContact C-N 3.32Å; N283-F285 PolarHBondContact O-N 3.45Å; N283-I286 PolarHBondContact O-N 2.83Å; N283-H287 PolarHBondContact O-CD2 2.87Å; N283-H287 PolarHBondContact O-N 2.92Å
284	H	87.9	Confident	87.1	Confident	77 Å²	77	41.9 Å²	41.9	36%	0.356	23%	0.23	S	C	.	.	H	α-helix	trans	-57.1	-48.2	174.3	178.2	71.7	0	0	0	111.4	K280 E281 H287 L288	K280-H284 WeakPolarHBondContact O-CB 3.02Å; K280-H284 PolarHBondContact O-N 3.38Å; E281-H284 PolarHBondContact O-N 2.78Å; H284-H287 PolarHBondContact O-N 2.94Å; H284-L288 WeakPolarHBondContact O-CB 3.33Å; H284-L288 PolarHBondContact O-N 2.92Å
285	F	88.5	Confident	88	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-48.1	176.4	163.4	-114.2	0	0	0	112.6	F94 E281 I282 N283 H287 L288 I289 P327 L330 I769 L773 V838	F94-F285 HydrophobicContact CE2-CD1 4.37Å; F94-F285 AromaticContact CE2-CE1 3.71Å; F94-F285 HydrophobicContact CE2-CE1 3.71Å; F94-F285 HydrophobicContact CE2-CZ 4.29Å; F94-F285 HydrophobicContact CZ-CD1 4.47Å; F94-F285 AromaticContact CZ-CE1 3.86Å; F94-F285 HydrophobicContact CZ-CE1 3.86Å; F94-F285 HydrophobicContact CZ-CZ 4.08Å; E281-F285 WeakPolarHBondContact O-CB 3.32Å; E281-F285 PolarHBondContact O-N 3.36Å; I282-F285 WeakPolarHBondContact O-CB 3.29Å; I282-F285 PolarHBondContact O-N 3.06Å; N283-F285 VanDerWaalsContact C-N 3.32Å; N283-F285 PolarHBondContact O-N 3.45Å; F285-H287 VanDerWaalsContact C-N 3.32Å; F285-H287 PolarHBondContact O-N 3.25Å; F285-L288 WeakPolarHBondContact O-CB 3.44Å; F285-L288 PolarHBondContact O-N 2.93Å; F285-I289 HydrophobicContact CD2-CD1 4.45Å; F285-I289 HydrophobicContact CD2-CG1 3.76Å; F285-I289 HydrophobicContact CE2-CD1 3.83Å; F285-I289 HydrophobicContact CE2-CG1 3.21Å; F285-I289 HydrophobicContact CZ-CG1 3.75Å; F285-I289 PolarHBondContact O-N 3.31Å; F285-P327 HydrophobicContact CZ-CG 4.27Å; F285-L330 HydrophobicContact CE1-CD2 3.38Å; F285-L330 HydrophobicContact CE1-CG 4.46Å; F285-L330 HydrophobicContact CE2-CD2 4.39Å; F285-L330 HydrophobicContact CZ-CD2 3.26Å; F285-I769 HydrophobicContact CE2-CG2 4.42Å; F285-L773 HydrophobicContact CE2-CD1 3.89Å; F285-L773 HydrophobicContact CE2-CD2 4.07Å; F285-L773 HydrophobicContact CE2-CG 4.46Å; F285-L773 HydrophobicContact CZ-CD2 4.18Å; F285-V838 HydrophobicContact CB-CB 4.36Å; F285-V838 HydrophobicContact CB-CG2 4.16Å; F285-V838 HydrophobicContact CD2-CB 3.96Å; F285-V838 HydrophobicContact CD2-CG1 4.02Å; F285-V838 HydrophobicContact CD2-CG2 3.56Å; F285-V838 HydrophobicContact CE2-CG2 4.22Å; F285-V838 HydrophobicContact CG-CG2 4Å
286	I	87.5	Confident	88.5	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.051	22%	0.216	C	C	.	.	H	α-helix	trans	-59	-44.7	178.5	-71.7	165.9	0	0	0	110.9	F94 I282 N283 L288 T290	F94-I286 HydrophobicContact CD1-CG2 4.33Å; F94-I286 HydrophobicContact CD2-CG1 3.92Å; F94-I286 HydrophobicContact CE1-CG2 4.33Å; F94-I286 HydrophobicContact CE2-CB 4.42Å; F94-I286 HydrophobicContact CE2-CG1 3.62Å; F94-I286 HydrophobicContact CG-CG2 4.48Å; F94-I286 HydrophobicContact CZ-CB 4.31Å; F94-I286 HydrophobicContact CZ-CG1 3.98Å; I282-I286 HydrophobicContact CG2-CD1 3.61Å; I282-I286 HydrophobicContact CG2-CG1 4.26Å; I282-I286 WeakPolarHBondContact O-CB 3.45Å; I282-I286 WeakPolarHBondContact O-CG1 3.29Å; I282-I286 PolarHBondContact O-N 2.88Å; N283-I286 PolarHBondContact O-N 2.83Å; I286-L288 VanDerWaalsContact C-N 3.34Å; I286-L288 PolarHBondContact O-N 3.08Å; I286-T290 WeakPolarHBondContact O-CB 3.42Å; I286-T290 PolarHBondContact O-N 2.86Å; I286-T290 PolarHBondContact O-OG1 3.34Å
287	H	88	Confident	88.5	Confident	132 Å²	132	40.2 Å²	40.2	61%	0.611	21%	0.212	S	C	*	.	H	α-helix	trans	-62.7	-41.4	178	-75.2	-50.6	0	0	0	112.2	N283 H284 F285 A291	N283-H287 PolarHBondContact O-CD2 2.87Å; N283-H287 PolarHBondContact O-N 2.92Å; H284-H287 PolarHBondContact O-N 2.94Å; F285-H287 VanDerWaalsContact C-N 3.32Å; F285-H287 PolarHBondContact O-N 3.25Å; H287-A291 WeakPolarHBondContact O-CB 3.16Å; H287-A291 PolarHBondContact O-N 3.29Å
288	L	89.1	Confident	88.5	Confident	53 Å²	53	43.1 Å²	43.1	28%	0.277	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-51.1	179	-175.8	56.9	0	0	0	111.8	H284 F285 I286 T290 A291 V292 V838 I843	H284-L288 WeakPolarHBondContact O-CB 3.33Å; H284-L288 PolarHBondContact O-N 2.92Å; F285-L288 WeakPolarHBondContact O-CB 3.44Å; F285-L288 PolarHBondContact O-N 2.93Å; I286-L288 VanDerWaalsContact C-N 3.34Å; I286-L288 PolarHBondContact O-N 3.08Å; L288-T290 PolarHBondContact O-N 3.26Å; L288-A291 WeakPolarHBondContact O-CB 3.46Å; L288-A291 PolarHBondContact O-N 2.91Å; L288-V292 WeakPolarHBondContact O-CG2 3.31Å; L288-V292 PolarHBondContact O-N 2.88Å; L288-V838 HydrophobicContact CD2-CG1 4.43Å; L288-I843 HydrophobicContact CD2-CD1 3.32Å; L288-I843 HydrophobicContact CG-CD1 3.89Å
289	I	88.9	Confident	88.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-40.1	178.2	-62	-55.1	0	0	0	111.5	F94 F285 A291 V292 A293 N325 L773	F94-I289 HydrophobicContact CE1-CB 3.76Å; F94-I289 HydrophobicContact CE1-CG2 3.64Å; F94-I289 HydrophobicContact CZ-CB 3.83Å; F94-I289 HydrophobicContact CZ-CG1 4.28Å; F94-I289 HydrophobicContact CZ-CG2 3.94Å; F285-I289 HydrophobicContact CD2-CD1 4.45Å; F285-I289 HydrophobicContact CD2-CG1 3.76Å; F285-I289 HydrophobicContact CE2-CD1 3.83Å; F285-I289 HydrophobicContact CE2-CG1 3.21Å; F285-I289 HydrophobicContact CZ-CG1 3.75Å; F285-I289 PolarHBondContact O-N 3.31Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 3.19Å; I289-V292 PolarHBondContact O-N 3.31Å; I289-A293 WeakPolarHBondContact O-CB 3.33Å; I289-A293 PolarHBondContact O-N 2.91Å; I289-N325 WeakPolarHBondContact CG2-O 3.35Å; I289-L773 HydrophobicContact CD1-CD2 4.06Å
290	T	87.4	Confident	88.8	Confident	33 Å²	33	45.3 Å²	45.3	20%	0.202	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-41.7	175.1	-63.5	0	0	0	0	111.4	L97 I286 L288 A293 M294	L97-T290 HydrophobicContact CD1-CG2 3.85Å; L97-T290 HydrophobicContact CD2-CG2 4.23Å; L97-T290 HydrophobicContact CG-CG2 4.27Å; I286-T290 WeakPolarHBondContact O-CB 3.42Å; I286-T290 PolarHBondContact O-N 2.86Å; I286-T290 PolarHBondContact O-OG1 3.34Å; L288-T290 PolarHBondContact O-N 3.26Å; T290-A293 PolarHBondContact O-N 3.07Å; T290-M294 HydrophobicContact CG2-CG 4.41Å; T290-M294 WeakPolarHBondContact O-CB 3.48Å; T290-M294 VanDerWaalsContact O-CG 3.27Å; T290-M294 WeakPolarHBondContact O-CG 3.36Å; T290-M294 PolarHBondContact O-N 3.25Å
291	A	89.7	Confident	88.8	Confident	51 Å²	51	43.9 Å²	43.9	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-63.2	-45.7	176.6	0	0	0	0	0	111.4	H287 L288 I289 M294 V295	H287-A291 WeakPolarHBondContact O-CB 3.16Å; H287-A291 PolarHBondContact O-N 3.29Å; L288-A291 WeakPolarHBondContact O-CB 3.46Å; L288-A291 PolarHBondContact O-N 2.91Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 3.19Å; A291-M294 PolarHBondContact O-N 2.92Å; A291-V295 WeakPolarHBondContact O-CB 3.23Å; A291-V295 VanDerWaalsContact O-CG2 3.24Å; A291-V295 WeakPolarHBondContact O-CG2 3.49Å; A291-V295 PolarHBondContact O-N 2.87Å
292	V	88.9	Confident	88.8	Confident	44 Å²	44	48 Å²	48	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-61.2	-47.3	176.4	175	0	0	0	0	111.2	L288 I289 M294 V295 L296 Y847	L288-V292 WeakPolarHBondContact O-CG2 3.31Å; L288-V292 PolarHBondContact O-N 2.88Å; I289-V292 PolarHBondContact O-N 3.31Å; V292-M294 VanDerWaalsContact C-N 3.35Å; V292-M294 PolarHBondContact O-N 2.81Å; V292-V295 PolarHBondContact O-N 3.46Å; V292-L296 HydrophobicContact CG1-CD1 3.84Å; V292-L296 HydrophobicContact CG1-CG 4.35Å; V292-L296 WeakPolarHBondContact O-CB 3.3Å; V292-L296 WeakPolarHBondContact O-CG 3.35Å; V292-L296 PolarHBondContact O-N 3.43Å; V292-Y847 HydrophobicContact CG1-CE2 4.44Å
293	A	88.1	Confident	88.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.6	-44.7	178.6	0	0	0	0	0	112.1	I289 T290 G297 N325	I289-A293 WeakPolarHBondContact O-CB 3.33Å; I289-A293 PolarHBondContact O-N 2.91Å; T290-A293 PolarHBondContact O-N 3.07Å; A293-G297 PolarHBondContact O-N 2.75Å; A293-N325 HydrophobicContact CB-CB 3.54Å
294	M	88.2	Confident	89	Confident	83 Å²	83	47.8 Å²	47.8	41%	0.409	26%	0.258	S	S	.	.	H	α-helix	trans	-68.5	-42.4	178.4	-73.6	-62.4	-61.7	0	0	112.3	L97 T290 A291 V292 V298	L97-M294 HydrophobicContact CD2-SD 4.16Å; T290-M294 HydrophobicContact CG2-CG 4.41Å; T290-M294 WeakPolarHBondContact O-CB 3.48Å; T290-M294 VanDerWaalsContact O-CG 3.27Å; T290-M294 WeakPolarHBondContact O-CG 3.36Å; T290-M294 PolarHBondContact O-N 3.25Å; A291-M294 PolarHBondContact O-N 2.92Å; V292-M294 VanDerWaalsContact C-N 3.35Å; V292-M294 PolarHBondContact O-N 2.81Å; M294-V298 HydrophobicContact CE-CG2 4.34Å; M294-V298 WeakPolarHBondContact O-CB 3.35Å; M294-V298 VanDerWaalsContact O-CG2 3.27Å; M294-V298 WeakPolarHBondContact O-CG2 2.99Å; M294-V298 PolarHBondContact O-N 2.86Å
295	V	91.7	Very high	89	Confident	93 Å²	93	48.6 Å²	48.6	56%	0.564	26%	0.26	S	S	*	.	H	α-helix	trans	-62.9	-49	178.1	168.6	0	0	0	0	110.5	A291 V292 T299	A291-V295 WeakPolarHBondContact O-CB 3.23Å; A291-V295 VanDerWaalsContact O-CG2 3.24Å; A291-V295 WeakPolarHBondContact O-CG2 3.49Å; A291-V295 PolarHBondContact O-N 2.87Å; V292-V295 PolarHBondContact O-N 3.46Å; V295-T299 WeakPolarHBondContact O-CB 3.4Å; V295-T299 PolarHBondContact O-N 3.21Å; V295-T299 PolarHBondContact O-OG1 3.37Å
296	L	89.9	Confident	89.1	Confident	50 Å²	50	54.7 Å²	54.7	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-47.7	177.7	-70.4	176.9	0	0	0	111.2	V292 V298 T299 F300 I321	V292-L296 HydrophobicContact CG1-CD1 3.84Å; V292-L296 HydrophobicContact CG1-CG 4.35Å; V292-L296 WeakPolarHBondContact O-CB 3.3Å; V292-L296 WeakPolarHBondContact O-CG 3.35Å; V292-L296 PolarHBondContact O-N 3.43Å; L296-V298 PolarHBondContact O-N 3.41Å; L296-T299 PolarHBondContact O-N 2.73Å; L296-F300 WeakPolarHBondContact O-CD2 3.47Å; L296-F300 PolarHBondContact O-N 2.7Å; L296-I321 HydrophobicContact CB-CG2 4.08Å
297	G	88.2	Confident	89.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.4	-51.8	179.5	0	0	0	0	0	112.9	A293 F301 L318	A293-G297 PolarHBondContact O-N 2.75Å; G297-F301 VanDerWaalsContact O-CB 3.25Å; G297-F301 WeakPolarHBondContact O-CB 3.3Å; G297-F301 PolarHBondContact O-N 3.24Å; G297-L318 WeakPolarHBondContact O-CD1 3.24Å
298	V	89.2	Confident	89	Confident	66 Å²	66	55.1 Å²	55.1	40%	0.4	31%	0.314	S	S	.	.	H	α-helix	trans	-67.5	-40	-179.4	174.5	0	0	0	0	111.6	M294 L296 F301 I302	M294-V298 HydrophobicContact CE-CG2 4.34Å; M294-V298 WeakPolarHBondContact O-CB 3.35Å; M294-V298 VanDerWaalsContact O-CG2 3.27Å; M294-V298 WeakPolarHBondContact O-CG2 2.99Å; M294-V298 PolarHBondContact O-N 2.86Å; L296-V298 PolarHBondContact O-N 3.41Å; V298-F301 WeakPolarHBondContact O-CB 3.35Å; V298-F301 PolarHBondContact O-N 3.01Å; V298-I302 HydrophobicContact CG1-CD1 4.01Å; V298-I302 WeakPolarHBondContact O-CG1 3.48Å; V298-I302 PolarHBondContact O-N 2.64Å
299	T	91.3	Very high	88.8	Confident	63 Å²	63	54 Å²	54	39%	0.387	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-48.4	178.6	-59.6	0	0	0	0	110.8	V295 L296 F301 I302 I303	V295-T299 WeakPolarHBondContact O-CB 3.4Å; V295-T299 PolarHBondContact O-N 3.21Å; V295-T299 PolarHBondContact O-OG1 3.37Å; L296-T299 PolarHBondContact O-N 2.73Å; T299-F301 VanDerWaalsContact C-N 3.35Å; T299-I302 PolarHBondContact O-N 3.36Å; T299-I303 HydrophobicContact CG2-CD1 4Å; T299-I303 VanDerWaalsContact O-CG1 3.32Å; T299-I303 WeakPolarHBondContact O-CG1 3.43Å; T299-I303 PolarHBondContact O-N 2.95Å
300	F	88.9	Confident	88.5	Confident	35 Å²	35	61.3 Å²	61.3	15%	0.154	33%	0.333	C	S	.	.	H	α-helix	trans	-73.4	-26.8	179.5	-83.9	-93.9	0	0	0	113.3	L296 I303 A304 I321 L784 I787	L296-F300 WeakPolarHBondContact O-CD2 3.47Å; L296-F300 PolarHBondContact O-N 2.7Å; F300-I303 HydrophobicContact CD1-CD1 4.42Å; F300-I303 HydrophobicContact CE1-CD1 4.5Å; F300-I303 PolarHBondContact O-N 3.42Å; F300-A304 VanDerWaalsContact O-CB 3.31Å; F300-A304 WeakPolarHBondContact O-CB 3.34Å; F300-A304 PolarHBondContact O-N 3.47Å; F300-I321 HydrophobicContact CB-CD1 3.37Å; F300-I321 HydrophobicContact CG-CD1 3.92Å; F300-L784 HydrophobicContact CD1-CD2 3.8Å; F300-L784 HydrophobicContact CD2-CD2 3.73Å; F300-L784 HydrophobicContact CE1-CB 3.8Å; F300-L784 HydrophobicContact CE1-CD2 3.68Å; F300-L784 HydrophobicContact CE1-CG 4.17Å; F300-L784 HydrophobicContact CE2-CD1 4.04Å; F300-L784 HydrophobicContact CE2-CD2 3.61Å; F300-L784 HydrophobicContact CE2-CG 4.3Å; F300-L784 HydrophobicContact CG-CD2 3.83Å; F300-L784 HydrophobicContact CZ-CB 3.9Å; F300-L784 HydrophobicContact CZ-CD1 3.83Å; F300-L784 HydrophobicContact CZ-CD2 3.59Å; F300-L784 HydrophobicContact CZ-CG 3.94Å; F300-I787 HydrophobicContact CD1-CD1 4.37Å
301	F	88.9	Confident	88.3	Confident	58 Å²	58	66.4 Å²	66.4	25%	0.254	35%	0.349	S	S	.	.	H	α-helix	trans	-60.9	-47.3	167.8	178.5	-97.4	0	0	0	111.2	G297 V298 T299 A304 F305 A314 V315 L318	G297-F301 VanDerWaalsContact O-CB 3.25Å; G297-F301 WeakPolarHBondContact O-CB 3.3Å; G297-F301 PolarHBondContact O-N 3.24Å; V298-F301 WeakPolarHBondContact O-CB 3.35Å; V298-F301 PolarHBondContact O-N 3.01Å; T299-F301 VanDerWaalsContact C-N 3.35Å; F301-A304 WeakPolarHBondContact O-CB 3.31Å; F301-A304 PolarHBondContact O-N 3.39Å; F301-F305 HydrophobicContact CD1-CD2 4.05Å; F301-F305 HydrophobicContact CD1-CE2 4Å; F301-F305 HydrophobicContact CD2-CE2 4.16Å; F301-F305 AromaticContact CE1-CD2 3.89Å; F301-F305 HydrophobicContact CE1-CD2 3.89Å; F301-F305 AromaticContact CE1-CE2 3.45Å; F301-F305 HydrophobicContact CE1-CE2 3.45Å; F301-F305 VanDerWaalsContact CE1-CE2 3.45Å; F301-F305 HydrophobicContact CE1-CZ 4.49Å; F301-F305 HydrophobicContact CE2-CD2 4.48Å; F301-F305 AromaticContact CE2-CE2 3.64Å; F301-F305 HydrophobicContact CE2-CE2 3.64Å; F301-F305 HydrophobicContact CG-CD2 4.45Å; F301-F305 HydrophobicContact CG-CE2 4.35Å; F301-F305 HydrophobicContact CZ-CD2 4.16Å; F301-F305 AromaticContact CZ-CE2 3.3Å; F301-F305 HydrophobicContact CZ-CE2 3.3Å; F301-F305 HydrophobicContact CZ-CZ 4.1Å; F301-F305 WeakPolarHBondContact O-CD2 3.3Å; F301-F305 PolarHBondContact O-N 3.12Å; F301-A314 HydrophobicContact CD2-CB 3.88Å; F301-A314 WeakPolarHBondContact CD2-O 3.45Å; F301-A314 HydrophobicContact CE2-CB 3.98Å; F301-V315 HydrophobicContact CE2-CG2 3.97Å; F301-L318 HydrophobicContact CD2-CB 4.1Å; F301-L318 HydrophobicContact CD2-CD2 4.2Å; F301-L318 HydrophobicContact CE2-CD2 4.49Å
302	I	90.7	Very high	87.8	Confident	90 Å²	90	64.9 Å²	64.9	46%	0.462	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-44.7	176	-66.2	165.2	0	0	0	110.7	V298 T299 A304 F305 I306	V298-I302 HydrophobicContact CG1-CD1 4.01Å; V298-I302 WeakPolarHBondContact O-CG1 3.48Å; V298-I302 PolarHBondContact O-N 2.64Å; T299-I302 PolarHBondContact O-N 3.36Å; I302-A304 VanDerWaalsContact C-N 3.31Å; I302-A304 PolarHBondContact O-N 2.96Å; I302-F305 WeakPolarHBondContact O-CB 3.42Å; I302-F305 PolarHBondContact O-N 3.37Å; I302-F305 VanDerWaalsContact O-N 3.15Å; I302-I306 HydrophobicContact CG2-CD1 3.86Å; I302-I306 HydrophobicContact CG2-CG1 4.45Å; I302-I306 WeakPolarHBondContact O-CG1 3.4Å; I302-I306 PolarHBondContact O-N 3.41Å
303	I	89.9	Confident	87.5	Confident	59 Å²	59	65.7 Å²	65.7	30%	0.303	33%	0.334	S	S	.	.	H	α-helix	trans	-59.7	-42.5	176.3	-67.8	167	0	0	0	110.7	T299 F300 F305 I306 L307	T299-I303 HydrophobicContact CG2-CD1 4Å; T299-I303 VanDerWaalsContact O-CG1 3.32Å; T299-I303 WeakPolarHBondContact O-CG1 3.43Å; T299-I303 PolarHBondContact O-N 2.95Å; F300-I303 HydrophobicContact CD1-CD1 4.42Å; F300-I303 HydrophobicContact CE1-CD1 4.5Å; F300-I303 PolarHBondContact O-N 3.42Å; I303-F305 VanDerWaalsContact C-N 3.32Å; I303-F305 PolarHBondContact O-N 2.88Å; I303-I306 PolarHBondContact O-N 2.87Å; I303-I306 VanDerWaalsContact O-N 3.15Å; I303-L307 HydrophobicContact CG2-CD1 3.73Å; I303-L307 HydrophobicContact CG2-CG 4.16Å; I303-L307 WeakPolarHBondContact O-CB 3.18Å; I303-L307 WeakPolarHBondContact O-CG 2.99Å; I303-L307 PolarHBondContact O-N 3.13Å
304	A	87.7	Confident	87.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.4	-40.5	176.3	0	0	0	0	0	111.6	F300 F301 I302 L307 G308 Y309 A314 F317 I787	F300-A304 VanDerWaalsContact O-CB 3.31Å; F300-A304 WeakPolarHBondContact O-CB 3.34Å; F300-A304 PolarHBondContact O-N 3.47Å; F301-A304 WeakPolarHBondContact O-CB 3.31Å; F301-A304 PolarHBondContact O-N 3.39Å; I302-A304 VanDerWaalsContact C-N 3.31Å; I302-A304 PolarHBondContact O-N 2.96Å; A304-L307 PolarHBondContact O-N 3.34Å; A304-G308 PolarHBondContact O-N 2.87Å; A304-Y309 HydrophobicContact CB-CD2 4.25Å; A304-Y309 HydrophobicContact CB-CG 4.36Å; A304-Y309 WeakPolarHBondContact O-CB 3.2Å; A304-Y309 WeakPolarHBondContact O-CD2 3.39Å; A304-Y309 PolarHBondContact O-N 2.88Å; A304-A314 HydrophobicContact CB-CB 4.02Å; A304-F317 HydrophobicContact CB-CD2 4.1Å; A304-I787 HydrophobicContact CB-CG2 4.33Å
305	F	87.3	Confident	87.1	Confident	93 Å²	93	63 Å²	63	41%	0.408	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-43.9	172.4	-87	-77.9	0	0	0	112.8	F301 I302 I303 L307 G308 W311 A314	F301-F305 HydrophobicContact CD1-CD2 4.05Å; F301-F305 HydrophobicContact CD1-CE2 4Å; F301-F305 HydrophobicContact CD2-CE2 4.16Å; F301-F305 AromaticContact CE1-CD2 3.89Å; F301-F305 HydrophobicContact CE1-CD2 3.89Å; F301-F305 AromaticContact CE1-CE2 3.45Å; F301-F305 HydrophobicContact CE1-CE2 3.45Å; F301-F305 VanDerWaalsContact CE1-CE2 3.45Å; F301-F305 HydrophobicContact CE1-CZ 4.49Å; F301-F305 HydrophobicContact CE2-CD2 4.48Å; F301-F305 AromaticContact CE2-CE2 3.64Å; F301-F305 HydrophobicContact CE2-CE2 3.64Å; F301-F305 HydrophobicContact CG-CD2 4.45Å; F301-F305 HydrophobicContact CG-CE2 4.35Å; F301-F305 HydrophobicContact CZ-CD2 4.16Å; F301-F305 AromaticContact CZ-CE2 3.3Å; F301-F305 HydrophobicContact CZ-CE2 3.3Å; F301-F305 HydrophobicContact CZ-CZ 4.1Å; F301-F305 WeakPolarHBondContact O-CD2 3.3Å; F301-F305 PolarHBondContact O-N 3.12Å; I302-F305 WeakPolarHBondContact O-CB 3.42Å; I302-F305 PolarHBondContact O-N 3.37Å; I302-F305 VanDerWaalsContact O-N 3.15Å; I303-F305 VanDerWaalsContact C-N 3.32Å; I303-F305 PolarHBondContact O-N 2.88Å; F305-L307 VanDerWaalsContact C-N 3.29Å; F305-L307 PolarHBondContact O-N 3.31Å; F305-G308 PolarHBondContact O-N 2.95Å; F305-W311 HydrophobicContact CE1-CB 3.94Å; F305-W311 HydrophobicContact CZ-CB 3.64Å; F305-A314 HydrophobicContact CD2-CB 4.11Å; F305-A314 HydrophobicContact CE2-CB 3.7Å; F305-A314 HydrophobicContact CZ-CB 4.26Å
306	I	90.6	Very high	86.6	Confident	134 Å²	134	60.9 Å²	60.9	69%	0.687	31%	0.308	S	S	*	.	H	α-helix	trans	-62.9	-37.8	179.2	-67.1	168.6	0	0	0	111.2	I302 I303 G308	I302-I306 HydrophobicContact CG2-CD1 3.86Å; I302-I306 HydrophobicContact CG2-CG1 4.45Å; I302-I306 WeakPolarHBondContact O-CG1 3.4Å; I302-I306 PolarHBondContact O-N 3.41Å; I303-I306 PolarHBondContact O-N 2.87Å; I303-I306 VanDerWaalsContact O-N 3.15Å; I306-G308 PolarHBondContact O-N 3.29Å
307	L	88.1	Confident	86.3	Confident	87 Å²	87	59 Å²	59	46%	0.455	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-1.5	177.1	-67.8	174.6	0	0	0	113.6	I303 A304 F305 Y309 I787	I303-L307 HydrophobicContact CG2-CD1 3.73Å; I303-L307 HydrophobicContact CG2-CG 4.16Å; I303-L307 WeakPolarHBondContact O-CB 3.18Å; I303-L307 WeakPolarHBondContact O-CG 2.99Å; I303-L307 PolarHBondContact O-N 3.13Å; A304-L307 PolarHBondContact O-N 3.34Å; F305-L307 VanDerWaalsContact C-N 3.29Å; F305-L307 PolarHBondContact O-N 3.31Å; L307-Y309 HydrophobicContact CB-CD2 3.65Å; L307-Y309 HydrophobicContact CB-CE2 3.53Å; L307-Y309 HydrophobicContact CD1-CE2 3.96Å; L307-Y309 HydrophobicContact CG-CE2 4.42Å; L307-I787 HydrophobicContact CD1-CG2 4.45Å
308	G	85.8	Confident	86.1	Confident	65 Å²	65	60.3 Å²	60.3	67%	0.67	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	24.9	174.1	0	0	0	0	0	114.9	A304 F305 I306	A304-G308 PolarHBondContact O-N 2.87Å; F305-G308 PolarHBondContact O-N 2.95Å; I306-G308 PolarHBondContact O-N 3.29Å
309	Y	84.5	Confident	85.8	Confident	29 Å²	29	57.4 Å²	57.4	11%	0.114	29%	0.287	C	S	.	.			trans	-73.6	150.2	173.6	-69.9	-106.5	0	0	0	111.2	A304 L307 E313 F317 I787 R880	A304-Y309 HydrophobicContact CB-CD2 4.25Å; A304-Y309 HydrophobicContact CB-CG 4.36Å; A304-Y309 WeakPolarHBondContact O-CB 3.2Å; A304-Y309 WeakPolarHBondContact O-CD2 3.39Å; A304-Y309 PolarHBondContact O-N 2.88Å; L307-Y309 HydrophobicContact CB-CD2 3.65Å; L307-Y309 HydrophobicContact CB-CE2 3.53Å; L307-Y309 HydrophobicContact CD1-CE2 3.96Å; L307-Y309 HydrophobicContact CG-CE2 4.42Å; Y309-E313 HydrophobicContact CD1-CB 4.36Å; Y309-E313 VanDerWaalsContact CD1-OE2 3.31Å; Y309-E313 WeakPolarHBondContact CD1-OE2 3.34Å; Y309-F317 HydrophobicContact CD1-CD2 4.47Å; Y309-F317 AromaticContact CD1-CE2 3.31Å; Y309-F317 HydrophobicContact CD1-CE2 3.31Å; Y309-F317 AromaticContact CD1-CZ 3.76Å; Y309-F317 HydrophobicContact CD1-CZ 3.76Å; Y309-F317 AromaticContact CE1-CE2 3.33Å; Y309-F317 HydrophobicContact CE1-CE2 3.33Å; Y309-F317 AromaticContact CE1-CZ 3.64Å; Y309-F317 HydrophobicContact CE1-CZ 3.64Å; Y309-F317 HydrophobicContact CG-CE2 4.06Å; Y309-I787 HydrophobicContact CE2-CG2 4.48Å; Y309-I787 PolarHBondContact OH-O 3.24Å; Y309-R880 VanDerWaalsContact CD1-NH2 3.27Å; Y309-R880 PolarHBondContact OH-NE 3.06Å
310	R	83.9	Confident	85.4	Confident	154 Å²	154	54.6 Å²	54.6	58%	0.581	27%	0.27	S	S	*	.			trans	-65.6	146.5	173.1	-67.1	177.1	67.5	177.4	-1.6	109.4	L312 E313 A314	R310-L312 PolarHBondContact O-N 2.71Å; R310-L312 VanDerWaalsContact O-N 3.09Å; R310-E313 HydrophobicContact CB-CG 4.37Å; R310-E313 WeakPolarHBondContact O-CB 3.5Å; R310-E313 PolarHBondContact O-N 3.45Å; R310-A314 PolarHBondContact O-N 2.58Å
311	W	82.9	Confident	85.3	Confident	140 Å²	140	53 Å²	53	53%	0.53	26%	0.263	S	S	.	.	H	α-helix	trans	-54	-35.1	179.8	72.2	-93.3	0	0	0	113	I111 F305 A314 V315	I111-W311 HydrophobicContact CD1-CH2 3.52Å; I111-W311 HydrophobicContact CD1-CZ2 4.41Å; I111-W311 HydrophobicContact CD1-CZ3 4.14Å; F305-W311 HydrophobicContact CE1-CB 3.94Å; F305-W311 HydrophobicContact CZ-CB 3.64Å; W311-A314 PolarHBondContact O-N 3.01Å; W311-V315 HydrophobicContact CE3-CG2 4.18Å; W311-V315 VanDerWaalsContact O-CG2 3.29Å; W311-V315 WeakPolarHBondContact O-CG2 3.47Å; W311-V315 PolarHBondContact O-N 2.93Å
312	L	80.1	Confident	85	Confident	20 Å²	20	50.8 Å²	50.8	11%	0.105	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-42.7	176.6	-172.2	70.5	0	0	0	111.9	I111 Q112 R310 V315 I316	I111-L312 HydrophobicContact CB-CD1 4.09Å; I111-L312 HydrophobicContact CD1-CD1 3.8Å; I111-L312 HydrophobicContact CG2-CD1 3.9Å; I111-L312 HydrophobicContact CG2-CD2 3.97Å; Q112-L312 HydrophobicContact CG-CD2 4.22Å; R310-L312 PolarHBondContact O-N 2.71Å; R310-L312 VanDerWaalsContact O-N 3.09Å; L312-V315 PolarHBondContact O-N 3.44Å; L312-I316 HydrophobicContact CG-CD1 4.35Å; L312-I316 VanDerWaalsContact O-CG1 3.32Å; L312-I316 WeakPolarHBondContact O-CG1 3.24Å; L312-I316 PolarHBondContact O-N 3.2Å
313	E	81.1	Confident	84.6	Confident	60 Å²	60	46.6 Å²	46.6	28%	0.28	23%	0.232	S	C	.	.	H	α-helix	trans	-64.2	-43.9	175.2	-68.2	172.5	-138.1	0	0	110.4	Y309 R310 V315 I316 F317 R880	Y309-E313 HydrophobicContact CD1-CB 4.36Å; Y309-E313 VanDerWaalsContact CD1-OE2 3.31Å; Y309-E313 WeakPolarHBondContact CD1-OE2 3.34Å; R310-E313 HydrophobicContact CB-CG 4.37Å; R310-E313 WeakPolarHBondContact O-CB 3.5Å; R310-E313 PolarHBondContact O-N 3.45Å; E313-V315 VanDerWaalsContact C-N 3.31Å; E313-V315 PolarHBondContact O-N 3.16Å; E313-I316 PolarHBondContact O-N 3.47Å; E313-I316 VanDerWaalsContact O-N 3.15Å; E313-F317 HydrophobicContact CB-CE2 4.23Å; E313-F317 HydrophobicContact CB-CZ 4.05Å; E313-F317 WeakPolarHBondContact O-CD1 3.26Å; E313-F317 WeakPolarHBondContact O-CD2 3.24Å; E313-F317 WeakPolarHBondContact O-CG 3.18Å; E313-F317 PolarHBondContact O-N 3.09Å; E313-R880 IonicContact OE2-NH1 3.15Å; E313-R880 IonicContact OE2-NH2 3.92Å
314	A	85.4	Confident	84.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-40.5	176.4	0	0	0	0	0	112	F301 A304 F305 R310 W311 F317 L318	F301-A314 HydrophobicContact CD2-CB 3.88Å; F301-A314 WeakPolarHBondContact CD2-O 3.45Å; F301-A314 HydrophobicContact CE2-CB 3.98Å; A304-A314 HydrophobicContact CB-CB 4.02Å; F305-A314 HydrophobicContact CD2-CB 4.11Å; F305-A314 HydrophobicContact CE2-CB 3.7Å; F305-A314 HydrophobicContact CZ-CB 4.26Å; R310-A314 PolarHBondContact O-N 2.58Å; W311-A314 PolarHBondContact O-N 3.01Å; A314-F317 PolarHBondContact O-N 2.96Å; A314-L318 PolarHBondContact O-N 2.82Å
315	V	82.9	Confident	84.5	Confident	27 Å²	27	43.8 Å²	43.8	16%	0.164	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-43.2	174.1	170.2	0	0	0	0	111.4	L104 F301 W311 L312 E313 F317 L318 I319	L104-V315 HydrophobicContact CD2-CG1 4.36Å; F301-V315 HydrophobicContact CE2-CG2 3.97Å; W311-V315 HydrophobicContact CE3-CG2 4.18Å; W311-V315 VanDerWaalsContact O-CG2 3.29Å; W311-V315 WeakPolarHBondContact O-CG2 3.47Å; W311-V315 PolarHBondContact O-N 2.93Å; L312-V315 PolarHBondContact O-N 3.44Å; E313-V315 VanDerWaalsContact C-N 3.31Å; E313-V315 PolarHBondContact O-N 3.16Å; V315-F317 VanDerWaalsContact C-N 3.26Å; V315-F317 PolarHBondContact O-N 3.15Å; V315-L318 WeakPolarHBondContact O-CB 3.21Å; V315-L318 PolarHBondContact O-N 3.34Å; V315-I319 HydrophobicContact CG1-CD1 4.19Å; V315-I319 VanDerWaalsContact O-CG1 3.31Å; V315-I319 WeakPolarHBondContact O-CG1 3.38Å; V315-I319 PolarHBondContact O-N 3.35Å
316	I	80.8	Confident	84.5	Confident	48 Å²	48	39.5 Å²	39.5	25%	0.246	20%	0.199	C	C	.	.	H	α-helix	trans	-60.7	-39.2	177.2	-69	165.6	0	0	0	110.8	A108 L312 E313 I319 G320	A108-I316 HydrophobicContact CB-CG1 4.41Å; L312-I316 HydrophobicContact CG-CD1 4.35Å; L312-I316 VanDerWaalsContact O-CG1 3.32Å; L312-I316 WeakPolarHBondContact O-CG1 3.24Å; L312-I316 PolarHBondContact O-N 3.2Å; E313-I316 PolarHBondContact O-N 3.47Å; E313-I316 VanDerWaalsContact O-N 3.15Å; I316-I319 PolarHBondContact O-N 2.9Å; I316-G320 PolarHBondContact O-N 3.41Å
317	F	83.5	Confident	84.3	Confident	10 Å²	10	33.2 Å²	33.2	4%	0.044	17%	0.167	C	C	.	.	H	α-helix	trans	-68.3	-40.9	176.3	-59.5	-19.2	0	0	0	113	A304 Y309 E313 A314 V315 I319 G320 I321 Y786 I787	A304-F317 HydrophobicContact CB-CD2 4.1Å; Y309-F317 HydrophobicContact CD1-CD2 4.47Å; Y309-F317 AromaticContact CD1-CE2 3.31Å; Y309-F317 HydrophobicContact CD1-CE2 3.31Å; Y309-F317 AromaticContact CD1-CZ 3.76Å; Y309-F317 HydrophobicContact CD1-CZ 3.76Å; Y309-F317 AromaticContact CE1-CE2 3.33Å; Y309-F317 HydrophobicContact CE1-CE2 3.33Å; Y309-F317 AromaticContact CE1-CZ 3.64Å; Y309-F317 HydrophobicContact CE1-CZ 3.64Å; Y309-F317 HydrophobicContact CG-CE2 4.06Å; E313-F317 HydrophobicContact CB-CE2 4.23Å; E313-F317 HydrophobicContact CB-CZ 4.05Å; E313-F317 WeakPolarHBondContact O-CD1 3.26Å; E313-F317 WeakPolarHBondContact O-CD2 3.24Å; E313-F317 WeakPolarHBondContact O-CG 3.18Å; E313-F317 PolarHBondContact O-N 3.09Å; A314-F317 PolarHBondContact O-N 2.96Å; V315-F317 VanDerWaalsContact C-N 3.26Å; V315-F317 PolarHBondContact O-N 3.15Å; F317-I319 VanDerWaalsContact C-N 3.26Å; F317-I319 PolarHBondContact O-N 2.66Å; F317-G320 PolarHBondContact O-N 3.4Å; F317-I321 VanDerWaalsContact O-CG1 3.31Å; F317-I321 WeakPolarHBondContact O-CG1 3.2Å; F317-I321 PolarHBondContact O-N 2.72Å; F317-Y786 HydrophobicContact CD1-CE1 4.22Å; F317-Y786 HydrophobicContact CE1-CD1 4.14Å; F317-Y786 AromaticContact CE1-CE1 3.44Å; F317-Y786 HydrophobicContact CE1-CE1 3.44Å; F317-Y786 VanDerWaalsContact CE1-CE1 3.44Å; F317-Y786 HydrophobicContact CZ-CD1 4.45Å; F317-Y786 AromaticContact CZ-CE1 3.74Å; F317-Y786 HydrophobicContact CZ-CE1 3.74Å; F317-I787 HydrophobicContact CB-CD1 3.64Å; F317-I787 HydrophobicContact CB-CG1 4.28Å; F317-I787 HydrophobicContact CD1-CG1 4.39Å; F317-I787 HydrophobicContact CD2-CD1 3.87Å; F317-I787 HydrophobicContact CD2-CG1 3.65Å; F317-I787 HydrophobicContact CD2-CG2 4.49Å; F317-I787 HydrophobicContact CE2-CG1 4.05Å; F317-I787 HydrophobicContact CG-CD1 3.77Å; F317-I787 HydrophobicContact CG-CG1 3.84Å
318	L	85.3	Confident	84.1	Confident	29 Å²	29	29.4 Å²	29.4	15%	0.152	15%	0.147	C	C	.	.	H	α-helix	trans	-55.7	-45.3	173.2	174.8	65.4	0	0	0	110.6	G297 F301 A314 V315 I321 I322	G297-L318 WeakPolarHBondContact O-CD1 3.24Å; F301-L318 HydrophobicContact CD2-CB 4.1Å; F301-L318 HydrophobicContact CD2-CD2 4.2Å; F301-L318 HydrophobicContact CE2-CD2 4.49Å; A314-L318 PolarHBondContact O-N 2.82Å; V315-L318 WeakPolarHBondContact O-CB 3.21Å; V315-L318 PolarHBondContact O-N 3.34Å; L318-I321 PolarHBondContact O-N 3.23Å; L318-I322 HydrophobicContact CD1-CD1 3.8Å; L318-I322 HydrophobicContact CD1-CG1 4.25Å; L318-I322 HydrophobicContact CG-CD1 3.91Å; L318-I322 WeakPolarHBondContact O-CB 3.41Å; L318-I322 VanDerWaalsContact O-CG1 3.27Å; L318-I322 WeakPolarHBondContact O-CG1 3.42Å; L318-I322 PolarHBondContact O-N 3.25Å
319	I	81.8	Confident	84.1	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-50.1	176	-61.6	163.7	0	0	0	110.5	L104 V315 I316 F317 I321 I322 V323	L104-I319 HydrophobicContact CB-CD1 3.54Å; L104-I319 HydrophobicContact CB-CG1 3.76Å; L104-I319 HydrophobicContact CD1-CG1 4.02Å; V315-I319 HydrophobicContact CG1-CD1 4.19Å; V315-I319 VanDerWaalsContact O-CG1 3.31Å; V315-I319 WeakPolarHBondContact O-CG1 3.38Å; V315-I319 PolarHBondContact O-N 3.35Å; I316-I319 PolarHBondContact O-N 2.9Å; F317-I319 VanDerWaalsContact C-N 3.26Å; F317-I319 PolarHBondContact O-N 2.66Å; I319-I321 VanDerWaalsContact C-N 3.3Å; I319-I321 PolarHBondContact O-N 2.96Å; I319-I322 PolarHBondContact O-N 2.99Å; I319-V323 HydrophobicContact CG2-CG2 4.11Å; I319-V323 WeakPolarHBondContact O-CB 3.1Å; I319-V323 VanDerWaalsContact O-CG2 3.3Å; I319-V323 WeakPolarHBondContact O-CG2 3.46Å; I319-V323 PolarHBondContact O-N 2.95Å
320	G	82.5	Confident	84.2	Confident	4 Å²	4	25 Å²	25	4%	0.041	11%	0.111	C	C	.	.	H	α-helix	trans	-57.9	-41.4	-179.4	0	0	0	0	0	112.9	I316 F317 A324	I316-G320 PolarHBondContact O-N 3.41Å; F317-G320 PolarHBondContact O-N 3.4Å; G320-A324 VanDerWaalsContact O-CB 3.26Å; G320-A324 WeakPolarHBondContact O-CB 3.4Å; G320-A324 PolarHBondContact O-N 3.49Å
321	I	87.2	Confident	84.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.4	-42.6	177.4	-66	170.4	0	0	0	111.2	L296 F300 F317 L318 I319 A324 N325 F783 L784 I787	L296-I321 HydrophobicContact CB-CG2 4.08Å; F300-I321 HydrophobicContact CB-CD1 3.37Å; F300-I321 HydrophobicContact CG-CD1 3.92Å; F317-I321 VanDerWaalsContact O-CG1 3.31Å; F317-I321 WeakPolarHBondContact O-CG1 3.2Å; F317-I321 PolarHBondContact O-N 2.72Å; L318-I321 PolarHBondContact O-N 3.23Å; I319-I321 VanDerWaalsContact C-N 3.3Å; I319-I321 PolarHBondContact O-N 2.96Å; I321-A324 PolarHBondContact O-N 3.43Å; I321-N325 PolarHBondContact O-N 2.86Å; I321-N325 VanDerWaalsContact O-N 3.16Å; I321-N325 PolarHBondContact O-ND2 3.05Å; I321-F783 HydrophobicContact CG1-CB 4.17Å; I321-L784 HydrophobicContact CD1-CD2 3.97Å; I321-L784 HydrophobicContact CG1-CD2 4.25Å; I321-I787 HydrophobicContact CD1-CD1 3.94Å
322	I	83.4	Confident	84.3	Confident	12 Å²	12	13.4 Å²	13.4	6%	0.062	7%	0.073	C	C	.	.	H	α-helix	trans	-62.9	-47.8	177.9	-70.5	169.9	0	0	0	110.2	L97 L318 I319 N325 V326	L97-I322 HydrophobicContact CB-CG2 4.35Å; L318-I322 HydrophobicContact CD1-CD1 3.8Å; L318-I322 HydrophobicContact CD1-CG1 4.25Å; L318-I322 HydrophobicContact CG-CD1 3.91Å; L318-I322 WeakPolarHBondContact O-CB 3.41Å; L318-I322 VanDerWaalsContact O-CG1 3.27Å; L318-I322 WeakPolarHBondContact O-CG1 3.42Å; L318-I322 PolarHBondContact O-N 3.25Å; I319-I322 PolarHBondContact O-N 2.99Å; I322-N325 PolarHBondContact O-N 3.3Å; I322-N325 VanDerWaalsContact O-N 3.15Å; I322-V326 WeakPolarHBondContact O-CG2 3.36Å; I322-V326 PolarHBondContact O-N 3.5Å
323	V	82.2	Confident	84.7	Confident	2 Å²	2	12.5 Å²	12.5	1%	0.012	7%	0.069	C	C	.	.	H	α-helix	trans	-60.1	-48.8	178.8	173.7	0	0	0	0	110.2	L130 I319 N325 V326 E328 T797	L130-V323 HydrophobicContact CD1-CG2 4.06Å; L130-V323 HydrophobicContact CD2-CG1 4.39Å; L130-V323 HydrophobicContact CD2-CG2 4.28Å; I319-V323 HydrophobicContact CG2-CG2 4.11Å; I319-V323 WeakPolarHBondContact O-CB 3.1Å; I319-V323 VanDerWaalsContact O-CG2 3.3Å; I319-V323 WeakPolarHBondContact O-CG2 3.46Å; I319-V323 PolarHBondContact O-N 2.95Å; V323-N325 PolarHBondContact O-N 3.22Å; V323-V326 PolarHBondContact O-N 2.87Å; V323-V326 VanDerWaalsContact O-N 3.11Å; V323-E328 WeakPolarHBondContact CG1-OE1 3.46Å; V323-T797 HydrophobicContact CG1-CG2 3.84Å
324	A	87.1	Confident	85.1	Confident	1 Å²	1	10.1 Å²	10.1	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-63.4	-15.1	178.1	0	0	0	0	0	114.8	G320 I321 I780 I800	G320-A324 VanDerWaalsContact O-CB 3.26Å; G320-A324 WeakPolarHBondContact O-CB 3.4Å; G320-A324 PolarHBondContact O-N 3.49Å; I321-A324 PolarHBondContact O-N 3.43Å; A324-I780 HydrophobicContact CB-CG1 3.82Å; A324-I780 VanDerWaalsContact O-CG1 3.26Å; A324-I780 WeakPolarHBondContact O-CG1 3.25Å; A324-I800 HydrophobicContact CB-CD1 3.97Å
325	N	88.3	Confident	85.2	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-93.4	-22.5	176.3	-86.6	-93.3	0	0	0	113.3	I289 A293 I321 I322 V323 P327 N776 I780	I289-N325 WeakPolarHBondContact CG2-O 3.35Å; A293-N325 HydrophobicContact CB-CB 3.54Å; I321-N325 PolarHBondContact O-N 2.86Å; I321-N325 VanDerWaalsContact O-N 3.16Å; I321-N325 PolarHBondContact O-ND2 3.05Å; I322-N325 PolarHBondContact O-N 3.3Å; I322-N325 VanDerWaalsContact O-N 3.15Å; V323-N325 PolarHBondContact O-N 3.22Å; N325-P327 WeakPolarHBondContact O-CD 3.15Å; N325-N776 PolarHBondContact O-ND2 2.89Å; N325-N776 VanDerWaalsContact O-ND2 3.13Å; N325-I780 HydrophobicContact CB-CD1 4.35Å; N325-I780 VanDerWaalsContact CG-CD1 3.41Å; N325-I780 WeakPolarHBondContact ND2-CD1 3.32Å; N325-I780 VanDerWaalsContact OD1-CD1 3.23Å; N325-I780 WeakPolarHBondContact OD1-CD1 3.14Å
326	V	86.9	Confident	85.5	Confident	2 Å²	2	11.3 Å²	11.3	1%	0.012	7%	0.065	C	C	.	.	S	Bend	trans	-90.7	113.2	-173.9	174.1	0	0	0	0	108.4	F94 L97 L98 I322 V323 E328	F94-V326 HydrophobicContact CB-CG1 3.87Å; F94-V326 HydrophobicContact CD1-CG1 3.91Å; F94-V326 HydrophobicContact CD1-CG2 4.34Å; F94-V326 HydrophobicContact CG-CG1 3.95Å; L97-V326 HydrophobicContact CB-CG2 4.22Å; L97-V326 HydrophobicContact CD1-CG2 3.79Å; L98-V326 HydrophobicContact CD1-CG1 4.38Å; L98-V326 HydrophobicContact CD2-CB 4.3Å; L98-V326 HydrophobicContact CD2-CG1 3.91Å; L98-V326 HydrophobicContact CG-CG1 4.12Å; I322-V326 WeakPolarHBondContact O-CG2 3.36Å; I322-V326 PolarHBondContact O-N 3.5Å; V323-V326 PolarHBondContact O-N 2.87Å; V323-V326 VanDerWaalsContact O-N 3.11Å; V326-E328 HydrophobicContact CG1-CG 4.46Å; V326-E328 PolarHBondContact O-N 3.38Å
327	P	86.6	Confident	86.1	Confident	2 Å²	2	9.1 Å²	9.1	1%	0.013	5%	0.054	C	C	.	.			trans	-76.6	91.7	-179.5	31.7	-34.8	0	0	0	110.2	F94 F285 N325 G329 L330 T772 L773	F94-P327 HydrophobicContact CE2-CG 4.38Å; F94-P327 HydrophobicContact CZ-CG 4.37Å; F285-P327 HydrophobicContact CZ-CG 4.27Å; N325-P327 WeakPolarHBondContact O-CD 3.15Å; P327-G329 VanDerWaalsContact C-N 3.29Å; P327-G329 PolarHBondContact O-N 3.33Å; P327-L330 HydrophobicContact CB-CB 3.95Å; P327-L330 HydrophobicContact CB-CD2 4.33Å; P327-L330 HydrophobicContact CG-CB 4.07Å; P327-L330 HydrophobicContact CG-CD2 3.89Å; P327-L330 PolarHBondContact O-N 2.82Å; P327-T772 HydrophobicContact CB-CG2 4.04Å; P327-L773 HydrophobicContact CG-CD2 4.36Å
328	E	84.4	Confident	86.4	Confident	7 Å²	7	8.6 Å²	8.6	3%	0.033	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.1	-168.5	-62.8	93.4	160.6	0	0	113.5	L98 V133 V323 V326 L805	L98-E328 HydrophobicContact CD1-CG 4.2Å; L98-E328 HydrophobicContact CD2-CG 4Å; V133-E328 HydrophobicContact CG1-CB 3.92Å; V133-E328 HydrophobicContact CG1-CG 4.16Å; V323-E328 WeakPolarHBondContact CG1-OE1 3.46Å; V326-E328 HydrophobicContact CG1-CG 4.46Å; V326-E328 PolarHBondContact O-N 3.38Å; E328-L805 HydrophobicContact CB-CD1 4.5Å; E328-L805 HydrophobicContact CB-CD2 3.94Å; E328-L805 HydrophobicContact CB-CG 4.3Å
329	G	84.6	Confident	86.6	Confident	2 Å²	2	10.1 Å²	10.1	2%	0.021	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.7	178.9	0	0	0	0	0	114.4	P327 L331 A332 T333	P327-G329 VanDerWaalsContact C-N 3.29Å; P327-G329 PolarHBondContact O-N 3.33Å; G329-L331 PolarHBondContact O-N 2.91Å; G329-A332 PolarHBondContact O-N 3.44Å; G329-T333 PolarHBondContact O-N 3.38Å; G329-T333 PolarHBondContact O-OG1 3.03Å
330	L	87	Confident	87	Confident	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-67.9	-41.4	-163.8	-175.3	59.1	0	0	0	113.8	F285 P327 A332 T333 V334 I769 T772	F285-L330 HydrophobicContact CE1-CD2 3.38Å; F285-L330 HydrophobicContact CE1-CG 4.46Å; F285-L330 HydrophobicContact CE2-CD2 4.39Å; F285-L330 HydrophobicContact CZ-CD2 3.26Å; P327-L330 HydrophobicContact CB-CB 3.95Å; P327-L330 HydrophobicContact CB-CD2 4.33Å; P327-L330 HydrophobicContact CG-CB 4.07Å; P327-L330 HydrophobicContact CG-CD2 3.89Å; P327-L330 PolarHBondContact O-N 2.82Å; L330-A332 VanDerWaalsContact C-N 3.29Å; L330-A332 PolarHBondContact O-N 3.43Å; L330-T333 WeakPolarHBondContact O-CB 3.31Å; L330-T333 PolarHBondContact O-N 3.2Å; L330-V334 HydrophobicContact CD1-CG2 4.35Å; L330-V334 HydrophobicContact CG-CG2 4.46Å; L330-V334 WeakPolarHBondContact O-CG2 3.5Å; L330-V334 PolarHBondContact O-N 2.5Å; L330-I769 HydrophobicContact CD1-CB 4.49Å; L330-I769 HydrophobicContact CD1-CG1 3.9Å; L330-I769 HydrophobicContact CD2-CG1 4.32Å; L330-I769 HydrophobicContact CD2-CG2 4.27Å; L330-T772 HydrophobicContact CB-CG2 4.28Å; L330-T772 HydrophobicContact CD1-CG2 4.28Å
331	L	82.9	Confident	87.4	Confident	32 Å²	32	11.8 Å²	11.8	17%	0.168	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-37.8	178	-70	177.1	0	0	0	111.8	F94 I282 G329 T335	F94-L331 HydrophobicContact CD2-CD1 4.17Å; F94-L331 HydrophobicContact CD2-CG 4.36Å; I282-L331 HydrophobicContact CG2-CD2 4.14Å; G329-L331 PolarHBondContact O-N 2.91Å; L331-T335 WeakPolarHBondContact O-CB 3.48Å; L331-T335 PolarHBondContact O-N 3.25Å; L331-T335 VanDerWaalsContact O-N 3.08Å; L331-T335 PolarHBondContact O-OG1 3.29Å
332	A	85.4	Confident	87.5	Confident	17 Å²	17	12.3 Å²	12.3	14%	0.14	7%	0.074	C	C	.	.	H	α-helix	trans	-65.7	-44.1	174.6	0	0	0	0	0	110.6	G329 L330 T335 V336	G329-A332 PolarHBondContact O-N 3.44Å; L330-A332 VanDerWaalsContact C-N 3.29Å; L330-A332 PolarHBondContact O-N 3.43Å; A332-T335 WeakPolarHBondContact O-CB 3.31Å; A332-T335 PolarHBondContact O-N 2.82Å; A332-V336 WeakPolarHBondContact O-CG2 3.46Å; A332-V336 PolarHBondContact O-N 3.35Å
333	T	90.3	Very high	87.7	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-57	-52	174.8	-63.3	0	0	0	0	111.6	G329 L330 T335 V336 C337 S768 A812 I813	G329-T333 PolarHBondContact O-N 3.38Å; G329-T333 PolarHBondContact O-OG1 3.03Å; L330-T333 WeakPolarHBondContact O-CB 3.31Å; L330-T333 PolarHBondContact O-N 3.2Å; T333-T335 VanDerWaalsContact C-N 3.29Å; T333-T335 PolarHBondContact O-N 2.87Å; T333-V336 PolarHBondContact O-N 3.07Å; T333-V336 VanDerWaalsContact O-N 3.16Å; T333-C337 WeakPolarHBondContact O-CB 3.44Å; T333-C337 PolarHBondContact O-N 3.47Å; T333-C337 PolarHBondContact O-SG 3.14Å; T333-S768 WeakPolarHBondContact CG2-OG 3.39Å; T333-A812 HydrophobicContact CG2-CB 3.74Å; T333-I813 HydrophobicContact CG2-CG1 4.02Å
334	V	89.2	Confident	88	Confident	10 Å²	10	22.2 Å²	22.2	6%	0.061	12%	0.115	C	C	.	.	H	α-helix	trans	-56.6	-44.3	178.4	173.8	0	0	0	0	111.1	I282 L330 V336 C337 L338 L765	I282-V334 HydrophobicContact CD1-CG1 4.08Å; L330-V334 HydrophobicContact CD1-CG2 4.35Å; L330-V334 HydrophobicContact CG-CG2 4.46Å; L330-V334 WeakPolarHBondContact O-CG2 3.5Å; L330-V334 PolarHBondContact O-N 2.5Å; V334-V336 PolarHBondContact O-N 3.5Å; V334-C337 PolarHBondContact O-N 3.48Å; V334-L338 HydrophobicContact CG1-CD1 4.05Å; V334-L338 WeakPolarHBondContact O-CG 3.47Å; V334-L338 PolarHBondContact O-N 2.88Å; V334-L765 HydrophobicContact CB-CD2 4.36Å; V334-L765 HydrophobicContact CG1-CD2 4.13Å; V334-L765 HydrophobicContact CG2-CD2 4.16Å
335	T	86.5	Confident	88.1	Confident	8 Å²	8	22.2 Å²	22.2	5%	0.049	12%	0.115	C	C	.	.	H	α-helix	trans	-61.7	-44.4	178.5	-54.7	0	0	0	0	111.8	Q144 L331 A332 T333 T339	Q144-T335 PolarHBondContact OE1-OG1 3.2Å; L331-T335 WeakPolarHBondContact O-CB 3.48Å; L331-T335 PolarHBondContact O-N 3.25Å; L331-T335 VanDerWaalsContact O-N 3.08Å; L331-T335 PolarHBondContact O-OG1 3.29Å; A332-T335 WeakPolarHBondContact O-CB 3.31Å; A332-T335 PolarHBondContact O-N 2.82Å; T333-T335 VanDerWaalsContact C-N 3.29Å; T333-T335 PolarHBondContact O-N 2.87Å; T335-T339 WeakPolarHBondContact O-CB 3.45Å; T335-T339 PolarHBondContact O-N 2.91Å; T335-T339 PolarHBondContact O-OG1 3.13Å
336	V	89.8	Confident	88.1	Confident	44 Å²	44	24.1 Å²	24.1	27%	0.267	13%	0.13	S	C	.	.	H	α-helix	trans	-66.5	-43.7	177.7	174.4	0	0	0	0	110.5	A332 T333 V334 L338 T339 L340 I813	A332-V336 WeakPolarHBondContact O-CG2 3.46Å; A332-V336 PolarHBondContact O-N 3.35Å; T333-V336 PolarHBondContact O-N 3.07Å; T333-V336 VanDerWaalsContact O-N 3.16Å; V334-V336 PolarHBondContact O-N 3.5Å; V336-L338 PolarHBondContact O-N 3.05Å; V336-T339 WeakPolarHBondContact O-CB 3.44Å; V336-T339 PolarHBondContact O-N 3Å; V336-T339 VanDerWaalsContact O-N 3.14Å; V336-L340 HydrophobicContact CG1-CD1 4.12Å; V336-L340 HydrophobicContact CG1-CG 4.31Å; V336-L340 VanDerWaalsContact O-CG 3.31Å; V336-L340 WeakPolarHBondContact O-CG 3.29Å; V336-L340 PolarHBondContact O-N 2.74Å; V336-I813 HydrophobicContact CB-CD1 4.28Å; V336-I813 HydrophobicContact CB-CG1 4.35Å; V336-I813 HydrophobicContact CG1-CD1 4.01Å; V336-I813 HydrophobicContact CG1-CG1 4.16Å; V336-I813 HydrophobicContact CG1-CG2 3.84Å
337	C	92.4	Very high	88.1	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-56.6	-48.3	176.5	-67	0	0	0	0	111.6	T333 V334 T339 L340 T341 I761 L765 A816	T333-C337 WeakPolarHBondContact O-CB 3.44Å; T333-C337 PolarHBondContact O-N 3.47Å; T333-C337 PolarHBondContact O-SG 3.14Å; V334-C337 PolarHBondContact O-N 3.48Å; C337-T339 VanDerWaalsContact C-N 3.34Å; C337-T339 PolarHBondContact O-N 3.16Å; C337-L340 PolarHBondContact O-N 2.8Å; C337-T341 PolarHBondContact O-N 3.06Å; C337-T341 VanDerWaalsContact O-N 3.15Å; C337-T341 PolarHBondContact O-OG1 3.08Å; C337-I761 HydrophobicContact CB-CD1 4.16Å; C337-L765 HydrophobicContact CB-CD2 3.85Å; C337-A816 HydrophobicContact CB-CB 3.9Å
338	L	90.8	Very high	88.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-38.6	175.9	-68.8	169.5	0	0	0	112.1	V334 V336 L340 T341 A342 L355 I761 L765	V334-L338 HydrophobicContact CG1-CD1 4.05Å; V334-L338 WeakPolarHBondContact O-CG 3.47Å; V334-L338 PolarHBondContact O-N 2.88Å; V336-L338 PolarHBondContact O-N 3.05Å; L338-L340 PolarHBondContact O-N 2.84Å; L338-T341 PolarHBondContact O-N 3.46Å; L338-A342 WeakPolarHBondContact O-CB 3.23Å; L338-A342 PolarHBondContact O-N 2.84Å; L338-L355 HydrophobicContact CB-CB 4.41Å; L338-I761 HydrophobicContact CD2-CG1 4.16Å; L338-L765 HydrophobicContact CD2-CD1 4.35Å
339	T	88.5	Confident	88.2	Confident	60 Å²	60	35.4 Å²	35.4	37%	0.368	19%	0.194	S	C	.	.	H	α-helix	trans	-63	-41.2	176.8	-60	0	0	0	0	112	T335 V336 C337 A342 K343	T335-T339 WeakPolarHBondContact O-CB 3.45Å; T335-T339 PolarHBondContact O-N 2.91Å; T335-T339 PolarHBondContact O-OG1 3.13Å; V336-T339 WeakPolarHBondContact O-CB 3.44Å; V336-T339 PolarHBondContact O-N 3Å; V336-T339 VanDerWaalsContact O-N 3.14Å; C337-T339 VanDerWaalsContact C-N 3.34Å; C337-T339 PolarHBondContact O-N 3.16Å; T339-A342 PolarHBondContact O-N 3.18Å; T339-K343 WeakPolarHBondContact O-CB 3.35Å; T339-K343 PolarHBondContact O-N 3.24Å
340	L	90.8	Very high	88.4	Confident	41 Å²	41	35.4 Å²	35.4	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-43.2	177.3	-69.6	174.6	0	0	0	111.5	V336 C337 L338 K343 R344 I813 Y817	V336-L340 HydrophobicContact CG1-CD1 4.12Å; V336-L340 HydrophobicContact CG1-CG 4.31Å; V336-L340 VanDerWaalsContact O-CG 3.31Å; V336-L340 WeakPolarHBondContact O-CG 3.29Å; V336-L340 PolarHBondContact O-N 2.74Å; C337-L340 PolarHBondContact O-N 2.8Å; L338-L340 PolarHBondContact O-N 2.84Å; L340-K343 PolarHBondContact O-N 2.72Å; L340-R344 PolarHBondContact O-N 3.14Å; L340-I813 HydrophobicContact CD1-CG2 3.89Å; L340-Y817 HydrophobicContact CD1-CD2 4.47Å; L340-Y817 HydrophobicContact CD1-CE2 3.58Å; L340-Y817 WeakPolarHBondContact CD2-OH 3.42Å
341	T	91.6	Very high	88.5	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-43	175.9	-51.9	0	0	0	0	111.5	C337 L338 K343 R344 M345 V358 E757 I761	C337-T341 PolarHBondContact O-N 3.06Å; C337-T341 VanDerWaalsContact O-N 3.15Å; C337-T341 PolarHBondContact O-OG1 3.08Å; L338-T341 PolarHBondContact O-N 3.46Å; T341-K343 VanDerWaalsContact C-N 3.28Å; T341-K343 PolarHBondContact O-N 2.88Å; T341-R344 WeakPolarHBondContact O-CB 3.45Å; T341-R344 PolarHBondContact O-N 3.03Å; T341-M345 HydrophobicContact CG2-CE 4.06Å; T341-M345 PolarHBondContact O-N 2.98Å; T341-V358 HydrophobicContact CG2-CG1 3.36Å; T341-E757 HydrophobicContact CG2-CB 4.17Å; T341-I761 HydrophobicContact CG2-CB 4.2Å; T341-I761 HydrophobicContact CG2-CG2 4.46Å; T341-I761 WeakPolarHBondContact OG1-CD1 3.33Å
342	A	88.9	Confident	88.6	Confident	11 Å²	11	37.1 Å²	37.1	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-39.8	174.9	0	0	0	0	0	112	L338 T339 R344 M345 A346 V352 L355 V358	L338-A342 WeakPolarHBondContact O-CB 3.23Å; L338-A342 PolarHBondContact O-N 2.84Å; T339-A342 PolarHBondContact O-N 3.18Å; A342-R344 VanDerWaalsContact C-N 3.35Å; A342-M345 PolarHBondContact O-N 2.61Å; A342-A346 WeakPolarHBondContact O-CB 3.48Å; A342-A346 PolarHBondContact O-N 3.31Å; A342-V352 HydrophobicContact CB-CB 4.49Å; A342-L355 HydrophobicContact CB-CD2 3.64Å; A342-V358 HydrophobicContact CB-CG2 3.9Å
343	K	87.6	Confident	88.5	Confident	158 Å²	158	37.5 Å²	37.5	69%	0.687	20%	0.201	S	C	*	.	H	α-helix	trans	-65.6	-37.7	175.2	-170.7	178.7	-179.2	179.8	0	112	T339 L340 T341 A346 S347	T339-K343 WeakPolarHBondContact O-CB 3.35Å; T339-K343 PolarHBondContact O-N 3.24Å; L340-K343 PolarHBondContact O-N 2.72Å; T341-K343 VanDerWaalsContact C-N 3.28Å; T341-K343 PolarHBondContact O-N 2.88Å; K343-A346 PolarHBondContact O-N 3.05Å; K343-S347 PolarHBondContact O-N 3.37Å; K343-S347 VanDerWaalsContact O-N 3.11Å
344	R	88.8	Confident	88	Confident	65 Å²	65	38.7 Å²	38.7	25%	0.245	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-44.3	175.3	-168.1	-170.6	-65.6	167.3	-1.5	111.3	L340 T341 A342 A346 S347 K348 E757	L340-R344 PolarHBondContact O-N 3.14Å; T341-R344 WeakPolarHBondContact O-CB 3.45Å; T341-R344 PolarHBondContact O-N 3.03Å; A342-R344 VanDerWaalsContact C-N 3.35Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 3.4Å; R344-S347 PolarHBondContact O-N 3.33Å; R344-S347 PolarHBondContact O-OG 2.79Å; R344-K348 PolarHBondContact O-N 3.13Å; R344-E757 WeakPolarHBondContact CD-OE1 3.45Å; R344-E757 VanDerWaalsContact CD-OE2 3.27Å; R344-E757 WeakPolarHBondContact CD-OE2 3.28Å; R344-E757 IonicContact CZ-OE2 2.63Å; R344-E757 IonicContact NE-OE2 2.9Å; R344-E757 IonicContact NH1-OE2 3.38Å; R344-E757 PolarHBondContact NH1-OE2 3.2Å
345	M	88.7	Confident	87.8	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-43.2	173.3	-70.4	179.6	179.7	0	0	111.8	T341 A342 S347 K348 C350 V352 V358 M741 E757	T341-M345 HydrophobicContact CG2-CE 4.06Å; T341-M345 PolarHBondContact O-N 2.98Å; A342-M345 PolarHBondContact O-N 2.61Å; M345-S347 VanDerWaalsContact C-N 3.27Å; M345-S347 PolarHBondContact O-N 3.43Å; M345-K348 CarbonylContact O-C 3.45Å; M345-K348 WeakPolarHBondContact O-CA 3.48Å; M345-K348 PolarHBondContact O-N 3.24Å; M345-C350 CarbonylContact C-O 3.54Å; M345-C350 HydrophobicContact CB-CB 4.21Å; M345-C350 PolarHBondContact O-N 3.01Å; M345-V352 HydrophobicContact CB-CG2 4.4Å; M345-V352 HydrophobicContact SD-CG2 3.82Å; M345-V358 HydrophobicContact CE-CB 4.09Å; M345-V358 HydrophobicContact CE-CG1 3.32Å; M345-V358 HydrophobicContact SD-CB 4.33Å; M345-V358 HydrophobicContact SD-CG1 3.91Å; M345-V358 HydrophobicContact SD-CG2 4.16Å; M345-M741 HydrophobicContact SD-CE 4.33Å; M345-E757 HydrophobicContact CE-CB 3.5Å; M345-E757 VanDerWaalsContact CE-CB 3.5Å; M345-E757 HydrophobicContact CG-CB 4.31Å; M345-E757 HydrophobicContact CG-CG 4.45Å
346	A	88	Confident	87.8	Confident	39 Å²	39	39.5 Å²	39.5	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-34.1	177.9	0	0	0	0	0	112.6	A342 K343 R344 K348 N349 C350	A342-A346 WeakPolarHBondContact O-CB 3.48Å; A342-A346 PolarHBondContact O-N 3.31Å; K343-A346 PolarHBondContact O-N 3.05Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 3.4Å; A346-K348 PolarHBondContact O-N 2.78Å; A346-N349 PolarHBondContact O-N 2.66Å; A346-N349 VanDerWaalsContact O-N 3.15Å; A346-C350 VanDerWaalsContact CA-O 3.25Å; A346-C350 WeakPolarHBondContact CA-O 3.45Å; A346-C350 PolarHBondContact N-O 2.85Å; A346-C350 VanDerWaalsContact N-O 3.1Å
347	S	88.4	Confident	87.6	Confident	91 Å²	91	37.5 Å²	37.5	64%	0.636	20%	0.198	S	C	*	.	H	α-helix	trans	-66.6	-18.1	173.4	75.5	0	0	0	0	113.8	K343 R344 M345	K343-S347 PolarHBondContact O-N 3.37Å; K343-S347 VanDerWaalsContact O-N 3.11Å; R344-S347 PolarHBondContact O-N 3.33Å; R344-S347 PolarHBondContact O-OG 2.79Å; M345-S347 VanDerWaalsContact C-N 3.27Å; M345-S347 PolarHBondContact O-N 3.43Å
348	K	86.9	Confident	87.5	Confident	84 Å²	84	37.4 Å²	37.4	37%	0.365	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	30.7	174.1	-57.7	-179.8	-177.8	171.5	0	111.4	R344 M345 A346 C350 T753 E757	R344-K348 PolarHBondContact O-N 3.13Å; M345-K348 CarbonylContact O-C 3.45Å; M345-K348 WeakPolarHBondContact O-CA 3.48Å; M345-K348 PolarHBondContact O-N 3.24Å; A346-K348 PolarHBondContact O-N 2.78Å; K348-C350 PolarHBondContact O-N 3.32Å; K348-C350 VanDerWaalsContact O-N 3.09Å; K348-T753 HydrophobicContact CB-CG2 4.49Å; K348-T753 HydrophobicContact CD-CG2 3.35Å; K348-E757 IonicContact NZ-OE1 2.59Å; K348-E757 PolarHBondContact NZ-OE1 2.97Å
349	N	85.8	Confident	87.6	Confident	74 Å²	74	37.4 Å²	37.4	40%	0.396	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	14.4	179.6	-57.4	-38	0	0	0	116	A346 L744 D745	A346-N349 PolarHBondContact O-N 2.66Å; A346-N349 VanDerWaalsContact O-N 3.15Å; N349-L744 HydrophobicContact CB-CB 4.21Å; N349-L744 WeakPolarHBondContact O-CB 3.35Å; N349-L744 PolarHBondContact O-N 2.9Å; N349-D745 HydrophobicContact CB-CB 3.94Å; N349-D745 WeakPolarHBondContact CB-OD2 3.33Å; N349-D745 PolarHBondContact ND2-OD2 3.06Å; N349-D745 VanDerWaalsContact ND2-OD2 3.13Å
350	C	87.8	Confident	87.8	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	98.8	177	-176.8	0	0	0	0	109.7	M345 A346 K348 M741	M345-C350 CarbonylContact C-O 3.54Å; M345-C350 HydrophobicContact CB-CB 4.21Å; M345-C350 PolarHBondContact O-N 3.01Å; A346-C350 VanDerWaalsContact CA-O 3.25Å; A346-C350 WeakPolarHBondContact CA-O 3.45Å; A346-C350 PolarHBondContact N-O 2.85Å; A346-C350 VanDerWaalsContact N-O 3.1Å; K348-C350 PolarHBondContact O-N 3.32Å; K348-C350 VanDerWaalsContact O-N 3.09Å; C350-M741 VanDerWaalsContact SG-CG 3.59Å; C350-M741 PolarHBondContact SG-SD 3.15Å
351	L	88.8	Confident	87.9	Confident	63 Å²	63	32.6 Å²	32.6	33%	0.33	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.8	-177	178.2	67.2	0	0	0	110.7	M741 I742 L744	L351-M741 CarbonylContact O-C 3.5Å; L351-M741 WeakPolarHBondContact O-CA 3.02Å; L351-I742 HydrophobicContact CB-CB 4.41Å; L351-I742 PolarHBondContact N-O 3.5Å; L351-I742 PolarHBondContact O-N 3.43Å; L351-L744 HydrophobicContact CB-CD1 4.15Å; L351-L744 HydrophobicContact CB-CD2 4.14Å; L351-L744 HydrophobicContact CB-CG 4.05Å; L351-L744 HydrophobicContact CD2-CD2 4.24Å
352	V	86.6	Confident	87.9	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.7	177.9	-167.8	0	0	0	0	110.9	A342 M345 N354 A357 V358 M741	A342-V352 HydrophobicContact CB-CB 4.49Å; M345-V352 HydrophobicContact CB-CG2 4.4Å; M345-V352 HydrophobicContact SD-CG2 3.82Å; V352-N354 WeakPolarHBondContact CG1-O 3.49Å; V352-A357 HydrophobicContact CG1-CB 4.14Å; V352-V358 HydrophobicContact CB-CG2 4.32Å; V352-V358 HydrophobicContact CG1-CG2 3.92Å; V352-V358 HydrophobicContact CG2-CG2 4.09Å; V352-M741 HydrophobicContact CG2-CE 3.91Å
353	K	82.3	Confident	88.2	Confident	26 Å²	26	32.2 Å²	32.2	11%	0.113	17%	0.168	C	C	.	.	S	Bend	trans	-85.3	-45.7	175.7	-68.3	169	59.9	-165.3	0	111.3	K736 Q737 A739 D740 I742	K353-K736 PolarHBondContact NZ-O 3.39Å; K353-Q737 VanDerWaalsContact NZ-C 3.33Å; K353-Q737 PolarHBondContact NZ-O 2.71Å; K353-A739 WeakPolarHBondContact CD-O 3.33Å; K353-A739 WeakPolarHBondContact CE-O 3.4Å; K353-A739 PolarHBondContact NZ-O 3.37Å; K353-D740 WeakPolarHBondContact CB-O 3.5Å; K353-D740 PolarHBondContact N-O 3.41Å; K353-I742 HydrophobicContact CD-CD1 3.95Å; K353-I742 HydrophobicContact CD-CG1 4.31Å
354	N	80.5	Confident	88.6	Confident	26 Å²	26	24.7 Å²	24.7	14%	0.139	14%	0.135	C	C	.	.	S	Bend	trans	-103.5	117.9	175.4	-176.3	-3.6	0	0	0	110.8	V352 E356 A357 D740	V352-N354 WeakPolarHBondContact CG1-O 3.49Å; N354-E356 PolarHBondContact O-N 3.24Å; N354-E356 VanDerWaalsContact O-N 3.08Å; N354-E356 PolarHBondContact OD1-N 2.61Å; N354-E356 VanDerWaalsContact OD1-N 3.15Å; N354-A357 HydrophobicContact CB-CB 4.35Å; N354-A357 VanDerWaalsContact O-CB 3.24Å; N354-A357 WeakPolarHBondContact O-CB 3.14Å; N354-A357 PolarHBondContact O-N 2.96Å; N354-D740 HydrophobicContact CB-CB 4.5Å
355	L	83.9	Confident	88.9	Confident	13 Å²	13	23 Å²	23	7%	0.068	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.9	-177.5	-66.4	177.1	0	0	0	113.6	Q144 L338 A342 A357 V358	Q144-L355 HydrophobicContact CB-CD1 4.21Å; Q144-L355 HydrophobicContact CG-CB 4.22Å; Q144-L355 HydrophobicContact CG-CD1 4.1Å; L338-L355 HydrophobicContact CB-CB 4.41Å; A342-L355 HydrophobicContact CB-CD2 3.64Å; L355-A357 VanDerWaalsContact C-N 3.33Å; L355-V358 WeakPolarHBondContact O-CB 3.26Å; L355-V358 WeakPolarHBondContact O-CG2 3.19Å
356	E	86.3	Confident	89.3	Confident	23 Å²	23	23.5 Å²	23.5	11%	0.107	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.7	177.1	-63.8	-175.1	172.2	0	0	113.1	Q144 T276 I278 H279 N354 V358 E359 T360	Q144-E356 PolarHBondContact NE2-OE1 3.04Å; T276-E356 HydrophobicContact CG2-CB 3.96Å; T276-E356 WeakPolarHBondContact CG2-OE2 3.45Å; T276-E356 PolarHBondContact OG1-OE2 3.42Å; I278-E356 HydrophobicContact CG2-CB 3.51Å; I278-E356 HydrophobicContact CG2-CG 3.82Å; H279-E356 IonicContact ND1-OE1 3.05Å; H279-E356 PolarHBondContact ND1-OE1 2.61Å; N354-E356 PolarHBondContact O-N 3.24Å; N354-E356 VanDerWaalsContact O-N 3.08Å; N354-E356 PolarHBondContact OD1-N 2.61Å; N354-E356 VanDerWaalsContact OD1-N 3.15Å; E356-V358 PolarHBondContact O-N 3.15Å; E356-E359 PolarHBondContact O-N 3.4Å; E356-T360 PolarHBondContact O-N 3.3Å; E356-T360 PolarHBondContact O-OG1 2.82Å; E356-T360 VanDerWaalsContact O-OG1 3.14Å
357	A	87.3	Confident	89.8	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-22.2	179.1	0	0	0	0	0	112.5	V352 N354 L355 E359 T360 L361 I723 D740	V352-A357 HydrophobicContact CG1-CB 4.14Å; N354-A357 HydrophobicContact CB-CB 4.35Å; N354-A357 VanDerWaalsContact O-CB 3.24Å; N354-A357 WeakPolarHBondContact O-CB 3.14Å; N354-A357 PolarHBondContact O-N 2.96Å; L355-A357 VanDerWaalsContact C-N 3.33Å; A357-E359 VanDerWaalsContact C-N 3.3Å; A357-E359 PolarHBondContact O-N 2.96Å; A357-T360 PolarHBondContact O-N 3.03Å; A357-L361 PolarHBondContact O-N 3.16Å; A357-I723 HydrophobicContact CB-CD1 3.9Å; A357-I723 HydrophobicContact CB-CG1 4.09Å; A357-I723 VanDerWaalsContact O-CD1 3.31Å; A357-I723 WeakPolarHBondContact O-CD1 3.2Å; A357-D740 HydrophobicContact CB-CB 3.82Å
358	V	88.4	Confident	90.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-53.1	-47.5	174.4	176.6	0	0	0	0	111.2	T341 A342 M345 V352 L355 E356 G758 I761	T341-V358 HydrophobicContact CG2-CG1 3.36Å; A342-V358 HydrophobicContact CB-CG2 3.9Å; M345-V358 HydrophobicContact CE-CB 4.09Å; M345-V358 HydrophobicContact CE-CG1 3.32Å; M345-V358 HydrophobicContact SD-CB 4.33Å; M345-V358 HydrophobicContact SD-CG1 3.91Å; M345-V358 HydrophobicContact SD-CG2 4.16Å; V352-V358 HydrophobicContact CB-CG2 4.32Å; V352-V358 HydrophobicContact CG1-CG2 3.92Å; V352-V358 HydrophobicContact CG2-CG2 4.09Å; L355-V358 WeakPolarHBondContact O-CB 3.26Å; L355-V358 WeakPolarHBondContact O-CG2 3.19Å; E356-V358 PolarHBondContact O-N 3.15Å; V358-G758 WeakPolarHBondContact O-CA 3.34Å; V358-I761 HydrophobicContact CG1-CG2 4.18Å
359	E	93.1	Very high	90.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-79.9	-35.5	-179	-179.1	-81.9	162.6	0	0	111.7	I278 E356 A357 L361 G362 S363 I761 F762 R830	I278-E359 HydrophobicContact CB-CB 4.23Å; I278-E359 HydrophobicContact CB-CG 4.25Å; I278-E359 WeakPolarHBondContact CB-OE2 3.48Å; I278-E359 HydrophobicContact CD1-CG 4.35Å; I278-E359 PolarHBondContact N-OE2 3.03Å; E356-E359 PolarHBondContact O-N 3.4Å; A357-E359 VanDerWaalsContact C-N 3.3Å; A357-E359 PolarHBondContact O-N 2.96Å; E359-L361 PolarHBondContact O-N 3Å; E359-L361 VanDerWaalsContact O-N 3.16Å; E359-G362 WeakPolarHBondContact O-CA 3.44Å; E359-G362 PolarHBondContact O-N 3.21Å; E359-S363 PolarHBondContact O-N 3.24Å; E359-S363 PolarHBondContact OE1-OG 3.47Å; E359-I761 HydrophobicContact CB-CG2 4.22Å; E359-F762 HydrophobicContact CG-CB 4.24Å; E359-F762 HydrophobicContact CG-CD2 4.06Å; E359-F762 WeakPolarHBondContact OE1-CD2 3.35Å; E359-R830 IonicContact OE1-CZ 2.71Å; E359-R830 IonicContact OE1-NE 3.95Å; E359-R830 PolarHBondContact OE1-NE 3.31Å; E359-R830 IonicContact OE1-NH2 3.03Å; E359-R830 PolarHBondContact OE1-NH2 3.12Å; E359-R830 IonicContact OE2-NH2 2.72Å
360	T	93.6	Very high	91	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-56.5	-37.3	-176.3	-55.2	0	0	0	0	111.6	P277 E356 A357 G362 S363 T364 I704 D722 I723	P277-T360 HydrophobicContact CG-CG2 3.99Å; E356-T360 PolarHBondContact O-N 3.3Å; E356-T360 PolarHBondContact O-OG1 2.82Å; E356-T360 VanDerWaalsContact O-OG1 3.14Å; A357-T360 PolarHBondContact O-N 3.03Å; T360-G362 VanDerWaalsContact C-N 3.32Å; T360-G362 PolarHBondContact O-N 3.32Å; T360-S363 CarbonylContact O-C 3.59Å; T360-S363 PolarHBondContact O-N 3.25Å; T360-T364 PolarHBondContact O-N 3.39Å; T360-T364 PolarHBondContact O-OG1 3.47Å; T360-I704 HydrophobicContact CG2-CG2 4.05Å; T360-D722 HydrophobicContact CG2-CB 3.84Å; T360-I723 HydrophobicContact CG2-CB 3.82Å; T360-I723 HydrophobicContact CG2-CG2 3.92Å
361	L	92.2	Very high	91.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.4	-33.8	176	-165.1	55.2	0	0	0	112.9	A357 E359 S363 T364 A706 I723 M741 I751 V755	A357-L361 PolarHBondContact O-N 3.16Å; E359-L361 PolarHBondContact O-N 3Å; E359-L361 VanDerWaalsContact O-N 3.16Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 3.48Å; L361-T364 WeakPolarHBondContact CA-OG1 3.49Å; L361-T364 VanDerWaalsContact O-CB 3.32Å; L361-T364 WeakPolarHBondContact O-CB 3.3Å; L361-T364 PolarHBondContact O-N 3.11Å; L361-T364 PolarHBondContact O-OG1 3.36Å; L361-A706 HydrophobicContact CD1-CB 4.32Å; L361-I723 HydrophobicContact CB-CD1 3.87Å; L361-I723 HydrophobicContact CD1-CD1 4.37Å; L361-I723 HydrophobicContact CD1-CG2 4.42Å; L361-M741 HydrophobicContact CD2-CE 3.88Å; L361-M741 HydrophobicContact CD2-SD 3.78Å; L361-I751 HydrophobicContact CD1-CG2 4.3Å; L361-V755 HydrophobicContact CD1-CG2 4.17Å; L361-V755 HydrophobicContact CG-CG2 3.94Å
362	G	92.5	Very high	91	Very high	3 Å²	3	7.3 Å²	7.3	3%	0.031	4%	0.041	C	C	.	.	H	α-helix	trans	-69.7	-29.2	174.4	0	0	0	0	0	113.8	E359 T360 V755 R759	E359-G362 WeakPolarHBondContact O-CA 3.44Å; E359-G362 PolarHBondContact O-N 3.21Å; T360-G362 VanDerWaalsContact C-N 3.32Å; T360-G362 PolarHBondContact O-N 3.32Å; G362-V755 WeakPolarHBondContact CA-O 3.38Å; G362-R759 VanDerWaalsContact O-CG 3.23Å; G362-R759 WeakPolarHBondContact O-CG 3.46Å; G362-R759 PolarHBondContact O-NE 3.39Å
363	S	94	Very high	91	Very high	3 Å²	3	7 Å²	7	2%	0.021	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.6	177.3	-65.8	0	0	0	0	113.6	E359 T360 L361 S365 I704 R830	E359-S363 PolarHBondContact O-N 3.24Å; E359-S363 PolarHBondContact OE1-OG 3.47Å; T360-S363 CarbonylContact O-C 3.59Å; T360-S363 PolarHBondContact O-N 3.25Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 3.48Å; S363-S365 PolarHBondContact O-N 3.32Å; S363-I704 WeakPolarHBondContact O-CB 3.5Å; S363-R830 PolarHBondContact OG-NE 3.42Å; S363-R830 PolarHBondContact OG-NH2 3.32Å
364	T	96.4	Very high	91.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.034	C	C	.	.			trans	-64.7	131.1	-178.8	-65.7	0	0	0	0	110.9	T360 L361 T366 I367 I604 A706 P829	T360-T364 PolarHBondContact O-N 3.39Å; T360-T364 PolarHBondContact O-OG1 3.47Å; L361-T364 WeakPolarHBondContact CA-OG1 3.49Å; L361-T364 VanDerWaalsContact O-CB 3.32Å; L361-T364 WeakPolarHBondContact O-CB 3.3Å; L361-T364 PolarHBondContact O-N 3.11Å; L361-T364 PolarHBondContact O-OG1 3.36Å; T364-T366 VanDerWaalsContact CG2-O 3.29Å; T364-T366 WeakPolarHBondContact CG2-O 3.45Å; T364-I367 HydrophobicContact CG2-CG1 3.91Å; T364-I604 HydrophobicContact CG2-CG2 4.43Å; T364-A706 HydrophobicContact CG2-CB 3.58Å; T364-P829 WeakPolarHBondContact O-CB 3.35Å; T364-P829 WeakPolarHBondContact O-CG 3.31Å
365	S	96.1	Very high	91.9	Very high	29 Å²	29	4.6 Å²	4.6	20%	0.203	3%	0.027	C	C	.	.			trans	-111.7	-25.5	179.1	61.9	0	0	0	0	112.8	S363 I604 K605 A703 I704	S363-S365 PolarHBondContact O-N 3.32Å; S365-I604 WeakPolarHBondContact O-CA 3.36Å; S365-K605 PolarHBondContact O-N 3.17Å; S365-A703 WeakPolarHBondContact OG-CA 3.47Å; S365-A703 WeakPolarHBondContact OG-CB 3.4Å; S365-I704 PolarHBondContact N-O 3.11Å; S365-I704 PolarHBondContact OG-N 2.62Å; S365-I704 PolarHBondContact OG-O 3.23Å; S365-I704 VanDerWaalsContact OG-O 3.1Å
366	T	97	Very high	92.3	Very high	11 Å²	11	4 Å²	4	7%	0.067	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.8	176.7	-58.6	0	0	0	0	110.2	T364 K605 I607 I704 V705 A706	T364-T366 VanDerWaalsContact CG2-O 3.29Å; T364-T366 WeakPolarHBondContact CG2-O 3.45Å; T366-K605 CarbonylContact C-O 3.49Å; T366-K605 VanDerWaalsContact CA-O 3.24Å; T366-K605 WeakPolarHBondContact CA-O 3.27Å; T366-K605 HydrophobicContact CG2-CB 4.4Å; T366-I607 HydrophobicContact CG2-CD1 3.75Å; T366-I607 HydrophobicContact CG2-CG1 4.16Å; T366-I704 PolarHBondContact N-O 3.46Å; T366-I704 VanDerWaalsContact N-O 3.15Å; T366-V705 WeakPolarHBondContact O-CA 3.39Å; T366-A706 PolarHBondContact O-N 3.41Å
367	I	97.3	Very high	92.4	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.2	171.1	-65.8	166.9	0	0	0	108.1	T364 C599 I604 K605 V606 I607 A706 T708 I751	T364-I367 HydrophobicContact CG2-CG1 3.91Å; I367-C599 HydrophobicContact CD1-CB 4.32Å; I367-I604 HydrophobicContact CB-CG2 4.43Å; I367-I604 HydrophobicContact CD1-CG2 3.73Å; I367-I604 HydrophobicContact CG1-CG2 3.71Å; I367-K605 PolarHBondContact N-O 3.48Å; I367-V606 WeakPolarHBondContact O-CA 3.29Å; I367-I607 PolarHBondContact O-N 2.7Å; I367-A706 CarbonylContact C-O 3.47Å; I367-A706 WeakPolarHBondContact CA-O 3.42Å; I367-A706 HydrophobicContact CG1-CB 4.2Å; I367-T708 HydrophobicContact CG2-CG2 4.44Å; I367-I751 HydrophobicContact CD1-CG2 4.1Å
368	C	97.1	Very high	92.2	Very high	3 Å²	3	6.4 Å²	6.4	2%	0.02	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.5	168.9	-67.6	0	0	0	0	108.5	I607 V609 A706 V707 T708	C368-I607 CarbonylContact C-O 3.54Å; C368-I607 WeakPolarHBondContact CA-O 3.32Å; C368-V609 HydrophobicContact CB-CG2 4.17Å; C368-A706 PolarHBondContact N-O 3.41Å; C368-V707 HydrophobicContact CB-CG2 4.06Å; C368-V707 CarbonylContact O-C 3.33Å; C368-V707 VanDerWaalsContact O-CA 3.26Å; C368-V707 WeakPolarHBondContact O-CA 3.47Å; C368-T708 PolarHBondContact O-N 2.87Å
369	S	95.7	Very high	92.1	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.6	-176.8	-172.5	0	0	0	0	111.9	T374 L375 I607 M608 V609 T708	S369-T374 WeakPolarHBondContact OG-CG2 3.23Å; S369-L375 WeakPolarHBondContact OG-CG 3.18Å; S369-I607 PolarHBondContact N-O 3.5Å; S369-M608 WeakPolarHBondContact O-CA 3.34Å; S369-V609 PolarHBondContact O-N 2.85Å; S369-T708 VanDerWaalsContact CA-OG1 3.23Å; S369-T708 WeakPolarHBondContact CA-OG1 3.47Å; S369-T708 WeakPolarHBondContact CB-OG1 3.45Å; S369-T708 PolarHBondContact OG-OG1 2.87Å
370	D	93.5	Very high	91.9	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.021	6%	0.057	C	C	.	.			trans	-65.3	157	160.3	-169	62.8	0	0	0	110.5	T372 T374 L375 V609 K691 T708	D370-T372 PolarHBondContact OD2-N 3.19Å; D370-T374 WeakPolarHBondContact O-CB 3.12Å; D370-L375 WeakPolarHBondContact O-CG 3.35Å; D370-V609 WeakPolarHBondContact CA-O 3.4Å; D370-K691 IonicContact OD1-NZ 3.97Å; D370-K691 PolarHBondContact OD1-NZ 3.41Å; D370-T708 PolarHBondContact N-O 3.15Å
371	K	91.5	Very high	91.8	Very high	4 Å²	4	11.3 Å²	11.3	2%	0.017	6%	0.06	C	C	.	.	I	π-helix	trans	-89.6	-59.4	179.3	-179.1	-144.5	57.7	135.3	0	110.6	E215 G373 L375 T376 M608 T610 D612 I620	E215-K371 IonicContact OE1-NZ 2.98Å; K371-G373 PolarHBondContact O-N 3.29Å; K371-L375 PolarHBondContact O-N 3.12Å; K371-T376 HydrophobicContact CG-CG2 3.96Å; K371-T376 PolarHBondContact O-N 3.19Å; K371-T376 PolarHBondContact O-OG1 2.84Å; K371-M608 HydrophobicContact CB-CG 4.38Å; K371-M608 HydrophobicContact CB-SD 4.11Å; K371-M608 HydrophobicContact CG-CE 4.38Å; K371-M608 HydrophobicContact CG-SD 4.23Å; K371-T610 HydrophobicContact CB-CG2 4.21Å; K371-T610 WeakPolarHBondContact CB-OG1 3.44Å; K371-D612 HydrophobicContact CD-CB 4.23Å; K371-D612 VanDerWaalsContact CE-OD2 3.26Å; K371-D612 WeakPolarHBondContact CE-OD2 3.42Å; K371-D612 IonicContact NZ-OD2 3.23Å; K371-D612 PolarHBondContact NZ-OD2 3.26Å; K371-I620 HydrophobicContact CD-CB 4.45Å; K371-I620 HydrophobicContact CD-CG1 4.24Å; K371-I620 HydrophobicContact CG-CB 4.38Å; K371-I620 HydrophobicContact CG-CG2 3.98Å
372	T	86.8	Confident	91.9	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.012	6%	0.061	C	C	.	.	I	π-helix	trans	-71.7	127	-167.8	-58.1	0	0	0	0	108.9	E215 D370 T374 T376 N378	E215-T372 PolarHBondContact OE1-OG1 3.06Å; D370-T372 PolarHBondContact OD2-N 3.19Å; T372-T374 PolarHBondContact O-N 3.24Å; T372-T376 WeakPolarHBondContact CA-OG1 3.48Å; T372-N378 HydrophobicContact CG2-CB 4.17Å
373	G	84.9	Confident	91.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	69.8	-16.1	178.6	0	0	0	0	0	116.5	K371 T376 R589 D710	K371-G373 PolarHBondContact O-N 3.29Å; G373-T376 CarbonylContact C-O 3.09Å; G373-T376 VanDerWaalsContact C-O 3.3Å; G373-T376 WeakPolarHBondContact CA-O 3.46Å; G373-T376 PolarHBondContact N-OG1 2.75Å; G373-R589 PolarHBondContact O-NE 3.26Å; G373-R589 PolarHBondContact O-NH2 3.4Å; G373-D710 WeakPolarHBondContact CA-OD2 3.27Å
374	T	90.8	Very high	91.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-95.1	-69.6	174.9	-58.2	0	0	0	0	111	S369 D370 T372 R589 G709 D710 M727 F748	S369-T374 WeakPolarHBondContact OG-CG2 3.23Å; D370-T374 WeakPolarHBondContact O-CB 3.12Å; T372-T374 PolarHBondContact O-N 3.24Å; T374-R589 PolarHBondContact O-NE 3.25Å; T374-G709 WeakPolarHBondContact OG1-CA 3.25Å; T374-D710 PolarHBondContact OG1-N 3.15Å; T374-M727 HydrophobicContact CG2-SD 4.43Å; T374-F748 HydrophobicContact CG2-CD2 4.43Å; T374-F748 HydrophobicContact CG2-CE2 4.36Å
375	L	92.7	Very high	91.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-79.8	-35.2	175.3	-65.1	171.7	0	0	0	111.5	S369 D370 K371 P588 R589 V592 M608 I626 F748	S369-L375 WeakPolarHBondContact OG-CG 3.18Å; D370-L375 WeakPolarHBondContact O-CG 3.35Å; K371-L375 PolarHBondContact O-N 3.12Å; L375-P588 WeakPolarHBondContact O-CA 3.48Å; L375-R589 PolarHBondContact O-N 2.87Å; L375-V592 HydrophobicContact CB-CG1 4.27Å; L375-V592 HydrophobicContact CD2-CG1 3.59Å; L375-M608 HydrophobicContact CD1-CE 3.78Å; L375-I626 HydrophobicContact CD1-CD1 3.93Å; L375-F748 HydrophobicContact CD2-CD2 4.08Å; L375-F748 HydrophobicContact CD2-CE1 4.48Å; L375-F748 HydrophobicContact CD2-CE2 3.71Å; L375-F748 HydrophobicContact CD2-CZ 3.93Å
376	T	91.5	Very high	91.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-99.1	171.6	177.6	67.3	0	0	0	0	111.6	K371 T372 G373 N378 D586 P587 R589 I620	K371-T376 HydrophobicContact CG-CG2 3.96Å; K371-T376 PolarHBondContact O-N 3.19Å; K371-T376 PolarHBondContact O-OG1 2.84Å; T372-T376 WeakPolarHBondContact CA-OG1 3.48Å; G373-T376 CarbonylContact C-O 3.09Å; G373-T376 VanDerWaalsContact C-O 3.3Å; G373-T376 WeakPolarHBondContact CA-O 3.46Å; G373-T376 PolarHBondContact N-OG1 2.75Å; T376-N378 VanDerWaalsContact C-N 3.3Å; T376-D586 VanDerWaalsContact CB-CG 3.45Å; T376-D586 WeakPolarHBondContact CB-OD2 3.46Å; T376-D586 WeakPolarHBondContact CG2-O 3.5Å; T376-D586 VanDerWaalsContact OG1-CG 3.31Å; T376-D586 PolarHBondContact OG1-OD2 3.14Å; T376-P587 VanDerWaalsContact CA-O 3.28Å; T376-P587 WeakPolarHBondContact CA-O 3.06Å; T376-P587 WeakPolarHBondContact CB-O 3.39Å; T376-R589 PolarHBondContact O-NE 2.88Å; T376-R589 VanDerWaalsContact O-NE 3.15Å; T376-I620 HydrophobicContact CG2-CD1 4.2Å; T376-I620 HydrophobicContact CG2-CG1 4.37Å; T376-I620 HydrophobicContact CG2-CG2 3.88Å
377	Q	87.6	Confident	91.4	Very high	17 Å²	17	11 Å²	11	8%	0.079	5%	0.054	C	C	.	.			trans	-84.4	-4	-175.6	-59.3	173.7	23.3	0	0	113	R379 T396 E398 D586 P587 P588 R589	Q377-R379 HydrophobicContact CB-CB 4.44Å; Q377-R379 PolarHBondContact O-N 2.8Å; Q377-T396 PolarHBondContact NE2-O 3.15Å; Q377-E398 HydrophobicContact CG-CG 3.91Å; Q377-E398 WeakPolarHBondContact CG-OE1 3.19Å; Q377-E398 VanDerWaalsContact OE1-CG 3.31Å; Q377-D586 PolarHBondContact N-OD1 3.48Å; Q377-P587 HydrophobicContact CG-CG 4.42Å; Q377-P587 WeakPolarHBondContact CG-O 3.34Å; Q377-P587 PolarHBondContact N-O 2.89Å; Q377-P588 PolarHBondContact NE2-O 3.05Å; Q377-R589 HydrophobicContact CG-CG 3.88Å
378	N	84.7	Confident	91.1	Very high	58 Å²	58	11.9 Å²	11.9	31%	0.31	6%	0.059	S	C	.	.	S	Bend	trans	50.1	43.1	-168.6	-164.1	1.7	0	0	0	111.7	S216 T372 T376 D586	S216-N378 PolarHBondContact OG-OD1 2.88Å; T372-N378 HydrophobicContact CG2-CB 4.17Å; T376-N378 VanDerWaalsContact C-N 3.3Å; N378-D586 WeakPolarHBondContact CA-OD1 3.44Å; N378-D586 WeakPolarHBondContact CA-OD2 3.33Å; N378-D586 PolarHBondContact N-OD1 3.34Å; N378-D586 PolarHBondContact N-OD2 3.32Å
379	R	85.1	Confident	90.6	Very high	40 Å²	40	15.6 Å²	15.6	15%	0.151	8%	0.078	C	C	.	.	S	Bend	trans	-148.2	112.6	-178.2	-177.5	-178.6	63.9	-147.4	-8.5	110.9	Q377 T381 L437 D586 P587	Q377-R379 HydrophobicContact CB-CB 4.44Å; Q377-R379 PolarHBondContact O-N 2.8Å; R379-T381 PolarHBondContact O-N 2.98Å; R379-T381 PolarHBondContact O-OG1 3.09Å; R379-L437 VanDerWaalsContact NH1-C 3.28Å; R379-L437 PolarHBondContact NH1-O 2.83Å; R379-D586 PolarHBondContact N-OD1 3.31Å; R379-P587 WeakPolarHBondContact O-CD 3.38Å
380	M	89.3	Confident	90.4	Very high	52 Å²	52	22.1 Å²	22.1	26%	0.256	11%	0.107	S	C	.	.			trans	-55.4	123.1	170.7	-162.7	59.3	59.9	0	0	110.5	A445 A449 M584 I585	M380-A445 HydrophobicContact CB-CB 4.05Å; M380-A449 HydrophobicContact CB-CB 4.23Å; M380-A449 HydrophobicContact CG-CB 4.04Å; M380-A449 WeakPolarHBondContact O-CB 3.41Å; M380-M584 HydrophobicContact CG-CB 3.98Å; M380-M584 HydrophobicContact CG-CG 3.8Å; M380-M584 HydrophobicContact CG-SD 3.74Å; M380-M584 HydrophobicContact SD-CB 3.86Å; M380-M584 HydrophobicContact SD-CG 3.65Å; M380-M584 HydrophobicContact SD-SD 4.32Å; M380-I585 VanDerWaalsContact SD-C 3.54Å
381	T	91.7	Very high	90.3	Very high	12 Å²	12	24.6 Å²	24.6	7%	0.074	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.8	-174.7	-55.4	0	0	0	0	108.7	R379 A383 M584 I585	R379-T381 PolarHBondContact O-N 2.98Å; R379-T381 PolarHBondContact O-OG1 3.09Å; T381-A383 PolarHBondContact O-N 3.11Å; T381-M584 CarbonylContact O-C 3.51Å; T381-M584 WeakPolarHBondContact O-CA 3.16Å; T381-M584 WeakPolarHBondContact O-CB 3.43Å; T381-I585 PolarHBondContact N-O 2.97Å; T381-I585 PolarHBondContact O-N 3.45Å; T381-I585 VanDerWaalsContact O-O 3.13Å
382	V	93.2	Very high	90.3	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	124.8	176.2	177.1	0	0	0	0	108.8	M385 A394 A449 I450 C453 M582 S583	V382-M385 HydrophobicContact CG1-CG 4.08Å; V382-M385 HydrophobicContact CG1-SD 4.41Å; V382-A394 HydrophobicContact CG1-CB 4.47Å; V382-A394 WeakPolarHBondContact O-CB 3.19Å; V382-A449 HydrophobicContact CG2-CB 4.45Å; V382-I450 HydrophobicContact CG2-CG1 4.45Å; V382-C453 HydrophobicContact CB-CB 3.95Å; V382-C453 HydrophobicContact CG2-CB 3.65Å; V382-M582 HydrophobicContact CG1-CB 4.42Å; V382-S583 CarbonylContact C-O 3.43Å; V382-S583 WeakPolarHBondContact CA-O 3.44Å
383	A	92.1	Very high	90.4	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.025	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-48.6	-174.3	0	0	0	0	0	111.9	T381 A394 T396 E543 S583 I585	T381-A383 PolarHBondContact O-N 3.11Å; A383-A394 WeakPolarHBondContact O-CB 3.47Å; A383-A394 PolarHBondContact O-N 3.22Å; A383-T396 HydrophobicContact CB-CG2 4.06Å; A383-E543 WeakPolarHBondContact CB-OE1 3.24Å; A383-S583 PolarHBondContact N-O 3.13Å; A383-I585 HydrophobicContact CB-CG2 3.83Å
384	H	93.4	Very high	90.6	Very high	28 Å²	28	32.5 Å²	32.5	13%	0.13	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.9	175.3	-57.1	88.2	0	0	0	112.6	I391 F392 L538 E543 S583	H384-I391 HydrophobicContact CB-CG2 3.88Å; H384-F392 CarbonylContact C-O 3.53Å; H384-F392 VanDerWaalsContact CA-O 3.23Å; H384-F392 WeakPolarHBondContact CA-O 3.24Å; H384-L538 HydrophobicContact CB-CD2 3.64Å; H384-E543 IonicContact CE1-OE1 3.87Å; H384-E543 PolarHBondContact CE1-OE1 3.32Å; H384-E543 IonicContact CG-OE2 3.61Å; H384-E543 VanDerWaalsContact ND1-CD 3.25Å; H384-E543 IonicContact ND1-OE1 2.7Å; H384-E543 PolarHBondContact ND1-OE1 2.88Å; H384-E543 IonicContact ND1-OE2 2.69Å; H384-E543 PolarHBondContact ND1-OE2 3.47Å; H384-S583 WeakPolarHBondContact CA-OG 3.39Å; H384-S583 VanDerWaalsContact CB-OG 3.29Å; H384-S583 WeakPolarHBondContact CB-OG 3.44Å; H384-S583 PolarHBondContact N-OG 3.08Å; H384-S583 VanDerWaalsContact N-OG 3.14Å; H384-S583 PolarHBondContact O-N 3.22Å; H384-S583 PolarHBondContact O-OG 3.07Å
385	M	93.4	Very high	90.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.3	175.8	-66	160.8	-68.8	0	0	108.9	V382 F387 I391 F392 A394 F405 W412 L581 M582	V382-M385 HydrophobicContact CG1-CG 4.08Å; V382-M385 HydrophobicContact CG1-SD 4.41Å; M385-F387 HydrophobicContact CB-CD1 4.19Å; M385-F387 HydrophobicContact CB-CE1 4.18Å; M385-I391 WeakPolarHBondContact O-CA 3.48Å; M385-F392 PolarHBondContact N-O 2.62Å; M385-F392 PolarHBondContact O-N 2.82Å; M385-A394 HydrophobicContact CE-CB 3.8Å; M385-F405 HydrophobicContact CE-CD1 3.66Å; M385-F405 HydrophobicContact CE-CD2 4.48Å; M385-F405 HydrophobicContact CE-CE1 3.13Å; M385-F405 HydrophobicContact CE-CE2 4.04Å; M385-F405 HydrophobicContact CE-CG 4.31Å; M385-F405 HydrophobicContact CE-CZ 3.35Å; M385-F405 HydrophobicContact SD-CE1 4.22Å; M385-F405 HydrophobicContact SD-CZ 3.89Å; M385-W412 HydrophobicContact CG-CZ3 4.41Å; M385-W412 HydrophobicContact SD-CE3 4.18Å; M385-W412 HydrophobicContact SD-CH2 3.57Å; M385-W412 VanDerWaalsContact SD-CH2 3.57Å; M385-W412 HydrophobicContact SD-CZ3 3.24Å; M385-W412 WeakPolarHBondContact SD-CZ3 3.23Å; M385-L581 CarbonylContact C-O 3.54Å; M385-L581 WeakPolarHBondContact CA-O 3.36Å; M385-M582 HydrophobicContact CG-CG 4.1Å
386	W	94.2	Very high	90.2	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.8	175.8	-175.6	85.7	0	0	0	109.8	N389 K390 I514 F531 S534 F578 G580 L581	W386-N389 WeakPolarHBondContact CZ2-OD1 3.47Å; W386-K390 WeakPolarHBondContact CA-O 3.37Å; W386-I514 HydrophobicContact CH2-CD1 3.93Å; W386-I514 HydrophobicContact CZ3-CD1 4.08Å; W386-F531 HydrophobicContact CH2-CB 4.15Å; W386-F531 HydrophobicContact CH2-CD2 4.29Å; W386-F531 HydrophobicContact CZ3-CD2 4.02Å; W386-S534 PolarHBondContact NE1-OG 3.43Å; W386-F578 AromaticContact CE3-CE1 3.91Å; W386-F578 HydrophobicContact CE3-CE1 3.91Å; W386-F578 HydrophobicContact CZ3-CD1 4.14Å; W386-F578 AromaticContact CZ3-CE1 3.48Å; W386-F578 HydrophobicContact CZ3-CE1 3.48Å; W386-F578 VanDerWaalsContact CZ3-CE1 3.48Å; W386-F578 HydrophobicContact CZ3-CZ 4.3Å; W386-G580 CarbonylContact O-C 3.47Å; W386-G580 WeakPolarHBondContact O-CA 3.43Å; W386-L581 HydrophobicContact CB-CB 3.87Å; W386-L581 HydrophobicContact CB-CD1 4.19Å; W386-L581 HydrophobicContact CB-CG 4.26Å; W386-L581 HydrophobicContact CD2-CD1 4.47Å; W386-L581 HydrophobicContact CE3-CD1 4.36Å; W386-L581 HydrophobicContact CE3-CG 4.2Å; W386-L581 HydrophobicContact CG-CD1 4.44Å; W386-L581 PolarHBondContact N-O 2.83Å; W386-L581 PolarHBondContact O-N 3.16Å
387	F	92.3	Very high	89.8	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	161.4	172.3	61.7	-90.6	0	0	0	109.2	M385 N389 K390 F392 F405 T411 W412 L415	M385-F387 HydrophobicContact CB-CD1 4.19Å; M385-F387 HydrophobicContact CB-CE1 4.18Å; F387-N389 PolarHBondContact O-N 3.48Å; F387-N389 VanDerWaalsContact O-N 3.08Å; F387-K390 PolarHBondContact N-O 3.23Å; F387-K390 PolarHBondContact O-N 3.35Å; F387-K390 VanDerWaalsContact O-O 3.08Å; F387-F392 AromaticContact CD1-CD2 3.76Å; F387-F392 HydrophobicContact CD1-CD2 3.76Å; F387-F392 HydrophobicContact CD1-CE2 4.07Å; F387-F392 HydrophobicContact CD2-CD2 4.3Å; F387-F392 AromaticContact CD2-CE2 3.77Å; F387-F392 HydrophobicContact CD2-CE2 3.77Å; F387-F392 HydrophobicContact CE1-CB 4.32Å; F387-F392 AromaticContact CE1-CD2 3.26Å; F387-F392 HydrophobicContact CE1-CD2 3.26Å; F387-F392 AromaticContact CE1-CE2 3.69Å; F387-F392 HydrophobicContact CE1-CE2 3.69Å; F387-F392 AromaticContact CE1-CG 3.93Å; F387-F392 HydrophobicContact CE1-CG 3.93Å; F387-F392 AromaticContact CE2-CD2 3.86Å; F387-F392 HydrophobicContact CE2-CD2 3.86Å; F387-F392 AromaticContact CE2-CE2 3.35Å; F387-F392 HydrophobicContact CE2-CE2 3.35Å; F387-F392 AromaticContact CE2-CZ 3.87Å; F387-F392 HydrophobicContact CE2-CZ 3.87Å; F387-F392 HydrophobicContact CG-CD2 4.25Å; F387-F392 HydrophobicContact CG-CE2 4.11Å; F387-F392 HydrophobicContact CZ-CD1 4.47Å; F387-F392 AromaticContact CZ-CD2 3.32Å; F387-F392 HydrophobicContact CZ-CD2 3.32Å; F387-F392 HydrophobicContact CZ-CE1 4.46Å; F387-F392 AromaticContact CZ-CE2 3.3Å; F387-F392 HydrophobicContact CZ-CE2 3.3Å; F387-F392 AromaticContact CZ-CG 3.92Å; F387-F392 HydrophobicContact CZ-CG 3.92Å; F387-F392 AromaticContact CZ-CZ 3.91Å; F387-F392 HydrophobicContact CZ-CZ 3.91Å; F387-F405 HydrophobicContact CZ-CD2 4.34Å; F387-T411 HydrophobicContact CB-CG2 3.86Å; F387-T411 HydrophobicContact CD2-CG2 4.37Å; F387-W412 HydrophobicContact CE1-CE3 4.05Å; F387-W412 HydrophobicContact CE2-CB 4.05Å; F387-W412 HydrophobicContact CZ-CB 4Å; F387-L415 HydrophobicContact CB-CD2 4.45Å; F387-L415 HydrophobicContact CD1-CD2 4.01Å
388	D	91.2	Very high	89.4	Confident	19 Å²	19	37.1 Å²	37.1	10%	0.102	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	31.8	-175.6	-60.3	-29.7	0	0	0	113.4	K390 S409 T411 N517	D388-K390 PolarHBondContact O-N 3.35Å; D388-S409 PolarHBondContact OD2-OG 2.93Å; D388-T411 WeakPolarHBondContact OD1-CB 3.41Å; D388-T411 WeakPolarHBondContact OD1-CG2 3.26Å; D388-T411 PolarHBondContact OD1-OG1 2.79Å; D388-N517 WeakPolarHBondContact OD1-CA 3.36Å; D388-N517 PolarHBondContact OD1-N 2.85Å
389	N	88	Confident	89	Confident	80 Å²	80	40.1 Å²	40.1	43%	0.428	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	30.8	-176.1	-154.9	33.6	0	0	0	114.6	W386 F387 E530	W386-N389 WeakPolarHBondContact CZ2-OD1 3.47Å; F387-N389 PolarHBondContact O-N 3.48Å; F387-N389 VanDerWaalsContact O-N 3.08Å; N389-E530 WeakPolarHBondContact OD1-CG 3.2Å
390	K	90.7	Very high	88.6	Confident	138 Å²	138	41 Å²	41	60%	0.6	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.7	179.2	-68.7	-179.3	-178.9	178.6	0	110.8	W386 F387 D388 F392	W386-K390 WeakPolarHBondContact CA-O 3.37Å; F387-K390 PolarHBondContact N-O 3.23Å; F387-K390 PolarHBondContact O-N 3.35Å; F387-K390 VanDerWaalsContact O-O 3.08Å; D388-K390 PolarHBondContact O-N 3.35Å; K390-F392 HydrophobicContact CB-CD2 4.45Å; K390-F392 HydrophobicContact CB-CE2 3.81Å; K390-F392 HydrophobicContact CB-CZ 4.06Å; K390-F392 HydrophobicContact CD-CZ 4.45Å
391	I	90.9	Very high	87.7	Confident	55 Å²	55	43.8 Å²	43.8	28%	0.282	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.7	171.2	-59.3	174.5	0	0	0	108	H384 M385 K537 L538	H384-I391 HydrophobicContact CB-CG2 3.88Å; M385-I391 WeakPolarHBondContact O-CA 3.48Å; I391-K537 HydrophobicContact CD1-CD 3.92Å; I391-L538 HydrophobicContact CD1-CD2 4.34Å; I391-L538 HydrophobicContact CG2-CD2 4.18Å
392	F	91	Very high	86.5	Confident	46 Å²	46	45 Å²	45	20%	0.202	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.9	173.7	-64.7	-85.3	0	0	0	109.4	H384 M385 F387 K390 F405	H384-F392 CarbonylContact C-O 3.53Å; H384-F392 VanDerWaalsContact CA-O 3.23Å; H384-F392 WeakPolarHBondContact CA-O 3.24Å; M385-F392 PolarHBondContact N-O 2.62Å; M385-F392 PolarHBondContact O-N 2.82Å; F387-F392 AromaticContact CD1-CD2 3.76Å; F387-F392 HydrophobicContact CD1-CD2 3.76Å; F387-F392 HydrophobicContact CD1-CE2 4.07Å; F387-F392 HydrophobicContact CD2-CD2 4.3Å; F387-F392 AromaticContact CD2-CE2 3.77Å; F387-F392 HydrophobicContact CD2-CE2 3.77Å; F387-F392 HydrophobicContact CE1-CB 4.32Å; F387-F392 AromaticContact CE1-CD2 3.26Å; F387-F392 HydrophobicContact CE1-CD2 3.26Å; F387-F392 AromaticContact CE1-CE2 3.69Å; F387-F392 HydrophobicContact CE1-CE2 3.69Å; F387-F392 AromaticContact CE1-CG 3.93Å; F387-F392 HydrophobicContact CE1-CG 3.93Å; F387-F392 AromaticContact CE2-CD2 3.86Å; F387-F392 HydrophobicContact CE2-CD2 3.86Å; F387-F392 AromaticContact CE2-CE2 3.35Å; F387-F392 HydrophobicContact CE2-CE2 3.35Å; F387-F392 AromaticContact CE2-CZ 3.87Å; F387-F392 HydrophobicContact CE2-CZ 3.87Å; F387-F392 HydrophobicContact CG-CD2 4.25Å; F387-F392 HydrophobicContact CG-CE2 4.11Å; F387-F392 HydrophobicContact CZ-CD1 4.47Å; F387-F392 AromaticContact CZ-CD2 3.32Å; F387-F392 HydrophobicContact CZ-CD2 3.32Å; F387-F392 HydrophobicContact CZ-CE1 4.46Å; F387-F392 AromaticContact CZ-CE2 3.3Å; F387-F392 HydrophobicContact CZ-CE2 3.3Å; F387-F392 AromaticContact CZ-CG 3.92Å; F387-F392 HydrophobicContact CZ-CG 3.92Å; F387-F392 AromaticContact CZ-CZ 3.91Å; F387-F392 HydrophobicContact CZ-CZ 3.91Å; K390-F392 HydrophobicContact CB-CD2 4.45Å; K390-F392 HydrophobicContact CB-CE2 3.81Å; K390-F392 HydrophobicContact CB-CZ 4.06Å; K390-F392 HydrophobicContact CD-CZ 4.45Å; F392-F405 HydrophobicContact CB-CB 4.12Å; F392-F405 HydrophobicContact CB-CG 4.34Å; F392-F405 HydrophobicContact CD1-CB 3.84Å; F392-F405 HydrophobicContact CG-CB 4.33Å
393	E	89.5	Confident	85	Confident	123 Å²	123	48.5 Å²	48.5	58%	0.575	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	133.4	175.4	-168.7	177.9	177.7	0	0	110
394	A	88.5	Confident	83.9	Confident	4 Å²	4	59 Å²	59	3%	0.033	31%	0.307	C	S	.	.			trans	-94.6	157.4	173.7	0	0	0	0	0	110.3	V382 A383 M385 T396	V382-A394 HydrophobicContact CG1-CB 4.47Å; V382-A394 WeakPolarHBondContact O-CB 3.19Å; A383-A394 WeakPolarHBondContact O-CB 3.47Å; A383-A394 PolarHBondContact O-N 3.22Å; M385-A394 HydrophobicContact CE-CB 3.8Å; A394-T396 PolarHBondContact O-N 3.43Å
395	D	88	Confident	83	Confident	18 Å²	18	58.5 Å²	58.5	10%	0.096	31%	0.305	C	S	.	.			trans	-80.4	106.4	177.8	-171.9	-5.5	0	0	0	110.5	S397 Q400 T401 G402 Y457	D395-S397 WeakPolarHBondContact OD1-CB 3.42Å; D395-S397 PolarHBondContact OD1-N 2.95Å; D395-S397 PolarHBondContact OD1-OG 2.9Å; D395-Q400 PolarHBondContact O-NE2 3.33Å; D395-Q400 WeakPolarHBondContact OD2-CA 3.37Å; D395-T401 PolarHBondContact OD2-N 2.97Å; D395-G402 VanDerWaalsContact CG-N 3.26Å; D395-G402 PolarHBondContact OD1-N 2.99Å; D395-G402 WeakPolarHBondContact OD2-CA 3.46Å; D395-G402 PolarHBondContact OD2-N 2.89Å; D395-Y457 PolarHBondContact N-OH 2.92Å
396	T	87	Confident	81.8	Confident	36 Å²	36	63.4 Å²	63.4	22%	0.221	33%	0.331	C	S	.	.			trans	-90.5	-1.9	-179	58.6	0	0	0	0	113.4	Q377 A383 A394 P587	Q377-T396 PolarHBondContact NE2-O 3.15Å; A383-T396 HydrophobicContact CB-CG2 4.06Å; A394-T396 PolarHBondContact O-N 3.43Å; T396-P587 HydrophobicContact CG2-CB 4.17Å
397	S	82.9	Confident	81.1	Confident	14 Å²	14	67.6 Å²	67.6	10%	0.098	35%	0.349	C	S	.	.			trans	-76.1	141.6	-176.2	107.3	0	0	0	0	111.6	D395 N399 Q400 T401	D395-S397 WeakPolarHBondContact OD1-CB 3.42Å; D395-S397 PolarHBondContact OD1-N 2.95Å; D395-S397 PolarHBondContact OD1-OG 2.9Å; S397-N399 PolarHBondContact O-N 3.45Å; S397-N399 VanDerWaalsContact O-N 3.12Å; S397-Q400 PolarHBondContact O-N 3.36Å; S397-Q400 VanDerWaalsContact O-N 3.16Å; S397-Q400 PolarHBondContact O-NE2 3.36Å; S397-Q400 PolarHBondContact OG-N 2.99Å; S397-T401 PolarHBondContact OG-N 3.49Å; S397-T401 VanDerWaalsContact OG-N 3.11Å; S397-T401 PolarHBondContact OG-OG1 2.93Å
398	E	79.7	Confident	80.5	Confident	45 Å²	45	71.8 Å²	71.8	21%	0.21	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.7	179.6	-62.8	-176.2	-157.1	0	0	113.2	Q377 R589	Q377-E398 HydrophobicContact CG-CG 3.91Å; Q377-E398 WeakPolarHBondContact CG-OE1 3.19Å; Q377-E398 VanDerWaalsContact OE1-CG 3.31Å; E398-R589 IonicContact OE1-NH1 2.98Å; E398-R589 PolarHBondContact OE1-NH1 3.31Å
399	N	76.8	Confident	80.3	Confident	122 Å²	122	71.5 Å²	71.5	65%	0.652	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	2	-175.5	-65.2	-23.3	0	0	0	113.4	S397 T401	S397-N399 PolarHBondContact O-N 3.45Å; S397-N399 VanDerWaalsContact O-N 3.12Å; N399-T401 HydrophobicContact CB-CG2 4.13Å
400	Q	76.3	Confident	80.4	Confident	59 Å²	59	71.4 Å²	71.4	28%	0.276	38%	0.382	S	S	.	.			trans	55.1	54.3	179.1	-62.4	-70.7	-75.9	0	0	114	D395 S397 L437 L456	D395-Q400 PolarHBondContact O-NE2 3.33Å; D395-Q400 WeakPolarHBondContact OD2-CA 3.37Å; S397-Q400 PolarHBondContact O-N 3.36Å; S397-Q400 VanDerWaalsContact O-N 3.16Å; S397-Q400 PolarHBondContact O-NE2 3.36Å; S397-Q400 PolarHBondContact OG-N 2.99Å; Q400-L437 HydrophobicContact CG-CD1 4.16Å; Q400-L456 HydrophobicContact CG-CD2 4.36Å
401	T	70.1	Confident	80.4	Confident	110 Å²	110	64.8 Å²	64.8	68%	0.675	35%	0.353	S	S	*	.			trans	-100.5	-3.3	-178.2	52.6	0	0	0	0	113.9	D395 S397 N399	D395-T401 PolarHBondContact OD2-N 2.97Å; S397-T401 PolarHBondContact OG-N 3.49Å; S397-T401 VanDerWaalsContact OG-N 3.11Å; S397-T401 PolarHBondContact OG-OG1 2.93Å; N399-T401 HydrophobicContact CB-CG2 4.13Å
402	G	67.7	Low	80.5	Confident	37 Å²	37	62.5 Å²	62.5	38%	0.381	34%	0.341	S	S	.	.	S	Bend	trans	-82.4	-177.6	-172.2	0	0	0	0	0	114.9	D395	D395-G402 VanDerWaalsContact CG-N 3.26Å; D395-G402 PolarHBondContact OD1-N 2.99Å; D395-G402 WeakPolarHBondContact OD2-CA 3.46Å; D395-G402 PolarHBondContact OD2-N 2.89Å
403	A	62	Low	80.5	Confident	75 Å²	75	64.1 Å²	64.1	62%	0.62	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-68.2	141.1	-179.3	0	0	0	0	0	111.6
404	R	68.1	Low	80.6	Confident	224 Å²	224	58.3 Å²	58.3	85%	0.845	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-97.6	131.4	174.8	-64.7	-178.8	179.4	-178.9	-0.1	109.6
405	F	73.7	Confident	80.9	Confident	18 Å²	18	58.1 Å²	58.1	8%	0.079	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-85.7	161.2	169.6	65.9	-86.5	0	0	0	111.6	M385 F387 F392 K407 W412 Y457	M385-F405 HydrophobicContact CE-CD1 3.66Å; M385-F405 HydrophobicContact CE-CD2 4.48Å; M385-F405 HydrophobicContact CE-CE1 3.13Å; M385-F405 HydrophobicContact CE-CE2 4.04Å; M385-F405 HydrophobicContact CE-CG 4.31Å; M385-F405 HydrophobicContact CE-CZ 3.35Å; M385-F405 HydrophobicContact SD-CE1 4.22Å; M385-F405 HydrophobicContact SD-CZ 3.89Å; F387-F405 HydrophobicContact CZ-CD2 4.34Å; F392-F405 HydrophobicContact CB-CB 4.12Å; F392-F405 HydrophobicContact CB-CG 4.34Å; F392-F405 HydrophobicContact CD1-CB 3.84Å; F392-F405 HydrophobicContact CG-CB 4.33Å; F405-K407 PolarHBondContact O-N 3.01Å; F405-W412 AromaticContact CE2-CD2 3.77Å; F405-W412 HydrophobicContact CE2-CD2 3.77Å; F405-W412 AromaticContact CE2-CE2 3.8Å; F405-W412 HydrophobicContact CE2-CE3 4.01Å; F405-W412 HydrophobicContact CE2-CG 4.28Å; F405-W412 HydrophobicContact CE2-CH2 4.28Å; F405-W412 HydrophobicContact CE2-CZ2 4.06Å; F405-W412 HydrophobicContact CE2-CZ3 4.27Å; F405-W412 HydrophobicContact CZ-CD2 4.29Å; F405-W412 AromaticContact CZ-CE2 3.97Å; F405-W412 HydrophobicContact CZ-CE3 4.35Å; F405-W412 AromaticContact CZ-CH2 3.83Å; F405-W412 HydrophobicContact CZ-CH2 3.83Å; F405-W412 AromaticContact CZ-CZ2 3.74Å; F405-W412 HydrophobicContact CZ-CZ2 3.74Å; F405-W412 HydrophobicContact CZ-CZ3 4.16Å; F405-Y457 HydrophobicContact CD1-CE1 4.33Å; F405-Y457 HydrophobicContact CE1-CD1 4.05Å; F405-Y457 HydrophobicContact CE1-CD2 4.23Å; F405-Y457 AromaticContact CE1-CE1 3.58Å; F405-Y457 HydrophobicContact CE1-CE1 3.58Å; F405-Y457 AromaticContact CE1-CE2 3.8Å; F405-Y457 HydrophobicContact CE1-CE2 3.8Å; F405-Y457 HydrophobicContact CE1-CG 4.36Å; F405-Y457 AromaticContact CE1-CZ 3.45Å; F405-Y457 VanDerWaalsContact CE1-CZ 3.45Å; F405-Y457 HydrophobicContact CZ-CD1 4.2Å; F405-Y457 HydrophobicContact CZ-CD2 4.25Å; F405-Y457 HydrophobicContact CZ-CE1 4.2Å; F405-Y457 HydrophobicContact CZ-CE2 4.27Å; F405-Y457 HydrophobicContact CZ-CG 4.23Å
406	N	69.9	Low	81.2	Confident	102 Å²	102	57.4 Å²	57.4	55%	0.545	32%	0.323	S	S	.	.			trans	-71.7	110.7	-177.2	-174.6	6.4	0	0	0	111.5	S408	N406-S408 VanDerWaalsContact C-N 3.25Å; N406-S408 PolarHBondContact ND2-OG 3.07Å; N406-S408 PolarHBondContact O-N 2.94Å; N406-S408 WeakPolarHBondContact OD1-CB 3.27Å; N406-S408 PolarHBondContact OD1-N 2.94Å; N406-S408 PolarHBondContact OD1-OG 3.37Å
407	K	79	Confident	81.5	Confident	93 Å²	93	57.3 Å²	57.3	40%	0.404	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.1	179.1	-55.6	-175.2	-177.2	-164.7	0	114.2	F405 S409 Y457	F405-K407 PolarHBondContact O-N 3.01Å; K407-S409 VanDerWaalsContact C-N 3.35Å; K407-S409 PolarHBondContact O-N 2.53Å; K407-Y457 PolarHBondContact NZ-O 3.28Å
408	S	80.1	Confident	82.1	Confident	89 Å²	89	56.6 Å²	56.6	62%	0.622	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-8.9	-171.1	77.6	0	0	0	0	114.5	N406	N406-S408 VanDerWaalsContact C-N 3.25Å; N406-S408 PolarHBondContact ND2-OG 3.07Å; N406-S408 PolarHBondContact O-N 2.94Å; N406-S408 WeakPolarHBondContact OD1-CB 3.27Å; N406-S408 PolarHBondContact OD1-N 2.94Å; N406-S408 PolarHBondContact OD1-OG 3.37Å
409	S	86.3	Confident	82.8	Confident	14 Å²	14	54.5 Å²	54.5	10%	0.098	30%	0.304	C	S	.	.			trans	-67.3	129.1	-178.6	177.7	0	0	0	0	110.6	D388 K407 T411 W412 T413	D388-S409 PolarHBondContact OD2-OG 2.93Å; K407-S409 VanDerWaalsContact C-N 3.35Å; K407-S409 PolarHBondContact O-N 2.53Å; S409-T411 PolarHBondContact O-N 2.84Å; S409-T411 PolarHBondContact OG-N 3.31Å; S409-W412 WeakPolarHBondContact O-CB 3.35Å; S409-W412 PolarHBondContact O-N 3.43Å; S409-W412 VanDerWaalsContact O-N 3.1Å; S409-T413 PolarHBondContact O-N 2.91Å; S409-T413 PolarHBondContact O-OG1 2.95Å
410	P	89.6	Confident	83.6	Confident	77 Å²	77	48.9 Å²	48.9	50%	0.5	27%	0.274	S	S	.	.	H	α-helix	trans	-56.7	-31.6	171.5	-24	33.8	0	0	0	112.8	T413 A414	P410-T413 PolarHBondContact O-N 3.28Å; P410-A414 PolarHBondContact O-N 3.19Å
411	T	92	Very high	84.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-40.4	177.4	-46.2	0	0	0	0	111.1	F387 D388 S409 T413 A414 L415 L515 N517 G518 V579	F387-T411 HydrophobicContact CB-CG2 3.86Å; F387-T411 HydrophobicContact CD2-CG2 4.37Å; D388-T411 WeakPolarHBondContact OD1-CB 3.41Å; D388-T411 WeakPolarHBondContact OD1-CG2 3.26Å; D388-T411 PolarHBondContact OD1-OG1 2.79Å; S409-T411 PolarHBondContact O-N 2.84Å; S409-T411 PolarHBondContact OG-N 3.31Å; T411-T413 PolarHBondContact O-N 3.18Å; T411-A414 PolarHBondContact O-N 2.87Å; T411-L415 WeakPolarHBondContact O-CB 3.39Å; T411-L415 PolarHBondContact O-N 3.45Å; T411-L515 HydrophobicContact CG2-CB 4.29Å; T411-L515 HydrophobicContact CG2-CD2 4.07Å; T411-L515 HydrophobicContact CG2-CG 4.11Å; T411-L515 WeakPolarHBondContact CG2-O 3.34Å; T411-N517 PolarHBondContact OG1-N 3.1Å; T411-G518 PolarHBondContact OG1-N 3.46Å; T411-V579 HydrophobicContact CG2-CG1 4.32Å
412	W	92.2	Very high	85.7	Confident	7 Å²	7	41 Å²	41	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-44.5	172.5	167.7	-112.1	0	0	0	111.6	M385 F387 F405 S409 A414 L415 A416 Y457 M582	M385-W412 HydrophobicContact CG-CZ3 4.41Å; M385-W412 HydrophobicContact SD-CE3 4.18Å; M385-W412 HydrophobicContact SD-CH2 3.57Å; M385-W412 VanDerWaalsContact SD-CH2 3.57Å; M385-W412 HydrophobicContact SD-CZ3 3.24Å; M385-W412 WeakPolarHBondContact SD-CZ3 3.23Å; F387-W412 HydrophobicContact CE1-CE3 4.05Å; F387-W412 HydrophobicContact CE2-CB 4.05Å; F387-W412 HydrophobicContact CZ-CB 4Å; F405-W412 AromaticContact CE2-CD2 3.77Å; F405-W412 HydrophobicContact CE2-CD2 3.77Å; F405-W412 AromaticContact CE2-CE2 3.8Å; F405-W412 HydrophobicContact CE2-CE3 4.01Å; F405-W412 HydrophobicContact CE2-CG 4.28Å; F405-W412 HydrophobicContact CE2-CH2 4.28Å; F405-W412 HydrophobicContact CE2-CZ2 4.06Å; F405-W412 HydrophobicContact CE2-CZ3 4.27Å; F405-W412 HydrophobicContact CZ-CD2 4.29Å; F405-W412 AromaticContact CZ-CE2 3.97Å; F405-W412 HydrophobicContact CZ-CE3 4.35Å; F405-W412 AromaticContact CZ-CH2 3.83Å; F405-W412 HydrophobicContact CZ-CH2 3.83Å; F405-W412 AromaticContact CZ-CZ2 3.74Å; F405-W412 HydrophobicContact CZ-CZ2 3.74Å; F405-W412 HydrophobicContact CZ-CZ3 4.16Å; S409-W412 WeakPolarHBondContact O-CB 3.35Å; S409-W412 PolarHBondContact O-N 3.43Å; S409-W412 VanDerWaalsContact O-N 3.1Å; W412-A414 VanDerWaalsContact C-N 3.28Å; W412-A414 PolarHBondContact O-N 3.19Å; W412-L415 HydrophobicContact CE3-CB 4.39Å; W412-L415 HydrophobicContact CE3-CD2 4.16Å; W412-L415 HydrophobicContact CZ3-CD2 4.19Å; W412-L415 HydrophobicContact CZ3-CG 4.49Å; W412-L415 PolarHBondContact O-N 3.3Å; W412-L415 VanDerWaalsContact O-N 3.13Å; W412-A416 HydrophobicContact CD2-CB 4.4Å; W412-A416 HydrophobicContact CH2-CB 4.3Å; W412-A416 HydrophobicContact CZ2-CB 3.99Å; W412-A416 VanDerWaalsContact O-CB 3.31Å; W412-A416 WeakPolarHBondContact O-CB 3.39Å; W412-A416 PolarHBondContact O-N 3.22Å; W412-Y457 HydrophobicContact CZ2-CG 4.4Å; W412-M582 HydrophobicContact CH2-CE 4.36Å; W412-M582 HydrophobicContact CZ3-CE 3.99Å
413	T	90.9	Very high	86.8	Confident	79 Å²	79	39.3 Å²	39.3	49%	0.485	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-37.7	178	-52.6	0	0	0	0	112	S409 P410 T411 R417	S409-T413 PolarHBondContact O-N 2.91Å; S409-T413 PolarHBondContact O-OG1 2.95Å; P410-T413 PolarHBondContact O-N 3.28Å; T411-T413 PolarHBondContact O-N 3.18Å; T413-R417 VanDerWaalsContact O-CB 3.3Å; T413-R417 WeakPolarHBondContact O-CB 3.37Å; T413-R417 PolarHBondContact O-N 3.27Å; T413-R417 VanDerWaalsContact O-N 3.1Å
414	A	92.6	Very high	88.2	Confident	2 Å²	2	42.5 Å²	42.5	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-46.9	172.3	0	0	0	0	0	111.6	P410 T411 W412 A416 R417 I418 L515 V579	P410-A414 PolarHBondContact O-N 3.19Å; T411-A414 PolarHBondContact O-N 2.87Å; W412-A414 VanDerWaalsContact C-N 3.28Å; W412-A414 PolarHBondContact O-N 3.19Å; A414-A416 PolarHBondContact O-N 2.87Å; A414-R417 WeakPolarHBondContact O-CB 3.5Å; A414-R417 PolarHBondContact O-N 2.78Å; A414-I418 WeakPolarHBondContact O-CG1 3.34Å; A414-I418 PolarHBondContact O-N 3.04Å; A414-L515 HydrophobicContact CB-CD2 3.6Å; A414-V579 HydrophobicContact CB-CG1 3.87Å
415	L	94.6	Very high	89.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-47.7	179.6	-175.6	57.1	0	0	0	111.9	F387 T411 W412 R417 I418 A419 F548 V579 M582	F387-L415 HydrophobicContact CB-CD2 4.45Å; F387-L415 HydrophobicContact CD1-CD2 4.01Å; T411-L415 WeakPolarHBondContact O-CB 3.39Å; T411-L415 PolarHBondContact O-N 3.45Å; W412-L415 HydrophobicContact CE3-CB 4.39Å; W412-L415 HydrophobicContact CE3-CD2 4.16Å; W412-L415 HydrophobicContact CZ3-CD2 4.19Å; W412-L415 HydrophobicContact CZ3-CG 4.49Å; W412-L415 PolarHBondContact O-N 3.3Å; W412-L415 VanDerWaalsContact O-N 3.13Å; L415-R417 VanDerWaalsContact C-N 3.3Å; L415-R417 PolarHBondContact O-N 3.22Å; L415-I418 PolarHBondContact O-N 3.1Å; L415-A419 WeakPolarHBondContact O-CB 3.39Å; L415-A419 PolarHBondContact O-N 2.97Å; L415-F548 HydrophobicContact CD1-CB 3.55Å; L415-F548 HydrophobicContact CD1-CD2 3.97Å; L415-F548 HydrophobicContact CD1-CG 3.78Å; L415-V579 HydrophobicContact CB-CG1 3.8Å; L415-V579 HydrophobicContact CD1-CG1 4.33Å; L415-M582 HydrophobicContact CD1-CE 4.12Å; L415-M582 HydrophobicContact CD2-CE 4Å; L415-M582 HydrophobicContact CD2-CG 4.45Å; L415-M582 HydrophobicContact CG-CE 3.61Å
416	A	93.2	Very high	90.1	Very high	3 Å²	3	37 Å²	37	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-38.3	177.6	0	0	0	0	0	111.8	W412 A414 A419 M420 V458	W412-A416 HydrophobicContact CD2-CB 4.4Å; W412-A416 HydrophobicContact CH2-CB 4.3Å; W412-A416 HydrophobicContact CZ2-CB 3.99Å; W412-A416 VanDerWaalsContact O-CB 3.31Å; W412-A416 WeakPolarHBondContact O-CB 3.39Å; W412-A416 PolarHBondContact O-N 3.22Å; A414-A416 PolarHBondContact O-N 2.87Å; A416-A419 PolarHBondContact O-N 3.33Å; A416-M420 WeakPolarHBondContact O-CB 3.23Å; A416-M420 VanDerWaalsContact O-CG 3.28Å; A416-M420 WeakPolarHBondContact O-CG 3.39Å; A416-M420 PolarHBondContact O-N 3.3Å; A416-V458 HydrophobicContact CB-CG2 4.02Å
417	R	93.5	Very high	91	Very high	33 Å²	33	33.5 Å²	33.5	13%	0.125	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-47	174	167.9	173.1	37	170.4	-6.8	112	T413 A414 L415 A419 M420 L421 Y464 D491 L497 R552	T413-R417 VanDerWaalsContact O-CB 3.3Å; T413-R417 WeakPolarHBondContact O-CB 3.37Å; T413-R417 PolarHBondContact O-N 3.27Å; T413-R417 VanDerWaalsContact O-N 3.1Å; A414-R417 WeakPolarHBondContact O-CB 3.5Å; A414-R417 PolarHBondContact O-N 2.78Å; L415-R417 VanDerWaalsContact C-N 3.3Å; L415-R417 PolarHBondContact O-N 3.22Å; R417-A419 VanDerWaalsContact C-N 3.31Å; R417-A419 PolarHBondContact O-N 3.23Å; R417-M420 PolarHBondContact O-N 3.28Å; R417-L421 HydrophobicContact CG-CD1 3.8Å; R417-L421 HydrophobicContact CG-CG 4.37Å; R417-L421 WeakPolarHBondContact O-CB 3.45Å; R417-L421 VanDerWaalsContact O-CG 3.29Å; R417-L421 WeakPolarHBondContact O-CG 3.39Å; R417-L421 PolarHBondContact O-N 2.91Å; R417-Y464 WeakPolarHBondContact CD-OH 3.42Å; R417-Y464 HydrophobicContact CG-CE1 4.29Å; R417-D491 IonicContact NH1-OD2 2.87Å; R417-L497 HydrophobicContact CG-CD2 4.25Å; R417-R552 VanDerWaalsContact NH1-NH2 3.14Å
418	I	95.3	Very high	91.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-46.3	176.5	-59	164.7	0	0	0	109.8	A414 L415 M420 L421 C422 V499 F548 D550 V579	A414-I418 WeakPolarHBondContact O-CG1 3.34Å; A414-I418 PolarHBondContact O-N 3.04Å; L415-I418 PolarHBondContact O-N 3.1Å; I418-M420 VanDerWaalsContact C-N 3.34Å; I418-M420 PolarHBondContact O-N 2.91Å; I418-L421 PolarHBondContact O-N 3.22Å; I418-C422 HydrophobicContact CG2-CB 4.44Å; I418-C422 WeakPolarHBondContact O-CB 3.38Å; I418-C422 PolarHBondContact O-N 2.63Å; I418-V499 HydrophobicContact CB-CG1 4.46Å; I418-V499 HydrophobicContact CG1-CG1 4.06Å; I418-V499 HydrophobicContact CG2-CB 4.07Å; I418-V499 HydrophobicContact CG2-CG1 4.41Å; I418-F548 HydrophobicContact CB-CD1 4.36Å; I418-F548 HydrophobicContact CD1-CB 4.34Å; I418-F548 HydrophobicContact CG2-CB 4.05Å; I418-F548 HydrophobicContact CG2-CD1 3.72Å; I418-F548 HydrophobicContact CG2-CG 4.38Å; I418-D550 HydrophobicContact CD1-CB 3.82Å; I418-D550 HydrophobicContact CG1-CB 3.97Å; I418-V579 HydrophobicContact CD1-CB 3.72Å; I418-V579 HydrophobicContact CD1-CG1 4.15Å; I418-V579 HydrophobicContact CD1-CG2 3.55Å
419	A	94.9	Very high	91.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-61.2	-36.9	178.6	0	0	0	0	0	113.8	L415 A416 R417 N423 I450 T454 F548 M582	L415-A419 WeakPolarHBondContact O-CB 3.39Å; L415-A419 PolarHBondContact O-N 2.97Å; A416-A419 PolarHBondContact O-N 3.33Å; R417-A419 VanDerWaalsContact C-N 3.31Å; R417-A419 PolarHBondContact O-N 3.23Å; A419-N423 WeakPolarHBondContact O-CB 3.18Å; A419-I450 HydrophobicContact CB-CG2 3.58Å; A419-I450 WeakPolarHBondContact O-CG2 3.38Å; A419-T454 HydrophobicContact CB-CG2 3.68Å; A419-F548 HydrophobicContact CB-CE1 4.35Å; A419-M582 HydrophobicContact CB-CE 3.61Å; A419-M582 HydrophobicContact CB-SD 4.24Å
420	M	94	Very high	91.6	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.02	21%	0.211	C	C	.	.	H	α-helix	trans	-72.1	-44	174.9	-75.2	-173.9	-68	0	0	112	A416 R417 I418 T454 V458 V461 Y464 R465	A416-M420 WeakPolarHBondContact O-CB 3.23Å; A416-M420 VanDerWaalsContact O-CG 3.28Å; A416-M420 WeakPolarHBondContact O-CG 3.39Å; A416-M420 PolarHBondContact O-N 3.3Å; R417-M420 PolarHBondContact O-N 3.28Å; I418-M420 VanDerWaalsContact C-N 3.34Å; I418-M420 PolarHBondContact O-N 2.91Å; M420-T454 HydrophobicContact CG-CG2 3.76Å; M420-V458 HydrophobicContact CE-CG1 4.11Å; M420-V458 HydrophobicContact CE-CG2 4.45Å; M420-V458 HydrophobicContact SD-CB 4.29Å; M420-V458 HydrophobicContact SD-CG1 4.11Å; M420-V461 HydrophobicContact CB-CG1 4.23Å; M420-V461 HydrophobicContact CG-CG1 4.03Å; M420-V461 HydrophobicContact CG-CG2 4.03Å; M420-V461 HydrophobicContact SD-CG1 4.48Å; M420-V461 HydrophobicContact SD-CG2 3.96Å; M420-Y464 HydrophobicContact CB-CD1 4.27Å; M420-Y464 HydrophobicContact CE-CD1 3.69Å; M420-Y464 HydrophobicContact CE-CD2 4.18Å; M420-Y464 HydrophobicContact CE-CE1 3.63Å; M420-Y464 HydrophobicContact CE-CE2 4.13Å; M420-Y464 HydrophobicContact CE-CG 3.97Å; M420-Y464 HydrophobicContact SD-CD1 3.98Å; M420-Y464 HydrophobicContact SD-CG 4.06Å; M420-R465 PolarHBondContact O-NE 3.05Å; M420-R465 PolarHBondContact O-NH2 3.48Å
421	L	94.7	Very high	91.3	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-82.2	-45.5	-171.5	-65.7	-178	0	0	0	113.6	R417 I418 N423 Y464 N468 H487 L497 V499	R417-L421 HydrophobicContact CG-CD1 3.8Å; R417-L421 HydrophobicContact CG-CG 4.37Å; R417-L421 WeakPolarHBondContact O-CB 3.45Å; R417-L421 VanDerWaalsContact O-CG 3.29Å; R417-L421 WeakPolarHBondContact O-CG 3.39Å; R417-L421 PolarHBondContact O-N 2.91Å; I418-L421 PolarHBondContact O-N 3.22Å; L421-N423 PolarHBondContact O-N 3.39Å; L421-Y464 HydrophobicContact CD2-CD1 4.13Å; L421-Y464 HydrophobicContact CD2-CE1 4.08Å; L421-Y464 HydrophobicContact CG-CE1 4.28Å; L421-N468 HydrophobicContact CD1-CB 4.22Å; L421-N468 HydrophobicContact CD2-CB 3.51Å; L421-H487 HydrophobicContact CD1-CB 4.4Å; L421-L497 HydrophobicContact CD1-CD2 4.01Å; L421-V499 HydrophobicContact CB-CG2 4.15Å
422	C	94.4	Very high	90.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-85.1	56.6	-178.2	-159.2	0	0	0	0	110.5	I418 V499 K501	I418-C422 HydrophobicContact CG2-CB 4.44Å; I418-C422 WeakPolarHBondContact O-CB 3.38Å; I418-C422 PolarHBondContact O-N 2.63Å; C422-V499 HydrophobicContact CB-CB 4.19Å; C422-V499 HydrophobicContact CB-CG2 3.71Å; C422-K501 VanDerWaalsContact O-CD 3.23Å; C422-K501 WeakPolarHBondContact O-CD 3.26Å; C422-K501 WeakPolarHBondContact O-CE 3.14Å; C422-K501 PolarHBondContact O-NZ 2.77Å
423	N	92.8	Very high	90.5	Very high	2 Å²	2	49 Å²	49	1%	0.011	27%	0.268	C	S	.	.			trans	-153.9	130	-174.3	-174.6	-27.4	0	0	0	110.6	A419 L421 A425 E447 R465	A419-N423 WeakPolarHBondContact O-CB 3.18Å; L421-N423 PolarHBondContact O-N 3.39Å; N423-A425 WeakPolarHBondContact OD1-CB 3.36Å; N423-A425 PolarHBondContact OD1-N 2.67Å; N423-E447 WeakPolarHBondContact CA-OE1 3.4Å; N423-E447 PolarHBondContact ND2-O 3.19Å; N423-E447 WeakPolarHBondContact OD1-CB 3.47Å; N423-R465 PolarHBondContact O-NH2 2.96Å
424	R	90.8	Very high	90.3	Very high	142 Å²	142	49 Å²	49	54%	0.536	26%	0.261	S	S	.	.			trans	-96.7	-7.9	-179	-60.3	170.5	64	-176.4	0.8	113.7	E447 E473	R424-E447 WeakPolarHBondContact CB-OE2 3.34Å; R424-E447 PolarHBondContact N-OE1 3.15Å; R424-E447 PolarHBondContact N-OE2 3.3Å; R424-E473 VanDerWaalsContact CD-OE1 3.32Å; R424-E473 WeakPolarHBondContact CD-OE1 3.47Å; R424-E473 WeakPolarHBondContact CG-OE1 3.38Å
425	A	90.4	Very high	90	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.			trans	-67.1	140.3	178.6	0	0	0	0	0	111.4	N423 N442 E447 L451 R465	N423-A425 WeakPolarHBondContact OD1-CB 3.36Å; N423-A425 PolarHBondContact OD1-N 2.67Å; A425-N442 CarbonylContact C-O 3.49Å; A425-N442 WeakPolarHBondContact CA-O 3.39Å; A425-E447 HydrophobicContact CB-CB 3.77Å; A425-E447 PolarHBondContact N-OE2 2.68Å; A425-L451 HydrophobicContact CB-CB 4.27Å; A425-L451 HydrophobicContact CB-CD2 4.01Å; A425-R465 PolarHBondContact O-NH1 3.44Å
426	E	90.1	Very high	89.7	Confident	127 Å²	127	54 Å²	54	59%	0.593	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.6	178.4	-66.3	-176	167.8	0	0	110.6	C441 N442	E426-C441 CarbonylContact O-C 3.53Å; E426-C441 WeakPolarHBondContact O-CA 3.25Å; E426-C441 WeakPolarHBondContact O-CB 3.41Å; E426-N442 PolarHBondContact N-O 2.97Å; E426-N442 PolarHBondContact O-N 2.71Å
427	F	90.7	Very high	89.5	Confident	28 Å²	28	54.3 Å²	54.3	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	141.3	171.2	-66.9	-69	0	0	0	110.1	V436 R439 C441 L451 K452 E455	F427-V436 HydrophobicContact CZ-CG1 4.15Å; F427-R439 HydrophobicContact CD1-CB 3.7Å; F427-R439 HydrophobicContact CE1-CB 3.92Å; F427-C441 WeakPolarHBondContact CD1-SG 3.19Å; F427-C441 VanDerWaalsContact CE1-SG 3.51Å; F427-L451 HydrophobicContact CD1-CD2 4.36Å; F427-L451 HydrophobicContact CD2-CD2 4.07Å; F427-L451 HydrophobicContact CD2-CG 4.44Å; F427-L451 HydrophobicContact CE1-CD2 4.22Å; F427-L451 HydrophobicContact CE1-CG 4.48Å; F427-L451 HydrophobicContact CE2-CD1 4Å; F427-L451 HydrophobicContact CE2-CD2 3.91Å; F427-L451 HydrophobicContact CE2-CG 3.81Å; F427-L451 HydrophobicContact CG-CD2 4.29Å; F427-L451 HydrophobicContact CZ-CD1 4.47Å; F427-L451 HydrophobicContact CZ-CD2 3.98Å; F427-L451 HydrophobicContact CZ-CG 3.83Å; F427-K452 HydrophobicContact CE1-CG 4.17Å; F427-K452 HydrophobicContact CZ-CG 4.43Å; F427-E455 HydrophobicContact CE2-CB 4.06Å; F427-E455 HydrophobicContact CE2-CG 3.83Å; F427-E455 HydrophobicContact CZ-CB 4Å; F427-E455 HydrophobicContact CZ-CG 3.98Å
428	K	88.1	Confident	89.1	Confident	84 Å²	84	58.3 Å²	58.3	37%	0.365	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-64.7	146.9	171.8	-68.9	-171.5	-174.2	171.4	0	110.8	G430 E431 E440 N442	K428-G430 PolarHBondContact O-N 2.56Å; K428-E431 HydrophobicContact CB-CG 4.04Å; K428-E440 HydrophobicContact CB-CB 4.48Å; K428-E440 HydrophobicContact CD-CB 3.81Å; K428-E440 WeakPolarHBondContact CD-OE2 3.28Å; K428-E440 WeakPolarHBondContact CE-OE2 3.43Å; K428-E440 HydrophobicContact CG-CB 4.18Å; K428-E440 PolarHBondContact N-O 3.32Å; K428-E440 IonicContact NZ-OE2 3.8Å; K428-E440 PolarHBondContact NZ-OE2 3.4Å; K428-N442 WeakPolarHBondContact CE-OD1 3.42Å
429	T	85	Confident	88.8	Confident	146 Å²	146	60.4 Å²	60.4	90%	0.896	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	129.3	177	48.7	0	0	0	0	111
430	G	83.7	Confident	88.4	Confident	68 Å²	68	64.7 Å²	64.7	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	98	-0.6	176.6	0	0	0	0	0	115.9	K428 E432	K428-G430 PolarHBondContact O-N 2.56Å; G430-E432 VanDerWaalsContact C-N 3.33Å; G430-E432 PolarHBondContact O-N 2.94Å
431	E	83.9	Confident	88.1	Confident	28 Å²	28	65.7 Å²	65.7	13%	0.131	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-86.7	7	-175.8	-68.8	-73.2	120.8	0	0	114.5	K428 S433 K434 R439 E440	K428-E431 HydrophobicContact CB-CG 4.04Å; E431-S433 VanDerWaalsContact C-N 3.26Å; E431-S433 PolarHBondContact O-N 3.06Å; E431-K434 PolarHBondContact O-N 2.94Å; E431-K434 WeakPolarHBondContact OE1-CE 3.38Å; E431-K434 IonicContact OE1-NZ 2.66Å; E431-K434 PolarHBondContact OE1-NZ 3.4Å; E431-K434 VanDerWaalsContact OE2-CD 3.26Å; E431-K434 WeakPolarHBondContact OE2-CD 3.46Å; E431-K434 WeakPolarHBondContact OE2-CE 3.15Å; E431-K434 IonicContact OE2-NZ 3.59Å; E431-K434 PolarHBondContact OE2-NZ 2.84Å; E431-R439 HydrophobicContact CB-CB 4.14Å; E431-R439 HydrophobicContact CB-CG 4.14Å; E431-R439 WeakPolarHBondContact O-CD 3.34Å; E431-R439 WeakPolarHBondContact O-CG 3.33Å; E431-R439 PolarHBondContact O-NE 3.1Å; E431-E440 HydrophobicContact CG-CB 4.43Å; E431-E440 PolarHBondContact OE2-N 3.32Å
432	E	81.3	Confident	87.6	Confident	165 Å²	165	70 Å²	70	77%	0.771	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-63.6	-28.3	-172	-65.5	-177.8	-178.9	0	0	114	G430 K434 R439	G430-E432 VanDerWaalsContact C-N 3.33Å; G430-E432 PolarHBondContact O-N 2.94Å; E432-K434 VanDerWaalsContact C-N 3.31Å; E432-K434 PolarHBondContact O-N 2.88Å; E432-R439 PolarHBondContact O-NH2 3.46Å
433	S	85.2	Confident	87	Confident	115 Å²	115	72.3 Å²	72.3	80%	0.804	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-71.8	-22.5	179.3	61.9	0	0	0	0	113.7	E431	E431-S433 VanDerWaalsContact C-N 3.26Å; E431-S433 PolarHBondContact O-N 3.06Å
434	K	86.6	Confident	86.5	Confident	78 Å²	78	76.2 Å²	76.2	34%	0.339	42%	0.415	S	S	.	.	S	Bend	trans	-84.8	150.3	179.9	-60.3	-173.1	-161.7	154.8	0	110.7	E431 E432 R439	E431-K434 PolarHBondContact O-N 2.94Å; E431-K434 WeakPolarHBondContact OE1-CE 3.38Å; E431-K434 IonicContact OE1-NZ 2.66Å; E431-K434 PolarHBondContact OE1-NZ 3.4Å; E431-K434 VanDerWaalsContact OE2-CD 3.26Å; E431-K434 WeakPolarHBondContact OE2-CD 3.46Å; E431-K434 WeakPolarHBondContact OE2-CE 3.15Å; E431-K434 IonicContact OE2-NZ 3.59Å; E431-K434 PolarHBondContact OE2-NZ 2.84Å; E432-K434 VanDerWaalsContact C-N 3.31Å; E432-K434 PolarHBondContact O-N 2.88Å; K434-R439 HydrophobicContact CB-CG 4.22Å; K434-R439 PolarHBondContact O-NE 3.46Å
435	P	86.9	Confident	86.2	Confident	83 Å²	83	72 Å²	72	54%	0.539	41%	0.411	S	S	.	.			trans	-54.7	141.6	170.2	-23.8	33.3	0	0	0	111.5	L437 K438 R439	P435-L437 PolarHBondContact O-N 2.86Å; P435-K438 WeakPolarHBondContact O-CA 3.42Å; P435-K438 PolarHBondContact O-N 3.38Å; P435-R439 PolarHBondContact O-N 2.78Å
436	V	89.2	Confident	86.1	Confident	26 Å²	26	72.4 Å²	72.4	16%	0.158	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-48.3	-43.5	-173.1	177.7	0	0	0	0	112.9	F427 K438 R439 E455 L456	F427-V436 HydrophobicContact CZ-CG1 4.15Å; V436-K438 VanDerWaalsContact C-N 3.31Å; V436-K438 PolarHBondContact O-N 3.01Å; V436-R439 PolarHBondContact O-N 3.44Å; V436-E455 HydrophobicContact CG1-CB 3.88Å; V436-E455 HydrophobicContact CG1-CG 3.83Å; V436-E455 HydrophobicContact CG2-CG 4.21Å; V436-L456 HydrophobicContact CB-CD2 3.88Å; V436-L456 HydrophobicContact CB-CG 4.2Å; V436-L456 HydrophobicContact CG1-CD2 4.24Å; V436-L456 HydrophobicContact CG1-CG 3.99Å; V436-L456 HydrophobicContact CG2-CD2 4.23Å
437	L	87.5	Confident	86.2	Confident	8 Å²	8	66.8 Å²	66.8	4%	0.042	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-65.5	-30.7	-180	-73.8	-178.3	0	0	0	113.8	R379 Q400 P435 K452 L456	R379-L437 VanDerWaalsContact NH1-C 3.28Å; R379-L437 PolarHBondContact NH1-O 2.83Å; Q400-L437 HydrophobicContact CG-CD1 4.16Å; P435-L437 PolarHBondContact O-N 2.86Å; L437-K452 HydrophobicContact CD2-CB 4.28Å; L437-K452 PolarHBondContact O-NZ 2.91Å; L437-L456 HydrophobicContact CD1-CD1 4.45Å; L437-L456 HydrophobicContact CD2-CD1 3.72Å; L437-L456 HydrophobicContact CG-CD1 3.94Å
438	K	85.6	Confident	86.2	Confident	118 Å²	118	66.4 Å²	66.4	51%	0.513	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-92	-5	-179.6	-65.6	-169.3	178.3	-172.8	0	113.6	P435 V436	P435-K438 WeakPolarHBondContact O-CA 3.42Å; P435-K438 PolarHBondContact O-N 3.38Å; V436-K438 VanDerWaalsContact C-N 3.31Å; V436-K438 PolarHBondContact O-N 3.01Å
439	R	89.5	Confident	86.4	Confident	43 Å²	43	62.6 Å²	62.6	16%	0.162	37%	0.371	C	S	.	.	S	Bend	trans	-66.5	139.1	175.2	-62.6	-174.9	-177	170.9	-4.7	110.5	F427 E431 E432 K434 P435 V436 K452	F427-R439 HydrophobicContact CD1-CB 3.7Å; F427-R439 HydrophobicContact CE1-CB 3.92Å; E431-R439 HydrophobicContact CB-CB 4.14Å; E431-R439 HydrophobicContact CB-CG 4.14Å; E431-R439 WeakPolarHBondContact O-CD 3.34Å; E431-R439 WeakPolarHBondContact O-CG 3.33Å; E431-R439 PolarHBondContact O-NE 3.1Å; E432-R439 PolarHBondContact O-NH2 3.46Å; K434-R439 HydrophobicContact CB-CG 4.22Å; K434-R439 PolarHBondContact O-NE 3.46Å; P435-R439 PolarHBondContact O-N 2.78Å; V436-R439 PolarHBondContact O-N 3.44Å; R439-K452 VanDerWaalsContact O-CE 3.24Å; R439-K452 WeakPolarHBondContact O-CE 3.48Å; R439-K452 PolarHBondContact O-NZ 3.42Å
440	E	86.3	Confident	86.9	Confident	92 Å²	92	55.7 Å²	55.7	43%	0.43	33%	0.329	S	S	.	.			trans	-74.8	138.8	171.5	-67.7	-174.9	-163.3	0	0	111	K428 E431	K428-E440 HydrophobicContact CB-CB 4.48Å; K428-E440 HydrophobicContact CD-CB 3.81Å; K428-E440 WeakPolarHBondContact CD-OE2 3.28Å; K428-E440 WeakPolarHBondContact CE-OE2 3.43Å; K428-E440 HydrophobicContact CG-CB 4.18Å; K428-E440 PolarHBondContact N-O 3.32Å; K428-E440 IonicContact NZ-OE2 3.8Å; K428-E440 PolarHBondContact NZ-OE2 3.4Å; E431-E440 HydrophobicContact CG-CB 4.43Å; E431-E440 PolarHBondContact OE2-N 3.32Å
441	C	87	Confident	87.4	Confident	25 Å²	25	52.5 Å²	52.5	17%	0.169	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.1	179.1	-56.3	0	0	0	0	110.4	E426 F427 T448 K452	E426-C441 CarbonylContact O-C 3.53Å; E426-C441 WeakPolarHBondContact O-CA 3.25Å; E426-C441 WeakPolarHBondContact O-CB 3.41Å; F427-C441 WeakPolarHBondContact CD1-SG 3.19Å; F427-C441 VanDerWaalsContact CE1-SG 3.51Å; C441-T448 HydrophobicContact CB-CG2 3.64Å; C441-K452 VanDerWaalsContact SG-CE 3.58Å
442	N	85.1	Confident	87.8	Confident	91 Å²	91	52.1 Å²	52.1	49%	0.487	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.9	164	-63.8	-23.6	0	0	0	107.5	A425 E426 K428	A425-N442 CarbonylContact C-O 3.49Å; A425-N442 WeakPolarHBondContact CA-O 3.39Å; E426-N442 PolarHBondContact N-O 2.97Å; E426-N442 PolarHBondContact O-N 2.71Å; K428-N442 WeakPolarHBondContact CE-OD1 3.42Å
443	G	80.9	Confident	88.3	Confident	49 Å²	49	44.6 Å²	44.6	51%	0.505	26%	0.259	S	S	.	.	S	Bend	trans	147.6	171.1	-178.3	0	0	0	0	0	111.4
444	D	83.3	Confident	88.7	Confident	84 Å²	84	39.1 Å²	39.1	45%	0.449	22%	0.221	S	C	.	.			trans	-70.2	164.2	173.2	73.6	54.6	0	0	0	111.6	S446 E447 T448	D444-S446 VanDerWaalsContact C-N 3.3Å; D444-S446 PolarHBondContact O-N 3.48Å; D444-S446 WeakPolarHBondContact OD1-CA 3.47Å; D444-S446 WeakPolarHBondContact OD1-CB 3.43Å; D444-S446 PolarHBondContact OD1-N 3.15Å; D444-E447 PolarHBondContact O-N 3.36Å; D444-E447 WeakPolarHBondContact OD1-CB 3.38Å; D444-E447 PolarHBondContact OD1-N 3.24Å; D444-E447 WeakPolarHBondContact OD2-CG 3.48Å; D444-T448 VanDerWaalsContact O-CB 3.25Å; D444-T448 WeakPolarHBondContact O-CB 3.31Å; D444-T448 PolarHBondContact O-N 3.29Å; D444-T448 PolarHBondContact O-OG1 3.22Å
445	A	84.6	Confident	88.9	Confident	54 Å²	54	37 Å²	37	45%	0.446	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-36.8	-176.1	0	0	0	0	0	112.7	M380 A449	M380-A445 HydrophobicContact CB-CB 4.05Å; A445-A449 WeakPolarHBondContact O-CB 3.41Å; A445-A449 PolarHBondContact O-N 2.97Å
446	S	88.7	Confident	89	Confident	8 Å²	8	35.7 Å²	35.7	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-71.4	-44	-179.2	-66	0	0	0	0	112.1	D444 T448 A449 I450 R544 M584	D444-S446 VanDerWaalsContact C-N 3.3Å; D444-S446 PolarHBondContact O-N 3.48Å; D444-S446 WeakPolarHBondContact OD1-CA 3.47Å; D444-S446 WeakPolarHBondContact OD1-CB 3.43Å; D444-S446 PolarHBondContact OD1-N 3.15Å; S446-T448 VanDerWaalsContact C-N 3.35Å; S446-A449 WeakPolarHBondContact O-CB 3.39Å; S446-A449 PolarHBondContact O-N 2.93Å; S446-I450 WeakPolarHBondContact O-CD1 3.4Å; S446-I450 VanDerWaalsContact O-CG1 3.31Å; S446-I450 WeakPolarHBondContact O-CG1 3.24Å; S446-I450 PolarHBondContact O-N 2.9Å; S446-I450 VanDerWaalsContact O-N 3.12Å; S446-R544 PolarHBondContact OG-NE 3.21Å; S446-M584 WeakPolarHBondContact CA-SD 3.21Å; S446-M584 WeakPolarHBondContact CB-SD 3.45Å; S446-M584 PolarHBondContact OG-SD 2.72Å; S446-M584 VanDerWaalsContact OG-SD 3.32Å
447	E	90.7	Very high	88.9	Confident	10 Å²	10	35.6 Å²	35.6	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-64.7	-40.7	174.8	-74.1	-155.8	133.2	0	0	111.9	N423 R424 A425 D444 I450 L451 Q483 K501	N423-E447 WeakPolarHBondContact CA-OE1 3.4Å; N423-E447 PolarHBondContact ND2-O 3.19Å; N423-E447 WeakPolarHBondContact OD1-CB 3.47Å; R424-E447 WeakPolarHBondContact CB-OE2 3.34Å; R424-E447 PolarHBondContact N-OE1 3.15Å; R424-E447 PolarHBondContact N-OE2 3.3Å; A425-E447 HydrophobicContact CB-CB 3.77Å; A425-E447 PolarHBondContact N-OE2 2.68Å; D444-E447 PolarHBondContact O-N 3.36Å; D444-E447 WeakPolarHBondContact OD1-CB 3.38Å; D444-E447 PolarHBondContact OD1-N 3.24Å; D444-E447 WeakPolarHBondContact OD2-CG 3.48Å; E447-I450 PolarHBondContact O-N 3.31Å; E447-L451 WeakPolarHBondContact O-CB 2.97Å; E447-L451 PolarHBondContact O-N 3.47Å; E447-Q483 PolarHBondContact OE1-NE2 3.3Å; E447-Q483 PolarHBondContact OE1-OE1 3.35Å; E447-Q483 VanDerWaalsContact OE1-OE1 3.09Å; E447-K501 IonicContact OE1-NZ 2.79Å; E447-K501 PolarHBondContact OE1-NZ 2.93Å
448	T	91.9	Very high	88.8	Confident	20 Å²	20	38.7 Å²	38.7	12%	0.123	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-41.9	175.1	-63.3	0	0	0	0	111.5	C441 D444 S446 L451 K452	C441-T448 HydrophobicContact CB-CG2 3.64Å; D444-T448 VanDerWaalsContact O-CB 3.25Å; D444-T448 WeakPolarHBondContact O-CB 3.31Å; D444-T448 PolarHBondContact O-N 3.29Å; D444-T448 PolarHBondContact O-OG1 3.22Å; S446-T448 VanDerWaalsContact C-N 3.35Å; T448-L451 PolarHBondContact O-N 2.79Å; T448-K452 HydrophobicContact CG2-CD 4.07Å; T448-K452 WeakPolarHBondContact O-CB 3.5Å; T448-K452 WeakPolarHBondContact O-CG 3.23Å; T448-K452 PolarHBondContact O-N 2.8Å
449	A	92.6	Very high	88.9	Confident	3 Å²	3	34.1 Å²	34.1	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-47.4	175.8	0	0	0	0	0	111.5	M380 V382 A445 S446 K452 C453 M584	M380-A449 HydrophobicContact CB-CB 4.23Å; M380-A449 HydrophobicContact CG-CB 4.04Å; M380-A449 WeakPolarHBondContact O-CB 3.41Å; V382-A449 HydrophobicContact CG2-CB 4.45Å; A445-A449 WeakPolarHBondContact O-CB 3.41Å; A445-A449 PolarHBondContact O-N 2.97Å; S446-A449 WeakPolarHBondContact O-CB 3.39Å; S446-A449 PolarHBondContact O-N 2.93Å; A449-K452 PolarHBondContact O-N 3.31Å; A449-C453 WeakPolarHBondContact O-CB 3.27Å; A449-C453 PolarHBondContact O-N 3.43Å; A449-M584 HydrophobicContact CB-SD 4.31Å
450	I	94.3	Very high	88.7	Confident	1 Å²	1	38 Å²	38	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-42.8	178.4	-65.2	163.7	0	0	0	111.1	V382 A419 S446 E447 K452 C453 T454 L546 F548 M584	V382-I450 HydrophobicContact CG2-CG1 4.45Å; A419-I450 HydrophobicContact CB-CG2 3.58Å; A419-I450 WeakPolarHBondContact O-CG2 3.38Å; S446-I450 WeakPolarHBondContact O-CD1 3.4Å; S446-I450 VanDerWaalsContact O-CG1 3.31Å; S446-I450 WeakPolarHBondContact O-CG1 3.24Å; S446-I450 PolarHBondContact O-N 2.9Å; S446-I450 VanDerWaalsContact O-N 3.12Å; E447-I450 PolarHBondContact O-N 3.31Å; I450-K452 PolarHBondContact O-N 3.24Å; I450-C453 PolarHBondContact O-N 2.84Å; I450-T454 HydrophobicContact CG2-CG2 4.37Å; I450-T454 WeakPolarHBondContact O-CG2 3.38Å; I450-T454 PolarHBondContact O-N 3.42Å; I450-T454 PolarHBondContact O-OG1 2.83Å; I450-L546 HydrophobicContact CD1-CD1 3.96Å; I450-F548 HydrophobicContact CD1-CE1 4.33Å; I450-F548 HydrophobicContact CD1-CZ 3.85Å; I450-M584 HydrophobicContact CD1-CE 3.95Å; I450-M584 HydrophobicContact CG1-CE 3.86Å
451	L	94.5	Very high	89	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-49.3	177.3	174.3	66.5	0	0	0	110.6	A425 F427 E447 T448 C453 T454 E455 V461	A425-L451 HydrophobicContact CB-CB 4.27Å; A425-L451 HydrophobicContact CB-CD2 4.01Å; F427-L451 HydrophobicContact CD1-CD2 4.36Å; F427-L451 HydrophobicContact CD2-CD2 4.07Å; F427-L451 HydrophobicContact CD2-CG 4.44Å; F427-L451 HydrophobicContact CE1-CD2 4.22Å; F427-L451 HydrophobicContact CE1-CG 4.48Å; F427-L451 HydrophobicContact CE2-CD1 4Å; F427-L451 HydrophobicContact CE2-CD2 3.91Å; F427-L451 HydrophobicContact CE2-CG 3.81Å; F427-L451 HydrophobicContact CG-CD2 4.29Å; F427-L451 HydrophobicContact CZ-CD1 4.47Å; F427-L451 HydrophobicContact CZ-CD2 3.98Å; F427-L451 HydrophobicContact CZ-CG 3.83Å; E447-L451 WeakPolarHBondContact O-CB 2.97Å; E447-L451 PolarHBondContact O-N 3.47Å; T448-L451 PolarHBondContact O-N 2.79Å; L451-C453 VanDerWaalsContact C-N 3.34Å; L451-C453 PolarHBondContact O-N 2.88Å; L451-T454 PolarHBondContact O-N 3.01Å; L451-T454 PolarHBondContact O-OG1 3.33Å; L451-E455 WeakPolarHBondContact O-CB 3.42Å; L451-E455 PolarHBondContact O-N 3.38Å; L451-V461 HydrophobicContact CD1-CB 4.22Å; L451-V461 HydrophobicContact CD1-CG1 3.81Å
452	K	92.8	Very high	89	Confident	19 Å²	19	38 Å²	38	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-41.7	178.7	-73.7	177.2	174.1	-174.1	0	111.8	F427 L437 R439 C441 T448 A449 I450 L456	F427-K452 HydrophobicContact CE1-CG 4.17Å; F427-K452 HydrophobicContact CZ-CG 4.43Å; L437-K452 HydrophobicContact CD2-CB 4.28Å; L437-K452 PolarHBondContact O-NZ 2.91Å; R439-K452 VanDerWaalsContact O-CE 3.24Å; R439-K452 WeakPolarHBondContact O-CE 3.48Å; R439-K452 PolarHBondContact O-NZ 3.42Å; C441-K452 VanDerWaalsContact SG-CE 3.58Å; T448-K452 HydrophobicContact CG2-CD 4.07Å; T448-K452 WeakPolarHBondContact O-CB 3.5Å; T448-K452 WeakPolarHBondContact O-CG 3.23Å; T448-K452 PolarHBondContact O-N 2.8Å; A449-K452 PolarHBondContact O-N 3.31Å; I450-K452 PolarHBondContact O-N 3.24Å; K452-L456 WeakPolarHBondContact O-CB 3.44Å; K452-L456 VanDerWaalsContact O-CG 3.26Å; K452-L456 WeakPolarHBondContact O-CG 3.49Å; K452-L456 PolarHBondContact O-N 3.28Å
453	C	92.1	Very high	89.2	Confident	8 Å²	8	38.3 Å²	38.3	5%	0.054	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-49.6	175.9	-179.9	0	0	0	0	111.9	V382 A449 I450 L451 E455 L456 Y457	V382-C453 HydrophobicContact CB-CB 3.95Å; V382-C453 HydrophobicContact CG2-CB 3.65Å; A449-C453 WeakPolarHBondContact O-CB 3.27Å; A449-C453 PolarHBondContact O-N 3.43Å; I450-C453 PolarHBondContact O-N 2.84Å; L451-C453 VanDerWaalsContact C-N 3.34Å; L451-C453 PolarHBondContact O-N 2.88Å; C453-E455 PolarHBondContact O-N 3.27Å; C453-L456 PolarHBondContact O-N 3.45Å; C453-Y457 WeakPolarHBondContact O-CD2 3.26Å; C453-Y457 PolarHBondContact O-N 2.99Å
454	T	91.8	Very high	89.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-38.4	179.8	53.2	0	0	0	0	112.6	A419 M420 I450 L451 L456 Y457 V458 G459	A419-T454 HydrophobicContact CB-CG2 3.68Å; M420-T454 HydrophobicContact CG-CG2 3.76Å; I450-T454 HydrophobicContact CG2-CG2 4.37Å; I450-T454 WeakPolarHBondContact O-CG2 3.38Å; I450-T454 PolarHBondContact O-N 3.42Å; I450-T454 PolarHBondContact O-OG1 2.83Å; L451-T454 PolarHBondContact O-N 3.01Å; L451-T454 PolarHBondContact O-OG1 3.33Å; T454-L456 VanDerWaalsContact C-N 3.35Å; T454-L456 PolarHBondContact O-N 2.81Å; T454-Y457 PolarHBondContact O-N 3.17Å; T454-V458 WeakPolarHBondContact O-CA 3.48Å; T454-V458 WeakPolarHBondContact O-CB 3.37Å; T454-V458 PolarHBondContact O-N 3.09Å; T454-G459 PolarHBondContact O-N 3.49Å
455	E	91.9	Very high	90.1	Very high	34 Å²	34	37.4 Å²	37.4	16%	0.159	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-35.6	174.7	-171.2	65	-146.8	0	0	112.1	F427 V436 L451 C453 G459 K460 V461	F427-E455 HydrophobicContact CE2-CB 4.06Å; F427-E455 HydrophobicContact CE2-CG 3.83Å; F427-E455 HydrophobicContact CZ-CB 4Å; F427-E455 HydrophobicContact CZ-CG 3.98Å; V436-E455 HydrophobicContact CG1-CB 3.88Å; V436-E455 HydrophobicContact CG1-CG 3.83Å; V436-E455 HydrophobicContact CG2-CG 4.21Å; L451-E455 WeakPolarHBondContact O-CB 3.42Å; L451-E455 PolarHBondContact O-N 3.38Å; C453-E455 PolarHBondContact O-N 3.27Å; E455-G459 WeakPolarHBondContact O-CA 3.43Å; E455-G459 PolarHBondContact O-N 3.5Å; E455-K460 PolarHBondContact OE1-N 3.48Å; E455-K460 PolarHBondContact OE2-N 2.81Å; E455-V461 HydrophobicContact CB-CG2 4.06Å; E455-V461 VanDerWaalsContact OE2-CB 3.3Å; E455-V461 WeakPolarHBondContact OE2-CB 3.44Å; E455-V461 WeakPolarHBondContact OE2-CG2 3.24Å; E455-V461 PolarHBondContact OE2-N 3.28Å
456	L	89	Confident	90.4	Very high	54 Å²	54	38.6 Å²	38.6	28%	0.283	21%	0.205	S	C	.	.	H	α-helix	trans	-69.1	-43.7	175.2	-77.2	168.5	0	0	0	112.9	Q400 V436 L437 K452 C453 T454	Q400-L456 HydrophobicContact CG-CD2 4.36Å; V436-L456 HydrophobicContact CB-CD2 3.88Å; V436-L456 HydrophobicContact CB-CG 4.2Å; V436-L456 HydrophobicContact CG1-CD2 4.24Å; V436-L456 HydrophobicContact CG1-CG 3.99Å; V436-L456 HydrophobicContact CG2-CD2 4.23Å; L437-L456 HydrophobicContact CD1-CD1 4.45Å; L437-L456 HydrophobicContact CD2-CD1 3.72Å; L437-L456 HydrophobicContact CG-CD1 3.94Å; K452-L456 WeakPolarHBondContact O-CB 3.44Å; K452-L456 VanDerWaalsContact O-CG 3.26Å; K452-L456 WeakPolarHBondContact O-CG 3.49Å; K452-L456 PolarHBondContact O-N 3.28Å; C453-L456 PolarHBondContact O-N 3.45Å; T454-L456 VanDerWaalsContact C-N 3.35Å; T454-L456 PolarHBondContact O-N 2.81Å
457	Y	86.5	Confident	90.5	Very high	25 Å²	25	44.4 Å²	44.4	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-89.4	-34.1	-171.1	-71.8	-63.7	0	0	0	114.3	D395 F405 K407 W412 C453 T454	D395-Y457 PolarHBondContact N-OH 2.92Å; F405-Y457 HydrophobicContact CD1-CE1 4.33Å; F405-Y457 HydrophobicContact CE1-CD1 4.05Å; F405-Y457 HydrophobicContact CE1-CD2 4.23Å; F405-Y457 AromaticContact CE1-CE1 3.58Å; F405-Y457 HydrophobicContact CE1-CE1 3.58Å; F405-Y457 AromaticContact CE1-CE2 3.8Å; F405-Y457 HydrophobicContact CE1-CE2 3.8Å; F405-Y457 HydrophobicContact CE1-CG 4.36Å; F405-Y457 AromaticContact CE1-CZ 3.45Å; F405-Y457 VanDerWaalsContact CE1-CZ 3.45Å; F405-Y457 HydrophobicContact CZ-CD1 4.2Å; F405-Y457 HydrophobicContact CZ-CD2 4.25Å; F405-Y457 HydrophobicContact CZ-CE1 4.2Å; F405-Y457 HydrophobicContact CZ-CE2 4.27Å; F405-Y457 HydrophobicContact CZ-CG 4.23Å; K407-Y457 PolarHBondContact NZ-O 3.28Å; W412-Y457 HydrophobicContact CZ2-CG 4.4Å; C453-Y457 WeakPolarHBondContact O-CD2 3.26Å; C453-Y457 PolarHBondContact O-N 2.99Å; T454-Y457 PolarHBondContact O-N 3.17Å
458	V	86.7	Confident	90.5	Very high	72 Å²	72	44.4 Å²	44.4	44%	0.436	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-47.2	-178.3	-173.9	0	0	0	0	111	A416 M420 T454	A416-V458 HydrophobicContact CB-CG2 4.02Å; M420-V458 HydrophobicContact CE-CG1 4.11Å; M420-V458 HydrophobicContact CE-CG2 4.45Å; M420-V458 HydrophobicContact SD-CB 4.29Å; M420-V458 HydrophobicContact SD-CG1 4.11Å; T454-V458 WeakPolarHBondContact O-CA 3.48Å; T454-V458 WeakPolarHBondContact O-CB 3.37Å; T454-V458 PolarHBondContact O-N 3.09Å
459	G	86.9	Confident	90.5	Very high	23 Å²	23	50.4 Å²	50.4	24%	0.237	25%	0.25	C	C	.	.			trans	80.2	157.8	-175.4	0	0	0	0	0	113.9	T454 E455 V461	T454-G459 PolarHBondContact O-N 3.49Å; E455-G459 WeakPolarHBondContact O-CA 3.43Å; E455-G459 PolarHBondContact O-N 3.5Å; G459-V461 PolarHBondContact O-N 3.18Å
460	K	85.9	Confident	90.4	Very high	124 Å²	124	54.1 Å²	54.1	54%	0.539	27%	0.266	S	S	.	.			trans	58.6	43.6	173.7	-62.1	167.6	155.8	-110	0	113.2	E455 I462 E463 Y464	E455-K460 PolarHBondContact OE1-N 3.48Å; E455-K460 PolarHBondContact OE2-N 2.81Å; K460-I462 PolarHBondContact O-N 3.23Å; K460-E463 HydrophobicContact CB-CB 4.23Å; K460-E463 HydrophobicContact CB-CG 4.3Å; K460-E463 WeakPolarHBondContact CD-OE2 3.22Å; K460-E463 VanDerWaalsContact NZ-CD 3.27Å; K460-E463 IonicContact NZ-OE1 3.95Å; K460-E463 PolarHBondContact NZ-OE1 3.46Å; K460-E463 IonicContact NZ-OE2 3.79Å; K460-E463 PolarHBondContact NZ-OE2 3.33Å; K460-E463 PolarHBondContact O-N 2.83Å; K460-E463 VanDerWaalsContact O-N 3.17Å; K460-Y464 PolarHBondContact O-N 3.02Å
461	V	90.9	Very high	90.3	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-36	-177.6	176.7	0	0	0	0	111.6	M420 L451 E455 G459 Y464 R465	M420-V461 HydrophobicContact CB-CG1 4.23Å; M420-V461 HydrophobicContact CG-CG1 4.03Å; M420-V461 HydrophobicContact CG-CG2 4.03Å; M420-V461 HydrophobicContact SD-CG1 4.48Å; M420-V461 HydrophobicContact SD-CG2 3.96Å; L451-V461 HydrophobicContact CD1-CB 4.22Å; L451-V461 HydrophobicContact CD1-CG1 3.81Å; E455-V461 HydrophobicContact CB-CG2 4.06Å; E455-V461 VanDerWaalsContact OE2-CB 3.3Å; E455-V461 WeakPolarHBondContact OE2-CB 3.44Å; E455-V461 WeakPolarHBondContact OE2-CG2 3.24Å; E455-V461 PolarHBondContact OE2-N 3.28Å; G459-V461 PolarHBondContact O-N 3.18Å; V461-Y464 PolarHBondContact O-N 2.89Å; V461-R465 HydrophobicContact CG1-CG 4.29Å; V461-R465 WeakPolarHBondContact O-CG 3.46Å; V461-R465 PolarHBondContact O-N 3.45Å
462	I	88.3	Confident	90.1	Very high	117 Å²	117	57.3 Å²	57.3	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-62.4	-48	178	-60.4	172.9	0	0	0	111	K460 Y464 R465 A466	K460-I462 PolarHBondContact O-N 3.23Å; I462-Y464 VanDerWaalsContact C-N 3.28Å; I462-Y464 PolarHBondContact O-N 3.03Å; I462-R465 PolarHBondContact O-N 3.33Å; I462-A466 WeakPolarHBondContact O-CB 3.48Å; I462-A466 PolarHBondContact O-N 3.03Å
463	E	89.4	Confident	90	Very high	97 Å²	97	58.1 Å²	58.1	45%	0.453	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-38.8	176.4	-62.7	177.3	-158.1	0	0	110.9	K460 A466 K467	K460-E463 HydrophobicContact CB-CB 4.23Å; K460-E463 HydrophobicContact CB-CG 4.3Å; K460-E463 WeakPolarHBondContact CD-OE2 3.22Å; K460-E463 VanDerWaalsContact NZ-CD 3.27Å; K460-E463 IonicContact NZ-OE1 3.95Å; K460-E463 PolarHBondContact NZ-OE1 3.46Å; K460-E463 IonicContact NZ-OE2 3.79Å; K460-E463 PolarHBondContact NZ-OE2 3.33Å; K460-E463 PolarHBondContact O-N 2.83Å; K460-E463 VanDerWaalsContact O-N 3.17Å; E463-A466 PolarHBondContact O-N 2.88Å; E463-K467 WeakPolarHBondContact O-CG 3.34Å; E463-K467 PolarHBondContact O-N 3.02Å; E463-K467 VanDerWaalsContact O-N 3.11Å
464	Y	91.1	Very high	89.9	Confident	68 Å²	68	58.7 Å²	58.7	27%	0.267	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-44.2	178.6	-167.4	-88.9	0	0	0	112.3	R417 M420 L421 K460 V461 I462 A466 K467 N468	R417-Y464 WeakPolarHBondContact CD-OH 3.42Å; R417-Y464 HydrophobicContact CG-CE1 4.29Å; M420-Y464 HydrophobicContact CB-CD1 4.27Å; M420-Y464 HydrophobicContact CE-CD1 3.69Å; M420-Y464 HydrophobicContact CE-CD2 4.18Å; M420-Y464 HydrophobicContact CE-CE1 3.63Å; M420-Y464 HydrophobicContact CE-CE2 4.13Å; M420-Y464 HydrophobicContact CE-CG 3.97Å; M420-Y464 HydrophobicContact SD-CD1 3.98Å; M420-Y464 HydrophobicContact SD-CG 4.06Å; L421-Y464 HydrophobicContact CD2-CD1 4.13Å; L421-Y464 HydrophobicContact CD2-CE1 4.08Å; L421-Y464 HydrophobicContact CG-CE1 4.28Å; K460-Y464 PolarHBondContact O-N 3.02Å; V461-Y464 PolarHBondContact O-N 2.89Å; I462-Y464 VanDerWaalsContact C-N 3.28Å; I462-Y464 PolarHBondContact O-N 3.03Å; Y464-A466 VanDerWaalsContact C-N 3.34Å; Y464-K467 PolarHBondContact O-N 3.05Å; Y464-N468 WeakPolarHBondContact CE1-ND2 3.31Å; Y464-N468 PolarHBondContact O-N 2.89Å; Y464-N468 VanDerWaalsContact O-N 3.14Å; Y464-N468 PolarHBondContact O-ND2 2.94Å
465	R	92.4	Very high	89.6	Confident	46 Å²	46	61.7 Å²	61.7	17%	0.174	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-37.7	175.1	-73.6	178.5	-179	174.9	3.3	111.9	M420 N423 A425 V461 I462 K467 N468	M420-R465 PolarHBondContact O-NE 3.05Å; M420-R465 PolarHBondContact O-NH2 3.48Å; N423-R465 PolarHBondContact O-NH2 2.96Å; A425-R465 PolarHBondContact O-NH1 3.44Å; V461-R465 HydrophobicContact CG1-CG 4.29Å; V461-R465 WeakPolarHBondContact O-CG 3.46Å; V461-R465 PolarHBondContact O-N 3.45Å; I462-R465 PolarHBondContact O-N 3.33Å; R465-K467 VanDerWaalsContact C-N 3.33Å; R465-K467 PolarHBondContact O-N 3.15Å; R465-N468 CarbonylContact O-C 3.33Å; R465-N468 PolarHBondContact O-N 3.41Å
466	A	90.5	Very high	89.3	Confident	79 Å²	79	65.3 Å²	65.3	65%	0.653	32%	0.323	S	S	*	.	H	α-helix	trans	-64.3	-37	177	0	0	0	0	0	112.5	I462 E463 Y464	I462-A466 WeakPolarHBondContact O-CB 3.48Å; I462-A466 PolarHBondContact O-N 3.03Å; E463-A466 PolarHBondContact O-N 2.88Å; Y464-A466 VanDerWaalsContact C-N 3.34Å
467	K	90.6	Very high	88.7	Confident	130 Å²	130	66.4 Å²	66.4	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-71	-29.9	174.3	-71	-179.9	-179.7	-172.2	0	113.4	E463 Y464 R465 D490	E463-K467 WeakPolarHBondContact O-CG 3.34Å; E463-K467 PolarHBondContact O-N 3.02Å; E463-K467 VanDerWaalsContact O-N 3.11Å; Y464-K467 PolarHBondContact O-N 3.05Å; R465-K467 VanDerWaalsContact C-N 3.33Å; R465-K467 PolarHBondContact O-N 3.15Å; K467-D490 HydrophobicContact CB-CB 4.33Å
468	N	91.2	Very high	88.1	Confident	10 Å²	10	69.8 Å²	69.8	5%	0.053	36%	0.356	C	S	.	.	S	Bend	trans	-106.2	72.7	-178.4	-65.1	-86.2	0	0	0	110.8	L421 Y464 R465 K470 H487 E488	L421-N468 HydrophobicContact CD1-CB 4.22Å; L421-N468 HydrophobicContact CD2-CB 3.51Å; Y464-N468 WeakPolarHBondContact CE1-ND2 3.31Å; Y464-N468 PolarHBondContact O-N 2.89Å; Y464-N468 VanDerWaalsContact O-N 3.14Å; Y464-N468 PolarHBondContact O-ND2 2.94Å; R465-N468 CarbonylContact O-C 3.33Å; R465-N468 PolarHBondContact O-N 3.41Å; N468-K470 PolarHBondContact O-N 3.15Å; N468-H487 PolarHBondContact O-ND1 3.29Å; N468-E488 CarbonylContact C-O 3.56Å; N468-E488 WeakPolarHBondContact CA-O 3.39Å
469	R	90.1	Very high	87.6	Confident	146 Å²	146	71.8 Å²	71.8	55%	0.551	37%	0.369	S	S	*	.			trans	-57	123	-169.9	-176.2	173.2	69.3	158.8	6.5	111.6	H487 E488	R469-H487 CarbonylContact O-C 3.53Å; R469-H487 VanDerWaalsContact O-CA 3.26Å; R469-H487 WeakPolarHBondContact O-CA 3.32Å; R469-E488 HydrophobicContact CB-CB 4.5Å; R469-E488 IonicContact CZ-OE2 3.59Å; R469-E488 PolarHBondContact N-O 2.95Å; R469-E488 IonicContact NE-OE2 3.06Å; R469-E488 PolarHBondContact NE-OE2 2.93Å; R469-E488 VanDerWaalsContact NH2-CD 3.26Å; R469-E488 IonicContact NH2-OE1 2.92Å; R469-E488 PolarHBondContact NH2-OE1 3.18Å; R469-E488 IonicContact NH2-OE2 3.8Å; R469-E488 PolarHBondContact NH2-OE2 3.1Å; R469-E488 PolarHBondContact O-N 2.87Å
470	K	91.9	Very high	87.4	Confident	82 Å²	82	73.5 Å²	73.5	36%	0.357	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124.3	174.1	-176.3	-173.5	-76.9	-176.9	0	109.8	N468 E473	N468-K470 PolarHBondContact O-N 3.15Å; K470-E473 HydrophobicContact CD-CB 4Å; K470-E473 IonicContact NZ-OE1 3.54Å; K470-E473 IonicContact NZ-OE2 2.77Å; K470-E473 PolarHBondContact NZ-OE2 2.79Å
471	I	91.1	Very high	87.4	Confident	61 Å²	61	71.6 Å²	71.6	31%	0.313	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-40.8	179.9	-57.6	168.1	0	0	0	111.1	I486 E488 Y496 F564	I471-I486 PolarHBondContact N-O 2.82Å; I471-E488 HydrophobicContact CD1-CG 3.65Å; I471-E488 HydrophobicContact CG1-CG 4.27Å; I471-Y496 HydrophobicContact CD1-CD1 3.33Å; I471-Y496 HydrophobicContact CD1-CE1 3.1Å; I471-Y496 HydrophobicContact CD1-CG 4.37Å; I471-F564 HydrophobicContact CD1-CE2 4.4Å; I471-F564 HydrophobicContact CG2-CD2 3.95Å; I471-F564 HydrophobicContact CG2-CE2 4.49Å
472	L	91.3	Very high	87.5	Confident	9 Å²	9	72.1 Å²	72.1	5%	0.047	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.6	-175.8	-169.4	90.8	0	0	0	108.6	S485 I486 F564 E566 F571	L472-S485 CarbonylContact O-C 3.51Å; L472-S485 VanDerWaalsContact O-CA 3.24Å; L472-S485 WeakPolarHBondContact O-CA 3.44Å; L472-S485 WeakPolarHBondContact O-CB 3.4Å; L472-I486 HydrophobicContact CB-CB 4.23Å; L472-I486 HydrophobicContact CB-CD1 4.4Å; L472-I486 HydrophobicContact CB-CG1 4.42Å; L472-I486 HydrophobicContact CD2-CD1 3.88Å; L472-I486 HydrophobicContact CD2-CG1 4.39Å; L472-I486 PolarHBondContact O-N 2.92Å; L472-F564 HydrophobicContact CB-CB 4.19Å; L472-F564 HydrophobicContact CD1-CB 3.81Å; L472-F564 HydrophobicContact CD2-CB 3.98Å; L472-F564 HydrophobicContact CG-CB 4.21Å; L472-E566 HydrophobicContact CD1-CB 4.39Å; L472-E566 HydrophobicContact CD1-CG 3.25Å; L472-E566 HydrophobicContact CG-CG 3.96Å; L472-F571 HydrophobicContact CD2-CD1 4.36Å; L472-F571 HydrophobicContact CD2-CE1 3.34Å; L472-F571 HydrophobicContact CD2-CE2 4.46Å; L472-F571 HydrophobicContact CD2-CZ 3.39Å
473	E	90.6	Very high	87.7	Confident	36 Å²	36	66.9 Å²	66.9	17%	0.168	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	132.3	168.2	171.5	168.1	-150.1	0	0	110.6	R424 K470 Q483 L484	R424-E473 VanDerWaalsContact CD-OE1 3.32Å; R424-E473 WeakPolarHBondContact CD-OE1 3.47Å; R424-E473 WeakPolarHBondContact CG-OE1 3.38Å; K470-E473 HydrophobicContact CD-CB 4Å; K470-E473 IonicContact NZ-OE1 3.54Å; K470-E473 IonicContact NZ-OE2 2.77Å; K470-E473 PolarHBondContact NZ-OE2 2.79Å; E473-Q483 PolarHBondContact OE1-NE2 3.18Å; E473-L484 CarbonylContact C-O 3.48Å; E473-L484 WeakPolarHBondContact CA-O 2.97Å
474	I	90.1	Very high	87.9	Confident	20 Å²	20	62.2 Å²	62.2	10%	0.103	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	108.4	163.5	-61.5	-178.6	0	0	0	106.2	Q483 L484 P569 F571	I474-Q483 WeakPolarHBondContact O-CA 3.3Å; I474-L484 HydrophobicContact CB-CB 4.41Å; I474-L484 HydrophobicContact CD1-CD2 4.24Å; I474-L484 HydrophobicContact CG1-CD2 4.26Å; I474-L484 PolarHBondContact N-O 3.04Å; I474-L484 PolarHBondContact O-N 2.97Å; I474-P569 HydrophobicContact CD1-CG 4.5Å; I474-F571 HydrophobicContact CD1-CE2 4.43Å; I474-F571 HydrophobicContact CD1-CZ 3.9Å
475	P	86.2	Confident	88.1	Confident	62 Å²	62	59 Å²	59	40%	0.403	31%	0.305	S	S	.	.			trans	-64.8	160.7	179.6	28.4	-34.8	0	0	0	110.7	N477	P475-N477 PolarHBondContact O-N 2.81Å
476	F	85.3	Confident	88.2	Confident	111 Å²	111	56.8 Å²	56.8	49%	0.487	30%	0.297	S	S	.	.			trans	-58.2	126.2	176	-176.1	-92	0	0	0	111	Q483	F476-Q483 HydrophobicContact CB-CB 4.23Å
477	N	76.5	Confident	88.3	Confident	76 Å²	76	53.2 Å²	53.2	41%	0.406	27%	0.267	S	S	.	.			trans	-122.8	133.2	174.3	-178.6	-22.5	0	0	0	109.1	P475 T479 N480 K481	P475-N477 PolarHBondContact O-N 2.81Å; N477-T479 PolarHBondContact O-N 3.05Å; N477-T479 VanDerWaalsContact O-N 3.14Å; N477-T479 WeakPolarHBondContact OD1-CB 3.26Å; N477-T479 PolarHBondContact OD1-N 3.48Å; N477-T479 PolarHBondContact OD1-OG1 3.05Å; N477-N480 HydrophobicContact CB-CB 4.42Å; N477-N480 PolarHBondContact O-N 2.94Å; N477-N480 VanDerWaalsContact O-N 3.1Å; N477-K481 PolarHBondContact O-N 3.23Å
478	S	72.7	Confident	88.3	Confident	96 Å²	96	49.7 Å²	49.7	67%	0.671	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.2	178.6	-52.7	0	0	0	0	113.8	K481	S478-K481 WeakPolarHBondContact O-CG 3.3Å
479	T	76.1	Confident	88	Confident	114 Å²	114	50.3 Å²	50.3	70%	0.699	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-45	177.9	-47	0	0	0	0	111.2	N477	N477-T479 PolarHBondContact O-N 3.05Å; N477-T479 VanDerWaalsContact O-N 3.14Å; N477-T479 WeakPolarHBondContact OD1-CB 3.26Å; N477-T479 PolarHBondContact OD1-N 3.48Å; N477-T479 PolarHBondContact OD1-OG1 3.05Å
480	N	82.2	Confident	87.6	Confident	59 Å²	59	48.6 Å²	48.6	32%	0.316	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-29.9	-175.5	-71.1	-8	0	0	0	112.7	N477 Y482	N477-N480 HydrophobicContact CB-CB 4.42Å; N477-N480 PolarHBondContact O-N 2.94Å; N477-N480 VanDerWaalsContact O-N 3.1Å; N480-Y482 HydrophobicContact CB-CD1 3.93Å; N480-Y482 HydrophobicContact CB-CE1 3.64Å; N480-Y482 WeakPolarHBondContact O-CD1 3.18Å; N480-Y482 PolarHBondContact O-N 3.21Å
481	K	87.5	Confident	87	Confident	84 Å²	84	47.7 Å²	47.7	37%	0.365	26%	0.257	S	S	.	.			trans	59.3	22.9	-177.2	-59.3	-171.8	174.3	-167.9	0	115.5	N477 S478 G502 A503 R506	N477-K481 PolarHBondContact O-N 3.23Å; S478-K481 WeakPolarHBondContact O-CG 3.3Å; K481-G502 WeakPolarHBondContact O-CA 3.24Å; K481-A503 HydrophobicContact CB-CB 4.25Å; K481-A503 HydrophobicContact CD-CB 4.48Å; K481-A503 PolarHBondContact O-N 2.89Å; K481-A503 VanDerWaalsContact O-N 3.1Å; K481-R506 HydrophobicContact CB-CG 4.1Å; K481-R506 HydrophobicContact CD-CG 4.24Å
482	Y	92	Very high	86.2	Confident	12 Å²	12	52.9 Å²	52.9	5%	0.047	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	159.3	171.9	65.6	-99.6	0	0	0	111.1	N480 L484 M500 K501	N480-Y482 HydrophobicContact CB-CD1 3.93Å; N480-Y482 HydrophobicContact CB-CE1 3.64Å; N480-Y482 WeakPolarHBondContact O-CD1 3.18Å; N480-Y482 PolarHBondContact O-N 3.21Å; Y482-L484 HydrophobicContact CD2-CB 4.22Å; Y482-L484 HydrophobicContact CE2-CB 4.31Å; Y482-M500 HydrophobicContact CD1-SD 4.5Å; Y482-M500 HydrophobicContact CD2-CE 3.9Å; Y482-M500 HydrophobicContact CD2-CG 4.12Å; Y482-M500 HydrophobicContact CD2-SD 4.01Å; Y482-M500 HydrophobicContact CE2-CE 4.03Å; Y482-M500 HydrophobicContact CG-CE 4.33Å; Y482-M500 HydrophobicContact CG-CG 4.29Å; Y482-M500 HydrophobicContact CG-SD 3.93Å; Y482-K501 CarbonylContact C-O 3.57Å; Y482-K501 VanDerWaalsContact CA-O 3.3Å; Y482-K501 WeakPolarHBondContact CA-O 3.34Å
483	Q	93.3	Very high	85.7	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.028	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.2	166.8	178.9	178.6	-6.6	0	0	107.7	E447 E473 I474 F476 M500 K501	E447-Q483 PolarHBondContact OE1-NE2 3.3Å; E447-Q483 PolarHBondContact OE1-OE1 3.35Å; E447-Q483 VanDerWaalsContact OE1-OE1 3.09Å; E473-Q483 PolarHBondContact OE1-NE2 3.18Å; I474-Q483 WeakPolarHBondContact O-CA 3.3Å; F476-Q483 HydrophobicContact CB-CB 4.23Å; Q483-M500 VanDerWaalsContact O-CA 3.3Å; Q483-M500 WeakPolarHBondContact O-CA 3.5Å; Q483-M500 WeakPolarHBondContact O-CG 3.46Å; Q483-K501 HydrophobicContact CB-CG 4.24Å; Q483-K501 PolarHBondContact N-O 2.93Å; Q483-K501 PolarHBondContact O-N 2.78Å
484	L	93.7	Very high	85.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.3	-177.3	169.7	149.2	0	0	0	110.3	E473 I474 Y482 I486 L498 V499 M500 F571	E473-L484 CarbonylContact C-O 3.48Å; E473-L484 WeakPolarHBondContact CA-O 2.97Å; I474-L484 HydrophobicContact CB-CB 4.41Å; I474-L484 HydrophobicContact CD1-CD2 4.24Å; I474-L484 HydrophobicContact CG1-CD2 4.26Å; I474-L484 PolarHBondContact N-O 3.04Å; I474-L484 PolarHBondContact O-N 2.97Å; Y482-L484 HydrophobicContact CD2-CB 4.22Å; Y482-L484 HydrophobicContact CE2-CB 4.31Å; L484-I486 HydrophobicContact CD2-CG1 4.27Å; L484-L498 HydrophobicContact CD1-CD1 3.89Å; L484-L498 HydrophobicContact CD1-CD2 3.71Å; L484-L498 HydrophobicContact CD1-CG 3.8Å; L484-L498 HydrophobicContact CG-CD2 4.32Å; L484-L498 HydrophobicContact CG-CG 4.22Å; L484-V499 CarbonylContact C-O 3.34Å; L484-V499 WeakPolarHBondContact CA-O 3.43Å; L484-M500 HydrophobicContact CB-CB 4.37Å; L484-M500 HydrophobicContact CB-CE 4.3Å; L484-M500 HydrophobicContact CB-CG 4.33Å; L484-M500 HydrophobicContact CD1-CB 4.48Å; L484-M500 HydrophobicContact CD1-CE 3.4Å; L484-M500 HydrophobicContact CG-CE 4.44Å; L484-F571 HydrophobicContact CD1-CE2 4Å; L484-F571 HydrophobicContact CD2-CE2 3.65Å; L484-F571 HydrophobicContact CD2-CZ 3.98Å
485	S	94.4	Very high	85.1	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.7	170	54.5	0	0	0	0	111.9	L472 H487 V499	L472-S485 CarbonylContact O-C 3.51Å; L472-S485 VanDerWaalsContact O-CA 3.24Å; L472-S485 WeakPolarHBondContact O-CA 3.44Å; L472-S485 WeakPolarHBondContact O-CB 3.4Å; S485-H487 VanDerWaalsContact CB-NE2 3.35Å; S485-H487 WeakPolarHBondContact CB-NE2 3.35Å; S485-H487 PolarHBondContact OG-NE2 3.29Å; S485-V499 PolarHBondContact N-O 3Å; S485-V499 WeakPolarHBondContact O-CG2 3.32Å; S485-V499 PolarHBondContact O-N 2.77Å; S485-V499 WeakPolarHBondContact OG-CG2 3.48Å
486	I	94.3	Very high	85.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.3	178.8	-57.1	178	0	0	0	108.6	I471 L472 L484 Y496 L497 L498 L553 F564 F571	I471-I486 PolarHBondContact N-O 2.82Å; L472-I486 HydrophobicContact CB-CB 4.23Å; L472-I486 HydrophobicContact CB-CD1 4.4Å; L472-I486 HydrophobicContact CB-CG1 4.42Å; L472-I486 HydrophobicContact CD2-CD1 3.88Å; L472-I486 HydrophobicContact CD2-CG1 4.39Å; L472-I486 PolarHBondContact O-N 2.92Å; L484-I486 HydrophobicContact CD2-CG1 4.27Å; I486-Y496 HydrophobicContact CG2-CG 4.42Å; I486-L497 CarbonylContact C-O 3.57Å; I486-L497 WeakPolarHBondContact CA-O 3.33Å; I486-L498 HydrophobicContact CG1-CB 4.38Å; I486-L498 HydrophobicContact CG1-CG 4.37Å; I486-L553 HydrophobicContact CD1-CD1 4.33Å; I486-L553 HydrophobicContact CG2-CD1 4.24Å; I486-F564 HydrophobicContact CD1-CB 4.46Å; I486-F564 HydrophobicContact CD1-CD1 3.55Å; I486-F564 HydrophobicContact CD1-CD2 4.36Å; I486-F564 HydrophobicContact CD1-CE1 3.77Å; I486-F564 HydrophobicContact CD1-CG 3.87Å; I486-F564 HydrophobicContact CD1-CZ 4.26Å; I486-F564 HydrophobicContact CG2-CD2 4.43Å; I486-F564 HydrophobicContact CG2-CE2 3.96Å; I486-F564 HydrophobicContact CG2-CZ 4.03Å; I486-F571 HydrophobicContact CD1-CD1 3.95Å; I486-F571 HydrophobicContact CD1-CD2 4.08Å; I486-F571 HydrophobicContact CD1-CE1 4.12Å; I486-F571 HydrophobicContact CD1-CE2 4.25Å; I486-F571 HydrophobicContact CD1-CG 3.92Å; I486-F571 HydrophobicContact CD1-CZ 4.26Å
487	H	93.8	Very high	85.8	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.019	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.8	-173.3	-61.9	-102.8	0	0	0	112.2	L421 N468 R469 S485 L497	L421-H487 HydrophobicContact CD1-CB 4.4Å; N468-H487 PolarHBondContact O-ND1 3.29Å; R469-H487 CarbonylContact O-C 3.53Å; R469-H487 VanDerWaalsContact O-CA 3.26Å; R469-H487 WeakPolarHBondContact O-CA 3.32Å; S485-H487 VanDerWaalsContact CB-NE2 3.35Å; S485-H487 WeakPolarHBondContact CB-NE2 3.35Å; S485-H487 PolarHBondContact OG-NE2 3.29Å; H487-L497 PolarHBondContact N-O 2.9Å; H487-L497 PolarHBondContact O-N 2.96Å
488	E	90.7	Very high	86.7	Confident	55 Å²	55	50.5 Å²	50.5	26%	0.257	26%	0.264	S	S	.	.			trans	-79.9	127.1	158.9	-79.2	167.2	-178.8	0	0	108.9	N468 R469 I471 Y496	N468-E488 CarbonylContact C-O 3.56Å; N468-E488 WeakPolarHBondContact CA-O 3.39Å; R469-E488 HydrophobicContact CB-CB 4.5Å; R469-E488 IonicContact CZ-OE2 3.59Å; R469-E488 PolarHBondContact N-O 2.95Å; R469-E488 IonicContact NE-OE2 3.06Å; R469-E488 PolarHBondContact NE-OE2 2.93Å; R469-E488 VanDerWaalsContact NH2-CD 3.26Å; R469-E488 IonicContact NH2-OE1 2.92Å; R469-E488 PolarHBondContact NH2-OE1 3.18Å; R469-E488 IonicContact NH2-OE2 3.8Å; R469-E488 PolarHBondContact NH2-OE2 3.1Å; R469-E488 PolarHBondContact O-N 2.87Å; I471-E488 HydrophobicContact CD1-CG 3.65Å; I471-E488 HydrophobicContact CG1-CG 4.27Å; E488-Y496 HydrophobicContact CG-CD1 3.82Å; E488-Y496 HydrophobicContact CG-CE1 3.4Å; E488-Y496 VanDerWaalsContact CG-CE1 3.4Å
489	T	84.9	Confident	87.8	Confident	23 Å²	23	45.9 Å²	45.9	14%	0.141	23%	0.232	C	C	.	.			trans	-99.3	148.8	-178.8	53.8	0	0	0	0	112.2	D491 L497	T489-D491 VanDerWaalsContact C-N 3.34Å; T489-D491 VanDerWaalsContact CB-OD1 3.23Å; T489-D491 WeakPolarHBondContact CB-OD1 3.2Å; T489-D491 PolarHBondContact OG1-OD1 3.44Å; T489-L497 HydrophobicContact CG2-CB 3.52Å; T489-L497 HydrophobicContact CG2-CD2 3.81Å; T489-L497 HydrophobicContact CG2-CG 4.3Å
490	D	81.2	Confident	88.8	Confident	111 Å²	111	40.5 Å²	40.5	59%	0.594	20%	0.199	S	C	*	.	S	Bend	trans	-96.5	29.7	178.5	-170.5	31	0	0	0	112.1	K467	K467-D490 HydrophobicContact CB-CB 4.33Å
491	D	78.3	Confident	89.4	Confident	62 Å²	62	38.2 Å²	38.2	33%	0.332	19%	0.186	S	C	.	.	S	Bend	trans	-110.4	27	-169	68.4	-15.8	0	0	0	114.4	R417 T489 D493 R552	R417-D491 IonicContact NH1-OD2 2.87Å; T489-D491 VanDerWaalsContact C-N 3.34Å; T489-D491 VanDerWaalsContact CB-OD1 3.23Å; T489-D491 WeakPolarHBondContact CB-OD1 3.2Å; T489-D491 PolarHBondContact OG1-OD1 3.44Å; D491-D493 PolarHBondContact O-N 3.31Å; D491-D493 VanDerWaalsContact O-N 3.09Å; D491-R552 IonicContact OD1-NH1 2.75Å; D491-R552 IonicContact OD2-CZ 2.85Å; D491-R552 VanDerWaalsContact OD2-CZ 3.23Å; D491-R552 IonicContact OD2-NH1 2.73Å; D491-R552 PolarHBondContact OD2-NH1 3.15Å; D491-R552 IonicContact OD2-NH2 3.95Å; D491-R552 PolarHBondContact OD2-NH2 2.86Å
492	N	75.6	Confident	89.7	Confident	170 Å²	170	34.3 Å²	34.3	91%	0.909	17%	0.17	S	C	*	.	S	Bend	trans	59.3	6.9	-174.7	-66.7	-27.4	0	0	0	115.2
493	D	79.5	Confident	89.7	Confident	40 Å²	40	34.7 Å²	34.7	21%	0.214	18%	0.175	C	C	.	.			trans	-94.8	127.7	170.4	-164.6	-25.4	0	0	0	109.3	D491 R495 R552	D491-D493 PolarHBondContact O-N 3.31Å; D491-D493 VanDerWaalsContact O-N 3.09Å; D493-R495 PolarHBondContact O-N 3.11Å; D493-R495 VanDerWaalsContact OD1-CB 3.3Å; D493-R495 WeakPolarHBondContact OD1-CB 3.34Å; D493-R495 VanDerWaalsContact OD1-CG 3.25Å; D493-R495 WeakPolarHBondContact OD1-CG 3.26Å; D493-R495 IonicContact OD1-CZ 3.83Å; D493-R495 PolarHBondContact OD1-N 2.78Å; D493-R495 VanDerWaalsContact OD1-N 3.08Å; D493-R495 IonicContact OD1-NE 2.71Å; D493-R495 PolarHBondContact OD1-NE 2.78Å; D493-R495 IonicContact OD2-CZ 3.56Å; D493-R495 VanDerWaalsContact OD2-CZ 3.23Å; D493-R495 IonicContact OD2-NE 3.89Å; D493-R495 PolarHBondContact OD2-NE 3.42Å; D493-R495 IonicContact OD2-NH2 3.07Å; D493-R495 PolarHBondContact OD2-NH2 2.77Å; D493-R552 WeakPolarHBondContact OD2-CD 3.49Å; D493-R552 IonicContact OD2-CZ 2.94Å; D493-R552 IonicContact OD2-NE 3.66Å; D493-R552 IonicContact OD2-NH1 3.32Å; D493-R552 PolarHBondContact OD2-NH1 3.43Å
494	E	80	Confident	89.7	Confident	125 Å²	125	34.6 Å²	34.6	58%	0.584	18%	0.175	S	C	*	.			trans	-77.7	-6.4	-178.3	-59.3	-155.7	135.5	0	0	113.5	K560	E494-K560 VanDerWaalsContact CD-NZ 3.27Å; E494-K560 WeakPolarHBondContact OE1-CE 3.14Å; E494-K560 IonicContact OE1-NZ 2.7Å; E494-K560 PolarHBondContact OE1-NZ 3.1Å; E494-K560 IonicContact OE2-NZ 3.18Å
495	R	88.6	Confident	89.6	Confident	93 Å²	93	37.7 Å²	37.7	35%	0.351	19%	0.19	S	C	.	.	S	Bend	trans	-77.3	143.2	-178.8	-68.6	-178.2	-67.3	175.8	-2.7	112.4	D493 R552 L553 A555	D493-R495 PolarHBondContact O-N 3.11Å; D493-R495 VanDerWaalsContact OD1-CB 3.3Å; D493-R495 WeakPolarHBondContact OD1-CB 3.34Å; D493-R495 VanDerWaalsContact OD1-CG 3.25Å; D493-R495 WeakPolarHBondContact OD1-CG 3.26Å; D493-R495 IonicContact OD1-CZ 3.83Å; D493-R495 PolarHBondContact OD1-N 2.78Å; D493-R495 VanDerWaalsContact OD1-N 3.08Å; D493-R495 IonicContact OD1-NE 2.71Å; D493-R495 PolarHBondContact OD1-NE 2.78Å; D493-R495 IonicContact OD2-CZ 3.56Å; D493-R495 VanDerWaalsContact OD2-CZ 3.23Å; D493-R495 IonicContact OD2-NE 3.89Å; D493-R495 PolarHBondContact OD2-NE 3.42Å; D493-R495 IonicContact OD2-NH2 3.07Å; D493-R495 PolarHBondContact OD2-NH2 2.77Å; R495-R552 HydrophobicContact CB-CB 4.46Å; R495-L553 VanDerWaalsContact CB-O 3.24Å; R495-L553 WeakPolarHBondContact CB-O 3.38Å; R495-L553 WeakPolarHBondContact CD-O 3.38Å; R495-L553 WeakPolarHBondContact CG-O 3.4Å; R495-A555 HydrophobicContact CG-CB 3.95Å
496	Y	92.2	Very high	89.5	Confident	6 Å²	6	43.2 Å²	43.2	2%	0.024	21%	0.211	C	C	.	.			trans	-69.2	139.5	168.2	-66.3	-62	0	0	0	111.5	I471 I486 E488 L553 P559 N561 F562 F564	I471-Y496 HydrophobicContact CD1-CD1 3.33Å; I471-Y496 HydrophobicContact CD1-CE1 3.1Å; I471-Y496 HydrophobicContact CD1-CG 4.37Å; I486-Y496 HydrophobicContact CG2-CG 4.42Å; E488-Y496 HydrophobicContact CG-CD1 3.82Å; E488-Y496 HydrophobicContact CG-CE1 3.4Å; E488-Y496 VanDerWaalsContact CG-CE1 3.4Å; Y496-L553 PolarHBondContact O-N 3.06Å; Y496-P559 WeakPolarHBondContact CE2-O 3.17Å; Y496-N561 PolarHBondContact OH-N 3.21Å; Y496-F562 HydrophobicContact CE2-CB 4.25Å; Y496-F564 AromaticContact CD2-CE2 3.87Å; Y496-F564 HydrophobicContact CD2-CE2 3.87Å; Y496-F564 AromaticContact CD2-CZ 3.63Å; Y496-F564 HydrophobicContact CD2-CZ 3.63Å; Y496-F564 AromaticContact CE2-CE2 3.98Å; Y496-F564 HydrophobicContact CE2-CE2 3.98Å; Y496-F564 HydrophobicContact CE2-CZ 4.09Å; Y496-F564 HydrophobicContact CG-CE2 4.13Å; Y496-F564 HydrophobicContact CG-CZ 4.03Å
497	L	94.1	Very high	89.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.1	175.3	-178.8	68.9	0	0	0	110.1	R417 L421 I486 H487 T489 V499 D550 R552	R417-L497 HydrophobicContact CG-CD2 4.25Å; L421-L497 HydrophobicContact CD1-CD2 4.01Å; I486-L497 CarbonylContact C-O 3.57Å; I486-L497 WeakPolarHBondContact CA-O 3.33Å; H487-L497 PolarHBondContact N-O 2.9Å; H487-L497 PolarHBondContact O-N 2.96Å; T489-L497 HydrophobicContact CG2-CB 3.52Å; T489-L497 HydrophobicContact CG2-CD2 3.81Å; T489-L497 HydrophobicContact CG2-CG 4.3Å; L497-V499 HydrophobicContact CD2-CG1 3.93Å; L497-V499 HydrophobicContact CG-CG1 3.93Å; L497-D550 HydrophobicContact CD1-CB 4.18Å; L497-R552 HydrophobicContact CD1-CG 4.02Å
498	L	94.9	Very high	89.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.5	168.2	-178.8	162	0	0	0	108.4	L484 I486 M500 D550 Y551 L553 F571 P572 L576	L484-L498 HydrophobicContact CD1-CD1 3.89Å; L484-L498 HydrophobicContact CD1-CD2 3.71Å; L484-L498 HydrophobicContact CD1-CG 3.8Å; L484-L498 HydrophobicContact CG-CD2 4.32Å; L484-L498 HydrophobicContact CG-CG 4.22Å; I486-L498 HydrophobicContact CG1-CB 4.38Å; I486-L498 HydrophobicContact CG1-CG 4.37Å; L498-M500 HydrophobicContact CD2-CB 4.47Å; L498-D550 CarbonylContact O-C 3.56Å; L498-D550 VanDerWaalsContact O-CA 3.22Å; L498-D550 WeakPolarHBondContact O-CA 3.45Å; L498-D550 WeakPolarHBondContact O-CB 3.34Å; L498-Y551 PolarHBondContact N-O 3.43Å; L498-Y551 PolarHBondContact O-N 3.18Å; L498-L553 HydrophobicContact CB-CG 4.48Å; L498-F571 HydrophobicContact CD1-CD2 3.83Å; L498-F571 HydrophobicContact CD1-CE2 4.44Å; L498-P572 WeakPolarHBondContact CD1-O 3.45Å; L498-L576 HydrophobicContact CD2-CD1 4.25Å; L498-L576 HydrophobicContact CD2-CD2 3.98Å
499	V	96.7	Very high	89.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.2	174.9	-67.6	0	0	0	0	109.4	I418 L421 C422 L484 S485 L497 D550	I418-V499 HydrophobicContact CB-CG1 4.46Å; I418-V499 HydrophobicContact CG1-CG1 4.06Å; I418-V499 HydrophobicContact CG2-CB 4.07Å; I418-V499 HydrophobicContact CG2-CG1 4.41Å; L421-V499 HydrophobicContact CB-CG2 4.15Å; C422-V499 HydrophobicContact CB-CB 4.19Å; C422-V499 HydrophobicContact CB-CG2 3.71Å; L484-V499 CarbonylContact C-O 3.34Å; L484-V499 WeakPolarHBondContact CA-O 3.43Å; S485-V499 PolarHBondContact N-O 3Å; S485-V499 WeakPolarHBondContact O-CG2 3.32Å; S485-V499 PolarHBondContact O-N 2.77Å; S485-V499 WeakPolarHBondContact OG-CG2 3.48Å; L497-V499 HydrophobicContact CD2-CG1 3.93Å; L497-V499 HydrophobicContact CG-CG1 3.93Å; V499-D550 HydrophobicContact CG1-CB 4.28Å
500	M	96.2	Very high	89.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.6	179.8	-178.8	-169	-67.8	0	0	110.5	Y482 Q483 L484 L498 I507 C549 L576	Y482-M500 HydrophobicContact CD1-SD 4.5Å; Y482-M500 HydrophobicContact CD2-CE 3.9Å; Y482-M500 HydrophobicContact CD2-CG 4.12Å; Y482-M500 HydrophobicContact CD2-SD 4.01Å; Y482-M500 HydrophobicContact CE2-CE 4.03Å; Y482-M500 HydrophobicContact CG-CE 4.33Å; Y482-M500 HydrophobicContact CG-CG 4.29Å; Y482-M500 HydrophobicContact CG-SD 3.93Å; Q483-M500 VanDerWaalsContact O-CA 3.3Å; Q483-M500 WeakPolarHBondContact O-CA 3.5Å; Q483-M500 WeakPolarHBondContact O-CG 3.46Å; L484-M500 HydrophobicContact CB-CB 4.37Å; L484-M500 HydrophobicContact CB-CE 4.3Å; L484-M500 HydrophobicContact CB-CG 4.33Å; L484-M500 HydrophobicContact CD1-CB 4.48Å; L484-M500 HydrophobicContact CD1-CE 3.4Å; L484-M500 HydrophobicContact CG-CE 4.44Å; L498-M500 HydrophobicContact CD2-CB 4.47Å; M500-I507 HydrophobicContact CG-CD1 3.72Å; M500-I507 HydrophobicContact SD-CD1 3.65Å; M500-C549 PolarHBondContact N-O 3.21Å; M500-C549 PolarHBondContact O-N 3.22Å; M500-L576 HydrophobicContact CB-CD1 4.49Å; M500-L576 HydrophobicContact CE-CD1 3.72Å; M500-L576 HydrophobicContact SD-CD1 3.96Å
501	K	96	Very high	90.5	Very high	11 Å²	11	43.6 Å²	43.6	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.5	169.9	74.2	178.6	-179.3	-164	0	110.9	C422 E447 Y482 Q483 G547 F548	C422-K501 VanDerWaalsContact O-CD 3.23Å; C422-K501 WeakPolarHBondContact O-CD 3.26Å; C422-K501 WeakPolarHBondContact O-CE 3.14Å; C422-K501 PolarHBondContact O-NZ 2.77Å; E447-K501 IonicContact OE1-NZ 2.79Å; E447-K501 PolarHBondContact OE1-NZ 2.93Å; Y482-K501 CarbonylContact C-O 3.57Å; Y482-K501 VanDerWaalsContact CA-O 3.3Å; Y482-K501 WeakPolarHBondContact CA-O 3.34Å; Q483-K501 HydrophobicContact CB-CG 4.24Å; Q483-K501 PolarHBondContact N-O 2.93Å; Q483-K501 PolarHBondContact O-N 2.78Å; K501-G547 WeakPolarHBondContact CA-O 3.42Å; K501-F548 HydrophobicContact CB-CD1 3.79Å; K501-F548 HydrophobicContact CB-CE1 3.81Å; K501-F548 HydrophobicContact CD-CE1 4.12Å
502	G	93.9	Very high	91.2	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	-162.8	179.6	0	0	0	0	0	113.8	K481 G547	K481-G502 WeakPolarHBondContact O-CA 3.24Å; G502-G547 PolarHBondContact N-O 2.78Å; G502-G547 VanDerWaalsContact N-O 3.1Å; G502-G547 PolarHBondContact O-N 2.81Å
503	A	92.4	Very high	92.2	Very high	20 Å²	20	36.8 Å²	36.8	17%	0.165	18%	0.178	C	C	.	.			trans	-59.8	129.6	175	0	0	0	0	0	110.2	K481 E505 R506 I507	K481-A503 HydrophobicContact CB-CB 4.25Å; K481-A503 HydrophobicContact CD-CB 4.48Å; K481-A503 PolarHBondContact O-N 2.89Å; K481-A503 VanDerWaalsContact O-N 3.1Å; A503-E505 VanDerWaalsContact C-N 3.29Å; A503-E505 WeakPolarHBondContact CB-OE1 3.23Å; A503-E505 PolarHBondContact O-N 2.86Å; A503-R506 HydrophobicContact CB-CB 4.25Å; A503-R506 HydrophobicContact CB-CG 4.08Å; A503-R506 PolarHBondContact O-N 3.2Å; A503-I507 WeakPolarHBondContact O-CG1 3.44Å; A503-I507 PolarHBondContact O-N 2.95Å
504	P	92.7	Very high	92.9	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-50.5	-45.4	-172.2	-30.8	37.4	0	0	0	114.2	R506 I507 I508 F531 Y535 V545 L581	P504-R506 VanDerWaalsContact C-N 3.31Å; P504-R506 PolarHBondContact O-N 2.83Å; P504-I507 PolarHBondContact O-N 2.84Å; P504-I508 PolarHBondContact O-N 2.79Å; P504-F531 HydrophobicContact CB-CZ 3.89Å; P504-Y535 HydrophobicContact CB-CD2 3.93Å; P504-Y535 HydrophobicContact CB-CE2 3.98Å; P504-Y535 HydrophobicContact CB-CG 4.45Å; P504-Y535 HydrophobicContact CG-CD2 3.95Å; P504-Y535 HydrophobicContact CG-CE2 3.75Å; P504-V545 VanDerWaalsContact CD-O 3.27Å; P504-V545 WeakPolarHBondContact CD-O 3.28Å; P504-V545 HydrophobicContact CG-CB 3.91Å; P504-V545 HydrophobicContact CG-CG1 3.82Å; P504-V545 VanDerWaalsContact CG-O 3.31Å; P504-V545 WeakPolarHBondContact CG-O 3.46Å; P504-L581 HydrophobicContact CB-CD2 3.97Å; P504-L581 HydrophobicContact CG-CD2 4.25Å
505	E	91.3	Very high	93.5	Very high	66 Å²	66	29.5 Å²	29.5	31%	0.308	14%	0.143	S	C	.	.	H	α-helix	trans	-64.1	-35.2	179	72.8	-73.8	179.3	0	0	112.2	A503 I508 D509	A503-E505 VanDerWaalsContact C-N 3.29Å; A503-E505 WeakPolarHBondContact CB-OE1 3.23Å; A503-E505 PolarHBondContact O-N 2.86Å; E505-I508 WeakPolarHBondContact O-CG2 3.45Å; E505-D509 PolarHBondContact O-N 3.07Å
506	R	92.7	Very high	93.6	Very high	115 Å²	115	26.5 Å²	26.5	43%	0.434	13%	0.134	S	C	.	.	H	α-helix	trans	-77.2	-29.6	178.5	-64.3	-60.6	-167.5	171.1	3.7	112.8	K481 A503 P504 R510	K481-R506 HydrophobicContact CB-CG 4.1Å; K481-R506 HydrophobicContact CD-CG 4.24Å; A503-R506 HydrophobicContact CB-CB 4.25Å; A503-R506 HydrophobicContact CB-CG 4.08Å; A503-R506 PolarHBondContact O-N 3.2Å; P504-R506 VanDerWaalsContact C-N 3.31Å; P504-R506 PolarHBondContact O-N 2.83Å; R506-R510 WeakPolarHBondContact O-CG 3.19Å
507	I	94.2	Very high	93.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-76.6	-45.1	178.9	-64.9	-60.2	0	0	0	110.4	M500 A503 P504 D509 R510 C511 C549 F578	M500-I507 HydrophobicContact CG-CD1 3.72Å; M500-I507 HydrophobicContact SD-CD1 3.65Å; A503-I507 WeakPolarHBondContact O-CG1 3.44Å; A503-I507 PolarHBondContact O-N 2.95Å; P504-I507 PolarHBondContact O-N 2.84Å; I507-D509 VanDerWaalsContact C-N 3.31Å; I507-D509 PolarHBondContact O-N 2.97Å; I507-R510 PolarHBondContact O-N 2.99Å; I507-R510 VanDerWaalsContact O-N 3.11Å; I507-C511 PolarHBondContact O-N 3Å; I507-C511 PolarHBondContact O-SG 2.92Å; I507-C549 HydrophobicContact CG2-CB 3.98Å; I507-F578 HydrophobicContact CG2-CD2 3.97Å; I507-F578 HydrophobicContact CG2-CE2 3.95Å
508	I	92.4	Very high	93	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.051	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-36.9	-179.3	-160.5	67	0	0	0	112	P504 E505 R510 C511 L523 F531 F578	P504-I508 PolarHBondContact O-N 2.79Å; E505-I508 WeakPolarHBondContact O-CG2 3.45Å; I508-R510 PolarHBondContact O-N 2.88Å; I508-C511 PolarHBondContact O-N 3.45Å; I508-C511 VanDerWaalsContact O-N 3.09Å; I508-L523 HydrophobicContact CD1-CD1 4.03Å; I508-L523 HydrophobicContact CD1-CD2 3.76Å; I508-L523 HydrophobicContact CG1-CD2 4.04Å; I508-F531 HydrophobicContact CB-CD1 4.44Å; I508-F531 HydrophobicContact CB-CE1 3.91Å; I508-F531 HydrophobicContact CB-CE2 4.36Å; I508-F531 HydrophobicContact CB-CZ 3.86Å; I508-F531 HydrophobicContact CD1-CD2 4.1Å; I508-F531 HydrophobicContact CD1-CE2 4.19Å; I508-F531 HydrophobicContact CD1-CG 4.26Å; I508-F531 HydrophobicContact CD1-CZ 4.49Å; I508-F531 HydrophobicContact CG1-CD1 4.1Å; I508-F531 HydrophobicContact CG1-CD2 4.5Å; I508-F531 HydrophobicContact CG1-CE1 4.09Å; I508-F531 HydrophobicContact CG1-CE2 4.44Å; I508-F531 HydrophobicContact CG1-CG 4.33Å; I508-F531 HydrophobicContact CG1-CZ 4.25Å; I508-F531 HydrophobicContact CG2-CD1 4.42Å; I508-F531 HydrophobicContact CG2-CE1 3.77Å; I508-F531 HydrophobicContact CG2-CZ 4.11Å; I508-F578 HydrophobicContact CD1-CB 4.38Å; I508-F578 HydrophobicContact CD1-CD2 3.61Å; I508-F578 HydrophobicContact CD1-CE2 4.04Å; I508-F578 HydrophobicContact CD1-CG 3.89Å
509	D	91.7	Very high	92.8	Very high	118 Å²	118	41 Å²	41	63%	0.631	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.5	176	-75.2	-11.2	0	0	0	113.3	E505 I507	E505-D509 PolarHBondContact O-N 3.07Å; I507-D509 VanDerWaalsContact C-N 3.31Å; I507-D509 PolarHBondContact O-N 2.97Å
510	R	93.3	Very high	92.5	Very high	66 Å²	66	46.6 Å²	46.6	25%	0.249	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.4	179	-68	176.9	-179.6	-77.2	-3.4	112.9	R506 I507 I508 V573 S574 G575 L576	R506-R510 WeakPolarHBondContact O-CG 3.19Å; I507-R510 PolarHBondContact O-N 2.99Å; I507-R510 VanDerWaalsContact O-N 3.11Å; I508-R510 PolarHBondContact O-N 2.88Å; R510-V573 WeakPolarHBondContact CD-O 3.38Å; R510-V573 PolarHBondContact NH1-O 2.79Å; R510-S574 CarbonylContact O-C 3.57Å; R510-S574 WeakPolarHBondContact O-CA 3.39Å; R510-G575 PolarHBondContact O-N 3.28Å; R510-L576 PolarHBondContact O-N 3.15Å
511	C	94.4	Very high	92.3	Very high	7 Å²	7	49.6 Å²	49.6	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141	-176.4	-68	0	0	0	0	112.1	I507 I508 L523 C549 L576 F578	I507-C511 PolarHBondContact O-N 3Å; I507-C511 PolarHBondContact O-SG 2.92Å; I508-C511 PolarHBondContact O-N 3.45Å; I508-C511 VanDerWaalsContact O-N 3.09Å; C511-L523 HydrophobicContact CB-CD2 4.4Å; C511-L523 WeakPolarHBondContact O-CD2 3.29Å; C511-C549 WeakPolarHBondContact SG-CB 3.04Å; C511-L576 CarbonylContact C-O 3.57Å; C511-L576 VanDerWaalsContact CA-O 3.22Å; C511-L576 WeakPolarHBondContact CA-O 3.34Å; C511-F578 HydrophobicContact CB-CB 3.85Å
512	S	93.4	Very high	92	Very high	54 Å²	54	52.7 Å²	52.7	38%	0.378	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-24.7	174.2	52.1	0	0	0	0	113.1	L523 G575 L576	S512-L523 WeakPolarHBondContact O-CB 3.42Å; S512-L523 PolarHBondContact O-N 3.12Å; S512-G575 VanDerWaalsContact OG-C 3.28Å; S512-G575 VanDerWaalsContact OG-CA 3.3Å; S512-G575 WeakPolarHBondContact OG-CA 2.98Å; S512-G575 PolarHBondContact OG-O 2.96Å; S512-L576 PolarHBondContact N-O 2.9Å
513	T	94.9	Very high	91.8	Very high	35 Å²	35	53 Å²	53	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.9	177.4	56.3	0	0	0	0	110.6	N521 L576 R577 F578	T513-N521 CarbonylContact C-O 3.3Å; T513-N521 WeakPolarHBondContact CA-O 3.41Å; T513-N521 VanDerWaalsContact CB-O 3.28Å; T513-N521 WeakPolarHBondContact CB-O 3.34Å; T513-L576 PolarHBondContact N-O 3.08Å; T513-R577 CarbonylContact O-C 3.53Å; T513-R577 WeakPolarHBondContact O-CA 3.43Å; T513-R577 WeakPolarHBondContact OG1-CA 3.39Å; T513-R577 WeakPolarHBondContact OG1-CB 3.49Å; T513-F578 PolarHBondContact O-N 3.44Å
514	I	94.2	Very high	91.6	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.6	175.3	-176.4	165	0	0	0	110.2	W386 L516 N521 L523 M527 F578	W386-I514 HydrophobicContact CH2-CD1 3.93Å; W386-I514 HydrophobicContact CZ3-CD1 4.08Å; I514-L516 HydrophobicContact CD1-CD2 4.45Å; I514-L516 HydrophobicContact CG1-CD2 4.44Å; I514-L516 HydrophobicContact CG1-CG 4.44Å; I514-L516 HydrophobicContact CG2-CD1 4.33Å; I514-L516 HydrophobicContact CG2-CG 4.32Å; I514-N521 HydrophobicContact CG2-CB 4.18Å; I514-N521 PolarHBondContact N-O 2.89Å; I514-N521 PolarHBondContact O-N 3.34Å; I514-L523 HydrophobicContact CB-CD1 4.25Å; I514-L523 HydrophobicContact CG2-CD1 4.33Å; I514-M527 HydrophobicContact CG2-CE 4.49Å; I514-M527 HydrophobicContact CG2-SD 3.39Å; I514-M527 WeakPolarHBondContact CG2-SD 3.46Å; I514-F578 CarbonylContact C-O 3.58Å; I514-F578 WeakPolarHBondContact CA-O 3.48Å; I514-F578 HydrophobicContact CB-CB 4.38Å; I514-F578 HydrophobicContact CD1-CD1 3.96Å; I514-F578 HydrophobicContact CG1-CB 4.37Å; I514-F578 HydrophobicContact CG1-CD1 4.09Å
515	L	93.8	Very high	91.4	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.037	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.2	176.7	-169.7	67	0	0	0	110.5	T411 A414 E520 R577 F578 V579	T411-L515 HydrophobicContact CG2-CB 4.29Å; T411-L515 HydrophobicContact CG2-CD2 4.07Å; T411-L515 HydrophobicContact CG2-CG 4.11Å; T411-L515 WeakPolarHBondContact CG2-O 3.34Å; A414-L515 HydrophobicContact CB-CD2 3.6Å; L515-E520 HydrophobicContact CD1-CG 4.27Å; L515-R577 HydrophobicContact CB-CG 4.46Å; L515-F578 PolarHBondContact N-O 2.81Å; L515-V579 HydrophobicContact CD2-CG1 4.34Å
516	L	91	Very high	91.3	Very high	31 Å²	31	66.2 Å²	66.2	16%	0.162	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.5	177.9	-66.4	175.8	0	0	0	110.6	I514 G518 K519 N521 M527	I514-L516 HydrophobicContact CD1-CD2 4.45Å; I514-L516 HydrophobicContact CG1-CD2 4.44Å; I514-L516 HydrophobicContact CG1-CG 4.44Å; I514-L516 HydrophobicContact CG2-CD1 4.33Å; I514-L516 HydrophobicContact CG2-CG 4.32Å; L516-G518 PolarHBondContact O-N 3Å; L516-G518 VanDerWaalsContact O-N 3.14Å; L516-K519 PolarHBondContact N-O 3.18Å; L516-K519 PolarHBondContact O-N 3.11Å; L516-N521 HydrophobicContact CD1-CB 4.27Å; L516-M527 HydrophobicContact CD1-CE 3.45Å; L516-M527 VanDerWaalsContact CD1-CE 3.45Å; L516-M527 HydrophobicContact CD1-SD 4.11Å
517	N	87.6	Confident	91.1	Very high	116 Å²	116	63 Å²	63	62%	0.62	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	38	-176.5	-60	-61.9	0	0	0	112.8	D388 T411	D388-N517 WeakPolarHBondContact OD1-CA 3.36Å; D388-N517 PolarHBondContact OD1-N 2.85Å; T411-N517 PolarHBondContact OG1-N 3.1Å
518	G	85.7	Confident	90.9	Very high	37 Å²	37	67.4 Å²	67.4	38%	0.381	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	0.3	-176.4	0	0	0	0	0	116.6	T411 L516	T411-G518 PolarHBondContact OG1-N 3.46Å; L516-G518 PolarHBondContact O-N 3Å; L516-G518 VanDerWaalsContact O-N 3.14Å
519	K	90.6	Very high	90.8	Very high	156 Å²	156	73.7 Å²	73.7	68%	0.678	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.5	173.9	-64.8	-175.7	-179.9	-179.2	0	111	L516	L516-K519 PolarHBondContact N-O 3.18Å; L516-K519 PolarHBondContact O-N 3.11Å
520	E	90.8	Very high	90.7	Very high	118 Å²	118	71 Å²	71	55%	0.551	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.9	174.5	-59.1	-169	-175.1	0	0	110.1	L515 R577	L515-E520 HydrophobicContact CD1-CG 4.27Å; E520-R577 VanDerWaalsContact CD-CD 3.45Å; E520-R577 WeakPolarHBondContact OE1-CD 3.32Å; E520-R577 IonicContact OE1-CZ 3.33Å; E520-R577 IonicContact OE1-NE 4Å; E520-R577 IonicContact OE1-NH1 3.46Å; E520-R577 PolarHBondContact OE1-NH1 2.84Å
521	N	90.3	Very high	90.6	Very high	63 Å²	63	68 Å²	68	34%	0.337	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	152.3	177.9	-73.2	50.5	0	0	0	109.8	T513 I514 L516 M527	T513-N521 CarbonylContact C-O 3.3Å; T513-N521 WeakPolarHBondContact CA-O 3.41Å; T513-N521 VanDerWaalsContact CB-O 3.28Å; T513-N521 WeakPolarHBondContact CB-O 3.34Å; I514-N521 HydrophobicContact CG2-CB 4.18Å; I514-N521 PolarHBondContact N-O 2.89Å; I514-N521 PolarHBondContact O-N 3.34Å; L516-N521 HydrophobicContact CD1-CB 4.27Å; N521-M527 HydrophobicContact CB-CE 4.21Å
522	S	91.3	Very high	90.5	Very high	77 Å²	77	71.7 Å²	71.7	54%	0.538	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	140	171.7	-177.4	0	0	0	0	110.5	N524	S522-N524 PolarHBondContact O-N 2.94Å; S522-N524 PolarHBondContact O-OD1 3.03Å; S522-N524 PolarHBondContact OG-OD1 3.36Å
523	L	89.3	Confident	90.4	Very high	8 Å²	8	75.5 Å²	75.5	4%	0.042	38%	0.382	C	S	.	.			trans	-78.2	89.6	178.4	-171.5	69.1	0	0	0	110.3	I508 C511 S512 I514 M527 R528	I508-L523 HydrophobicContact CD1-CD1 4.03Å; I508-L523 HydrophobicContact CD1-CD2 3.76Å; I508-L523 HydrophobicContact CG1-CD2 4.04Å; C511-L523 HydrophobicContact CB-CD2 4.4Å; C511-L523 WeakPolarHBondContact O-CD2 3.29Å; S512-L523 WeakPolarHBondContact O-CB 3.42Å; S512-L523 PolarHBondContact O-N 3.12Å; I514-L523 HydrophobicContact CB-CD1 4.25Å; I514-L523 HydrophobicContact CG2-CD1 4.33Å; L523-M527 HydrophobicContact CD1-CB 4.2Å; L523-R528 HydrophobicContact CD1-CG 4.44Å; L523-R528 HydrophobicContact CD2-CG 4.33Å; L523-R528 HydrophobicContact CG-CG 4.11Å
524	N	89.1	Confident	90.3	Very high	89 Å²	89	74 Å²	74	48%	0.476	37%	0.374	S	S	.	.			trans	-85.3	163.9	178.7	-63.2	2.8	0	0	0	111.6	S522 E526 M527 R528	S522-N524 PolarHBondContact O-N 2.94Å; S522-N524 PolarHBondContact O-OD1 3.03Å; S522-N524 PolarHBondContact OG-OD1 3.36Å; N524-E526 VanDerWaalsContact C-N 3.29Å; N524-E526 PolarHBondContact O-N 3.16Å; N524-M527 WeakPolarHBondContact O-CB 3.24Å; N524-M527 PolarHBondContact O-N 2.89Å; N524-R528 PolarHBondContact O-N 3.05Å; N524-R528 VanDerWaalsContact O-N 3.11Å
525	D	88.3	Confident	90.2	Very high	119 Å²	119	77.2 Å²	77.2	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-62.1	-33.6	-176.3	-63	-30.5	0	0	0	113.5	M527 R528 E529	D525-M527 VanDerWaalsContact C-N 3.31Å; D525-M527 PolarHBondContact O-N 3.19Å; D525-R528 WeakPolarHBondContact O-CB 3.46Å; D525-R528 PolarHBondContact O-N 3.43Å; D525-R528 IonicContact OD1-NH1 3.29Å; D525-R528 PolarHBondContact OD1-NH1 2.9Å; D525-R528 VanDerWaalsContact OD1-NH1 3.07Å; D525-E529 PolarHBondContact O-N 3.34Å
526	E	89.4	Confident	89.9	Confident	159 Å²	159	83.3 Å²	83.3	74%	0.743	42%	0.416	S	S	*	.	H	α-helix	trans	-59.3	-40.2	172.6	-173.2	-177.7	-175.8	0	0	112.1	N524 E529 E530	N524-E526 VanDerWaalsContact C-N 3.29Å; N524-E526 PolarHBondContact O-N 3.16Å; E526-E529 PolarHBondContact O-N 3.04Å; E526-E530 PolarHBondContact O-N 3.02Å; E526-E530 VanDerWaalsContact O-N 3.11Å
527	M	87.4	Confident	89.9	Confident	47 Å²	47	87.7 Å²	87.7	23%	0.232	43%	0.433	C	S	.	.	H	α-helix	trans	-72.6	-33.3	177.4	-65.2	-177	178	0	0	111.9	I514 L516 N521 L523 N524 D525 E529 F531	I514-M527 HydrophobicContact CG2-CE 4.49Å; I514-M527 HydrophobicContact CG2-SD 3.39Å; I514-M527 WeakPolarHBondContact CG2-SD 3.46Å; L516-M527 HydrophobicContact CD1-CE 3.45Å; L516-M527 VanDerWaalsContact CD1-CE 3.45Å; L516-M527 HydrophobicContact CD1-SD 4.11Å; N521-M527 HydrophobicContact CB-CE 4.21Å; L523-M527 HydrophobicContact CD1-CB 4.2Å; N524-M527 WeakPolarHBondContact O-CB 3.24Å; N524-M527 PolarHBondContact O-N 2.89Å; D525-M527 VanDerWaalsContact C-N 3.31Å; D525-M527 PolarHBondContact O-N 3.19Å; M527-E529 VanDerWaalsContact C-N 3.35Å; M527-F531 VanDerWaalsContact O-CB 3.27Å; M527-F531 WeakPolarHBondContact O-CB 3.38Å; M527-F531 PolarHBondContact O-N 3.1Å
528	R	89.3	Confident	90.1	Very high	93 Å²	93	82.2 Å²	82.2	35%	0.351	40%	0.404	S	S	.	.	H	α-helix	trans	-66	-38.8	172.7	-70.8	-170.6	175.8	107.7	3.7	111.6	L523 N524 D525 F531 N532	L523-R528 HydrophobicContact CD1-CG 4.44Å; L523-R528 HydrophobicContact CD2-CG 4.33Å; L523-R528 HydrophobicContact CG-CG 4.11Å; N524-R528 PolarHBondContact O-N 3.05Å; N524-R528 VanDerWaalsContact O-N 3.11Å; D525-R528 WeakPolarHBondContact O-CB 3.46Å; D525-R528 PolarHBondContact O-N 3.43Å; D525-R528 IonicContact OD1-NH1 3.29Å; D525-R528 PolarHBondContact OD1-NH1 2.9Å; D525-R528 VanDerWaalsContact OD1-NH1 3.07Å; R528-F531 WeakPolarHBondContact O-CB 3.41Å; R528-F531 PolarHBondContact O-N 3Å; R528-N532 WeakPolarHBondContact O-CB 3.35Å; R528-N532 VanDerWaalsContact O-CG 3.27Å; R528-N532 PolarHBondContact O-N 3.35Å; R528-N532 PolarHBondContact O-ND2 2.94Å
529	E	90.3	Very high	90.1	Very high	143 Å²	143	81.9 Å²	81.9	67%	0.668	40%	0.401	S	S	*	.	H	α-helix	trans	-64.8	-46	177	-170	174.6	-179	0	0	111.5	D525 E526 M527 F531 N532 K533	D525-E529 PolarHBondContact O-N 3.34Å; E526-E529 PolarHBondContact O-N 3.04Å; M527-E529 VanDerWaalsContact C-N 3.35Å; E529-F531 VanDerWaalsContact C-N 3.35Å; E529-F531 PolarHBondContact O-N 3.11Å; E529-N532 PolarHBondContact O-N 3.06Å; E529-K533 WeakPolarHBondContact O-CB 3.34Å; E529-K533 PolarHBondContact O-N 3.08Å
530	E	89.9	Confident	89.8	Confident	62 Å²	62	77.2 Å²	77.2	29%	0.29	40%	0.397	S	S	.	.	H	α-helix	trans	-68.9	-33.8	178.1	-167.6	58.4	-142.3	0	0	112.5	N389 E526 K533 S534	N389-E530 WeakPolarHBondContact OD1-CG 3.2Å; E526-E530 PolarHBondContact O-N 3.02Å; E526-E530 VanDerWaalsContact O-N 3.11Å; E530-K533 IonicContact OE2-NZ 2.86Å; E530-S534 WeakPolarHBondContact O-CB 3.48Å; E530-S534 PolarHBondContact O-N 2.89Å; E530-S534 PolarHBondContact O-OG 3.37Å
531	F	92.2	Very high	89.5	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.009	39%	0.385	C	S	.	.	H	α-helix	trans	-58.7	-51.1	167.8	168.6	-89.3	0	0	0	111.2	W386 P504 I508 M527 R528 E529 K533 S534 Y535 F578 L581	W386-F531 HydrophobicContact CH2-CB 4.15Å; W386-F531 HydrophobicContact CH2-CD2 4.29Å; W386-F531 HydrophobicContact CZ3-CD2 4.02Å; P504-F531 HydrophobicContact CB-CZ 3.89Å; I508-F531 HydrophobicContact CB-CD1 4.44Å; I508-F531 HydrophobicContact CB-CE1 3.91Å; I508-F531 HydrophobicContact CB-CE2 4.36Å; I508-F531 HydrophobicContact CB-CZ 3.86Å; I508-F531 HydrophobicContact CD1-CD2 4.1Å; I508-F531 HydrophobicContact CD1-CE2 4.19Å; I508-F531 HydrophobicContact CD1-CG 4.26Å; I508-F531 HydrophobicContact CD1-CZ 4.49Å; I508-F531 HydrophobicContact CG1-CD1 4.1Å; I508-F531 HydrophobicContact CG1-CD2 4.5Å; I508-F531 HydrophobicContact CG1-CE1 4.09Å; I508-F531 HydrophobicContact CG1-CE2 4.44Å; I508-F531 HydrophobicContact CG1-CG 4.33Å; I508-F531 HydrophobicContact CG1-CZ 4.25Å; I508-F531 HydrophobicContact CG2-CD1 4.42Å; I508-F531 HydrophobicContact CG2-CE1 3.77Å; I508-F531 HydrophobicContact CG2-CZ 4.11Å; M527-F531 VanDerWaalsContact O-CB 3.27Å; M527-F531 WeakPolarHBondContact O-CB 3.38Å; M527-F531 PolarHBondContact O-N 3.1Å; R528-F531 WeakPolarHBondContact O-CB 3.41Å; R528-F531 PolarHBondContact O-N 3Å; E529-F531 VanDerWaalsContact C-N 3.35Å; E529-F531 PolarHBondContact O-N 3.11Å; F531-K533 VanDerWaalsContact C-N 3.34Å; F531-K533 PolarHBondContact O-N 3.46Å; F531-S534 PolarHBondContact O-N 3.01Å; F531-Y535 VanDerWaalsContact O-CB 3.32Å; F531-Y535 WeakPolarHBondContact O-CB 3.33Å; F531-Y535 PolarHBondContact O-N 2.77Å; F531-F578 HydrophobicContact CD2-CE1 4.37Å; F531-F578 HydrophobicContact CD2-CE2 4.43Å; F531-F578 AromaticContact CD2-CZ 3.99Å; F531-F578 HydrophobicContact CD2-CZ 3.99Å; F531-F578 HydrophobicContact CE2-CE1 4.35Å; F531-F578 AromaticContact CE2-CE2 3.76Å; F531-F578 HydrophobicContact CE2-CE2 3.76Å; F531-F578 AromaticContact CE2-CZ 3.53Å; F531-F578 HydrophobicContact CE2-CZ 3.53Å; F531-L581 HydrophobicContact CD2-CD1 4.21Å; F531-L581 HydrophobicContact CE2-CD1 3.9Å; F531-L581 HydrophobicContact CE2-CD2 3.6Å; F531-L581 HydrophobicContact CE2-CG 3.97Å; F531-L581 HydrophobicContact CZ-CD2 4.13Å
532	N	91.5	Very high	89.2	Confident	85 Å²	85	72.1 Å²	72.1	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-41.5	-178.9	-77.8	-27.7	0	0	0	111.5	R528 E529 Y535 M536	R528-N532 WeakPolarHBondContact O-CB 3.35Å; R528-N532 VanDerWaalsContact O-CG 3.27Å; R528-N532 PolarHBondContact O-N 3.35Å; R528-N532 PolarHBondContact O-ND2 2.94Å; E529-N532 PolarHBondContact O-N 3.06Å; N532-Y535 PolarHBondContact O-N 3.26Å; N532-M536 WeakPolarHBondContact O-CB 3.47Å; N532-M536 VanDerWaalsContact O-CG 3.24Å; N532-M536 WeakPolarHBondContact O-CG 3.44Å; N532-M536 PolarHBondContact O-N 3.35Å
533	K	91.8	Very high	89.2	Confident	133 Å²	133	69.3 Å²	69.3	58%	0.578	35%	0.353	S	S	*	.	H	α-helix	trans	-61.3	-44.7	175	-176	-177.9	175.6	-170.5	0	112	E529 E530 F531 K537	E529-K533 WeakPolarHBondContact O-CB 3.34Å; E529-K533 PolarHBondContact O-N 3.08Å; E530-K533 IonicContact OE2-NZ 2.86Å; F531-K533 VanDerWaalsContact C-N 3.34Å; F531-K533 PolarHBondContact O-N 3.46Å; K533-K537 VanDerWaalsContact O-CB 3.3Å; K533-K537 WeakPolarHBondContact O-CB 3.04Å; K533-K537 PolarHBondContact O-N 3.08Å
534	S	92.2	Very high	89.2	Confident	5 Å²	5	74.3 Å²	74.3	4%	0.035	37%	0.371	C	S	.	.	H	α-helix	trans	-67.3	-41.2	177.3	-63.2	0	0	0	0	111.8	W386 E530 F531 K537 L538	W386-S534 PolarHBondContact NE1-OG 3.43Å; E530-S534 WeakPolarHBondContact O-CB 3.48Å; E530-S534 PolarHBondContact O-N 2.89Å; E530-S534 PolarHBondContact O-OG 3.37Å; F531-S534 PolarHBondContact O-N 3.01Å; S534-K537 PolarHBondContact O-N 3.32Å; S534-L538 WeakPolarHBondContact O-CG 3.33Å; S534-L538 PolarHBondContact O-N 3.39Å
535	Y	91.8	Very high	89.4	Confident	72 Å²	72	70.7 Å²	70.7	28%	0.282	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-49	174.9	168.3	-124.8	0	0	0	111.9	P504 F531 N532 K537 L538 G539 V545	P504-Y535 HydrophobicContact CB-CD2 3.93Å; P504-Y535 HydrophobicContact CB-CE2 3.98Å; P504-Y535 HydrophobicContact CB-CG 4.45Å; P504-Y535 HydrophobicContact CG-CD2 3.95Å; P504-Y535 HydrophobicContact CG-CE2 3.75Å; F531-Y535 VanDerWaalsContact O-CB 3.32Å; F531-Y535 WeakPolarHBondContact O-CB 3.33Å; F531-Y535 PolarHBondContact O-N 2.77Å; N532-Y535 PolarHBondContact O-N 3.26Å; Y535-K537 VanDerWaalsContact C-N 3.3Å; Y535-K537 PolarHBondContact O-N 2.95Å; Y535-L538 PolarHBondContact O-N 2.95Å; Y535-G539 PolarHBondContact O-N 2.88Å; Y535-V545 HydrophobicContact CD2-CB 4.11Å; Y535-V545 HydrophobicContact CD2-CG1 4.18Å; Y535-V545 HydrophobicContact CD2-CG2 4.26Å; Y535-V545 HydrophobicContact CE2-CB 4.19Å; Y535-V545 HydrophobicContact CE2-CG2 4.44Å
536	M	88.9	Confident	89.7	Confident	135 Å²	135	66 Å²	66	67%	0.665	33%	0.328	S	S	*	.	H	α-helix	trans	-63.4	-36.3	176.6	-70.2	-61.4	-71.1	0	0	112	N532 G540	N532-M536 WeakPolarHBondContact O-CB 3.47Å; N532-M536 VanDerWaalsContact O-CG 3.24Å; N532-M536 WeakPolarHBondContact O-CG 3.44Å; N532-M536 PolarHBondContact O-N 3.35Å; M536-G540 PolarHBondContact O-N 3.29Å
537	K	90.1	Very high	90.1	Very high	123 Å²	123	58.5 Å²	58.5	54%	0.535	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-46.8	176	-177	175.1	177.7	-177.4	0	112	I391 K533 S534 Y535 G540 M541	I391-K537 HydrophobicContact CD1-CD 3.92Å; K533-K537 VanDerWaalsContact O-CB 3.3Å; K533-K537 WeakPolarHBondContact O-CB 3.04Å; K533-K537 PolarHBondContact O-N 3.08Å; S534-K537 PolarHBondContact O-N 3.32Å; Y535-K537 VanDerWaalsContact C-N 3.3Å; Y535-K537 PolarHBondContact O-N 2.95Å; K537-G540 PolarHBondContact O-N 3.18Å; K537-M541 HydrophobicContact CG-CE 4.06Å; K537-M541 WeakPolarHBondContact O-CG 3.5Å; K537-M541 PolarHBondContact O-N 2.71Å
538	L	91.5	Very high	90.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-41.3	177.3	-67	175.5	0	0	0	111.5	H384 I391 S534 Y535 G540 M541 E543 V545 L581	H384-L538 HydrophobicContact CB-CD2 3.64Å; I391-L538 HydrophobicContact CD1-CD2 4.34Å; I391-L538 HydrophobicContact CG2-CD2 4.18Å; S534-L538 WeakPolarHBondContact O-CG 3.33Å; S534-L538 PolarHBondContact O-N 3.39Å; Y535-L538 PolarHBondContact O-N 2.95Å; L538-G540 VanDerWaalsContact C-N 3.32Å; L538-G540 PolarHBondContact O-N 3.38Å; L538-M541 WeakPolarHBondContact O-CB 3.35Å; L538-M541 PolarHBondContact O-N 3.06Å; L538-M541 VanDerWaalsContact O-N 3.15Å; L538-E543 PolarHBondContact O-N 3.39Å; L538-V545 HydrophobicContact CB-CG2 3.63Å; L538-V545 HydrophobicContact CD1-CG1 4.29Å; L538-V545 HydrophobicContact CD1-CG2 4.49Å; L538-L581 HydrophobicContact CD1-CD1 4.39Å
539	G	85.9	Confident	90.9	Very high	30 Å²	30	51.8 Å²	51.8	31%	0.309	26%	0.264	S	S	.	.	H	α-helix	trans	-63	-36.9	173.1	0	0	0	0	0	112.9	Y535 M541 G542	Y535-G539 PolarHBondContact O-N 2.88Å; G539-M541 PolarHBondContact O-N 2.98Å; G539-G542 PolarHBondContact O-N 3.41Å
540	G	84	Confident	91.1	Very high	58 Å²	58	45 Å²	45	60%	0.598	23%	0.233	S	C	*	.	H	α-helix	trans	-66.8	-19.2	174.6	0	0	0	0	0	114.3	M536 K537 L538 G542	M536-G540 PolarHBondContact O-N 3.29Å; K537-G540 PolarHBondContact O-N 3.18Å; L538-G540 VanDerWaalsContact C-N 3.32Å; L538-G540 PolarHBondContact O-N 3.38Å; G540-G542 PolarHBondContact O-N 2.95Å
541	M	86	Confident	91.4	Very high	64 Å²	64	45.6 Å²	45.6	32%	0.315	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	7.3	169.8	-63.7	-179.1	-172.7	0	0	112.7	K537 L538 G539 E543 A619	K537-M541 HydrophobicContact CG-CE 4.06Å; K537-M541 WeakPolarHBondContact O-CG 3.5Å; K537-M541 PolarHBondContact O-N 2.71Å; L538-M541 WeakPolarHBondContact O-CB 3.35Å; L538-M541 PolarHBondContact O-N 3.06Å; L538-M541 VanDerWaalsContact O-N 3.15Å; G539-M541 PolarHBondContact O-N 2.98Å; M541-E543 HydrophobicContact CB-CG 3.85Å; M541-E543 PolarHBondContact O-N 3.49Å; M541-A619 VanDerWaalsContact C-CB 3.49Å; M541-A619 WeakPolarHBondContact O-CB 3.41Å
542	G	83.3	Confident	91.4	Very high	11 Å²	11	48 Å²	48	11%	0.113	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	17.8	-178.6	0	0	0	0	0	113.6	G539 G540 T616	G539-G542 PolarHBondContact O-N 3.41Å; G540-G542 PolarHBondContact O-N 2.95Å; G542-T616 PolarHBondContact O-OG1 3.35Å
543	E	90.9	Very high	91.4	Very high	18 Å²	18	44 Å²	44	8%	0.084	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-94.2	141.7	-176.9	-49.9	-175	152.7	0	0	111.2	A383 H384 L538 M541 V545 S583 I585	A383-E543 WeakPolarHBondContact CB-OE1 3.24Å; H384-E543 IonicContact CE1-OE1 3.87Å; H384-E543 PolarHBondContact CE1-OE1 3.32Å; H384-E543 IonicContact CG-OE2 3.61Å; H384-E543 VanDerWaalsContact ND1-CD 3.25Å; H384-E543 IonicContact ND1-OE1 2.7Å; H384-E543 PolarHBondContact ND1-OE1 2.88Å; H384-E543 IonicContact ND1-OE2 2.69Å; H384-E543 PolarHBondContact ND1-OE2 3.47Å; L538-E543 PolarHBondContact O-N 3.39Å; M541-E543 HydrophobicContact CB-CG 3.85Å; M541-E543 PolarHBondContact O-N 3.49Å; E543-V545 PolarHBondContact O-N 3.26Å; E543-S583 WeakPolarHBondContact OE2-CB 3.43Å; E543-S583 PolarHBondContact OE2-OG 3.32Å; E543-I585 HydrophobicContact CG-CB 4.16Å; E543-I585 HydrophobicContact CG-CD1 4.14Å
544	R	89.5	Confident	91.3	Very high	112 Å²	112	40 Å²	40	42%	0.423	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.8	172	-178.2	175.6	179	164.2	-2.2	109.1	E217 S446 S583 M584	E217-R544 IonicContact OE1-NH1 2.69Å; E217-R544 PolarHBondContact OE1-NH1 2.77Å; S446-R544 PolarHBondContact OG-NE 3.21Å; R544-S583 CarbonylContact O-C 3.59Å; R544-S583 VanDerWaalsContact O-CA 3.26Å; R544-S583 WeakPolarHBondContact O-CA 3.26Å; R544-M584 HydrophobicContact CB-CG 3.99Å; R544-M584 PolarHBondContact N-O 3.47Å; R544-M584 WeakPolarHBondContact O-CG 3.39Å; R544-M584 PolarHBondContact O-N 3.15Å
545	V	93.6	Very high	91	Very high	13 Å²	13	41.8 Å²	41.8	8%	0.079	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.9	-175.8	-167.3	0	0	0	0	111	P504 Y535 L538 E543 L581	P504-V545 VanDerWaalsContact CD-O 3.27Å; P504-V545 WeakPolarHBondContact CD-O 3.28Å; P504-V545 HydrophobicContact CG-CB 3.91Å; P504-V545 HydrophobicContact CG-CG1 3.82Å; P504-V545 VanDerWaalsContact CG-O 3.31Å; P504-V545 WeakPolarHBondContact CG-O 3.46Å; Y535-V545 HydrophobicContact CD2-CB 4.11Å; Y535-V545 HydrophobicContact CD2-CG1 4.18Å; Y535-V545 HydrophobicContact CD2-CG2 4.26Å; Y535-V545 HydrophobicContact CE2-CB 4.19Å; Y535-V545 HydrophobicContact CE2-CG2 4.44Å; L538-V545 HydrophobicContact CB-CG2 3.63Å; L538-V545 HydrophobicContact CD1-CG1 4.29Å; L538-V545 HydrophobicContact CD1-CG2 4.49Å; E543-V545 PolarHBondContact O-N 3.26Å; V545-L581 HydrophobicContact CG1-CB 3.98Å; V545-L581 HydrophobicContact CG1-CD1 4.06Å; V545-L581 HydrophobicContact CG1-CD2 4.03Å; V545-L581 HydrophobicContact CG1-CG 4.26Å
546	L	95.2	Very high	90.8	Very high	22 Å²	22	47.6 Å²	47.6	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.5	172.9	-66.6	177.1	0	0	0	110.8	I450 F548 L581 M582 M584	I450-L546 HydrophobicContact CD1-CD1 3.96Å; L546-F548 HydrophobicContact CB-CE2 3.76Å; L546-F548 HydrophobicContact CB-CZ 4.09Å; L546-F548 WeakPolarHBondContact O-CD2 3.4Å; L546-F548 WeakPolarHBondContact O-CE2 3.49Å; L546-L581 VanDerWaalsContact O-CA 3.29Å; L546-L581 WeakPolarHBondContact O-CA 3.48Å; L546-M582 PolarHBondContact N-O 3.24Å; L546-M582 PolarHBondContact O-N 3.34Å; L546-M584 HydrophobicContact CD1-CE 3.69Å; L546-M584 HydrophobicContact CG-CE 4.35Å
547	G	96	Very high	90.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	144.9	173.1	0	0	0	0	0	112.4	K501 G502	K501-G547 WeakPolarHBondContact CA-O 3.42Å; G502-G547 PolarHBondContact N-O 2.78Å; G502-G547 VanDerWaalsContact N-O 3.1Å; G502-G547 PolarHBondContact O-N 2.81Å
548	F	97.2	Very high	90.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128	-177.8	-64.3	-95	0	0	0	110.5	L415 I418 A419 I450 K501 L546 V579 G580 M582	L415-F548 HydrophobicContact CD1-CB 3.55Å; L415-F548 HydrophobicContact CD1-CD2 3.97Å; L415-F548 HydrophobicContact CD1-CG 3.78Å; I418-F548 HydrophobicContact CB-CD1 4.36Å; I418-F548 HydrophobicContact CD1-CB 4.34Å; I418-F548 HydrophobicContact CG2-CB 4.05Å; I418-F548 HydrophobicContact CG2-CD1 3.72Å; I418-F548 HydrophobicContact CG2-CG 4.38Å; A419-F548 HydrophobicContact CB-CE1 4.35Å; I450-F548 HydrophobicContact CD1-CE1 4.33Å; I450-F548 HydrophobicContact CD1-CZ 3.85Å; K501-F548 HydrophobicContact CB-CD1 3.79Å; K501-F548 HydrophobicContact CB-CE1 3.81Å; K501-F548 HydrophobicContact CD-CE1 4.12Å; L546-F548 HydrophobicContact CB-CE2 3.76Å; L546-F548 HydrophobicContact CB-CZ 4.09Å; L546-F548 WeakPolarHBondContact O-CD2 3.4Å; L546-F548 WeakPolarHBondContact O-CE2 3.49Å; F548-V579 PolarHBondContact O-N 2.94Å; F548-G580 PolarHBondContact N-O 2.92Å; F548-G580 PolarHBondContact O-N 3.14Å; F548-M582 HydrophobicContact CD2-CB 4.45Å; F548-M582 HydrophobicContact CD2-CG 4.06Å; F548-M582 HydrophobicContact CE2-CB 3.61Å; F548-M582 HydrophobicContact CE2-CG 3.52Å; F548-M582 HydrophobicContact CE2-SD 4.19Å; F548-M582 HydrophobicContact CZ-CB 4.21Å; F548-M582 HydrophobicContact CZ-CG 4.05Å; F548-M582 HydrophobicContact CZ-SD 4.1Å
549	C	96.8	Very high	90.4	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.2	175.2	64.9	0	0	0	0	111.7	M500 I507 C511 L576 R577	M500-C549 PolarHBondContact N-O 3.21Å; M500-C549 PolarHBondContact O-N 3.22Å; I507-C549 HydrophobicContact CG2-CB 3.98Å; C511-C549 WeakPolarHBondContact SG-CB 3.04Å; C549-L576 HydrophobicContact CB-CB 4.39Å; C549-R577 CarbonylContact C-O 3.54Å; C549-R577 VanDerWaalsContact CA-O 3.23Å; C549-R577 WeakPolarHBondContact CA-O 3.42Å; C549-R577 WeakPolarHBondContact CB-O 3.03Å
550	D	95.7	Very high	90	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	168	174.5	67.4	-0.4	0	0	0	111.8	I418 L497 L498 V499 R577 V579	I418-D550 HydrophobicContact CD1-CB 3.82Å; I418-D550 HydrophobicContact CG1-CB 3.97Å; L497-D550 HydrophobicContact CD1-CB 4.18Å; L498-D550 CarbonylContact O-C 3.56Å; L498-D550 VanDerWaalsContact O-CA 3.22Å; L498-D550 WeakPolarHBondContact O-CA 3.45Å; L498-D550 WeakPolarHBondContact O-CB 3.34Å; V499-D550 HydrophobicContact CG1-CB 4.28Å; D550-R577 PolarHBondContact N-O 3.1Å; D550-R577 WeakPolarHBondContact O-CA 3.21Å; D550-R577 WeakPolarHBondContact O-CB 3.43Å; D550-R577 PolarHBondContact O-N 3.27Å; D550-R577 IonicContact OD1-CZ 3.7Å; D550-R577 VanDerWaalsContact OD1-CZ 3.22Å; D550-R577 IonicContact OD1-NE 3.37Å; D550-R577 PolarHBondContact OD1-NE 3.34Å; D550-R577 IonicContact OD1-NH2 3.61Å; D550-R577 PolarHBondContact OD1-NH2 3.49Å; D550-R577 IonicContact OD2-CZ 3.96Å; D550-R577 IonicContact OD2-NH2 3.84Å; D550-R577 PolarHBondContact OD2-NH2 3.1Å; D550-V579 WeakPolarHBondContact OD1-CG2 3.47Å
551	Y	94.9	Very high	89.9	Confident	74 Å²	74	52 Å²	52	29%	0.29	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	132.1	174	-170.9	-108.2	0	0	0	110.4	L498 L553 P572 L576	L498-Y551 PolarHBondContact N-O 3.43Å; L498-Y551 PolarHBondContact O-N 3.18Å; Y551-L553 HydrophobicContact CD1-CD2 3.9Å; Y551-L553 HydrophobicContact CD1-CG 4.5Å; Y551-L553 HydrophobicContact CE1-CD2 4.11Å; Y551-P572 HydrophobicContact CD1-CG 3.95Å; Y551-P572 HydrophobicContact CE1-CG 3.75Å; Y551-L576 HydrophobicContact CD1-CD2 4.47Å; Y551-L576 HydrophobicContact CG-CD2 3.97Å
552	R	92.1	Very high	89.9	Confident	54 Å²	54	51.7 Å²	51.7	20%	0.204	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.9	172.5	-70.6	-165.5	-175.2	-139	-4.6	109.3	R417 D491 D493 R495 L497	R417-R552 VanDerWaalsContact NH1-NH2 3.14Å; D491-R552 IonicContact OD1-NH1 2.75Å; D491-R552 IonicContact OD2-CZ 2.85Å; D491-R552 VanDerWaalsContact OD2-CZ 3.23Å; D491-R552 IonicContact OD2-NH1 2.73Å; D491-R552 PolarHBondContact OD2-NH1 3.15Å; D491-R552 IonicContact OD2-NH2 3.95Å; D491-R552 PolarHBondContact OD2-NH2 2.86Å; D493-R552 WeakPolarHBondContact OD2-CD 3.49Å; D493-R552 IonicContact OD2-CZ 2.94Å; D493-R552 IonicContact OD2-NE 3.66Å; D493-R552 IonicContact OD2-NH1 3.32Å; D493-R552 PolarHBondContact OD2-NH1 3.43Å; R495-R552 HydrophobicContact CB-CB 4.46Å; L497-R552 HydrophobicContact CD1-CG 4.02Å
553	L	91.7	Very high	90.1	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.			trans	-67.5	129.2	-179	-68.7	172.5	0	0	0	110.3	I486 R495 Y496 L498 Y551 A555 Y558 F564 P572	I486-L553 HydrophobicContact CD1-CD1 4.33Å; I486-L553 HydrophobicContact CG2-CD1 4.24Å; R495-L553 VanDerWaalsContact CB-O 3.24Å; R495-L553 WeakPolarHBondContact CB-O 3.38Å; R495-L553 WeakPolarHBondContact CD-O 3.38Å; R495-L553 WeakPolarHBondContact CG-O 3.4Å; Y496-L553 PolarHBondContact O-N 3.06Å; L498-L553 HydrophobicContact CB-CG 4.48Å; Y551-L553 HydrophobicContact CD1-CD2 3.9Å; Y551-L553 HydrophobicContact CD1-CG 4.5Å; Y551-L553 HydrophobicContact CE1-CD2 4.11Å; L553-A555 PolarHBondContact O-N 2.93Å; L553-Y558 HydrophobicContact CB-CD2 3.68Å; L553-Y558 HydrophobicContact CB-CE2 4.29Å; L553-Y558 HydrophobicContact CB-CG 4.06Å; L553-Y558 HydrophobicContact CD1-CG 4.43Å; L553-Y558 HydrophobicContact CD2-CD2 4.08Å; L553-Y558 HydrophobicContact CD2-CE2 3.84Å; L553-Y558 HydrophobicContact CG-CD2 4.33Å; L553-F564 HydrophobicContact CD1-CE1 3.72Å; L553-F564 HydrophobicContact CD1-CZ 3.81Å; L553-P572 HydrophobicContact CD2-CG 3.62Å
554	P	90.5	Very high	89.9	Confident	48 Å²	48	60.3 Å²	60.3	31%	0.312	30%	0.295	S	S	.	.			trans	-58.8	126.2	179.9	-24.7	33.4	0	0	0	112.2	E556 T557 Y558	P554-E556 PolarHBondContact O-N 3.34Å; P554-T557 PolarHBondContact O-N 2.91Å; P554-T557 VanDerWaalsContact O-N 3.08Å; P554-Y558 WeakPolarHBondContact O-CD2 3.41Å; P554-Y558 PolarHBondContact O-N 3.41Å
555	A	86.2	Confident	89.6	Confident	44 Å²	44	58.1 Å²	58.1	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.9	-178.1	0	0	0	0	0	113	R495 L553 T557 Y558	R495-A555 HydrophobicContact CG-CB 3.95Å; L553-A555 PolarHBondContact O-N 2.93Å; A555-T557 VanDerWaalsContact C-N 3.32Å; A555-T557 PolarHBondContact O-N 3.36Å; A555-Y558 CarbonylContact O-C 3.6Å
556	E	86.6	Confident	88.9	Confident	193 Å²	193	63 Å²	63	90%	0.902	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-36.4	175.9	-62.9	178.8	-176.7	0	0	112.3	P554	P554-E556 PolarHBondContact O-N 3.34Å
557	T	88	Confident	88	Confident	82 Å²	82	70.6 Å²	70.6	50%	0.503	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-33.6	-179.4	-46	0	0	0	0	111.8	P554 A555 P559	P554-T557 PolarHBondContact O-N 2.91Å; P554-T557 VanDerWaalsContact O-N 3.08Å; A555-T557 VanDerWaalsContact C-N 3.32Å; A555-T557 PolarHBondContact O-N 3.36Å; T557-P559 WeakPolarHBondContact O-CD 3.2Å
558	Y	89	Confident	87.2	Confident	29 Å²	29	77.5 Å²	77.5	11%	0.114	38%	0.38	C	S	.	.	S	Bend	trans	-122	76.8	-175.6	-55.2	-83.2	0	0	0	110.1	L553 P554 A555 F562 F564 N570 F571 P572	L553-Y558 HydrophobicContact CB-CD2 3.68Å; L553-Y558 HydrophobicContact CB-CE2 4.29Å; L553-Y558 HydrophobicContact CB-CG 4.06Å; L553-Y558 HydrophobicContact CD1-CG 4.43Å; L553-Y558 HydrophobicContact CD2-CD2 4.08Å; L553-Y558 HydrophobicContact CD2-CE2 3.84Å; L553-Y558 HydrophobicContact CG-CD2 4.33Å; P554-Y558 WeakPolarHBondContact O-CD2 3.41Å; P554-Y558 PolarHBondContact O-N 3.41Å; A555-Y558 CarbonylContact O-C 3.6Å; Y558-F562 AromaticContact CD1-CD1 3.76Å; Y558-F562 HydrophobicContact CD1-CD1 3.76Å; Y558-F562 HydrophobicContact CD1-CD2 4.27Å; Y558-F562 AromaticContact CD1-CE1 3.64Å; Y558-F562 HydrophobicContact CD1-CE1 3.64Å; Y558-F562 HydrophobicContact CD1-CE2 4.17Å; Y558-F562 HydrophobicContact CD1-CG 4.07Å; Y558-F562 AromaticContact CD1-CZ 3.85Å; Y558-F562 HydrophobicContact CD1-CZ 3.85Å; Y558-F562 HydrophobicContact CE1-CD1 4.45Å; Y558-F562 AromaticContact CE1-CE1 3.87Å; Y558-F562 HydrophobicContact CE1-CE1 3.87Å; Y558-F562 AromaticContact CE1-CZ 3.93Å; Y558-F562 HydrophobicContact CE1-CZ 3.93Å; Y558-F564 AromaticContact CD1-CE1 3.77Å; Y558-F564 HydrophobicContact CD1-CE1 3.77Å; Y558-F564 HydrophobicContact CD1-CZ 4.26Å; Y558-F564 HydrophobicContact CE1-CE1 4.23Å; Y558-N570 WeakPolarHBondContact CE1-O 3.32Å; Y558-F571 HydrophobicContact CE1-CB 4.22Å; Y558-P572 VanDerWaalsContact OH-CD 3.25Å; Y558-P572 WeakPolarHBondContact OH-CD 3.38Å
559	P	85.7	Confident	86.3	Confident	71 Å²	71	80.4 Å²	80.4	46%	0.461	40%	0.399	S	S	.	.			trans	-66.3	161.2	179.6	28.6	-36.3	0	0	0	111.8	Y496 T557 N561 F562	Y496-P559 WeakPolarHBondContact CE2-O 3.17Å; T557-P559 WeakPolarHBondContact O-CD 3.2Å; P559-N561 PolarHBondContact O-N 3.17Å; P559-F562 WeakPolarHBondContact O-CB 3.49Å; P559-F562 PolarHBondContact O-N 3.11Å
560	K	78.2	Confident	85.9	Confident	121 Å²	121	83.3 Å²	83.3	53%	0.526	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	127.8	173.7	-66.4	-173.1	-172.5	174.2	0	110.1	E494	E494-K560 VanDerWaalsContact CD-NZ 3.27Å; E494-K560 WeakPolarHBondContact OE1-CE 3.14Å; E494-K560 IonicContact OE1-NZ 2.7Å; E494-K560 PolarHBondContact OE1-NZ 3.1Å; E494-K560 IonicContact OE2-NZ 3.18Å
561	N	81	Confident	85.6	Confident	137 Å²	137	83.8 Å²	83.8	73%	0.733	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	18.6	-171	-48.5	-53.9	0	0	0	116.6	Y496 P559 K563	Y496-N561 PolarHBondContact OH-N 3.21Å; P559-N561 PolarHBondContact O-N 3.17Å; N561-K563 PolarHBondContact O-N 3.34Å
562	F	86.5	Confident	85.4	Confident	56 Å²	56	81.8 Å²	81.8	25%	0.246	41%	0.413	C	S	.	.			trans	-58.1	132.1	169	-173.5	-92.1	0	0	0	111	Y496 Y558 P559 F564 N570	Y496-F562 HydrophobicContact CE2-CB 4.25Å; Y558-F562 AromaticContact CD1-CD1 3.76Å; Y558-F562 HydrophobicContact CD1-CD1 3.76Å; Y558-F562 HydrophobicContact CD1-CD2 4.27Å; Y558-F562 AromaticContact CD1-CE1 3.64Å; Y558-F562 HydrophobicContact CD1-CE1 3.64Å; Y558-F562 HydrophobicContact CD1-CE2 4.17Å; Y558-F562 HydrophobicContact CD1-CG 4.07Å; Y558-F562 AromaticContact CD1-CZ 3.85Å; Y558-F562 HydrophobicContact CD1-CZ 3.85Å; Y558-F562 HydrophobicContact CE1-CD1 4.45Å; Y558-F562 AromaticContact CE1-CE1 3.87Å; Y558-F562 HydrophobicContact CE1-CE1 3.87Å; Y558-F562 AromaticContact CE1-CZ 3.93Å; Y558-F562 HydrophobicContact CE1-CZ 3.93Å; P559-F562 WeakPolarHBondContact O-CB 3.49Å; P559-F562 PolarHBondContact O-N 3.11Å; F562-F564 HydrophobicContact CB-CZ 4.47Å; F562-F564 AromaticContact CD1-CD1 3.65Å; F562-F564 HydrophobicContact CD1-CD1 3.65Å; F562-F564 HydrophobicContact CD1-CD2 4.23Å; F562-F564 AromaticContact CD1-CE1 3.53Å; F562-F564 HydrophobicContact CD1-CE1 3.53Å; F562-F564 HydrophobicContact CD1-CE2 4.12Å; F562-F564 HydrophobicContact CD1-CG 4.02Å; F562-F564 AromaticContact CD1-CZ 3.78Å; F562-F564 HydrophobicContact CD1-CZ 3.78Å; F562-F564 AromaticContact CE1-CD1 3.77Å; F562-F564 HydrophobicContact CE1-CD1 3.77Å; F562-F564 AromaticContact CE1-CE1 3.86Å; F562-F564 HydrophobicContact CE1-CE1 3.86Å; F562-F564 HydrophobicContact CE1-CG 4.4Å; F562-F564 PolarHBondContact O-N 3.17Å; F562-N570 VanDerWaalsContact CE1-ND2 3.27Å; F562-N570 WeakPolarHBondContact CE1-ND2 3.32Å; F562-N570 WeakPolarHBondContact CZ-ND2 3.28Å
563	K	86.1	Confident	85.3	Confident	187 Å²	187	80.9 Å²	80.9	81%	0.813	41%	0.413	S	S	*	.			trans	-87.2	106.4	178.3	-70.5	-172.2	179	-176.2	0	109.9	N561 N570	N561-K563 PolarHBondContact O-N 3.34Å; K563-N570 PolarHBondContact O-ND2 3.14Å
564	F	88.2	Confident	85.2	Confident	24 Å²	24	84.6 Å²	84.6	11%	0.105	44%	0.439	C	S	.	.			trans	-78.3	143.8	173.2	-61.9	-77.2	0	0	0	111	I471 L472 I486 Y496 L553 Y558 F562 N570 F571	I471-F564 HydrophobicContact CD1-CE2 4.4Å; I471-F564 HydrophobicContact CG2-CD2 3.95Å; I471-F564 HydrophobicContact CG2-CE2 4.49Å; L472-F564 HydrophobicContact CB-CB 4.19Å; L472-F564 HydrophobicContact CD1-CB 3.81Å; L472-F564 HydrophobicContact CD2-CB 3.98Å; L472-F564 HydrophobicContact CG-CB 4.21Å; I486-F564 HydrophobicContact CD1-CB 4.46Å; I486-F564 HydrophobicContact CD1-CD1 3.55Å; I486-F564 HydrophobicContact CD1-CD2 4.36Å; I486-F564 HydrophobicContact CD1-CE1 3.77Å; I486-F564 HydrophobicContact CD1-CG 3.87Å; I486-F564 HydrophobicContact CD1-CZ 4.26Å; I486-F564 HydrophobicContact CG2-CD2 4.43Å; I486-F564 HydrophobicContact CG2-CE2 3.96Å; I486-F564 HydrophobicContact CG2-CZ 4.03Å; Y496-F564 AromaticContact CD2-CE2 3.87Å; Y496-F564 HydrophobicContact CD2-CE2 3.87Å; Y496-F564 AromaticContact CD2-CZ 3.63Å; Y496-F564 HydrophobicContact CD2-CZ 3.63Å; Y496-F564 AromaticContact CE2-CE2 3.98Å; Y496-F564 HydrophobicContact CE2-CE2 3.98Å; Y496-F564 HydrophobicContact CE2-CZ 4.09Å; Y496-F564 HydrophobicContact CG-CE2 4.13Å; Y496-F564 HydrophobicContact CG-CZ 4.03Å; L553-F564 HydrophobicContact CD1-CE1 3.72Å; L553-F564 HydrophobicContact CD1-CZ 3.81Å; Y558-F564 AromaticContact CD1-CE1 3.77Å; Y558-F564 HydrophobicContact CD1-CE1 3.77Å; Y558-F564 HydrophobicContact CD1-CZ 4.26Å; Y558-F564 HydrophobicContact CE1-CE1 4.23Å; F562-F564 HydrophobicContact CB-CZ 4.47Å; F562-F564 AromaticContact CD1-CD1 3.65Å; F562-F564 HydrophobicContact CD1-CD1 3.65Å; F562-F564 HydrophobicContact CD1-CD2 4.23Å; F562-F564 AromaticContact CD1-CE1 3.53Å; F562-F564 HydrophobicContact CD1-CE1 3.53Å; F562-F564 HydrophobicContact CD1-CE2 4.12Å; F562-F564 HydrophobicContact CD1-CG 4.02Å; F562-F564 AromaticContact CD1-CZ 3.78Å; F562-F564 HydrophobicContact CD1-CZ 3.78Å; F562-F564 AromaticContact CE1-CD1 3.77Å; F562-F564 HydrophobicContact CE1-CD1 3.77Å; F562-F564 AromaticContact CE1-CE1 3.86Å; F562-F564 HydrophobicContact CE1-CE1 3.86Å; F562-F564 HydrophobicContact CE1-CG 4.4Å; F562-F564 PolarHBondContact O-N 3.17Å; F564-N570 WeakPolarHBondContact CA-OD1 3.31Å; F564-F571 HydrophobicContact CB-CD1 4.46Å; F564-F571 HydrophobicContact CB-CE1 4.46Å; F564-F571 HydrophobicContact CD1-CB 4.3Å; F564-F571 AromaticContact CD1-CD1 3.74Å; F564-F571 HydrophobicContact CD1-CD1 3.74Å; F564-F571 HydrophobicContact CD1-CE1 4.48Å; F564-F571 HydrophobicContact CD1-CG 4.31Å; F564-F571 HydrophobicContact CE1-CB 4.34Å
565	N	83.3	Confident	85.2	Confident	65 Å²	65	83.7 Å²	83.7	35%	0.348	44%	0.439	S	S	.	.			trans	-112.8	131.3	177.6	-174.1	-6.5	0	0	0	110.5	E567 E568 N570 F571	N565-E567 PolarHBondContact OD1-N 3.46Å; N565-E567 VanDerWaalsContact OD1-N 3.13Å; N565-E568 WeakPolarHBondContact CB-O 3.38Å; N565-N570 PolarHBondContact N-OD1 2.83Å; N565-F571 WeakPolarHBondContact O-CE1 3.38Å
566	E	77.8	Confident	85.7	Confident	116 Å²	116	81.6 Å²	81.6	54%	0.542	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-42	-178.5	-63.5	-178.9	-177.5	0	0	112.8	L472	L472-E566 HydrophobicContact CD1-CB 4.39Å; L472-E566 HydrophobicContact CD1-CG 3.25Å; L472-E566 HydrophobicContact CG-CG 3.96Å
567	E	76.1	Confident	86.1	Confident	181 Å²	181	73.8 Å²	73.8	85%	0.846	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-40.4	-173.2	-65.4	-175.9	167.9	0	0	111.9	N565	N565-E567 PolarHBondContact OD1-N 3.46Å; N565-E567 VanDerWaalsContact OD1-N 3.13Å
568	E	79.4	Confident	86.5	Confident	146 Å²	146	69.9 Å²	69.9	68%	0.682	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	93.4	175.5	-69.1	-174.3	167.8	0	0	109.1	N565 N570	N565-E568 WeakPolarHBondContact CB-O 3.38Å; E568-N570 PolarHBondContact O-N 3.09Å
569	P	79.1	Confident	86.8	Confident	60 Å²	60	68.6 Å²	68.6	39%	0.39	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	106.6	-174.7	-26.7	34.8	0	0	0	112	I474 F571 V573	I474-P569 HydrophobicContact CD1-CG 4.5Å; P569-F571 HydrophobicContact CB-CE1 4.16Å; P569-F571 HydrophobicContact CB-CE2 4.16Å; P569-F571 HydrophobicContact CB-CZ 3.96Å; P569-F571 PolarHBondContact O-N 3.37Å; P569-V573 HydrophobicContact CB-CG1 4.11Å
570	N	88	Confident	87.2	Confident	61 Å²	61	65.2 Å²	65.2	33%	0.326	33%	0.333	S	S	.	.			trans	-89.2	28.8	176.3	66.2	-17.6	0	0	0	112.6	Y558 F562 K563 F564 N565 E568	Y558-N570 WeakPolarHBondContact CE1-O 3.32Å; F562-N570 VanDerWaalsContact CE1-ND2 3.27Å; F562-N570 WeakPolarHBondContact CE1-ND2 3.32Å; F562-N570 WeakPolarHBondContact CZ-ND2 3.28Å; K563-N570 PolarHBondContact O-ND2 3.14Å; F564-N570 WeakPolarHBondContact CA-OD1 3.31Å; N565-N570 PolarHBondContact N-OD1 2.83Å; E568-N570 PolarHBondContact O-N 3.09Å
571	F	90.3	Very high	88	Confident	10 Å²	10	59.5 Å²	59.5	4%	0.044	31%	0.308	C	S	.	.	S	Bend	trans	-145.8	156.7	-177	50.1	-91.1	0	0	0	109.9	L472 I474 L484 I486 L498 Y558 F564 N565 P569 V573	L472-F571 HydrophobicContact CD2-CD1 4.36Å; L472-F571 HydrophobicContact CD2-CE1 3.34Å; L472-F571 HydrophobicContact CD2-CE2 4.46Å; L472-F571 HydrophobicContact CD2-CZ 3.39Å; I474-F571 HydrophobicContact CD1-CE2 4.43Å; I474-F571 HydrophobicContact CD1-CZ 3.9Å; L484-F571 HydrophobicContact CD1-CE2 4Å; L484-F571 HydrophobicContact CD2-CE2 3.65Å; L484-F571 HydrophobicContact CD2-CZ 3.98Å; I486-F571 HydrophobicContact CD1-CD1 3.95Å; I486-F571 HydrophobicContact CD1-CD2 4.08Å; I486-F571 HydrophobicContact CD1-CE1 4.12Å; I486-F571 HydrophobicContact CD1-CE2 4.25Å; I486-F571 HydrophobicContact CD1-CG 3.92Å; I486-F571 HydrophobicContact CD1-CZ 4.26Å; L498-F571 HydrophobicContact CD1-CD2 3.83Å; L498-F571 HydrophobicContact CD1-CE2 4.44Å; Y558-F571 HydrophobicContact CE1-CB 4.22Å; F564-F571 HydrophobicContact CB-CD1 4.46Å; F564-F571 HydrophobicContact CB-CE1 4.46Å; F564-F571 HydrophobicContact CD1-CB 4.3Å; F564-F571 AromaticContact CD1-CD1 3.74Å; F564-F571 HydrophobicContact CD1-CD1 3.74Å; F564-F571 HydrophobicContact CD1-CE1 4.48Å; F564-F571 HydrophobicContact CD1-CG 4.31Å; F564-F571 HydrophobicContact CE1-CB 4.34Å; N565-F571 WeakPolarHBondContact O-CE1 3.38Å; P569-F571 HydrophobicContact CB-CE1 4.16Å; P569-F571 HydrophobicContact CB-CE2 4.16Å; P569-F571 HydrophobicContact CB-CZ 3.96Å; P569-F571 PolarHBondContact O-N 3.37Å; F571-V573 HydrophobicContact CD2-CG1 4.33Å; F571-V573 HydrophobicContact CE2-CG1 4.12Å; F571-V573 PolarHBondContact O-N 2.65Å
572	P	90.4	Very high	88.7	Confident	33 Å²	33	53 Å²	53	21%	0.214	27%	0.273	C	S	.	.			trans	-65	127.7	-178	25.6	-35.6	0	0	0	112.1	L498 Y551 L553 Y558	L498-P572 WeakPolarHBondContact CD1-O 3.45Å; Y551-P572 HydrophobicContact CD1-CG 3.95Å; Y551-P572 HydrophobicContact CE1-CG 3.75Å; L553-P572 HydrophobicContact CD2-CG 3.62Å; Y558-P572 VanDerWaalsContact OH-CD 3.25Å; Y558-P572 WeakPolarHBondContact OH-CD 3.38Å
573	V	88.7	Confident	89.1	Confident	35 Å²	35	50.3 Å²	50.3	21%	0.212	26%	0.261	C	S	.	.	S	Bend	trans	-108.1	7.8	171.6	-64.5	0	0	0	0	112.7	R510 P569 F571	R510-V573 WeakPolarHBondContact CD-O 3.38Å; R510-V573 PolarHBondContact NH1-O 2.79Å; P569-V573 HydrophobicContact CB-CG1 4.11Å; F571-V573 HydrophobicContact CD2-CG1 4.33Å; F571-V573 HydrophobicContact CE2-CG1 4.12Å; F571-V573 PolarHBondContact O-N 2.65Å
574	S	90.7	Very high	89.4	Confident	77 Å²	77	41.4 Å²	41.4	54%	0.538	22%	0.223	S	C	.	.	S	Bend	trans	-145.7	158.7	179.2	57.8	0	0	0	0	109.5	R510	R510-S574 CarbonylContact O-C 3.57Å; R510-S574 WeakPolarHBondContact O-CA 3.39Å
575	G	90.8	Very high	89.6	Confident	30 Å²	30	41 Å²	41	31%	0.309	22%	0.222	S	C	.	.	S	Bend	trans	78.5	25.9	-174.2	0	0	0	0	0	112.9	R510 S512	R510-G575 PolarHBondContact O-N 3.28Å; S512-G575 VanDerWaalsContact OG-C 3.28Å; S512-G575 VanDerWaalsContact OG-CA 3.3Å; S512-G575 WeakPolarHBondContact OG-CA 2.98Å; S512-G575 PolarHBondContact OG-O 2.96Å
576	L	95.1	Very high	89.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	169.9	-178.8	-51.3	177.9	0	0	0	111	L498 M500 R510 C511 S512 T513 C549 Y551	L498-L576 HydrophobicContact CD2-CD1 4.25Å; L498-L576 HydrophobicContact CD2-CD2 3.98Å; M500-L576 HydrophobicContact CB-CD1 4.49Å; M500-L576 HydrophobicContact CE-CD1 3.72Å; M500-L576 HydrophobicContact SD-CD1 3.96Å; R510-L576 PolarHBondContact O-N 3.15Å; C511-L576 CarbonylContact C-O 3.57Å; C511-L576 VanDerWaalsContact CA-O 3.22Å; C511-L576 WeakPolarHBondContact CA-O 3.34Å; S512-L576 PolarHBondContact N-O 2.9Å; T513-L576 PolarHBondContact N-O 3.08Å; C549-L576 HydrophobicContact CB-CB 4.39Å; Y551-L576 HydrophobicContact CD1-CD2 4.47Å; Y551-L576 HydrophobicContact CG-CD2 3.97Å
577	R	95	Very high	90.5	Very high	29 Å²	29	33.2 Å²	33.2	11%	0.109	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.9	174.8	-177.9	-179.6	68	175.1	7	110.2	T513 L515 E520 C549 D550	T513-R577 CarbonylContact O-C 3.53Å; T513-R577 WeakPolarHBondContact O-CA 3.43Å; T513-R577 WeakPolarHBondContact OG1-CA 3.39Å; T513-R577 WeakPolarHBondContact OG1-CB 3.49Å; L515-R577 HydrophobicContact CB-CG 4.46Å; E520-R577 VanDerWaalsContact CD-CD 3.45Å; E520-R577 WeakPolarHBondContact OE1-CD 3.32Å; E520-R577 IonicContact OE1-CZ 3.33Å; E520-R577 IonicContact OE1-NE 4Å; E520-R577 IonicContact OE1-NH1 3.46Å; E520-R577 PolarHBondContact OE1-NH1 2.84Å; C549-R577 CarbonylContact C-O 3.54Å; C549-R577 VanDerWaalsContact CA-O 3.23Å; C549-R577 WeakPolarHBondContact CA-O 3.42Å; C549-R577 WeakPolarHBondContact CB-O 3.03Å; D550-R577 PolarHBondContact N-O 3.1Å; D550-R577 WeakPolarHBondContact O-CA 3.21Å; D550-R577 WeakPolarHBondContact O-CB 3.43Å; D550-R577 PolarHBondContact O-N 3.27Å; D550-R577 IonicContact OD1-CZ 3.7Å; D550-R577 VanDerWaalsContact OD1-CZ 3.22Å; D550-R577 IonicContact OD1-NE 3.37Å; D550-R577 PolarHBondContact OD1-NE 3.34Å; D550-R577 IonicContact OD1-NH2 3.61Å; D550-R577 PolarHBondContact OD1-NH2 3.49Å; D550-R577 IonicContact OD2-CZ 3.96Å; D550-R577 IonicContact OD2-NH2 3.84Å; D550-R577 PolarHBondContact OD2-NH2 3.1Å
578	F	96.2	Very high	91.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	134.6	173.7	-169.2	-85.3	0	0	0	110.5	W386 I507 I508 C511 T513 I514 L515 F531 G580 L581	W386-F578 AromaticContact CE3-CE1 3.91Å; W386-F578 HydrophobicContact CE3-CE1 3.91Å; W386-F578 HydrophobicContact CZ3-CD1 4.14Å; W386-F578 AromaticContact CZ3-CE1 3.48Å; W386-F578 HydrophobicContact CZ3-CE1 3.48Å; W386-F578 VanDerWaalsContact CZ3-CE1 3.48Å; W386-F578 HydrophobicContact CZ3-CZ 4.3Å; I507-F578 HydrophobicContact CG2-CD2 3.97Å; I507-F578 HydrophobicContact CG2-CE2 3.95Å; I508-F578 HydrophobicContact CD1-CB 4.38Å; I508-F578 HydrophobicContact CD1-CD2 3.61Å; I508-F578 HydrophobicContact CD1-CE2 4.04Å; I508-F578 HydrophobicContact CD1-CG 3.89Å; C511-F578 HydrophobicContact CB-CB 3.85Å; T513-F578 PolarHBondContact O-N 3.44Å; I514-F578 CarbonylContact C-O 3.58Å; I514-F578 WeakPolarHBondContact CA-O 3.48Å; I514-F578 HydrophobicContact CB-CB 4.38Å; I514-F578 HydrophobicContact CD1-CD1 3.96Å; I514-F578 HydrophobicContact CG1-CB 4.37Å; I514-F578 HydrophobicContact CG1-CD1 4.09Å; L515-F578 PolarHBondContact N-O 2.81Å; F531-F578 HydrophobicContact CD2-CE1 4.37Å; F531-F578 HydrophobicContact CD2-CE2 4.43Å; F531-F578 AromaticContact CD2-CZ 3.99Å; F531-F578 HydrophobicContact CD2-CZ 3.99Å; F531-F578 HydrophobicContact CE2-CE1 4.35Å; F531-F578 AromaticContact CE2-CE2 3.76Å; F531-F578 HydrophobicContact CE2-CE2 3.76Å; F531-F578 AromaticContact CE2-CZ 3.53Å; F531-F578 HydrophobicContact CE2-CZ 3.53Å; F578-G580 VanDerWaalsContact CE1-CA 3.45Å; F578-G580 VanDerWaalsContact CE1-N 3.3Å; F578-G580 VanDerWaalsContact CZ-O 3.29Å; F578-G580 WeakPolarHBondContact CZ-O 3.44Å; F578-L581 HydrophobicContact CE2-CD2 4.49Å; F578-L581 HydrophobicContact CZ-CD2 3.88Å; F578-L581 HydrophobicContact CZ-CG 4.11Å
579	V	95.5	Very high	91.6	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-44.5	-177.9	179.6	0	0	0	0	112.4	T411 A414 L415 I418 L515 F548 D550	T411-V579 HydrophobicContact CG2-CG1 4.32Å; A414-V579 HydrophobicContact CB-CG1 3.87Å; L415-V579 HydrophobicContact CB-CG1 3.8Å; L415-V579 HydrophobicContact CD1-CG1 4.33Å; I418-V579 HydrophobicContact CD1-CB 3.72Å; I418-V579 HydrophobicContact CD1-CG1 4.15Å; I418-V579 HydrophobicContact CD1-CG2 3.55Å; L515-V579 HydrophobicContact CD2-CG1 4.34Å; F548-V579 PolarHBondContact O-N 2.94Å; D550-V579 WeakPolarHBondContact OD1-CG2 3.47Å
580	G	94.9	Very high	91.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	176.2	-177.8	0	0	0	0	0	114.9	W386 F548 F578	W386-G580 CarbonylContact O-C 3.47Å; W386-G580 WeakPolarHBondContact O-CA 3.43Å; F548-G580 PolarHBondContact N-O 2.92Å; F548-G580 PolarHBondContact O-N 3.14Å; F578-G580 VanDerWaalsContact CE1-CA 3.45Å; F578-G580 VanDerWaalsContact CE1-N 3.3Å; F578-G580 VanDerWaalsContact CZ-O 3.29Å; F578-G580 WeakPolarHBondContact CZ-O 3.44Å
581	L	95.6	Very high	92	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	149.6	167.7	-56.9	169.2	0	0	0	109.9	M385 W386 P504 F531 L538 V545 L546 F578	M385-L581 CarbonylContact C-O 3.54Å; M385-L581 WeakPolarHBondContact CA-O 3.36Å; W386-L581 HydrophobicContact CB-CB 3.87Å; W386-L581 HydrophobicContact CB-CD1 4.19Å; W386-L581 HydrophobicContact CB-CG 4.26Å; W386-L581 HydrophobicContact CD2-CD1 4.47Å; W386-L581 HydrophobicContact CE3-CD1 4.36Å; W386-L581 HydrophobicContact CE3-CG 4.2Å; W386-L581 HydrophobicContact CG-CD1 4.44Å; W386-L581 PolarHBondContact N-O 2.83Å; W386-L581 PolarHBondContact O-N 3.16Å; P504-L581 HydrophobicContact CB-CD2 3.97Å; P504-L581 HydrophobicContact CG-CD2 4.25Å; F531-L581 HydrophobicContact CD2-CD1 4.21Å; F531-L581 HydrophobicContact CE2-CD1 3.9Å; F531-L581 HydrophobicContact CE2-CD2 3.6Å; F531-L581 HydrophobicContact CE2-CG 3.97Å; F531-L581 HydrophobicContact CZ-CD2 4.13Å; L538-L581 HydrophobicContact CD1-CD1 4.39Å; V545-L581 HydrophobicContact CG1-CB 3.98Å; V545-L581 HydrophobicContact CG1-CD1 4.06Å; V545-L581 HydrophobicContact CG1-CD2 4.03Å; V545-L581 HydrophobicContact CG1-CG 4.26Å; L546-L581 VanDerWaalsContact O-CA 3.29Å; L546-L581 WeakPolarHBondContact O-CA 3.48Å; F578-L581 HydrophobicContact CE2-CD2 4.49Å; F578-L581 HydrophobicContact CZ-CD2 3.88Å; F578-L581 HydrophobicContact CZ-CG 4.11Å
582	M	95.4	Very high	92.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.9	158.5	-56.3	-169.7	174.7	0	0	108.4	V382 M385 W412 L415 A419 L546 F548	V382-M582 HydrophobicContact CG1-CB 4.42Å; M385-M582 HydrophobicContact CG-CG 4.1Å; W412-M582 HydrophobicContact CH2-CE 4.36Å; W412-M582 HydrophobicContact CZ3-CE 3.99Å; L415-M582 HydrophobicContact CD1-CE 4.12Å; L415-M582 HydrophobicContact CD2-CE 4Å; L415-M582 HydrophobicContact CD2-CG 4.45Å; L415-M582 HydrophobicContact CG-CE 3.61Å; A419-M582 HydrophobicContact CB-CE 3.61Å; A419-M582 HydrophobicContact CB-SD 4.24Å; L546-M582 PolarHBondContact N-O 3.24Å; L546-M582 PolarHBondContact O-N 3.34Å; F548-M582 HydrophobicContact CD2-CB 4.45Å; F548-M582 HydrophobicContact CD2-CG 4.06Å; F548-M582 HydrophobicContact CE2-CB 3.61Å; F548-M582 HydrophobicContact CE2-CG 3.52Å; F548-M582 HydrophobicContact CE2-SD 4.19Å; F548-M582 HydrophobicContact CZ-CB 4.21Å; F548-M582 HydrophobicContact CZ-CG 4.05Å; F548-M582 HydrophobicContact CZ-SD 4.1Å
583	S	94.3	Very high	92.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	150.7	171.1	65.8	0	0	0	0	110.4	V382 A383 H384 E543 R544	V382-S583 CarbonylContact C-O 3.43Å; V382-S583 WeakPolarHBondContact CA-O 3.44Å; A383-S583 PolarHBondContact N-O 3.13Å; H384-S583 WeakPolarHBondContact CA-OG 3.39Å; H384-S583 VanDerWaalsContact CB-OG 3.29Å; H384-S583 WeakPolarHBondContact CB-OG 3.44Å; H384-S583 PolarHBondContact N-OG 3.08Å; H384-S583 VanDerWaalsContact N-OG 3.14Å; H384-S583 PolarHBondContact O-N 3.22Å; H384-S583 PolarHBondContact O-OG 3.07Å; E543-S583 WeakPolarHBondContact OE2-CB 3.43Å; E543-S583 PolarHBondContact OE2-OG 3.32Å; R544-S583 CarbonylContact O-C 3.59Å; R544-S583 VanDerWaalsContact O-CA 3.26Å; R544-S583 WeakPolarHBondContact O-CA 3.26Å
584	M	93.3	Very high	92.3	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.2	-178	58.6	-169.8	70.7	0	0	110.5	M380 T381 S446 A449 I450 R544 L546	M380-M584 HydrophobicContact CG-CB 3.98Å; M380-M584 HydrophobicContact CG-CG 3.8Å; M380-M584 HydrophobicContact CG-SD 3.74Å; M380-M584 HydrophobicContact SD-CB 3.86Å; M380-M584 HydrophobicContact SD-CG 3.65Å; M380-M584 HydrophobicContact SD-SD 4.32Å; T381-M584 CarbonylContact O-C 3.51Å; T381-M584 WeakPolarHBondContact O-CA 3.16Å; T381-M584 WeakPolarHBondContact O-CB 3.43Å; S446-M584 WeakPolarHBondContact CA-SD 3.21Å; S446-M584 WeakPolarHBondContact CB-SD 3.45Å; S446-M584 PolarHBondContact OG-SD 2.72Å; S446-M584 VanDerWaalsContact OG-SD 3.32Å; A449-M584 HydrophobicContact CB-SD 4.31Å; I450-M584 HydrophobicContact CD1-CE 3.95Å; I450-M584 HydrophobicContact CG1-CE 3.86Å; R544-M584 HydrophobicContact CB-CG 3.99Å; R544-M584 PolarHBondContact N-O 3.47Å; R544-M584 WeakPolarHBondContact O-CG 3.39Å; R544-M584 PolarHBondContact O-N 3.15Å; L546-M584 HydrophobicContact CD1-CE 3.69Å; L546-M584 HydrophobicContact CG-CE 4.35Å
585	I	91.2	Very high	92.5	Very high	16 Å²	16	18 Å²	18	8%	0.082	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165.2	178.9	-161	167.4	0	0	0	108.6	M380 T381 A383 E543 P587 I620	M380-I585 VanDerWaalsContact SD-C 3.54Å; T381-I585 PolarHBondContact N-O 2.97Å; T381-I585 PolarHBondContact O-N 3.45Å; T381-I585 VanDerWaalsContact O-O 3.13Å; A383-I585 HydrophobicContact CB-CG2 3.83Å; E543-I585 HydrophobicContact CG-CB 4.16Å; E543-I585 HydrophobicContact CG-CD1 4.14Å; I585-P587 HydrophobicContact CG2-CB 4.46Å; I585-P587 VanDerWaalsContact O-CD 3.25Å; I585-P587 WeakPolarHBondContact O-CD 3.24Å; I585-I620 HydrophobicContact CD1-CD1 3.72Å; I585-I620 HydrophobicContact CD1-CG1 4.39Å; I585-I620 HydrophobicContact CG1-CD1 4.22Å
586	D	89.3	Confident	92.7	Very high	15 Å²	15	16.5 Å²	16.5	8%	0.08	10%	0.101	C	C	.	.			trans	-83.1	102.4	162	-179	21.8	0	0	0	108.9	T376 Q377 N378 R379 I620	T376-D586 VanDerWaalsContact CB-CG 3.45Å; T376-D586 WeakPolarHBondContact CB-OD2 3.46Å; T376-D586 WeakPolarHBondContact CG2-O 3.5Å; T376-D586 VanDerWaalsContact OG1-CG 3.31Å; T376-D586 PolarHBondContact OG1-OD2 3.14Å; Q377-D586 PolarHBondContact N-OD1 3.48Å; N378-D586 WeakPolarHBondContact CA-OD1 3.44Å; N378-D586 WeakPolarHBondContact CA-OD2 3.33Å; N378-D586 PolarHBondContact N-OD1 3.34Å; N378-D586 PolarHBondContact N-OD2 3.32Å; R379-D586 PolarHBondContact N-OD1 3.31Å; D586-I620 WeakPolarHBondContact O-CD1 3.17Å
587	P	90.5	Very high	92.6	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-78.4	156.1	-168.3	33.4	-34.7	0	0	0	111.8	T376 Q377 R379 T396 I585	T376-P587 VanDerWaalsContact CA-O 3.28Å; T376-P587 WeakPolarHBondContact CA-O 3.06Å; T376-P587 WeakPolarHBondContact CB-O 3.39Å; Q377-P587 HydrophobicContact CG-CG 4.42Å; Q377-P587 WeakPolarHBondContact CG-O 3.34Å; Q377-P587 PolarHBondContact N-O 2.89Å; R379-P587 WeakPolarHBondContact O-CD 3.38Å; T396-P587 HydrophobicContact CG2-CB 4.17Å; I585-P587 HydrophobicContact CG2-CB 4.46Å; I585-P587 VanDerWaalsContact O-CD 3.25Å; I585-P587 WeakPolarHBondContact O-CD 3.24Å
588	P	91.1	Very high	92.6	Very high	30 Å²	30	22 Å²	22	20%	0.195	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-56.7	151.9	169.2	-24.4	34.8	0	0	0	112.9	L375 Q377 I620 V624	L375-P588 WeakPolarHBondContact O-CA 3.48Å; Q377-P588 PolarHBondContact NE2-O 3.05Å; P588-I620 HydrophobicContact CG-CD1 4.4Å; P588-V624 HydrophobicContact CB-CG1 3.76Å; P588-V624 HydrophobicContact CG-CG1 3.78Å
589	R	89.1	Confident	92.5	Very high	24 Å²	24	22 Å²	22	9%	0.091	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-68.9	146.7	167.9	-58.1	175.4	176.1	-91.4	15.9	109.7	G373 T374 L375 T376 Q377 E398 A591 V592 P593 D746	G373-R589 PolarHBondContact O-NE 3.26Å; G373-R589 PolarHBondContact O-NH2 3.4Å; T374-R589 PolarHBondContact O-NE 3.25Å; L375-R589 PolarHBondContact O-N 2.87Å; T376-R589 PolarHBondContact O-NE 2.88Å; T376-R589 VanDerWaalsContact O-NE 3.15Å; Q377-R589 HydrophobicContact CG-CG 3.88Å; E398-R589 IonicContact OE1-NH1 2.98Å; E398-R589 PolarHBondContact OE1-NH1 3.31Å; R589-A591 PolarHBondContact O-N 3.21Å; R589-A591 VanDerWaalsContact O-N 3.1Å; R589-V592 HydrophobicContact CB-CB 4.48Å; R589-V592 HydrophobicContact CB-CG2 3.73Å; R589-V592 HydrophobicContact CG-CG2 4.41Å; R589-V592 WeakPolarHBondContact O-CB 3.39Å; R589-V592 PolarHBondContact O-N 3.34Å; R589-P593 WeakPolarHBondContact O-CD 2.94Å; R589-D746 IonicContact NH2-OD2 2.74Å; R589-D746 PolarHBondContact NH2-OD2 3.43Å
590	A	85.4	Confident	92.5	Very high	60 Å²	60	26.2 Å²	26.2	50%	0.496	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32	-171	0	0	0	0	0	114.5
591	A	88.8	Confident	92.4	Very high	30 Å²	30	30 Å²	30	25%	0.248	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-12.3	-179	0	0	0	0	0	114.1	R589 A595 N747 A749	R589-A591 PolarHBondContact O-N 3.21Å; R589-A591 VanDerWaalsContact O-N 3.1Å; A591-A595 VanDerWaalsContact O-CB 3.28Å; A591-A595 WeakPolarHBondContact O-CB 3.5Å; A591-A595 PolarHBondContact O-N 3.27Å; A591-N747 WeakPolarHBondContact CB-OD1 3.44Å; A591-A749 HydrophobicContact CB-CB 4.15Å
592	V	92.3	Very high	92.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-46.4	-173.3	165.6	0	0	0	0	112.6	L375 R589 D594 A595 V596 V624 F748	L375-V592 HydrophobicContact CB-CG1 4.27Å; L375-V592 HydrophobicContact CD2-CG1 3.59Å; R589-V592 HydrophobicContact CB-CB 4.48Å; R589-V592 HydrophobicContact CB-CG2 3.73Å; R589-V592 HydrophobicContact CG-CG2 4.41Å; R589-V592 WeakPolarHBondContact O-CB 3.39Å; R589-V592 PolarHBondContact O-N 3.34Å; V592-D594 PolarHBondContact O-N 3.14Å; V592-A595 PolarHBondContact O-N 3.37Å; V592-V596 HydrophobicContact CG1-CG2 4.12Å; V592-V596 WeakPolarHBondContact O-CG2 3.47Å; V592-V596 PolarHBondContact O-N 3.21Å; V592-V624 HydrophobicContact CG1-CB 3.89Å; V592-V624 HydrophobicContact CG1-CG1 3.62Å; V592-F748 HydrophobicContact CG2-CB 3.47Å; V592-F748 VanDerWaalsContact CG2-CB 3.47Å; V592-F748 HydrophobicContact CG2-CD1 4.45Å; V592-F748 HydrophobicContact CG2-CG 3.93Å
593	P	91.9	Very high	92.3	Very high	52 Å²	52	31.2 Å²	31.2	34%	0.338	19%	0.189	S	C	.	.	H	α-helix	trans	-58	-44.8	179.4	-26.2	35	0	0	0	113.6	R589 A597	R589-P593 WeakPolarHBondContact O-CD 2.94Å; P593-A597 WeakPolarHBondContact O-CB 3.33Å; P593-A597 PolarHBondContact O-N 3.31Å; P593-A597 VanDerWaalsContact O-N 3.08Å
594	D	92.7	Very high	92.4	Very high	86 Å²	86	31.4 Å²	31.4	46%	0.46	19%	0.19	S	C	.	.	H	α-helix	trans	-66	-40.6	176.3	177.5	61.1	0	0	0	111.7	V592 A597 K598	V592-D594 PolarHBondContact O-N 3.14Å; D594-A597 PolarHBondContact O-N 3.04Å; D594-K598 WeakPolarHBondContact O-CG 3.21Å; D594-K598 PolarHBondContact O-N 3.3Å; D594-K598 WeakPolarHBondContact OD1-CE 3.31Å; D594-K598 IonicContact OD1-NZ 3.83Å; D594-K598 VanDerWaalsContact OD2-CE 3.26Å; D594-K598 WeakPolarHBondContact OD2-CE 3.39Å; D594-K598 IonicContact OD2-NZ 2.71Å; D594-K598 PolarHBondContact OD2-NZ 3.44Å
595	A	93.9	Very high	92.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-43	179.7	0	0	0	0	0	112.5	A591 V592 K598 C599 F748 A749 V752	A591-A595 VanDerWaalsContact O-CB 3.28Å; A591-A595 WeakPolarHBondContact O-CB 3.5Å; A591-A595 PolarHBondContact O-N 3.27Å; V592-A595 PolarHBondContact O-N 3.37Å; A595-K598 PolarHBondContact O-N 3.27Å; A595-C599 PolarHBondContact O-N 3.45Å; A595-C599 PolarHBondContact O-SG 3.17Å; A595-C599 VanDerWaalsContact O-SG 3.37Å; A595-F748 HydrophobicContact CB-CD1 3.71Å; A595-F748 HydrophobicContact CB-CE1 4.41Å; A595-A749 HydrophobicContact CB-CB 4.38Å; A595-V752 HydrophobicContact CB-CG2 3.8Å
596	V	94.9	Very high	92.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-43.7	174.4	172.3	0	0	0	0	110.5	V592 K598 C599 R600 V606 V624 I626 F748	V592-V596 HydrophobicContact CG1-CG2 4.12Å; V592-V596 WeakPolarHBondContact O-CG2 3.47Å; V592-V596 PolarHBondContact O-N 3.21Å; V596-K598 VanDerWaalsContact C-N 3.32Å; V596-K598 PolarHBondContact O-N 3.32Å; V596-C599 PolarHBondContact O-N 3.23Å; V596-R600 WeakPolarHBondContact O-CG 3.31Å; V596-R600 PolarHBondContact O-N 3.3Å; V596-V606 HydrophobicContact CG1-CG2 4.43Å; V596-V624 WeakPolarHBondContact CB-O 3.23Å; V596-V624 WeakPolarHBondContact CG1-O 3.42Å; V596-I626 HydrophobicContact CG1-CG1 4.11Å; V596-F748 HydrophobicContact CG2-CE1 4.14Å
597	A	93.9	Very high	93.1	Very high	48 Å²	48	32.4 Å²	32.4	40%	0.397	19%	0.194	S	C	.	.	H	α-helix	trans	-60.4	-39.4	176.1	0	0	0	0	0	112.6	P593 D594 R600 S601	P593-A597 WeakPolarHBondContact O-CB 3.33Å; P593-A597 PolarHBondContact O-N 3.31Å; P593-A597 VanDerWaalsContact O-N 3.08Å; D594-A597 PolarHBondContact O-N 3.04Å; A597-R600 PolarHBondContact O-N 3.12Å; A597-S601 WeakPolarHBondContact O-CB 3.45Å; A597-S601 PolarHBondContact O-N 2.94Å; A597-S601 PolarHBondContact O-OG 2.9Å
598	K	94.2	Very high	93.4	Very high	95 Å²	95	32.4 Å²	32.4	41%	0.413	19%	0.194	S	C	.	.	H	α-helix	trans	-67.7	-42	174.8	-75.6	176.6	-178.3	158.7	0	112.6	D594 A595 V596 R600 S601 A602 V752	D594-K598 WeakPolarHBondContact O-CG 3.21Å; D594-K598 PolarHBondContact O-N 3.3Å; D594-K598 WeakPolarHBondContact OD1-CE 3.31Å; D594-K598 IonicContact OD1-NZ 3.83Å; D594-K598 VanDerWaalsContact OD2-CE 3.26Å; D594-K598 WeakPolarHBondContact OD2-CE 3.39Å; D594-K598 IonicContact OD2-NZ 2.71Å; D594-K598 PolarHBondContact OD2-NZ 3.44Å; A595-K598 PolarHBondContact O-N 3.27Å; V596-K598 VanDerWaalsContact C-N 3.32Å; V596-K598 PolarHBondContact O-N 3.32Å; K598-R600 VanDerWaalsContact C-N 3.34Å; K598-R600 PolarHBondContact O-N 3.04Å; K598-S601 WeakPolarHBondContact O-CB 3.43Å; K598-S601 PolarHBondContact O-N 3.32Å; K598-A602 WeakPolarHBondContact O-CB 3.33Å; K598-A602 PolarHBondContact O-N 2.8Å; K598-V752 HydrophobicContact CB-CG1 3.89Å; K598-V752 HydrophobicContact CB-CG2 4.11Å; K598-V752 HydrophobicContact CD-CG1 3.93Å
599	C	95	Very high	93.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-45.7	173.6	-71.2	0	0	0	0	111.3	I367 A595 V596 S601 A602 G603 I604 V606	I367-C599 HydrophobicContact CD1-CB 4.32Å; A595-C599 PolarHBondContact O-N 3.45Å; A595-C599 PolarHBondContact O-SG 3.17Å; A595-C599 VanDerWaalsContact O-SG 3.37Å; V596-C599 PolarHBondContact O-N 3.23Å; C599-S601 PolarHBondContact O-N 3.02Å; C599-A602 CarbonylContact O-C 3.59Å; C599-A602 WeakPolarHBondContact O-CB 3.46Å; C599-A602 PolarHBondContact O-N 2.99Å; C599-A602 VanDerWaalsContact O-N 3.15Å; C599-G603 PolarHBondContact O-N 3.44Å; C599-I604 HydrophobicContact CB-CB 4.29Å; C599-I604 VanDerWaalsContact O-CB 3.32Å; C599-I604 WeakPolarHBondContact O-CB 3.47Å; C599-I604 PolarHBondContact O-N 2.76Å; C599-V606 HydrophobicContact CB-CG2 4.15Å
600	R	94	Very high	93.7	Very high	92 Å²	92	30.3 Å²	30.3	35%	0.347	18%	0.183	S	C	.	.	H	α-helix	trans	-64.5	-39.4	176.1	-68.3	-173.4	72.5	-177.7	3.4	112.4	V596 A597 K598 A602 G603 V606 G625 S628 E680	V596-R600 WeakPolarHBondContact O-CG 3.31Å; V596-R600 PolarHBondContact O-N 3.3Å; A597-R600 PolarHBondContact O-N 3.12Å; K598-R600 VanDerWaalsContact C-N 3.34Å; K598-R600 PolarHBondContact O-N 3.04Å; R600-A602 PolarHBondContact O-N 3.02Å; R600-G603 PolarHBondContact O-N 3.32Å; R600-V606 HydrophobicContact CG-CG2 4.32Å; R600-G625 WeakPolarHBondContact CD-O 3.45Å; R600-G625 PolarHBondContact NH1-O 3.3Å; R600-S628 PolarHBondContact NH1-OG 2.96Å; R600-E680 IonicContact CZ-OE1 3.23Å; R600-E680 IonicContact NH1-OE1 2.68Å; R600-E680 PolarHBondContact NH1-OE1 3.42Å; R600-E680 IonicContact NH2-OE1 3.88Å; R600-E680 PolarHBondContact NH2-OE1 2.8Å
601	S	93.3	Very high	93.7	Very high	79 Å²	79	27.7 Å²	27.7	55%	0.552	16%	0.162	S	C	*	.	H	α-helix	trans	-61.8	-30.7	174.6	-59.8	0	0	0	0	112.4	A597 K598 C599 G603	A597-S601 WeakPolarHBondContact O-CB 3.45Å; A597-S601 PolarHBondContact O-N 2.94Å; A597-S601 PolarHBondContact O-OG 2.9Å; K598-S601 WeakPolarHBondContact O-CB 3.43Å; K598-S601 PolarHBondContact O-N 3.32Å; C599-S601 PolarHBondContact O-N 3.02Å; S601-G603 PolarHBondContact O-N 2.58Å
602	A	94.2	Very high	93.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	6.6	173.7	0	0	0	0	0	114	K598 C599 R600 I604 R759 M825 R827 P829	K598-A602 WeakPolarHBondContact O-CB 3.33Å; K598-A602 PolarHBondContact O-N 2.8Å; C599-A602 CarbonylContact O-C 3.59Å; C599-A602 WeakPolarHBondContact O-CB 3.46Å; C599-A602 PolarHBondContact O-N 2.99Å; C599-A602 VanDerWaalsContact O-N 3.15Å; R600-A602 PolarHBondContact O-N 3.02Å; A602-I604 HydrophobicContact CB-CG1 4.43Å; A602-R759 PolarHBondContact O-NH2 2.96Å; A602-M825 WeakPolarHBondContact CA-O 3.36Å; A602-M825 HydrophobicContact CB-CE 3.93Å; A602-M825 WeakPolarHBondContact CB-O 3.11Å; A602-M825 PolarHBondContact N-O 2.96Å; A602-R827 CarbonylContact C-O 3.52Å; A602-P829 WeakPolarHBondContact O-CD 3.45Å
603	G	94.3	Very high	93	Very high	25 Å²	25	31.8 Å²	31.8	26%	0.258	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	15.3	179.6	0	0	0	0	0	115	C599 R600 S601	C599-G603 PolarHBondContact O-N 3.44Å; R600-G603 PolarHBondContact O-N 3.32Å; S601-G603 PolarHBondContact O-N 2.58Å
604	I	96.3	Very high	92.9	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	17%	0.169	C	C	.	.			trans	-87.5	126.7	179.5	-56.2	177.7	0	0	0	109.4	T364 S365 I367 C599 A602 V755 P829	T364-I604 HydrophobicContact CG2-CG2 4.43Å; S365-I604 WeakPolarHBondContact O-CA 3.36Å; I367-I604 HydrophobicContact CB-CG2 4.43Å; I367-I604 HydrophobicContact CD1-CG2 3.73Å; I367-I604 HydrophobicContact CG1-CG2 3.71Å; C599-I604 HydrophobicContact CB-CB 4.29Å; C599-I604 VanDerWaalsContact O-CB 3.32Å; C599-I604 WeakPolarHBondContact O-CB 3.47Å; C599-I604 PolarHBondContact O-N 2.76Å; A602-I604 HydrophobicContact CB-CG1 4.43Å; I604-V755 HydrophobicContact CD1-CG1 3.88Å; I604-V755 HydrophobicContact CD1-CG2 3.84Å; I604-P829 HydrophobicContact CG1-CG 4.11Å
605	K	95.8	Very high	92.6	Very high	46 Å²	46	30.7 Å²	30.7	20%	0.2	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.8	172.4	-173.7	176.7	-176.3	171.2	0	109.4	S365 T366 I367 I607 L675 H678 P679	S365-K605 PolarHBondContact O-N 3.17Å; T366-K605 CarbonylContact C-O 3.49Å; T366-K605 VanDerWaalsContact CA-O 3.24Å; T366-K605 WeakPolarHBondContact CA-O 3.27Å; T366-K605 HydrophobicContact CG2-CB 4.4Å; I367-K605 PolarHBondContact N-O 3.48Å; K605-I607 HydrophobicContact CD-CD1 4.32Å; K605-I607 HydrophobicContact CD-CG1 4.44Å; K605-I607 HydrophobicContact CG-CG1 4.25Å; K605-L675 PolarHBondContact NZ-O 3.19Å; K605-H678 WeakPolarHBondContact CE-O 3.22Å; K605-H678 PolarHBondContact NZ-O 3.23Å; K605-P679 VanDerWaalsContact CE-O 3.27Å; K605-P679 WeakPolarHBondContact CE-O 3.22Å
606	V	96.4	Very high	92.3	Very high	8 Å²	8	32.1 Å²	32.1	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.8	178.3	-171.9	0	0	0	0	108.9	I367 V596 C599 R600 I626	I367-V606 WeakPolarHBondContact O-CA 3.29Å; V596-V606 HydrophobicContact CG1-CG2 4.43Å; C599-V606 HydrophobicContact CB-CG2 4.15Å; R600-V606 HydrophobicContact CG-CG2 4.32Å; V606-I626 HydrophobicContact CB-CG1 4.24Å; V606-I626 HydrophobicContact CG1-CD1 3.88Å; V606-I626 HydrophobicContact CG1-CG1 3.77Å
607	I	97.2	Very high	92.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.1	-178.7	-59.2	179.1	0	0	0	107.9	T366 I367 C368 S369 K605 V609 L675 I681 F683	T366-I607 HydrophobicContact CG2-CD1 3.75Å; T366-I607 HydrophobicContact CG2-CG1 4.16Å; I367-I607 PolarHBondContact O-N 2.7Å; C368-I607 CarbonylContact C-O 3.54Å; C368-I607 WeakPolarHBondContact CA-O 3.32Å; S369-I607 PolarHBondContact N-O 3.5Å; K605-I607 HydrophobicContact CD-CD1 4.32Å; K605-I607 HydrophobicContact CD-CG1 4.44Å; K605-I607 HydrophobicContact CG-CG1 4.25Å; I607-V609 HydrophobicContact CG2-CG2 3.95Å; I607-L675 HydrophobicContact CD1-CD2 3.93Å; I607-I681 HydrophobicContact CD1-CD1 4.37Å; I607-I681 HydrophobicContact CG1-CB 4.35Å; I607-I681 HydrophobicContact CG2-CB 4.13Å; I607-I681 HydrophobicContact CG2-CG2 4.17Å; I607-F683 HydrophobicContact CG2-CD2 3.75Å; I607-F683 HydrophobicContact CG2-CE2 3.93Å
608	M	97	Very high	92.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.3	171.1	-176	-179.4	-70.3	0	0	109.5	S369 K371 L375 T610 A617 I620 A621 I626 I681 V682 F683	S369-M608 WeakPolarHBondContact O-CA 3.34Å; K371-M608 HydrophobicContact CB-CG 4.38Å; K371-M608 HydrophobicContact CB-SD 4.11Å; K371-M608 HydrophobicContact CG-CE 4.38Å; K371-M608 HydrophobicContact CG-SD 4.23Å; L375-M608 HydrophobicContact CD1-CE 3.78Å; M608-T610 HydrophobicContact CG-CG2 4.26Å; M608-T610 HydrophobicContact SD-CG2 4.2Å; M608-A617 HydrophobicContact SD-CB 4.08Å; M608-I620 HydrophobicContact CE-CB 4.28Å; M608-I620 HydrophobicContact CE-CG2 3.91Å; M608-A621 HydrophobicContact CE-CB 3.74Å; M608-A621 HydrophobicContact SD-CB 4.28Å; M608-I626 HydrophobicContact CB-CD1 4.01Å; M608-I626 HydrophobicContact CE-CD1 4.02Å; M608-I681 PolarHBondContact N-O 3.16Å; M608-V682 HydrophobicContact CB-CB 4.44Å; M608-V682 HydrophobicContact CB-CG1 4.16Å; M608-V682 HydrophobicContact CB-CG2 4.18Å; M608-V682 HydrophobicContact CG-CG1 4.33Å; M608-V682 HydrophobicContact SD-CG1 4.02Å; M608-F683 PolarHBondContact O-N 2.95Å
609	V	95.1	Very high	91.9	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.055	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	100.7	177.3	-172.4	0	0	0	0	109	C368 S369 D370 I607 F683 T686 K691 I694	C368-V609 HydrophobicContact CB-CG2 4.17Å; S369-V609 PolarHBondContact O-N 2.85Å; D370-V609 WeakPolarHBondContact CA-O 3.4Å; I607-V609 HydrophobicContact CG2-CG2 3.95Å; V609-F683 HydrophobicContact CG1-CB 4.4Å; V609-F683 HydrophobicContact CG2-CD2 4.28Å; V609-T686 HydrophobicContact CG1-CG2 4.36Å; V609-K691 HydrophobicContact CG1-CB 4.14Å; V609-K691 HydrophobicContact CG1-CD 4.22Å; V609-K691 HydrophobicContact CG1-CG 3.7Å; V609-K691 WeakPolarHBondContact O-CE 3.34Å; V609-I694 HydrophobicContact CG1-CD1 3.65Å; V609-I694 HydrophobicContact CG2-CD1 4.38Å; V609-I694 HydrophobicContact CG2-CG2 4.07Å
610	T	91.4	Very high	91.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	16%	0.157	C	C	.	.			trans	-133.4	153.5	-171.3	-174.2	0	0	0	0	113	K371 M608 D612 A617 F683 A684 R685 T686	K371-T610 HydrophobicContact CB-CG2 4.21Å; K371-T610 WeakPolarHBondContact CB-OG1 3.44Å; M608-T610 HydrophobicContact CG-CG2 4.26Å; M608-T610 HydrophobicContact SD-CG2 4.2Å; T610-D612 VanDerWaalsContact C-N 3.28Å; T610-D612 HydrophobicContact CG2-CB 4.17Å; T610-D612 PolarHBondContact OG1-N 3.38Å; T610-A617 HydrophobicContact CG2-CB 3.67Å; T610-F683 PolarHBondContact N-O 3.31Å; T610-A684 CarbonylContact O-C 3.57Å; T610-A684 WeakPolarHBondContact O-CA 3.39Å; T610-R685 PolarHBondContact O-N 3.09Å; T610-T686 VanDerWaalsContact C-OG1 3.24Å; T610-T686 PolarHBondContact O-N 3.15Å; T610-T686 PolarHBondContact O-OG1 3.35Å
611	G	85.2	Confident	91.7	Very high	5 Å²	5	24.2 Å²	24.2	5%	0.052	14%	0.141	C	C	.	.	S	Bend	trans	-81.6	-3.8	169.2	0	0	0	0	0	113.8	R685	G611-R685 WeakPolarHBondContact O-CD 3.29Å; G611-R685 PolarHBondContact O-NH1 2.83Å; G611-R685 VanDerWaalsContact O-NH1 3.15Å
612	D	83.9	Confident	91.7	Very high	21 Å²	21	24.1 Å²	24.1	11%	0.112	13%	0.13	C	C	.	.	S	Bend	trans	-77.6	164.2	-177.1	-163.6	12	0	0	0	112.7	K371 T610 T616 R685	K371-D612 HydrophobicContact CD-CB 4.23Å; K371-D612 VanDerWaalsContact CE-OD2 3.26Å; K371-D612 WeakPolarHBondContact CE-OD2 3.42Å; K371-D612 IonicContact NZ-OD2 3.23Å; K371-D612 PolarHBondContact NZ-OD2 3.26Å; T610-D612 VanDerWaalsContact C-N 3.28Å; T610-D612 HydrophobicContact CG2-CB 4.17Å; T610-D612 PolarHBondContact OG1-N 3.38Å; D612-T616 WeakPolarHBondContact OD2-CB 3.42Å; D612-T616 WeakPolarHBondContact OD2-CG2 3.35Å; D612-R685 PolarHBondContact O-N 3.06Å
613	H	83.4	Confident	91.5	Very high	97 Å²	97	26.4 Å²	26.4	45%	0.449	15%	0.154	S	C	.	.			trans	-62.3	141.5	-179.6	-164.7	-91.4	0	0	0	111.6	I615 T616 A617	H613-I615 VanDerWaalsContact C-N 3.27Å; H613-I615 PolarHBondContact O-N 3.17Å; H613-I615 VanDerWaalsContact O-N 3.13Å; H613-T616 PolarHBondContact O-N 2.92Å; H613-T616 VanDerWaalsContact O-N 3.14Å; H613-A617 PolarHBondContact O-N 3.43Å
614	P	88.4	Confident	91.4	Very high	27 Å²	27	25.3 Å²	25.3	18%	0.175	14%	0.142	C	C	.	.	H	α-helix	trans	-54.8	-36.7	-175.3	-28.5	33	0	0	0	115.4	K618 V657 H659 A684	P614-K618 WeakPolarHBondContact O-CB 3.46Å; P614-K618 PolarHBondContact O-N 3Å; P614-V657 HydrophobicContact CB-CG1 4.05Å; P614-H659 VanDerWaalsContact CG-CD2 3.48Å; P614-H659 WeakPolarHBondContact CG-CD2 3.46Å; P614-A684 HydrophobicContact CB-CB 4.09Å; P614-A684 HydrophobicContact CG-CB 3.95Å
615	I	87.7	Confident	91.3	Very high	88 Å²	88	26.4 Å²	26.4	45%	0.451	16%	0.155	S	C	.	.	H	α-helix	trans	-63.5	-48.5	-178.9	-58.7	174.5	0	0	0	110.1	H613 K618 A619	H613-I615 VanDerWaalsContact C-N 3.27Å; H613-I615 PolarHBondContact O-N 3.17Å; H613-I615 VanDerWaalsContact O-N 3.13Å; I615-K618 PolarHBondContact O-N 3.01Å; I615-A619 WeakPolarHBondContact O-CB 3.23Å; I615-A619 PolarHBondContact O-N 3.42Å
616	T	87	Confident	91.3	Very high	29 Å²	29	24.3 Å²	24.3	18%	0.178	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-43.3	178.9	-51.7	0	0	0	0	110.9	G542 D612 H613 K618 A619 I620	G542-T616 PolarHBondContact O-OG1 3.35Å; D612-T616 WeakPolarHBondContact OD2-CB 3.42Å; D612-T616 WeakPolarHBondContact OD2-CG2 3.35Å; H613-T616 PolarHBondContact O-N 2.92Å; H613-T616 VanDerWaalsContact O-N 3.14Å; T616-K618 PolarHBondContact O-N 3.09Å; T616-A619 PolarHBondContact O-N 3.33Å; T616-I620 HydrophobicContact CG2-CG1 4.4Å; T616-I620 WeakPolarHBondContact O-CG1 3.35Å; T616-I620 PolarHBondContact O-N 2.85Å
617	A	90.9	Very high	91.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-47	175.5	0	0	0	0	0	111.9	M608 T610 H613 A619 I620 A621 V682 A684	M608-A617 HydrophobicContact SD-CB 4.08Å; T610-A617 HydrophobicContact CG2-CB 3.67Å; H613-A617 PolarHBondContact O-N 3.43Å; A617-A619 PolarHBondContact O-N 2.8Å; A617-I620 PolarHBondContact O-N 3.4Å; A617-A621 WeakPolarHBondContact O-CB 3.26Å; A617-A621 PolarHBondContact O-N 3.34Å; A617-V682 HydrophobicContact CB-CG1 3.78Å; A617-A684 HydrophobicContact CB-CB 3.91Å
618	K	92.5	Very high	91	Very high	40 Å²	40	25.8 Å²	25.8	17%	0.174	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-42	176.7	-176.4	176.9	178.9	172.5	0	111.9	P614 I615 T616 A621 K622 I627 T633 D636 V657	P614-K618 WeakPolarHBondContact O-CB 3.46Å; P614-K618 PolarHBondContact O-N 3Å; I615-K618 PolarHBondContact O-N 3.01Å; T616-K618 PolarHBondContact O-N 3.09Å; K618-A621 PolarHBondContact O-N 2.86Å; K618-K622 WeakPolarHBondContact O-CG 3.49Å; K618-K622 PolarHBondContact O-N 2.94Å; K618-I627 HydrophobicContact CG-CD1 4.26Å; K618-T633 PolarHBondContact NZ-OG1 3.15Å; K618-D636 IonicContact NZ-OD1 3.13Å; K618-D636 PolarHBondContact NZ-OD1 2.69Å; K618-D636 IonicContact NZ-OD2 2.89Å; K618-D636 PolarHBondContact NZ-OD2 2.75Å; K618-V657 HydrophobicContact CB-CG2 4.2Å; K618-V657 HydrophobicContact CD-CG2 4.1Å; K618-V657 HydrophobicContact CG-CG2 4.13Å
619	A	90.1	Very high	90.4	Very high	23 Å²	23	35 Å²	35	19%	0.19	20%	0.2	C	C	.	.	H	α-helix	trans	-65.9	-46.8	178.8	0	0	0	0	0	112.3	M541 I615 T616 A617 A621 K622 G623	M541-A619 VanDerWaalsContact C-CB 3.49Å; M541-A619 WeakPolarHBondContact O-CB 3.41Å; I615-A619 WeakPolarHBondContact O-CB 3.23Å; I615-A619 PolarHBondContact O-N 3.42Å; T616-A619 PolarHBondContact O-N 3.33Å; A617-A619 PolarHBondContact O-N 2.8Å; A619-A621 VanDerWaalsContact C-N 3.34Å; A619-A621 PolarHBondContact O-N 2.97Å; A619-K622 PolarHBondContact O-N 3.28Å; A619-G623 PolarHBondContact O-N 3.47Å
620	I	92.2	Very high	89.9	Confident	6 Å²	6	37.9 Å²	37.9	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-41.4	175.4	-63.3	-62.7	0	0	0	110.6	K371 T376 I585 D586 P588 M608 T616 A617 K622 G623 V624	K371-I620 HydrophobicContact CD-CB 4.45Å; K371-I620 HydrophobicContact CD-CG1 4.24Å; K371-I620 HydrophobicContact CG-CB 4.38Å; K371-I620 HydrophobicContact CG-CG2 3.98Å; T376-I620 HydrophobicContact CG2-CD1 4.2Å; T376-I620 HydrophobicContact CG2-CG1 4.37Å; T376-I620 HydrophobicContact CG2-CG2 3.88Å; I585-I620 HydrophobicContact CD1-CD1 3.72Å; I585-I620 HydrophobicContact CD1-CG1 4.39Å; I585-I620 HydrophobicContact CG1-CD1 4.22Å; D586-I620 WeakPolarHBondContact O-CD1 3.17Å; P588-I620 HydrophobicContact CG-CD1 4.4Å; M608-I620 HydrophobicContact CE-CB 4.28Å; M608-I620 HydrophobicContact CE-CG2 3.91Å; T616-I620 HydrophobicContact CG2-CG1 4.4Å; T616-I620 WeakPolarHBondContact O-CG1 3.35Å; T616-I620 PolarHBondContact O-N 2.85Å; A617-I620 PolarHBondContact O-N 3.4Å; I620-K622 VanDerWaalsContact C-N 3.28Å; I620-K622 PolarHBondContact O-N 2.89Å; I620-G623 WeakPolarHBondContact O-CA 3.33Å; I620-G623 PolarHBondContact O-N 3.49Å; I620-V624 HydrophobicContact CG2-CG1 4.23Å; I620-V624 WeakPolarHBondContact O-CG2 3.15Å; I620-V624 PolarHBondContact O-N 2.97Å
621	A	94.3	Very high	89.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-37.5	178	0	0	0	0	0	112.5	M608 A617 K618 A619 G625 I626 I627 V682	M608-A621 HydrophobicContact CE-CB 3.74Å; M608-A621 HydrophobicContact SD-CB 4.28Å; A617-A621 WeakPolarHBondContact O-CB 3.26Å; A617-A621 PolarHBondContact O-N 3.34Å; K618-A621 PolarHBondContact O-N 2.86Å; A619-A621 VanDerWaalsContact C-N 3.34Å; A619-A621 PolarHBondContact O-N 2.97Å; A621-G625 PolarHBondContact O-N 3.18Å; A621-I626 HydrophobicContact CB-CB 4.19Å; A621-I626 HydrophobicContact CB-CG2 4.34Å; A621-I626 PolarHBondContact O-N 3.5Å; A621-I627 HydrophobicContact CB-CD1 4Å; A621-I627 HydrophobicContact CB-CG1 4.02Å; A621-I627 PolarHBondContact O-N 2.87Å; A621-V682 HydrophobicContact CB-CG2 3.47Å; A621-V682 VanDerWaalsContact CB-CG2 3.47Å
622	K	92.4	Very high	90	Very high	77 Å²	77	42.4 Å²	42.4	34%	0.335	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-46.1	170.2	-73.1	-174.7	177.1	-169.5	0	111.7	K618 A619 I620 V624 G625 I627	K618-K622 WeakPolarHBondContact O-CG 3.49Å; K618-K622 PolarHBondContact O-N 2.94Å; A619-K622 PolarHBondContact O-N 3.28Å; I620-K622 VanDerWaalsContact C-N 3.28Å; I620-K622 PolarHBondContact O-N 2.89Å; K622-V624 VanDerWaalsContact C-N 3.29Å; K622-V624 PolarHBondContact O-N 3.25Å; K622-G625 PolarHBondContact O-N 3.48Å; K622-I627 HydrophobicContact CG-CB 3.86Å; K622-I627 HydrophobicContact CG-CG2 3.82Å
623	G	89.6	Confident	90.4	Very high	49 Å²	49	41.4 Å²	41.4	51%	0.505	25%	0.246	S	C	.	.	H	α-helix	trans	-62.2	-29.9	-179.5	0	0	0	0	0	114.9	A619 I620	A619-G623 PolarHBondContact O-N 3.47Å; I620-G623 WeakPolarHBondContact O-CA 3.33Å; I620-G623 PolarHBondContact O-N 3.49Å
624	V	93.5	Very high	90.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-95.2	-7.2	177.3	-56.3	0	0	0	0	114.2	P588 V592 V596 I620 K622 I626	P588-V624 HydrophobicContact CB-CG1 3.76Å; P588-V624 HydrophobicContact CG-CG1 3.78Å; V592-V624 HydrophobicContact CG1-CB 3.89Å; V592-V624 HydrophobicContact CG1-CG1 3.62Å; V596-V624 WeakPolarHBondContact CB-O 3.23Å; V596-V624 WeakPolarHBondContact CG1-O 3.42Å; I620-V624 HydrophobicContact CG2-CG1 4.23Å; I620-V624 WeakPolarHBondContact O-CG2 3.15Å; I620-V624 PolarHBondContact O-N 2.97Å; K622-V624 VanDerWaalsContact C-N 3.29Å; K622-V624 PolarHBondContact O-N 3.25Å; V624-I626 HydrophobicContact CG2-CB 4.27Å; V624-I626 HydrophobicContact CG2-CD1 3.75Å; V624-I626 HydrophobicContact CG2-CG1 3.78Å
625	G	93.7	Very high	90.6	Very high	27 Å²	27	40.3 Å²	40.3	28%	0.278	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	18.7	-180	0	0	0	0	0	115.8	R600 A621 K622	R600-G625 WeakPolarHBondContact CD-O 3.45Å; R600-G625 PolarHBondContact NH1-O 3.3Å; A621-G625 PolarHBondContact O-N 3.18Å; K622-G625 PolarHBondContact O-N 3.48Å
626	I	95.3	Very high	90.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	23%	0.229	C	C	.	.	S	Bend	trans	-70.8	-46.5	167.5	-72.2	170.1	0	0	0	109.5	L375 V596 V606 M608 A621 V624 E680 V682	L375-I626 HydrophobicContact CD1-CD1 3.93Å; V596-I626 HydrophobicContact CG1-CG1 4.11Å; V606-I626 HydrophobicContact CB-CG1 4.24Å; V606-I626 HydrophobicContact CG1-CD1 3.88Å; V606-I626 HydrophobicContact CG1-CG1 3.77Å; M608-I626 HydrophobicContact CB-CD1 4.01Å; M608-I626 HydrophobicContact CE-CD1 4.02Å; A621-I626 HydrophobicContact CB-CB 4.19Å; A621-I626 HydrophobicContact CB-CG2 4.34Å; A621-I626 PolarHBondContact O-N 3.5Å; V624-I626 HydrophobicContact CG2-CB 4.27Å; V624-I626 HydrophobicContact CG2-CD1 3.75Å; V624-I626 HydrophobicContact CG2-CG1 3.78Å; I626-E680 WeakPolarHBondContact O-CG 3.3Å; I626-V682 HydrophobicContact CG2-CG2 4.43Å
627	I	94.8	Very high	90.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-98.1	123.8	167.1	-62.6	176.7	0	0	0	107.5	K618 A621 K622 A655 V657 E680 V682	K618-I627 HydrophobicContact CG-CD1 4.26Å; A621-I627 HydrophobicContact CB-CD1 4Å; A621-I627 HydrophobicContact CB-CG1 4.02Å; A621-I627 PolarHBondContact O-N 2.87Å; K622-I627 HydrophobicContact CG-CB 3.86Å; K622-I627 HydrophobicContact CG-CG2 3.82Å; I627-A655 HydrophobicContact CD1-CB 4.47Å; I627-A655 HydrophobicContact CG1-CB 4.31Å; I627-A655 HydrophobicContact CG2-CB 4.11Å; I627-V657 HydrophobicContact CD1-CG2 4.45Å; I627-E680 WeakPolarHBondContact CA-OE2 3.34Å; I627-V682 HydrophobicContact CD1-CG2 3.75Å; I627-V682 HydrophobicContact CG1-CG2 4.13Å
628	S	92.7	Very high	90.7	Very high	39 Å²	39	37.6 Å²	37.6	27%	0.273	23%	0.226	S	C	.	.			trans	-71.7	149.6	178.6	-53.5	0	0	0	0	110.9	R600 G630 S631 E680	R600-S628 PolarHBondContact NH1-OG 2.96Å; S628-G630 PolarHBondContact O-N 3.37Å; S628-S631 WeakPolarHBondContact O-CB 3.5Å; S628-S631 PolarHBondContact O-N 3.18Å; S628-E680 WeakPolarHBondContact CB-OE1 3.43Å; S628-E680 PolarHBondContact N-OE1 2.92Å; S628-E680 PolarHBondContact N-OE2 3.3Å; S628-E680 PolarHBondContact OG-OE1 3.23Å
629	E	85	Confident	90.4	Very high	194 Å²	194	39.6 Å²	39.6	91%	0.907	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.7	-175.9	-70.4	-173.6	164.5	0	0	114.4
630	G	83.9	Confident	90.3	Very high	69 Å²	69	44.5 Å²	44.5	71%	0.711	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-8	177.4	0	0	0	0	0	115.3	S628	S628-G630 PolarHBondContact O-N 3.37Å
631	S	89.8	Confident	90.1	Very high	16 Å²	16	49.4 Å²	49.4	11%	0.112	29%	0.289	C	S	.	.			trans	-75.2	131.6	-178.9	-67.7	0	0	0	0	110.7	S628 E680	S628-S631 WeakPolarHBondContact O-CB 3.5Å; S628-S631 PolarHBondContact O-N 3.18Å; S631-E680 WeakPolarHBondContact CB-OE2 3.01Å; S631-E680 VanDerWaalsContact OG-CD 3.32Å; S631-E680 PolarHBondContact OG-OE1 2.92Å; S631-E680 PolarHBondContact OG-OE2 3.34Å
632	K	89.5	Confident	89.8	Confident	85 Å²	85	52.7 Å²	52.7	37%	0.37	32%	0.323	S	S	.	.			trans	-107.2	141.2	179.4	-62.4	179.4	-177.7	176.8	0	110.4	D636 I637 E640 A655	K632-D636 HydrophobicContact CB-CB 4.08Å; K632-D636 HydrophobicContact CG-CB 4.48Å; K632-I637 HydrophobicContact CB-CD1 4.37Å; K632-I637 HydrophobicContact CB-CG1 3.86Å; K632-I637 HydrophobicContact CD-CG1 4.32Å; K632-E640 WeakPolarHBondContact CD-OE2 3.19Å; K632-E640 VanDerWaalsContact CE-OE2 3.3Å; K632-E640 WeakPolarHBondContact CE-OE2 3.38Å; K632-E640 IonicContact NZ-OE1 3.72Å; K632-E640 PolarHBondContact NZ-OE1 3.43Å; K632-E640 IonicContact NZ-OE2 2.69Å; K632-E640 PolarHBondContact NZ-OE2 2.92Å; K632-A655 PolarHBondContact O-N 3.34Å
633	T	90.8	Very high	89.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	32%	0.32	C	S	.	.			trans	-85.9	166.4	167.8	58.4	0	0	0	0	110.8	K618 E635 D636 I637 A655 V657	K618-T633 PolarHBondContact NZ-OG1 3.15Å; T633-E635 VanDerWaalsContact CB-OE2 3.23Å; T633-E635 WeakPolarHBondContact CB-OE2 3.23Å; T633-E635 PolarHBondContact O-N 3.35Å; T633-E635 PolarHBondContact OG1-OE2 3.21Å; T633-D636 WeakPolarHBondContact CB-OD2 3.46Å; T633-D636 PolarHBondContact N-OD2 3.02Å; T633-D636 PolarHBondContact O-N 3.45Å; T633-D636 VanDerWaalsContact O-N 3.09Å; T633-D636 PolarHBondContact OG1-N 3.17Å; T633-D636 PolarHBondContact OG1-OD2 3.37Å; T633-I637 WeakPolarHBondContact O-CG1 3.4Å; T633-I637 PolarHBondContact O-N 2.94Å; T633-A655 WeakPolarHBondContact CA-O 3.47Å; T633-A655 HydrophobicContact CG2-CB 3.97Å; T633-V657 HydrophobicContact CG2-CG2 4.06Å
634	V	89.2	Confident	89.7	Confident	19 Å²	19	52.7 Å²	52.7	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-38.5	176.8	-173.6	0	0	0	0	110	I637 A638 V645 V648 A653	V634-I637 PolarHBondContact O-N 3.4Å; V634-A638 WeakPolarHBondContact O-CB 3.26Å; V634-A638 PolarHBondContact O-N 3.13Å; V634-V645 HydrophobicContact CB-CG1 4.39Å; V634-V645 HydrophobicContact CG1-CG1 3.66Å; V634-V648 HydrophobicContact CG1-CB 3.65Å; V634-V648 HydrophobicContact CG1-CG1 3.7Å; V634-V648 HydrophobicContact CG1-CG2 4.42Å; V634-A653 HydrophobicContact CB-CB 4.49Å; V634-A653 HydrophobicContact CG2-CB 3.6Å
635	E	87.8	Confident	89.4	Confident	82 Å²	82	56 Å²	56	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-67.6	-37.5	176.5	-56.9	77.4	-169.7	0	0	112.4	T633 A638 A639	T633-E635 VanDerWaalsContact CB-OE2 3.23Å; T633-E635 WeakPolarHBondContact CB-OE2 3.23Å; T633-E635 PolarHBondContact O-N 3.35Å; T633-E635 PolarHBondContact OG1-OE2 3.21Å; E635-A638 PolarHBondContact O-N 2.99Å; E635-A639 VanDerWaalsContact O-CB 3.31Å; E635-A639 WeakPolarHBondContact O-CB 3.43Å; E635-A639 PolarHBondContact O-N 3.18Å
636	D	88.3	Confident	89	Confident	43 Å²	43	63.8 Å²	63.8	23%	0.23	37%	0.368	C	S	.	.	H	α-helix	trans	-66.3	-41.5	176.4	-63.1	-40.3	0	0	0	110.8	K618 K632 T633 A639 E640	K618-D636 IonicContact NZ-OD1 3.13Å; K618-D636 PolarHBondContact NZ-OD1 2.69Å; K618-D636 IonicContact NZ-OD2 2.89Å; K618-D636 PolarHBondContact NZ-OD2 2.75Å; K632-D636 HydrophobicContact CB-CB 4.08Å; K632-D636 HydrophobicContact CG-CB 4.48Å; T633-D636 WeakPolarHBondContact CB-OD2 3.46Å; T633-D636 PolarHBondContact N-OD2 3.02Å; T633-D636 PolarHBondContact O-N 3.45Å; T633-D636 VanDerWaalsContact O-N 3.09Å; T633-D636 PolarHBondContact OG1-N 3.17Å; T633-D636 PolarHBondContact OG1-OD2 3.37Å; D636-A639 PolarHBondContact O-N 3.2Å; D636-E640 VanDerWaalsContact O-CB 3.32Å; D636-E640 WeakPolarHBondContact O-CB 3.27Å; D636-E640 PolarHBondContact O-N 3.33Å
637	I	89.3	Confident	88.6	Confident	12 Å²	12	70 Å²	70	6%	0.062	40%	0.397	C	S	.	.	H	α-helix	trans	-66.2	-42.3	177.9	-63.1	168.9	0	0	0	110.4	K632 T633 V634 E640 K641 V648 E652 A653	K632-I637 HydrophobicContact CB-CD1 4.37Å; K632-I637 HydrophobicContact CB-CG1 3.86Å; K632-I637 HydrophobicContact CD-CG1 4.32Å; T633-I637 WeakPolarHBondContact O-CG1 3.4Å; T633-I637 PolarHBondContact O-N 2.94Å; V634-I637 PolarHBondContact O-N 3.4Å; I637-E640 PolarHBondContact O-N 3.45Å; I637-K641 HydrophobicContact CG2-CD 3.81Å; I637-K641 HydrophobicContact CG2-CG 4.41Å; I637-K641 WeakPolarHBondContact O-CB 3.39Å; I637-K641 WeakPolarHBondContact O-CG 3.15Å; I637-K641 PolarHBondContact O-N 3.1Å; I637-V648 HydrophobicContact CB-CG1 3.95Å; I637-V648 HydrophobicContact CB-CG2 4.45Å; I637-V648 HydrophobicContact CD1-CG1 4.25Å; I637-V648 HydrophobicContact CG2-CG1 3.7Å; I637-V648 HydrophobicContact CG2-CG2 4.1Å; I637-E652 HydrophobicContact CD1-CB 4Å; I637-A653 HydrophobicContact CD1-CB 4.06Å
638	A	89.8	Confident	88.2	Confident	5 Å²	5	70.2 Å²	70.2	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-60.1	-49.1	176	0	0	0	0	0	111.4	V634 E635 E640 K641 G642 I643 V645 V648	V634-A638 WeakPolarHBondContact O-CB 3.26Å; V634-A638 PolarHBondContact O-N 3.13Å; E635-A638 PolarHBondContact O-N 2.99Å; A638-E640 PolarHBondContact O-N 3.47Å; A638-K641 PolarHBondContact O-N 3.04Å; A638-G642 WeakPolarHBondContact O-CA 3.35Å; A638-G642 PolarHBondContact O-N 3.09Å; A638-I643 WeakPolarHBondContact CB-O 3.25Å; A638-I643 PolarHBondContact O-N 3.44Å; A638-I643 VanDerWaalsContact O-N 3.1Å; A638-V645 HydrophobicContact CB-CB 4.38Å; A638-V645 HydrophobicContact CB-CG2 3.83Å; A638-V648 HydrophobicContact CB-CG2 3.82Å
639	A	86.9	Confident	88	Confident	82 Å²	82	72.3 Å²	72.3	68%	0.678	41%	0.407	S	S	*	.	H	α-helix	trans	-63.6	-38.9	179.3	0	0	0	0	0	112.7	E635 D636	E635-A639 VanDerWaalsContact O-CB 3.31Å; E635-A639 WeakPolarHBondContact O-CB 3.43Å; E635-A639 PolarHBondContact O-N 3.18Å; D636-A639 PolarHBondContact O-N 3.2Å
640	E	87.2	Confident	88	Confident	125 Å²	125	66.3 Å²	66.3	58%	0.584	38%	0.384	S	S	*	.	H	α-helix	trans	-71.3	-40	178.2	-176.4	-179	-174.9	0	0	112.8	K632 D636 I637 A638 G642	K632-E640 WeakPolarHBondContact CD-OE2 3.19Å; K632-E640 VanDerWaalsContact CE-OE2 3.3Å; K632-E640 WeakPolarHBondContact CE-OE2 3.38Å; K632-E640 IonicContact NZ-OE1 3.72Å; K632-E640 PolarHBondContact NZ-OE1 3.43Å; K632-E640 IonicContact NZ-OE2 2.69Å; K632-E640 PolarHBondContact NZ-OE2 2.92Å; D636-E640 VanDerWaalsContact O-CB 3.32Å; D636-E640 WeakPolarHBondContact O-CB 3.27Å; D636-E640 PolarHBondContact O-N 3.33Å; I637-E640 PolarHBondContact O-N 3.45Å; A638-E640 PolarHBondContact O-N 3.47Å; E640-G642 VanDerWaalsContact C-N 3.33Å
641	K	88.8	Confident	88	Confident	109 Å²	109	70 Å²	70	47%	0.474	38%	0.377	S	S	.	.	H	α-helix	trans	-79.6	-15.8	177.3	-71.6	178.4	-178	170.5	0	112.7	I637 A638 I643 E652	I637-K641 HydrophobicContact CG2-CD 3.81Å; I637-K641 HydrophobicContact CG2-CG 4.41Å; I637-K641 WeakPolarHBondContact O-CB 3.39Å; I637-K641 WeakPolarHBondContact O-CG 3.15Å; I637-K641 PolarHBondContact O-N 3.1Å; A638-K641 PolarHBondContact O-N 3.04Å; K641-I643 VanDerWaalsContact C-N 3.3Å; K641-I643 HydrophobicContact CB-CD1 3.99Å; K641-I643 HydrophobicContact CB-CG1 3.85Å; K641-I643 HydrophobicContact CB-CG2 4.29Å; K641-I643 HydrophobicContact CD-CD1 3.78Å; K641-E652 IonicContact NZ-OE2 3.32Å; K641-E652 PolarHBondContact NZ-OE2 2.72Å
642	G	88.2	Confident	87.9	Confident	69 Å²	69	74.2 Å²	74.2	71%	0.711	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	28.3	-174.1	0	0	0	0	0	113.4	A638 E640	A638-G642 WeakPolarHBondContact O-CA 3.35Å; A638-G642 PolarHBondContact O-N 3.09Å; E640-G642 VanDerWaalsContact C-N 3.33Å
643	I	90.7	Very high	87.8	Confident	52 Å²	52	70.3 Å²	70.3	27%	0.267	38%	0.378	S	S	.	.	S	Bend	trans	-112.1	158.1	-179.7	64.6	-178.7	0	0	0	110.9	A638 K641 E647 V648	A638-I643 WeakPolarHBondContact CB-O 3.25Å; A638-I643 PolarHBondContact O-N 3.44Å; A638-I643 VanDerWaalsContact O-N 3.1Å; K641-I643 VanDerWaalsContact C-N 3.3Å; K641-I643 HydrophobicContact CB-CD1 3.99Å; K641-I643 HydrophobicContact CB-CG1 3.85Å; K641-I643 HydrophobicContact CB-CG2 4.29Å; K641-I643 HydrophobicContact CD-CD1 3.78Å; I643-E647 HydrophobicContact CD1-CB 4.2Å; I643-V648 HydrophobicContact CD1-CG2 3.9Å; I643-V648 HydrophobicContact CG1-CG2 4.1Å
644	P	88.8	Confident	87.9	Confident	74 Å²	74	73.5 Å²	73.5	48%	0.481	40%	0.398	S	S	.	.			trans	-59	147.4	170.8	-21.7	33.5	0	0	0	112.2	E646 E647	P644-E646 PolarHBondContact O-N 3.3Å; P644-E647 PolarHBondContact O-N 2.9Å; P644-E647 VanDerWaalsContact O-N 3.1Å
645	V	86.3	Confident	88.1	Confident	70 Å²	70	72.6 Å²	72.6	42%	0.424	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-57.4	-34.3	-179.6	-178.4	0	0	0	0	112	V634 A638 E647 V648	V634-V645 HydrophobicContact CB-CG1 4.39Å; V634-V645 HydrophobicContact CG1-CG1 3.66Å; A638-V645 HydrophobicContact CB-CB 4.38Å; A638-V645 HydrophobicContact CB-CG2 3.83Å; V645-E647 VanDerWaalsContact C-N 3.25Å; V645-E647 PolarHBondContact O-N 3.15Å; V645-V648 WeakPolarHBondContact O-CB 3.36Å; V645-V648 PolarHBondContact O-N 3.47Å; V645-V648 VanDerWaalsContact O-N 3.15Å
646	E	86.7	Confident	88.4	Confident	191 Å²	191	69.2 Å²	69.2	89%	0.893	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-63.9	-25	179.8	-63.6	166.6	-162	0	0	113.8	P644 V648	P644-E646 PolarHBondContact O-N 3.3Å; E646-V648 VanDerWaalsContact C-N 3.35Å
647	E	86.8	Confident	88.6	Confident	133 Å²	133	68.3 Å²	68.3	62%	0.621	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-84.9	-11.6	178.7	-65.5	-175.6	-167.2	0	0	112.7	I643 P644 V645	I643-E647 HydrophobicContact CD1-CB 4.2Å; P644-E647 PolarHBondContact O-N 2.9Å; P644-E647 VanDerWaalsContact O-N 3.1Å; V645-E647 VanDerWaalsContact C-N 3.25Å; V645-E647 PolarHBondContact O-N 3.15Å
648	V	86.7	Confident	88.9	Confident	6 Å²	6	68.3 Å²	68.3	4%	0.036	37%	0.374	C	S	.	.	S	Bend	trans	-80.9	124.5	178.3	-179.3	0	0	0	0	109	V634 I637 A638 I643 V645 E646 P650	V634-V648 HydrophobicContact CG1-CB 3.65Å; V634-V648 HydrophobicContact CG1-CG1 3.7Å; V634-V648 HydrophobicContact CG1-CG2 4.42Å; I637-V648 HydrophobicContact CB-CG1 3.95Å; I637-V648 HydrophobicContact CB-CG2 4.45Å; I637-V648 HydrophobicContact CD1-CG1 4.25Å; I637-V648 HydrophobicContact CG2-CG1 3.7Å; I637-V648 HydrophobicContact CG2-CG2 4.1Å; A638-V648 HydrophobicContact CB-CG2 3.82Å; I643-V648 HydrophobicContact CD1-CG2 3.9Å; I643-V648 HydrophobicContact CG1-CG2 4.1Å; V645-V648 WeakPolarHBondContact O-CB 3.36Å; V645-V648 PolarHBondContact O-N 3.47Å; V645-V648 VanDerWaalsContact O-N 3.15Å; E646-V648 VanDerWaalsContact C-N 3.35Å; V648-P650 WeakPolarHBondContact O-CD 3.27Å
649	N	86.8	Confident	89	Confident	82 Å²	82	70.9 Å²	70.9	44%	0.439	39%	0.385	S	S	.	.			trans	-64.1	117.9	170.8	-178.6	-6.5	0	0	0	109.6	R651 E652	N649-R651 PolarHBondContact O-N 2.96Å; N649-R651 WeakPolarHBondContact OD1-CB 3.27Å; N649-R651 PolarHBondContact OD1-N 3.28Å; N649-R651 VanDerWaalsContact OD1-N 3.09Å; N649-E652 HydrophobicContact CB-CG 4.18Å; N649-E652 WeakPolarHBondContact O-CB 3.38Å; N649-E652 PolarHBondContact O-N 2.89Å
650	P	84.9	Confident	89	Confident	68 Å²	68	67.1 Å²	67.1	44%	0.442	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-57.3	-27.3	-178	-26.4	35.8	0	0	0	113.1	V648 E652 A653 H678	V648-P650 WeakPolarHBondContact O-CD 3.27Å; P650-E652 PolarHBondContact O-N 3.47Å; P650-A653 PolarHBondContact O-N 3.4Å; P650-A653 VanDerWaalsContact O-N 3.08Å; P650-H678 PolarHBondContact O-CE1 2.94Å; P650-H678 VanDerWaalsContact O-CE1 3.28Å
651	R	85.1	Confident	89	Confident	147 Å²	147	64 Å²	64	56%	0.555	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-68.9	-16.8	178.8	-56.2	-62.8	176.4	137.2	-7.5	113.9	N649 A653 D673 N677	N649-R651 PolarHBondContact O-N 2.96Å; N649-R651 WeakPolarHBondContact OD1-CB 3.27Å; N649-R651 PolarHBondContact OD1-N 3.28Å; N649-R651 VanDerWaalsContact OD1-N 3.09Å; R651-A653 VanDerWaalsContact C-N 3.28Å; R651-D673 IonicContact NH2-OD1 3.45Å; R651-D673 PolarHBondContact NH2-OD1 3.28Å; R651-D673 IonicContact NH2-OD2 2.8Å; R651-N677 VanDerWaalsContact CZ-OD1 3.26Å; R651-N677 PolarHBondContact NH1-ND2 2.73Å; R651-N677 PolarHBondContact NH1-OD1 3.5Å; R651-N677 PolarHBondContact NH2-ND2 3.46Å
652	E	86.5	Confident	89	Confident	104 Å²	104	62.5 Å²	62.5	49%	0.486	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-73.4	-22.9	172.1	-68.2	-178.3	-168	0	0	111.9	I637 K641 N649 P650	I637-E652 HydrophobicContact CD1-CB 4Å; K641-E652 IonicContact NZ-OE2 3.32Å; K641-E652 PolarHBondContact NZ-OE2 2.72Å; N649-E652 HydrophobicContact CB-CG 4.18Å; N649-E652 WeakPolarHBondContact O-CB 3.38Å; N649-E652 PolarHBondContact O-N 2.89Å; P650-E652 PolarHBondContact O-N 3.47Å
653	A	89.2	Confident	89	Confident	3 Å²	3	59.6 Å²	59.6	3%	0.025	31%	0.312	C	S	.	.			trans	-90.8	114.9	-177.4	0	0	0	0	0	111.4	V634 I637 P650 R651 A655 H678	V634-A653 HydrophobicContact CB-CB 4.49Å; V634-A653 HydrophobicContact CG2-CB 3.6Å; I637-A653 HydrophobicContact CD1-CB 4.06Å; P650-A653 PolarHBondContact O-N 3.4Å; P650-A653 VanDerWaalsContact O-N 3.08Å; R651-A653 VanDerWaalsContact C-N 3.28Å; A653-A655 VanDerWaalsContact C-N 3.32Å; A653-H678 PolarHBondContact O-CE1 3.4Å; A653-H678 VanDerWaalsContact O-CE1 3.29Å; A653-H678 PolarHBondContact O-ND1 3.47Å
654	V	91.3	Very high	88.6	Confident	68 Å²	68	63.8 Å²	63.8	41%	0.412	32%	0.324	S	S	.	.	S	Bend	trans	-71.6	-32.2	174.5	179.9	0	0	0	0	111	P679 E680	V654-P679 HydrophobicContact CG1-CG 3.53Å; V654-P679 VanDerWaalsContact O-CD 3.23Å; V654-P679 WeakPolarHBondContact O-CD 3.16Å; V654-E680 PolarHBondContact O-N 2.9Å
655	A	93.9	Very high	88.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.6	178.7	0	0	0	0	0	111.2	I627 K632 T633 A653 E680	I627-A655 HydrophobicContact CD1-CB 4.47Å; I627-A655 HydrophobicContact CG1-CB 4.31Å; I627-A655 HydrophobicContact CG2-CB 4.11Å; K632-A655 PolarHBondContact O-N 3.34Å; T633-A655 WeakPolarHBondContact CA-O 3.47Å; T633-A655 HydrophobicContact CG2-CB 3.97Å; A653-A655 VanDerWaalsContact C-N 3.32Å; A655-E680 CarbonylContact C-O 3.57Å; A655-E680 VanDerWaalsContact CA-O 3.24Å; A655-E680 WeakPolarHBondContact CA-O 3.31Å; A655-E680 HydrophobicContact CB-CB 3.96Å
656	C	93.8	Very high	88.6	Confident	11 Å²	11	67.4 Å²	67.4	7%	0.074	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.6	169.6	67.4	0	0	0	0	111.1	H678 E680 V682	C656-H678 HydrophobicContact CB-CB 4.3Å; C656-H678 VanDerWaalsContact SG-CB 3.58Å; C656-E680 PolarHBondContact N-O 3.43Å; C656-V682 PolarHBondContact O-N 3.05Å
657	V	93.9	Very high	88.8	Confident	24 Å²	24	61.7 Å²	61.7	15%	0.145	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.3	171.8	-177.5	0	0	0	0	107.1	P614 K618 I627 T633 V682 A684	P614-V657 HydrophobicContact CB-CG1 4.05Å; K618-V657 HydrophobicContact CB-CG2 4.2Å; K618-V657 HydrophobicContact CD-CG2 4.1Å; K618-V657 HydrophobicContact CG-CG2 4.13Å; I627-V657 HydrophobicContact CD1-CG2 4.45Å; T633-V657 HydrophobicContact CG2-CG2 4.06Å; V657-V682 CarbonylContact C-O 3.56Å; V657-V682 VanDerWaalsContact CA-O 3.31Å; V657-V682 WeakPolarHBondContact CA-O 3.21Å; V657-V682 HydrophobicContact CG1-CB 4.47Å; V657-V682 HydrophobicContact CG1-CG1 4.41Å; V657-V682 HydrophobicContact CG2-CB 4.25Å; V657-A684 HydrophobicContact CG1-CB 4.49Å
658	V	94	Very high	88.8	Confident	12 Å²	12	59 Å²	59	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.4	-176.4	-178.2	0	0	0	0	108.8	L663 M666 I674 V682 F683 A684	V658-L663 HydrophobicContact CG1-CB 4.4Å; V658-M666 HydrophobicContact CG1-CE 4.02Å; V658-M666 HydrophobicContact CG1-SD 4.38Å; V658-I674 HydrophobicContact CG2-CD1 4.24Å; V658-I674 HydrophobicContact CG2-CG2 4.27Å; V658-V682 PolarHBondContact N-O 3.49Å; V658-F683 HydrophobicContact CB-CD1 3.64Å; V658-F683 HydrophobicContact CB-CE1 3.83Å; V658-F683 HydrophobicContact CG1-CD1 3.96Å; V658-F683 HydrophobicContact CG1-CE1 4.01Å; V658-F683 HydrophobicContact CG2-CD1 4.26Å; V658-F683 HydrophobicContact CG2-CE1 4Å; V658-A684 PolarHBondContact O-N 2.85Å
659	H	91.7	Very high	89	Confident	59 Å²	59	62 Å²	62	27%	0.273	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	144	176.2	-169.1	-93.7	0	0	0	110.9	P614 S661 D662 L663 A684 R685	P614-H659 VanDerWaalsContact CG-CD2 3.48Å; P614-H659 WeakPolarHBondContact CG-CD2 3.46Å; H659-S661 WeakPolarHBondContact ND1-CB 3.2Å; H659-S661 PolarHBondContact ND1-N 3.23Å; H659-S661 VanDerWaalsContact ND1-N 3.12Å; H659-S661 PolarHBondContact ND1-OG 3.38Å; H659-S661 PolarHBondContact O-N 3.06Å; H659-D662 PolarHBondContact O-N 2.92Å; H659-L663 PolarHBondContact O-N 3Å; H659-L663 VanDerWaalsContact O-N 3.09Å; H659-A684 CarbonylContact C-O 3.55Å; H659-R685 WeakPolarHBondContact NE2-CB 3.08Å
660	G	87.5	Confident	89.2	Confident	3 Å²	3	62.7 Å²	62.7	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-25.3	-179.7	0	0	0	0	0	114.7	R664 A684 Q690	G660-R664 PolarHBondContact O-N 2.93Å; G660-A684 PolarHBondContact N-O 3.32Å; G660-Q690 PolarHBondContact O-NE2 3.04Å
661	S	86.6	Confident	89.6	Confident	58 Å²	58	59.6 Å²	59.6	41%	0.406	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-41.8	171.7	58.7	0	0	0	0	112	H659 R664	H659-S661 WeakPolarHBondContact ND1-CB 3.2Å; H659-S661 PolarHBondContact ND1-N 3.23Å; H659-S661 VanDerWaalsContact ND1-N 3.12Å; H659-S661 PolarHBondContact ND1-OG 3.38Å; H659-S661 PolarHBondContact O-N 3.06Å; S661-R664 WeakPolarHBondContact O-CB 3.43Å; S661-R664 PolarHBondContact O-N 3.26Å
662	D	89.2	Confident	89.9	Confident	78 Å²	78	54.2 Å²	54.2	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-73.7	-38.9	-176.3	-47.5	-21.9	0	0	0	108.7	H659 R664 E665 M666	H659-D662 PolarHBondContact O-N 2.92Å; D662-R664 PolarHBondContact O-N 3.2Å; D662-E665 PolarHBondContact O-N 3.19Å; D662-E665 VanDerWaalsContact O-N 3.07Å; D662-M666 HydrophobicContact CB-CE 3.99Å; D662-M666 VanDerWaalsContact O-CG 3.32Å; D662-M666 WeakPolarHBondContact O-CG 3.24Å; D662-M666 PolarHBondContact O-N 3.31Å
663	L	88.4	Confident	90.2	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-31.5	175.5	-168.3	66.3	0	0	0	112.8	V658 H659 E665 M666 I671 F683 T686 Q690 I694	V658-L663 HydrophobicContact CG1-CB 4.4Å; H659-L663 PolarHBondContact O-N 3Å; H659-L663 VanDerWaalsContact O-N 3.09Å; L663-E665 VanDerWaalsContact C-N 3.29Å; L663-E665 PolarHBondContact O-N 3.41Å; L663-M666 HydrophobicContact CD1-SD 4.13Å; L663-M666 PolarHBondContact O-N 2.92Å; L663-I671 HydrophobicContact CD1-CD1 3.74Å; L663-I671 HydrophobicContact CD1-CG1 3.8Å; L663-F683 HydrophobicContact CD1-CD1 4.36Å; L663-F683 HydrophobicContact CD1-CE1 3.99Å; L663-F683 HydrophobicContact CD2-CD1 4.2Å; L663-T686 HydrophobicContact CD2-CG2 4.4Å; L663-Q690 HydrophobicContact CD2-CB 3.87Å; L663-Q690 HydrophobicContact CD2-CG 4.07Å; L663-I694 HydrophobicContact CD2-CD1 3.77Å; L663-I694 HydrophobicContact CD2-CG1 3.94Å
664	R	82.5	Confident	90.4	Very high	140 Å²	140	54 Å²	54	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-64.8	-33.5	176.5	-175.7	-175.5	172.6	153.3	-9.7	112.5	E32 G660 S661 D662	E32-R664 VanDerWaalsContact OE2-CD 3.27Å; E32-R664 WeakPolarHBondContact OE2-CD 3.21Å; E32-R664 IonicContact OE2-CZ 2.71Å; E32-R664 IonicContact OE2-NE 3.28Å; E32-R664 PolarHBondContact OE2-NE 2.92Å; E32-R664 IonicContact OE2-NH1 2.8Å; E32-R664 PolarHBondContact OE2-NH1 2.95Å; G660-R664 PolarHBondContact O-N 2.93Å; S661-R664 WeakPolarHBondContact O-CB 3.43Å; S661-R664 PolarHBondContact O-N 3.26Å; D662-R664 PolarHBondContact O-N 3.2Å
665	E	86	Confident	90.5	Very high	169 Å²	169	51.3 Å²	51.3	79%	0.79	28%	0.276	S	S	*	.	H	α-helix	trans	-89.3	-12.2	-179.4	-61.2	-175.7	177.3	0	0	112.5	D662 L663	D662-E665 PolarHBondContact O-N 3.19Å; D662-E665 VanDerWaalsContact O-N 3.07Å; L663-E665 VanDerWaalsContact C-N 3.29Å; L663-E665 PolarHBondContact O-N 3.41Å
666	M	89	Confident	90.3	Very high	50 Å²	50	55.6 Å²	55.6	25%	0.246	30%	0.302	C	S	.	.			trans	-75.8	135.8	-179.7	-73.5	174.9	-169.2	0	0	112.5	V658 D662 L663 Q670 I671 I674	V658-M666 HydrophobicContact CG1-CE 4.02Å; V658-M666 HydrophobicContact CG1-SD 4.38Å; D662-M666 HydrophobicContact CB-CE 3.99Å; D662-M666 VanDerWaalsContact O-CG 3.32Å; D662-M666 WeakPolarHBondContact O-CG 3.24Å; D662-M666 PolarHBondContact O-N 3.31Å; L663-M666 HydrophobicContact CD1-SD 4.13Å; L663-M666 PolarHBondContact O-N 2.92Å; M666-Q670 HydrophobicContact CB-CB 4.31Å; M666-Q670 HydrophobicContact CG-CB 4.39Å; M666-I671 HydrophobicContact CB-CG1 4.03Å; M666-I674 HydrophobicContact CE-CD1 3.85Å; M666-I674 HydrophobicContact SD-CD1 3.6Å
667	T	90.7	Very high	90.2	Very high	71 Å²	71	56.9 Å²	56.9	44%	0.436	31%	0.308	S	S	.	.			trans	-73.9	155.4	166.7	62.3	0	0	0	0	110.9	A669 Q670 I671	T667-A669 PolarHBondContact O-N 3.42Å; T667-A669 VanDerWaalsContact O-N 3.11Å; T667-Q670 WeakPolarHBondContact O-CB 3.45Å; T667-Q670 PolarHBondContact O-N 3.45Å; T667-Q670 WeakPolarHBondContact OG1-CG 3.49Å; T667-Q670 PolarHBondContact OG1-OE1 3.42Å; T667-I671 PolarHBondContact O-N 2.87Å
668	P	87.7	Confident	90.1	Very high	77 Å²	77	56.3 Å²	56.3	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-52.8	-35.1	176.1	-29.3	36	0	0	0	114	I671 D672	P668-I671 PolarHBondContact O-N 2.91Å; P668-D672 WeakPolarHBondContact O-CB 3.34Å; P668-D672 PolarHBondContact O-N 2.96Å
669	A	90.9	Very high	90	Very high	70 Å²	70	59.1 Å²	59.1	58%	0.579	32%	0.322	S	S	*	.	H	α-helix	trans	-68.1	-32.5	177.8	0	0	0	0	0	113.4	T667 D673	T667-A669 PolarHBondContact O-N 3.42Å; T667-A669 VanDerWaalsContact O-N 3.11Å; A669-D673 PolarHBondContact O-N 2.93Å
670	Q	91.7	Very high	90.2	Very high	96 Å²	96	56.6 Å²	56.6	45%	0.449	31%	0.31	S	S	.	.	H	α-helix	trans	-72.3	-38.6	174.9	-72.7	165.4	-54.5	0	0	111.3	M666 T667 D672 D673 I674	M666-Q670 HydrophobicContact CB-CB 4.31Å; M666-Q670 HydrophobicContact CG-CB 4.39Å; T667-Q670 WeakPolarHBondContact O-CB 3.45Å; T667-Q670 PolarHBondContact O-N 3.45Å; T667-Q670 WeakPolarHBondContact OG1-CG 3.49Å; T667-Q670 PolarHBondContact OG1-OE1 3.42Å; Q670-D672 VanDerWaalsContact C-N 3.31Å; Q670-D673 PolarHBondContact O-N 3.4Å; Q670-I674 WeakPolarHBondContact O-CG1 3.49Å; Q670-I674 PolarHBondContact O-N 2.89Å
671	I	91.6	Very high	90.6	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-45.8	173.2	-59.7	175.7	0	0	0	109.6	L663 M666 T667 P668 D673 I674 L675 I693	L663-I671 HydrophobicContact CD1-CD1 3.74Å; L663-I671 HydrophobicContact CD1-CG1 3.8Å; M666-I671 HydrophobicContact CB-CG1 4.03Å; T667-I671 PolarHBondContact O-N 2.87Å; P668-I671 PolarHBondContact O-N 2.91Å; I671-D673 VanDerWaalsContact C-N 3.32Å; I671-D673 PolarHBondContact O-N 2.88Å; I671-I674 PolarHBondContact O-N 3.11Å; I671-L675 HydrophobicContact CG2-CD1 4.05Å; I671-L675 HydrophobicContact CG2-CG 4.35Å; I671-L675 VanDerWaalsContact O-CG 3.29Å; I671-L675 WeakPolarHBondContact O-CG 3.33Å; I671-L675 PolarHBondContact O-N 2.85Å; I671-I693 HydrophobicContact CD1-CG2 3.67Å
672	D	92.6	Very high	91	Very high	33 Å²	33	53.7 Å²	53.7	18%	0.176	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-40.9	177.6	-69.8	-5.6	0	0	0	111.7	P668 Q670 L675 V676 R700 Q701	P668-D672 WeakPolarHBondContact O-CB 3.34Å; P668-D672 PolarHBondContact O-N 2.96Å; Q670-D672 VanDerWaalsContact C-N 3.31Å; D672-L675 PolarHBondContact O-N 3.35Å; D672-V676 WeakPolarHBondContact O-CG2 3.37Å; D672-V676 PolarHBondContact O-N 3.28Å; D672-R700 IonicContact OD1-CZ 3.02Å; D672-R700 IonicContact OD1-NE 2.77Å; D672-R700 PolarHBondContact OD1-NE 3.06Å; D672-R700 IonicContact OD1-NH2 3.22Å; D672-R700 PolarHBondContact OD1-NH2 2.98Å; D672-R700 IonicContact OD2-NE 2.89Å; D672-R700 PolarHBondContact OD2-NE 3.35Å; D672-R700 IonicContact OD2-NH2 3.96Å; D672-Q701 VanDerWaalsContact CB-NE2 3.3Å
673	D	92.4	Very high	91.4	Very high	81 Å²	81	50 Å²	50	43%	0.433	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-46.4	174.3	-169.1	62.2	0	0	0	111.5	R651 A669 Q670 I671 L675 V676 N677	R651-D673 IonicContact NH2-OD1 3.45Å; R651-D673 PolarHBondContact NH2-OD1 3.28Å; R651-D673 IonicContact NH2-OD2 2.8Å; A669-D673 PolarHBondContact O-N 2.93Å; Q670-D673 PolarHBondContact O-N 3.4Å; I671-D673 VanDerWaalsContact C-N 3.32Å; I671-D673 PolarHBondContact O-N 2.88Å; D673-L675 VanDerWaalsContact C-N 3.31Å; D673-L675 PolarHBondContact O-N 2.87Å; D673-V676 PolarHBondContact O-N 2.9Å; D673-N677 WeakPolarHBondContact O-CB 3.22Å; D673-N677 PolarHBondContact O-N 3.11Å; D673-N677 PolarHBondContact O-ND2 3.44Å; D673-N677 PolarHBondContact OD1-ND2 2.74Å; D673-N677 PolarHBondContact OD2-ND2 3.1Å
674	I	92.6	Very high	91.5	Very high	22 Å²	22	49.5 Å²	49.5	11%	0.113	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-45.6	176.4	-67.7	169.2	0	0	0	111	V658 M666 Q670 I671 V676 N677 H678 I681	V658-I674 HydrophobicContact CG2-CD1 4.24Å; V658-I674 HydrophobicContact CG2-CG2 4.27Å; M666-I674 HydrophobicContact CE-CD1 3.85Å; M666-I674 HydrophobicContact SD-CD1 3.6Å; Q670-I674 WeakPolarHBondContact O-CG1 3.49Å; Q670-I674 PolarHBondContact O-N 2.89Å; I671-I674 PolarHBondContact O-N 3.11Å; I674-V676 VanDerWaalsContact C-N 3.32Å; I674-V676 PolarHBondContact O-N 3.08Å; I674-N677 PolarHBondContact O-N 3.32Å; I674-H678 PolarHBondContact O-N 3.33Å; I674-H678 VanDerWaalsContact O-N 3.13Å; I674-I681 HydrophobicContact CG2-CD1 4.37Å
675	L	93.5	Very high	91.8	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-33.6	-178.9	-68.6	175.4	0	0	0	112.9	K605 I607 I671 D672 D673 I681 F683 G697	K605-L675 PolarHBondContact NZ-O 3.19Å; I607-L675 HydrophobicContact CD1-CD2 3.93Å; I671-L675 HydrophobicContact CG2-CD1 4.05Å; I671-L675 HydrophobicContact CG2-CG 4.35Å; I671-L675 VanDerWaalsContact O-CG 3.29Å; I671-L675 WeakPolarHBondContact O-CG 3.33Å; I671-L675 PolarHBondContact O-N 2.85Å; D672-L675 PolarHBondContact O-N 3.35Å; D673-L675 VanDerWaalsContact C-N 3.31Å; D673-L675 PolarHBondContact O-N 2.87Å; L675-I681 HydrophobicContact CD2-CD1 3.83Å; L675-F683 HydrophobicContact CD2-CE2 4.22Å; L675-F683 HydrophobicContact CD2-CZ 4.29Å; L675-G697 VanDerWaalsContact CD1-C 3.43Å
676	V	91.2	Very high	92	Very high	91 Å²	91	39.2 Å²	39.2	55%	0.552	22%	0.222	S	C	*	.	H	α-helix	trans	-78.2	-39.5	179	171.8	0	0	0	0	111.7	D672 D673 I674	D672-V676 WeakPolarHBondContact O-CG2 3.37Å; D672-V676 PolarHBondContact O-N 3.28Å; D673-V676 PolarHBondContact O-N 2.9Å; I674-V676 VanDerWaalsContact C-N 3.32Å; I674-V676 PolarHBondContact O-N 3.08Å
677	N	90.9	Very high	91.8	Very high	37 Å²	37	37.4 Å²	37.4	20%	0.198	22%	0.215	C	C	.	.	H	α-helix	trans	-90.7	-27.3	-166	-56.6	-37.1	0	0	0	114.3	R651 D673 I674 P679	R651-N677 VanDerWaalsContact CZ-OD1 3.26Å; R651-N677 PolarHBondContact NH1-ND2 2.73Å; R651-N677 PolarHBondContact NH1-OD1 3.5Å; R651-N677 PolarHBondContact NH2-ND2 3.46Å; D673-N677 WeakPolarHBondContact O-CB 3.22Å; D673-N677 PolarHBondContact O-N 3.11Å; D673-N677 PolarHBondContact O-ND2 3.44Å; D673-N677 PolarHBondContact OD1-ND2 2.74Å; D673-N677 PolarHBondContact OD2-ND2 3.1Å; I674-N677 PolarHBondContact O-N 3.32Å; N677-P679 WeakPolarHBondContact O-CD 3.38Å
678	H	91.7	Very high	91.6	Very high	13 Å²	13	34.3 Å²	34.3	6%	0.06	20%	0.196	C	C	.	.			trans	-106.6	111.4	180	-60.4	-72.5	0	0	0	109.6	K605 P650 A653 C656 I674 E680 I681	K605-H678 WeakPolarHBondContact CE-O 3.22Å; K605-H678 PolarHBondContact NZ-O 3.23Å; P650-H678 PolarHBondContact O-CE1 2.94Å; P650-H678 VanDerWaalsContact O-CE1 3.28Å; A653-H678 PolarHBondContact O-CE1 3.4Å; A653-H678 VanDerWaalsContact O-CE1 3.29Å; A653-H678 PolarHBondContact O-ND1 3.47Å; C656-H678 HydrophobicContact CB-CB 4.3Å; C656-H678 VanDerWaalsContact SG-CB 3.58Å; I674-H678 PolarHBondContact O-N 3.33Å; I674-H678 VanDerWaalsContact O-N 3.13Å; H678-E680 VanDerWaalsContact C-N 3.31Å; H678-I681 HydrophobicContact CB-CD1 4.31Å; H678-I681 HydrophobicContact CB-CG1 3.91Å; H678-I681 VanDerWaalsContact O-CD1 3.23Å; H678-I681 WeakPolarHBondContact O-CD1 3.3Å; H678-I681 VanDerWaalsContact O-CG1 3.24Å; H678-I681 WeakPolarHBondContact O-CG1 3.3Å
679	P	91.5	Very high	91.6	Very high	71 Å²	71	31.3 Å²	31.3	46%	0.461	18%	0.175	S	C	.	.	S	Bend	trans	-69.8	-27.4	174.4	26.4	-35.9	0	0	0	113	K605 V654 N677	K605-P679 VanDerWaalsContact CE-O 3.27Å; K605-P679 WeakPolarHBondContact CE-O 3.22Å; V654-P679 HydrophobicContact CG1-CG 3.53Å; V654-P679 VanDerWaalsContact O-CD 3.23Å; V654-P679 WeakPolarHBondContact O-CD 3.16Å; N677-P679 WeakPolarHBondContact O-CD 3.38Å
680	E	95.5	Very high	91.5	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.023	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.6	-179.8	-59.7	-177.3	172.6	0	0	109.4	R600 I626 I627 S628 S631 V654 A655 C656 H678	R600-E680 IonicContact CZ-OE1 3.23Å; R600-E680 IonicContact NH1-OE1 2.68Å; R600-E680 PolarHBondContact NH1-OE1 3.42Å; R600-E680 IonicContact NH2-OE1 3.88Å; R600-E680 PolarHBondContact NH2-OE1 2.8Å; I626-E680 WeakPolarHBondContact O-CG 3.3Å; I627-E680 WeakPolarHBondContact CA-OE2 3.34Å; S628-E680 WeakPolarHBondContact CB-OE1 3.43Å; S628-E680 PolarHBondContact N-OE1 2.92Å; S628-E680 PolarHBondContact N-OE2 3.3Å; S628-E680 PolarHBondContact OG-OE1 3.23Å; S631-E680 WeakPolarHBondContact CB-OE2 3.01Å; S631-E680 VanDerWaalsContact OG-CD 3.32Å; S631-E680 PolarHBondContact OG-OE1 2.92Å; S631-E680 PolarHBondContact OG-OE2 3.34Å; V654-E680 PolarHBondContact O-N 2.9Å; A655-E680 CarbonylContact C-O 3.57Å; A655-E680 VanDerWaalsContact CA-O 3.24Å; A655-E680 WeakPolarHBondContact CA-O 3.31Å; A655-E680 HydrophobicContact CB-CB 3.96Å; C656-E680 PolarHBondContact N-O 3.43Å; H678-E680 VanDerWaalsContact C-N 3.31Å
681	I	96	Very high	91.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.5	-170.5	-52.8	179.3	0	0	0	110.7	I607 M608 I674 L675 H678 F683	I607-I681 HydrophobicContact CD1-CD1 4.37Å; I607-I681 HydrophobicContact CG1-CB 4.35Å; I607-I681 HydrophobicContact CG2-CB 4.13Å; I607-I681 HydrophobicContact CG2-CG2 4.17Å; M608-I681 PolarHBondContact N-O 3.16Å; I674-I681 HydrophobicContact CG2-CD1 4.37Å; L675-I681 HydrophobicContact CD2-CD1 3.83Å; H678-I681 HydrophobicContact CB-CD1 4.31Å; H678-I681 HydrophobicContact CB-CG1 3.91Å; H678-I681 VanDerWaalsContact O-CD1 3.23Å; H678-I681 WeakPolarHBondContact O-CD1 3.3Å; H678-I681 VanDerWaalsContact O-CG1 3.24Å; H678-I681 WeakPolarHBondContact O-CG1 3.3Å; I681-F683 HydrophobicContact CG2-CD2 3.75Å; I681-F683 HydrophobicContact CG2-CE2 3.36Å; I681-F683 HydrophobicContact CG2-CG 4.48Å; I681-F683 HydrophobicContact CG2-CZ 3.8Å
682	V	96.5	Very high	91.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.5	170.1	178.8	0	0	0	0	109	M608 A617 A621 I626 I627 C656 V657 V658	M608-V682 HydrophobicContact CB-CB 4.44Å; M608-V682 HydrophobicContact CB-CG1 4.16Å; M608-V682 HydrophobicContact CB-CG2 4.18Å; M608-V682 HydrophobicContact CG-CG1 4.33Å; M608-V682 HydrophobicContact SD-CG1 4.02Å; A617-V682 HydrophobicContact CB-CG1 3.78Å; A621-V682 HydrophobicContact CB-CG2 3.47Å; A621-V682 VanDerWaalsContact CB-CG2 3.47Å; I626-V682 HydrophobicContact CG2-CG2 4.43Å; I627-V682 HydrophobicContact CD1-CG2 3.75Å; I627-V682 HydrophobicContact CG1-CG2 4.13Å; C656-V682 PolarHBondContact O-N 3.05Å; V657-V682 CarbonylContact C-O 3.56Å; V657-V682 VanDerWaalsContact CA-O 3.31Å; V657-V682 WeakPolarHBondContact CA-O 3.21Å; V657-V682 HydrophobicContact CG1-CB 4.47Å; V657-V682 HydrophobicContact CG1-CG1 4.41Å; V657-V682 HydrophobicContact CG2-CB 4.25Å; V658-V682 PolarHBondContact N-O 3.49Å
683	F	95.9	Very high	91.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118	167	-65.9	-81.9	0	0	0	108.9	I607 M608 V609 T610 V658 L663 L675 I681 T686 I694	I607-F683 HydrophobicContact CG2-CD2 3.75Å; I607-F683 HydrophobicContact CG2-CE2 3.93Å; M608-F683 PolarHBondContact O-N 2.95Å; V609-F683 HydrophobicContact CG1-CB 4.4Å; V609-F683 HydrophobicContact CG2-CD2 4.28Å; T610-F683 PolarHBondContact N-O 3.31Å; V658-F683 HydrophobicContact CB-CD1 3.64Å; V658-F683 HydrophobicContact CB-CE1 3.83Å; V658-F683 HydrophobicContact CG1-CD1 3.96Å; V658-F683 HydrophobicContact CG1-CE1 4.01Å; V658-F683 HydrophobicContact CG2-CD1 4.26Å; V658-F683 HydrophobicContact CG2-CE1 4Å; L663-F683 HydrophobicContact CD1-CD1 4.36Å; L663-F683 HydrophobicContact CD1-CE1 3.99Å; L663-F683 HydrophobicContact CD2-CD1 4.2Å; L675-F683 HydrophobicContact CD2-CE2 4.22Å; L675-F683 HydrophobicContact CD2-CZ 4.29Å; I681-F683 HydrophobicContact CG2-CD2 3.75Å; I681-F683 HydrophobicContact CG2-CE2 3.36Å; I681-F683 HydrophobicContact CG2-CG 4.48Å; I681-F683 HydrophobicContact CG2-CZ 3.8Å; F683-T686 HydrophobicContact CB-CG2 3.72Å; F683-I694 HydrophobicContact CB-CD1 3.71Å; F683-I694 HydrophobicContact CD1-CD1 3.85Å; F683-I694 HydrophobicContact CD1-CG1 4.28Å; F683-I694 HydrophobicContact CD2-CD1 3.75Å; F683-I694 HydrophobicContact CD2-CG1 4.17Å; F683-I694 HydrophobicContact CD2-CG2 3.91Å; F683-I694 HydrophobicContact CE1-CD1 4.4Å; F683-I694 HydrophobicContact CE1-CG1 4.34Å; F683-I694 HydrophobicContact CE2-CD1 4.29Å; F683-I694 HydrophobicContact CE2-CG1 4.19Å; F683-I694 HydrophobicContact CE2-CG2 3.71Å; F683-I694 HydrophobicContact CG-CD1 3.5Å; F683-I694 VanDerWaalsContact CG-CD1 3.5Å; F683-I694 HydrophobicContact CG-CG1 4.21Å; F683-I694 HydrophobicContact CZ-CG1 4.3Å; F683-I694 HydrophobicContact CZ-CG2 4.41Å
684	A	92.1	Very high	91.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	156.4	-176.6	0	0	0	0	0	111.1	T610 P614 A617 V657 V658 H659 G660 T686	T610-A684 CarbonylContact O-C 3.57Å; T610-A684 WeakPolarHBondContact O-CA 3.39Å; P614-A684 HydrophobicContact CB-CB 4.09Å; P614-A684 HydrophobicContact CG-CB 3.95Å; A617-A684 HydrophobicContact CB-CB 3.91Å; V657-A684 HydrophobicContact CG1-CB 4.49Å; V658-A684 PolarHBondContact O-N 2.85Å; H659-A684 CarbonylContact C-O 3.55Å; G660-A684 PolarHBondContact N-O 3.32Å; A684-T686 PolarHBondContact O-N 3.18Å
685	R	88.1	Confident	91.8	Very high	81 Å²	81	20 Å²	20	31%	0.306	11%	0.107	S	C	.	.	S	Bend	trans	52.1	37.8	-175.5	-156.2	52.9	168.3	-164.4	-0.4	114.2	E232 T610 G611 D612 H659	E232-R685 IonicContact OE1-CZ 3.29Å; E232-R685 IonicContact OE1-NE 2.78Å; E232-R685 PolarHBondContact OE1-NE 3.02Å; E232-R685 IonicContact OE1-NH2 2.78Å; E232-R685 PolarHBondContact OE1-NH2 3.01Å; E232-R685 IonicContact OE2-CZ 2.77Å; E232-R685 IonicContact OE2-NH2 3.45Å; E232-R685 PolarHBondContact OE2-NH2 3.19Å; T610-R685 PolarHBondContact O-N 3.09Å; G611-R685 WeakPolarHBondContact O-CD 3.29Å; G611-R685 PolarHBondContact O-NH1 2.83Å; G611-R685 VanDerWaalsContact O-NH1 3.15Å; D612-R685 PolarHBondContact O-N 3.06Å; H659-R685 WeakPolarHBondContact NE2-CB 3.08Å
686	T	89.4	Confident	91.8	Very high	11 Å²	11	21 Å²	21	7%	0.067	11%	0.112	C	C	.	.			trans	-82.2	144.1	-178	55.5	0	0	0	0	113.5	V609 T610 L663 F683 A684 Q690 I694	V609-T686 HydrophobicContact CG1-CG2 4.36Å; T610-T686 VanDerWaalsContact C-OG1 3.24Å; T610-T686 PolarHBondContact O-N 3.15Å; T610-T686 PolarHBondContact O-OG1 3.35Å; L663-T686 HydrophobicContact CD2-CG2 4.4Å; F683-T686 HydrophobicContact CB-CG2 3.72Å; A684-T686 PolarHBondContact O-N 3.18Å; T686-Q690 VanDerWaalsContact CA-OE1 3.28Å; T686-I694 HydrophobicContact CG2-CD1 4.09Å
687	S	86	Confident	91.9	Very high	12 Å²	12	16.6 Å²	16.6	8%	0.084	9%	0.085	C	C	.	.			trans	-83.3	159.6	169.6	68.5	0	0	0	0	111.9	E32 Q689 Q690 K691	E32-S687 PolarHBondContact OE1-OG 2.88Å; S687-Q689 PolarHBondContact O-N 3.25Å; S687-Q690 WeakPolarHBondContact O-CB 3.23Å; S687-Q690 PolarHBondContact O-N 3.38Å; S687-Q690 WeakPolarHBondContact OG-CG 3.5Å; S687-Q690 PolarHBondContact OG-N 3.32Å; S687-K691 WeakPolarHBondContact O-CG 3.43Å; S687-K691 PolarHBondContact O-N 3.47Å
688	P	86.2	Confident	92.1	Very high	7 Å²	7	15.2 Å²	15.2	5%	0.045	8%	0.078	C	C	.	.	H	α-helix	trans	-51.7	-39.6	176.1	-26.2	32.9	0	0	0	113.8	I264 K691 L692 N713	I264-P688 HydrophobicContact CD1-CB 4.26Å; I264-P688 HydrophobicContact CD1-CG 3.88Å; I264-P688 HydrophobicContact CG1-CB 4.4Å; P688-K691 WeakPolarHBondContact O-CB 3.33Å; P688-K691 PolarHBondContact O-N 2.83Å; P688-L692 PolarHBondContact O-N 3.33Å; P688-N713 HydrophobicContact CB-CB 4.33Å; P688-N713 WeakPolarHBondContact CB-O 3.16Å; P688-N713 HydrophobicContact CG-CB 3.79Å
689	Q	87	Confident	92.2	Very high	14 Å²	14	16.6 Å²	16.6	7%	0.065	9%	0.085	C	C	.	.	H	α-helix	trans	-67.6	-39.8	176.3	-66.6	85.5	-17.8	0	0	111.9	K30 L267 S687 K691 L692 I693	K30-Q689 WeakPolarHBondContact O-CB 3.37Å; L267-Q689 HydrophobicContact CD2-CG 4.07Å; S687-Q689 PolarHBondContact O-N 3.25Å; Q689-K691 VanDerWaalsContact C-N 3.32Å; Q689-K691 PolarHBondContact O-N 3.36Å; Q689-L692 VanDerWaalsContact O-CB 3.31Å; Q689-L692 WeakPolarHBondContact O-CB 3.39Å; Q689-L692 PolarHBondContact O-N 2.8Å; Q689-I693 WeakPolarHBondContact O-CG1 3.29Å; Q689-I693 PolarHBondContact O-N 2.8Å
690	Q	90.4	Very high	92.3	Very high	9 Å²	9	18.3 Å²	18.3	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-64.9	-37	175.7	-73.6	174.6	3.7	0	0	112	E32 G660 L663 T686 S687 L692 I693 I694	E32-Q690 PolarHBondContact OE1-NE2 2.86Å; G660-Q690 PolarHBondContact O-NE2 3.04Å; L663-Q690 HydrophobicContact CD2-CB 3.87Å; L663-Q690 HydrophobicContact CD2-CG 4.07Å; T686-Q690 VanDerWaalsContact CA-OE1 3.28Å; S687-Q690 WeakPolarHBondContact O-CB 3.23Å; S687-Q690 PolarHBondContact O-N 3.38Å; S687-Q690 WeakPolarHBondContact OG-CG 3.5Å; S687-Q690 PolarHBondContact OG-N 3.32Å; Q690-L692 VanDerWaalsContact C-N 3.26Å; Q690-L692 PolarHBondContact O-N 3.08Å; Q690-I693 PolarHBondContact O-N 2.85Å; Q690-I693 VanDerWaalsContact O-N 3.16Å; Q690-I694 WeakPolarHBondContact O-CD1 3.38Å; Q690-I694 VanDerWaalsContact O-CG1 3.28Å; Q690-I694 WeakPolarHBondContact O-CG1 3.41Å; Q690-I694 PolarHBondContact O-N 3.01Å
691	K	92.5	Very high	92	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.022	10%	0.102	C	C	.	.	H	α-helix	trans	-55.8	-43.8	172.4	-58.8	-162.5	165.5	179.3	0	111.1	D370 V609 S687 P688 Q689 I694 V695 N713 D714 A717	D370-K691 IonicContact OD1-NZ 3.97Å; D370-K691 PolarHBondContact OD1-NZ 3.41Å; V609-K691 HydrophobicContact CG1-CB 4.14Å; V609-K691 HydrophobicContact CG1-CD 4.22Å; V609-K691 HydrophobicContact CG1-CG 3.7Å; V609-K691 WeakPolarHBondContact O-CE 3.34Å; S687-K691 WeakPolarHBondContact O-CG 3.43Å; S687-K691 PolarHBondContact O-N 3.47Å; P688-K691 WeakPolarHBondContact O-CB 3.33Å; P688-K691 PolarHBondContact O-N 2.83Å; Q689-K691 VanDerWaalsContact C-N 3.32Å; Q689-K691 PolarHBondContact O-N 3.36Å; K691-I694 PolarHBondContact O-N 2.75Å; K691-V695 WeakPolarHBondContact O-CG2 3.49Å; K691-V695 PolarHBondContact O-N 3.23Å; K691-N713 PolarHBondContact NZ-ND2 2.96Å; K691-N713 VanDerWaalsContact NZ-ND2 3.13Å; K691-D714 WeakPolarHBondContact CD-OD1 3.4Å; K691-D714 IonicContact NZ-OD1 2.72Å; K691-D714 PolarHBondContact NZ-OD1 2.99Å; K691-A717 HydrophobicContact CB-CB 3.85Å
692	L	92.1	Very high	91.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-47.7	174.5	172.8	68.1	0	0	0	112.2	K30 L267 L271 P688 Q689 Q690 I694 V695 E696 P716 Q720	K30-L692 HydrophobicContact CD-CD2 4.39Å; K30-L692 HydrophobicContact CG-CD2 4.06Å; L267-L692 HydrophobicContact CD1-CD2 3.95Å; L267-L692 HydrophobicContact CD2-CD2 3.89Å; L267-L692 HydrophobicContact CG-CD2 4.12Å; L271-L692 HydrophobicContact CD1-CD1 3.9Å; L271-L692 HydrophobicContact CD1-CD2 4.12Å; L271-L692 HydrophobicContact CD2-CD1 4.27Å; L271-L692 HydrophobicContact CD2-CD2 4.22Å; P688-L692 PolarHBondContact O-N 3.33Å; Q689-L692 VanDerWaalsContact O-CB 3.31Å; Q689-L692 WeakPolarHBondContact O-CB 3.39Å; Q689-L692 PolarHBondContact O-N 2.8Å; Q690-L692 VanDerWaalsContact C-N 3.26Å; Q690-L692 PolarHBondContact O-N 3.08Å; L692-I694 VanDerWaalsContact C-N 3.28Å; L692-I694 PolarHBondContact O-N 3.42Å; L692-V695 PolarHBondContact O-N 3.33Å; L692-V695 VanDerWaalsContact O-N 3.15Å; L692-E696 HydrophobicContact CD1-CG 4.39Å; L692-E696 WeakPolarHBondContact O-CG 3.23Å; L692-E696 PolarHBondContact O-N 2.94Å; L692-P716 HydrophobicContact CB-CB 4.28Å; L692-P716 HydrophobicContact CD2-CB 4.48Å; L692-Q720 HydrophobicContact CD1-CB 3.19Å; L692-Q720 HydrophobicContact CD1-CG 3.41Å; L692-Q720 VanDerWaalsContact CD1-CG 3.41Å
693	I	92.2	Very high	91.6	Very high	50 Å²	50	25.6 Å²	25.6	26%	0.256	13%	0.132	S	C	.	.	H	α-helix	trans	-59.9	-38.9	-180	-66.7	167	0	0	0	111.6	I671 Q689 Q690 E696 G697	I671-I693 HydrophobicContact CD1-CG2 3.67Å; Q689-I693 WeakPolarHBondContact O-CG1 3.29Å; Q689-I693 PolarHBondContact O-N 2.8Å; Q690-I693 PolarHBondContact O-N 2.85Å; Q690-I693 VanDerWaalsContact O-N 3.16Å; I693-E696 PolarHBondContact O-N 2.77Å; I693-G697 PolarHBondContact O-N 3.28Å
694	I	94.3	Very high	91.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64	-44.2	176.8	-67.3	159.9	0	0	0	110.8	V609 L663 F683 T686 Q690 K691 L692 G697 C698	V609-I694 HydrophobicContact CG1-CD1 3.65Å; V609-I694 HydrophobicContact CG2-CD1 4.38Å; V609-I694 HydrophobicContact CG2-CG2 4.07Å; L663-I694 HydrophobicContact CD2-CD1 3.77Å; L663-I694 HydrophobicContact CD2-CG1 3.94Å; F683-I694 HydrophobicContact CB-CD1 3.71Å; F683-I694 HydrophobicContact CD1-CD1 3.85Å; F683-I694 HydrophobicContact CD1-CG1 4.28Å; F683-I694 HydrophobicContact CD2-CD1 3.75Å; F683-I694 HydrophobicContact CD2-CG1 4.17Å; F683-I694 HydrophobicContact CD2-CG2 3.91Å; F683-I694 HydrophobicContact CE1-CD1 4.4Å; F683-I694 HydrophobicContact CE1-CG1 4.34Å; F683-I694 HydrophobicContact CE2-CD1 4.29Å; F683-I694 HydrophobicContact CE2-CG1 4.19Å; F683-I694 HydrophobicContact CE2-CG2 3.71Å; F683-I694 HydrophobicContact CG-CD1 3.5Å; F683-I694 VanDerWaalsContact CG-CD1 3.5Å; F683-I694 HydrophobicContact CG-CG1 4.21Å; F683-I694 HydrophobicContact CZ-CG1 4.3Å; F683-I694 HydrophobicContact CZ-CG2 4.41Å; T686-I694 HydrophobicContact CG2-CD1 4.09Å; Q690-I694 WeakPolarHBondContact O-CD1 3.38Å; Q690-I694 VanDerWaalsContact O-CG1 3.28Å; Q690-I694 WeakPolarHBondContact O-CG1 3.41Å; Q690-I694 PolarHBondContact O-N 3.01Å; K691-I694 PolarHBondContact O-N 2.75Å; L692-I694 VanDerWaalsContact C-N 3.28Å; L692-I694 PolarHBondContact O-N 3.42Å; I694-G697 PolarHBondContact O-N 2.97Å; I694-C698 PolarHBondContact O-N 3.48Å; I694-C698 PolarHBondContact O-SG 3.16Å; I694-C698 VanDerWaalsContact O-SG 3.33Å
695	V	95	Very high	91.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-45.9	176.9	172.9	0	0	0	0	110.6	K691 L692 G697 C698 Q699 V705 V707 A717 Q720	K691-V695 WeakPolarHBondContact O-CG2 3.49Å; K691-V695 PolarHBondContact O-N 3.23Å; L692-V695 PolarHBondContact O-N 3.33Å; L692-V695 VanDerWaalsContact O-N 3.15Å; V695-G697 VanDerWaalsContact C-N 3.28Å; V695-G697 PolarHBondContact O-N 3.48Å; V695-C698 PolarHBondContact O-N 2.9Å; V695-Q699 WeakPolarHBondContact O-CG 3.35Å; V695-Q699 PolarHBondContact O-N 3.33Å; V695-V705 HydrophobicContact CG1-CG1 4.15Å; V695-V707 HydrophobicContact CG1-CG2 4.31Å; V695-V707 HydrophobicContact CG2-CG2 3.44Å; V695-V707 VanDerWaalsContact CG2-CG2 3.44Å; V695-A717 HydrophobicContact CG2-CB 4.07Å; V695-Q720 HydrophobicContact CG1-CB 4.41Å; V695-Q720 HydrophobicContact CG1-CG 4.14Å
696	E	93.1	Very high	92.2	Very high	32 Å²	32	22.4 Å²	22.4	15%	0.15	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-39	174.9	-70.3	-177	166.1	0	0	111.7	K30 L692 I693 Q699 R700 Q720	K30-E696 WeakPolarHBondContact CE-OE1 3.37Å; K30-E696 IonicContact NZ-OE1 3.98Å; K30-E696 PolarHBondContact NZ-OE1 3.01Å; K30-E696 IonicContact NZ-OE2 2.72Å; K30-E696 PolarHBondContact NZ-OE2 3.27Å; L692-E696 HydrophobicContact CD1-CG 4.39Å; L692-E696 WeakPolarHBondContact O-CG 3.23Å; L692-E696 PolarHBondContact O-N 2.94Å; I693-E696 PolarHBondContact O-N 2.77Å; E696-Q699 PolarHBondContact O-N 2.98Å; E696-R700 WeakPolarHBondContact O-CB 3.45Å; E696-R700 VanDerWaalsContact O-CG 3.31Å; E696-R700 WeakPolarHBondContact O-CG 3.37Å; E696-R700 PolarHBondContact O-N 3.31Å; E696-Q720 HydrophobicContact CG-CG 3.94Å
697	G	93.7	Very high	92.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.2	-43.8	174.5	0	0	0	0	0	113.1	L675 I693 I694 V695 R700	L675-G697 VanDerWaalsContact CD1-C 3.43Å; I693-G697 PolarHBondContact O-N 3.28Å; I694-G697 PolarHBondContact O-N 2.97Å; V695-G697 VanDerWaalsContact C-N 3.28Å; V695-G697 PolarHBondContact O-N 3.48Å; G697-R700 VanDerWaalsContact CA-CZ 3.49Å; G697-R700 VanDerWaalsContact CA-NH2 3.25Å; G697-R700 PolarHBondContact O-N 2.86Å
698	C	95	Very high	93	Very high	7 Å²	7	21.6 Å²	21.6	5%	0.047	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-43.3	175.4	-63.4	0	0	0	0	111.4	I694 V695 R700 Q701 A703 V705	I694-C698 PolarHBondContact O-N 3.48Å; I694-C698 PolarHBondContact O-SG 3.16Å; I694-C698 VanDerWaalsContact O-SG 3.33Å; V695-C698 PolarHBondContact O-N 2.9Å; C698-R700 PolarHBondContact O-N 3.06Å; C698-Q701 WeakPolarHBondContact O-CB 3.48Å; C698-Q701 PolarHBondContact O-N 3.33Å; C698-A703 WeakPolarHBondContact O-CB 3.33Å; C698-V705 HydrophobicContact CB-CG1 4.46Å; C698-V705 HydrophobicContact CB-CG2 3.42Å; C698-V705 VanDerWaalsContact CB-CG2 3.42Å
699	Q	93.7	Very high	93.3	Very high	42 Å²	42	21.3 Å²	21.3	20%	0.196	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-35.8	178	-72.1	176.6	-28.6	0	0	112.9	V695 E696 Q701 G702 V705 Q720 D722	V695-Q699 WeakPolarHBondContact O-CG 3.35Å; V695-Q699 PolarHBondContact O-N 3.33Å; E696-Q699 PolarHBondContact O-N 2.98Å; Q699-Q701 PolarHBondContact O-N 3.14Å; Q699-G702 WeakPolarHBondContact O-CA 3.38Å; Q699-G702 PolarHBondContact O-N 3.46Å; Q699-V705 HydrophobicContact CG-CB 4.23Å; Q699-V705 HydrophobicContact CG-CG2 3.74Å; Q699-Q720 PolarHBondContact NE2-O 3.4Å; Q699-D722 PolarHBondContact NE2-OD2 3.36Å
700	R	92.8	Very high	93.4	Very high	108 Å²	108	21 Å²	21	41%	0.408	11%	0.112	S	C	.	.	H	α-helix	trans	-60.8	-29.4	175.6	-78.8	-168.7	-53.8	-91.8	2.4	113	D672 E696 G697 C698 G702	D672-R700 IonicContact OD1-CZ 3.02Å; D672-R700 IonicContact OD1-NE 2.77Å; D672-R700 PolarHBondContact OD1-NE 3.06Å; D672-R700 IonicContact OD1-NH2 3.22Å; D672-R700 PolarHBondContact OD1-NH2 2.98Å; D672-R700 IonicContact OD2-NE 2.89Å; D672-R700 PolarHBondContact OD2-NE 3.35Å; D672-R700 IonicContact OD2-NH2 3.96Å; E696-R700 WeakPolarHBondContact O-CB 3.45Å; E696-R700 VanDerWaalsContact O-CG 3.31Å; E696-R700 WeakPolarHBondContact O-CG 3.37Å; E696-R700 PolarHBondContact O-N 3.31Å; G697-R700 VanDerWaalsContact CA-CZ 3.49Å; G697-R700 VanDerWaalsContact CA-NH2 3.25Å; G697-R700 PolarHBondContact O-N 2.86Å; C698-R700 PolarHBondContact O-N 3.06Å; R700-G702 PolarHBondContact O-N 3.45Å
701	Q	89.9	Confident	93.1	Very high	93 Å²	93	21 Å²	21	44%	0.435	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-3.3	173.3	-59.1	-59.5	-38.1	0	0	113.2	D672 C698 Q699 A703	D672-Q701 VanDerWaalsContact CB-NE2 3.3Å; C698-Q701 WeakPolarHBondContact O-CB 3.48Å; C698-Q701 PolarHBondContact O-N 3.33Å; Q699-Q701 PolarHBondContact O-N 3.14Å; Q701-A703 VanDerWaalsContact C-N 3.33Å
702	G	90.1	Very high	92.8	Very high	46 Å²	46	21.2 Å²	21.2	47%	0.474	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	9.3	-174.6	0	0	0	0	0	114	Q699 R700	Q699-G702 WeakPolarHBondContact O-CA 3.38Å; Q699-G702 PolarHBondContact O-N 3.46Å; R700-G702 PolarHBondContact O-N 3.45Å
703	A	93.1	Very high	92.5	Very high	19 Å²	19	21.3 Å²	21.3	16%	0.157	12%	0.117	C	C	.	.			trans	-74.7	141	175.5	0	0	0	0	0	110.8	S365 C698 Q701 V705	S365-A703 WeakPolarHBondContact OG-CA 3.47Å; S365-A703 WeakPolarHBondContact OG-CB 3.4Å; C698-A703 WeakPolarHBondContact O-CB 3.33Å; Q701-A703 VanDerWaalsContact C-N 3.33Å; A703-V705 HydrophobicContact CB-CG2 4.4Å
704	I	95.7	Very high	92.5	Very high	13 Å²	13	19.1 Å²	19.1	7%	0.067	11%	0.106	C	C	.	.			trans	-82.3	120	165.4	-53.8	-51.6	0	0	0	108.2	P277 T360 S363 S365 T366 D722 P832	P277-I704 HydrophobicContact CG-CD1 3.85Å; P277-I704 HydrophobicContact CG-CG1 4.24Å; P277-I704 HydrophobicContact CG-CG2 4.03Å; T360-I704 HydrophobicContact CG2-CG2 4.05Å; S363-I704 WeakPolarHBondContact O-CB 3.5Å; S365-I704 PolarHBondContact N-O 3.11Å; S365-I704 PolarHBondContact OG-N 2.62Å; S365-I704 PolarHBondContact OG-O 3.23Å; S365-I704 VanDerWaalsContact OG-O 3.1Å; T366-I704 PolarHBondContact N-O 3.46Å; T366-I704 VanDerWaalsContact N-O 3.15Å; I704-D722 HydrophobicContact CG2-CB 3.86Å; I704-P832 HydrophobicContact CD1-CB 4.49Å; I704-P832 HydrophobicContact CD1-CG 4.41Å; I704-P832 HydrophobicContact CG1-CG 4.5Å
705	V	96.5	Very high	92.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123	-169.7	-173.4	0	0	0	0	110.9	T366 V695 C698 Q699 A703 V707 D722 I723	T366-V705 WeakPolarHBondContact O-CA 3.39Å; V695-V705 HydrophobicContact CG1-CG1 4.15Å; C698-V705 HydrophobicContact CB-CG1 4.46Å; C698-V705 HydrophobicContact CB-CG2 3.42Å; C698-V705 VanDerWaalsContact CB-CG2 3.42Å; Q699-V705 HydrophobicContact CG-CB 4.23Å; Q699-V705 HydrophobicContact CG-CG2 3.74Å; A703-V705 HydrophobicContact CB-CG2 4.4Å; V705-V707 HydrophobicContact CG1-CG2 4.42Å; V705-D722 PolarHBondContact N-OD2 2.78Å; V705-D722 PolarHBondContact O-N 3.38Å; V705-I723 PolarHBondContact O-N 2.91Å
706	A	97	Very high	91.9	Very high	1 Å²	1	19 Å²	19	1%	0.008	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.1	166.9	0	0	0	0	0	109.9	L361 T364 T366 I367 C368 I723	L361-A706 HydrophobicContact CD1-CB 4.32Å; T364-A706 HydrophobicContact CG2-CB 3.58Å; T366-A706 PolarHBondContact O-N 3.41Å; I367-A706 CarbonylContact C-O 3.47Å; I367-A706 WeakPolarHBondContact CA-O 3.42Å; I367-A706 HydrophobicContact CG1-CB 4.2Å; C368-A706 PolarHBondContact N-O 3.41Å; A706-I723 WeakPolarHBondContact CA-O 3.41Å; A706-I723 HydrophobicContact CB-CG2 3.47Å; A706-I723 VanDerWaalsContact CB-CG2 3.47Å
707	V	97.1	Very high	91.9	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.03	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.1	173.8	175.1	0	0	0	0	109.5	C368 V695 V705 A717 L718 A721 I723 V725	C368-V707 HydrophobicContact CB-CG2 4.06Å; C368-V707 CarbonylContact O-C 3.33Å; C368-V707 VanDerWaalsContact O-CA 3.26Å; C368-V707 WeakPolarHBondContact O-CA 3.47Å; V695-V707 HydrophobicContact CG1-CG2 4.31Å; V695-V707 HydrophobicContact CG2-CG2 3.44Å; V695-V707 VanDerWaalsContact CG2-CG2 3.44Å; V705-V707 HydrophobicContact CG1-CG2 4.42Å; V707-A717 HydrophobicContact CG1-CB 4.09Å; V707-A717 HydrophobicContact CG2-CB 4.49Å; V707-L718 HydrophobicContact CB-CD2 4.17Å; V707-L718 HydrophobicContact CG1-CD2 3.85Å; V707-L718 HydrophobicContact CG1-CG 4.1Å; V707-L718 VanDerWaalsContact O-CD2 3.32Å; V707-L718 WeakPolarHBondContact O-CD2 3.32Å; V707-A721 HydrophobicContact CB-CB 3.84Å; V707-A721 HydrophobicContact CG2-CB 3.54Å; V707-I723 PolarHBondContact N-O 3.31Å; V707-V725 PolarHBondContact O-N 3.49Å
708	T	95.5	Very high	91.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.3	174.4	53.8	0	0	0	0	109.9	I367 C368 S369 D370 V725 F748 I751	I367-T708 HydrophobicContact CG2-CG2 4.44Å; C368-T708 PolarHBondContact O-N 2.87Å; S369-T708 VanDerWaalsContact CA-OG1 3.23Å; S369-T708 WeakPolarHBondContact CA-OG1 3.47Å; S369-T708 WeakPolarHBondContact CB-OG1 3.45Å; S369-T708 PolarHBondContact OG-OG1 2.87Å; D370-T708 PolarHBondContact N-O 3.15Å; T708-V725 WeakPolarHBondContact CA-O 3.24Å; T708-V725 HydrophobicContact CG2-CB 3.77Å; T708-V725 HydrophobicContact CG2-CG1 4.15Å; T708-V725 HydrophobicContact CG2-CG2 4.28Å; T708-F748 HydrophobicContact CG2-CE2 4.29Å; T708-I751 HydrophobicContact CG2-CD1 3.45Å; T708-I751 VanDerWaalsContact CG2-CD1 3.45Å; T708-I751 HydrophobicContact CG2-CG1 4.4Å
709	G	92.2	Very high	91.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	167	-176.9	0	0	0	0	0	113.4	T374 D714 V725 A726 M727	T374-G709 WeakPolarHBondContact OG1-CA 3.25Å; G709-D714 VanDerWaalsContact CA-OD2 3.23Å; G709-D714 WeakPolarHBondContact CA-OD2 3.4Å; G709-V725 PolarHBondContact N-O 2.95Å; G709-V725 VanDerWaalsContact N-O 3.09Å; G709-A726 WeakPolarHBondContact O-CA 3.39Å; G709-M727 PolarHBondContact O-N 3.17Å
710	D	89.8	Confident	91.5	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.043	10%	0.101	C	C	.	.			trans	-128.2	-36.1	-179.5	75.1	-38	0	0	0	111	G373 T374 D714 M727 G731 S732 S735	G373-D710 WeakPolarHBondContact CA-OD2 3.27Å; T374-D710 PolarHBondContact OG1-N 3.15Å; D710-D714 PolarHBondContact N-OD2 3.39Å; D710-D714 VanDerWaalsContact N-OD2 3.09Å; D710-M727 HydrophobicContact CB-CB 4Å; D710-M727 HydrophobicContact CB-CG 3.82Å; D710-G731 CarbonylContact O-C 3.54Å; D710-G731 VanDerWaalsContact O-CA 3.3Å; D710-G731 WeakPolarHBondContact O-CA 3.25Å; D710-S732 PolarHBondContact O-N 2.82Å; D710-S732 PolarHBondContact O-OG 3.38Å; D710-S735 VanDerWaalsContact O-CB 3.32Å; D710-S735 WeakPolarHBondContact O-CB 3.31Å; D710-S735 PolarHBondContact O-OG 3.11Å
711	G	84	Confident	91.6	Very high	10 Å²	10	13.4 Å²	13.4	10%	0.103	8%	0.084	C	C	.	.	S	Bend	trans	-78.9	166.1	-175.6	0	0	0	0	0	114.6	N713 D714 S735	G711-N713 VanDerWaalsContact C-N 3.27Å; G711-N713 VanDerWaalsContact C-OD1 3.3Å; G711-N713 VanDerWaalsContact CA-OD1 3.26Å; G711-N713 WeakPolarHBondContact CA-OD1 3.49Å; G711-D714 PolarHBondContact N-OD2 3.34Å; G711-D714 PolarHBondContact O-N 2.89Å; G711-S735 WeakPolarHBondContact O-CB 3.41Å
712	V	85.5	Confident	91.8	Very high	9 Å²	9	10.3 Å²	10.3	6%	0.055	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-68.4	-31.5	175.9	169.7	0	0	0	0	111.1	A211 M261 D714 S715 V734	A211-V712 HydrophobicContact CB-CB 4.48Å; A211-V712 HydrophobicContact CB-CG2 4.37Å; A211-V712 VanDerWaalsContact O-CB 3.24Å; A211-V712 WeakPolarHBondContact O-CB 3.47Å; A211-V712 WeakPolarHBondContact O-CG1 3.34Å; M261-V712 HydrophobicContact CE-CG1 3.23Å; M261-V712 HydrophobicContact SD-CG1 3.55Å; M261-V712 VanDerWaalsContact SD-CG1 3.55Å; V712-D714 PolarHBondContact O-N 3.26Å; V712-S715 VanDerWaalsContact O-CB 3.27Å; V712-S715 WeakPolarHBondContact O-CB 3.2Å; V712-S715 PolarHBondContact O-N 2.98Å; V712-S715 PolarHBondContact O-OG 2.92Å; V712-V734 HydrophobicContact CG1-CG1 4.24Å; V712-V734 HydrophobicContact CG2-CB 4.09Å; V712-V734 HydrophobicContact CG2-CG2 4.32Å
713	N	86.5	Confident	92	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.011	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-58.6	-24.2	172.6	58.6	-33.4	0	0	0	113.7	L212 P688 K691 G711 S715	L212-N713 WeakPolarHBondContact O-CB 3.32Å; P688-N713 HydrophobicContact CB-CB 4.33Å; P688-N713 WeakPolarHBondContact CB-O 3.16Å; P688-N713 HydrophobicContact CG-CB 3.79Å; K691-N713 PolarHBondContact NZ-ND2 2.96Å; K691-N713 VanDerWaalsContact NZ-ND2 3.13Å; G711-N713 VanDerWaalsContact C-N 3.27Å; G711-N713 VanDerWaalsContact C-OD1 3.3Å; G711-N713 VanDerWaalsContact CA-OD1 3.26Å; G711-N713 WeakPolarHBondContact CA-OD1 3.49Å; N713-S715 VanDerWaalsContact C-N 3.33Å
714	D	90.8	Very high	92	Very high	3 Å²	3	7.2 Å²	7.2	2%	0.016	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-81.7	-13.7	177.2	-61.5	-41.2	0	0	0	112.9	K691 G709 D710 G711 V712 A717 L718	K691-D714 WeakPolarHBondContact CD-OD1 3.4Å; K691-D714 IonicContact NZ-OD1 2.72Å; K691-D714 PolarHBondContact NZ-OD1 2.99Å; G709-D714 VanDerWaalsContact CA-OD2 3.23Å; G709-D714 WeakPolarHBondContact CA-OD2 3.4Å; D710-D714 PolarHBondContact N-OD2 3.39Å; D710-D714 VanDerWaalsContact N-OD2 3.09Å; G711-D714 PolarHBondContact N-OD2 3.34Å; G711-D714 PolarHBondContact O-N 2.89Å; V712-D714 PolarHBondContact O-N 3.26Å; D714-A717 PolarHBondContact O-N 2.92Å; D714-A717 VanDerWaalsContact O-N 3.11Å; D714-L718 HydrophobicContact CB-CD1 3.83Å; D714-L718 HydrophobicContact CB-CG 4.1Å; D714-L718 WeakPolarHBondContact O-CB 3.34Å; D714-L718 WeakPolarHBondContact O-CG 3.42Å; D714-L718 PolarHBondContact O-N 3.37Å
715	S	88.7	Confident	92	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58.6	-38.4	-171.3	63.7	0	0	0	0	115.4	V712 N713 K719	V712-S715 VanDerWaalsContact O-CB 3.27Å; V712-S715 WeakPolarHBondContact O-CB 3.2Å; V712-S715 PolarHBondContact O-N 2.98Å; V712-S715 PolarHBondContact O-OG 2.92Å; N713-S715 VanDerWaalsContact C-N 3.33Å; S715-K719 WeakPolarHBondContact O-CB 3.27Å; S715-K719 PolarHBondContact O-N 3.49Å; S715-K719 VanDerWaalsContact O-N 3.15Å
716	P	89.7	Confident	91.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-67.4	-42.5	174.7	-19.2	34.7	0	0	0	112	I264 L267 A268 L271 L692 K719 Q720	I264-P716 HydrophobicContact CG2-CG 4.01Å; L267-P716 HydrophobicContact CD2-CB 4.02Å; L267-P716 HydrophobicContact CD2-CG 4.2Å; L267-P716 HydrophobicContact CG-CB 4.24Å; A268-P716 HydrophobicContact CB-CG 4.43Å; L271-P716 HydrophobicContact CD1-CB 4.24Å; L692-P716 HydrophobicContact CB-CB 4.28Å; L692-P716 HydrophobicContact CD2-CB 4.48Å; P716-K719 PolarHBondContact O-N 2.65Å; P716-Q720 WeakPolarHBondContact O-CB 3.43Å; P716-Q720 PolarHBondContact O-N 3.16Å
717	A	93.2	Very high	91.6	Very high	3 Å²	3	6.7 Å²	6.7	3%	0.025	4%	0.038	C	C	.	.	H	α-helix	trans	-67	-44.2	179.5	0	0	0	0	0	111.9	K691 V695 V707 D714 K719 Q720 A721	K691-A717 HydrophobicContact CB-CB 3.85Å; V695-A717 HydrophobicContact CG2-CB 4.07Å; V707-A717 HydrophobicContact CG1-CB 4.09Å; V707-A717 HydrophobicContact CG2-CB 4.49Å; D714-A717 PolarHBondContact O-N 2.92Å; D714-A717 VanDerWaalsContact O-N 3.11Å; A717-K719 PolarHBondContact O-N 3.3Å; A717-Q720 PolarHBondContact O-N 3.3Å; A717-A721 WeakPolarHBondContact O-CB 3.33Å; A717-A721 PolarHBondContact O-N 2.84Å
718	L	92.9	Very high	91.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.9	-36.5	174.5	-76.3	169.1	0	0	0	112	V707 D714 G724 V725 A738 A739	V707-L718 HydrophobicContact CB-CD2 4.17Å; V707-L718 HydrophobicContact CG1-CD2 3.85Å; V707-L718 HydrophobicContact CG1-CG 4.1Å; V707-L718 VanDerWaalsContact O-CD2 3.32Å; V707-L718 WeakPolarHBondContact O-CD2 3.32Å; D714-L718 HydrophobicContact CB-CD1 3.83Å; D714-L718 HydrophobicContact CB-CG 4.1Å; D714-L718 WeakPolarHBondContact O-CB 3.34Å; D714-L718 WeakPolarHBondContact O-CG 3.42Å; D714-L718 PolarHBondContact O-N 3.37Å; L718-G724 WeakPolarHBondContact O-CA 3.34Å; L718-V725 WeakPolarHBondContact CD2-O 3.19Å; L718-A738 HydrophobicContact CB-CB 4.22Å; L718-A739 HydrophobicContact CD2-CB 4.41Å
719	K	89.1	Confident	90.6	Very high	18 Å²	18	13.1 Å²	13.1	8%	0.078	8%	0.075	C	C	.	.	H	α-helix	trans	-77.6	-37.2	-178.8	-170.7	61.3	168.3	173.7	0	113.4	I151 A268 L271 L273 S715 P716 A717	I151-K719 HydrophobicContact CD1-CD 4.01Å; I151-K719 VanDerWaalsContact CD1-NZ 3.27Å; A268-K719 WeakPolarHBondContact O-CG 3.34Å; L271-K719 HydrophobicContact CB-CG 4.17Å; L271-K719 HydrophobicContact CD1-CB 4.49Å; L273-K719 HydrophobicContact CD2-CD 4.13Å; L273-K719 VanDerWaalsContact CD2-NZ 3.29Å; L273-K719 VanDerWaalsContact CG-NZ 3.33Å; S715-K719 WeakPolarHBondContact O-CB 3.27Å; S715-K719 PolarHBondContact O-N 3.49Å; S715-K719 VanDerWaalsContact O-N 3.15Å; P716-K719 PolarHBondContact O-N 2.65Å; A717-K719 PolarHBondContact O-N 3.3Å
720	Q	92.2	Very high	90.2	Very high	43 Å²	43	15 Å²	15	20%	0.201	9%	0.091	C	C	.	.	H	α-helix	trans	-76.6	-28	179.2	-179.2	60.6	30.4	0	0	112.7	L271 L692 V695 E696 Q699 P716 A717	L271-Q720 HydrophobicContact CD1-CB 4.39Å; L692-Q720 HydrophobicContact CD1-CB 3.19Å; L692-Q720 HydrophobicContact CD1-CG 3.41Å; L692-Q720 VanDerWaalsContact CD1-CG 3.41Å; V695-Q720 HydrophobicContact CG1-CB 4.41Å; V695-Q720 HydrophobicContact CG1-CG 4.14Å; E696-Q720 HydrophobicContact CG-CG 3.94Å; Q699-Q720 PolarHBondContact NE2-O 3.4Å; P716-Q720 WeakPolarHBondContact O-CB 3.43Å; P716-Q720 PolarHBondContact O-N 3.16Å; A717-Q720 PolarHBondContact O-N 3.3Å
721	A	94.3	Very high	89.8	Confident	8 Å²	8	15 Å²	15	7%	0.066	9%	0.092	C	C	.	.	S	Bend	trans	-53.3	151.4	176.5	0	0	0	0	0	111.9	V707 A717 I723	V707-A721 HydrophobicContact CB-CB 3.84Å; V707-A721 HydrophobicContact CG2-CB 3.54Å; A717-A721 WeakPolarHBondContact O-CB 3.33Å; A717-A721 PolarHBondContact O-N 2.84Å; A721-I723 WeakPolarHBondContact CB-O 3.45Å; A721-I723 PolarHBondContact O-N 2.83Å
722	D	93.9	Very high	89.8	Confident	28 Å²	28	16 Å²	16	15%	0.15	10%	0.097	C	C	.	.	S	Bend	trans	-63.8	-30	170.3	-60.5	-82.3	0	0	0	110.5	T360 Q699 I704 V705	T360-D722 HydrophobicContact CG2-CB 3.84Å; Q699-D722 PolarHBondContact NE2-OD2 3.36Å; I704-D722 HydrophobicContact CG2-CB 3.86Å; V705-D722 PolarHBondContact N-OD2 2.78Å; V705-D722 PolarHBondContact O-N 3.38Å
723	I	93.7	Very high	89.5	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	120.5	168.3	-175.6	176.6	0	0	0	111.4	A357 T360 L361 V705 A706 V707 A721 V725 D740 M741	A357-I723 HydrophobicContact CB-CD1 3.9Å; A357-I723 HydrophobicContact CB-CG1 4.09Å; A357-I723 VanDerWaalsContact O-CD1 3.31Å; A357-I723 WeakPolarHBondContact O-CD1 3.2Å; T360-I723 HydrophobicContact CG2-CB 3.82Å; T360-I723 HydrophobicContact CG2-CG2 3.92Å; L361-I723 HydrophobicContact CB-CD1 3.87Å; L361-I723 HydrophobicContact CD1-CD1 4.37Å; L361-I723 HydrophobicContact CD1-CG2 4.42Å; V705-I723 PolarHBondContact O-N 2.91Å; A706-I723 WeakPolarHBondContact CA-O 3.41Å; A706-I723 HydrophobicContact CB-CG2 3.47Å; A706-I723 VanDerWaalsContact CB-CG2 3.47Å; V707-I723 PolarHBondContact N-O 3.31Å; A721-I723 WeakPolarHBondContact CB-O 3.45Å; A721-I723 PolarHBondContact O-N 2.83Å; I723-V725 HydrophobicContact CD1-CG2 4.49Å; I723-V725 HydrophobicContact CG1-CG2 4.36Å; I723-D740 HydrophobicContact CG1-CB 4.3Å; I723-M741 HydrophobicContact CD1-CB 4.47Å; I723-M741 HydrophobicContact CD1-CE 3.81Å; I723-M741 HydrophobicContact CD1-SD 4.32Å
724	G	94	Very high	89.4	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132	168.6	0	0	0	0	0	112.1	L718 A739 D740 M741	L718-G724 WeakPolarHBondContact O-CA 3.34Å; G724-A739 WeakPolarHBondContact O-CB 3.47Å; G724-D740 PolarHBondContact N-OD2 2.94Å; G724-D740 PolarHBondContact O-N 3.43Å; G724-M741 PolarHBondContact O-N 3.37Å
725	V	94.9	Very high	89.2	Confident	1 Å²	1	20 Å²	20	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.9	178	-176.2	0	0	0	0	109.8	V707 T708 G709 L718 I723 M741 L743 I751	V707-V725 PolarHBondContact O-N 3.49Å; T708-V725 WeakPolarHBondContact CA-O 3.24Å; T708-V725 HydrophobicContact CG2-CB 3.77Å; T708-V725 HydrophobicContact CG2-CG1 4.15Å; T708-V725 HydrophobicContact CG2-CG2 4.28Å; G709-V725 PolarHBondContact N-O 2.95Å; G709-V725 VanDerWaalsContact N-O 3.09Å; L718-V725 WeakPolarHBondContact CD2-O 3.19Å; I723-V725 HydrophobicContact CD1-CG2 4.49Å; I723-V725 HydrophobicContact CG1-CG2 4.36Å; V725-M741 WeakPolarHBondContact CA-O 3.46Å; V725-M741 HydrophobicContact CG2-CB 4.3Å; V725-M741 HydrophobicContact CG2-SD 4.29Å; V725-L743 HydrophobicContact CG1-CD1 3.88Å; V725-L743 HydrophobicContact CG1-CD2 3.94Å; V725-L743 HydrophobicContact CG1-CG 3.67Å; V725-I751 HydrophobicContact CG1-CG1 4.49Å
726	A	93.1	Very high	89	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	149	178.9	0	0	0	0	0	113	G709 K736 A739 M741 I742 L743	G709-A726 WeakPolarHBondContact O-CA 3.39Å; A726-K736 HydrophobicContact CB-CB 4.5Å; A726-K736 HydrophobicContact CB-CG 4.15Å; A726-A739 HydrophobicContact CB-CB 3.55Å; A726-M741 PolarHBondContact N-O 2.82Å; A726-I742 WeakPolarHBondContact O-CA 3.39Å; A726-L743 PolarHBondContact O-N 3.29Å
727	M	92.1	Very high	88.7	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133.8	170.6	-55	-55	-84.3	0	0	110.4	T374 G709 D710 A730 G731 K736 L743 D746	T374-M727 HydrophobicContact CG2-SD 4.43Å; G709-M727 PolarHBondContact O-N 3.17Å; D710-M727 HydrophobicContact CB-CB 4Å; D710-M727 HydrophobicContact CB-CG 3.82Å; M727-A730 HydrophobicContact CB-CB 4.3Å; M727-G731 VanDerWaalsContact O-CA 3.26Å; M727-G731 WeakPolarHBondContact O-CA 3.45Å; M727-G731 PolarHBondContact O-N 2.69Å; M727-K736 WeakPolarHBondContact O-CE 3.45Å; M727-L743 HydrophobicContact SD-CD1 4.16Å; M727-D746 HydrophobicContact CE-CB 3.65Å; M727-D746 WeakPolarHBondContact CE-O 3.33Å
728	G	87.2	Confident	88.3	Confident	17 Å²	17	24.6 Å²	24.6	18%	0.175	14%	0.139	C	C	.	.	S	Bend	trans	-79.2	-32.4	-173.7	0	0	0	0	0	114.1	K736 L743 D746	G728-K736 WeakPolarHBondContact O-CE 3.17Å; G728-K736 PolarHBondContact O-NZ 3.17Å; G728-L743 WeakPolarHBondContact CA-O 3.44Å; G728-L743 PolarHBondContact N-O 2.87Å; G728-D746 PolarHBondContact N-OD1 2.75Å
729	I	85.7	Confident	88.2	Confident	125 Å²	125	24.6 Å²	24.6	64%	0.641	14%	0.139	S	C	*	.	S	Bend	trans	-102.3	-59.5	-178.3	-51.2	171.7	0	0	0	109.6	G731 D746	I729-G731 VanDerWaalsContact C-N 3.29Å; I729-G731 PolarHBondContact O-N 2.7Å; I729-D746 WeakPolarHBondContact CB-OD2 3.38Å; I729-D746 PolarHBondContact N-OD1 3.28Å
730	A	82.2	Confident	88.2	Confident	40 Å²	40	24.2 Å²	24.2	33%	0.331	14%	0.138	S	C	.	.	S	Bend	trans	-68.6	-26.9	179.9	0	0	0	0	0	113.3	M727 D746	M727-A730 HydrophobicContact CB-CB 4.3Å; A730-D746 WeakPolarHBondContact CB-OD2 3.44Å; A730-D746 PolarHBondContact N-OD2 3.48Å
731	G	81.8	Confident	88.1	Confident	6 Å²	6	22.2 Å²	22.2	6%	0.062	13%	0.128	C	C	.	.	S	Bend	trans	-66.5	141.1	-175.6	0	0	0	0	0	113.6	D710 M727 I729 K736	D710-G731 CarbonylContact O-C 3.54Å; D710-G731 VanDerWaalsContact O-CA 3.3Å; D710-G731 WeakPolarHBondContact O-CA 3.25Å; M727-G731 VanDerWaalsContact O-CA 3.26Å; M727-G731 WeakPolarHBondContact O-CA 3.45Å; M727-G731 PolarHBondContact O-N 2.69Å; I729-G731 VanDerWaalsContact C-N 3.29Å; I729-G731 PolarHBondContact O-N 2.7Å; G731-K736 WeakPolarHBondContact O-CE 3.42Å; G731-K736 PolarHBondContact O-NZ 3.37Å
732	S	83.7	Confident	88	Confident	31 Å²	31	22.8 Å²	22.8	22%	0.217	13%	0.13	C	C	.	.			trans	-62.9	154.9	167.4	68.9	0	0	0	0	111.7	D710 V734 S735 K736	D710-S732 PolarHBondContact O-N 2.82Å; D710-S732 PolarHBondContact O-OG 3.38Å; S732-V734 PolarHBondContact O-N 2.69Å; S732-S735 PolarHBondContact N-OG 3.32Å; S732-S735 PolarHBondContact O-N 2.91Å; S732-S735 PolarHBondContact O-OG 2.98Å; S732-S735 PolarHBondContact OG-N 2.96Å; S732-S735 VanDerWaalsContact OG-N 3.12Å; S732-S735 PolarHBondContact OG-OG 3.33Å; S732-K736 WeakPolarHBondContact O-CG 3.39Å; S732-K736 PolarHBondContact O-N 3.22Å; S732-K736 VanDerWaalsContact O-N 3.15Å
733	D	80.9	Confident	87.9	Confident	97 Å²	97	21.4 Å²	21.4	52%	0.519	12%	0.123	S	C	.	.	H	α-helix	trans	-62.7	-27	175.5	-69.1	-31.6	0	0	0	112	S154 Q737	S154-D733 PolarHBondContact OG-O 2.96Å; D733-Q737 WeakPolarHBondContact O-CB 3.38Å; D733-Q737 VanDerWaalsContact O-CG 3.22Å; D733-Q737 WeakPolarHBondContact O-CG 3.29Å; D733-Q737 PolarHBondContact O-N 2.63Å; D733-Q737 VanDerWaalsContact O-N 3.15Å
734	V	82.7	Confident	87.7	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-69.3	-48.7	176.1	170.9	0	0	0	0	111.4	F155 L158 V712 S732 K736 Q737 A738	F155-V734 HydrophobicContact CD1-CG1 4.44Å; F155-V734 HydrophobicContact CD1-CG2 3.9Å; F155-V734 HydrophobicContact CD2-CG1 4.25Å; F155-V734 HydrophobicContact CD2-CG2 4.11Å; F155-V734 HydrophobicContact CE1-CB 4.47Å; F155-V734 HydrophobicContact CE1-CG1 3.68Å; F155-V734 HydrophobicContact CE1-CG2 3.93Å; F155-V734 HydrophobicContact CE2-CB 4.36Å; F155-V734 HydrophobicContact CE2-CG1 3.45Å; F155-V734 VanDerWaalsContact CE2-CG1 3.45Å; F155-V734 HydrophobicContact CE2-CG2 4.13Å; F155-V734 HydrophobicContact CG-CG2 4.02Å; F155-V734 HydrophobicContact CZ-CB 4.22Å; F155-V734 HydrophobicContact CZ-CG1 3.12Å; F155-V734 HydrophobicContact CZ-CG2 4.06Å; L158-V734 HydrophobicContact CD1-CG2 3.62Å; V712-V734 HydrophobicContact CG1-CG1 4.24Å; V712-V734 HydrophobicContact CG2-CB 4.09Å; V712-V734 HydrophobicContact CG2-CG2 4.32Å; S732-V734 PolarHBondContact O-N 2.69Å; V734-K736 PolarHBondContact O-N 3.16Å; V734-Q737 PolarHBondContact O-N 3.16Å; V734-A738 WeakPolarHBondContact O-CB 3.11Å; V734-A738 PolarHBondContact O-N 2.72Å
735	S	87	Confident	87.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-43.6	179.1	63.1	0	0	0	0	111.6	D710 G711 S732 Q737 A738 A739	D710-S735 VanDerWaalsContact O-CB 3.32Å; D710-S735 WeakPolarHBondContact O-CB 3.31Å; D710-S735 PolarHBondContact O-OG 3.11Å; G711-S735 WeakPolarHBondContact O-CB 3.41Å; S732-S735 PolarHBondContact N-OG 3.32Å; S732-S735 PolarHBondContact O-N 2.91Å; S732-S735 PolarHBondContact O-OG 2.98Å; S732-S735 PolarHBondContact OG-N 2.96Å; S732-S735 VanDerWaalsContact OG-N 3.12Å; S732-S735 PolarHBondContact OG-OG 3.33Å; S735-Q737 VanDerWaalsContact C-N 3.27Å; S735-Q737 PolarHBondContact O-N 3.26Å; S735-A738 PolarHBondContact O-N 2.77Å; S735-A739 VanDerWaalsContact O-CB 3.31Å; S735-A739 WeakPolarHBondContact O-CB 3.38Å; S735-A739 PolarHBondContact O-N 3.19Å
736	K	85.5	Confident	87	Confident	35 Å²	35	28.1 Å²	28.1	15%	0.152	16%	0.158	C	C	.	.	H	α-helix	trans	-59.3	-35.8	174.8	-68.6	171	-168.7	164.1	0	113.2	K353 A726 M727 G728 G731 S732 V734 I742	K353-K736 PolarHBondContact NZ-O 3.39Å; A726-K736 HydrophobicContact CB-CB 4.5Å; A726-K736 HydrophobicContact CB-CG 4.15Å; M727-K736 WeakPolarHBondContact O-CE 3.45Å; G728-K736 WeakPolarHBondContact O-CE 3.17Å; G728-K736 PolarHBondContact O-NZ 3.17Å; G731-K736 WeakPolarHBondContact O-CE 3.42Å; G731-K736 PolarHBondContact O-NZ 3.37Å; S732-K736 WeakPolarHBondContact O-CG 3.39Å; S732-K736 PolarHBondContact O-N 3.22Å; S732-K736 VanDerWaalsContact O-N 3.15Å; V734-K736 PolarHBondContact O-N 3.16Å; K736-I742 HydrophobicContact CB-CD1 4.08Å; K736-I742 HydrophobicContact CG-CD1 4.47Å
737	Q	83.2	Confident	86.6	Confident	64 Å²	64	30.8 Å²	30.8	30%	0.299	17%	0.173	S	C	.	.	H	α-helix	trans	-77.7	-37.6	176.9	-71	-56.9	-26.1	0	0	112.6	R150 I151 K353 D733 V734 S735 A739	R150-Q737 PolarHBondContact O-OE1 3.39Å; I151-Q737 HydrophobicContact CB-CB 4.5Å; I151-Q737 HydrophobicContact CG1-CB 4.32Å; I151-Q737 WeakPolarHBondContact CG1-O 3.39Å; K353-Q737 VanDerWaalsContact NZ-C 3.33Å; K353-Q737 PolarHBondContact NZ-O 2.71Å; D733-Q737 WeakPolarHBondContact O-CB 3.38Å; D733-Q737 VanDerWaalsContact O-CG 3.22Å; D733-Q737 WeakPolarHBondContact O-CG 3.29Å; D733-Q737 PolarHBondContact O-N 2.63Å; D733-Q737 VanDerWaalsContact O-N 3.15Å; V734-Q737 PolarHBondContact O-N 3.16Å; S735-Q737 VanDerWaalsContact C-N 3.27Å; S735-Q737 PolarHBondContact O-N 3.26Å; Q737-A739 VanDerWaalsContact C-N 3.34Å
738	A	85.6	Confident	86.3	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-35.5	176.7	0	0	0	0	0	112.6	L718 V734 S735	L718-A738 HydrophobicContact CB-CB 4.22Å; V734-A738 WeakPolarHBondContact O-CB 3.11Å; V734-A738 PolarHBondContact O-N 2.72Å; S735-A738 PolarHBondContact O-N 2.77Å
739	A	89.5	Confident	86.4	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.174	C	C	.	.			trans	-71.8	154.2	-179.4	0	0	0	0	0	114.4	K353 L718 G724 A726 S735 Q737	K353-A739 WeakPolarHBondContact CD-O 3.33Å; K353-A739 WeakPolarHBondContact CE-O 3.4Å; K353-A739 PolarHBondContact NZ-O 3.37Å; L718-A739 HydrophobicContact CD2-CB 4.41Å; G724-A739 WeakPolarHBondContact O-CB 3.47Å; A726-A739 HydrophobicContact CB-CB 3.55Å; S735-A739 VanDerWaalsContact O-CB 3.31Å; S735-A739 WeakPolarHBondContact O-CB 3.38Å; S735-A739 PolarHBondContact O-N 3.19Å; Q737-A739 VanDerWaalsContact C-N 3.34Å
740	D	89.2	Confident	86.6	Confident	10 Å²	10	25.5 Å²	25.5	5%	0.053	15%	0.146	C	C	.	.	S	Bend	trans	-90.1	-20.4	173.8	-56	-72.9	0	0	0	112.6	K353 N354 A357 I723 G724	K353-D740 WeakPolarHBondContact CB-O 3.5Å; K353-D740 PolarHBondContact N-O 3.41Å; N354-D740 HydrophobicContact CB-CB 4.5Å; A357-D740 HydrophobicContact CB-CB 3.82Å; I723-D740 HydrophobicContact CG1-CB 4.3Å; G724-D740 PolarHBondContact N-OD2 2.94Å; G724-D740 PolarHBondContact O-N 3.43Å
741	M	90.5	Very high	87.1	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.6	-177.1	-174.1	179.9	-77.1	0	0	110.6	M345 C350 L351 V352 L361 I723 G724 V725 A726	M345-M741 HydrophobicContact SD-CE 4.33Å; C350-M741 VanDerWaalsContact SG-CG 3.59Å; C350-M741 PolarHBondContact SG-SD 3.15Å; L351-M741 CarbonylContact O-C 3.5Å; L351-M741 WeakPolarHBondContact O-CA 3.02Å; V352-M741 HydrophobicContact CG2-CE 3.91Å; L361-M741 HydrophobicContact CD2-CE 3.88Å; L361-M741 HydrophobicContact CD2-SD 3.78Å; I723-M741 HydrophobicContact CD1-CB 4.47Å; I723-M741 HydrophobicContact CD1-CE 3.81Å; I723-M741 HydrophobicContact CD1-SD 4.32Å; G724-M741 PolarHBondContact O-N 3.37Å; V725-M741 WeakPolarHBondContact CA-O 3.46Å; V725-M741 HydrophobicContact CG2-CB 4.3Å; V725-M741 HydrophobicContact CG2-SD 4.29Å; A726-M741 PolarHBondContact N-O 2.82Å
742	I	91.2	Very high	87.7	Confident	20 Å²	20	24 Å²	24	10%	0.103	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.5	-179.4	-57.2	173.8	0	0	0	109.4	L351 K353 A726 K736 L744	L351-I742 HydrophobicContact CB-CB 4.41Å; L351-I742 PolarHBondContact N-O 3.5Å; L351-I742 PolarHBondContact O-N 3.43Å; K353-I742 HydrophobicContact CD-CD1 3.95Å; K353-I742 HydrophobicContact CD-CG1 4.31Å; A726-I742 WeakPolarHBondContact O-CA 3.39Å; K736-I742 HydrophobicContact CB-CD1 4.08Å; K736-I742 HydrophobicContact CG-CD1 4.47Å; I742-L744 HydrophobicContact CG2-CD2 4.16Å; I742-L744 PolarHBondContact O-N 3.32Å
743	L	92.4	Very high	88	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	98.5	174.5	-52.5	-175.1	0	0	0	109.3	V725 A726 M727 G728 D745 D746 I751	V725-L743 HydrophobicContact CG1-CD1 3.88Å; V725-L743 HydrophobicContact CG1-CD2 3.94Å; V725-L743 HydrophobicContact CG1-CG 3.67Å; A726-L743 PolarHBondContact O-N 3.29Å; M727-L743 HydrophobicContact SD-CD1 4.16Å; G728-L743 WeakPolarHBondContact CA-O 3.44Å; G728-L743 PolarHBondContact N-O 2.87Å; L743-D745 PolarHBondContact O-N 3.01Å; L743-D745 VanDerWaalsContact O-N 3.16Å; L743-D746 PolarHBondContact O-N 2.94Å; L743-I751 HydrophobicContact CD1-CD1 4.28Å; L743-I751 HydrophobicContact CD1-CG1 4.02Å
744	L	88.8	Confident	88.6	Confident	80 Å²	80	19.7 Å²	19.7	42%	0.419	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22	-172.2	-60.9	177.8	0	0	0	113.6	N349 L351 I742	N349-L744 HydrophobicContact CB-CB 4.21Å; N349-L744 WeakPolarHBondContact O-CB 3.35Å; N349-L744 PolarHBondContact O-N 2.9Å; L351-L744 HydrophobicContact CB-CD1 4.15Å; L351-L744 HydrophobicContact CB-CD2 4.14Å; L351-L744 HydrophobicContact CB-CG 4.05Å; L351-L744 HydrophobicContact CD2-CD2 4.24Å; I742-L744 HydrophobicContact CG2-CD2 4.16Å; I742-L744 PolarHBondContact O-N 3.32Å
745	D	87.6	Confident	89.2	Confident	52 Å²	52	19.6 Å²	19.6	28%	0.278	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	5.9	-178.3	62.2	-4.6	0	0	0	114.1	N349 L743 N747	N349-D745 HydrophobicContact CB-CB 3.94Å; N349-D745 WeakPolarHBondContact CB-OD2 3.33Å; N349-D745 PolarHBondContact ND2-OD2 3.06Å; N349-D745 VanDerWaalsContact ND2-OD2 3.13Å; L743-D745 PolarHBondContact O-N 3.01Å; L743-D745 VanDerWaalsContact O-N 3.16Å; D745-N747 HydrophobicContact CB-CB 4.5Å; D745-N747 PolarHBondContact O-N 3.27Å; D745-N747 VanDerWaalsContact O-N 3.08Å; D745-N747 WeakPolarHBondContact OD1-CB 3.49Å; D745-N747 PolarHBondContact OD1-N 3.5Å; D745-N747 VanDerWaalsContact OD1-N 3.14Å
746	D	87.2	Confident	89.5	Confident	9 Å²	9	23.5 Å²	23.5	5%	0.048	13%	0.125	C	C	.	.			trans	53.9	22.6	-174.1	-77.8	13.1	0	0	0	113.9	R589 M727 G728 I729 A730 L743	R589-D746 IonicContact NH2-OD2 2.74Å; R589-D746 PolarHBondContact NH2-OD2 3.43Å; M727-D746 HydrophobicContact CE-CB 3.65Å; M727-D746 WeakPolarHBondContact CE-O 3.33Å; G728-D746 PolarHBondContact N-OD1 2.75Å; I729-D746 WeakPolarHBondContact CB-OD2 3.38Å; I729-D746 PolarHBondContact N-OD1 3.28Å; A730-D746 WeakPolarHBondContact CB-OD2 3.44Å; A730-D746 PolarHBondContact N-OD2 3.48Å; L743-D746 PolarHBondContact O-N 2.94Å
747	N	85.5	Confident	89.9	Confident	56 Å²	56	22.4 Å²	22.4	30%	0.299	12%	0.12	S	C	.	.			trans	-93.7	111.1	-178.1	-172	-0.4	0	0	0	111	A591 D745 A749 S750	A591-N747 WeakPolarHBondContact CB-OD1 3.44Å; D745-N747 HydrophobicContact CB-CB 4.5Å; D745-N747 PolarHBondContact O-N 3.27Å; D745-N747 VanDerWaalsContact O-N 3.08Å; D745-N747 WeakPolarHBondContact OD1-CB 3.49Å; D745-N747 PolarHBondContact OD1-N 3.5Å; D745-N747 VanDerWaalsContact OD1-N 3.14Å; N747-A749 PolarHBondContact O-N 2.86Å; N747-A749 VanDerWaalsContact O-N 3.12Å; N747-A749 VanDerWaalsContact OD1-CB 3.31Å; N747-A749 WeakPolarHBondContact OD1-CB 3.47Å; N747-A749 PolarHBondContact OD1-N 3.36Å; N747-S750 WeakPolarHBondContact O-CB 3.31Å; N747-S750 PolarHBondContact O-N 2.93Å; N747-S750 PolarHBondContact O-OG 2.9Å
748	F	85.9	Confident	90.4	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.009	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.9	176.7	-161.1	-88.7	0	0	0	113.1	T374 L375 V592 A595 V596 T708 S750 I751	T374-F748 HydrophobicContact CG2-CD2 4.43Å; T374-F748 HydrophobicContact CG2-CE2 4.36Å; L375-F748 HydrophobicContact CD2-CD2 4.08Å; L375-F748 HydrophobicContact CD2-CE1 4.48Å; L375-F748 HydrophobicContact CD2-CE2 3.71Å; L375-F748 HydrophobicContact CD2-CZ 3.93Å; V592-F748 HydrophobicContact CG2-CB 3.47Å; V592-F748 VanDerWaalsContact CG2-CB 3.47Å; V592-F748 HydrophobicContact CG2-CD1 4.45Å; V592-F748 HydrophobicContact CG2-CG 3.93Å; A595-F748 HydrophobicContact CB-CD1 3.71Å; A595-F748 HydrophobicContact CB-CE1 4.41Å; V596-F748 HydrophobicContact CG2-CE1 4.14Å; T708-F748 HydrophobicContact CG2-CE2 4.29Å; F748-S750 PolarHBondContact O-N 3.36Å; F748-S750 VanDerWaalsContact O-N 3.17Å; F748-I751 HydrophobicContact CD1-CD1 3.98Å; F748-I751 HydrophobicContact CD2-CD1 3.49Å; F748-I751 VanDerWaalsContact CD2-CD1 3.49Å; F748-I751 HydrophobicContact CE1-CD1 3.89Å; F748-I751 HydrophobicContact CE2-CD1 3.37Å; F748-I751 HydrophobicContact CG-CD1 3.8Å; F748-I751 HydrophobicContact CZ-CD1 3.58Å; F748-I751 VanDerWaalsContact O-CB 3.32Å; F748-I751 WeakPolarHBondContact O-CB 3.45Å; F748-I751 PolarHBondContact O-N 3.19Å
749	A	89	Confident	90.9	Very high	24 Å²	24	19.6 Å²	19.6	20%	0.198	11%	0.107	C	C	.	.	H	α-helix	trans	-63	-20.4	174.9	0	0	0	0	0	113.7	A591 A595 N747 I751 V752 T753	A591-A749 HydrophobicContact CB-CB 4.15Å; A595-A749 HydrophobicContact CB-CB 4.38Å; N747-A749 PolarHBondContact O-N 2.86Å; N747-A749 VanDerWaalsContact O-N 3.12Å; N747-A749 VanDerWaalsContact OD1-CB 3.31Å; N747-A749 WeakPolarHBondContact OD1-CB 3.47Å; N747-A749 PolarHBondContact OD1-N 3.36Å; A749-I751 PolarHBondContact O-N 3.24Å; A749-V752 WeakPolarHBondContact O-CB 3.33Å; A749-V752 PolarHBondContact O-N 2.9Å; A749-V752 VanDerWaalsContact O-N 3.17Å; A749-T753 PolarHBondContact O-N 3.38Å; A749-T753 PolarHBondContact O-OG1 3.05Å
750	S	90.4	Very high	91.2	Very high	7 Å²	7	20.4 Å²	20.4	5%	0.049	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-24.2	173.7	-61.5	0	0	0	0	112.2	N747 F748 T753 G754	N747-S750 WeakPolarHBondContact O-CB 3.31Å; N747-S750 PolarHBondContact O-N 2.93Å; N747-S750 PolarHBondContact O-OG 2.9Å; F748-S750 PolarHBondContact O-N 3.36Å; F748-S750 VanDerWaalsContact O-N 3.17Å; S750-T753 WeakPolarHBondContact O-CB 3.23Å; S750-T753 PolarHBondContact O-N 3.33Å; S750-G754 PolarHBondContact O-N 3.41Å
751	I	91.8	Very high	91.5	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-65.4	-45.4	172.3	-64.3	163.7	0	0	0	110.4	L361 I367 T708 V725 L743 F748 A749 T753 G754 V755	L361-I751 HydrophobicContact CD1-CG2 4.3Å; I367-I751 HydrophobicContact CD1-CG2 4.1Å; T708-I751 HydrophobicContact CG2-CD1 3.45Å; T708-I751 VanDerWaalsContact CG2-CD1 3.45Å; T708-I751 HydrophobicContact CG2-CG1 4.4Å; V725-I751 HydrophobicContact CG1-CG1 4.49Å; L743-I751 HydrophobicContact CD1-CD1 4.28Å; L743-I751 HydrophobicContact CD1-CG1 4.02Å; F748-I751 HydrophobicContact CD1-CD1 3.98Å; F748-I751 HydrophobicContact CD2-CD1 3.49Å; F748-I751 VanDerWaalsContact CD2-CD1 3.49Å; F748-I751 HydrophobicContact CE1-CD1 3.89Å; F748-I751 HydrophobicContact CE2-CD1 3.37Å; F748-I751 HydrophobicContact CG-CD1 3.8Å; F748-I751 HydrophobicContact CZ-CD1 3.58Å; F748-I751 VanDerWaalsContact O-CB 3.32Å; F748-I751 WeakPolarHBondContact O-CB 3.45Å; F748-I751 PolarHBondContact O-N 3.19Å; A749-I751 PolarHBondContact O-N 3.24Å; I751-T753 VanDerWaalsContact C-N 3.28Å; I751-T753 PolarHBondContact O-N 3.35Å; I751-G754 CarbonylContact O-C 3.36Å; I751-G754 WeakPolarHBondContact O-CA 3.47Å; I751-G754 PolarHBondContact O-N 2.87Å; I751-V755 HydrophobicContact CG2-CG2 4.44Å; I751-V755 WeakPolarHBondContact O-CG2 3.29Å; I751-V755 PolarHBondContact O-N 3.09Å
752	V	93.9	Very high	91.7	Very high	13 Å²	13	20.5 Å²	20.5	8%	0.079	11%	0.111	C	C	.	.	H	α-helix	trans	-59.1	-44.2	177.6	-177.2	0	0	0	0	110.5	A595 K598 A749 G754 V755 E756 M825	A595-V752 HydrophobicContact CB-CG2 3.8Å; K598-V752 HydrophobicContact CB-CG1 3.89Å; K598-V752 HydrophobicContact CB-CG2 4.11Å; K598-V752 HydrophobicContact CD-CG1 3.93Å; A749-V752 WeakPolarHBondContact O-CB 3.33Å; A749-V752 PolarHBondContact O-N 2.9Å; A749-V752 VanDerWaalsContact O-N 3.17Å; V752-G754 VanDerWaalsContact C-N 3.28Å; V752-G754 PolarHBondContact O-N 3.03Å; V752-V755 PolarHBondContact O-N 3.4Å; V752-E756 PolarHBondContact O-N 2.94Å; V752-M825 HydrophobicContact CG1-CE 3.64Å
753	T	91.5	Very high	91.8	Very high	36 Å²	36	20.5 Å²	20.5	22%	0.221	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-41	174.2	-58.1	0	0	0	0	111.3	K348 A749 S750 I751 E756 E757	K348-T753 HydrophobicContact CB-CG2 4.49Å; K348-T753 HydrophobicContact CD-CG2 3.35Å; A749-T753 PolarHBondContact O-N 3.38Å; A749-T753 PolarHBondContact O-OG1 3.05Å; S750-T753 WeakPolarHBondContact O-CB 3.23Å; S750-T753 PolarHBondContact O-N 3.33Å; I751-T753 VanDerWaalsContact C-N 3.28Å; I751-T753 PolarHBondContact O-N 3.35Å; T753-E756 PolarHBondContact O-N 3.15Å; T753-E757 HydrophobicContact CG2-CG 4.43Å; T753-E757 VanDerWaalsContact O-CG 3.3Å; T753-E757 WeakPolarHBondContact O-CG 3.3Å; T753-E757 PolarHBondContact O-N 3.36Å
754	G	92.3	Very high	92	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-67.2	-38.7	177.7	0	0	0	0	0	113.4	S750 I751 V752 G758	S750-G754 PolarHBondContact O-N 3.41Å; I751-G754 CarbonylContact O-C 3.36Å; I751-G754 WeakPolarHBondContact O-CA 3.47Å; I751-G754 PolarHBondContact O-N 2.87Å; V752-G754 VanDerWaalsContact C-N 3.28Å; V752-G754 PolarHBondContact O-N 3.03Å; G754-G758 PolarHBondContact O-N 3.21Å
755	V	94.8	Very high	92.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.9	-45.1	172.5	174	0	0	0	0	110.3	L361 G362 I604 I751 V752 G758 R759 M825	L361-V755 HydrophobicContact CD1-CG2 4.17Å; L361-V755 HydrophobicContact CG-CG2 3.94Å; G362-V755 WeakPolarHBondContact CA-O 3.38Å; I604-V755 HydrophobicContact CD1-CG1 3.88Å; I604-V755 HydrophobicContact CD1-CG2 3.84Å; I751-V755 HydrophobicContact CG2-CG2 4.44Å; I751-V755 WeakPolarHBondContact O-CG2 3.29Å; I751-V755 PolarHBondContact O-N 3.09Å; V752-V755 PolarHBondContact O-N 3.4Å; V755-G758 PolarHBondContact O-N 3.35Å; V755-R759 VanDerWaalsContact O-CB 3.31Å; V755-R759 WeakPolarHBondContact O-CB 3.31Å; V755-R759 VanDerWaalsContact O-CG 3.3Å; V755-R759 WeakPolarHBondContact O-CG 3.5Å; V755-R759 PolarHBondContact O-N 3.35Å; V755-M825 HydrophobicContact CB-CE 4.44Å; V755-M825 HydrophobicContact CG1-CE 4.16Å; V755-M825 HydrophobicContact CG1-SD 4.09Å
756	E	94.8	Very high	92.6	Very high	82 Å²	82	14.8 Å²	14.8	38%	0.383	8%	0.08	S	C	.	.	H	α-helix	trans	-60.7	-53.1	178.4	-172.8	-177.6	-179.2	0	0	111.6	V752 T753 G758 R759 L760 I824 M825	V752-E756 PolarHBondContact O-N 2.94Å; T753-E756 PolarHBondContact O-N 3.15Å; E756-G758 VanDerWaalsContact C-N 3.32Å; E756-G758 PolarHBondContact O-N 2.88Å; E756-R759 PolarHBondContact O-N 3.39Å; E756-L760 WeakPolarHBondContact O-CB 3.42Å; E756-L760 PolarHBondContact O-N 3Å; E756-I824 HydrophobicContact CG-CD1 3.79Å; E756-I824 HydrophobicContact CG-CG1 4.15Å; E756-I824 VanDerWaalsContact O-CD1 3.22Å; E756-I824 WeakPolarHBondContact O-CD1 3.31Å; E756-M825 HydrophobicContact CB-CG 4.3Å; E756-M825 HydrophobicContact CB-SD 3.8Å; E756-M825 HydrophobicContact CG-CG 4.26Å; E756-M825 HydrophobicContact CG-SD 4.34Å
757	E	93.7	Very high	93	Very high	11 Å²	11	14.5 Å²	14.5	5%	0.051	8%	0.079	C	C	.	.	H	α-helix	trans	-66.1	-34.5	179.6	-64.8	-76.3	-179.7	0	0	112	T341 R344 M345 K348 T753 L760 I761	T341-E757 HydrophobicContact CG2-CB 4.17Å; R344-E757 WeakPolarHBondContact CD-OE1 3.45Å; R344-E757 VanDerWaalsContact CD-OE2 3.27Å; R344-E757 WeakPolarHBondContact CD-OE2 3.28Å; R344-E757 IonicContact CZ-OE2 2.63Å; R344-E757 IonicContact NE-OE2 2.9Å; R344-E757 IonicContact NH1-OE2 3.38Å; R344-E757 PolarHBondContact NH1-OE2 3.2Å; M345-E757 HydrophobicContact CE-CB 3.5Å; M345-E757 VanDerWaalsContact CE-CB 3.5Å; M345-E757 HydrophobicContact CG-CB 4.31Å; M345-E757 HydrophobicContact CG-CG 4.45Å; K348-E757 IonicContact NZ-OE1 2.59Å; K348-E757 PolarHBondContact NZ-OE1 2.97Å; T753-E757 HydrophobicContact CG2-CG 4.43Å; T753-E757 VanDerWaalsContact O-CG 3.3Å; T753-E757 WeakPolarHBondContact O-CG 3.3Å; T753-E757 PolarHBondContact O-N 3.36Å; E757-L760 PolarHBondContact O-N 3.23Å; E757-I761 WeakPolarHBondContact O-CG2 3.49Å; E757-I761 PolarHBondContact O-N 3.01Å
758	G	94	Very high	93.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.7	-43.3	174.6	0	0	0	0	0	112.7	V358 G754 V755 E756 I761 F762	V358-G758 WeakPolarHBondContact O-CA 3.34Å; G754-G758 PolarHBondContact O-N 3.21Å; V755-G758 PolarHBondContact O-N 3.35Å; E756-G758 VanDerWaalsContact C-N 3.32Å; E756-G758 PolarHBondContact O-N 2.88Å; G758-I761 VanDerWaalsContact O-CG2 3.22Å; G758-I761 WeakPolarHBondContact O-CG2 3.19Å; G758-F762 PolarHBondContact O-N 3.44Å
759	R	95	Very high	93.8	Very high	6 Å²	6	11.8 Å²	11.8	2%	0.023	6%	0.064	C	C	.	.	H	α-helix	trans	-65.1	-40.4	174.6	-81.4	178.6	-176.1	-161.6	2.5	111.6	G362 A602 V755 E756 D763 I824 R827	G362-R759 VanDerWaalsContact O-CG 3.23Å; G362-R759 WeakPolarHBondContact O-CG 3.46Å; G362-R759 PolarHBondContact O-NE 3.39Å; A602-R759 PolarHBondContact O-NH2 2.96Å; V755-R759 VanDerWaalsContact O-CB 3.31Å; V755-R759 WeakPolarHBondContact O-CB 3.31Å; V755-R759 VanDerWaalsContact O-CG 3.3Å; V755-R759 WeakPolarHBondContact O-CG 3.5Å; V755-R759 PolarHBondContact O-N 3.35Å; E756-R759 PolarHBondContact O-N 3.39Å; R759-D763 PolarHBondContact O-N 3.18Å; R759-I824 HydrophobicContact CB-CB 4.47Å; R759-I824 HydrophobicContact CB-CD1 4.03Å; R759-I824 WeakPolarHBondContact CD-O 3.47Å; R759-I824 PolarHBondContact NH1-O 3.27Å; R759-R827 VanDerWaalsContact CB-NH2 3.33Å; R759-R827 PolarHBondContact NH1-O 2.95Å; R759-R827 PolarHBondContact O-NH2 2.96Å; R759-R827 VanDerWaalsContact O-NH2 3.11Å
760	L	95.5	Very high	94.1	Very high	19 Å²	19	10.7 Å²	10.7	10%	0.099	6%	0.055	C	C	.	.	H	α-helix	trans	-65.4	-47.5	178.2	-178.8	61.9	0	0	0	111.7	E756 E757 F762 D763 N764 A820 I824	E756-L760 WeakPolarHBondContact O-CB 3.42Å; E756-L760 PolarHBondContact O-N 3Å; E757-L760 PolarHBondContact O-N 3.23Å; L760-F762 VanDerWaalsContact C-N 3.31Å; L760-F762 PolarHBondContact O-N 3.41Å; L760-D763 PolarHBondContact O-N 2.96Å; L760-N764 WeakPolarHBondContact O-CB 3.35Å; L760-N764 VanDerWaalsContact O-CG 3.31Å; L760-N764 PolarHBondContact O-N 3.2Å; L760-A820 HydrophobicContact CD1-CB 4.12Å; L760-I824 HydrophobicContact CB-CD1 4Å
761	I	95.1	Very high	94.4	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-65.5	-35.3	-179.3	-169.6	54.5	0	0	0	111.7	C337 L338 T341 V358 E359 E757 G758 D763 N764 L765 A816	C337-I761 HydrophobicContact CB-CD1 4.16Å; L338-I761 HydrophobicContact CD2-CG1 4.16Å; T341-I761 HydrophobicContact CG2-CB 4.2Å; T341-I761 HydrophobicContact CG2-CG2 4.46Å; T341-I761 WeakPolarHBondContact OG1-CD1 3.33Å; V358-I761 HydrophobicContact CG1-CG2 4.18Å; E359-I761 HydrophobicContact CB-CG2 4.22Å; E757-I761 WeakPolarHBondContact O-CG2 3.49Å; E757-I761 PolarHBondContact O-N 3.01Å; G758-I761 VanDerWaalsContact O-CG2 3.22Å; G758-I761 WeakPolarHBondContact O-CG2 3.19Å; I761-D763 PolarHBondContact O-N 3.16Å; I761-N764 PolarHBondContact O-N 3.08Å; I761-L765 HydrophobicContact CD1-CG 4.12Å; I761-L765 HydrophobicContact CG1-CD1 4.17Å; I761-L765 HydrophobicContact CG1-CG 4.13Å; I761-L765 WeakPolarHBondContact O-CB 3.32Å; I761-L765 VanDerWaalsContact O-CG 3.24Å; I761-L765 WeakPolarHBondContact O-CG 3.49Å; I761-L765 PolarHBondContact O-N 2.98Å; I761-A816 HydrophobicContact CD1-CB 4.46Å
762	F	94.6	Very high	94.5	Very high	10 Å²	10	10.6 Å²	10.6	4%	0.044	5%	0.054	C	C	.	.	H	α-helix	trans	-59.7	-47.9	174.9	-174.6	-97.2	0	0	0	111.8	E359 G758 L760 N764 L765 K766 L837	E359-F762 HydrophobicContact CG-CB 4.24Å; E359-F762 HydrophobicContact CG-CD2 4.06Å; E359-F762 WeakPolarHBondContact OE1-CD2 3.35Å; G758-F762 PolarHBondContact O-N 3.44Å; L760-F762 VanDerWaalsContact C-N 3.31Å; L760-F762 PolarHBondContact O-N 3.41Å; F762-N764 PolarHBondContact O-N 3.15Å; F762-L765 PolarHBondContact O-N 2.9Å; F762-K766 HydrophobicContact CE1-CD 4.37Å; F762-K766 PolarHBondContact O-N 3.15Å; F762-K766 VanDerWaalsContact O-N 3.16Å; F762-L837 HydrophobicContact CD2-CD1 4.03Å; F762-L837 HydrophobicContact CE2-CB 4.04Å; F762-L837 HydrophobicContact CE2-CD1 3.81Å; F762-L837 HydrophobicContact CZ-CB 4.24Å; F762-L837 HydrophobicContact CZ-CD1 4.24Å
763	D	94.5	Very high	94.5	Very high	20 Å²	20	10 Å²	10	11%	0.107	5%	0.051	C	C	.	.	H	α-helix	trans	-65.9	-38	177.5	-71	-37	0	0	0	112.2	R759 L760 I761 K766 K767 R827 R933	R759-D763 PolarHBondContact O-N 3.18Å; L760-D763 PolarHBondContact O-N 2.96Å; I761-D763 PolarHBondContact O-N 3.16Å; D763-K766 WeakPolarHBondContact O-CB 3.18Å; D763-K766 PolarHBondContact O-N 3.16Å; D763-K767 WeakPolarHBondContact O-CG 3.41Å; D763-K767 PolarHBondContact O-N 3.07Å; D763-R827 IonicContact OD1-NH1 3.99Å; D763-R827 IonicContact OD1-NH2 2.78Å; D763-R827 IonicContact OD2-CZ 3.54Å; D763-R827 VanDerWaalsContact OD2-CZ 3.23Å; D763-R827 IonicContact OD2-NH1 3.76Å; D763-R827 PolarHBondContact OD2-NH1 3.33Å; D763-R827 IonicContact OD2-NH2 3.7Å; D763-R827 PolarHBondContact OD2-NH2 3.39Å; D763-R933 VanDerWaalsContact CG-NH1 3.34Å; D763-R933 IonicContact OD1-CZ 3.14Å; D763-R933 IonicContact OD1-NH1 3.61Å; D763-R933 PolarHBondContact OD1-NH1 3.04Å
764	N	95.5	Very high	94.7	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.016	4%	0.04	C	C	.	.	H	α-helix	trans	-72.1	-32.1	178.4	-71.1	-7	0	0	0	112.5	L760 I761 F762 K767 S768 A816 E818	L760-N764 WeakPolarHBondContact O-CB 3.35Å; L760-N764 VanDerWaalsContact O-CG 3.31Å; L760-N764 PolarHBondContact O-N 3.2Å; I761-N764 PolarHBondContact O-N 3.08Å; F762-N764 PolarHBondContact O-N 3.15Å; N764-K767 WeakPolarHBondContact O-CB 3.31Å; N764-K767 PolarHBondContact O-N 3.43Å; N764-S768 WeakPolarHBondContact O-CB 3.31Å; N764-S768 PolarHBondContact O-N 3.27Å; N764-A816 PolarHBondContact ND2-O 3.38Å; N764-E818 PolarHBondContact ND2-O 3.26Å
765	L	94.5	Very high	94.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.3	-39.2	171.8	-76.5	175	0	0	0	111	I278 V334 C337 L338 I761 F762 K767 S768 I769 L837	I278-L765 HydrophobicContact CD1-CD1 4.02Å; V334-L765 HydrophobicContact CB-CD2 4.36Å; V334-L765 HydrophobicContact CG1-CD2 4.13Å; V334-L765 HydrophobicContact CG2-CD2 4.16Å; C337-L765 HydrophobicContact CB-CD2 3.85Å; L338-L765 HydrophobicContact CD2-CD1 4.35Å; I761-L765 HydrophobicContact CD1-CG 4.12Å; I761-L765 HydrophobicContact CG1-CD1 4.17Å; I761-L765 HydrophobicContact CG1-CG 4.13Å; I761-L765 WeakPolarHBondContact O-CB 3.32Å; I761-L765 VanDerWaalsContact O-CG 3.24Å; I761-L765 WeakPolarHBondContact O-CG 3.49Å; I761-L765 PolarHBondContact O-N 2.98Å; F762-L765 PolarHBondContact O-N 2.9Å; L765-K767 VanDerWaalsContact C-N 3.3Å; L765-K767 PolarHBondContact O-N 2.96Å; L765-S768 PolarHBondContact O-N 3.45Å; L765-I769 WeakPolarHBondContact O-CB 3.26Å; L765-I769 WeakPolarHBondContact O-CD1 3.42Å; L765-I769 WeakPolarHBondContact O-CG1 3.34Å; L765-I769 PolarHBondContact O-N 3.05Å; L765-L837 HydrophobicContact CB-CD1 3.95Å
766	K	94.9	Very high	94.7	Very high	8 Å²	8	8.2 Å²	8.2	4%	0.035	4%	0.04	C	C	.	.	H	α-helix	trans	-56.6	-44.9	171.6	-69.3	-167.3	163.4	-167.9	0	112.2	F762 D763 A770 R836 L837 L842 Y1016	F762-K766 HydrophobicContact CE1-CD 4.37Å; F762-K766 PolarHBondContact O-N 3.15Å; F762-K766 VanDerWaalsContact O-N 3.16Å; D763-K766 WeakPolarHBondContact O-CB 3.18Å; D763-K766 PolarHBondContact O-N 3.16Å; K766-A770 VanDerWaalsContact O-CB 3.25Å; K766-A770 WeakPolarHBondContact O-CB 3.34Å; K766-A770 PolarHBondContact O-N 2.76Å; K766-R836 WeakPolarHBondContact CE-O 3.43Å; K766-R836 PolarHBondContact NZ-O 3.41Å; K766-L837 WeakPolarHBondContact CE-O 3.4Å; K766-L837 HydrophobicContact CG-CD1 3.88Å; K766-L837 WeakPolarHBondContact CG-O 3.36Å; K766-L842 HydrophobicContact CB-CD1 4.47Å; K766-Y1016 PolarHBondContact NZ-OXT 3.5Å
767	K	95.1	Very high	94.7	Very high	3 Å²	3	5.3 Å²	5.3	1%	0.013	3%	0.026	C	C	.	.	H	α-helix	trans	-62.5	-47.7	178	-63.8	174	-176.7	-175.1	0	111.4	D763 N764 L765 A770 Y771 L815 E821 C930 K931 R933	D763-K767 WeakPolarHBondContact O-CG 3.41Å; D763-K767 PolarHBondContact O-N 3.07Å; N764-K767 WeakPolarHBondContact O-CB 3.31Å; N764-K767 PolarHBondContact O-N 3.43Å; L765-K767 VanDerWaalsContact C-N 3.3Å; L765-K767 PolarHBondContact O-N 2.96Å; K767-A770 PolarHBondContact O-N 3.05Å; K767-Y771 PolarHBondContact O-N 3.15Å; K767-L815 HydrophobicContact CB-CD1 4.46Å; K767-E821 WeakPolarHBondContact CE-OE1 3.48Å; K767-E821 IonicContact NZ-OE1 2.64Å; K767-E821 PolarHBondContact NZ-OE1 2.97Å; K767-C930 VanDerWaalsContact CB-O 3.29Å; K767-C930 WeakPolarHBondContact CB-O 3.26Å; K767-C930 VanDerWaalsContact CD-O 3.32Å; K767-C930 WeakPolarHBondContact CD-O 3.28Å; K767-C930 WeakPolarHBondContact CG-O 3.49Å; K767-K931 WeakPolarHBondContact CE-O 3.31Å; K767-K931 PolarHBondContact NZ-O 3.11Å; K767-R933 HydrophobicContact CG-CG 4.15Å
768	S	95.6	Very high	94.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62	-46	179.2	-171.6	0	0	0	0	111.8	T333 N764 L765 Y771 T772 A812	T333-S768 WeakPolarHBondContact CG2-OG 3.39Å; N764-S768 WeakPolarHBondContact O-CB 3.31Å; N764-S768 PolarHBondContact O-N 3.27Å; L765-S768 PolarHBondContact O-N 3.45Å; S768-Y771 PolarHBondContact O-N 2.77Å; S768-T772 PolarHBondContact O-N 3.07Å; S768-T772 VanDerWaalsContact O-N 3.15Å; S768-T772 PolarHBondContact O-OG1 2.83Å; S768-A812 PolarHBondContact OG-O 3.19Å
769	I	94.1	Very high	94.8	Very high	2 Å²	2	4.8 Å²	4.8	1%	0.01	2%	0.024	C	C	.	.	H	α-helix	trans	-65.6	-43.6	177	-67.4	161.6	0	0	0	111	F285 L330 L765 Y771 T772 L773 L837 V838	F285-I769 HydrophobicContact CE2-CG2 4.42Å; L330-I769 HydrophobicContact CD1-CB 4.49Å; L330-I769 HydrophobicContact CD1-CG1 3.9Å; L330-I769 HydrophobicContact CD2-CG1 4.32Å; L330-I769 HydrophobicContact CD2-CG2 4.27Å; L765-I769 WeakPolarHBondContact O-CB 3.26Å; L765-I769 WeakPolarHBondContact O-CD1 3.42Å; L765-I769 WeakPolarHBondContact O-CG1 3.34Å; L765-I769 PolarHBondContact O-N 3.05Å; I769-Y771 VanDerWaalsContact C-N 3.35Å; I769-Y771 PolarHBondContact O-N 3.13Å; I769-T772 PolarHBondContact O-N 3.28Å; I769-L773 HydrophobicContact CG2-CD1 3.53Å; I769-L773 HydrophobicContact CG2-CG 3.99Å; I769-L773 VanDerWaalsContact O-CB 3.29Å; I769-L773 WeakPolarHBondContact O-CB 3.37Å; I769-L773 VanDerWaalsContact O-CG 3.24Å; I769-L773 WeakPolarHBondContact O-CG 3.38Å; I769-L773 PolarHBondContact O-N 2.88Å; I769-L837 HydrophobicContact CD1-CD1 4.18Å; I769-L837 HydrophobicContact CD1-CD2 3.51Å; I769-L837 HydrophobicContact CD1-CG 3.72Å; I769-V838 HydrophobicContact CD1-CG2 4.33Å; I769-V838 HydrophobicContact CG2-CG2 3.72Å
770	A	95.1	Very high	94.7	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.008	2%	0.024	C	C	.	.	H	α-helix	trans	-58.1	-47.4	177.4	0	0	0	0	0	111.5	K766 K767 T772 L773 T774 L842 Y1016	K766-A770 VanDerWaalsContact O-CB 3.25Å; K766-A770 WeakPolarHBondContact O-CB 3.34Å; K766-A770 PolarHBondContact O-N 2.76Å; K767-A770 PolarHBondContact O-N 3.05Å; A770-T772 PolarHBondContact O-N 3.41Å; A770-L773 PolarHBondContact O-N 3.44Å; A770-T774 PolarHBondContact O-N 3.23Å; A770-T774 PolarHBondContact O-OG1 3.28Å; A770-L842 HydrophobicContact CB-CD1 4.29Å; A770-L842 HydrophobicContact CB-CD2 4.12Å; A770-L842 HydrophobicContact CB-CG 4.13Å; A770-Y1016 HydrophobicContact CB-CE2 3.97Å
771	Y	95.9	Very high	94.6	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-57.2	-49.3	177.3	169.2	-99.7	0	0	0	112.6	K767 S768 I769 L773 T774 D808 P811 A812 L815 Q923 D926 L927	K767-Y771 PolarHBondContact O-N 3.15Å; S768-Y771 PolarHBondContact O-N 2.77Å; I769-Y771 VanDerWaalsContact C-N 3.35Å; I769-Y771 PolarHBondContact O-N 3.13Å; Y771-L773 VanDerWaalsContact C-N 3.34Å; Y771-L773 PolarHBondContact O-N 2.99Å; Y771-T774 PolarHBondContact O-N 2.97Å; Y771-D808 HydrophobicContact CE1-CB 3.97Å; Y771-P811 HydrophobicContact CE1-CB 3.67Å; Y771-P811 HydrophobicContact CE2-CB 4.46Å; Y771-P811 WeakPolarHBondContact OH-CB 3.23Å; Y771-A812 HydrophobicContact CD1-CB 3.81Å; Y771-A812 HydrophobicContact CE1-CB 4.05Å; Y771-L815 HydrophobicContact CG-CD1 4.21Å; Y771-Q923 HydrophobicContact CE2-CB 4.08Å; Y771-Q923 HydrophobicContact CE2-CG 4.32Å; Y771-Q923 PolarHBondContact O-NE2 2.92Å; Y771-D926 WeakPolarHBondContact CA-OD2 3.33Å; Y771-D926 HydrophobicContact CD2-CB 4.19Å; Y771-D926 WeakPolarHBondContact CD2-OD2 3.27Å; Y771-D926 HydrophobicContact CE2-CB 4.41Å; Y771-L927 HydrophobicContact CD2-CB 4.2Å; Y771-L927 HydrophobicContact CD2-CD1 4.3Å; Y771-L927 HydrophobicContact CE2-CB 3.88Å; Y771-L927 HydrophobicContact CE2-CD1 4.29Å
772	T	94.4	Very high	94.5	Very high	5 Å²	5	4.6 Å²	4.6	3%	0.031	3%	0.025	C	C	.	.	H	α-helix	trans	-67.9	-33.4	178.7	-56.2	0	0	0	0	112.5	P327 L330 S768 I769 A770 S775 N776	P327-T772 HydrophobicContact CB-CG2 4.04Å; L330-T772 HydrophobicContact CB-CG2 4.28Å; L330-T772 HydrophobicContact CD1-CG2 4.28Å; S768-T772 PolarHBondContact O-N 3.07Å; S768-T772 VanDerWaalsContact O-N 3.15Å; S768-T772 PolarHBondContact O-OG1 2.83Å; I769-T772 PolarHBondContact O-N 3.28Å; A770-T772 PolarHBondContact O-N 3.41Å; T772-S775 PolarHBondContact O-OG 3.41Å; T772-N776 PolarHBondContact O-OD1 3.46Å
773	L	93.7	Very high	94.3	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-74	-29.6	178.4	-74.8	-179.5	0	0	0	112.5	F285 I289 P327 I769 A770 Y771 S775 N776 L842 A846 Y847	F285-L773 HydrophobicContact CE2-CD1 3.89Å; F285-L773 HydrophobicContact CE2-CD2 4.07Å; F285-L773 HydrophobicContact CE2-CG 4.46Å; F285-L773 HydrophobicContact CZ-CD2 4.18Å; I289-L773 HydrophobicContact CD1-CD2 4.06Å; P327-L773 HydrophobicContact CG-CD2 4.36Å; I769-L773 HydrophobicContact CG2-CD1 3.53Å; I769-L773 HydrophobicContact CG2-CG 3.99Å; I769-L773 VanDerWaalsContact O-CB 3.29Å; I769-L773 WeakPolarHBondContact O-CB 3.37Å; I769-L773 VanDerWaalsContact O-CG 3.24Å; I769-L773 WeakPolarHBondContact O-CG 3.38Å; I769-L773 PolarHBondContact O-N 2.88Å; A770-L773 PolarHBondContact O-N 3.44Å; Y771-L773 VanDerWaalsContact C-N 3.34Å; Y771-L773 PolarHBondContact O-N 2.99Å; L773-S775 VanDerWaalsContact C-N 3.29Å; L773-S775 PolarHBondContact O-N 3.22Å; L773-N776 PolarHBondContact O-N 3.02Å; L773-L842 HydrophobicContact CD1-CD2 3.82Å; L773-A846 HydrophobicContact CB-CB 4.29Å; L773-Y847 HydrophobicContact CB-CD1 4.3Å; L773-Y847 HydrophobicContact CB-CE1 3.73Å; L773-Y847 HydrophobicContact CD2-CE1 3.98Å; L773-Y847 HydrophobicContact CG-CE1 4.33Å; L773-Y847 WeakPolarHBondContact O-CD1 3.34Å; L773-Y847 WeakPolarHBondContact O-CE1 3.46Å
774	T	95.6	Very high	94.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60.9	-38.6	-179.8	-58.7	0	0	0	0	111.9	A770 Y771 N776 P778 I850 G851 Q854 D926	A770-T774 PolarHBondContact O-N 3.23Å; A770-T774 PolarHBondContact O-OG1 3.28Å; Y771-T774 PolarHBondContact O-N 2.97Å; T774-N776 VanDerWaalsContact C-N 3.33Å; T774-N776 PolarHBondContact O-N 2.88Å; T774-P778 WeakPolarHBondContact O-CD 3.41Å; T774-I850 HydrophobicContact CG2-CB 3.71Å; T774-I850 HydrophobicContact CG2-CG2 3.46Å; T774-I850 VanDerWaalsContact CG2-CG2 3.46Å; T774-G851 WeakPolarHBondContact O-CA 3.46Å; T774-Q854 HydrophobicContact CG2-CG 4.34Å; T774-Q854 PolarHBondContact O-OE1 3.29Å; T774-D926 WeakPolarHBondContact CB-OD2 3.23Å; T774-D926 PolarHBondContact OG1-OD2 3.38Å
775	S	94.7	Very high	94	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-70.9	-20.2	179.9	43.4	0	0	0	0	114.3	T772 L773 I777 P778 E779 D808 Q923	T772-S775 PolarHBondContact O-OG 3.41Å; L773-S775 VanDerWaalsContact C-N 3.29Å; L773-S775 PolarHBondContact O-N 3.22Å; S775-I777 PolarHBondContact O-N 3.24Å; S775-P778 WeakPolarHBondContact O-CD 3.3Å; S775-P778 WeakPolarHBondContact O-CG 3.48Å; S775-E779 VanDerWaalsContact O-CD 3.27Å; S775-E779 VanDerWaalsContact O-CG 3.23Å; S775-E779 WeakPolarHBondContact O-CG 3.35Å; S775-E779 PolarHBondContact O-N 3.46Å; S775-D808 PolarHBondContact OG-OD2 3.47Å; S775-Q923 PolarHBondContact OG-NE2 2.9Å
776	N	93.2	Very high	93.8	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-60	-33	176.7	-67.2	32.1	0	0	0	112.4	N325 T772 L773 T774 E779 I780 Y847	N325-N776 PolarHBondContact O-ND2 2.89Å; N325-N776 VanDerWaalsContact O-ND2 3.13Å; T772-N776 PolarHBondContact O-OD1 3.46Å; L773-N776 PolarHBondContact O-N 3.02Å; T774-N776 VanDerWaalsContact C-N 3.33Å; T774-N776 PolarHBondContact O-N 2.88Å; N776-E779 WeakPolarHBondContact O-CB 3.46Å; N776-E779 PolarHBondContact O-N 3.38Å; N776-I780 HydrophobicContact CB-CD1 4.14Å; N776-I780 WeakPolarHBondContact O-CB 3.4Å; N776-I780 VanDerWaalsContact O-CD1 3.3Å; N776-I780 WeakPolarHBondContact O-CD1 3.29Å; N776-I780 WeakPolarHBondContact O-CG1 3.3Å; N776-I780 PolarHBondContact O-N 3.48Å; N776-Y847 HydrophobicContact CB-CE1 4.14Å; N776-Y847 PolarHBondContact ND2-OH 2.64Å
777	I	94.8	Very high	93.4	Very high	21 Å²	21	7.2 Å²	7.2	11%	0.108	4%	0.038	C	C	.	.	H	α-helix	trans	-68	-50.3	-178.3	-61.1	-60.5	0	0	0	113.7	S775 E779 I780 T781 Y847 G851 A855	S775-I777 PolarHBondContact O-N 3.24Å; I777-E779 PolarHBondContact O-N 3.15Å; I777-E779 VanDerWaalsContact O-N 3.15Å; I777-I780 PolarHBondContact O-N 3.41Å; I777-T781 HydrophobicContact CG2-CG2 3.91Å; I777-T781 WeakPolarHBondContact O-CB 3.13Å; I777-T781 WeakPolarHBondContact O-CG2 3.04Å; I777-T781 PolarHBondContact O-N 3.45Å; I777-T781 PolarHBondContact O-OG1 2.94Å; I777-Y847 HydrophobicContact CD1-CD1 4.26Å; I777-Y847 HydrophobicContact CD1-CD2 3.89Å; I777-Y847 HydrophobicContact CD1-CE2 4.49Å; I777-Y847 HydrophobicContact CD1-CG 3.74Å; I777-Y847 HydrophobicContact CG1-CD1 4.16Å; I777-Y847 HydrophobicContact CG1-CG 4.03Å; I777-Y847 WeakPolarHBondContact CG1-O 3.35Å; I777-G851 WeakPolarHBondContact CG2-O 3.24Å; I777-A855 HydrophobicContact CG2-CB 4.19Å
778	P	95.6	Very high	93	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.2	-13.1	171.8	24.5	-34	0	0	0	113.3	T774 S775 P782 Q854 A855 F915 I919	T774-P778 WeakPolarHBondContact O-CD 3.41Å; S775-P778 WeakPolarHBondContact O-CD 3.3Å; S775-P778 WeakPolarHBondContact O-CG 3.48Å; P778-P782 WeakPolarHBondContact O-CD 3.17Å; P778-P782 WeakPolarHBondContact O-CG 3.16Å; P778-Q854 HydrophobicContact CB-CB 4.21Å; P778-Q854 HydrophobicContact CG-CB 3.8Å; P778-A855 HydrophobicContact CB-CB 4.29Å; P778-F915 HydrophobicContact CB-CE1 4.19Å; P778-F915 WeakPolarHBondContact O-CE1 3.29Å; P778-I919 HydrophobicContact CB-CD1 4.06Å; P778-I919 HydrophobicContact CB-CG1 4.01Å; P778-I919 HydrophobicContact CG-CD1 4.37Å; P778-I919 HydrophobicContact CG-CG1 4.27Å
779	E	93.9	Very high	92.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-92.1	-38.6	176	-65.9	167	-175	0	0	113.6	S775 N776 I777 P782 L795 I800 I803 I919	S775-E779 VanDerWaalsContact O-CD 3.27Å; S775-E779 VanDerWaalsContact O-CG 3.23Å; S775-E779 WeakPolarHBondContact O-CG 3.35Å; S775-E779 PolarHBondContact O-N 3.46Å; N776-E779 WeakPolarHBondContact O-CB 3.46Å; N776-E779 PolarHBondContact O-N 3.38Å; I777-E779 PolarHBondContact O-N 3.15Å; I777-E779 VanDerWaalsContact O-N 3.15Å; E779-P782 WeakPolarHBondContact O-CD 3.43Å; E779-L795 HydrophobicContact CB-CD2 4.3Å; E779-L795 HydrophobicContact CG-CD2 4Å; E779-I800 HydrophobicContact CB-CD1 4.05Å; E779-I800 HydrophobicContact CB-CG1 4.03Å; E779-I800 HydrophobicContact CG-CG1 4.06Å; E779-I800 HydrophobicContact CG-CG2 4.42Å; E779-I803 HydrophobicContact CG-CD1 4.35Å; E779-I803 VanDerWaalsContact OE1-CG2 3.29Å; E779-I803 WeakPolarHBondContact OE1-CG2 3.28Å; E779-I919 HydrophobicContact CG-CD1 4.27Å
780	I	92.7	Very high	92.4	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-72.3	-47	176.9	-65.5	159	0	0	0	110.7	A324 N325 N776 I777 F783 L784	A324-I780 HydrophobicContact CB-CG1 3.82Å; A324-I780 VanDerWaalsContact O-CG1 3.26Å; A324-I780 WeakPolarHBondContact O-CG1 3.25Å; N325-I780 HydrophobicContact CB-CD1 4.35Å; N325-I780 VanDerWaalsContact CG-CD1 3.41Å; N325-I780 WeakPolarHBondContact ND2-CD1 3.32Å; N325-I780 VanDerWaalsContact OD1-CD1 3.23Å; N325-I780 WeakPolarHBondContact OD1-CD1 3.14Å; N776-I780 HydrophobicContact CB-CD1 4.14Å; N776-I780 WeakPolarHBondContact O-CB 3.4Å; N776-I780 VanDerWaalsContact O-CD1 3.3Å; N776-I780 WeakPolarHBondContact O-CD1 3.29Å; N776-I780 WeakPolarHBondContact O-CG1 3.3Å; N776-I780 PolarHBondContact O-N 3.48Å; I777-I780 PolarHBondContact O-N 3.41Å; I780-F783 PolarHBondContact O-N 2.89Å; I780-L784 HydrophobicContact CG2-CD1 3.95Å; I780-L784 HydrophobicContact CG2-CD2 4.05Å; I780-L784 HydrophobicContact CG2-CG 3.92Å; I780-L784 WeakPolarHBondContact O-CG 3.26Å; I780-L784 PolarHBondContact O-N 3.14Å
781	T	93.6	Very high	92.3	Very high	20 Å²	20	15.5 Å²	15.5	12%	0.123	9%	0.088	C	C	.	.	H	α-helix	trans	-59.2	-34.9	-172.3	53.7	0	0	0	0	114.5	I777 F783 L784 V785 A855	I777-T781 HydrophobicContact CG2-CG2 3.91Å; I777-T781 WeakPolarHBondContact O-CB 3.13Å; I777-T781 WeakPolarHBondContact O-CG2 3.04Å; I777-T781 PolarHBondContact O-N 3.45Å; I777-T781 PolarHBondContact O-OG1 2.94Å; T781-F783 VanDerWaalsContact C-N 3.32Å; T781-F783 PolarHBondContact O-N 2.92Å; T781-L784 PolarHBondContact O-N 3.18Å; T781-L784 VanDerWaalsContact O-N 3.17Å; T781-V785 WeakPolarHBondContact O-CG2 3.37Å; T781-V785 PolarHBondContact O-N 2.84Å; T781-A855 HydrophobicContact CG2-CB 4.33Å; T781-A855 WeakPolarHBondContact OG1-CB 3.3Å
782	P	93	Very high	92.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-50.3	-45.8	168.2	-32.9	36.8	0	0	0	114.2	P778 E779 Y786 P794 L795 F915	P778-P782 WeakPolarHBondContact O-CD 3.17Å; P778-P782 WeakPolarHBondContact O-CG 3.16Å; E779-P782 WeakPolarHBondContact O-CD 3.43Å; P782-Y786 WeakPolarHBondContact O-CB 3.34Å; P782-Y786 PolarHBondContact O-N 2.86Å; P782-P794 HydrophobicContact CB-CB 4.07Å; P782-P794 HydrophobicContact CB-CG 4.14Å; P782-L795 HydrophobicContact CB-CB 3.76Å; P782-L795 HydrophobicContact CG-CB 3.65Å; P782-L795 HydrophobicContact CG-CD2 4.33Å; P782-F915 HydrophobicContact CG-CE1 4.04Å; P782-F915 HydrophobicContact CG-CE2 4.16Å; P782-F915 HydrophobicContact CG-CZ 3.7Å
783	F	90.3	Very high	92	Very high	12 Å²	12	16.6 Å²	16.6	5%	0.053	9%	0.093	C	C	.	.	H	α-helix	trans	-68.4	-40.4	177.8	-76.8	-87.6	0	0	0	111.4	I321 I780 T781 V785 Y786 I787 L793 I800	I321-F783 HydrophobicContact CG1-CB 4.17Å; I780-F783 PolarHBondContact O-N 2.89Å; T781-F783 VanDerWaalsContact C-N 3.32Å; T781-F783 PolarHBondContact O-N 2.92Å; F783-V785 PolarHBondContact O-N 3.28Å; F783-Y786 PolarHBondContact O-N 3.22Å; F783-I787 WeakPolarHBondContact O-CD1 3.42Å; F783-I787 VanDerWaalsContact O-CG1 3.23Å; F783-I787 WeakPolarHBondContact O-CG1 3.46Å; F783-I787 PolarHBondContact O-N 3.31Å; F783-L793 HydrophobicContact CD1-CD1 4.25Å; F783-L793 HydrophobicContact CE1-CD1 4.14Å; F783-L793 HydrophobicContact CZ-CD1 4.4Å; F783-I800 HydrophobicContact CD2-CD1 4.42Å; F783-I800 HydrophobicContact CE2-CD1 3.68Å
784	L	90.9	Very high	91.9	Very high	36 Å²	36	16.6 Å²	16.6	19%	0.188	9%	0.093	C	C	.	.	H	α-helix	trans	-62.9	-43.3	178.7	-51.8	-169.8	0	0	0	111.5	F300 I321 I780 T781 I787 G788	F300-L784 HydrophobicContact CD1-CD2 3.8Å; F300-L784 HydrophobicContact CD2-CD2 3.73Å; F300-L784 HydrophobicContact CE1-CB 3.8Å; F300-L784 HydrophobicContact CE1-CD2 3.68Å; F300-L784 HydrophobicContact CE1-CG 4.17Å; F300-L784 HydrophobicContact CE2-CD1 4.04Å; F300-L784 HydrophobicContact CE2-CD2 3.61Å; F300-L784 HydrophobicContact CE2-CG 4.3Å; F300-L784 HydrophobicContact CG-CD2 3.83Å; F300-L784 HydrophobicContact CZ-CB 3.9Å; F300-L784 HydrophobicContact CZ-CD1 3.83Å; F300-L784 HydrophobicContact CZ-CD2 3.59Å; F300-L784 HydrophobicContact CZ-CG 3.94Å; I321-L784 HydrophobicContact CD1-CD2 3.97Å; I321-L784 HydrophobicContact CG1-CD2 4.25Å; I780-L784 HydrophobicContact CG2-CD1 3.95Å; I780-L784 HydrophobicContact CG2-CD2 4.05Å; I780-L784 HydrophobicContact CG2-CG 3.92Å; I780-L784 WeakPolarHBondContact O-CG 3.26Å; I780-L784 PolarHBondContact O-N 3.14Å; T781-L784 PolarHBondContact O-N 3.18Å; T781-L784 VanDerWaalsContact O-N 3.17Å; L784-I787 PolarHBondContact O-N 3.31Å; L784-G788 PolarHBondContact O-N 2.84Å
785	V	91.7	Very high	91.8	Very high	25 Å²	25	16.6 Å²	16.6	15%	0.152	9%	0.093	C	C	.	.	H	α-helix	trans	-70.9	-38.4	178.1	166.8	0	0	0	0	111.6	T781 F783 I787 F789 L791 F859	T781-V785 WeakPolarHBondContact O-CG2 3.37Å; T781-V785 PolarHBondContact O-N 2.84Å; F783-V785 PolarHBondContact O-N 3.28Å; V785-I787 VanDerWaalsContact C-N 3.32Å; V785-I787 PolarHBondContact O-N 3.05Å; V785-F789 HydrophobicContact CB-CD2 4.3Å; V785-F789 HydrophobicContact CG1-CD2 3.98Å; V785-F789 HydrophobicContact CG2-CD2 4.17Å; V785-F789 HydrophobicContact CG2-CE2 4.39Å; V785-F789 WeakPolarHBondContact O-CB 3.44Å; V785-F789 PolarHBondContact O-N 2.77Å; V785-L791 HydrophobicContact CG1-CB 4.43Å; V785-L791 HydrophobicContact CG1-CD1 3.34Å; V785-L791 HydrophobicContact CG1-CG 3.86Å; V785-F859 HydrophobicContact CB-CE1 3.84Å; V785-F859 HydrophobicContact CB-CZ 3.7Å; V785-F859 HydrophobicContact CG1-CE1 3.73Å; V785-F859 HydrophobicContact CG1-CZ 4.13Å; V785-F859 HydrophobicContact CG2-CE1 3.9Å; V785-F859 HydrophobicContact CG2-CE2 4.14Å; V785-F859 HydrophobicContact CG2-CZ 3.45Å; V785-F859 VanDerWaalsContact CG2-CZ 3.45Å
786	Y	90.4	Very high	91.4	Very high	22 Å²	22	16.9 Å²	16.9	9%	0.086	10%	0.096	C	C	.	.	H	α-helix	trans	-56.8	-44.9	173.4	174.9	-99.6	0	0	0	111.6	F317 P782 F783 G790 L791 L793 R880 D884	F317-Y786 HydrophobicContact CD1-CE1 4.22Å; F317-Y786 HydrophobicContact CE1-CD1 4.14Å; F317-Y786 AromaticContact CE1-CE1 3.44Å; F317-Y786 HydrophobicContact CE1-CE1 3.44Å; F317-Y786 VanDerWaalsContact CE1-CE1 3.44Å; F317-Y786 HydrophobicContact CZ-CD1 4.45Å; F317-Y786 AromaticContact CZ-CE1 3.74Å; F317-Y786 HydrophobicContact CZ-CE1 3.74Å; P782-Y786 WeakPolarHBondContact O-CB 3.34Å; P782-Y786 PolarHBondContact O-N 2.86Å; F783-Y786 PolarHBondContact O-N 3.22Å; Y786-G790 VanDerWaalsContact O-CA 3.3Å; Y786-G790 WeakPolarHBondContact O-CA 3.37Å; Y786-G790 PolarHBondContact O-N 2.96Å; Y786-L791 WeakPolarHBondContact CD2-O 3.36Å; Y786-L791 WeakPolarHBondContact CE2-O 3.44Å; Y786-L793 HydrophobicContact CD1-CD1 4.31Å; Y786-L793 HydrophobicContact CD2-CB 3.78Å; Y786-L793 HydrophobicContact CD2-CD1 4Å; Y786-L793 HydrophobicContact CE2-CB 3.93Å; Y786-L793 HydrophobicContact CG-CB 4.5Å; Y786-L793 HydrophobicContact CG-CD1 3.85Å; Y786-R880 HydrophobicContact CD2-CG 4.43Å; Y786-R880 VanDerWaalsContact CE2-CD 3.47Å; Y786-R880 HydrophobicContact CE2-CG 3.65Å; Y786-R880 PolarHBondContact OH-NH1 3.24Å; Y786-R880 VanDerWaalsContact OH-NH1 3.12Å; Y786-D884 PolarHBondContact OH-OD2 2.96Å
787	I	87.5	Confident	90.9	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-75.5	-50.5	179.5	-60.9	162.1	0	0	0	111.5	F300 A304 L307 Y309 F317 I321 F783 L784 V785	F300-I787 HydrophobicContact CD1-CD1 4.37Å; A304-I787 HydrophobicContact CB-CG2 4.33Å; L307-I787 HydrophobicContact CD1-CG2 4.45Å; Y309-I787 HydrophobicContact CE2-CG2 4.48Å; Y309-I787 PolarHBondContact OH-O 3.24Å; F317-I787 HydrophobicContact CB-CD1 3.64Å; F317-I787 HydrophobicContact CB-CG1 4.28Å; F317-I787 HydrophobicContact CD1-CG1 4.39Å; F317-I787 HydrophobicContact CD2-CD1 3.87Å; F317-I787 HydrophobicContact CD2-CG1 3.65Å; F317-I787 HydrophobicContact CD2-CG2 4.49Å; F317-I787 HydrophobicContact CE2-CG1 4.05Å; F317-I787 HydrophobicContact CG-CD1 3.77Å; F317-I787 HydrophobicContact CG-CG1 3.84Å; I321-I787 HydrophobicContact CD1-CD1 3.94Å; F783-I787 WeakPolarHBondContact O-CD1 3.42Å; F783-I787 VanDerWaalsContact O-CG1 3.23Å; F783-I787 WeakPolarHBondContact O-CG1 3.46Å; F783-I787 PolarHBondContact O-N 3.31Å; L784-I787 PolarHBondContact O-N 3.31Å; V785-I787 VanDerWaalsContact C-N 3.32Å; V785-I787 PolarHBondContact O-N 3.05Å
788	G	87	Confident	90.5	Very high	41 Å²	41	19.8 Å²	19.8	42%	0.423	11%	0.113	S	C	.	.	H	α-helix	trans	-73.7	-39.3	-170	0	0	0	0	0	114	L784	L784-G788 PolarHBondContact O-N 2.84Å
789	F	89.3	Confident	90.2	Very high	126 Å²	126	19.9 Å²	19.9	55%	0.553	11%	0.113	S	C	*	.	H	α-helix	trans	-106.4	-5.6	-178	-64.7	-68.2	0	0	0	113.7	V785 L791 L877 G878	V785-F789 HydrophobicContact CB-CD2 4.3Å; V785-F789 HydrophobicContact CG1-CD2 3.98Å; V785-F789 HydrophobicContact CG2-CD2 4.17Å; V785-F789 HydrophobicContact CG2-CE2 4.39Å; V785-F789 WeakPolarHBondContact O-CB 3.44Å; V785-F789 PolarHBondContact O-N 2.77Å; F789-L791 VanDerWaalsContact C-N 3.32Å; F789-L791 HydrophobicContact CB-CD2 4.2Å; F789-L791 HydrophobicContact CB-CG 4Å; F789-L791 PolarHBondContact O-N 3.28Å; F789-L877 HydrophobicContact CB-CD2 4.04Å; F789-L877 HydrophobicContact CD1-CD2 4.15Å; F789-L877 HydrophobicContact CG-CD2 4.38Å; F789-G878 PolarHBondContact O-N 3.41Å
790	G	88.4	Confident	90.1	Very high	8 Å²	8	19.9 Å²	19.9	8%	0.082	11%	0.113	C	C	.	.			trans	61.8	39.8	-179.6	0	0	0	0	0	112.7	Y786 G878 I879 R880	Y786-G790 VanDerWaalsContact O-CA 3.3Å; Y786-G790 WeakPolarHBondContact O-CA 3.37Å; Y786-G790 PolarHBondContact O-N 2.96Å; G790-G878 CarbonylContact O-C 3.59Å; G790-G878 WeakPolarHBondContact O-CA 3.01Å; G790-G878 PolarHBondContact O-N 3.17Å; G790-I879 PolarHBondContact O-N 2.8Å; G790-R880 WeakPolarHBondContact O-CB 3.36Å; G790-R880 PolarHBondContact O-N 3.26Å
791	L	91.7	Very high	89.9	Confident	4 Å²	4	20.5 Å²	20.5	2%	0.021	12%	0.117	C	C	.	.			trans	-82	163	173.4	-55.6	-165.5	0	0	0	110.8	V785 Y786 F789 Y862 F863 L876 L877	V785-L791 HydrophobicContact CG1-CB 4.43Å; V785-L791 HydrophobicContact CG1-CD1 3.34Å; V785-L791 HydrophobicContact CG1-CG 3.86Å; Y786-L791 WeakPolarHBondContact CD2-O 3.36Å; Y786-L791 WeakPolarHBondContact CE2-O 3.44Å; F789-L791 VanDerWaalsContact C-N 3.32Å; F789-L791 HydrophobicContact CB-CD2 4.2Å; F789-L791 HydrophobicContact CB-CG 4Å; F789-L791 PolarHBondContact O-N 3.28Å; L791-Y862 HydrophobicContact CD1-CE1 4.31Å; L791-F863 HydrophobicContact CD1-CE1 4.13Å; L791-F863 HydrophobicContact CD1-CZ 4.02Å; L791-L876 VanDerWaalsContact CD2-C 3.48Å; L791-L876 HydrophobicContact CD2-CB 3.89Å; L791-L876 WeakPolarHBondContact CD2-O 3.37Å; L791-L877 HydrophobicContact CD2-CD2 4.03Å
792	P	92.3	Very high	89.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.			trans	-57.2	149.8	160.2	-23.9	34.6	0	0	0	111.6	P794 Y862 M866 L876 I879 W883	P792-P794 WeakPolarHBondContact O-CD 3.31Å; P792-Y862 VanDerWaalsContact CD-OH 3.28Å; P792-Y862 WeakPolarHBondContact CD-OH 3.37Å; P792-Y862 PolarHBondContact O-OH 3.25Å; P792-M866 HydrophobicContact CB-CE 3.89Å; P792-M866 HydrophobicContact CG-CE 4.03Å; P792-L876 HydrophobicContact CG-CD2 4.21Å; P792-I879 HydrophobicContact CG-CG2 3.82Å; P792-W883 HydrophobicContact CB-CD2 4.02Å; P792-W883 HydrophobicContact CB-CG 4.13Å; P792-W883 HydrophobicContact CB-CZ2 4.2Å; P792-W883 HydrophobicContact CG-CB 4.47Å; P792-W883 HydrophobicContact CG-CD2 3.54Å; P792-W883 HydrophobicContact CG-CE3 3.8Å; P792-W883 HydrophobicContact CG-CG 3.83Å; P792-W883 HydrophobicContact CG-CH2 4.38Å; P792-W883 HydrophobicContact CG-CZ2 4.18Å; P792-W883 HydrophobicContact CG-CZ3 4.21Å
793	L	91.1	Very high	89.8	Confident	28 Å²	28	20.4 Å²	20.4	15%	0.147	12%	0.116	C	C	.	.			trans	-67.1	111.5	-173.3	-175.8	64.6	0	0	0	111	F783 Y786 L795 Q912	F783-L793 HydrophobicContact CD1-CD1 4.25Å; F783-L793 HydrophobicContact CE1-CD1 4.14Å; F783-L793 HydrophobicContact CZ-CD1 4.4Å; Y786-L793 HydrophobicContact CD1-CD1 4.31Å; Y786-L793 HydrophobicContact CD2-CB 3.78Å; Y786-L793 HydrophobicContact CD2-CD1 4Å; Y786-L793 HydrophobicContact CE2-CB 3.93Å; Y786-L793 HydrophobicContact CG-CB 4.5Å; Y786-L793 HydrophobicContact CG-CD1 3.85Å; L793-L795 WeakPolarHBondContact CD1-O 3.36Å; L793-L795 VanDerWaalsContact CG-O 3.29Å; L793-L795 WeakPolarHBondContact CG-O 3.32Å; L793-Q912 PolarHBondContact O-NE2 2.68Å
794	P	93	Very high	89.8	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-70.6	-35.7	-173.8	-18.7	32.4	0	0	0	113.5	P782 P792 F859 Y862 Q912 F915	P782-P794 HydrophobicContact CB-CB 4.07Å; P782-P794 HydrophobicContact CB-CG 4.14Å; P792-P794 WeakPolarHBondContact O-CD 3.31Å; P794-F859 HydrophobicContact CB-CE1 4.3Å; P794-F859 HydrophobicContact CG-CE1 3.85Å; P794-Y862 HydrophobicContact CB-CD2 3.77Å; P794-Y862 HydrophobicContact CB-CE2 4.02Å; P794-Y862 HydrophobicContact CB-CG 4.2Å; P794-Y862 HydrophobicContact CG-CD2 4.37Å; P794-Y862 HydrophobicContact CG-CE2 4.22Å; P794-Q912 VanDerWaalsContact O-CA 3.32Å; P794-Q912 WeakPolarHBondContact O-CA 3.43Å; P794-F915 HydrophobicContact CB-CD2 3.89Å; P794-F915 HydrophobicContact CB-CE2 4Å
795	L	92.2	Very high	89.8	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-137.6	134.2	-179.5	-168.6	71.5	0	0	0	109.3	E779 P782 L793 T799 I800 F915 F916 I919	E779-L795 HydrophobicContact CB-CD2 4.3Å; E779-L795 HydrophobicContact CG-CD2 4Å; P782-L795 HydrophobicContact CB-CB 3.76Å; P782-L795 HydrophobicContact CG-CB 3.65Å; P782-L795 HydrophobicContact CG-CD2 4.33Å; L793-L795 WeakPolarHBondContact CD1-O 3.36Å; L793-L795 VanDerWaalsContact CG-O 3.29Å; L793-L795 WeakPolarHBondContact CG-O 3.32Å; L795-T799 WeakPolarHBondContact CD1-OG1 3.45Å; L795-T799 WeakPolarHBondContact CG-OG1 3.3Å; L795-I800 HydrophobicContact CD2-CD1 4.3Å; L795-I800 HydrophobicContact CD2-CG1 3.65Å; L795-I800 HydrophobicContact CG-CG1 4.15Å; L795-F915 HydrophobicContact CB-CD1 4.21Å; L795-F915 HydrophobicContact CB-CG 4.35Å; L795-F915 HydrophobicContact CD1-CB 4.02Å; L795-F915 HydrophobicContact CD1-CD1 3.91Å; L795-F915 HydrophobicContact CD1-CG 4.24Å; L795-F915 HydrophobicContact CD2-CD1 4.22Å; L795-F915 HydrophobicContact CD2-CE1 4.42Å; L795-F915 HydrophobicContact CG-CD1 4.34Å; L795-F916 HydrophobicContact CD1-CB 4.36Å; L795-I919 HydrophobicContact CD2-CD1 3.91Å
796	G	86.5	Confident	89.8	Confident	6 Å²	6	20.7 Å²	20.7	6%	0.062	12%	0.122	C	C	.	.			trans	-94.7	162.3	-178.4	0	0	0	0	0	113.1	I798 T799 I800	G796-I798 VanDerWaalsContact C-N 3.32Å; G796-I798 PolarHBondContact O-N 3.31Å; G796-T799 PolarHBondContact N-OG1 3.48Å; G796-T799 PolarHBondContact O-N 3.12Å; G796-T799 PolarHBondContact O-OG1 3.32Å; G796-I800 WeakPolarHBondContact O-CG1 3.39Å; G796-I800 PolarHBondContact O-N 2.84Å; G796-I800 VanDerWaalsContact O-N 3.11Å
797	T	84.2	Confident	90	Very high	28 Å²	28	19.7 Å²	19.7	17%	0.172	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-35.3	178.2	-44.1	0	0	0	0	113	L126 V323 T799 I800 L801	L126-T797 HydrophobicContact CD1-CG2 3.52Å; L126-T797 HydrophobicContact CD2-CG2 3.86Å; L126-T797 HydrophobicContact CG-CG2 4.36Å; V323-T797 HydrophobicContact CG1-CG2 3.84Å; T797-T799 VanDerWaalsContact C-N 3.31Å; T797-T799 PolarHBondContact O-N 2.86Å; T797-I800 PolarHBondContact O-N 2.99Å; T797-L801 WeakPolarHBondContact O-CG 3.43Å; T797-L801 PolarHBondContact O-N 3.31Å; T797-L801 VanDerWaalsContact O-N 3.16Å
798	I	85.7	Confident	90.3	Very high	54 Å²	54	19.8 Å²	19.8	28%	0.277	12%	0.118	S	C	.	.	H	α-helix	trans	-65.5	-38.2	176.2	-61.7	174.6	0	0	0	110.7	G796 I800 L801 C802 L971	G796-I798 VanDerWaalsContact C-N 3.32Å; G796-I798 PolarHBondContact O-N 3.31Å; I798-I800 VanDerWaalsContact C-N 3.34Å; I798-L801 PolarHBondContact O-N 3.03Å; I798-C802 PolarHBondContact O-N 3.33Å; I798-C802 VanDerWaalsContact O-N 3.16Å; I798-C802 PolarHBondContact O-SG 2.65Å; I798-C802 VanDerWaalsContact O-SG 3.37Å; I798-L971 HydrophobicContact CG2-CB 4.25Å; I798-L971 HydrophobicContact CG2-CD2 3.72Å
799	T	90	Very high	90.5	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-70.6	-31.3	179.2	56	0	0	0	0	112.1	L795 G796 T797 C802 I803 Q912 M973	L795-T799 WeakPolarHBondContact CD1-OG1 3.45Å; L795-T799 WeakPolarHBondContact CG-OG1 3.3Å; G796-T799 PolarHBondContact N-OG1 3.48Å; G796-T799 PolarHBondContact O-N 3.12Å; G796-T799 PolarHBondContact O-OG1 3.32Å; T797-T799 VanDerWaalsContact C-N 3.31Å; T797-T799 PolarHBondContact O-N 2.86Å; T799-C802 WeakPolarHBondContact O-CB 3.35Å; T799-C802 PolarHBondContact O-N 2.81Å; T799-I803 WeakPolarHBondContact O-CG1 3.49Å; T799-I803 PolarHBondContact O-N 3.44Å; T799-Q912 HydrophobicContact CG2-CB 4.19Å; T799-M973 HydrophobicContact CG2-CE 3.41Å; T799-M973 VanDerWaalsContact CG2-CE 3.41Å; T799-M973 HydrophobicContact CG2-SD 3.74Å
800	I	90.7	Very high	90.8	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-61.9	-51.2	171	-68.3	172.5	0	0	0	110.3	A324 E779 F783 L795 G796 T797 I798 C802 I803 D804	A324-I800 HydrophobicContact CB-CD1 3.97Å; E779-I800 HydrophobicContact CB-CD1 4.05Å; E779-I800 HydrophobicContact CB-CG1 4.03Å; E779-I800 HydrophobicContact CG-CG1 4.06Å; E779-I800 HydrophobicContact CG-CG2 4.42Å; F783-I800 HydrophobicContact CD2-CD1 4.42Å; F783-I800 HydrophobicContact CE2-CD1 3.68Å; L795-I800 HydrophobicContact CD2-CD1 4.3Å; L795-I800 HydrophobicContact CD2-CG1 3.65Å; L795-I800 HydrophobicContact CG-CG1 4.15Å; G796-I800 WeakPolarHBondContact O-CG1 3.39Å; G796-I800 PolarHBondContact O-N 2.84Å; G796-I800 VanDerWaalsContact O-N 3.11Å; T797-I800 PolarHBondContact O-N 2.99Å; I798-I800 VanDerWaalsContact C-N 3.34Å; I800-C802 PolarHBondContact O-N 2.85Å; I800-C802 VanDerWaalsContact O-N 3.12Å; I800-I803 WeakPolarHBondContact O-CA 3.29Å; I800-I803 WeakPolarHBondContact O-CB 3.32Å; I800-I803 PolarHBondContact O-N 2.93Å; I800-D804 VanDerWaalsContact CG2-OD2 3.27Å; I800-D804 WeakPolarHBondContact CG2-OD2 3.2Å; I800-D804 PolarHBondContact O-N 2.85Å; I800-D804 VanDerWaalsContact O-N 3.09Å
801	L	87.9	Confident	91.1	Very high	17 Å²	17	17 Å²	17	9%	0.089	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-29.8	178.4	-65.6	171.7	0	0	0	113.4	L126 V129 T797 I798 I803 L805	L126-L801 HydrophobicContact CD1-CD1 3.99Å; V129-L801 HydrophobicContact CG1-CD1 3.73Å; T797-L801 WeakPolarHBondContact O-CG 3.43Å; T797-L801 PolarHBondContact O-N 3.31Å; T797-L801 VanDerWaalsContact O-N 3.16Å; I798-L801 PolarHBondContact O-N 3.03Å; L801-I803 VanDerWaalsContact C-N 3.26Å; L801-I803 PolarHBondContact O-N 2.95Å; L801-L805 HydrophobicContact CD2-CD1 4.19Å; L801-L805 WeakPolarHBondContact O-CB 3.48Å; L801-L805 PolarHBondContact O-N 2.74Å; L801-L805 VanDerWaalsContact O-N 3.12Å
802	C	91.5	Very high	91.3	Very high	17 Å²	17	16.8 Å²	16.8	12%	0.115	10%	0.095	C	C	.	.	H	α-helix	trans	-67.8	-25	172.7	-71.1	0	0	0	0	113.2	I798 T799 I800 G806 T807 F916 L961 M973	I798-C802 PolarHBondContact O-N 3.33Å; I798-C802 VanDerWaalsContact O-N 3.16Å; I798-C802 PolarHBondContact O-SG 2.65Å; I798-C802 VanDerWaalsContact O-SG 3.37Å; T799-C802 WeakPolarHBondContact O-CB 3.35Å; T799-C802 PolarHBondContact O-N 2.81Å; I800-C802 PolarHBondContact O-N 2.85Å; I800-C802 VanDerWaalsContact O-N 3.12Å; C802-G806 WeakPolarHBondContact O-CA 3.38Å; C802-G806 PolarHBondContact O-N 3.15Å; C802-T807 PolarHBondContact O-N 3.11Å; C802-F916 HydrophobicContact CB-CE2 4.01Å; C802-L961 HydrophobicContact CB-CD1 4.24Å; C802-M973 HydrophobicContact CB-CE 4.25Å
803	I	92.8	Very high	91.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	I	π-helix	trans	-79	-63.4	175.7	-61	163.7	0	0	0	108.6	E779 T799 I800 L801 L805 G806 T807 D808 F916 I919	E779-I803 HydrophobicContact CG-CD1 4.35Å; E779-I803 VanDerWaalsContact OE1-CG2 3.29Å; E779-I803 WeakPolarHBondContact OE1-CG2 3.28Å; T799-I803 WeakPolarHBondContact O-CG1 3.49Å; T799-I803 PolarHBondContact O-N 3.44Å; I800-I803 WeakPolarHBondContact O-CA 3.29Å; I800-I803 WeakPolarHBondContact O-CB 3.32Å; I800-I803 PolarHBondContact O-N 2.93Å; L801-I803 VanDerWaalsContact C-N 3.26Å; L801-I803 PolarHBondContact O-N 2.95Å; I803-L805 PolarHBondContact O-N 2.75Å; I803-G806 PolarHBondContact O-N 3.45Å; I803-T807 WeakPolarHBondContact CA-OG1 3.38Å; I803-T807 PolarHBondContact O-N 3.01Å; I803-T807 PolarHBondContact O-OG1 3.38Å; I803-D808 HydrophobicContact CG2-CB 4.48Å; I803-D808 WeakPolarHBondContact CG2-OD2 3.27Å; I803-D808 PolarHBondContact O-N 2.75Å; I803-F916 HydrophobicContact CD1-CD2 3.95Å; I803-F916 HydrophobicContact CG1-CD2 3.49Å; I803-F916 VanDerWaalsContact CG1-CD2 3.49Å; I803-F916 HydrophobicContact CG1-CE2 3.65Å; I803-I919 HydrophobicContact CD1-CB 4.25Å; I803-I919 HydrophobicContact CD1-CD1 3.47Å; I803-I919 VanDerWaalsContact CD1-CD1 3.47Å; I803-I919 HydrophobicContact CD1-CG1 4.45Å; I803-I919 HydrophobicContact CD1-CG2 4.1Å; I803-I919 HydrophobicContact CG2-CG2 4.29Å
804	D	91.2	Very high	91.7	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.027	10%	0.098	C	C	.	.	I	π-helix	trans	-61.4	-39.8	-172.5	-69.5	-55.2	0	0	0	114.4	I800 M809	I800-D804 VanDerWaalsContact CG2-OD2 3.27Å; I800-D804 WeakPolarHBondContact CG2-OD2 3.2Å; I800-D804 PolarHBondContact O-N 2.85Å; I800-D804 VanDerWaalsContact O-N 3.09Å; D804-M809 WeakPolarHBondContact O-CG 3.41Å
805	L	90	Very high	91.8	Very high	57 Å²	57	17.3 Å²	17.3	30%	0.298	10%	0.098	S	C	.	.	I	π-helix	trans	-104.9	3.1	-177.1	-58.7	171.8	0	0	0	112.8	V133 E328 L801 I803 M809	V133-L805 HydrophobicContact CG2-CD1 3.45Å; V133-L805 VanDerWaalsContact CG2-CD1 3.45Å; E328-L805 HydrophobicContact CB-CD1 4.5Å; E328-L805 HydrophobicContact CB-CD2 3.94Å; E328-L805 HydrophobicContact CB-CG 4.3Å; L801-L805 HydrophobicContact CD2-CD1 4.19Å; L801-L805 WeakPolarHBondContact O-CB 3.48Å; L801-L805 PolarHBondContact O-N 2.74Å; L801-L805 VanDerWaalsContact O-N 3.12Å; I803-L805 PolarHBondContact O-N 2.75Å; L805-M809 VanDerWaalsContact O-CE 3.29Å; L805-M809 WeakPolarHBondContact O-CE 3.29Å
806	G	92	Very high	91.9	Very high	18 Å²	18	17.5 Å²	17.5	19%	0.186	10%	0.099	C	C	.	.	I	π-helix	trans	-127.4	-87.7	-173.9	0	0	0	0	0	111.9	C802 I803 D808	C802-G806 WeakPolarHBondContact O-CA 3.38Å; C802-G806 PolarHBondContact O-N 3.15Å; I803-G806 PolarHBondContact O-N 3.45Å; G806-D808 PolarHBondContact O-N 2.98Å
807	T	94.4	Very high	92.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	I	π-helix	trans	-63.2	-42.1	-171.2	54.8	0	0	0	0	112.3	C802 I803 P811 F916 V920 E954 L957	C802-T807 PolarHBondContact O-N 3.11Å; I803-T807 WeakPolarHBondContact CA-OG1 3.38Å; I803-T807 PolarHBondContact O-N 3.01Å; I803-T807 PolarHBondContact O-OG1 3.38Å; T807-P811 WeakPolarHBondContact O-CD 3.41Å; T807-P811 WeakPolarHBondContact O-CG 3.45Å; T807-F916 HydrophobicContact CG2-CE2 3.99Å; T807-F916 HydrophobicContact CG2-CZ 3.68Å; T807-V920 HydrophobicContact CG2-CG2 4Å; T807-E954 HydrophobicContact CG2-CG 4.47Å; T807-L957 HydrophobicContact CG2-CD2 4.21Å; T807-L957 HydrophobicContact CG2-CG 4.47Å
808	D	94.3	Very high	92.7	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-15.9	-166.6	-71.5	23.6	0	0	0	113	Y771 S775 I803 G806 P811 A812 Q923	Y771-D808 HydrophobicContact CE1-CB 3.97Å; S775-D808 PolarHBondContact OG-OD2 3.47Å; I803-D808 HydrophobicContact CG2-CB 4.48Å; I803-D808 WeakPolarHBondContact CG2-OD2 3.27Å; I803-D808 PolarHBondContact O-N 2.75Å; G806-D808 PolarHBondContact O-N 2.98Å; D808-P811 WeakPolarHBondContact O-CD 3.26Å; D808-A812 WeakPolarHBondContact O-CB 3.2Å; D808-A812 PolarHBondContact O-N 3.35Å; D808-Q923 PolarHBondContact OD2-NE2 2.89Å
809	M	91.7	Very high	93.1	Very high	63 Å²	63	23.6 Å²	23.6	31%	0.31	12%	0.12	S	C	.	.	H	α-helix	trans	-61.4	-51	-177.4	-70.5	-151.1	-53.2	0	0	113	D804 L805 A812 I813	D804-M809 WeakPolarHBondContact O-CG 3.41Å; L805-M809 VanDerWaalsContact O-CE 3.29Å; L805-M809 WeakPolarHBondContact O-CE 3.29Å; M809-A812 PolarHBondContact O-N 3.36Å; M809-I813 WeakPolarHBondContact O-CB 3.47Å; M809-I813 WeakPolarHBondContact O-CD1 3.37Å; M809-I813 WeakPolarHBondContact O-CG1 3.45Å; M809-I813 PolarHBondContact O-N 3.16Å
810	I	94.8	Very high	93.3	Very high	53 Å²	53	25.3 Å²	25.3	27%	0.272	14%	0.135	S	C	.	.	H	α-helix	trans	-68.2	-45.3	-177.4	-57	-163.9	0	0	0	111.5	A812 I813 S814 A950 F953	I810-A812 PolarHBondContact O-N 3.21Å; I810-I813 PolarHBondContact O-N 2.81Å; I810-S814 WeakPolarHBondContact O-CB 3.29Å; I810-S814 PolarHBondContact O-N 2.91Å; I810-A950 HydrophobicContact CG2-CB 3.84Å; I810-F953 HydrophobicContact CB-CD1 4.21Å; I810-F953 HydrophobicContact CD1-CD1 3.51Å; I810-F953 HydrophobicContact CD1-CD2 4.27Å; I810-F953 HydrophobicContact CD1-CE1 3.35Å; I810-F953 HydrophobicContact CD1-CE2 4.14Å; I810-F953 HydrophobicContact CD1-CG 3.97Å; I810-F953 HydrophobicContact CD1-CZ 3.69Å; I810-F953 HydrophobicContact CG1-CD1 4.07Å; I810-F953 HydrophobicContact CG1-CE1 3.93Å
811	P	95.6	Very high	93.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-52	-49.4	169.5	-30.8	38	0	0	0	113.3	Y771 T807 D808 I813 S814 L815 L927 A950 E954	Y771-P811 HydrophobicContact CE1-CB 3.67Å; Y771-P811 HydrophobicContact CE2-CB 4.46Å; Y771-P811 WeakPolarHBondContact OH-CB 3.23Å; T807-P811 WeakPolarHBondContact O-CD 3.41Å; T807-P811 WeakPolarHBondContact O-CG 3.45Å; D808-P811 WeakPolarHBondContact O-CD 3.26Å; P811-I813 PolarHBondContact O-N 3.03Å; P811-S814 WeakPolarHBondContact O-CB 3.45Å; P811-S814 PolarHBondContact O-N 3.39Å; P811-S814 VanDerWaalsContact O-N 3.1Å; P811-S814 PolarHBondContact O-OG 2.76Å; P811-L815 PolarHBondContact O-N 3.31Å; P811-L927 HydrophobicContact CB-CD1 3.91Å; P811-L927 HydrophobicContact CB-CD2 3.89Å; P811-L927 HydrophobicContact CB-CG 4.46Å; P811-A950 HydrophobicContact CB-CB 4.4Å; P811-A950 HydrophobicContact CG-CB 4.12Å; P811-E954 HydrophobicContact CG-CB 4.12Å; P811-E954 HydrophobicContact CG-CG 4.18Å
812	A	95.6	Very high	93.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-39.9	-179.6	0	0	0	0	0	112.5	T333 S768 Y771 D808 M809 I810 S814	T333-A812 HydrophobicContact CG2-CB 3.74Å; S768-A812 PolarHBondContact OG-O 3.19Å; Y771-A812 HydrophobicContact CD1-CB 3.81Å; Y771-A812 HydrophobicContact CE1-CB 4.05Å; D808-A812 WeakPolarHBondContact O-CB 3.2Å; D808-A812 PolarHBondContact O-N 3.35Å; M809-A812 PolarHBondContact O-N 3.36Å; I810-A812 PolarHBondContact O-N 3.21Å; A812-S814 VanDerWaalsContact C-N 3.35Å
813	I	95.1	Very high	93.5	Very high	37 Å²	37	33 Å²	33	19%	0.19	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-35.9	174.7	-68	163.7	0	0	0	111.2	T333 V336 L340 M809 I810 P811 L815 A816	T333-I813 HydrophobicContact CG2-CG1 4.02Å; V336-I813 HydrophobicContact CB-CD1 4.28Å; V336-I813 HydrophobicContact CB-CG1 4.35Å; V336-I813 HydrophobicContact CG1-CD1 4.01Å; V336-I813 HydrophobicContact CG1-CG1 4.16Å; V336-I813 HydrophobicContact CG1-CG2 3.84Å; L340-I813 HydrophobicContact CD1-CG2 3.89Å; M809-I813 WeakPolarHBondContact O-CB 3.47Å; M809-I813 WeakPolarHBondContact O-CD1 3.37Å; M809-I813 WeakPolarHBondContact O-CG1 3.45Å; M809-I813 PolarHBondContact O-N 3.16Å; I810-I813 PolarHBondContact O-N 2.81Å; P811-I813 PolarHBondContact O-N 3.03Å; I813-L815 PolarHBondContact O-N 3.01Å; I813-A816 VanDerWaalsContact O-CB 3.27Å; I813-A816 WeakPolarHBondContact O-CB 3.44Å; I813-A816 PolarHBondContact O-N 2.9Å
814	S	96.1	Very high	93.5	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-26.8	-177.7	81	0	0	0	0	113.3	I810 P811 A812 A816 Y817 N944 L947	I810-S814 WeakPolarHBondContact O-CB 3.29Å; I810-S814 PolarHBondContact O-N 2.91Å; P811-S814 WeakPolarHBondContact O-CB 3.45Å; P811-S814 PolarHBondContact O-N 3.39Å; P811-S814 VanDerWaalsContact O-N 3.1Å; P811-S814 PolarHBondContact O-OG 2.76Å; A812-S814 VanDerWaalsContact C-N 3.35Å; S814-A816 PolarHBondContact O-N 2.92Å; S814-Y817 WeakPolarHBondContact O-CB 3.41Å; S814-Y817 PolarHBondContact O-N 3.07Å; S814-Y817 VanDerWaalsContact O-N 3.14Å; S814-N944 PolarHBondContact O-ND2 3.16Å; S814-N944 VanDerWaalsContact O-ND2 3.09Å; S814-L947 WeakPolarHBondContact OG-CA 3.4Å
815	L	95.6	Very high	93.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-66.2	-20.3	175.6	-70.5	167.6	0	0	0	112.7	K767 Y771 P811 I813 Y817 E818 L927 C930 L947	K767-L815 HydrophobicContact CB-CD1 4.46Å; Y771-L815 HydrophobicContact CG-CD1 4.21Å; P811-L815 PolarHBondContact O-N 3.31Å; I813-L815 PolarHBondContact O-N 3.01Å; L815-Y817 PolarHBondContact O-N 2.99Å; L815-E818 HydrophobicContact CD2-CG 4.3Å; L815-E818 WeakPolarHBondContact O-CB 3.23Å; L815-E818 WeakPolarHBondContact O-CG 3.49Å; L815-E818 PolarHBondContact O-N 2.89Å; L815-L927 HydrophobicContact CD1-CD1 3.88Å; L815-L927 HydrophobicContact CD2-CD1 4Å; L815-L927 HydrophobicContact CG-CD1 3.79Å; L815-C930 HydrophobicContact CD1-CB 4.39Å; L815-L947 HydrophobicContact CD2-CD1 4.11Å
816	A	93.5	Very high	93.6	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-66.3	-22.6	172.9	0	0	0	0	0	113.4	C337 I761 N764 I813 S814 E818	C337-A816 HydrophobicContact CB-CB 3.9Å; I761-A816 HydrophobicContact CD1-CB 4.46Å; N764-A816 PolarHBondContact ND2-O 3.38Å; I813-A816 VanDerWaalsContact O-CB 3.27Å; I813-A816 WeakPolarHBondContact O-CB 3.44Å; I813-A816 PolarHBondContact O-N 2.9Å; S814-A816 PolarHBondContact O-N 2.92Å; A816-E818 VanDerWaalsContact C-N 3.28Å
817	Y	94.2	Very high	93.5	Very high	64 Å²	64	41.9 Å²	41.9	25%	0.251	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-84.8	2	177.3	-72.7	-84.2	0	0	0	113.8	L340 S814 L815 Y946	L340-Y817 HydrophobicContact CD1-CD2 4.47Å; L340-Y817 HydrophobicContact CD1-CE2 3.58Å; L340-Y817 WeakPolarHBondContact CD2-OH 3.42Å; S814-Y817 WeakPolarHBondContact O-CB 3.41Å; S814-Y817 PolarHBondContact O-N 3.07Å; S814-Y817 VanDerWaalsContact O-N 3.14Å; L815-Y817 PolarHBondContact O-N 2.99Å; Y817-Y946 AromaticContact CD1-CD2 3.56Å; Y817-Y946 HydrophobicContact CD1-CD2 3.56Å; Y817-Y946 AromaticContact CD1-CE2 3.49Å; Y817-Y946 HydrophobicContact CD1-CE2 3.49Å; Y817-Y946 VanDerWaalsContact CD1-CE2 3.49Å; Y817-Y946 HydrophobicContact CD1-CG 4.42Å; Y817-Y946 AromaticContact CD2-CD2 3.78Å; Y817-Y946 HydrophobicContact CD2-CD2 3.78Å; Y817-Y946 HydrophobicContact CD2-CE2 4.39Å; Y817-Y946 AromaticContact CD2-CG 3.88Å; Y817-Y946 HydrophobicContact CD2-CG 3.88Å; Y817-Y946 AromaticContact CE1-CD2 3.92Å; Y817-Y946 HydrophobicContact CE1-CD2 3.92Å; Y817-Y946 AromaticContact CE1-CE2 3.54Å; Y817-Y946 HydrophobicContact CE1-CE2 3.54Å; Y817-Y946 AromaticContact CE1-CZ 3.9Å; Y817-Y946 HydrophobicContact CE2-CD1 4.29Å; Y817-Y946 HydrophobicContact CE2-CD2 4.11Å; Y817-Y946 HydrophobicContact CE2-CE2 4.41Å; Y817-Y946 HydrophobicContact CE2-CG 4.04Å; Y817-Y946 AromaticContact CG-CD2 3.46Å; Y817-Y946 HydrophobicContact CG-CD2 3.46Å; Y817-Y946 VanDerWaalsContact CG-CD2 3.46Å; Y817-Y946 AromaticContact CG-CE2 3.93Å; Y817-Y946 HydrophobicContact CG-CE2 3.93Å; Y817-Y946 HydrophobicContact CG-CG 4.06Å
818	E	94.7	Very high	93.5	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.019	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-64.7	140.7	176.9	-75.6	-59.3	136.6	0	0	112.4	N764 L815 A816 K931 N944	N764-E818 PolarHBondContact ND2-O 3.26Å; L815-E818 HydrophobicContact CD2-CG 4.3Å; L815-E818 WeakPolarHBondContact O-CB 3.23Å; L815-E818 WeakPolarHBondContact O-CG 3.49Å; L815-E818 PolarHBondContact O-N 2.89Å; A816-E818 VanDerWaalsContact C-N 3.28Å; E818-K931 VanDerWaalsContact CD-CG 3.46Å; E818-K931 HydrophobicContact CG-CG 4.32Å; E818-K931 IonicContact OE1-NZ 3.39Å; E818-K931 PolarHBondContact OE1-NZ 3.06Å; E818-K931 WeakPolarHBondContact OE2-CG 3.4Å; E818-K931 IonicContact OE2-NZ 2.7Å; E818-K931 PolarHBondContact OE2-NZ 3.49Å; E818-N944 VanDerWaalsContact OE1-CB 3.27Å; E818-N944 WeakPolarHBondContact OE1-CB 3.22Å; E818-N944 PolarHBondContact OE1-ND2 3.44Å
819	E	93.5	Very high	93.5	Very high	148 Å²	148	48.7 Å²	48.7	69%	0.692	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-82.8	162.8	174.7	-65.4	-178.8	174.5	0	0	110.5
820	A	93.6	Very high	93.6	Very high	38 Å²	38	47.2 Å²	47.2	31%	0.314	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-62.2	139.6	178	0	0	0	0	0	111.5	L760 S822 I824 Q940	L760-A820 HydrophobicContact CD1-CB 4.12Å; A820-S822 VanDerWaalsContact C-N 3.3Å; A820-S822 WeakPolarHBondContact CB-O 3.41Å; A820-I824 HydrophobicContact CB-CD1 4.22Å; A820-I824 HydrophobicContact CB-CG1 4.32Å; A820-I824 HydrophobicContact CB-CG2 4.04Å; A820-Q940 PolarHBondContact O-NE2 3.11Å
821	E	91.9	Very high	93.4	Very high	34 Å²	34	47.7 Å²	47.7	16%	0.159	24%	0.239	C	C	.	.	S	Bend	trans	-79.8	-16.3	176	-71	179.7	-122.4	0	0	112.5	K767 R933 R934 N935	K767-E821 WeakPolarHBondContact CE-OE1 3.48Å; K767-E821 IonicContact NZ-OE1 2.64Å; K767-E821 PolarHBondContact NZ-OE1 2.97Å; E821-R933 PolarHBondContact OE1-N 3.18Å; E821-R933 PolarHBondContact OE2-N 3.28Å; E821-R933 VanDerWaalsContact OE2-N 3.12Å; E821-R934 PolarHBondContact OE2-N 3.24Å; E821-N935 HydrophobicContact CG-CB 4.45Å; E821-N935 PolarHBondContact O-ND2 3.25Å; E821-N935 PolarHBondContact OE2-N 3.04Å
822	S	90.6	Very high	93	Very high	81 Å²	81	49.2 Å²	49.2	57%	0.566	25%	0.249	S	C	*	.	S	Bend	trans	-155.4	176.2	-178.8	62.5	0	0	0	0	110.2	A820 I824	A820-S822 VanDerWaalsContact C-N 3.3Å; A820-S822 WeakPolarHBondContact CB-O 3.41Å; S822-I824 VanDerWaalsContact C-N 3.34Å; S822-I824 PolarHBondContact O-N 2.88Å
823	D	91.8	Very high	92.4	Very high	82 Å²	82	54.9 Å²	54.9	44%	0.439	28%	0.279	S	S	.	.			trans	-70.7	87.3	175.5	-169.9	-15	0	0	0	110.9	M825 K826	D823-M825 PolarHBondContact O-N 3.41Å; D823-M825 VanDerWaalsContact O-N 3.11Å; D823-M825 PolarHBondContact OD1-N 3.33Å; D823-K826 HydrophobicContact CB-CD 4.2Å; D823-K826 HydrophobicContact CB-CG 4.43Å; D823-K826 PolarHBondContact O-N 3.46Å; D823-K826 VanDerWaalsContact O-N 3.08Å; D823-K826 VanDerWaalsContact OD2-CD 3.29Å; D823-K826 WeakPolarHBondContact OD2-CD 3.48Å; D823-K826 WeakPolarHBondContact OD2-CE 3.21Å; D823-K826 IonicContact OD2-NZ 3.35Å; D823-K826 PolarHBondContact OD2-NZ 3.37Å
824	I	92.5	Very high	92	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.031	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.7	-177.6	56.7	173.7	0	0	0	113.6	E756 R759 L760 A820 S822 R827	E756-I824 HydrophobicContact CG-CD1 3.79Å; E756-I824 HydrophobicContact CG-CG1 4.15Å; E756-I824 VanDerWaalsContact O-CD1 3.22Å; E756-I824 WeakPolarHBondContact O-CD1 3.31Å; R759-I824 HydrophobicContact CB-CB 4.47Å; R759-I824 HydrophobicContact CB-CD1 4.03Å; R759-I824 WeakPolarHBondContact CD-O 3.47Å; R759-I824 PolarHBondContact NH1-O 3.27Å; L760-I824 HydrophobicContact CB-CD1 4Å; A820-I824 HydrophobicContact CB-CD1 4.22Å; A820-I824 HydrophobicContact CB-CG1 4.32Å; A820-I824 HydrophobicContact CB-CG2 4.04Å; S822-I824 VanDerWaalsContact C-N 3.34Å; S822-I824 PolarHBondContact O-N 2.88Å; I824-R827 VanDerWaalsContact O-CG 3.3Å; I824-R827 WeakPolarHBondContact O-CG 3.08Å
825	M	92.4	Very high	91.7	Very high	27 Å²	27	63.5 Å²	63.5	13%	0.133	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.8	174.6	-66.4	-56	-66.6	0	0	113.1	A602 V752 V755 E756 D823	A602-M825 WeakPolarHBondContact CA-O 3.36Å; A602-M825 HydrophobicContact CB-CE 3.93Å; A602-M825 WeakPolarHBondContact CB-O 3.11Å; A602-M825 PolarHBondContact N-O 2.96Å; V752-M825 HydrophobicContact CG1-CE 3.64Å; V755-M825 HydrophobicContact CB-CE 4.44Å; V755-M825 HydrophobicContact CG1-CE 4.16Å; V755-M825 HydrophobicContact CG1-SD 4.09Å; E756-M825 HydrophobicContact CB-CG 4.3Å; E756-M825 HydrophobicContact CB-SD 3.8Å; E756-M825 HydrophobicContact CG-CG 4.26Å; E756-M825 HydrophobicContact CG-SD 4.34Å; D823-M825 PolarHBondContact O-N 3.41Å; D823-M825 VanDerWaalsContact O-N 3.11Å; D823-M825 PolarHBondContact OD1-N 3.33Å
826	K	91.4	Very high	91.5	Very high	150 Å²	150	66.4 Å²	66.4	65%	0.652	33%	0.331	S	S	*	.	S	Bend	trans	-99.6	-13.2	173.2	-73.5	-179.9	-179.9	139	0	114.7	D823	D823-K826 HydrophobicContact CB-CD 4.2Å; D823-K826 HydrophobicContact CB-CG 4.43Å; D823-K826 PolarHBondContact O-N 3.46Å; D823-K826 VanDerWaalsContact O-N 3.08Å; D823-K826 VanDerWaalsContact OD2-CD 3.29Å; D823-K826 WeakPolarHBondContact OD2-CD 3.48Å; D823-K826 WeakPolarHBondContact OD2-CE 3.21Å; D823-K826 IonicContact OD2-NZ 3.35Å; D823-K826 PolarHBondContact OD2-NZ 3.37Å
827	R	91.1	Very high	91.4	Very high	83 Å²	83	66.4 Å²	66.4	31%	0.313	33%	0.331	S	S	.	.	S	Bend	trans	-79.8	152.9	175.6	65.9	177.5	-175.8	-164.2	2.4	110.7	A602 R759 D763 I824	A602-R827 CarbonylContact C-O 3.52Å; R759-R827 VanDerWaalsContact CB-NH2 3.33Å; R759-R827 PolarHBondContact NH1-O 2.95Å; R759-R827 PolarHBondContact O-NH2 2.96Å; R759-R827 VanDerWaalsContact O-NH2 3.11Å; D763-R827 IonicContact OD1-NH1 3.99Å; D763-R827 IonicContact OD1-NH2 2.78Å; D763-R827 IonicContact OD2-CZ 3.54Å; D763-R827 VanDerWaalsContact OD2-CZ 3.23Å; D763-R827 IonicContact OD2-NH1 3.76Å; D763-R827 PolarHBondContact OD2-NH1 3.33Å; D763-R827 IonicContact OD2-NH2 3.7Å; D763-R827 PolarHBondContact OD2-NH2 3.39Å; I824-R827 VanDerWaalsContact O-CG 3.3Å; I824-R827 WeakPolarHBondContact O-CG 3.08Å
828	M	93.7	Very high	91.3	Very high	124 Å²	124	63.4 Å²	63.4	61%	0.611	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-63.6	158	168.6	-66	-67.4	116.4	0	0	110.6
829	P	94.2	Very high	91.1	Very high	23 Å²	23	64.4 Å²	64.4	15%	0.149	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-55.6	149.1	167	-20.2	33.4	0	0	0	110.5	T364 A602 I604	T364-P829 WeakPolarHBondContact O-CB 3.35Å; T364-P829 WeakPolarHBondContact O-CG 3.31Å; A602-P829 WeakPolarHBondContact O-CD 3.45Å; I604-P829 HydrophobicContact CG1-CG 4.11Å
830	R	92.8	Very high	90.9	Very high	31 Å²	31	65.4 Å²	65.4	12%	0.117	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-66.3	146.9	178.5	73	171.8	178	111	-2.9	110.7	E281 E359 S363 P832 D835	E281-R830 IonicContact OE1-NH1 2.6Å; E281-R830 PolarHBondContact OE1-NH1 2.99Å; E359-R830 IonicContact OE1-CZ 2.71Å; E359-R830 IonicContact OE1-NE 3.95Å; E359-R830 PolarHBondContact OE1-NE 3.31Å; E359-R830 IonicContact OE1-NH2 3.03Å; E359-R830 PolarHBondContact OE1-NH2 3.12Å; E359-R830 IonicContact OE2-NH2 2.72Å; S363-R830 PolarHBondContact OG-NE 3.42Å; S363-R830 PolarHBondContact OG-NH2 3.32Å; R830-P832 WeakPolarHBondContact O-CD 3.27Å; R830-D835 HydrophobicContact CB-CB 3.96Å; R830-D835 PolarHBondContact NH1-O 3.4Å
831	D	90.9	Very high	90.9	Very high	63 Å²	63	68.4 Å²	68.4	34%	0.337	33%	0.332	S	S	.	.			trans	-80.6	115	168.8	-177.9	-18.5	0	0	0	109.1	L833 H834 D835	D831-L833 PolarHBondContact O-N 3.1Å; D831-L833 VanDerWaalsContact O-N 3.08Å; D831-L833 WeakPolarHBondContact OD1-CB 3.36Å; D831-L833 PolarHBondContact OD1-N 3.33Å; D831-H834 HydrophobicContact CB-CB 4.44Å; D831-H834 PolarHBondContact O-N 3.36Å; D831-H834 IonicContact OD1-ND1 3.76Å; D831-H834 IonicContact OD2-CE1 3.54Å; D831-H834 IonicContact OD2-CG 3.6Å; D831-H834 IonicContact OD2-ND1 2.66Å; D831-H834 PolarHBondContact OD2-ND1 2.97Å; D831-D835 PolarHBondContact N-OD2 2.79Å; D831-D835 WeakPolarHBondContact O-CA 3.44Å; D831-D835 WeakPolarHBondContact O-CB 3.48Å; D831-D835 PolarHBondContact O-N 2.92Å
832	P	87.2	Confident	91	Very high	32 Å²	32	66.9 Å²	66.9	21%	0.208	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.7	-177.4	26.8	-35.3	0	0	0	113.8	I704 R830 R836	I704-P832 HydrophobicContact CD1-CB 4.49Å; I704-P832 HydrophobicContact CD1-CG 4.41Å; I704-P832 HydrophobicContact CG1-CG 4.5Å; R830-P832 WeakPolarHBondContact O-CD 3.27Å; P832-R836 PolarHBondContact O-NE 2.87Å; P832-R836 PolarHBondContact O-NH1 3.48Å
833	L	84.7	Confident	91.1	Very high	120 Å²	120	64.6 Å²	64.6	63%	0.628	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-42.6	179	-64.9	176.7	0	0	0	112.7	D831 R836	D831-L833 PolarHBondContact O-N 3.1Å; D831-L833 VanDerWaalsContact O-N 3.08Å; D831-L833 WeakPolarHBondContact OD1-CB 3.36Å; D831-L833 PolarHBondContact OD1-N 3.33Å; L833-R836 PolarHBondContact O-NE 2.85Å
834	H	85.8	Confident	91.1	Very high	142 Å²	142	62.6 Å²	62.6	66%	0.657	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-38.6	-172.5	-60.2	95.1	0	0	0	112.7	D831 R836	D831-H834 HydrophobicContact CB-CB 4.44Å; D831-H834 PolarHBondContact O-N 3.36Å; D831-H834 IonicContact OD1-ND1 3.76Å; D831-H834 IonicContact OD2-CE1 3.54Å; D831-H834 IonicContact OD2-CG 3.6Å; D831-H834 IonicContact OD2-ND1 2.66Å; D831-H834 PolarHBondContact OD2-ND1 2.97Å; H834-R836 VanDerWaalsContact C-N 3.31Å; H834-R836 PolarHBondContact O-N 3.47Å; H834-R836 VanDerWaalsContact O-N 3.09Å
835	D	89.5	Confident	91.2	Very high	79 Å²	79	62.4 Å²	62.4	42%	0.422	30%	0.3	S	S	.	.	S	Bend	trans	-90.2	65.6	-177.7	-63.9	-39.8	0	0	0	111.4	R830 D831	R830-D835 HydrophobicContact CB-CB 3.96Å; R830-D835 PolarHBondContact NH1-O 3.4Å; D831-D835 PolarHBondContact N-OD2 2.79Å; D831-D835 WeakPolarHBondContact O-CA 3.44Å; D831-D835 WeakPolarHBondContact O-CB 3.48Å; D831-D835 PolarHBondContact O-N 2.92Å
836	R	90.7	Very high	91.3	Very high	61 Å²	61	61.1 Å²	61.1	23%	0.23	29%	0.294	C	S	.	.			trans	-68.3	153.9	178.4	-59.5	-59.8	-177.3	170	1.3	112.7	E281 K766 P832 L833 H834 N839	E281-R836 WeakPolarHBondContact OE1-CD 3.35Å; E281-R836 IonicContact OE1-CZ 2.75Å; E281-R836 IonicContact OE1-NE 3.17Å; E281-R836 IonicContact OE1-NH1 2.74Å; E281-R836 PolarHBondContact OE1-NH1 2.96Å; E281-R836 VanDerWaalsContact OE2-CA 3.27Å; E281-R836 WeakPolarHBondContact OE2-CA 3.45Å; E281-R836 WeakPolarHBondContact OE2-CB 3.26Å; E281-R836 WeakPolarHBondContact OE2-CD 3.29Å; K766-R836 WeakPolarHBondContact CE-O 3.43Å; K766-R836 PolarHBondContact NZ-O 3.41Å; P832-R836 PolarHBondContact O-NE 2.87Å; P832-R836 PolarHBondContact O-NH1 3.48Å; L833-R836 PolarHBondContact O-NE 2.85Å; H834-R836 VanDerWaalsContact C-N 3.31Å; H834-R836 PolarHBondContact O-N 3.47Å; H834-R836 VanDerWaalsContact O-N 3.09Å; R836-N839 HydrophobicContact CB-CB 4.5Å
837	L	92.4	Very high	91.3	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	27%	0.267	C	S	.	.	S	Bend	trans	-63.9	-48.2	173.5	-176.1	67.9	0	0	0	110.3	I278 E281 F762 L765 K766 I769	I278-L837 HydrophobicContact CD1-CD2 3.97Å; E281-L837 HydrophobicContact CB-CB 3.79Å; E281-L837 HydrophobicContact CB-CD2 4.2Å; E281-L837 HydrophobicContact CG-CB 4.08Å; E281-L837 PolarHBondContact OE2-N 3.26Å; F762-L837 HydrophobicContact CD2-CD1 4.03Å; F762-L837 HydrophobicContact CE2-CB 4.04Å; F762-L837 HydrophobicContact CE2-CD1 3.81Å; F762-L837 HydrophobicContact CZ-CB 4.24Å; F762-L837 HydrophobicContact CZ-CD1 4.24Å; L765-L837 HydrophobicContact CB-CD1 3.95Å; K766-L837 WeakPolarHBondContact CE-O 3.4Å; K766-L837 HydrophobicContact CG-CD1 3.88Å; K766-L837 WeakPolarHBondContact CG-O 3.36Å; I769-L837 HydrophobicContact CD1-CD1 4.18Å; I769-L837 HydrophobicContact CD1-CD2 3.51Å; I769-L837 HydrophobicContact CD1-CG 3.72Å
838	V	91.9	Very high	91.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-116.9	107.7	172.9	-178.6	0	0	0	0	108.2	F285 L288 I769 L842 I843	F285-V838 HydrophobicContact CB-CB 4.36Å; F285-V838 HydrophobicContact CB-CG2 4.16Å; F285-V838 HydrophobicContact CD2-CB 3.96Å; F285-V838 HydrophobicContact CD2-CG1 4.02Å; F285-V838 HydrophobicContact CD2-CG2 3.56Å; F285-V838 HydrophobicContact CE2-CG2 4.22Å; F285-V838 HydrophobicContact CG-CG2 4Å; L288-V838 HydrophobicContact CD2-CG1 4.43Å; I769-V838 HydrophobicContact CD1-CG2 4.33Å; I769-V838 HydrophobicContact CG2-CG2 3.72Å; V838-L842 HydrophobicContact CG1-CD2 4.35Å; V838-I843 HydrophobicContact CG1-CD1 4.13Å; V838-I843 HydrophobicContact CG1-CG1 4.04Å
839	N	90.4	Very high	91.5	Very high	25 Å²	25	49.9 Å²	49.9	13%	0.134	26%	0.258	C	S	.	.			trans	-107.3	170	176.8	59.1	19.7	0	0	0	110.5	R836 R841 L842 I843 Y1016	R836-N839 HydrophobicContact CB-CB 4.5Å; N839-R841 PolarHBondContact O-N 3.02Å; N839-R841 PolarHBondContact OD1-N 3.17Å; N839-L842 WeakPolarHBondContact O-CB 3.15Å; N839-L842 PolarHBondContact O-N 3.37Å; N839-L842 VanDerWaalsContact O-N 3.1Å; N839-L842 WeakPolarHBondContact OD1-CB 2.84Å; N839-L842 PolarHBondContact OD1-N 3.02Å; N839-I843 PolarHBondContact O-N 3.46Å; N839-Y1016 PolarHBondContact ND2-OXT 3.23Å
840	E	90.2	Very high	91.6	Very high	170 Å²	170	48.8 Å²	48.8	79%	0.794	25%	0.251	S	S	*	.	H	α-helix	trans	-57.6	-32.4	178.6	-62.8	177.3	179.9	0	0	112.2	I843 A844	E840-I843 PolarHBondContact O-N 2.85Å; E840-A844 VanDerWaalsContact O-CB 3.31Å; E840-A844 WeakPolarHBondContact O-CB 3.4Å; E840-A844 PolarHBondContact O-N 3.4Å
841	R	93	Very high	91.8	Very high	101 Å²	101	47.3 Å²	47.3	38%	0.381	25%	0.245	S	C	.	.	H	α-helix	trans	-64.1	-42.5	177	-56.3	178.1	-175.2	163.8	2.4	112	N839 I843 A844 M845 K1012 E1013 Y1015	N839-R841 PolarHBondContact O-N 3.02Å; N839-R841 PolarHBondContact OD1-N 3.17Å; R841-I843 VanDerWaalsContact C-N 3.34Å; R841-A844 PolarHBondContact O-N 2.75Å; R841-M845 WeakPolarHBondContact O-CB 3.49Å; R841-M845 PolarHBondContact O-N 3Å; R841-K1012 WeakPolarHBondContact CD-O 3.5Å; R841-K1012 VanDerWaalsContact CZ-O 3.24Å; R841-K1012 PolarHBondContact NE-O 2.95Å; R841-K1012 PolarHBondContact NH2-O 2.99Å; R841-E1013 WeakPolarHBondContact CB-O 3.35Å; R841-E1013 WeakPolarHBondContact CG-O 3.35Å; R841-Y1015 WeakPolarHBondContact CD-O 3.24Å; R841-Y1015 PolarHBondContact NH1-O 3.39Å
842	L	93.7	Very high	92	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-61.5	-47	177.6	-166.1	152.8	0	0	0	109.7	K766 A770 L773 V838 N839 M845 A846 Y1016	K766-L842 HydrophobicContact CB-CD1 4.47Å; A770-L842 HydrophobicContact CB-CD1 4.29Å; A770-L842 HydrophobicContact CB-CD2 4.12Å; A770-L842 HydrophobicContact CB-CG 4.13Å; L773-L842 HydrophobicContact CD1-CD2 3.82Å; V838-L842 HydrophobicContact CG1-CD2 4.35Å; N839-L842 WeakPolarHBondContact O-CB 3.15Å; N839-L842 PolarHBondContact O-N 3.37Å; N839-L842 VanDerWaalsContact O-N 3.1Å; N839-L842 WeakPolarHBondContact OD1-CB 2.84Å; N839-L842 PolarHBondContact OD1-N 3.02Å; L842-M845 PolarHBondContact O-N 3.43Å; L842-A846 HydrophobicContact CD2-CB 4.44Å; L842-A846 VanDerWaalsContact O-CB 3.3Å; L842-A846 WeakPolarHBondContact O-CB 3.39Å; L842-A846 PolarHBondContact O-N 3.38Å; L842-Y1016 HydrophobicContact CB-CG 4.23Å; L842-Y1016 HydrophobicContact CD1-CD2 3.94Å; L842-Y1016 HydrophobicContact CD1-CG 4.48Å; L842-Y1016 HydrophobicContact CG-CD2 4.07Å; L842-Y1016 HydrophobicContact CG-CG 4.21Å
843	I	92.3	Very high	92.5	Very high	33 Å²	33	48.3 Å²	48.3	17%	0.169	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-44.2	178	-64	175.1	0	0	0	110.8	L288 V838 N839 E840 R841 M845 A846 Y847 G848	L288-I843 HydrophobicContact CD2-CD1 3.32Å; L288-I843 HydrophobicContact CG-CD1 3.89Å; V838-I843 HydrophobicContact CG1-CD1 4.13Å; V838-I843 HydrophobicContact CG1-CG1 4.04Å; N839-I843 PolarHBondContact O-N 3.46Å; E840-I843 PolarHBondContact O-N 2.85Å; R841-I843 VanDerWaalsContact C-N 3.34Å; I843-M845 VanDerWaalsContact C-N 3.26Å; I843-M845 PolarHBondContact O-N 3.15Å; I843-A846 PolarHBondContact O-N 3.22Å; I843-Y847 HydrophobicContact CG2-CD2 4.16Å; I843-Y847 HydrophobicContact CG2-CG 4.15Å; I843-Y847 WeakPolarHBondContact O-CA 2.92Å; I843-Y847 VanDerWaalsContact O-CB 3.28Å; I843-Y847 WeakPolarHBondContact O-CB 3.27Å; I843-Y847 PolarHBondContact O-N 3.41Å; I843-G848 PolarHBondContact O-N 3.09Å
844	A	93.1	Very high	93.1	Very high	41 Å²	41	42.6 Å²	42.6	34%	0.339	22%	0.217	S	C	.	.	H	α-helix	trans	-60.3	-37.3	177.9	0	0	0	0	0	112.1	E840 R841 G848 Q849	E840-A844 VanDerWaalsContact O-CB 3.31Å; E840-A844 WeakPolarHBondContact O-CB 3.4Å; E840-A844 PolarHBondContact O-N 3.4Å; R841-A844 PolarHBondContact O-N 2.75Å; A844-G848 CarbonylContact O-C 3.58Å; A844-G848 WeakPolarHBondContact O-CA 3.23Å; A844-G848 PolarHBondContact O-N 2.79Å; A844-G848 VanDerWaalsContact O-N 3.17Å; A844-Q849 PolarHBondContact O-N 3.18Å
845	M	94.4	Very high	93.6	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-72.6	-55.5	176.9	-149.8	-59.8	-65.9	0	0	111.3	R841 L842 I843 Q849 I850 Y1016	R841-M845 WeakPolarHBondContact O-CB 3.49Å; R841-M845 PolarHBondContact O-N 3Å; L842-M845 PolarHBondContact O-N 3.43Å; I843-M845 VanDerWaalsContact C-N 3.26Å; I843-M845 PolarHBondContact O-N 3.15Å; M845-Q849 WeakPolarHBondContact O-CB 3.24Å; M845-Q849 PolarHBondContact O-N 3.5Å; M845-I850 HydrophobicContact CE-CG1 3.69Å; M845-I850 PolarHBondContact O-N 3.49Å; M845-I850 HydrophobicContact SD-CB 4.48Å; M845-I850 HydrophobicContact SD-CD1 3.96Å; M845-I850 HydrophobicContact SD-CG1 3.26Å; M845-I850 WeakPolarHBondContact SD-CG1 3.43Å; M845-Y1016 HydrophobicContact CB-CD1 4.16Å; M845-Y1016 HydrophobicContact CB-CE1 4.39Å; M845-Y1016 HydrophobicContact CE-CE1 3.92Å; M845-Y1016 HydrophobicContact CG-CD1 4.14Å; M845-Y1016 HydrophobicContact CG-CE1 4.03Å
846	A	94.1	Very high	93.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-68.6	-59.2	-176.3	0	0	0	0	0	111.7	L773 L842 I843 G851	L773-A846 HydrophobicContact CB-CB 4.29Å; L842-A846 HydrophobicContact CD2-CB 4.44Å; L842-A846 VanDerWaalsContact O-CB 3.3Å; L842-A846 WeakPolarHBondContact O-CB 3.39Å; L842-A846 PolarHBondContact O-N 3.38Å; I843-A846 PolarHBondContact O-N 3.22Å; A846-G851 WeakPolarHBondContact O-CA 3.31Å; A846-G851 PolarHBondContact O-N 3.41Å
847	Y	92.2	Very high	94.2	Very high	23 Å²	23	34 Å²	34	9%	0.09	18%	0.18	C	C	.	.	I	π-helix	trans	-77.1	-43.2	-177	-77.5	22.4	0	0	0	112.3	V292 L773 N776 I777 I843	V292-Y847 HydrophobicContact CG1-CE2 4.44Å; L773-Y847 HydrophobicContact CB-CD1 4.3Å; L773-Y847 HydrophobicContact CB-CE1 3.73Å; L773-Y847 HydrophobicContact CD2-CE1 3.98Å; L773-Y847 HydrophobicContact CG-CE1 4.33Å; L773-Y847 WeakPolarHBondContact O-CD1 3.34Å; L773-Y847 WeakPolarHBondContact O-CE1 3.46Å; N776-Y847 HydrophobicContact CB-CE1 4.14Å; N776-Y847 PolarHBondContact ND2-OH 2.64Å; I777-Y847 HydrophobicContact CD1-CD1 4.26Å; I777-Y847 HydrophobicContact CD1-CD2 3.89Å; I777-Y847 HydrophobicContact CD1-CE2 4.49Å; I777-Y847 HydrophobicContact CD1-CG 3.74Å; I777-Y847 HydrophobicContact CG1-CD1 4.16Å; I777-Y847 HydrophobicContact CG1-CG 4.03Å; I777-Y847 WeakPolarHBondContact CG1-O 3.35Å; I843-Y847 HydrophobicContact CG2-CD2 4.16Å; I843-Y847 HydrophobicContact CG2-CG 4.15Å; I843-Y847 WeakPolarHBondContact O-CA 2.92Å; I843-Y847 VanDerWaalsContact O-CB 3.28Å; I843-Y847 WeakPolarHBondContact O-CB 3.27Å; I843-Y847 PolarHBondContact O-N 3.41Å
848	G	92.3	Very high	94.3	Very high	47 Å²	47	33.9 Å²	33.9	49%	0.485	18%	0.179	S	C	.	.	I	π-helix	trans	-80.7	-28.9	-170.2	0	0	0	0	0	115	I843 A844	I843-G848 PolarHBondContact O-N 3.09Å; A844-G848 CarbonylContact O-C 3.58Å; A844-G848 WeakPolarHBondContact O-CA 3.23Å; A844-G848 PolarHBondContact O-N 2.79Å; A844-G848 VanDerWaalsContact O-N 3.17Å
849	Q	95.6	Very high	94.5	Very high	51 Å²	51	35 Å²	35	24%	0.238	18%	0.184	C	C	.	.	I	π-helix	trans	-118.4	-69.8	-171.9	-62.4	170.3	17.2	0	0	111.7	A844 M845 M852 I853 Y994	A844-Q849 PolarHBondContact O-N 3.18Å; M845-Q849 WeakPolarHBondContact O-CB 3.24Å; M845-Q849 PolarHBondContact O-N 3.5Å; Q849-M852 PolarHBondContact O-N 3.4Å; Q849-I853 WeakPolarHBondContact O-CG1 3.39Å; Q849-I853 PolarHBondContact O-N 3.16Å; Q849-Y994 HydrophobicContact CB-CE1 4.35Å; Q849-Y994 PolarHBondContact OE1-OH 2.89Å
850	I	96.5	Very high	94.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	I	π-helix	trans	-69.4	-47.2	-171.7	-53.9	-57.8	0	0	0	110.8	T774 M845 M852 I853 Q854 I929 I991 Y994	T774-I850 HydrophobicContact CG2-CB 3.71Å; T774-I850 HydrophobicContact CG2-CG2 3.46Å; T774-I850 VanDerWaalsContact CG2-CG2 3.46Å; M845-I850 HydrophobicContact CE-CG1 3.69Å; M845-I850 PolarHBondContact O-N 3.49Å; M845-I850 HydrophobicContact SD-CB 4.48Å; M845-I850 HydrophobicContact SD-CD1 3.96Å; M845-I850 HydrophobicContact SD-CG1 3.26Å; M845-I850 WeakPolarHBondContact SD-CG1 3.43Å; I850-M852 PolarHBondContact O-N 3.37Å; I850-I853 WeakPolarHBondContact O-CA 3.36Å; I850-I853 WeakPolarHBondContact O-CB 3.49Å; I850-I853 PolarHBondContact O-N 3.38Å; I850-Q854 HydrophobicContact CG2-CG 4.41Å; I850-Q854 WeakPolarHBondContact O-CG 3.07Å; I850-Q854 PolarHBondContact O-N 3.23Å; I850-I929 HydrophobicContact CD1-CD1 4.04Å; I850-I929 HydrophobicContact CG1-CD1 4.11Å; I850-I929 HydrophobicContact CG2-CD1 4.28Å; I850-I991 HydrophobicContact CD1-CG2 4.39Å; I850-I991 HydrophobicContact CG2-CD1 4.11Å; I850-I991 HydrophobicContact CG2-CG1 4.16Å; I850-I991 HydrophobicContact CG2-CG2 3.85Å; I850-Y994 HydrophobicContact CD1-CD1 3.71Å; I850-Y994 HydrophobicContact CD1-CE1 4.05Å
851	G	96.2	Very high	95.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-32.1	178.1	0	0	0	0	0	112.6	T774 I777 A846 Q854 A855	T774-G851 WeakPolarHBondContact O-CA 3.46Å; I777-G851 WeakPolarHBondContact CG2-O 3.24Å; A846-G851 WeakPolarHBondContact O-CA 3.31Å; A846-G851 PolarHBondContact O-N 3.41Å; G851-Q854 PolarHBondContact O-N 2.82Å; G851-A855 WeakPolarHBondContact O-CB 3.48Å; G851-A855 PolarHBondContact O-N 3.48Å
852	M	96.5	Very high	95.2	Very high	90 Å²	90	25.7 Å²	25.7	44%	0.443	14%	0.143	S	C	.	.	H	α-helix	trans	-67.9	-40.9	173.6	-166.5	62.4	63.2	0	0	112.1	Q849 I850 Q854 A855 L856	Q849-M852 PolarHBondContact O-N 3.4Å; I850-M852 PolarHBondContact O-N 3.37Å; M852-Q854 VanDerWaalsContact C-N 3.33Å; M852-A855 PolarHBondContact O-N 3.23Å; M852-L856 VanDerWaalsContact O-CG 3.31Å; M852-L856 WeakPolarHBondContact O-CG 3.46Å; M852-L856 PolarHBondContact O-N 3.35Å
853	I	97	Very high	95.3	Very high	25 Å²	25	28.6 Å²	28.6	13%	0.128	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-39.9	175.1	-59.6	166.2	0	0	0	110.3	Q849 I850 L856 G857 F987 L990 I991	Q849-I853 WeakPolarHBondContact O-CG1 3.39Å; Q849-I853 PolarHBondContact O-N 3.16Å; I850-I853 WeakPolarHBondContact O-CA 3.36Å; I850-I853 WeakPolarHBondContact O-CB 3.49Å; I850-I853 PolarHBondContact O-N 3.38Å; I853-L856 PolarHBondContact O-N 3.19Å; I853-G857 PolarHBondContact O-N 2.71Å; I853-F987 HydrophobicContact CG2-CB 4.36Å; I853-F987 HydrophobicContact CG2-CD1 4.17Å; I853-L990 HydrophobicContact CG2-CD2 4.06Å; I853-L990 HydrophobicContact CG2-CG 4.49Å; I853-I991 HydrophobicContact CB-CD1 4.36Å; I853-I991 HydrophobicContact CB-CG1 4Å; I853-I991 HydrophobicContact CD1-CG1 4.37Å; I853-I991 HydrophobicContact CG2-CD1 4.06Å; I853-I991 HydrophobicContact CG2-CG1 3.62Å
854	Q	97.1	Very high	95.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-47	174.3	-64.3	-167.5	-9.9	0	0	111.7	T774 P778 I850 G851 M852 L856 G857 G858 V922 I991	T774-Q854 HydrophobicContact CG2-CG 4.34Å; T774-Q854 PolarHBondContact O-OE1 3.29Å; P778-Q854 HydrophobicContact CB-CB 4.21Å; P778-Q854 HydrophobicContact CG-CB 3.8Å; I850-Q854 HydrophobicContact CG2-CG 4.41Å; I850-Q854 WeakPolarHBondContact O-CG 3.07Å; I850-Q854 PolarHBondContact O-N 3.23Å; G851-Q854 PolarHBondContact O-N 2.82Å; M852-Q854 VanDerWaalsContact C-N 3.33Å; Q854-L856 VanDerWaalsContact C-N 3.34Å; Q854-L856 PolarHBondContact O-N 3.2Å; Q854-G857 PolarHBondContact O-N 2.81Å; Q854-G857 VanDerWaalsContact O-N 3.11Å; Q854-G858 PolarHBondContact O-N 3.14Å; Q854-V922 HydrophobicContact CB-CB 4.46Å; Q854-V922 HydrophobicContact CB-CG2 3.71Å; Q854-V922 HydrophobicContact CG-CB 3.93Å; Q854-V922 HydrophobicContact CG-CG2 3.48Å; Q854-V922 VanDerWaalsContact CG-CG2 3.48Å; Q854-I991 HydrophobicContact CG-CD1 3.71Å
855	A	96.4	Very high	95.5	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-58.5	-45	176.5	0	0	0	0	0	111.8	I777 P778 T781 G851 M852 G857 G858 F859	I777-A855 HydrophobicContact CG2-CB 4.19Å; P778-A855 HydrophobicContact CB-CB 4.29Å; T781-A855 HydrophobicContact CG2-CB 4.33Å; T781-A855 WeakPolarHBondContact OG1-CB 3.3Å; G851-A855 WeakPolarHBondContact O-CB 3.48Å; G851-A855 PolarHBondContact O-N 3.48Å; M852-A855 PolarHBondContact O-N 3.23Å; A855-G857 VanDerWaalsContact C-N 3.3Å; A855-G857 PolarHBondContact O-N 2.6Å; A855-G858 PolarHBondContact O-N 2.71Å; A855-F859 WeakPolarHBondContact O-CD2 3.32Å; A855-F859 PolarHBondContact O-N 3.46Å
856	L	96.5	Very high	95.6	Very high	98 Å²	98	26.6 Å²	26.6	51%	0.513	14%	0.14	S	C	.	.	H	α-helix	trans	-60	-39.9	175.5	-69.9	173.8	0	0	0	112.2	M852 I853 Q854 F860 F987	M852-L856 VanDerWaalsContact O-CG 3.31Å; M852-L856 WeakPolarHBondContact O-CG 3.46Å; M852-L856 PolarHBondContact O-N 3.35Å; I853-L856 PolarHBondContact O-N 3.19Å; Q854-L856 VanDerWaalsContact C-N 3.34Å; Q854-L856 PolarHBondContact O-N 3.2Å; L856-F860 VanDerWaalsContact O-CB 3.28Å; L856-F860 WeakPolarHBondContact O-CB 3.33Å; L856-F860 PolarHBondContact O-N 2.69Å; L856-F987 HydrophobicContact CB-CD1 4.3Å; L856-F987 HydrophobicContact CB-CE1 3.84Å
857	G	95.7	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-45	174.6	0	0	0	0	0	112.8	I853 Q854 A855 F860 V861	I853-G857 PolarHBondContact O-N 2.71Å; Q854-G857 PolarHBondContact O-N 2.81Å; Q854-G857 VanDerWaalsContact O-N 3.11Å; A855-G857 VanDerWaalsContact C-N 3.3Å; A855-G857 PolarHBondContact O-N 2.6Å; G857-F860 PolarHBondContact O-N 2.99Å; G857-V861 WeakPolarHBondContact O-CG2 3.33Å; G857-V861 PolarHBondContact O-N 3.38Å; G857-V861 VanDerWaalsContact O-N 3.13Å
858	G	95.7	Very high	95.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-44.8	176.9	0	0	0	0	0	113.5	Q854 A855 F860 V861 Y862 F915 S918	Q854-G858 PolarHBondContact O-N 3.14Å; A855-G858 PolarHBondContact O-N 2.71Å; G858-F860 VanDerWaalsContact C-N 3.29Å; G858-F860 PolarHBondContact O-N 3.39Å; G858-V861 PolarHBondContact O-N 2.97Å; G858-Y862 WeakPolarHBondContact O-CB 3.35Å; G858-Y862 PolarHBondContact O-N 3.2Å; G858-F915 WeakPolarHBondContact O-CD2 3.16Å; G858-F915 WeakPolarHBondContact O-CE2 3.44Å; G858-S918 WeakPolarHBondContact CA-OG 3.17Å
859	F	96.2	Very high	95.7	Very high	24 Å²	24	31.2 Å²	31.2	11%	0.105	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-36.1	174.4	-80.5	-66.2	0	0	0	112.5	V785 P794 A855 Y862 F863 F915	V785-F859 HydrophobicContact CB-CE1 3.84Å; V785-F859 HydrophobicContact CB-CZ 3.7Å; V785-F859 HydrophobicContact CG1-CE1 3.73Å; V785-F859 HydrophobicContact CG1-CZ 4.13Å; V785-F859 HydrophobicContact CG2-CE1 3.9Å; V785-F859 HydrophobicContact CG2-CE2 4.14Å; V785-F859 HydrophobicContact CG2-CZ 3.45Å; V785-F859 VanDerWaalsContact CG2-CZ 3.45Å; P794-F859 HydrophobicContact CB-CE1 4.3Å; P794-F859 HydrophobicContact CG-CE1 3.85Å; A855-F859 WeakPolarHBondContact O-CD2 3.32Å; A855-F859 PolarHBondContact O-N 3.46Å; F859-Y862 WeakPolarHBondContact O-CB 3.15Å; F859-Y862 PolarHBondContact O-N 2.9Å; F859-F863 HydrophobicContact CB-CD2 4.39Å; F859-F863 HydrophobicContact CB-CE2 4.16Å; F859-F863 HydrophobicContact CD1-CE2 4.37Å; F859-F863 WeakPolarHBondContact O-CD2 3.47Å; F859-F863 PolarHBondContact O-N 2.94Å; F859-F915 HydrophobicContact CD1-CE2 4.29Å; F859-F915 HydrophobicContact CE1-CE2 4.5Å; F859-F915 HydrophobicContact CG-CE2 4.29Å
860	F	96.3	Very high	95.6	Very high	99 Å²	99	28.9 Å²	28.9	43%	0.434	15%	0.146	S	C	.	.	H	α-helix	trans	-61.5	-49.2	176.1	-177.3	-108	0	0	0	111.4	L856 G857 G858 Y862 F863 V864 P983 F987	L856-F860 VanDerWaalsContact O-CB 3.28Å; L856-F860 WeakPolarHBondContact O-CB 3.33Å; L856-F860 PolarHBondContact O-N 2.69Å; G857-F860 PolarHBondContact O-N 2.99Å; G858-F860 VanDerWaalsContact C-N 3.29Å; G858-F860 PolarHBondContact O-N 3.39Å; F860-Y862 VanDerWaalsContact C-N 3.32Å; F860-Y862 PolarHBondContact O-N 3.42Å; F860-F863 PolarHBondContact O-N 3.28Å; F860-V864 HydrophobicContact CD1-CG2 4.33Å; F860-V864 HydrophobicContact CE1-CG2 4.05Å; F860-V864 HydrophobicContact CE2-CG2 4.29Å; F860-V864 HydrophobicContact CZ-CG2 4.02Å; F860-V864 VanDerWaalsContact O-CG2 3.27Å; F860-V864 WeakPolarHBondContact O-CG2 3.39Å; F860-V864 PolarHBondContact O-N 3.2Å; F860-P983 HydrophobicContact CD1-CB 3.93Å; F860-P983 HydrophobicContact CE1-CB 3.78Å; F860-F987 HydrophobicContact CB-CE2 3.78Å; F860-F987 HydrophobicContact CB-CZ 3.86Å; F860-F987 AromaticContact CD1-CE2 3.7Å; F860-F987 HydrophobicContact CD1-CE2 3.7Å; F860-F987 HydrophobicContact CD1-CZ 4.41Å; F860-F987 HydrophobicContact CE1-CE2 4.45Å; F860-F987 AromaticContact CG-CE2 3.8Å; F860-F987 HydrophobicContact CG-CE2 3.8Å; F860-F987 HydrophobicContact CG-CZ 4.07Å
861	V	95.7	Very high	95.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-44.6	175	173.5	0	0	0	0	111.1	G857 G858 F863 V864 I865 A914 P983 A984	G857-V861 WeakPolarHBondContact O-CG2 3.33Å; G857-V861 PolarHBondContact O-N 3.38Å; G857-V861 VanDerWaalsContact O-N 3.13Å; G858-V861 PolarHBondContact O-N 2.97Å; V861-F863 PolarHBondContact O-N 2.96Å; V861-V864 PolarHBondContact O-N 2.84Å; V861-I865 HydrophobicContact CG1-CD1 3.86Å; V861-I865 WeakPolarHBondContact O-CG1 3.38Å; V861-I865 PolarHBondContact O-N 3.31Å; V861-A914 HydrophobicContact CG1-CB 3.74Å; V861-P983 HydrophobicContact CG2-CB 3.97Å; V861-A984 HydrophobicContact CG2-CB 4.04Å
862	Y	95.8	Very high	95.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.7	-49.9	176.2	168.2	-93.5	0	0	0	112.4	L791 P792 P794 G858 F859 F860 I865 M866 L876 C911	L791-Y862 HydrophobicContact CD1-CE1 4.31Å; P792-Y862 VanDerWaalsContact CD-OH 3.28Å; P792-Y862 WeakPolarHBondContact CD-OH 3.37Å; P792-Y862 PolarHBondContact O-OH 3.25Å; P794-Y862 HydrophobicContact CB-CD2 3.77Å; P794-Y862 HydrophobicContact CB-CE2 4.02Å; P794-Y862 HydrophobicContact CB-CG 4.2Å; P794-Y862 HydrophobicContact CG-CD2 4.37Å; P794-Y862 HydrophobicContact CG-CE2 4.22Å; G858-Y862 WeakPolarHBondContact O-CB 3.35Å; G858-Y862 PolarHBondContact O-N 3.2Å; F859-Y862 WeakPolarHBondContact O-CB 3.15Å; F859-Y862 PolarHBondContact O-N 2.9Å; F860-Y862 VanDerWaalsContact C-N 3.32Å; F860-Y862 PolarHBondContact O-N 3.42Å; Y862-I865 PolarHBondContact O-N 3.22Å; Y862-M866 HydrophobicContact CD2-CG 4.49Å; Y862-M866 HydrophobicContact CE1-CG 4.2Å; Y862-M866 HydrophobicContact CE2-CE 3.54Å; Y862-M866 HydrophobicContact CE2-CG 4.08Å; Y862-M866 WeakPolarHBondContact O-CB 3.31Å; Y862-M866 WeakPolarHBondContact O-CG 3.43Å; Y862-M866 PolarHBondContact O-N 3.02Å; Y862-M866 WeakPolarHBondContact OH-CE 3.45Å; Y862-L876 HydrophobicContact CE1-CD1 4.15Å; Y862-C911 HydrophobicContact CD2-CB 3.88Å; Y862-C911 HydrophobicContact CE2-CB 4.19Å
863	F	95.3	Very high	95	Very high	63 Å²	63	34 Å²	34	28%	0.276	17%	0.169	S	C	.	.	H	α-helix	trans	-68.7	-35.2	179.9	-72.2	-56.9	0	0	0	112.8	L791 F859 F860 V861 A867 P873 L876	L791-F863 HydrophobicContact CD1-CE1 4.13Å; L791-F863 HydrophobicContact CD1-CZ 4.02Å; F859-F863 HydrophobicContact CB-CD2 4.39Å; F859-F863 HydrophobicContact CB-CE2 4.16Å; F859-F863 HydrophobicContact CD1-CE2 4.37Å; F859-F863 WeakPolarHBondContact O-CD2 3.47Å; F859-F863 PolarHBondContact O-N 2.94Å; F860-F863 PolarHBondContact O-N 3.28Å; V861-F863 PolarHBondContact O-N 2.96Å; F863-A867 WeakPolarHBondContact O-CB 3.21Å; F863-A867 PolarHBondContact O-N 3.4Å; F863-P873 HydrophobicContact CB-CG 4.45Å; F863-P873 HydrophobicContact CD1-CB 4.14Å; F863-P873 HydrophobicContact CD1-CG 4.14Å; F863-P873 HydrophobicContact CE1-CB 4.41Å; F863-P873 HydrophobicContact CG-CG 4.49Å; F863-L876 HydrophobicContact CD1-CD1 3.81Å; F863-L876 HydrophobicContact CE1-CD1 3.92Å
864	V	95.3	Very high	94.7	Very high	33 Å²	33	43.7 Å²	43.7	20%	0.2	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-49.4	174.3	167.6	0	0	0	0	110.2	F860 V861 A867 E868	F860-V864 HydrophobicContact CD1-CG2 4.33Å; F860-V864 HydrophobicContact CE1-CG2 4.05Å; F860-V864 HydrophobicContact CE2-CG2 4.29Å; F860-V864 HydrophobicContact CZ-CG2 4.02Å; F860-V864 VanDerWaalsContact O-CG2 3.27Å; F860-V864 WeakPolarHBondContact O-CG2 3.39Å; F860-V864 PolarHBondContact O-N 3.2Å; V861-V864 PolarHBondContact O-N 2.84Å; V864-A867 PolarHBondContact O-N 3.47Å; V864-E868 WeakPolarHBondContact O-CB 3.46Å; V864-E868 WeakPolarHBondContact O-CG 3.32Å; V864-E868 PolarHBondContact O-N 2.91Å
865	I	95.5	Very high	94.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-42.8	-178.8	-66.2	172.6	0	0	0	111.3	V861 Y862 A867 E868 N869 L907 A914 W980	V861-I865 HydrophobicContact CG1-CD1 3.86Å; V861-I865 WeakPolarHBondContact O-CG1 3.38Å; V861-I865 PolarHBondContact O-N 3.31Å; Y862-I865 PolarHBondContact O-N 3.22Å; I865-A867 PolarHBondContact O-N 2.93Å; I865-E868 PolarHBondContact O-N 3.38Å; I865-N869 PolarHBondContact O-N 3.19Å; I865-N869 VanDerWaalsContact O-N 3.12Å; I865-N869 PolarHBondContact O-ND2 2.59Å; I865-L907 HydrophobicContact CG2-CD1 4.05Å; I865-A914 HydrophobicContact CD1-CB 3.05Å; I865-W980 HydrophobicContact CD1-CB 4.14Å; I865-W980 HydrophobicContact CD1-CD2 3.85Å; I865-W980 HydrophobicContact CD1-CE3 4.09Å; I865-W980 HydrophobicContact CD1-CG 3.9Å; I865-W980 HydrophobicContact CG1-CD2 3.84Å; I865-W980 HydrophobicContact CG1-CE3 4.46Å; I865-W980 HydrophobicContact CG1-CG 3.86Å; I865-W980 HydrophobicContact CG1-CZ2 4.46Å; I865-W980 HydrophobicContact CG2-CH2 4.35Å; I865-W980 HydrophobicContact CG2-CZ2 4.2Å
866	M	94.8	Very high	94.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-45.3	176.2	-75.7	-66.2	-170.6	0	0	111.3	P792 Y862 N869 G870 F871 L876 W883 L907	P792-M866 HydrophobicContact CB-CE 3.89Å; P792-M866 HydrophobicContact CG-CE 4.03Å; Y862-M866 HydrophobicContact CD2-CG 4.49Å; Y862-M866 HydrophobicContact CE1-CG 4.2Å; Y862-M866 HydrophobicContact CE2-CE 3.54Å; Y862-M866 HydrophobicContact CE2-CG 4.08Å; Y862-M866 WeakPolarHBondContact O-CB 3.31Å; Y862-M866 WeakPolarHBondContact O-CG 3.43Å; Y862-M866 PolarHBondContact O-N 3.02Å; Y862-M866 WeakPolarHBondContact OH-CE 3.45Å; M866-N869 CarbonylContact O-C 3.59Å; M866-N869 PolarHBondContact O-N 2.86Å; M866-G870 PolarHBondContact O-N 2.83Å; M866-F871 CarbonylContact C-O 3.21Å; M866-F871 HydrophobicContact CB-CB 4.21Å; M866-F871 CarbonylContact O-C 3.36Å; M866-F871 WeakPolarHBondContact O-CA 3.29Å; M866-F871 PolarHBondContact O-N 3.36Å; M866-F871 HydrophobicContact SD-CB 4.34Å; M866-L876 HydrophobicContact CB-CD1 3.8Å; M866-L876 HydrophobicContact CG-CD1 3.98Å; M866-L876 HydrophobicContact CG-CD2 4.31Å; M866-L876 HydrophobicContact SD-CD2 4.16Å; M866-W883 HydrophobicContact CE-CH2 4.05Å; M866-W883 HydrophobicContact CE-CZ2 4.08Å; M866-W883 HydrophobicContact SD-CH2 4.15Å; M866-L907 HydrophobicContact SD-CD2 4.12Å; M866-L907 HydrophobicContact SD-CG 4.34Å
867	A	94.6	Very high	93.8	Very high	29 Å²	29	47.7 Å²	47.7	24%	0.24	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-42.2	179.5	0	0	0	0	0	112.5	F863 V864 I865 N869 G870 F871	F863-A867 WeakPolarHBondContact O-CB 3.21Å; F863-A867 PolarHBondContact O-N 3.4Å; V864-A867 PolarHBondContact O-N 3.47Å; I865-A867 PolarHBondContact O-N 2.93Å; A867-N869 PolarHBondContact O-N 3.17Å; A867-G870 PolarHBondContact O-N 3.37Å; A867-G870 VanDerWaalsContact O-N 3.1Å; A867-F871 WeakPolarHBondContact CA-O 3.39Å; A867-F871 PolarHBondContact N-O 2.7Å
868	E	93.8	Very high	93.4	Very high	101 Å²	101	50 Å²	50	47%	0.472	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-28.7	175.7	-77.9	-175.6	-173.8	0	0	113	V864 I865 W980	V864-E868 WeakPolarHBondContact O-CB 3.46Å; V864-E868 WeakPolarHBondContact O-CG 3.32Å; V864-E868 PolarHBondContact O-N 2.91Å; I865-E868 PolarHBondContact O-N 3.38Å; E868-W980 PolarHBondContact OE2-NE1 2.8Å
869	N	93.5	Very high	93.2	Very high	38 Å²	38	50 Å²	50	20%	0.203	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	13.9	176.7	-69.3	-86.8	0	0	0	113.2	I865 M866 A867 W899 L907	I865-N869 PolarHBondContact O-N 3.19Å; I865-N869 VanDerWaalsContact O-N 3.12Å; I865-N869 PolarHBondContact O-ND2 2.59Å; M866-N869 CarbonylContact O-C 3.59Å; M866-N869 PolarHBondContact O-N 2.86Å; A867-N869 PolarHBondContact O-N 3.17Å; N869-W899 HydrophobicContact CB-CH2 4.21Å; N869-W899 HydrophobicContact CB-CZ2 4.44Å; N869-W899 WeakPolarHBondContact O-CZ2 3.16Å; N869-L907 HydrophobicContact CB-CD1 3.81Å; N869-L907 HydrophobicContact CB-CD2 3.68Å; N869-L907 HydrophobicContact CB-CG 4.44Å
870	G	92.3	Very high	92.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.01	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	-2.5	170.8	0	0	0	0	0	116.9	M866 A867 D893 S894 Y895	M866-G870 PolarHBondContact O-N 2.83Å; A867-G870 PolarHBondContact O-N 3.37Å; A867-G870 VanDerWaalsContact O-N 3.1Å; G870-D893 WeakPolarHBondContact O-CB 3.2Å; G870-S894 WeakPolarHBondContact O-CA 2.99Å; G870-S894 WeakPolarHBondContact O-CB 3.46Å; G870-S894 PolarHBondContact O-N 3.09Å; G870-S894 PolarHBondContact O-OG 3.16Å; G870-Y895 VanDerWaalsContact CA-CD2 3.43Å
871	F	94.1	Very high	92.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.252	C	S	.	.			trans	-101.3	89.6	177	-64.1	-84.8	0	0	0	110.9	M866 A867 L876 I879 W883 L891 D893 W899 L907	M866-F871 CarbonylContact C-O 3.21Å; M866-F871 HydrophobicContact CB-CB 4.21Å; M866-F871 CarbonylContact O-C 3.36Å; M866-F871 WeakPolarHBondContact O-CA 3.29Å; M866-F871 PolarHBondContact O-N 3.36Å; M866-F871 HydrophobicContact SD-CB 4.34Å; A867-F871 WeakPolarHBondContact CA-O 3.39Å; A867-F871 PolarHBondContact N-O 2.7Å; F871-L876 HydrophobicContact CB-CD2 3.71Å; F871-L876 HydrophobicContact CB-CG 4.24Å; F871-L876 HydrophobicContact CG-CD2 4.38Å; F871-I879 HydrophobicContact CD1-CD1 4.03Å; F871-I879 HydrophobicContact CE1-CD1 4.08Å; F871-W883 AromaticContact CD1-CZ3 3.93Å; F871-W883 HydrophobicContact CD1-CZ3 3.93Å; F871-W883 HydrophobicContact CD2-CH2 4.31Å; F871-W883 HydrophobicContact CD2-CZ3 4.19Å; F871-W883 HydrophobicContact CE1-CE3 4.43Å; F871-W883 AromaticContact CE1-CZ3 3.67Å; F871-W883 HydrophobicContact CE1-CZ3 3.67Å; F871-W883 HydrophobicContact CE2-CH2 4.11Å; F871-W883 AromaticContact CE2-CZ3 3.94Å; F871-W883 HydrophobicContact CE2-CZ3 3.94Å; F871-W883 HydrophobicContact CG-CZ3 4.18Å; F871-W883 HydrophobicContact CZ-CH2 4.27Å; F871-W883 AromaticContact CZ-CZ3 3.67Å; F871-W883 HydrophobicContact CZ-CZ3 3.67Å; F871-L891 HydrophobicContact CE1-CD2 4.47Å; F871-D893 HydrophobicContact CD1-CB 4.14Å; F871-D893 HydrophobicContact CD2-CB 4.42Å; F871-D893 HydrophobicContact CE1-CB 3.76Å; F871-D893 HydrophobicContact CE2-CB 4.07Å; F871-D893 HydrophobicContact CG-CB 4.45Å; F871-D893 HydrophobicContact CZ-CB 3.73Å; F871-W899 AromaticContact CE2-CD2 3.9Å; F871-W899 HydrophobicContact CE2-CD2 3.9Å; F871-W899 AromaticContact CE2-CE2 3.78Å; F871-W899 HydrophobicContact CE2-CE3 4.41Å; F871-W899 HydrophobicContact CE2-CG 4.15Å; F871-W899 HydrophobicContact CE2-CZ2 4.24Å; F871-W899 AromaticContact CE2-NE1 3.87Å; F871-W899 HydrophobicContact CZ-CB 4.42Å; F871-W899 AromaticContact CZ-CD1 3.77Å; F871-W899 HydrophobicContact CZ-CD2 4.12Å; F871-W899 AromaticContact CZ-CG 3.87Å; F871-W899 HydrophobicContact CZ-CG 3.87Å; F871-W899 AromaticContact CZ-NE1 3.99Å; F871-L907 HydrophobicContact CD2-CD2 3.87Å; F871-L907 HydrophobicContact CE2-CD2 3.93Å
872	W	92.8	Very high	92.2	Very high	135 Å²	135	56.2 Å²	56.2	51%	0.511	27%	0.27	S	S	.	.			trans	-63.4	148.9	175.7	-69.8	8.7	0	0	0	110.9	R874 R875 L876 S894 Y895	W872-R874 PolarHBondContact O-N 3.11Å; W872-R875 PolarHBondContact O-N 3.37Å; W872-L876 PolarHBondContact O-N 3.12Å; W872-S894 PolarHBondContact N-OG 3.28Å; W872-Y895 HydrophobicContact CZ2-CE1 4.44Å; W872-Y895 AromaticContact NE1-CZ 3.77Å; W872-Y895 PolarHBondContact NE1-OH 2.97Å
873	P	90.1	Very high	92	Very high	64 Å²	64	56.2 Å²	56.2	42%	0.416	27%	0.27	S	S	.	.	H	α-helix	trans	-51.8	-33.2	-176.9	-30.1	35.5	0	0	0	114.7	F863 L876	F863-P873 HydrophobicContact CB-CG 4.45Å; F863-P873 HydrophobicContact CD1-CB 4.14Å; F863-P873 HydrophobicContact CD1-CG 4.14Å; F863-P873 HydrophobicContact CE1-CB 4.41Å; F863-P873 HydrophobicContact CG-CG 4.49Å; P873-L876 PolarHBondContact O-N 3.39Å
874	R	90.2	Very high	91.6	Very high	227 Å²	227	55.3 Å²	55.3	86%	0.857	27%	0.268	S	S	*	.	H	α-helix	trans	-66.4	-34.1	176.7	-68	-176	177.6	178.6	-0.4	113.6	W872 L876	W872-R874 PolarHBondContact O-N 3.11Å; R874-L876 VanDerWaalsContact C-N 3.34Å
875	R	90.9	Very high	91.2	Very high	81 Å²	81	55.8 Å²	55.8	31%	0.306	27%	0.273	S	S	.	.	H	α-helix	trans	-77.7	-22.8	179.1	179.3	55.4	-177.7	128.6	-1	112.1	W872 I879 E882 S894	W872-R875 PolarHBondContact O-N 3.37Å; R875-I879 HydrophobicContact CG-CD1 4.23Å; R875-E882 IonicContact CZ-OE2 3.62Å; R875-E882 IonicContact NH1-OE2 3.56Å; R875-E882 IonicContact NH2-OE2 2.78Å; R875-E882 PolarHBondContact NH2-OE2 2.72Å; R875-S894 WeakPolarHBondContact CB-OG 3.46Å
876	L	90.8	Very high	90.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-72.3	-25.8	-177.9	-67.4	173.2	0	0	0	113.4	L791 P792 Y862 F863 M866 F871 W872 P873 R874 G878 I879	L791-L876 VanDerWaalsContact CD2-C 3.48Å; L791-L876 HydrophobicContact CD2-CB 3.89Å; L791-L876 WeakPolarHBondContact CD2-O 3.37Å; P792-L876 HydrophobicContact CG-CD2 4.21Å; Y862-L876 HydrophobicContact CE1-CD1 4.15Å; F863-L876 HydrophobicContact CD1-CD1 3.81Å; F863-L876 HydrophobicContact CE1-CD1 3.92Å; M866-L876 HydrophobicContact CB-CD1 3.8Å; M866-L876 HydrophobicContact CG-CD1 3.98Å; M866-L876 HydrophobicContact CG-CD2 4.31Å; M866-L876 HydrophobicContact SD-CD2 4.16Å; F871-L876 HydrophobicContact CB-CD2 3.71Å; F871-L876 HydrophobicContact CB-CG 4.24Å; F871-L876 HydrophobicContact CG-CD2 4.38Å; W872-L876 PolarHBondContact O-N 3.12Å; P873-L876 PolarHBondContact O-N 3.39Å; R874-L876 VanDerWaalsContact C-N 3.34Å; L876-G878 PolarHBondContact O-N 3.16Å; L876-I879 HydrophobicContact CD2-CG2 4.44Å; L876-I879 WeakPolarHBondContact O-CG2 3.37Å; L876-I879 PolarHBondContact O-N 3.4Å
877	L	90.5	Very high	90.2	Very high	105 Å²	105	65 Å²	65	55%	0.55	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	120.8	-178.9	-67.6	171.5	0	0	0	111	F789 L791 I879	F789-L877 HydrophobicContact CB-CD2 4.04Å; F789-L877 HydrophobicContact CD1-CD2 4.15Å; F789-L877 HydrophobicContact CG-CD2 4.38Å; L791-L877 HydrophobicContact CD2-CD2 4.03Å; L877-I879 PolarHBondContact O-N 3.42Å
878	G	87.7	Confident	89.9	Confident	49 Å²	49	65.8 Å²	65.8	51%	0.505	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	3.1	-179.6	0	0	0	0	0	115.7	F789 G790 L876 R880	F789-G878 PolarHBondContact O-N 3.41Å; G790-G878 CarbonylContact O-C 3.59Å; G790-G878 WeakPolarHBondContact O-CA 3.01Å; G790-G878 PolarHBondContact O-N 3.17Å; L876-G878 PolarHBondContact O-N 3.16Å; G878-R880 PolarHBondContact O-N 3.09Å
879	I	92.1	Very high	89.6	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19	-176.8	-157.2	172.2	0	0	0	112.7	G790 P792 F871 R875 L876 L877 K881 E882 W883 L891	G790-I879 PolarHBondContact O-N 2.8Å; P792-I879 HydrophobicContact CG-CG2 3.82Å; F871-I879 HydrophobicContact CD1-CD1 4.03Å; F871-I879 HydrophobicContact CE1-CD1 4.08Å; R875-I879 HydrophobicContact CG-CD1 4.23Å; L876-I879 HydrophobicContact CD2-CG2 4.44Å; L876-I879 WeakPolarHBondContact O-CG2 3.37Å; L876-I879 PolarHBondContact O-N 3.4Å; L877-I879 PolarHBondContact O-N 3.42Å; I879-K881 VanDerWaalsContact C-N 3.28Å; I879-K881 PolarHBondContact O-N 3.46Å; I879-K881 VanDerWaalsContact O-N 3.1Å; I879-E882 CarbonylContact O-C 3.41Å; I879-E882 WeakPolarHBondContact O-CA 3.38Å; I879-E882 WeakPolarHBondContact O-CB 3.22Å; I879-E882 PolarHBondContact O-N 3.12Å; I879-W883 HydrophobicContact CD1-CE3 4.21Å; I879-W883 HydrophobicContact CG2-CB 4.41Å; I879-W883 HydrophobicContact CG2-CE3 4.4Å; I879-W883 WeakPolarHBondContact O-CB 3.37Å; I879-W883 PolarHBondContact O-N 2.99Å; I879-L891 HydrophobicContact CD1-CD2 4.08Å; I879-L891 HydrophobicContact CG1-CD2 4.29Å
880	R	89.3	Confident	89.4	Confident	19 Å²	19	66.3 Å²	66.3	7%	0.072	34%	0.343	C	S	.	.	H	α-helix	trans	-47.6	-42.7	-174.6	-174.8	-169.4	81.6	84.2	9.6	114.3	Y309 E313 Y786 G790 G878 E882 W883 D884	Y309-R880 VanDerWaalsContact CD1-NH2 3.27Å; Y309-R880 PolarHBondContact OH-NE 3.06Å; E313-R880 IonicContact OE2-NH1 3.15Å; E313-R880 IonicContact OE2-NH2 3.92Å; Y786-R880 HydrophobicContact CD2-CG 4.43Å; Y786-R880 VanDerWaalsContact CE2-CD 3.47Å; Y786-R880 HydrophobicContact CE2-CG 3.65Å; Y786-R880 PolarHBondContact OH-NH1 3.24Å; Y786-R880 VanDerWaalsContact OH-NH1 3.12Å; G790-R880 WeakPolarHBondContact O-CB 3.36Å; G790-R880 PolarHBondContact O-N 3.26Å; G878-R880 PolarHBondContact O-N 3.09Å; R880-E882 VanDerWaalsContact C-N 3.32Å; R880-E882 PolarHBondContact O-N 3.35Å; R880-W883 CarbonylContact O-C 3.55Å; R880-W883 PolarHBondContact O-N 3.48Å; R880-W883 VanDerWaalsContact O-N 3.13Å; R880-D884 VanDerWaalsContact CG-OD2 3.31Å; R880-D884 WeakPolarHBondContact CG-OD2 3.16Å; R880-D884 IonicContact NH1-OD2 3.85Å; R880-D884 WeakPolarHBondContact O-CB 3.3Å; R880-D884 PolarHBondContact O-N 3.48Å
881	K	85.8	Confident	89.4	Confident	155 Å²	155	66.5 Å²	66.5	67%	0.674	34%	0.344	S	S	*	.	H	α-helix	trans	-61.1	-42.1	179.8	-70.9	-175.2	179.4	-180	0	111.9	I879 S885	I879-K881 VanDerWaalsContact C-N 3.28Å; I879-K881 PolarHBondContact O-N 3.46Å; I879-K881 VanDerWaalsContact O-N 3.1Å; K881-S885 WeakPolarHBondContact O-CB 3.48Å; K881-S885 PolarHBondContact O-N 2.85Å
882	E	90.6	Very high	89.2	Confident	80 Å²	80	69 Å²	69	37%	0.374	36%	0.362	S	S	.	.	H	α-helix	trans	-70.5	-45.4	173.2	-66.3	169.8	-165	0	0	109.2	R875 I879 R880 D884 S885 L891 R904	R875-E882 IonicContact CZ-OE2 3.62Å; R875-E882 IonicContact NH1-OE2 3.56Å; R875-E882 IonicContact NH2-OE2 2.78Å; R875-E882 PolarHBondContact NH2-OE2 2.72Å; I879-E882 CarbonylContact O-C 3.41Å; I879-E882 WeakPolarHBondContact O-CA 3.38Å; I879-E882 WeakPolarHBondContact O-CB 3.22Å; I879-E882 PolarHBondContact O-N 3.12Å; R880-E882 VanDerWaalsContact C-N 3.32Å; R880-E882 PolarHBondContact O-N 3.35Å; E882-D884 PolarHBondContact O-N 3.06Å; E882-S885 PolarHBondContact O-N 3.48Å; E882-L891 HydrophobicContact CB-CD1 3.79Å; E882-L891 HydrophobicContact CG-CD1 4.47Å; E882-L891 WeakPolarHBondContact OE2-CD1 3.06Å; E882-R904 PolarHBondContact O-NH1 2.91Å
883	W	91.6	Very high	89.2	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-37.2	-175.9	-164.9	-85.1	0	0	0	115.4	P792 M866 F871 I879 R880 L891 R904 L907 E908	P792-W883 HydrophobicContact CB-CD2 4.02Å; P792-W883 HydrophobicContact CB-CG 4.13Å; P792-W883 HydrophobicContact CB-CZ2 4.2Å; P792-W883 HydrophobicContact CG-CB 4.47Å; P792-W883 HydrophobicContact CG-CD2 3.54Å; P792-W883 HydrophobicContact CG-CE3 3.8Å; P792-W883 HydrophobicContact CG-CG 3.83Å; P792-W883 HydrophobicContact CG-CH2 4.38Å; P792-W883 HydrophobicContact CG-CZ2 4.18Å; P792-W883 HydrophobicContact CG-CZ3 4.21Å; M866-W883 HydrophobicContact CE-CH2 4.05Å; M866-W883 HydrophobicContact CE-CZ2 4.08Å; M866-W883 HydrophobicContact SD-CH2 4.15Å; F871-W883 AromaticContact CD1-CZ3 3.93Å; F871-W883 HydrophobicContact CD1-CZ3 3.93Å; F871-W883 HydrophobicContact CD2-CH2 4.31Å; F871-W883 HydrophobicContact CD2-CZ3 4.19Å; F871-W883 HydrophobicContact CE1-CE3 4.43Å; F871-W883 AromaticContact CE1-CZ3 3.67Å; F871-W883 HydrophobicContact CE1-CZ3 3.67Å; F871-W883 HydrophobicContact CE2-CH2 4.11Å; F871-W883 AromaticContact CE2-CZ3 3.94Å; F871-W883 HydrophobicContact CE2-CZ3 3.94Å; F871-W883 HydrophobicContact CG-CZ3 4.18Å; F871-W883 HydrophobicContact CZ-CH2 4.27Å; F871-W883 AromaticContact CZ-CZ3 3.67Å; F871-W883 HydrophobicContact CZ-CZ3 3.67Å; I879-W883 HydrophobicContact CD1-CE3 4.21Å; I879-W883 HydrophobicContact CG2-CB 4.41Å; I879-W883 HydrophobicContact CG2-CE3 4.4Å; I879-W883 WeakPolarHBondContact O-CB 3.37Å; I879-W883 PolarHBondContact O-N 2.99Å; R880-W883 CarbonylContact O-C 3.55Å; R880-W883 PolarHBondContact O-N 3.48Å; R880-W883 VanDerWaalsContact O-N 3.13Å; W883-L891 HydrophobicContact CE3-CD2 3.83Å; W883-L891 HydrophobicContact CZ3-CD2 4.45Å; W883-R904 HydrophobicContact CD2-CB 4.4Å; W883-R904 HydrophobicContact CE3-CB 4.48Å; W883-R904 HydrophobicContact CH2-CB 3.89Å; W883-R904 HydrophobicContact CZ2-CB 3.76Å; W883-R904 VanDerWaalsContact CZ2-O 3.3Å; W883-R904 WeakPolarHBondContact CZ2-O 3.31Å; W883-R904 HydrophobicContact CZ3-CB 4.24Å; W883-R904 PolarHBondContact O-NH1 3.2Å; W883-L907 HydrophobicContact CH2-CD2 4.19Å; W883-E908 HydrophobicContact CZ2-CB 4.22Å; W883-E908 PolarHBondContact NE1-OE2 3.04Å
884	D	86.7	Confident	89.4	Confident	44 Å²	44	62 Å²	62	24%	0.235	33%	0.334	C	S	.	.	H	α-helix	trans	-94.2	-16.7	-179.5	-69.2	-25	0	0	0	112.3	Y786 R880 E882 R886 K905	Y786-D884 PolarHBondContact OH-OD2 2.96Å; R880-D884 VanDerWaalsContact CG-OD2 3.31Å; R880-D884 WeakPolarHBondContact CG-OD2 3.16Å; R880-D884 IonicContact NH1-OD2 3.85Å; R880-D884 WeakPolarHBondContact O-CB 3.3Å; R880-D884 PolarHBondContact O-N 3.48Å; E882-D884 PolarHBondContact O-N 3.06Å; D884-R886 PolarHBondContact O-N 3.39Å; D884-K905 IonicContact OD1-NZ 2.87Å; D884-K905 PolarHBondContact OD1-NZ 3.4Å
885	S	87.1	Confident	89.5	Confident	42 Å²	42	58 Å²	58	29%	0.294	32%	0.32	S	S	.	.			trans	-73.6	111.3	-179.3	178.1	0	0	0	0	111.9	K881 E882 A887 V888 R904	K881-S885 WeakPolarHBondContact O-CB 3.48Å; K881-S885 PolarHBondContact O-N 2.85Å; E882-S885 PolarHBondContact O-N 3.48Å; S885-A887 PolarHBondContact O-N 3.25Å; S885-A887 PolarHBondContact OG-N 2.87Å; S885-V888 PolarHBondContact O-N 3.44Å; S885-V888 VanDerWaalsContact O-N 3.1Å; S885-R904 PolarHBondContact O-NH2 3.09Å
886	R	83.2	Confident	89.4	Confident	99 Å²	99	56.6 Å²	56.6	37%	0.374	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.6	175.2	-64.4	179.3	-173.9	-171.9	-1	113.9	E118 D884 V888 Y901	E118-R886 IonicContact OE1-NH1 2.66Å; E118-R886 PolarHBondContact OE1-NH1 3.05Å; E118-R886 IonicContact OE2-CZ 3.66Å; E118-R886 IonicContact OE2-NH1 2.72Å; E118-R886 PolarHBondContact OE2-NH1 3.01Å; D884-R886 PolarHBondContact O-N 3.39Å; R886-V888 PolarHBondContact O-N 3.32Å; R886-Y901 HydrophobicContact CG-CD1 4.22Å; R886-Y901 HydrophobicContact CG-CD2 4.05Å; R886-Y901 HydrophobicContact CG-CE1 3.92Å; R886-Y901 HydrophobicContact CG-CE2 3.71Å; R886-Y901 HydrophobicContact CG-CG 4.28Å
887	A	86.7	Confident	89.5	Confident	96 Å²	96	61.9 Å²	61.9	79%	0.793	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.6	177.3	0	0	0	0	0	113	S885	S885-A887 PolarHBondContact O-N 3.25Å; S885-A887 PolarHBondContact OG-N 2.87Å
888	V	87.9	Confident	89.6	Confident	45 Å²	45	63.9 Å²	63.9	27%	0.273	36%	0.362	S	S	.	.			trans	-93.8	98.2	177.5	-177.2	0	0	0	0	109	S885 R886 L891 R904	S885-V888 PolarHBondContact O-N 3.44Å; S885-V888 VanDerWaalsContact O-N 3.1Å; R886-V888 PolarHBondContact O-N 3.32Å; V888-L891 HydrophobicContact CG1-CB 4.05Å; V888-L891 HydrophobicContact CG1-CD1 4.45Å; V888-R904 VanDerWaalsContact O-CZ 3.32Å; V888-R904 PolarHBondContact O-NH2 3.29Å
889	D	88.1	Confident	89.9	Confident	96 Å²	96	63.4 Å²	63.4	51%	0.513	35%	0.345	S	S	.	.			trans	-103.4	2	178.9	-148.3	32.3	0	0	0	114	W899 T900 Y901	D889-W899 CarbonylContact C-O 3.5Å; D889-T900 VanDerWaalsContact O-CA 3.31Å; D889-T900 WeakPolarHBondContact O-CA 3.42Å; D889-T900 WeakPolarHBondContact OD1-CA 3.49Å; D889-T900 WeakPolarHBondContact OD1-CB 2.93Å; D889-Y901 PolarHBondContact OD1-N 2.9Å
890	A	89.4	Confident	90	Very high	53 Å²	53	65.3 Å²	65.3	44%	0.438	36%	0.357	S	S	.	.			trans	-132.1	61.1	177.4	0	0	0	0	0	110.4	S892 E898	A890-S892 PolarHBondContact O-N 3.37Å; A890-E898 HydrophobicContact CB-CB 4.18Å; A890-E898 HydrophobicContact CB-CG 4.18Å
891	L	91.2	Very high	90.1	Very high	5 Å²	5	67.5 Å²	67.5	3%	0.026	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.2	178	-179	59.3	0	0	0	110	F871 I879 E882 W883 V888 D893 W899	F871-L891 HydrophobicContact CE1-CD2 4.47Å; I879-L891 HydrophobicContact CD1-CD2 4.08Å; I879-L891 HydrophobicContact CG1-CD2 4.29Å; E882-L891 HydrophobicContact CB-CD1 3.79Å; E882-L891 HydrophobicContact CG-CD1 4.47Å; E882-L891 WeakPolarHBondContact OE2-CD1 3.06Å; W883-L891 HydrophobicContact CE3-CD2 3.83Å; W883-L891 HydrophobicContact CZ3-CD2 4.45Å; V888-L891 HydrophobicContact CG1-CB 4.05Å; V888-L891 HydrophobicContact CG1-CD1 4.45Å; L891-D893 PolarHBondContact O-N 2.96Å; L891-W899 PolarHBondContact N-O 2.92Å; L891-W899 VanDerWaalsContact N-O 3.12Å; L891-W899 PolarHBondContact O-N 2.91Å
892	S	91.2	Very high	90.3	Very high	54 Å²	54	68.5 Å²	68.5	38%	0.378	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.2	176.5	-176.5	0	0	0	0	111.8	A890 Q897	A890-S892 PolarHBondContact O-N 3.37Å; S892-Q897 WeakPolarHBondContact CA-O 3.34Å
893	D	92.4	Very high	90.4	Very high	6 Å²	6	69.2 Å²	69.2	3%	0.032	37%	0.373	C	S	.	.			trans	-79.7	-171.4	167.7	75.3	11.7	0	0	0	112	G870 F871 L891 Y895 G896 Q897 W899	G870-D893 WeakPolarHBondContact O-CB 3.2Å; F871-D893 HydrophobicContact CD1-CB 4.14Å; F871-D893 HydrophobicContact CD2-CB 4.42Å; F871-D893 HydrophobicContact CE1-CB 3.76Å; F871-D893 HydrophobicContact CE2-CB 4.07Å; F871-D893 HydrophobicContact CG-CB 4.45Å; F871-D893 HydrophobicContact CZ-CB 3.73Å; L891-D893 PolarHBondContact O-N 2.96Å; D893-Y895 VanDerWaalsContact C-N 3.3Å; D893-Y895 VanDerWaalsContact OD1-C 3.32Å; D893-Y895 VanDerWaalsContact OD1-CA 3.31Å; D893-Y895 WeakPolarHBondContact OD1-CA 3.5Å; D893-Y895 WeakPolarHBondContact OD1-CB 3.3Å; D893-Y895 PolarHBondContact OD1-N 3.21Å; D893-G896 PolarHBondContact O-N 3.41Å; D893-G896 PolarHBondContact OD1-N 3.37Å; D893-Q897 PolarHBondContact N-O 3.42Å; D893-Q897 PolarHBondContact OD1-N 3Å; D893-Q897 WeakPolarHBondContact OD2-CB 3.39Å; D893-W899 PolarHBondContact OD2-NE1 3.23Å
894	S	93.1	Very high	90.5	Very high	46 Å²	46	69.2 Å²	69.2	32%	0.322	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.6	-179.1	-43.6	0	0	0	0	113.3	G870 W872 R875	G870-S894 WeakPolarHBondContact O-CA 2.99Å; G870-S894 WeakPolarHBondContact O-CB 3.46Å; G870-S894 PolarHBondContact O-N 3.09Å; G870-S894 PolarHBondContact O-OG 3.16Å; W872-S894 PolarHBondContact N-OG 3.28Å; R875-S894 WeakPolarHBondContact CB-OG 3.46Å
895	Y	92.3	Very high	90.8	Very high	141 Å²	141	69.1 Å²	69.1	55%	0.553	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-3.7	173.3	-67	-66.2	0	0	0	112.5	G870 W872 D893	G870-Y895 VanDerWaalsContact CA-CD2 3.43Å; W872-Y895 HydrophobicContact CZ2-CE1 4.44Å; W872-Y895 AromaticContact NE1-CZ 3.77Å; W872-Y895 PolarHBondContact NE1-OH 2.97Å; D893-Y895 VanDerWaalsContact C-N 3.3Å; D893-Y895 VanDerWaalsContact OD1-C 3.32Å; D893-Y895 VanDerWaalsContact OD1-CA 3.31Å; D893-Y895 WeakPolarHBondContact OD1-CA 3.5Å; D893-Y895 WeakPolarHBondContact OD1-CB 3.3Å; D893-Y895 PolarHBondContact OD1-N 3.21Å
896	G	89.7	Confident	91	Very high	52 Å²	52	74.8 Å²	74.8	54%	0.536	39%	0.386	S	S	.	.	S	Bend	trans	84	14.4	-177.5	0	0	0	0	0	114.3	D893	D893-G896 PolarHBondContact O-N 3.41Å; D893-G896 PolarHBondContact OD1-N 3.37Å
897	Q	92.7	Very high	91.5	Very high	112 Å²	112	70.5 Å²	70.5	52%	0.523	37%	0.37	S	S	.	.			trans	-83	143.2	175.5	-50.1	177.7	32	0	0	110.2	S892 D893	S892-Q897 WeakPolarHBondContact CA-O 3.34Å; D893-Q897 PolarHBondContact N-O 3.42Å; D893-Q897 PolarHBondContact OD1-N 3Å; D893-Q897 WeakPolarHBondContact OD2-CB 3.39Å
898	E	93.2	Very high	91.9	Very high	147 Å²	147	66.7 Å²	66.7	69%	0.687	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	127	178.8	-65	-178.6	168.2	0	0	111.1	A890	A890-E898 HydrophobicContact CB-CB 4.18Å; A890-E898 HydrophobicContact CB-CG 4.18Å
899	W	94.3	Very high	92.1	Very high	38 Å²	38	65.6 Å²	65.6	14%	0.144	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.2	-179.9	-71.8	72	0	0	0	111.8	N869 F871 D889 L891 D893 Q903 L907	N869-W899 HydrophobicContact CB-CH2 4.21Å; N869-W899 HydrophobicContact CB-CZ2 4.44Å; N869-W899 WeakPolarHBondContact O-CZ2 3.16Å; F871-W899 AromaticContact CE2-CD2 3.9Å; F871-W899 HydrophobicContact CE2-CD2 3.9Å; F871-W899 AromaticContact CE2-CE2 3.78Å; F871-W899 HydrophobicContact CE2-CE3 4.41Å; F871-W899 HydrophobicContact CE2-CG 4.15Å; F871-W899 HydrophobicContact CE2-CZ2 4.24Å; F871-W899 AromaticContact CE2-NE1 3.87Å; F871-W899 HydrophobicContact CZ-CB 4.42Å; F871-W899 AromaticContact CZ-CD1 3.77Å; F871-W899 HydrophobicContact CZ-CD2 4.12Å; F871-W899 AromaticContact CZ-CG 3.87Å; F871-W899 HydrophobicContact CZ-CG 3.87Å; F871-W899 AromaticContact CZ-NE1 3.99Å; D889-W899 CarbonylContact C-O 3.5Å; L891-W899 PolarHBondContact N-O 2.92Å; L891-W899 VanDerWaalsContact N-O 3.12Å; L891-W899 PolarHBondContact O-N 2.91Å; D893-W899 PolarHBondContact OD2-NE1 3.23Å; W899-Q903 HydrophobicContact CE3-CB 3.7Å; W899-Q903 HydrophobicContact CZ3-CB 4.18Å; W899-L907 HydrophobicContact CH2-CD2 4.13Å; W899-L907 HydrophobicContact CZ3-CB 4.28Å; W899-L907 HydrophobicContact CZ3-CD2 4.07Å
900	T	94.4	Very high	92.4	Very high	41 Å²	41	61.7 Å²	61.7	25%	0.252	31%	0.31	S	S	.	.			trans	-69.8	159.1	171.6	60.9	0	0	0	0	112.2	D889 K902 Q903 R904	D889-T900 VanDerWaalsContact O-CA 3.31Å; D889-T900 WeakPolarHBondContact O-CA 3.42Å; D889-T900 WeakPolarHBondContact OD1-CA 3.49Å; D889-T900 WeakPolarHBondContact OD1-CB 2.93Å; T900-K902 PolarHBondContact O-N 3.11Å; T900-Q903 PolarHBondContact O-N 3.4Å; T900-Q903 VanDerWaalsContact O-N 3.15Å; T900-Q903 WeakPolarHBondContact OG1-CB 3.44Å; T900-Q903 WeakPolarHBondContact OG1-CG 3.4Å; T900-Q903 PolarHBondContact OG1-N 3.22Å; T900-Q903 PolarHBondContact OG1-OE1 3Å; T900-R904 VanDerWaalsContact O-CG 3.31Å; T900-R904 WeakPolarHBondContact O-CG 3.42Å; T900-R904 PolarHBondContact O-N 3.37Å
901	Y	90.9	Very high	92.7	Very high	65 Å²	65	59.1 Å²	59.1	26%	0.255	29%	0.289	S	S	.	.	H	α-helix	trans	-51.2	-43.6	172.9	-178	-104.7	0	0	0	112.8	R886 D889 R904 K905	R886-Y901 HydrophobicContact CG-CD1 4.22Å; R886-Y901 HydrophobicContact CG-CD2 4.05Å; R886-Y901 HydrophobicContact CG-CE1 3.92Å; R886-Y901 HydrophobicContact CG-CE2 3.71Å; R886-Y901 HydrophobicContact CG-CG 4.28Å; D889-Y901 PolarHBondContact OD1-N 2.9Å; Y901-R904 VanDerWaalsContact CD2-NH2 3.32Å; Y901-R904 WeakPolarHBondContact O-CG 3.33Å; Y901-K905 HydrophobicContact CD1-CG 4.35Å; Y901-K905 HydrophobicContact CD2-CG 4.08Å; Y901-K905 HydrophobicContact CE1-CG 3.97Å; Y901-K905 HydrophobicContact CE2-CD 4.18Å; Y901-K905 HydrophobicContact CE2-CG 3.71Å; Y901-K905 HydrophobicContact CG-CG 4.41Å; Y901-K905 WeakPolarHBondContact O-CB 3.1Å; Y901-K905 VanDerWaalsContact O-CG 3.31Å; Y901-K905 WeakPolarHBondContact O-CG 3.36Å; Y901-K905 PolarHBondContact O-N 3.47Å
902	K	90	Very high	92.8	Very high	177 Å²	177	59.5 Å²	59.5	77%	0.77	29%	0.29	S	S	*	.	H	α-helix	trans	-68.7	-40.3	-179.7	-167.5	175.5	-178.2	177.9	0	112.5	T900 R906	T900-K902 PolarHBondContact O-N 3.11Å; K902-R906 WeakPolarHBondContact O-CB 3.38Å; K902-R906 PolarHBondContact O-N 2.92Å
903	Q	93.3	Very high	93	Very high	95 Å²	95	57 Å²	57	44%	0.444	27%	0.272	S	S	.	.	H	α-helix	trans	-66.5	-45.6	179.9	-75	163.5	-36.1	0	0	111.6	W899 T900 R906 L907	W899-Q903 HydrophobicContact CE3-CB 3.7Å; W899-Q903 HydrophobicContact CZ3-CB 4.18Å; T900-Q903 PolarHBondContact O-N 3.4Å; T900-Q903 VanDerWaalsContact O-N 3.15Å; T900-Q903 WeakPolarHBondContact OG1-CB 3.44Å; T900-Q903 WeakPolarHBondContact OG1-CG 3.4Å; T900-Q903 PolarHBondContact OG1-N 3.22Å; T900-Q903 PolarHBondContact OG1-OE1 3Å; Q903-R906 WeakPolarHBondContact O-CB 3.24Å; Q903-R906 PolarHBondContact O-N 3.41Å; Q903-L907 PolarHBondContact O-N 3.01Å
904	R	93.8	Very high	93.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-70	-36.8	178.9	65.5	-158.3	165.7	114.2	6.9	113.1	E882 W883 S885 V888 T900 Y901 R906 L907 E908	E882-R904 PolarHBondContact O-NH1 2.91Å; W883-R904 HydrophobicContact CD2-CB 4.4Å; W883-R904 HydrophobicContact CE3-CB 4.48Å; W883-R904 HydrophobicContact CH2-CB 3.89Å; W883-R904 HydrophobicContact CZ2-CB 3.76Å; W883-R904 VanDerWaalsContact CZ2-O 3.3Å; W883-R904 WeakPolarHBondContact CZ2-O 3.31Å; W883-R904 HydrophobicContact CZ3-CB 4.24Å; W883-R904 PolarHBondContact O-NH1 3.2Å; S885-R904 PolarHBondContact O-NH2 3.09Å; V888-R904 VanDerWaalsContact O-CZ 3.32Å; V888-R904 PolarHBondContact O-NH2 3.29Å; T900-R904 VanDerWaalsContact O-CG 3.31Å; T900-R904 WeakPolarHBondContact O-CG 3.42Å; T900-R904 PolarHBondContact O-N 3.37Å; Y901-R904 VanDerWaalsContact CD2-NH2 3.32Å; Y901-R904 WeakPolarHBondContact O-CG 3.33Å; R904-R906 VanDerWaalsContact C-N 3.32Å; R904-R906 PolarHBondContact O-N 3.46Å; R904-L907 WeakPolarHBondContact O-CB 3.47Å; R904-L907 PolarHBondContact O-N 2.82Å; R904-E908 WeakPolarHBondContact O-CB 3.48Å; R904-E908 PolarHBondContact O-N 3.27Å
905	K	91.5	Very high	93.3	Very high	41 Å²	41	54.5 Å²	54.5	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-31.1	172.5	-70.9	-60.4	-179.8	-176.7	0	113.5	D884 Y901 E908 S909	D884-K905 IonicContact OD1-NZ 2.87Å; D884-K905 PolarHBondContact OD1-NZ 3.4Å; Y901-K905 HydrophobicContact CD1-CG 4.35Å; Y901-K905 HydrophobicContact CD2-CG 4.08Å; Y901-K905 HydrophobicContact CE1-CG 3.97Å; Y901-K905 HydrophobicContact CE2-CD 4.18Å; Y901-K905 HydrophobicContact CE2-CG 3.71Å; Y901-K905 HydrophobicContact CG-CG 4.41Å; Y901-K905 WeakPolarHBondContact O-CB 3.1Å; Y901-K905 VanDerWaalsContact O-CG 3.31Å; Y901-K905 WeakPolarHBondContact O-CG 3.36Å; Y901-K905 PolarHBondContact O-N 3.47Å; K905-E908 WeakPolarHBondContact CD-OE2 3.48Å; K905-E908 WeakPolarHBondContact CE-OE2 3.48Å; K905-E908 IonicContact NZ-OE1 2.71Å; K905-E908 PolarHBondContact NZ-OE1 3.01Å; K905-E908 IonicContact NZ-OE2 3.49Å; K905-E908 PolarHBondContact NZ-OE2 2.96Å; K905-S909 PolarHBondContact O-N 3.49Å; K905-S909 PolarHBondContact O-OG 3.29Å
906	R	92.7	Very high	93.5	Very high	162 Å²	162	47.8 Å²	47.8	61%	0.611	23%	0.229	S	C	*	.	H	α-helix	trans	-65.9	-43.3	169.9	-173.1	-178.5	180	178.2	3.8	111.4	K902 Q903 R904 S909 T910 M974	K902-R906 WeakPolarHBondContact O-CB 3.38Å; K902-R906 PolarHBondContact O-N 2.92Å; Q903-R906 WeakPolarHBondContact O-CB 3.24Å; Q903-R906 PolarHBondContact O-N 3.41Å; R904-R906 VanDerWaalsContact C-N 3.32Å; R904-R906 PolarHBondContact O-N 3.46Å; R906-S909 PolarHBondContact O-N 3.38Å; R906-T910 WeakPolarHBondContact O-CB 3.15Å; R906-T910 PolarHBondContact O-N 2.92Å; R906-T910 PolarHBondContact O-OG1 3.36Å; R906-M974 HydrophobicContact CG-CE 3.52Å; R906-M974 HydrophobicContact CG-SD 4.39Å
907	L	93.9	Very high	93.7	Very high	9 Å²	9	45.3 Å²	45.3	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-44.6	174	179.5	58.8	0	0	0	111.5	I865 M866 N869 F871 W883 W899 Q903 R904 S909 T910 C911	I865-L907 HydrophobicContact CG2-CD1 4.05Å; M866-L907 HydrophobicContact SD-CD2 4.12Å; M866-L907 HydrophobicContact SD-CG 4.34Å; N869-L907 HydrophobicContact CB-CD1 3.81Å; N869-L907 HydrophobicContact CB-CD2 3.68Å; N869-L907 HydrophobicContact CB-CG 4.44Å; F871-L907 HydrophobicContact CD2-CD2 3.87Å; F871-L907 HydrophobicContact CE2-CD2 3.93Å; W883-L907 HydrophobicContact CH2-CD2 4.19Å; W899-L907 HydrophobicContact CH2-CD2 4.13Å; W899-L907 HydrophobicContact CZ3-CB 4.28Å; W899-L907 HydrophobicContact CZ3-CD2 4.07Å; Q903-L907 PolarHBondContact O-N 3.01Å; R904-L907 WeakPolarHBondContact O-CB 3.47Å; R904-L907 PolarHBondContact O-N 2.82Å; L907-S909 PolarHBondContact O-N 2.7Å; L907-T910 CarbonylContact O-C 3.55Å; L907-T910 WeakPolarHBondContact O-CA 3.29Å; L907-T910 VanDerWaalsContact O-CB 3.29Å; L907-T910 WeakPolarHBondContact O-CB 3.31Å; L907-T910 PolarHBondContact O-N 3.13Å; L907-C911 PolarHBondContact O-N 3.32Å; L907-C911 PolarHBondContact O-SG 3.49Å
908	E	93.6	Very high	93.9	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.075	18%	0.18	C	C	.	.	H	α-helix	trans	-57.4	-47.4	174.9	-175.8	-176.5	143.9	0	0	111.9	W883 R904 K905 T910 C911 Q912	W883-E908 HydrophobicContact CZ2-CB 4.22Å; W883-E908 PolarHBondContact NE1-OE2 3.04Å; R904-E908 WeakPolarHBondContact O-CB 3.48Å; R904-E908 PolarHBondContact O-N 3.27Å; K905-E908 WeakPolarHBondContact CD-OE2 3.48Å; K905-E908 WeakPolarHBondContact CE-OE2 3.48Å; K905-E908 IonicContact NZ-OE1 2.71Å; K905-E908 PolarHBondContact NZ-OE1 3.01Å; K905-E908 IonicContact NZ-OE2 3.49Å; K905-E908 PolarHBondContact NZ-OE2 2.96Å; E908-T910 PolarHBondContact O-N 2.87Å; E908-C911 WeakPolarHBondContact O-CB 3.44Å; E908-C911 PolarHBondContact O-N 2.87Å; E908-C911 VanDerWaalsContact O-N 3.14Å; E908-Q912 WeakPolarHBondContact O-CG 3.16Å; E908-Q912 PolarHBondContact O-N 3.43Å
909	S	92.7	Very high	94	Very high	21 Å²	21	33.1 Å²	33.1	15%	0.147	15%	0.147	C	C	.	.	H	α-helix	trans	-61.1	-33.4	175.8	-54.5	0	0	0	0	111.7	K905 R906 L907 Q912 T913	K905-S909 PolarHBondContact O-N 3.49Å; K905-S909 PolarHBondContact O-OG 3.29Å; R906-S909 PolarHBondContact O-N 3.38Å; L907-S909 PolarHBondContact O-N 2.7Å; S909-Q912 PolarHBondContact O-N 2.98Å; S909-T913 PolarHBondContact O-N 2.95Å; S909-T913 PolarHBondContact O-OG1 2.74Å
910	T	94.6	Very high	94.1	Very high	14 Å²	14	31.3 Å²	31.3	9%	0.086	14%	0.14	C	C	.	.	H	α-helix	trans	-71.1	-39.4	176.8	-53.8	0	0	0	0	111.4	R906 L907 E908 T913 A914 M974 L976 W980	R906-T910 WeakPolarHBondContact O-CB 3.15Å; R906-T910 PolarHBondContact O-N 2.92Å; R906-T910 PolarHBondContact O-OG1 3.36Å; L907-T910 CarbonylContact O-C 3.55Å; L907-T910 WeakPolarHBondContact O-CA 3.29Å; L907-T910 VanDerWaalsContact O-CB 3.29Å; L907-T910 WeakPolarHBondContact O-CB 3.31Å; L907-T910 PolarHBondContact O-N 3.13Å; E908-T910 PolarHBondContact O-N 2.87Å; T910-T913 PolarHBondContact O-N 2.78Å; T910-A914 WeakPolarHBondContact O-CB 3.29Å; T910-A914 PolarHBondContact O-N 3.14Å; T910-M974 HydrophobicContact CG2-CB 4.48Å; T910-M974 WeakPolarHBondContact OG1-CB 3.18Å; T910-L976 HydrophobicContact CG2-CD2 4.2Å; T910-W980 HydrophobicContact CG2-CE3 4.14Å; T910-W980 HydrophobicContact CG2-CH2 3.89Å; T910-W980 HydrophobicContact CG2-CZ3 3.3Å
911	C	95	Very high	94.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-41.7	170.6	-70.3	0	0	0	0	111.7	Y862 L907 E908 A914 F915	Y862-C911 HydrophobicContact CD2-CB 3.88Å; Y862-C911 HydrophobicContact CE2-CB 4.19Å; L907-C911 PolarHBondContact O-N 3.32Å; L907-C911 PolarHBondContact O-SG 3.49Å; E908-C911 WeakPolarHBondContact O-CB 3.44Å; E908-C911 PolarHBondContact O-N 2.87Å; E908-C911 VanDerWaalsContact O-N 3.14Å; C911-A914 PolarHBondContact O-N 2.56Å; C911-F915 WeakPolarHBondContact O-CB 3.33Å; C911-F915 PolarHBondContact O-N 3.2Å
912	Q	94.3	Very high	94.5	Very high	13 Å²	13	26.4 Å²	26.4	6%	0.061	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-44.4	176.1	-68.6	170.8	0.6	0	0	112	L793 P794 T799 E908 S909 A914 F915 F916	L793-Q912 PolarHBondContact O-NE2 2.68Å; P794-Q912 VanDerWaalsContact O-CA 3.32Å; P794-Q912 WeakPolarHBondContact O-CA 3.43Å; T799-Q912 HydrophobicContact CG2-CB 4.19Å; E908-Q912 WeakPolarHBondContact O-CG 3.16Å; E908-Q912 PolarHBondContact O-N 3.43Å; S909-Q912 PolarHBondContact O-N 2.98Å; Q912-A914 VanDerWaalsContact C-N 3.34Å; Q912-A914 PolarHBondContact O-N 3.21Å; Q912-F915 PolarHBondContact O-N 2.58Å; Q912-F916 WeakPolarHBondContact O-CB 3.31Å; Q912-F916 PolarHBondContact O-N 3.39Å
913	T	95.1	Very high	94.8	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-37.1	175.8	-47.5	0	0	0	0	112.3	S909 T910 F916 A917 M973 M974 L976	S909-T913 PolarHBondContact O-N 2.95Å; S909-T913 PolarHBondContact O-OG1 2.74Å; T910-T913 PolarHBondContact O-N 2.78Å; T913-F916 WeakPolarHBondContact O-CB 3.49Å; T913-F916 PolarHBondContact O-N 3.35Å; T913-A917 WeakPolarHBondContact O-CB 3.36Å; T913-A917 PolarHBondContact O-N 2.81Å; T913-M973 HydrophobicContact CG2-CB 4.28Å; T913-M973 HydrophobicContact CG2-SD 3.75Å; T913-M973 VanDerWaalsContact OG1-CA 3.31Å; T913-M973 WeakPolarHBondContact OG1-CA 3.32Å; T913-M973 PolarHBondContact OG1-SD 3.17Å; T913-M974 WeakPolarHBondContact CG2-O 3.36Å; T913-M974 PolarHBondContact OG1-N 3.03Å; T913-L976 HydrophobicContact CG2-CD1 4.12Å; T913-L976 HydrophobicContact CG2-CD2 4.13Å; T913-L976 HydrophobicContact CG2-CG 4Å
914	A	95.7	Very high	94.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-72	-36.9	178	0	0	0	0	0	112.7	V861 I865 T910 C911 Q912 A917 S918 L976	V861-A914 HydrophobicContact CG1-CB 3.74Å; I865-A914 HydrophobicContact CD1-CB 3.05Å; T910-A914 WeakPolarHBondContact O-CB 3.29Å; T910-A914 PolarHBondContact O-N 3.14Å; C911-A914 PolarHBondContact O-N 2.56Å; Q912-A914 VanDerWaalsContact C-N 3.34Å; Q912-A914 PolarHBondContact O-N 3.21Å; A914-A917 PolarHBondContact O-N 3.41Å; A914-S918 WeakPolarHBondContact O-CB 3.43Å; A914-S918 PolarHBondContact O-N 2.68Å; A914-L976 HydrophobicContact CB-CD1 4.33Å; A914-L976 HydrophobicContact CB-CD2 3.78Å
915	F	95.9	Very high	95	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.8	-45.5	172.4	-158.5	-64.1	0	0	0	109.7	P778 P782 P794 L795 G858 F859 C911 Q912 A917 S918 I919	P778-F915 HydrophobicContact CB-CE1 4.19Å; P778-F915 WeakPolarHBondContact O-CE1 3.29Å; P782-F915 HydrophobicContact CG-CE1 4.04Å; P782-F915 HydrophobicContact CG-CE2 4.16Å; P782-F915 HydrophobicContact CG-CZ 3.7Å; P794-F915 HydrophobicContact CB-CD2 3.89Å; P794-F915 HydrophobicContact CB-CE2 4Å; L795-F915 HydrophobicContact CB-CD1 4.21Å; L795-F915 HydrophobicContact CB-CG 4.35Å; L795-F915 HydrophobicContact CD1-CB 4.02Å; L795-F915 HydrophobicContact CD1-CD1 3.91Å; L795-F915 HydrophobicContact CD1-CG 4.24Å; L795-F915 HydrophobicContact CD2-CD1 4.22Å; L795-F915 HydrophobicContact CD2-CE1 4.42Å; L795-F915 HydrophobicContact CG-CD1 4.34Å; G858-F915 WeakPolarHBondContact O-CD2 3.16Å; G858-F915 WeakPolarHBondContact O-CE2 3.44Å; F859-F915 HydrophobicContact CD1-CE2 4.29Å; F859-F915 HydrophobicContact CE1-CE2 4.5Å; F859-F915 HydrophobicContact CG-CE2 4.29Å; C911-F915 WeakPolarHBondContact O-CB 3.33Å; C911-F915 PolarHBondContact O-N 3.2Å; Q912-F915 PolarHBondContact O-N 2.58Å; F915-A917 PolarHBondContact O-N 3.42Å; F915-S918 WeakPolarHBondContact O-CB 3.41Å; F915-S918 PolarHBondContact O-N 2.71Å; F915-S918 VanDerWaalsContact O-N 3.11Å; F915-S918 PolarHBondContact O-OG 3.49Å; F915-I919 HydrophobicContact CD1-CD1 3.79Å; F915-I919 HydrophobicContact CD1-CG1 4.08Å; F915-I919 HydrophobicContact CE1-CD1 3.86Å; F915-I919 HydrophobicContact CE1-CG1 4.13Å; F915-I919 WeakPolarHBondContact O-CG1 3.09Å; F915-I919 PolarHBondContact O-N 3.31Å
916	F	95.5	Very high	95.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-54.3	-50.8	171.3	164	-96.9	0	0	0	112.4	L795 C802 I803 T807 Q912 T913 S918 I919 V920 A958 L961 M973	L795-F916 HydrophobicContact CD1-CB 4.36Å; C802-F916 HydrophobicContact CB-CE2 4.01Å; I803-F916 HydrophobicContact CD1-CD2 3.95Å; I803-F916 HydrophobicContact CG1-CD2 3.49Å; I803-F916 VanDerWaalsContact CG1-CD2 3.49Å; I803-F916 HydrophobicContact CG1-CE2 3.65Å; T807-F916 HydrophobicContact CG2-CE2 3.99Å; T807-F916 HydrophobicContact CG2-CZ 3.68Å; Q912-F916 WeakPolarHBondContact O-CB 3.31Å; Q912-F916 PolarHBondContact O-N 3.39Å; T913-F916 WeakPolarHBondContact O-CB 3.49Å; T913-F916 PolarHBondContact O-N 3.35Å; F916-S918 PolarHBondContact O-N 2.89Å; F916-I919 PolarHBondContact O-N 3.28Å; F916-I919 VanDerWaalsContact O-N 3.14Å; F916-V920 HydrophobicContact CE2-CG2 4.42Å; F916-V920 HydrophobicContact CZ-CG2 4.22Å; F916-V920 PolarHBondContact O-N 3.43Å; F916-A958 HydrophobicContact CE1-CB 3.88Å; F916-A958 HydrophobicContact CZ-CB 4.19Å; F916-L961 HydrophobicContact CE1-CD1 4.43Å; F916-L961 HydrophobicContact CZ-CD1 3.86Å; F916-M973 HydrophobicContact CB-CE 4.28Å; F916-M973 HydrophobicContact CD1-CE 3.95Å; F916-M973 HydrophobicContact CD1-SD 4.5Å; F916-M973 HydrophobicContact CD2-CE 4.04Å; F916-M973 HydrophobicContact CE1-CE 4.32Å; F916-M973 HydrophobicContact CE2-CE 4.42Å; F916-M973 HydrophobicContact CG-CE 3.81Å
917	A	95.3	Very high	95.4	Very high	1 Å²	1	7 Å²	7	1%	0.008	4%	0.035	C	C	.	.	H	α-helix	trans	-62.5	-32.9	177.4	0	0	0	0	0	112.4	T913 A914 F915 V920 I921 L976 W981	T913-A917 WeakPolarHBondContact O-CB 3.36Å; T913-A917 PolarHBondContact O-N 2.81Å; A914-A917 PolarHBondContact O-N 3.41Å; F915-A917 PolarHBondContact O-N 3.42Å; A917-V920 PolarHBondContact O-N 3.34Å; A917-I921 WeakPolarHBondContact O-CG1 3.22Å; A917-I921 PolarHBondContact O-N 3.44Å; A917-I921 VanDerWaalsContact O-N 3.16Å; A917-L976 HydrophobicContact CB-CD1 3.69Å; A917-W981 HydrophobicContact CB-CD2 4.38Å; A917-W981 HydrophobicContact CB-CE3 4.2Å; A917-W981 HydrophobicContact CB-CH2 3.91Å; A917-W981 HydrophobicContact CB-CZ2 4.12Å; A917-W981 HydrophobicContact CB-CZ3 3.96Å
918	S	96.1	Very high	95.5	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.014	4%	0.042	C	C	.	.	H	α-helix	trans	-65.7	-38.3	175.6	80.4	0	0	0	0	112.4	G858 A914 F915 F916 I921 V922	G858-S918 WeakPolarHBondContact CA-OG 3.17Å; A914-S918 WeakPolarHBondContact O-CB 3.43Å; A914-S918 PolarHBondContact O-N 2.68Å; F915-S918 WeakPolarHBondContact O-CB 3.41Å; F915-S918 PolarHBondContact O-N 2.71Å; F915-S918 VanDerWaalsContact O-N 3.11Å; F915-S918 PolarHBondContact O-OG 3.49Å; F916-S918 PolarHBondContact O-N 2.89Å; S918-I921 PolarHBondContact O-N 2.95Å; S918-V922 WeakPolarHBondContact O-CG2 3.17Å; S918-V922 PolarHBondContact O-N 3.45Å; S918-V922 VanDerWaalsContact O-N 3.12Å
919	I	95.8	Very high	95.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62	-48.4	175.8	-67.1	171	0	0	0	109.4	P778 E779 L795 I803 F915 F916 I921 V922 Q923	P778-I919 HydrophobicContact CB-CD1 4.06Å; P778-I919 HydrophobicContact CB-CG1 4.01Å; P778-I919 HydrophobicContact CG-CD1 4.37Å; P778-I919 HydrophobicContact CG-CG1 4.27Å; E779-I919 HydrophobicContact CG-CD1 4.27Å; L795-I919 HydrophobicContact CD2-CD1 3.91Å; I803-I919 HydrophobicContact CD1-CB 4.25Å; I803-I919 HydrophobicContact CD1-CD1 3.47Å; I803-I919 VanDerWaalsContact CD1-CD1 3.47Å; I803-I919 HydrophobicContact CD1-CG1 4.45Å; I803-I919 HydrophobicContact CD1-CG2 4.1Å; I803-I919 HydrophobicContact CG2-CG2 4.29Å; F915-I919 HydrophobicContact CD1-CD1 3.79Å; F915-I919 HydrophobicContact CD1-CG1 4.08Å; F915-I919 HydrophobicContact CE1-CD1 3.86Å; F915-I919 HydrophobicContact CE1-CG1 4.13Å; F915-I919 WeakPolarHBondContact O-CG1 3.09Å; F915-I919 PolarHBondContact O-N 3.31Å; F916-I919 PolarHBondContact O-N 3.28Å; F916-I919 VanDerWaalsContact O-N 3.14Å; I919-I921 VanDerWaalsContact C-N 3.28Å; I919-I921 PolarHBondContact O-N 3.41Å; I919-V922 WeakPolarHBondContact O-CG2 3.28Å; I919-V922 PolarHBondContact O-N 2.93Å; I919-V922 VanDerWaalsContact O-N 3.16Å; I919-Q923 HydrophobicContact CG2-CG 4Å; I919-Q923 WeakPolarHBondContact O-CB 3.35Å; I919-Q923 VanDerWaalsContact O-CG 3.3Å; I919-Q923 WeakPolarHBondContact O-CG 3.19Å; I919-Q923 PolarHBondContact O-N 3.45Å
920	V	96	Very high	95.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-55.9	-42.1	176.9	173.2	0	0	0	0	112	T807 F916 A917 Q923 W924 E954 A958	T807-V920 HydrophobicContact CG2-CG2 4Å; F916-V920 HydrophobicContact CE2-CG2 4.42Å; F916-V920 HydrophobicContact CZ-CG2 4.22Å; F916-V920 PolarHBondContact O-N 3.43Å; A917-V920 PolarHBondContact O-N 3.34Å; V920-Q923 PolarHBondContact O-N 2.8Å; V920-W924 PolarHBondContact O-N 3.23Å; V920-W924 VanDerWaalsContact O-N 3.15Å; V920-W924 PolarHBondContact O-NE1 3.14Å; V920-E954 HydrophobicContact CG1-CG 3.97Å; V920-A958 HydrophobicContact CB-CB 4.41Å; V920-A958 HydrophobicContact CG1-CB 4.09Å; V920-A958 HydrophobicContact CG2-CB 3.99Å
921	I	96	Very high	95.8	Very high	3 Å²	3	6.4 Å²	6.4	2%	0.015	3%	0.029	C	C	.	.	H	α-helix	trans	-67.2	-38.9	-179.9	-68.7	170.7	0	0	0	112.6	A917 S918 I919 W924 W981 A984 L985 S988	A917-I921 WeakPolarHBondContact O-CG1 3.22Å; A917-I921 PolarHBondContact O-N 3.44Å; A917-I921 VanDerWaalsContact O-N 3.16Å; S918-I921 PolarHBondContact O-N 2.95Å; I919-I921 VanDerWaalsContact C-N 3.28Å; I919-I921 PolarHBondContact O-N 3.41Å; I921-W924 HydrophobicContact CG1-CH2 3.99Å; I921-W924 HydrophobicContact CG1-CZ2 4.21Å; I921-W924 HydrophobicContact CG1-CZ3 4.18Å; I921-W924 HydrophobicContact CG2-CE3 4.32Å; I921-W924 HydrophobicContact CG2-CZ3 4.34Å; I921-W924 WeakPolarHBondContact O-CB 3.4Å; I921-W981 HydrophobicContact CD1-CB 4.35Å; I921-W981 HydrophobicContact CD1-CE3 3.97Å; I921-W981 WeakPolarHBondContact CD1-O 3.48Å; I921-W981 HydrophobicContact CG1-CE3 4.38Å; I921-A984 HydrophobicContact CB-CB 4.13Å; I921-A984 HydrophobicContact CD1-CB 4.16Å; I921-A984 HydrophobicContact CG2-CB 3.99Å; I921-L985 HydrophobicContact CG2-CD2 3.66Å; I921-L985 HydrophobicContact CG2-CG 4.18Å; I921-S988 WeakPolarHBondContact O-CB 3.31Å; I921-S988 PolarHBondContact O-OG 2.99Å
922	V	97	Very high	95.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-76.7	-28	176.7	-61.6	0	0	0	0	111.6	Q854 S918 I919 W924 A925 D926 F987 I991	Q854-V922 HydrophobicContact CB-CB 4.46Å; Q854-V922 HydrophobicContact CB-CG2 3.71Å; Q854-V922 HydrophobicContact CG-CB 3.93Å; Q854-V922 HydrophobicContact CG-CG2 3.48Å; Q854-V922 VanDerWaalsContact CG-CG2 3.48Å; S918-V922 WeakPolarHBondContact O-CG2 3.17Å; S918-V922 PolarHBondContact O-N 3.45Å; S918-V922 VanDerWaalsContact O-N 3.12Å; I919-V922 WeakPolarHBondContact O-CG2 3.28Å; I919-V922 PolarHBondContact O-N 2.93Å; I919-V922 VanDerWaalsContact O-N 3.16Å; V922-W924 VanDerWaalsContact C-N 3.27Å; V922-W924 PolarHBondContact O-N 3.1Å; V922-A925 PolarHBondContact O-N 3.13Å; V922-D926 PolarHBondContact O-N 3.43Å; V922-F987 HydrophobicContact CG1-CB 4.15Å; V922-I991 HydrophobicContact CB-CD1 3.93Å; V922-I991 HydrophobicContact CG1-CD1 4.37Å
923	Q	96.4	Very high	95.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-66.1	-25.3	171.6	-74.9	-64.2	63.2	0	0	113	Y771 S775 D808 I919 V920 A925 D926 L927 E954	Y771-Q923 HydrophobicContact CE2-CB 4.08Å; Y771-Q923 HydrophobicContact CE2-CG 4.32Å; Y771-Q923 PolarHBondContact O-NE2 2.92Å; S775-Q923 PolarHBondContact OG-NE2 2.9Å; D808-Q923 PolarHBondContact OD2-NE2 2.89Å; I919-Q923 HydrophobicContact CG2-CG 4Å; I919-Q923 WeakPolarHBondContact O-CB 3.35Å; I919-Q923 VanDerWaalsContact O-CG 3.3Å; I919-Q923 WeakPolarHBondContact O-CG 3.19Å; I919-Q923 PolarHBondContact O-N 3.45Å; V920-Q923 PolarHBondContact O-N 2.8Å; Q923-A925 PolarHBondContact O-N 3.48Å; Q923-D926 PolarHBondContact O-N 3.17Å; Q923-D926 PolarHBondContact OE1-OD2 3.38Å; Q923-L927 WeakPolarHBondContact O-CB 3.42Å; Q923-L927 PolarHBondContact O-N 2.92Å; Q923-E954 WeakPolarHBondContact CB-OE1 3.37Å
924	W	95.8	Very high	95.7	Very high	65 Å²	65	9.8 Å²	9.8	25%	0.246	4%	0.041	C	C	.	.	H	α-helix	trans	-58.8	-47.5	169.7	-60.6	-14.9	0	0	0	112.3	V920 I921 V922 I928 L951 T955 L985	V920-W924 PolarHBondContact O-N 3.23Å; V920-W924 VanDerWaalsContact O-N 3.15Å; V920-W924 PolarHBondContact O-NE1 3.14Å; I921-W924 HydrophobicContact CG1-CH2 3.99Å; I921-W924 HydrophobicContact CG1-CZ2 4.21Å; I921-W924 HydrophobicContact CG1-CZ3 4.18Å; I921-W924 HydrophobicContact CG2-CE3 4.32Å; I921-W924 HydrophobicContact CG2-CZ3 4.34Å; I921-W924 WeakPolarHBondContact O-CB 3.4Å; V922-W924 VanDerWaalsContact C-N 3.27Å; V922-W924 PolarHBondContact O-N 3.1Å; W924-I928 WeakPolarHBondContact O-CD1 3.12Å; W924-I928 VanDerWaalsContact O-CG1 3.24Å; W924-I928 WeakPolarHBondContact O-CG1 3.4Å; W924-I928 PolarHBondContact O-N 3.45Å; W924-L951 HydrophobicContact CB-CD2 4.07Å; W924-L951 HydrophobicContact CG-CD2 4.16Å; W924-T955 VanDerWaalsContact CE2-OG1 3.29Å; W924-T955 HydrophobicContact CH2-CG2 4.4Å; W924-T955 HydrophobicContact CZ2-CG2 3.7Å; W924-T955 WeakPolarHBondContact CZ2-OG1 3.22Å; W924-T955 PolarHBondContact NE1-OG1 3.3Å; W924-T955 VanDerWaalsContact NE1-OG1 3.11Å; W924-L985 HydrophobicContact CZ3-CD2 4.21Å
925	A	96.1	Very high	95.6	Very high	4 Å²	4	11.3 Å²	11.3	3%	0.033	5%	0.049	C	C	.	.	H	α-helix	trans	-67.9	-41.1	176.2	0	0	0	0	0	110.5	V922 Q923 L927 I928 I929 S988 I991 F992	V922-A925 PolarHBondContact O-N 3.13Å; Q923-A925 PolarHBondContact O-N 3.48Å; A925-L927 PolarHBondContact O-N 3.37Å; A925-I928 PolarHBondContact O-N 3.2Å; A925-I929 WeakPolarHBondContact O-CG1 3.33Å; A925-I929 WeakPolarHBondContact O-CG2 3.15Å; A925-I929 PolarHBondContact O-N 3.46Å; A925-S988 WeakPolarHBondContact CB-O 3.42Å; A925-S988 VanDerWaalsContact CB-OG 3.26Å; A925-S988 WeakPolarHBondContact CB-OG 3.39Å; A925-I991 HydrophobicContact CB-CB 4.11Å; A925-I991 HydrophobicContact CB-CG2 3.91Å; A925-F992 HydrophobicContact CB-CB 4.37Å
926	D	96.9	Very high	95.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.3	-45.4	178.9	-162.6	43.9	0	0	0	112.6	Y771 T774 V922 Q923 I928 I929 C930	Y771-D926 WeakPolarHBondContact CA-OD2 3.33Å; Y771-D926 HydrophobicContact CD2-CB 4.19Å; Y771-D926 WeakPolarHBondContact CD2-OD2 3.27Å; Y771-D926 HydrophobicContact CE2-CB 4.41Å; T774-D926 WeakPolarHBondContact CB-OD2 3.23Å; T774-D926 PolarHBondContact OG1-OD2 3.38Å; V922-D926 PolarHBondContact O-N 3.43Å; Q923-D926 PolarHBondContact O-N 3.17Å; Q923-D926 PolarHBondContact OE1-OD2 3.38Å; D926-I928 VanDerWaalsContact C-N 3.32Å; D926-I928 PolarHBondContact O-N 2.81Å; D926-I929 WeakPolarHBondContact O-CG1 3.5Å; D926-I929 PolarHBondContact O-N 3.18Å; D926-C930 VanDerWaalsContact O-CB 3.24Å; D926-C930 WeakPolarHBondContact O-CB 3.42Å; D926-C930 PolarHBondContact O-N 2.89Å; D926-C930 PolarHBondContact O-SG 3.26Å; D926-C930 VanDerWaalsContact O-SG 3.37Å
927	L	96.3	Very high	95.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.7	-41.9	176.5	-175.4	64.5	0	0	0	111.8	Y771 P811 L815 Q923 A925 K931 L947 L951	Y771-L927 HydrophobicContact CD2-CB 4.2Å; Y771-L927 HydrophobicContact CD2-CD1 4.3Å; Y771-L927 HydrophobicContact CE2-CB 3.88Å; Y771-L927 HydrophobicContact CE2-CD1 4.29Å; P811-L927 HydrophobicContact CB-CD1 3.91Å; P811-L927 HydrophobicContact CB-CD2 3.89Å; P811-L927 HydrophobicContact CB-CG 4.46Å; L815-L927 HydrophobicContact CD1-CD1 3.88Å; L815-L927 HydrophobicContact CD2-CD1 4Å; L815-L927 HydrophobicContact CG-CD1 3.79Å; Q923-L927 WeakPolarHBondContact O-CB 3.42Å; Q923-L927 PolarHBondContact O-N 2.92Å; A925-L927 PolarHBondContact O-N 3.37Å; L927-K931 PolarHBondContact O-N 2.79Å; L927-K931 VanDerWaalsContact O-N 3.14Å; L927-L947 HydrophobicContact CD1-CD1 4.34Å; L927-L947 HydrophobicContact CD1-CG 4.37Å; L927-L947 HydrophobicContact CD2-CD2 3.98Å; L927-L947 HydrophobicContact CD2-CG 3.83Å; L927-L947 HydrophobicContact CG-CD1 4.14Å; L927-L947 HydrophobicContact CG-CD2 4.21Å; L927-L947 HydrophobicContact CG-CG 3.94Å; L927-L951 HydrophobicContact CB-CD2 4.39Å; L927-L951 HydrophobicContact CD2-CD2 3.53Å; L927-L951 HydrophobicContact CD2-CG 3.72Å
928	I	95.8	Very high	95.2	Very high	38 Å²	38	19.5 Å²	19.5	20%	0.195	9%	0.093	C	C	.	.	H	α-helix	trans	-68	-37.5	179	-67.1	167.4	0	0	0	111.1	W924 A925 D926 K931 V937 M942 L951 F992	W924-I928 WeakPolarHBondContact O-CD1 3.12Å; W924-I928 VanDerWaalsContact O-CG1 3.24Å; W924-I928 WeakPolarHBondContact O-CG1 3.4Å; W924-I928 PolarHBondContact O-N 3.45Å; A925-I928 PolarHBondContact O-N 3.2Å; D926-I928 VanDerWaalsContact C-N 3.32Å; D926-I928 PolarHBondContact O-N 2.81Å; I928-K931 VanDerWaalsContact O-CB 3.24Å; I928-K931 WeakPolarHBondContact O-CB 3.44Å; I928-V937 HydrophobicContact CG2-CG1 4Å; I928-V937 HydrophobicContact CG2-CG2 3.95Å; I928-M942 HydrophobicContact CG1-CE 4Å; I928-M942 HydrophobicContact CG2-SD 4.43Å; I928-L951 HydrophobicContact CG1-CD1 4.49Å; I928-F992 HydrophobicContact CG2-CD2 3.96Å; I928-F992 HydrophobicContact CG2-CE2 3.74Å
929	I	95.1	Very high	94.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-76.8	-39.8	178.6	63.9	162.1	0	0	0	111.7	I850 A925 D926 K931 T932 I991 F992 D995 K999	I850-I929 HydrophobicContact CD1-CD1 4.04Å; I850-I929 HydrophobicContact CG1-CD1 4.11Å; I850-I929 HydrophobicContact CG2-CD1 4.28Å; A925-I929 WeakPolarHBondContact O-CG1 3.33Å; A925-I929 WeakPolarHBondContact O-CG2 3.15Å; A925-I929 PolarHBondContact O-N 3.46Å; D926-I929 WeakPolarHBondContact O-CG1 3.5Å; D926-I929 PolarHBondContact O-N 3.18Å; I929-K931 PolarHBondContact O-N 3.45Å; I929-T932 PolarHBondContact O-N 3.24Å; I929-I991 HydrophobicContact CD1-CG2 3.61Å; I929-I991 HydrophobicContact CG1-CG2 4.33Å; I929-F992 HydrophobicContact CG2-CD2 4.23Å; I929-D995 HydrophobicContact CB-CB 3.84Å; I929-D995 WeakPolarHBondContact CB-OD2 3.44Å; I929-D995 HydrophobicContact CD1-CB 3.77Å; I929-D995 HydrophobicContact CG1-CB 4.41Å; I929-D995 HydrophobicContact CG2-CB 3.7Å; I929-K999 PolarHBondContact O-NZ 3.49Å
930	C	95.6	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67	-18.3	177.5	-74.4	0	0	0	0	112.5	K767 L815 D926 T932	K767-C930 VanDerWaalsContact CB-O 3.29Å; K767-C930 WeakPolarHBondContact CB-O 3.26Å; K767-C930 VanDerWaalsContact CD-O 3.32Å; K767-C930 WeakPolarHBondContact CD-O 3.28Å; K767-C930 WeakPolarHBondContact CG-O 3.49Å; L815-C930 HydrophobicContact CD1-CB 4.39Å; D926-C930 VanDerWaalsContact O-CB 3.24Å; D926-C930 WeakPolarHBondContact O-CB 3.42Å; D926-C930 PolarHBondContact O-N 2.89Å; D926-C930 PolarHBondContact O-SG 3.26Å; D926-C930 VanDerWaalsContact O-SG 3.37Å; C930-T932 PolarHBondContact O-N 3.39Å
931	K	95.3	Very high	94.4	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.026	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-38.7	169.7	-174.6	173.7	164.7	51.8	0	113	K767 E818 L927 I928 I929 G941 M942 L947	K767-K931 WeakPolarHBondContact CE-O 3.31Å; K767-K931 PolarHBondContact NZ-O 3.11Å; E818-K931 VanDerWaalsContact CD-CG 3.46Å; E818-K931 HydrophobicContact CG-CG 4.32Å; E818-K931 IonicContact OE1-NZ 3.39Å; E818-K931 PolarHBondContact OE1-NZ 3.06Å; E818-K931 WeakPolarHBondContact OE2-CG 3.4Å; E818-K931 IonicContact OE2-NZ 2.7Å; E818-K931 PolarHBondContact OE2-NZ 3.49Å; L927-K931 PolarHBondContact O-N 2.79Å; L927-K931 VanDerWaalsContact O-N 3.14Å; I928-K931 VanDerWaalsContact O-CB 3.24Å; I928-K931 WeakPolarHBondContact O-CB 3.44Å; I929-K931 PolarHBondContact O-N 3.45Å; K931-G941 WeakPolarHBondContact CE-O 3.35Å; K931-G941 PolarHBondContact NZ-O 3.41Å; K931-M942 HydrophobicContact CD-SD 3.8Å; K931-L947 HydrophobicContact CB-CD1 4.36Å; K931-L947 HydrophobicContact CD-CD1 4.14Å; K931-L947 HydrophobicContact CG-CD1 4.28Å
932	T	95.3	Very high	94.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.			trans	-131	129.1	-177.5	61.9	0	0	0	0	112.2	I929 C930 N935 Q940 K999	I929-T932 PolarHBondContact O-N 3.24Å; C930-T932 PolarHBondContact O-N 3.39Å; T932-N935 VanDerWaalsContact CB-O 3.23Å; T932-N935 WeakPolarHBondContact CB-O 3.39Å; T932-N935 HydrophobicContact CG2-CB 4.26Å; T932-N935 PolarHBondContact OG1-O 3.23Å; T932-Q940 HydrophobicContact CG2-CB 3.66Å; T932-Q940 HydrophobicContact CG2-CG 3.87Å; T932-K999 WeakPolarHBondContact O-CD 3.16Å; T932-K999 PolarHBondContact O-NZ 2.97Å; T932-K999 PolarHBondContact OG1-NZ 3.08Å
933	R	93.9	Very high	93.9	Very high	17 Å²	17	40.7 Å²	40.7	6%	0.064	19%	0.187	C	C	.	.	S	Bend	trans	-84.9	-34.9	177	-72.5	165.7	56.6	-148.6	0.6	112.2	D763 K767 E821 Y1015 Y1016	D763-R933 VanDerWaalsContact CG-NH1 3.34Å; D763-R933 IonicContact OD1-CZ 3.14Å; D763-R933 IonicContact OD1-NH1 3.61Å; D763-R933 PolarHBondContact OD1-NH1 3.04Å; K767-R933 HydrophobicContact CG-CG 4.15Å; E821-R933 PolarHBondContact OE1-N 3.18Å; E821-R933 PolarHBondContact OE2-N 3.28Å; E821-R933 VanDerWaalsContact OE2-N 3.12Å; R933-Y1015 HydrophobicContact CB-CE2 3.91Å; R933-Y1016 HydrophobicContact CG-CD2 4.27Å; R933-Y1016 HydrophobicContact CG-CE2 3.67Å; R933-Y1016 PolarHBondContact NE-O 3.31Å; R933-Y1016 VanDerWaalsContact NH2-C 3.32Å; R933-Y1016 PolarHBondContact NH2-O 2.76Å; R933-Y1016 PolarHBondContact NH2-OXT 3.48Å
934	R	93.6	Very high	93.7	Very high	67 Å²	67	41.4 Å²	41.4	25%	0.253	19%	0.191	S	C	.	.	S	Bend	trans	-123.6	-42.6	-177.1	-171	-178.6	-176.3	87.9	2.2	112.8	E821 I1002 R1003 E1011 Y1015	E821-R934 PolarHBondContact OE2-N 3.24Å; R934-I1002 HydrophobicContact CG-CG2 4.35Å; R934-R1003 HydrophobicContact CG-CG 4.26Å; R934-R1003 WeakPolarHBondContact O-CD 3.49Å; R934-R1003 PolarHBondContact O-NH1 3.24Å; R934-E1011 IonicContact CZ-OE1 3.39Å; R934-E1011 IonicContact NH1-OE1 2.58Å; R934-E1011 PolarHBondContact NH1-OE1 2.91Å; R934-Y1015 HydrophobicContact CB-CE2 3.94Å
935	N	94.2	Very high	93.6	Very high	32 Å²	32	46.5 Å²	46.5	17%	0.171	21%	0.214	C	C	.	.	S	Bend	trans	-72.9	155.5	-175.3	-75	-5.2	0	0	0	112.2	E821 T932 Q940 K999	E821-N935 HydrophobicContact CG-CB 4.45Å; E821-N935 PolarHBondContact O-ND2 3.25Å; E821-N935 PolarHBondContact OE2-N 3.04Å; T932-N935 VanDerWaalsContact CB-O 3.23Å; T932-N935 WeakPolarHBondContact CB-O 3.39Å; T932-N935 HydrophobicContact CG2-CB 4.26Å; T932-N935 PolarHBondContact OG1-O 3.23Å; N935-Q940 PolarHBondContact ND2-OE1 2.87Å; N935-K999 WeakPolarHBondContact O-CD 3.18Å
936	S	94.7	Very high	93.5	Very high	8 Å²	8	52.3 Å²	52.3	6%	0.056	24%	0.236	C	C	.	.			trans	-70	148	169.5	-175.6	0	0	0	0	109.9	I938 Q939 Q940 E996	S936-I938 PolarHBondContact O-N 3.32Å; S936-I938 PolarHBondContact OG-N 3.03Å; S936-Q939 VanDerWaalsContact N-OE1 3.13Å; S936-Q939 PolarHBondContact O-N 3.32Å; S936-Q940 PolarHBondContact O-N 2.57Å; S936-E996 VanDerWaalsContact CA-OE1 3.3Å; S936-E996 WeakPolarHBondContact CA-OE1 3.02Å; S936-E996 WeakPolarHBondContact CB-OE1 3.2Å; S936-E996 VanDerWaalsContact OG-CD 3.27Å; S936-E996 PolarHBondContact OG-OE1 3.15Å
937	V	92	Very high	93.4	Very high	14 Å²	14	52.3 Å²	52.3	9%	0.085	24%	0.237	C	C	.	.	H	α-helix	trans	-57.8	-31.5	168.4	-179.6	0	0	0	0	111	I928 G941 M942 F992 E996	I928-V937 HydrophobicContact CG2-CG1 4Å; I928-V937 HydrophobicContact CG2-CG2 3.95Å; V937-G941 WeakPolarHBondContact O-CA 3.46Å; V937-G941 PolarHBondContact O-N 3.44Å; V937-M942 HydrophobicContact CG1-CG 4.2Å; V937-M942 HydrophobicContact CG1-SD 3.96Å; V937-F992 HydrophobicContact CB-CE2 4.47Å; V937-F992 HydrophobicContact CG2-CE2 4.15Å; V937-E996 PolarHBondContact N-OE2 3.01Å
938	I	91.3	Very high	93.3	Very high	151 Å²	151	54.8 Å²	54.8	77%	0.774	25%	0.25	S	C	*	.	H	α-helix	trans	-70.1	-35	177	-55.7	173.2	0	0	0	111.3	S936	S936-I938 PolarHBondContact O-N 3.32Å; S936-I938 PolarHBondContact OG-N 3.03Å
939	Q	90.9	Very high	93.3	Very high	126 Å²	126	58.9 Å²	58.9	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-75.7	-43	179.8	-73.3	172.6	-29.4	0	0	111.8	S936	S936-Q939 VanDerWaalsContact N-OE1 3.13Å; S936-Q939 PolarHBondContact O-N 3.32Å
940	Q	90.1	Very high	93.3	Very high	33 Å²	33	58.8 Å²	58.8	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-77.9	-32.2	-179.9	-160.7	72.2	15.5	0	0	112.2	A820 T932 N935 S936	A820-Q940 PolarHBondContact O-NE2 3.11Å; T932-Q940 HydrophobicContact CG2-CB 3.66Å; T932-Q940 HydrophobicContact CG2-CG 3.87Å; N935-Q940 PolarHBondContact ND2-OE1 2.87Å; S936-Q940 PolarHBondContact O-N 2.57Å
941	G	91.1	Very high	93.2	Very high	14 Å²	14	60 Å²	60	14%	0.144	27%	0.272	C	S	.	.			trans	73.9	163	-175.1	0	0	0	0	0	113.8	K931 V937 W943	K931-G941 WeakPolarHBondContact CE-O 3.35Å; K931-G941 PolarHBondContact NZ-O 3.41Å; V937-G941 WeakPolarHBondContact O-CA 3.46Å; V937-G941 PolarHBondContact O-N 3.44Å; G941-W943 VanDerWaalsContact C-N 3.35Å; G941-W943 PolarHBondContact O-N 3.25Å
942	M	91.3	Very high	93.2	Very high	61 Å²	61	67.2 Å²	67.2	30%	0.3	30%	0.304	S	S	.	.	S	Bend	trans	-96.8	44.3	-179.9	-69.4	-65.6	-70.5	0	0	112.2	I928 K931 V937 L947 N948	I928-M942 HydrophobicContact CG1-CE 4Å; I928-M942 HydrophobicContact CG2-SD 4.43Å; K931-M942 HydrophobicContact CD-SD 3.8Å; V937-M942 HydrophobicContact CG1-CG 4.2Å; V937-M942 HydrophobicContact CG1-SD 3.96Å; M942-L947 HydrophobicContact CE-CD2 3.68Å; M942-N948 PolarHBondContact O-ND2 2.96Å
943	W	89.9	Confident	93.2	Very high	216 Å²	216	70.7 Å²	70.7	82%	0.818	32%	0.319	S	S	*	.			trans	-80.7	-11.4	-175.1	-56.9	116.9	0	0	0	114.7	G941 K945	G941-W943 VanDerWaalsContact C-N 3.35Å; G941-W943 PolarHBondContact O-N 3.25Å; W943-K945 PolarHBondContact O-N 2.82Å
944	N	92	Very high	93.3	Very high	16 Å²	16	69.9 Å²	69.9	9%	0.086	32%	0.316	C	S	.	.			trans	-69.7	99.2	177.6	-176.5	-10.5	0	0	0	110.2	S814 E818 Y946 L947 N948	S814-N944 PolarHBondContact O-ND2 3.16Å; S814-N944 VanDerWaalsContact O-ND2 3.09Å; E818-N944 VanDerWaalsContact OE1-CB 3.27Å; E818-N944 WeakPolarHBondContact OE1-CB 3.22Å; E818-N944 PolarHBondContact OE1-ND2 3.44Å; N944-Y946 PolarHBondContact O-N 3.33Å; N944-Y946 WeakPolarHBondContact OD1-CB 3.34Å; N944-Y946 PolarHBondContact OD1-N 3.11Å; N944-L947 HydrophobicContact CB-CB 3.93Å; N944-L947 PolarHBondContact O-N 3.33Å; N944-L947 PolarHBondContact OD1-N 3.16Å; N944-L947 VanDerWaalsContact OD1-N 3.16Å; N944-N948 PolarHBondContact O-N 2.92Å; N944-N948 VanDerWaalsContact O-N 3.09Å; N944-N948 PolarHBondContact O-ND2 3.31Å
945	K	94.1	Very high	93.3	Very high	171 Å²	171	68.2 Å²	68.2	74%	0.743	31%	0.314	S	S	*	.	H	α-helix	trans	-61.4	-33	-179.2	-62.2	179.4	-176.1	175.1	0	112.5	W943 F949	W943-K945 PolarHBondContact O-N 2.82Å; K945-F949 WeakPolarHBondContact O-CB 3.31Å; K945-F949 PolarHBondContact O-N 3.12Å
946	Y	94.2	Very high	93.4	Very high	126 Å²	126	69.4 Å²	69.4	49%	0.494	33%	0.328	S	S	.	.	H	α-helix	trans	-71.7	-40.2	180	-59.4	-77.2	0	0	0	111.2	Y817 N944 F949 A950	Y817-Y946 AromaticContact CD1-CD2 3.56Å; Y817-Y946 HydrophobicContact CD1-CD2 3.56Å; Y817-Y946 AromaticContact CD1-CE2 3.49Å; Y817-Y946 HydrophobicContact CD1-CE2 3.49Å; Y817-Y946 VanDerWaalsContact CD1-CE2 3.49Å; Y817-Y946 HydrophobicContact CD1-CG 4.42Å; Y817-Y946 AromaticContact CD2-CD2 3.78Å; Y817-Y946 HydrophobicContact CD2-CD2 3.78Å; Y817-Y946 HydrophobicContact CD2-CE2 4.39Å; Y817-Y946 AromaticContact CD2-CG 3.88Å; Y817-Y946 HydrophobicContact CD2-CG 3.88Å; Y817-Y946 AromaticContact CE1-CD2 3.92Å; Y817-Y946 HydrophobicContact CE1-CD2 3.92Å; Y817-Y946 AromaticContact CE1-CE2 3.54Å; Y817-Y946 HydrophobicContact CE1-CE2 3.54Å; Y817-Y946 AromaticContact CE1-CZ 3.9Å; Y817-Y946 HydrophobicContact CE2-CD1 4.29Å; Y817-Y946 HydrophobicContact CE2-CD2 4.11Å; Y817-Y946 HydrophobicContact CE2-CE2 4.41Å; Y817-Y946 HydrophobicContact CE2-CG 4.04Å; Y817-Y946 AromaticContact CG-CD2 3.46Å; Y817-Y946 HydrophobicContact CG-CD2 3.46Å; Y817-Y946 VanDerWaalsContact CG-CD2 3.46Å; Y817-Y946 AromaticContact CG-CE2 3.93Å; Y817-Y946 HydrophobicContact CG-CE2 3.93Å; Y817-Y946 HydrophobicContact CG-CG 4.06Å; N944-Y946 PolarHBondContact O-N 3.33Å; N944-Y946 WeakPolarHBondContact OD1-CB 3.34Å; N944-Y946 PolarHBondContact OD1-N 3.11Å; Y946-F949 PolarHBondContact O-N 3.15Å; Y946-A950 WeakPolarHBondContact O-CB 3.3Å; Y946-A950 PolarHBondContact O-N 2.9Å
947	L	94.9	Very high	93.4	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-45.2	175.1	-174.2	158.1	0	0	0	111.4	S814 L815 L927 K931 M942 N944 F949 A950 L951	S814-L947 WeakPolarHBondContact OG-CA 3.4Å; L815-L947 HydrophobicContact CD2-CD1 4.11Å; L927-L947 HydrophobicContact CD1-CD1 4.34Å; L927-L947 HydrophobicContact CD1-CG 4.37Å; L927-L947 HydrophobicContact CD2-CD2 3.98Å; L927-L947 HydrophobicContact CD2-CG 3.83Å; L927-L947 HydrophobicContact CG-CD1 4.14Å; L927-L947 HydrophobicContact CG-CD2 4.21Å; L927-L947 HydrophobicContact CG-CG 3.94Å; K931-L947 HydrophobicContact CB-CD1 4.36Å; K931-L947 HydrophobicContact CD-CD1 4.14Å; K931-L947 HydrophobicContact CG-CD1 4.28Å; M942-L947 HydrophobicContact CE-CD2 3.68Å; N944-L947 HydrophobicContact CB-CB 3.93Å; N944-L947 PolarHBondContact O-N 3.33Å; N944-L947 PolarHBondContact OD1-N 3.16Å; N944-L947 VanDerWaalsContact OD1-N 3.16Å; L947-F949 VanDerWaalsContact C-N 3.32Å; L947-F949 PolarHBondContact O-N 3.39Å; L947-A950 WeakPolarHBondContact O-CB 3.46Å; L947-A950 PolarHBondContact O-N 3.35Å; L947-A950 VanDerWaalsContact O-N 3.09Å; L947-L951 HydrophobicContact CD2-CD1 4Å; L947-L951 HydrophobicContact CD2-CG 4.42Å; L947-L951 PolarHBondContact O-N 3.32Å
948	N	94.7	Very high	93.5	Very high	51 Å²	51	70.2 Å²	70.2	27%	0.273	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-43.5	176	-67	-26.5	0	0	0	111.3	M942 N944 A950 L951 F952	M942-N948 PolarHBondContact O-ND2 2.96Å; N944-N948 PolarHBondContact O-N 2.92Å; N944-N948 VanDerWaalsContact O-N 3.09Å; N944-N948 PolarHBondContact O-ND2 3.31Å; N948-A950 VanDerWaalsContact C-N 3.32Å; N948-A950 PolarHBondContact O-N 2.95Å; N948-L951 PolarHBondContact O-N 3.13Å; N948-F952 WeakPolarHBondContact O-CD2 3.31Å; N948-F952 PolarHBondContact O-N 3.18Å
949	F	95.6	Very high	93.7	Very high	124 Å²	124	66.8 Å²	66.8	54%	0.544	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-40.4	173.5	173.2	-98.6	0	0	0	112.2	K945 Y946 L947 L951 F952 F953	K945-F949 WeakPolarHBondContact O-CB 3.31Å; K945-F949 PolarHBondContact O-N 3.12Å; Y946-F949 PolarHBondContact O-N 3.15Å; L947-F949 VanDerWaalsContact C-N 3.32Å; L947-F949 PolarHBondContact O-N 3.39Å; F949-L951 PolarHBondContact O-N 3.01Å; F949-F952 PolarHBondContact O-N 3.21Å; F949-F953 HydrophobicContact CE1-CB 4.3Å; F949-F953 HydrophobicContact CZ-CB 4.43Å; F949-F953 HydrophobicContact CZ-CD2 4.47Å; F949-F953 WeakPolarHBondContact O-CB 3.17Å; F949-F953 PolarHBondContact O-N 2.98Å
950	A	95	Very high	93.9	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-45	179	0	0	0	0	0	112	I810 P811 Y946 L947 N948 F952 F953 E954	I810-A950 HydrophobicContact CG2-CB 3.84Å; P811-A950 HydrophobicContact CB-CB 4.4Å; P811-A950 HydrophobicContact CG-CB 4.12Å; Y946-A950 WeakPolarHBondContact O-CB 3.3Å; Y946-A950 PolarHBondContact O-N 2.9Å; L947-A950 WeakPolarHBondContact O-CB 3.46Å; L947-A950 PolarHBondContact O-N 3.35Å; L947-A950 VanDerWaalsContact O-N 3.09Å; N948-A950 VanDerWaalsContact C-N 3.32Å; N948-A950 PolarHBondContact O-N 2.95Å; A950-F952 VanDerWaalsContact C-N 3.33Å; A950-F952 PolarHBondContact O-N 3.29Å; A950-F953 PolarHBondContact O-N 3.45Å; A950-E954 VanDerWaalsContact O-CB 3.22Å; A950-E954 WeakPolarHBondContact O-CB 3.33Å; A950-E954 PolarHBondContact O-N 3.34Å
951	L	94.3	Very high	94	Very high	27 Å²	27	65.5 Å²	65.5	14%	0.141	31%	0.306	C	S	.	.	H	α-helix	trans	-57.4	-43.7	175.6	-72.1	171.2	0	0	0	112.6	W924 L927 I928 L947 N948 F949 T955	W924-L951 HydrophobicContact CB-CD2 4.07Å; W924-L951 HydrophobicContact CG-CD2 4.16Å; L927-L951 HydrophobicContact CB-CD2 4.39Å; L927-L951 HydrophobicContact CD2-CD2 3.53Å; L927-L951 HydrophobicContact CD2-CG 3.72Å; I928-L951 HydrophobicContact CG1-CD1 4.49Å; L947-L951 HydrophobicContact CD2-CD1 4Å; L947-L951 HydrophobicContact CD2-CG 4.42Å; L947-L951 PolarHBondContact O-N 3.32Å; N948-L951 PolarHBondContact O-N 3.13Å; F949-L951 PolarHBondContact O-N 3.01Å; L951-T955 WeakPolarHBondContact O-CB 3.49Å; L951-T955 PolarHBondContact O-N 3.15Å; L951-T955 VanDerWaalsContact O-N 3.17Å; L951-T955 PolarHBondContact O-OG1 2.82Å
952	F	95.2	Very high	94.1	Very high	157 Å²	157	65 Å²	65	69%	0.689	30%	0.3	S	S	*	.	H	α-helix	trans	-66.7	-43.6	176.6	-77	-70.7	0	0	0	111.8	N948 F949 A950 A956	N948-F952 WeakPolarHBondContact O-CD2 3.31Å; N948-F952 PolarHBondContact O-N 3.18Å; F949-F952 PolarHBondContact O-N 3.21Å; A950-F952 VanDerWaalsContact C-N 3.33Å; A950-F952 PolarHBondContact O-N 3.29Å; F952-A956 VanDerWaalsContact O-CB 3.25Å; F952-A956 WeakPolarHBondContact O-CB 3.49Å; F952-A956 PolarHBondContact O-N 2.98Å
953	F	94.7	Very high	94.2	Very high	73 Å²	73	66.6 Å²	66.6	32%	0.32	30%	0.303	S	S	.	.	H	α-helix	trans	-63.9	-47.5	179.4	176.2	-89.8	0	0	0	111.8	I810 F949 A950 T955 A956 L957	I810-F953 HydrophobicContact CB-CD1 4.21Å; I810-F953 HydrophobicContact CD1-CD1 3.51Å; I810-F953 HydrophobicContact CD1-CD2 4.27Å; I810-F953 HydrophobicContact CD1-CE1 3.35Å; I810-F953 HydrophobicContact CD1-CE2 4.14Å; I810-F953 HydrophobicContact CD1-CG 3.97Å; I810-F953 HydrophobicContact CD1-CZ 3.69Å; I810-F953 HydrophobicContact CG1-CD1 4.07Å; I810-F953 HydrophobicContact CG1-CE1 3.93Å; F949-F953 HydrophobicContact CE1-CB 4.3Å; F949-F953 HydrophobicContact CZ-CB 4.43Å; F949-F953 HydrophobicContact CZ-CD2 4.47Å; F949-F953 WeakPolarHBondContact O-CB 3.17Å; F949-F953 PolarHBondContact O-N 2.98Å; A950-F953 PolarHBondContact O-N 3.45Å; F953-T955 VanDerWaalsContact C-N 3.34Å; F953-T955 PolarHBondContact O-N 3.5Å; F953-A956 PolarHBondContact O-N 3.23Å; F953-L957 HydrophobicContact CE1-CB 4.44Å; F953-L957 HydrophobicContact CE1-CD2 3.97Å; F953-L957 HydrophobicContact CZ-CD2 4.37Å; F953-L957 WeakPolarHBondContact O-CB 3.49Å; F953-L957 PolarHBondContact O-N 3.31Å
954	E	95.4	Very high	94.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.4	-49.6	177.9	-172.5	-167.3	177.1	0	0	110.7	T807 P811 V920 Q923 A950 L957 A958	T807-E954 HydrophobicContact CG2-CG 4.47Å; P811-E954 HydrophobicContact CG-CB 4.12Å; P811-E954 HydrophobicContact CG-CG 4.18Å; V920-E954 HydrophobicContact CG1-CG 3.97Å; Q923-E954 WeakPolarHBondContact CB-OE1 3.37Å; A950-E954 VanDerWaalsContact O-CB 3.22Å; A950-E954 WeakPolarHBondContact O-CB 3.33Å; A950-E954 PolarHBondContact O-N 3.34Å; E954-L957 PolarHBondContact O-N 3.36Å; E954-A958 WeakPolarHBondContact O-CB 3.32Å; E954-A958 PolarHBondContact O-N 3.18Å
955	T	94.5	Very high	94.3	Very high	32 Å²	32	63.3 Å²	63.3	20%	0.196	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-45.4	177.3	-54.1	0	0	0	0	111.9	W924 L951 F953 L957 A958 I959	W924-T955 VanDerWaalsContact CE2-OG1 3.29Å; W924-T955 HydrophobicContact CH2-CG2 4.4Å; W924-T955 HydrophobicContact CZ2-CG2 3.7Å; W924-T955 WeakPolarHBondContact CZ2-OG1 3.22Å; W924-T955 PolarHBondContact NE1-OG1 3.3Å; W924-T955 VanDerWaalsContact NE1-OG1 3.11Å; L951-T955 WeakPolarHBondContact O-CB 3.49Å; L951-T955 PolarHBondContact O-N 3.15Å; L951-T955 VanDerWaalsContact O-N 3.17Å; L951-T955 PolarHBondContact O-OG1 2.82Å; F953-T955 VanDerWaalsContact C-N 3.34Å; F953-T955 PolarHBondContact O-N 3.5Å; T955-L957 VanDerWaalsContact C-N 3.31Å; T955-L957 PolarHBondContact O-N 3.47Å; T955-A958 PolarHBondContact O-N 3.41Å; T955-I959 HydrophobicContact CG2-CD1 3.97Å; T955-I959 VanDerWaalsContact O-CG1 3.27Å; T955-I959 WeakPolarHBondContact O-CG1 3.47Å; T955-I959 PolarHBondContact O-N 3.23Å
956	A	95.8	Very high	94	Very high	57 Å²	57	57.1 Å²	57.1	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-38.2	179.1	0	0	0	0	0	111.7	F952 F953 I959 F960	F952-A956 VanDerWaalsContact O-CB 3.25Å; F952-A956 WeakPolarHBondContact O-CB 3.49Å; F952-A956 PolarHBondContact O-N 2.98Å; F953-A956 PolarHBondContact O-N 3.23Å; A956-I959 PolarHBondContact O-N 3.25Å; A956-F960 WeakPolarHBondContact O-CB 3.42Å; A956-F960 PolarHBondContact O-N 3.45Å
957	L	95.1	Very high	93.7	Very high	39 Å²	39	52.9 Å²	52.9	20%	0.204	28%	0.282	C	S	.	.	H	α-helix	trans	-66.4	-44.5	175.5	-177.3	61.2	0	0	0	110.8	T807 F953 E954 T955 I959 F960 L961	T807-L957 HydrophobicContact CG2-CD2 4.21Å; T807-L957 HydrophobicContact CG2-CG 4.47Å; F953-L957 HydrophobicContact CE1-CB 4.44Å; F953-L957 HydrophobicContact CE1-CD2 3.97Å; F953-L957 HydrophobicContact CZ-CD2 4.37Å; F953-L957 WeakPolarHBondContact O-CB 3.49Å; F953-L957 PolarHBondContact O-N 3.31Å; E954-L957 PolarHBondContact O-N 3.36Å; T955-L957 VanDerWaalsContact C-N 3.31Å; T955-L957 PolarHBondContact O-N 3.47Å; L957-I959 VanDerWaalsContact C-N 3.33Å; L957-I959 PolarHBondContact O-N 3.33Å; L957-F960 WeakPolarHBondContact O-CB 3.38Å; L957-F960 PolarHBondContact O-N 3.38Å; L957-L961 HydrophobicContact CD1-CD1 4.4Å; L957-L961 HydrophobicContact CD1-CG 4.22Å; L957-L961 HydrophobicContact CG-CD1 4.14Å; L957-L961 HydrophobicContact CG-CG 4.37Å; L957-L961 WeakPolarHBondContact O-CB 3.29Å; L957-L961 VanDerWaalsContact O-CG 3.29Å; L957-L961 WeakPolarHBondContact O-CG 3.43Å; L957-L961 PolarHBondContact O-N 2.7Å
958	A	94	Very high	93.3	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-41.2	176.7	0	0	0	0	0	112.4	F916 V920 E954 T955 L961 S962 W981	F916-A958 HydrophobicContact CE1-CB 3.88Å; F916-A958 HydrophobicContact CZ-CB 4.19Å; V920-A958 HydrophobicContact CB-CB 4.41Å; V920-A958 HydrophobicContact CG1-CB 4.09Å; V920-A958 HydrophobicContact CG2-CB 3.99Å; E954-A958 WeakPolarHBondContact O-CB 3.32Å; E954-A958 PolarHBondContact O-N 3.18Å; T955-A958 PolarHBondContact O-N 3.41Å; A958-L961 PolarHBondContact O-N 2.63Å; A958-S962 WeakPolarHBondContact O-CB 3.35Å; A958-S962 PolarHBondContact O-N 3.02Å; A958-S962 PolarHBondContact O-OG 3.45Å; A958-W981 HydrophobicContact CB-CH2 4.04Å
959	I	94.5	Very high	92.7	Very high	78 Å²	78	62.1 Å²	62.1	40%	0.4	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-47.2	173	-68.8	169.2	0	0	0	110	T955 A956 L957 L961 S962 Y963 W981	T955-I959 HydrophobicContact CG2-CD1 3.97Å; T955-I959 VanDerWaalsContact O-CG1 3.27Å; T955-I959 WeakPolarHBondContact O-CG1 3.47Å; T955-I959 PolarHBondContact O-N 3.23Å; A956-I959 PolarHBondContact O-N 3.25Å; L957-I959 VanDerWaalsContact C-N 3.33Å; L957-I959 PolarHBondContact O-N 3.33Å; I959-L961 PolarHBondContact O-N 2.73Å; I959-S962 PolarHBondContact O-N 3.2Å; I959-Y963 HydrophobicContact CB-CD2 4.43Å; I959-Y963 HydrophobicContact CG2-CD2 3.78Å; I959-Y963 HydrophobicContact CG2-CE2 4.31Å; I959-Y963 WeakPolarHBondContact O-CB 3.25Å; I959-Y963 WeakPolarHBondContact O-CD2 3.46Å; I959-Y963 PolarHBondContact O-N 2.91Å; I959-W981 HydrophobicContact CG1-CH2 3.95Å; I959-W981 HydrophobicContact CG1-CZ2 4.19Å
960	F	94.8	Very high	91.9	Very high	115 Å²	115	58.9 Å²	58.9	50%	0.504	32%	0.324	S	S	.	.	H	α-helix	trans	-58.9	-46.7	177.8	178.5	-98.2	0	0	0	111.6	A956 L957 S962 Y963 C964 L967	A956-F960 WeakPolarHBondContact O-CB 3.42Å; A956-F960 PolarHBondContact O-N 3.45Å; L957-F960 WeakPolarHBondContact O-CB 3.38Å; L957-F960 PolarHBondContact O-N 3.38Å; F960-S962 VanDerWaalsContact C-N 3.3Å; F960-S962 PolarHBondContact O-N 3.1Å; F960-Y963 PolarHBondContact O-N 2.67Å; F960-C964 HydrophobicContact CD2-CB 4.16Å; F960-C964 HydrophobicContact CE1-CB 4.38Å; F960-C964 HydrophobicContact CE2-CB 3.96Å; F960-C964 HydrophobicContact CG-CB 4.47Å; F960-C964 HydrophobicContact CZ-CB 4.07Å; F960-C964 WeakPolarHBondContact O-CB 3.47Å; F960-C964 PolarHBondContact O-N 2.64Å; F960-L967 HydrophobicContact CE1-CD1 4.33Å
961	L	93.4	Very high	91.4	Very high	18 Å²	18	61.1 Å²	61.1	9%	0.094	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-35.3	178.7	-69.5	177.8	0	0	0	112.6	C802 F916 L957 A958 I959 L967 L971 M973	C802-L961 HydrophobicContact CB-CD1 4.24Å; F916-L961 HydrophobicContact CE1-CD1 4.43Å; F916-L961 HydrophobicContact CZ-CD1 3.86Å; L957-L961 HydrophobicContact CD1-CD1 4.4Å; L957-L961 HydrophobicContact CD1-CG 4.22Å; L957-L961 HydrophobicContact CG-CD1 4.14Å; L957-L961 HydrophobicContact CG-CG 4.37Å; L957-L961 WeakPolarHBondContact O-CB 3.29Å; L957-L961 VanDerWaalsContact O-CG 3.29Å; L957-L961 WeakPolarHBondContact O-CG 3.43Å; L957-L961 PolarHBondContact O-N 2.7Å; A958-L961 PolarHBondContact O-N 2.63Å; I959-L961 PolarHBondContact O-N 2.73Å; L961-L967 HydrophobicContact CD2-CD1 3.91Å; L961-L971 HydrophobicContact CD2-CD1 3.77Å; L961-M973 WeakPolarHBondContact O-CB 3.45Å
962	S	92.5	Very high	90.9	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.014	35%	0.347	C	S	.	.	H	α-helix	trans	-79.2	-33.9	-179.1	-56.7	0	0	0	0	113.4	A958 I959 F960 M974 P975	A958-S962 WeakPolarHBondContact O-CB 3.35Å; A958-S962 PolarHBondContact O-N 3.02Å; A958-S962 PolarHBondContact O-OG 3.45Å; I959-S962 PolarHBondContact O-N 3.2Å; F960-S962 VanDerWaalsContact C-N 3.3Å; F960-S962 PolarHBondContact O-N 3.1Å; S962-M974 CarbonylContact O-C 3.58Å; S962-P975 VanDerWaalsContact O-CA 3.24Å; S962-P975 WeakPolarHBondContact O-CA 3.01Å
963	Y	93.8	Very high	90.6	Very high	95 Å²	95	57.2 Å²	57.2	37%	0.373	32%	0.315	S	S	.	.	H	α-helix	trans	-114	-9.6	-168.9	-63.7	-72.7	0	0	0	114.9	I959 F960 P965 P975 L976 W981	I959-Y963 HydrophobicContact CB-CD2 4.43Å; I959-Y963 HydrophobicContact CG2-CD2 3.78Å; I959-Y963 HydrophobicContact CG2-CE2 4.31Å; I959-Y963 WeakPolarHBondContact O-CB 3.25Å; I959-Y963 WeakPolarHBondContact O-CD2 3.46Å; I959-Y963 PolarHBondContact O-N 2.91Å; F960-Y963 PolarHBondContact O-N 2.67Å; Y963-P965 WeakPolarHBondContact O-CD 3.27Å; Y963-P975 HydrophobicContact CD1-CB 3.81Å; Y963-P975 HydrophobicContact CE1-CB 4.05Å; Y963-L976 VanDerWaalsContact CE1-O 3.26Å; Y963-L976 WeakPolarHBondContact CE1-O 3.4Å; Y963-L976 PolarHBondContact OH-O 2.82Å; Y963-W981 HydrophobicContact CE2-CZ2 4.13Å; Y963-W981 AromaticContact CZ-NE1 4Å; Y963-W981 PolarHBondContact OH-NE1 3.14Å; Y963-W981 VanDerWaalsContact OH-NE1 3.08Å
964	C	93.6	Very high	90.5	Very high	40 Å²	40	54.7 Å²	54.7	27%	0.27	30%	0.304	S	S	.	.	S	Bend	trans	-69.8	122.8	179.5	-172.7	0	0	0	0	111.2	F960 G966 L967	F960-C964 HydrophobicContact CD2-CB 4.16Å; F960-C964 HydrophobicContact CE1-CB 4.38Å; F960-C964 HydrophobicContact CE2-CB 3.96Å; F960-C964 HydrophobicContact CG-CB 4.47Å; F960-C964 HydrophobicContact CZ-CB 4.07Å; F960-C964 WeakPolarHBondContact O-CB 3.47Å; F960-C964 PolarHBondContact O-N 2.64Å; C964-G966 PolarHBondContact O-N 2.85Å; C964-L967 HydrophobicContact CB-CD1 3.65Å; C964-L967 HydrophobicContact CB-CG 3.99Å; C964-L967 PolarHBondContact O-N 3.44Å
965	P	89.6	Confident	90.4	Very high	124 Å²	124	58.2 Å²	58.2	81%	0.805	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	130.2	178.9	-23.9	34	0	0	0	112.4	Y963	Y963-P965 WeakPolarHBondContact O-CD 3.27Å
966	G	87.9	Confident	90.3	Very high	41 Å²	41	57.1 Å²	57.1	42%	0.423	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.6	-20.4	179.2	0	0	0	0	0	114.3	C964 D968 K969 G970	C964-G966 PolarHBondContact O-N 2.85Å; G966-D968 VanDerWaalsContact C-OD1 3.26Å; G966-D968 WeakPolarHBondContact CA-OD1 3.48Å; G966-D968 PolarHBondContact N-OD1 2.97Å; G966-D968 VanDerWaalsContact N-OD1 3.14Å; G966-D968 PolarHBondContact O-N 3.44Å; G966-K969 PolarHBondContact O-N 2.98Å; G966-K969 VanDerWaalsContact O-N 3.15Å; G966-G970 PolarHBondContact O-N 3.03Å
967	L	88.7	Confident	90.1	Very high	36 Å²	36	61.2 Å²	61.2	19%	0.188	32%	0.324	C	S	.	.	H	α-helix	trans	-70.6	-17.9	174	-64.2	-173.1	0	0	0	112.9	F960 L961 C964 K969 G970 L971 R972 M973	F960-L967 HydrophobicContact CE1-CD1 4.33Å; L961-L967 HydrophobicContact CD2-CD1 3.91Å; C964-L967 HydrophobicContact CB-CD1 3.65Å; C964-L967 HydrophobicContact CB-CG 3.99Å; C964-L967 PolarHBondContact O-N 3.44Å; L967-K969 PolarHBondContact O-N 2.9Å; L967-G970 PolarHBondContact O-N 3.39Å; L967-L971 HydrophobicContact CD1-CD1 4.49Å; L967-L971 HydrophobicContact CD2-CD1 4.06Å; L967-L971 HydrophobicContact CD2-CG 4.4Å; L967-L971 CarbonylContact O-C 3.56Å; L967-L971 WeakPolarHBondContact O-CA 3.47Å; L967-L971 PolarHBondContact O-N 2.78Å; L967-R972 PolarHBondContact O-N 3.02Å; L967-M973 PolarHBondContact O-N 2.81Å
968	D	85.8	Confident	89.8	Confident	68 Å²	68	68 Å²	68	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-28.2	169.3	65.2	-51.9	0	0	0	112.6	G966 R972 M973 M974	G966-D968 VanDerWaalsContact C-OD1 3.26Å; G966-D968 WeakPolarHBondContact CA-OD1 3.48Å; G966-D968 PolarHBondContact N-OD1 2.97Å; G966-D968 VanDerWaalsContact N-OD1 3.14Å; G966-D968 PolarHBondContact O-N 3.44Å; D968-R972 WeakPolarHBondContact O-CA 3.43Å; D968-M973 WeakPolarHBondContact CA-O 3.36Å; D968-M973 WeakPolarHBondContact CB-O 2.92Å; D968-M973 PolarHBondContact N-O 2.95Å; D968-M974 HydrophobicContact CB-SD 3.98Å
969	K	81.9	Confident	89.8	Confident	179 Å²	179	70.3 Å²	70.3	78%	0.778	36%	0.362	S	S	*	.	H	α-helix	trans	-93.4	-41.1	175.6	-65.2	-179.3	-176.9	174.9	0	112.8	G966 L967	G966-K969 PolarHBondContact O-N 2.98Å; G966-K969 VanDerWaalsContact O-N 3.15Å; L967-K969 PolarHBondContact O-N 2.9Å
970	G	79	Confident	89.8	Confident	56 Å²	56	67.3 Å²	67.3	58%	0.577	35%	0.345	S	S	*	.	H	α-helix	trans	-76.4	-53.5	-175.7	0	0	0	0	0	113.2	G966 L967	G966-G970 PolarHBondContact O-N 3.03Å; L967-G970 PolarHBondContact O-N 3.39Å
971	L	84	Confident	89.7	Confident	47 Å²	47	63.5 Å²	63.5	25%	0.246	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-2.6	-175.7	-62.4	177.1	0	0	0	113.4	I798 L961 L967 M973	I798-L971 HydrophobicContact CG2-CB 4.25Å; I798-L971 HydrophobicContact CG2-CD2 3.72Å; L961-L971 HydrophobicContact CD2-CD1 3.77Å; L967-L971 HydrophobicContact CD1-CD1 4.49Å; L967-L971 HydrophobicContact CD2-CD1 4.06Å; L967-L971 HydrophobicContact CD2-CG 4.4Å; L967-L971 CarbonylContact O-C 3.56Å; L967-L971 WeakPolarHBondContact O-CA 3.47Å; L967-L971 PolarHBondContact O-N 2.78Å; L971-M973 HydrophobicContact CB-CG 3.97Å; L971-M973 PolarHBondContact O-N 3.24Å
972	R	84.3	Confident	89.7	Confident	99 Å²	99	67.3 Å²	67.3	37%	0.374	35%	0.348	S	S	.	.			trans	59.9	28.1	-172.9	-57.8	-177.9	173.4	170.8	-0.1	113.7	D122 L967 D968	D122-R972 IonicContact OD1-CZ 2.74Å; D122-R972 IonicContact OD1-NH1 2.68Å; D122-R972 IonicContact OD1-NH2 3.42Å; D122-R972 PolarHBondContact OD1-NH2 3.45Å; D122-R972 IonicContact OD2-CZ 3.8Å; D122-R972 IonicContact OD2-NH1 3.92Å; D122-R972 PolarHBondContact OD2-NH1 3.44Å; D122-R972 IonicContact OD2-NH2 3.58Å; D122-R972 PolarHBondContact OD2-NH2 3.49Å; L967-R972 PolarHBondContact O-N 3.02Å; D968-R972 WeakPolarHBondContact O-CA 3.43Å
973	M	89.6	Confident	89.8	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	35%	0.353	C	S	.	.			trans	-88.2	123.7	177.4	-67	-65	-161.8	0	0	110.8	T799 C802 T913 F916 L961 L967 D968 L971	T799-M973 HydrophobicContact CG2-CE 3.41Å; T799-M973 VanDerWaalsContact CG2-CE 3.41Å; T799-M973 HydrophobicContact CG2-SD 3.74Å; C802-M973 HydrophobicContact CB-CE 4.25Å; T913-M973 HydrophobicContact CG2-CB 4.28Å; T913-M973 HydrophobicContact CG2-SD 3.75Å; T913-M973 VanDerWaalsContact OG1-CA 3.31Å; T913-M973 WeakPolarHBondContact OG1-CA 3.32Å; T913-M973 PolarHBondContact OG1-SD 3.17Å; F916-M973 HydrophobicContact CB-CE 4.28Å; F916-M973 HydrophobicContact CD1-CE 3.95Å; F916-M973 HydrophobicContact CD1-SD 4.5Å; F916-M973 HydrophobicContact CD2-CE 4.04Å; F916-M973 HydrophobicContact CE1-CE 4.32Å; F916-M973 HydrophobicContact CE2-CE 4.42Å; F916-M973 HydrophobicContact CG-CE 3.81Å; L961-M973 WeakPolarHBondContact O-CB 3.45Å; L967-M973 PolarHBondContact O-N 2.81Å; D968-M973 WeakPolarHBondContact CA-O 3.36Å; D968-M973 WeakPolarHBondContact CB-O 2.92Å; D968-M973 PolarHBondContact N-O 2.95Å; L971-M973 HydrophobicContact CB-CG 3.97Å; L971-M973 PolarHBondContact O-N 3.24Å
974	M	91.9	Very high	89.8	Confident	20 Å²	20	63.7 Å²	63.7	10%	0.099	34%	0.336	C	S	.	.			trans	-104.3	146	-176.8	-63.8	-65.1	-61.9	0	0	111.3	R906 T910 T913 S962 D968 L976	R906-M974 HydrophobicContact CG-CE 3.52Å; R906-M974 HydrophobicContact CG-SD 4.39Å; T910-M974 HydrophobicContact CG2-CB 4.48Å; T910-M974 WeakPolarHBondContact OG1-CB 3.18Å; T913-M974 WeakPolarHBondContact CG2-O 3.36Å; T913-M974 PolarHBondContact OG1-N 3.03Å; S962-M974 CarbonylContact O-C 3.58Å; D968-M974 HydrophobicContact CB-SD 3.98Å; M974-L976 PolarHBondContact O-N 2.86Å
975	P	93.1	Very high	89.9	Confident	74 Å²	74	64.7 Å²	64.7	48%	0.481	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-63.3	127.5	175.6	26.2	-34.7	0	0	0	111.1	S962 Y963	S962-P975 VanDerWaalsContact O-CA 3.24Å; S962-P975 WeakPolarHBondContact O-CA 3.01Å; Y963-P975 HydrophobicContact CD1-CB 3.81Å; Y963-P975 HydrophobicContact CE1-CB 4.05Å
976	L	92.5	Very high	90.2	Very high	9 Å²	9	62.6 Å²	62.6	5%	0.047	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-89.3	147.9	-179	-60.2	179.5	0	0	0	111.7	T910 T913 A914 A917 Y963 M974 W980 W981	T910-L976 HydrophobicContact CG2-CD2 4.2Å; T913-L976 HydrophobicContact CG2-CD1 4.12Å; T913-L976 HydrophobicContact CG2-CD2 4.13Å; T913-L976 HydrophobicContact CG2-CG 4Å; A914-L976 HydrophobicContact CB-CD1 4.33Å; A914-L976 HydrophobicContact CB-CD2 3.78Å; A917-L976 HydrophobicContact CB-CD1 3.69Å; Y963-L976 VanDerWaalsContact CE1-O 3.26Å; Y963-L976 WeakPolarHBondContact CE1-O 3.4Å; Y963-L976 PolarHBondContact OH-O 2.82Å; M974-L976 PolarHBondContact O-N 2.86Å; L976-W980 HydrophobicContact CB-CE3 4.22Å; L976-W980 HydrophobicContact CD2-CE3 3.93Å; L976-W980 HydrophobicContact CD2-CZ3 4.41Å; L976-W981 HydrophobicContact CD1-CZ2 4.26Å
977	R	91.8	Very high	90.6	Very high	144 Å²	144	62.6 Å²	62.6	54%	0.543	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-68.4	143.5	164.4	-63.5	-176.8	177.6	178	-0.5	109.1	T979 W980	R977-T979 PolarHBondContact O-N 3.42Å; R977-T979 VanDerWaalsContact O-N 3.11Å; R977-W980 HydrophobicContact CB-CD2 3.8Å; R977-W980 HydrophobicContact CB-CE3 3.98Å; R977-W980 HydrophobicContact CB-CG 4.16Å; R977-W980 HydrophobicContact CB-CZ2 4.47Å; R977-W980 HydrophobicContact CB-CZ3 4.37Å; R977-W980 HydrophobicContact CG-CD2 4.19Å; R977-W980 HydrophobicContact CG-CE3 4.15Å; R977-W980 HydrophobicContact CG-CH2 3.99Å; R977-W980 HydrophobicContact CG-CZ2 4.02Å; R977-W980 HydrophobicContact CG-CZ3 4.03Å; R977-W980 VanDerWaalsContact N-CE3 3.31Å; R977-W980 WeakPolarHBondContact O-CB 3.27Å; R977-W980 PolarHBondContact O-N 3.49Å
978	Y	89.9	Confident	91	Very high	181 Å²	181	61.4 Å²	61.4	71%	0.71	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-56.5	-31.5	178.6	76.5	-90.2	0	0	0	112.3	W980 W981	Y978-W980 PolarHBondContact O-N 2.97Å; Y978-W981 PolarHBondContact O-N 2.9Å
979	T	92.9	Very high	91.5	Very high	48 Å²	48	63.5 Å²	63.5	29%	0.294	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-64.1	-23.2	177.5	51.8	0	0	0	0	113.3	R977 P983	R977-T979 PolarHBondContact O-N 3.42Å; R977-T979 VanDerWaalsContact O-N 3.11Å; T979-P983 VanDerWaalsContact O-CD 3.27Å; T979-P983 WeakPolarHBondContact O-CD 3.41Å
980	W	93.7	Very high	92.2	Very high	16 Å²	16	59.3 Å²	59.3	6%	0.061	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-85.1	-8.9	-178	-60.8	-22	0	0	0	113.9	I865 E868 T910 L976 R977 Y978 P983	I865-W980 HydrophobicContact CD1-CB 4.14Å; I865-W980 HydrophobicContact CD1-CD2 3.85Å; I865-W980 HydrophobicContact CD1-CE3 4.09Å; I865-W980 HydrophobicContact CD1-CG 3.9Å; I865-W980 HydrophobicContact CG1-CD2 3.84Å; I865-W980 HydrophobicContact CG1-CE3 4.46Å; I865-W980 HydrophobicContact CG1-CG 3.86Å; I865-W980 HydrophobicContact CG1-CZ2 4.46Å; I865-W980 HydrophobicContact CG2-CH2 4.35Å; I865-W980 HydrophobicContact CG2-CZ2 4.2Å; E868-W980 PolarHBondContact OE2-NE1 2.8Å; T910-W980 HydrophobicContact CG2-CE3 4.14Å; T910-W980 HydrophobicContact CG2-CH2 3.89Å; T910-W980 HydrophobicContact CG2-CZ3 3.3Å; L976-W980 HydrophobicContact CB-CE3 4.22Å; L976-W980 HydrophobicContact CD2-CE3 3.93Å; L976-W980 HydrophobicContact CD2-CZ3 4.41Å; R977-W980 HydrophobicContact CB-CD2 3.8Å; R977-W980 HydrophobicContact CB-CE3 3.98Å; R977-W980 HydrophobicContact CB-CG 4.16Å; R977-W980 HydrophobicContact CB-CZ2 4.47Å; R977-W980 HydrophobicContact CB-CZ3 4.37Å; R977-W980 HydrophobicContact CG-CD2 4.19Å; R977-W980 HydrophobicContact CG-CE3 4.15Å; R977-W980 HydrophobicContact CG-CH2 3.99Å; R977-W980 HydrophobicContact CG-CZ2 4.02Å; R977-W980 HydrophobicContact CG-CZ3 4.03Å; R977-W980 VanDerWaalsContact N-CE3 3.31Å; R977-W980 WeakPolarHBondContact O-CB 3.27Å; R977-W980 PolarHBondContact O-N 3.49Å; Y978-W980 PolarHBondContact O-N 2.97Å; W980-P983 VanDerWaalsContact C-CD 3.49Å; W980-P983 WeakPolarHBondContact O-CD 3.38Å
981	W	93.2	Very high	93	Very high	34 Å²	34	56.6 Å²	56.6	13%	0.129	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-31.2	169.9	-71.3	79.2	0	0	0	111.6	A917 I921 A958 I959 Y963 L976 Y978 P983	A917-W981 HydrophobicContact CB-CD2 4.38Å; A917-W981 HydrophobicContact CB-CE3 4.2Å; A917-W981 HydrophobicContact CB-CH2 3.91Å; A917-W981 HydrophobicContact CB-CZ2 4.12Å; A917-W981 HydrophobicContact CB-CZ3 3.96Å; I921-W981 HydrophobicContact CD1-CB 4.35Å; I921-W981 HydrophobicContact CD1-CE3 3.97Å; I921-W981 WeakPolarHBondContact CD1-O 3.48Å; I921-W981 HydrophobicContact CG1-CE3 4.38Å; A958-W981 HydrophobicContact CB-CH2 4.04Å; I959-W981 HydrophobicContact CG1-CH2 3.95Å; I959-W981 HydrophobicContact CG1-CZ2 4.19Å; Y963-W981 HydrophobicContact CE2-CZ2 4.13Å; Y963-W981 AromaticContact CZ-NE1 4Å; Y963-W981 PolarHBondContact OH-NE1 3.14Å; Y963-W981 VanDerWaalsContact OH-NE1 3.08Å; L976-W981 HydrophobicContact CD1-CZ2 4.26Å; Y978-W981 PolarHBondContact O-N 2.9Å; W981-P983 VanDerWaalsContact C-CD 3.46Å
982	L	94.4	Very high	93.6	Very high	98 Å²	98	58 Å²	58	51%	0.513	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-69.8	-33.9	-174.6	-57.7	177.6	0	0	0	116.6	A984 L985	L982-A984 PolarHBondContact O-N 3.28Å; L982-A984 VanDerWaalsContact O-N 3.14Å; L982-L985 HydrophobicContact CB-CD1 4.46Å; L982-L985 HydrophobicContact CD2-CD1 3.65Å; L982-L985 WeakPolarHBondContact O-CB 3.19Å; L982-L985 PolarHBondContact O-N 3.04Å; L982-L985 VanDerWaalsContact O-N 3.08Å
983	P	93.7	Very high	94.2	Very high	21 Å²	21	56.9 Å²	56.9	14%	0.136	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-68.8	-16.9	-169.2	-16.7	29.9	0	0	0	114.3	F860 V861 T979 W980 W981 P986	F860-P983 HydrophobicContact CD1-CB 3.93Å; F860-P983 HydrophobicContact CE1-CB 3.78Å; V861-P983 HydrophobicContact CG2-CB 3.97Å; T979-P983 VanDerWaalsContact O-CD 3.27Å; T979-P983 WeakPolarHBondContact O-CD 3.41Å; W980-P983 VanDerWaalsContact C-CD 3.49Å; W980-P983 WeakPolarHBondContact O-CD 3.38Å; W981-P983 VanDerWaalsContact C-CD 3.46Å; P983-P986 WeakPolarHBondContact O-CD 3.47Å
984	A	94	Very high	94.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.008	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-82	-21.8	174.9	0	0	0	0	0	113.4	V861 I921 L982 P986 F987 S988	V861-A984 HydrophobicContact CG2-CB 4.04Å; I921-A984 HydrophobicContact CB-CB 4.13Å; I921-A984 HydrophobicContact CD1-CB 4.16Å; I921-A984 HydrophobicContact CG2-CB 3.99Å; L982-A984 PolarHBondContact O-N 3.28Å; L982-A984 VanDerWaalsContact O-N 3.14Å; A984-P986 VanDerWaalsContact C-CD 3.47Å; A984-F987 WeakPolarHBondContact O-CB 3.46Å; A984-F987 PolarHBondContact O-N 3.44Å; A984-F987 VanDerWaalsContact O-N 3.09Å; A984-S988 PolarHBondContact O-N 2.85Å
985	L	95.1	Very high	94.7	Very high	61 Å²	61	60.2 Å²	60.2	32%	0.319	30%	0.296	S	S	.	.	H	α-helix	trans	-57.2	-40.5	-176.4	-70	169.7	0	0	0	114.4	I921 W924 L982 F987 S988 I989	I921-L985 HydrophobicContact CG2-CD2 3.66Å; I921-L985 HydrophobicContact CG2-CG 4.18Å; W924-L985 HydrophobicContact CZ3-CD2 4.21Å; L982-L985 HydrophobicContact CB-CD1 4.46Å; L982-L985 HydrophobicContact CD2-CD1 3.65Å; L982-L985 WeakPolarHBondContact O-CB 3.19Å; L982-L985 PolarHBondContact O-N 3.04Å; L982-L985 VanDerWaalsContact O-N 3.08Å; L985-F987 PolarHBondContact O-N 2.82Å; L985-S988 WeakPolarHBondContact O-CB 3.31Å; L985-S988 PolarHBondContact O-N 2.98Å; L985-I989 WeakPolarHBondContact O-CG1 3.17Å; L985-I989 PolarHBondContact O-N 3.41Å
986	P	96.5	Very high	94.8	Very high	79 Å²	79	58.1 Å²	58.1	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-34.6	176.8	-24.9	35.6	0	0	0	113.2	P983 A984 L990	P983-P986 WeakPolarHBondContact O-CD 3.47Å; A984-P986 VanDerWaalsContact C-CD 3.47Å; P986-L990 WeakPolarHBondContact O-CB 3.16Å; P986-L990 PolarHBondContact O-N 3.43Å
987	F	96.9	Very high	95	Very high	41 Å²	41	61.1 Å²	61.1	18%	0.18	30%	0.299	C	S	.	.	H	α-helix	trans	-72.2	-38.7	177	-64.9	-92.1	0	0	0	111.4	I853 L856 F860 V922 A984 L985 L990 I991	I853-F987 HydrophobicContact CG2-CB 4.36Å; I853-F987 HydrophobicContact CG2-CD1 4.17Å; L856-F987 HydrophobicContact CB-CD1 4.3Å; L856-F987 HydrophobicContact CB-CE1 3.84Å; F860-F987 HydrophobicContact CB-CE2 3.78Å; F860-F987 HydrophobicContact CB-CZ 3.86Å; F860-F987 AromaticContact CD1-CE2 3.7Å; F860-F987 HydrophobicContact CD1-CE2 3.7Å; F860-F987 HydrophobicContact CD1-CZ 4.41Å; F860-F987 HydrophobicContact CE1-CE2 4.45Å; F860-F987 AromaticContact CG-CE2 3.8Å; F860-F987 HydrophobicContact CG-CE2 3.8Å; F860-F987 HydrophobicContact CG-CZ 4.07Å; V922-F987 HydrophobicContact CG1-CB 4.15Å; A984-F987 WeakPolarHBondContact O-CB 3.46Å; A984-F987 PolarHBondContact O-N 3.44Å; A984-F987 VanDerWaalsContact O-N 3.09Å; L985-F987 PolarHBondContact O-N 2.82Å; F987-L990 WeakPolarHBondContact O-CB 3.38Å; F987-L990 PolarHBondContact O-N 3.27Å; F987-I991 WeakPolarHBondContact O-CG1 3.44Å; F987-I991 PolarHBondContact O-N 2.85Å
988	S	95.9	Very high	95.1	Very high	12 Å²	12	54.7 Å²	54.7	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-45.1	172.8	-170.4	0	0	0	0	111.6	I921 A925 A984 L985 L990 I991 F992	I921-S988 WeakPolarHBondContact O-CB 3.31Å; I921-S988 PolarHBondContact O-OG 2.99Å; A925-S988 WeakPolarHBondContact CB-O 3.42Å; A925-S988 VanDerWaalsContact CB-OG 3.26Å; A925-S988 WeakPolarHBondContact CB-OG 3.39Å; A984-S988 PolarHBondContact O-N 2.85Å; L985-S988 WeakPolarHBondContact O-CB 3.31Å; L985-S988 PolarHBondContact O-N 2.98Å; S988-L990 VanDerWaalsContact C-N 3.34Å; S988-L990 PolarHBondContact O-N 2.78Å; S988-I991 PolarHBondContact O-N 3.46Å; S988-F992 PolarHBondContact O-N 3.29Å; S988-F992 VanDerWaalsContact O-N 3.13Å
989	I	96.4	Very high	95.3	Very high	111 Å²	111	46.1 Å²	46.1	57%	0.569	24%	0.241	S	C	*	.	H	α-helix	trans	-63.1	-41.3	174.2	-64.8	168.3	0	0	0	111.2	L985 F992 V993	L985-I989 WeakPolarHBondContact O-CG1 3.17Å; L985-I989 PolarHBondContact O-N 3.41Å; I989-F992 PolarHBondContact O-N 2.91Å; I989-V993 HydrophobicContact CG2-CG2 4.21Å; I989-V993 WeakPolarHBondContact O-CG2 3.48Å; I989-V993 PolarHBondContact O-N 3.34Å
990	L	96.9	Very high	95.4	Very high	91 Å²	91	49.1 Å²	49.1	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-61	-44.6	178	179.3	63	0	0	0	111.8	I853 P986 F987 S988 F992 V993 Y994	I853-L990 HydrophobicContact CG2-CD2 4.06Å; I853-L990 HydrophobicContact CG2-CG 4.49Å; P986-L990 WeakPolarHBondContact O-CB 3.16Å; P986-L990 PolarHBondContact O-N 3.43Å; F987-L990 WeakPolarHBondContact O-CB 3.38Å; F987-L990 PolarHBondContact O-N 3.27Å; S988-L990 VanDerWaalsContact C-N 3.34Å; S988-L990 PolarHBondContact O-N 2.78Å; L990-F992 PolarHBondContact O-N 3.42Å; L990-V993 PolarHBondContact O-N 3.37Å; L990-Y994 WeakPolarHBondContact O-CB 3.24Å; L990-Y994 PolarHBondContact O-N 3.38Å
991	I	96.7	Very high	95.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.6	-50.2	175.3	-72.6	168.4	0	0	0	110.3	I850 I853 Q854 V922 A925 I929 F987 S988 Y994 D995	I850-I991 HydrophobicContact CD1-CG2 4.39Å; I850-I991 HydrophobicContact CG2-CD1 4.11Å; I850-I991 HydrophobicContact CG2-CG1 4.16Å; I850-I991 HydrophobicContact CG2-CG2 3.85Å; I853-I991 HydrophobicContact CB-CD1 4.36Å; I853-I991 HydrophobicContact CB-CG1 4Å; I853-I991 HydrophobicContact CD1-CG1 4.37Å; I853-I991 HydrophobicContact CG2-CD1 4.06Å; I853-I991 HydrophobicContact CG2-CG1 3.62Å; Q854-I991 HydrophobicContact CG-CD1 3.71Å; V922-I991 HydrophobicContact CB-CD1 3.93Å; V922-I991 HydrophobicContact CG1-CD1 4.37Å; A925-I991 HydrophobicContact CB-CB 4.11Å; A925-I991 HydrophobicContact CB-CG2 3.91Å; I929-I991 HydrophobicContact CD1-CG2 3.61Å; I929-I991 HydrophobicContact CG1-CG2 4.33Å; F987-I991 WeakPolarHBondContact O-CG1 3.44Å; F987-I991 PolarHBondContact O-N 2.85Å; S988-I991 PolarHBondContact O-N 3.46Å; I991-Y994 PolarHBondContact O-N 2.95Å; I991-D995 PolarHBondContact O-N 3.09Å
992	F	96.2	Very high	95.5	Very high	75 Å²	75	49.3 Å²	49.3	33%	0.329	25%	0.252	S	S	.	.	H	α-helix	trans	-60.1	-49.3	179.9	178.4	-96.7	0	0	0	112.5	A925 I928 I929 V937 S988 I989 L990 Y994 E996	A925-F992 HydrophobicContact CB-CB 4.37Å; I928-F992 HydrophobicContact CG2-CD2 3.96Å; I928-F992 HydrophobicContact CG2-CE2 3.74Å; I929-F992 HydrophobicContact CG2-CD2 4.23Å; V937-F992 HydrophobicContact CB-CE2 4.47Å; V937-F992 HydrophobicContact CG2-CE2 4.15Å; S988-F992 PolarHBondContact O-N 3.29Å; S988-F992 VanDerWaalsContact O-N 3.13Å; I989-F992 PolarHBondContact O-N 2.91Å; L990-F992 PolarHBondContact O-N 3.42Å; F992-Y994 PolarHBondContact O-N 3.14Å; F992-E996 VanDerWaalsContact O-CB 3.31Å; F992-E996 WeakPolarHBondContact O-CB 3.33Å; F992-E996 PolarHBondContact O-N 3.06Å
993	V	96.5	Very high	95.5	Very high	77 Å²	77	47.3 Å²	47.3	47%	0.467	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-39.6	-179.6	173.3	0	0	0	0	111.3	I989 L990 T997	I989-V993 HydrophobicContact CG2-CG2 4.21Å; I989-V993 WeakPolarHBondContact O-CG2 3.48Å; I989-V993 PolarHBondContact O-N 3.34Å; L990-V993 PolarHBondContact O-N 3.37Å; V993-T997 VanDerWaalsContact O-CB 3.29Å; V993-T997 WeakPolarHBondContact O-CB 3.5Å; V993-T997 PolarHBondContact O-N 3.02Å; V993-T997 PolarHBondContact O-OG1 3.3Å
994	Y	96.5	Very high	95.5	Very high	90 Å²	90	53.4 Å²	53.4	35%	0.353	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-53.8	179	175.7	-103.9	0	0	0	111.4	Q849 I850 L990 I991 F992 T997 R998	Q849-Y994 HydrophobicContact CB-CE1 4.35Å; Q849-Y994 PolarHBondContact OE1-OH 2.89Å; I850-Y994 HydrophobicContact CD1-CD1 3.71Å; I850-Y994 HydrophobicContact CD1-CE1 4.05Å; L990-Y994 WeakPolarHBondContact O-CB 3.24Å; L990-Y994 PolarHBondContact O-N 3.38Å; I991-Y994 PolarHBondContact O-N 2.95Å; F992-Y994 PolarHBondContact O-N 3.14Å; Y994-T997 PolarHBondContact O-N 3.08Å; Y994-R998 WeakPolarHBondContact O-CB 3.49Å; Y994-R998 PolarHBondContact O-N 3.21Å
995	D	95.7	Very high	95.4	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-38	-178	-173.6	68.3	0	0	0	112.1	I929 I991 T997 R998 K999	I929-D995 HydrophobicContact CB-CB 3.84Å; I929-D995 WeakPolarHBondContact CB-OD2 3.44Å; I929-D995 HydrophobicContact CD1-CB 3.77Å; I929-D995 HydrophobicContact CG1-CB 4.41Å; I929-D995 HydrophobicContact CG2-CB 3.7Å; I991-D995 PolarHBondContact O-N 3.09Å; D995-T997 VanDerWaalsContact C-N 3.3Å; D995-T997 PolarHBondContact O-N 3.14Å; D995-R998 WeakPolarHBondContact O-CB 3.21Å; D995-R998 PolarHBondContact O-N 3.36Å; D995-R998 IonicContact OD1-CZ 2.68Å; D995-R998 IonicContact OD1-NE 2.87Å; D995-R998 PolarHBondContact OD1-NE 3.29Å; D995-R998 IonicContact OD1-NH2 3.13Å; D995-R998 PolarHBondContact OD1-NH2 3.39Å; D995-R998 IonicContact OD2-NH2 3.58Å; D995-K999 WeakPolarHBondContact O-CB 3.26Å; D995-K999 VanDerWaalsContact O-CG 3.31Å; D995-K999 WeakPolarHBondContact O-CG 3.18Å; D995-K999 PolarHBondContact O-N 2.83Å; D995-K999 VanDerWaalsContact OD2-CD 3.27Å; D995-K999 WeakPolarHBondContact OD2-CD 3.39Å; D995-K999 WeakPolarHBondContact OD2-CE 3.33Å; D995-K999 IonicContact OD2-NZ 2.68Å; D995-K999 PolarHBondContact OD2-NZ 3.26Å
996	E	96	Very high	95.1	Very high	30 Å²	30	59.9 Å²	59.9	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-36.2	176.2	-170.5	55.2	-140	0	0	111.7	S936 V937 F992 K999 Y1000 R1003	S936-E996 VanDerWaalsContact CA-OE1 3.3Å; S936-E996 WeakPolarHBondContact CA-OE1 3.02Å; S936-E996 WeakPolarHBondContact CB-OE1 3.2Å; S936-E996 VanDerWaalsContact OG-CD 3.27Å; S936-E996 PolarHBondContact OG-OE1 3.15Å; V937-E996 PolarHBondContact N-OE2 3.01Å; F992-E996 VanDerWaalsContact O-CB 3.31Å; F992-E996 WeakPolarHBondContact O-CB 3.33Å; F992-E996 PolarHBondContact O-N 3.06Å; E996-K999 WeakPolarHBondContact OE2-CE 3.4Å; E996-K999 IonicContact OE2-NZ 2.64Å; E996-Y1000 WeakPolarHBondContact O-CB 3.33Å; E996-Y1000 PolarHBondContact O-N 2.69Å; E996-R1003 IonicContact OE1-NH2 2.78Å; E996-R1003 PolarHBondContact OE1-NH2 3.12Å; E996-R1003 VanDerWaalsContact OE1-NH2 3.14Å
997	T	95.2	Very high	94.8	Very high	73 Å²	73	58.5 Å²	58.5	45%	0.448	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-43.8	172.4	-56.6	0	0	0	0	111.2	V993 Y994 D995 Y1000 L1001	V993-T997 VanDerWaalsContact O-CB 3.29Å; V993-T997 WeakPolarHBondContact O-CB 3.5Å; V993-T997 PolarHBondContact O-N 3.02Å; V993-T997 PolarHBondContact O-OG1 3.3Å; Y994-T997 PolarHBondContact O-N 3.08Å; D995-T997 VanDerWaalsContact C-N 3.3Å; D995-T997 PolarHBondContact O-N 3.14Å; T997-Y1000 WeakPolarHBondContact O-CB 3.45Å; T997-Y1000 PolarHBondContact O-N 3.32Å; T997-L1001 HydrophobicContact CG2-CD1 4.27Å; T997-L1001 WeakPolarHBondContact O-CG 3.5Å; T997-L1001 PolarHBondContact O-N 3.25Å
998	R	94.9	Very high	94.6	Very high	9 Å²	9	57.9 Å²	57.9	3%	0.034	29%	0.294	C	S	.	.	H	α-helix	trans	-57.4	-50.3	175.3	-177.1	-167.7	72.7	85.6	-0.2	111.1	Y994 D995 Y1000 L1001 I1002 I1010 T1014	Y994-R998 WeakPolarHBondContact O-CB 3.49Å; Y994-R998 PolarHBondContact O-N 3.21Å; D995-R998 WeakPolarHBondContact O-CB 3.21Å; D995-R998 PolarHBondContact O-N 3.36Å; D995-R998 IonicContact OD1-CZ 2.68Å; D995-R998 IonicContact OD1-NE 2.87Å; D995-R998 PolarHBondContact OD1-NE 3.29Å; D995-R998 IonicContact OD1-NH2 3.13Å; D995-R998 PolarHBondContact OD1-NH2 3.39Å; D995-R998 IonicContact OD2-NH2 3.58Å; R998-Y1000 VanDerWaalsContact C-N 3.34Å; R998-Y1000 PolarHBondContact O-N 3.02Å; R998-L1001 PolarHBondContact O-N 3.02Å; R998-L1001 VanDerWaalsContact O-N 3.15Å; R998-I1002 HydrophobicContact CG-CD1 4.32Å; R998-I1002 VanDerWaalsContact NH1-CD1 3.3Å; R998-I1002 WeakPolarHBondContact O-CG1 3.37Å; R998-I1002 PolarHBondContact O-N 2.73Å; R998-I1010 HydrophobicContact CG-CG2 3.93Å; R998-T1014 WeakPolarHBondContact CD-OG1 3.45Å; R998-T1014 PolarHBondContact NH1-O 3.37Å; R998-T1014 PolarHBondContact NH1-OG1 2.81Å; R998-T1014 VanDerWaalsContact NH1-OG1 3.11Å
999	K	94.8	Very high	94.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-38.9	178	-66.9	-176.1	-61.8	-149.1	0	111.8	I929 T932 N935 D995 E996 L1001 I1002 R1003	I929-K999 PolarHBondContact O-NZ 3.49Å; T932-K999 WeakPolarHBondContact O-CD 3.16Å; T932-K999 PolarHBondContact O-NZ 2.97Å; T932-K999 PolarHBondContact OG1-NZ 3.08Å; N935-K999 WeakPolarHBondContact O-CD 3.18Å; D995-K999 WeakPolarHBondContact O-CB 3.26Å; D995-K999 VanDerWaalsContact O-CG 3.31Å; D995-K999 WeakPolarHBondContact O-CG 3.18Å; D995-K999 PolarHBondContact O-N 2.83Å; D995-K999 VanDerWaalsContact OD2-CD 3.27Å; D995-K999 WeakPolarHBondContact OD2-CD 3.39Å; D995-K999 WeakPolarHBondContact OD2-CE 3.33Å; D995-K999 IonicContact OD2-NZ 2.68Å; D995-K999 PolarHBondContact OD2-NZ 3.26Å; E996-K999 WeakPolarHBondContact OE2-CE 3.4Å; E996-K999 IonicContact OE2-NZ 2.64Å; K999-L1001 VanDerWaalsContact C-N 3.34Å; K999-L1001 PolarHBondContact O-N 2.91Å; K999-I1002 PolarHBondContact O-N 3.21Å; K999-R1003 VanDerWaalsContact CB-NH1 3.29Å; K999-R1003 WeakPolarHBondContact O-CG 3.27Å; K999-R1003 PolarHBondContact O-N 2.81Å; K999-R1003 PolarHBondContact O-NH1 3.46Å
1000	Y	94.8	Very high	94.2	Very high	111 Å²	111	62.9 Å²	62.9	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-43.7	172.6	174.2	-99.4	0	0	0	112.2	E996 T997 R998 R1003 R1004	E996-Y1000 WeakPolarHBondContact O-CB 3.33Å; E996-Y1000 PolarHBondContact O-N 2.69Å; T997-Y1000 WeakPolarHBondContact O-CB 3.45Å; T997-Y1000 PolarHBondContact O-N 3.32Å; R998-Y1000 VanDerWaalsContact C-N 3.34Å; R998-Y1000 PolarHBondContact O-N 3.02Å; Y1000-R1003 PolarHBondContact O-N 3.12Å; Y1000-R1004 WeakPolarHBondContact O-CB 3.16Å; Y1000-R1004 PolarHBondContact O-N 2.81Å; Y1000-R1004 PolarHBondContact OH-NH1 3.26Å
1001	L	94.3	Very high	93.9	Very high	54 Å²	54	60.1 Å²	60.1	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-66.3	-39.2	177.6	-68	171.4	0	0	0	112.4	T997 R998 K999 R1004 F1005 I1010	T997-L1001 HydrophobicContact CG2-CD1 4.27Å; T997-L1001 WeakPolarHBondContact O-CG 3.5Å; T997-L1001 PolarHBondContact O-N 3.25Å; R998-L1001 PolarHBondContact O-N 3.02Å; R998-L1001 VanDerWaalsContact O-N 3.15Å; K999-L1001 VanDerWaalsContact C-N 3.34Å; K999-L1001 PolarHBondContact O-N 2.91Å; L1001-R1004 PolarHBondContact O-N 3.49Å; L1001-F1005 HydrophobicContact CD2-CD2 4.27Å; L1001-F1005 HydrophobicContact CD2-CE2 4.13Å; L1001-F1005 PolarHBondContact O-N 3.33Å; L1001-I1010 HydrophobicContact CB-CD1 3.7Å; L1001-I1010 HydrophobicContact CD1-CD1 3.54Å; L1001-I1010 HydrophobicContact CG-CD1 4.18Å
1002	I	94.1	Very high	93.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-46.2	174.1	-68.2	168.1	0	0	0	110.9	R934 R998 K999 F1005 I1010 E1011	R934-I1002 HydrophobicContact CG-CG2 4.35Å; R998-I1002 HydrophobicContact CG-CD1 4.32Å; R998-I1002 VanDerWaalsContact NH1-CD1 3.3Å; R998-I1002 WeakPolarHBondContact O-CG1 3.37Å; R998-I1002 PolarHBondContact O-N 2.73Å; K999-I1002 PolarHBondContact O-N 3.21Å; I1002-F1005 CarbonylContact O-C 3.57Å; I1002-I1010 HydrophobicContact CD1-CG2 4.35Å; I1002-I1010 HydrophobicContact CG1-CG2 3.83Å; I1002-E1011 HydrophobicContact CG1-CB 4.37Å; I1002-E1011 HydrophobicContact CG2-CB 4.28Å; I1002-E1011 HydrophobicContact CG2-CG 4.15Å
1003	R	93.7	Very high	93.4	Very high	57 Å²	57	67.1 Å²	67.1	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-38.4	179.2	-69.2	-173.9	-58.5	-93.6	6.9	112.2	R934 E996 K999 Y1000	R934-R1003 HydrophobicContact CG-CG 4.26Å; R934-R1003 WeakPolarHBondContact O-CD 3.49Å; R934-R1003 PolarHBondContact O-NH1 3.24Å; E996-R1003 IonicContact OE1-NH2 2.78Å; E996-R1003 PolarHBondContact OE1-NH2 3.12Å; E996-R1003 VanDerWaalsContact OE1-NH2 3.14Å; K999-R1003 VanDerWaalsContact CB-NH1 3.29Å; K999-R1003 WeakPolarHBondContact O-CG 3.27Å; K999-R1003 PolarHBondContact O-N 2.81Å; K999-R1003 PolarHBondContact O-NH1 3.46Å; Y1000-R1003 PolarHBondContact O-N 3.12Å
1004	R	93.8	Very high	93.2	Very high	149 Å²	149	63.7 Å²	63.7	56%	0.562	30%	0.303	S	S	*	.	H	α-helix	trans	-76.6	-32.7	-177.9	-172.1	171.2	179.8	174.9	-4.4	112.9	Y1000 L1001	Y1000-R1004 WeakPolarHBondContact O-CB 3.16Å; Y1000-R1004 PolarHBondContact O-N 2.81Å; Y1000-R1004 PolarHBondContact OH-NH1 3.26Å; L1001-R1004 PolarHBondContact O-N 3.49Å
1005	F	92.9	Very high	93	Very high	105 Å²	105	62.4 Å²	62.4	46%	0.461	30%	0.298	S	S	.	.	S	Bend	trans	-128.9	73.8	-176.9	-55.6	-72.6	0	0	0	111	L1001 I1002 S1008	L1001-F1005 HydrophobicContact CD2-CD2 4.27Å; L1001-F1005 HydrophobicContact CD2-CE2 4.13Å; L1001-F1005 PolarHBondContact O-N 3.33Å; I1002-F1005 CarbonylContact O-C 3.57Å; F1005-S1008 WeakPolarHBondContact O-CB 3.48Å; F1005-S1008 PolarHBondContact O-N 2.94Å; F1005-S1008 PolarHBondContact O-OG 3.27Å
1006	P	89.5	Confident	92.7	Very high	92 Å²	92	62.6 Å²	62.6	60%	0.597	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	138.8	174	26.8	-34	0	0	0	110.8	S1008 E1011	P1006-S1008 VanDerWaalsContact C-N 3.29Å; P1006-E1011 VanDerWaalsContact CA-OE2 3.29Å; P1006-E1011 WeakPolarHBondContact CA-OE2 3.31Å
1007	G	90	Very high	92.5	Very high	50 Å²	50	64.3 Å²	64.3	52%	0.515	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	0.2	-174.4	0	0	0	0	0	115	E1011	G1007-E1011 PolarHBondContact N-OE2 2.92Å
1008	S	91.3	Very high	92.4	Very high	29 Å²	29	63.8 Å²	63.8	20%	0.203	30%	0.299	C	S	.	.	S	Bend	trans	-66.1	164.4	178	64.5	0	0	0	0	112.8	F1005 P1006 I1010 E1011 K1012	F1005-S1008 WeakPolarHBondContact O-CB 3.48Å; F1005-S1008 PolarHBondContact O-N 2.94Å; F1005-S1008 PolarHBondContact O-OG 3.27Å; P1006-S1008 VanDerWaalsContact C-N 3.29Å; S1008-I1010 PolarHBondContact O-N 2.98Å; S1008-E1011 PolarHBondContact O-N 3.31Å; S1008-E1011 VanDerWaalsContact O-N 3.16Å; S1008-K1012 PolarHBondContact O-N 2.78Å; S1008-K1012 VanDerWaalsContact O-N 3.17Å
1009	W	92.7	Very high	92.3	Very high	185 Å²	185	66.8 Å²	66.8	70%	0.701	31%	0.313	S	S	*	.	H	α-helix	trans	-54.8	-37.3	174	-179.3	80.4	0	0	0	112.1	E1011 K1012 E1013	W1009-E1011 VanDerWaalsContact C-N 3.34Å; W1009-E1011 PolarHBondContact O-N 3.11Å; W1009-K1012 PolarHBondContact O-N 3.01Å; W1009-E1013 HydrophobicContact CD2-CG 3.89Å; W1009-E1013 VanDerWaalsContact CE2-CG 3.42Å; W1009-E1013 HydrophobicContact CG-CG 4.23Å; W1009-E1013 HydrophobicContact CH2-CG 4.34Å; W1009-E1013 HydrophobicContact CZ2-CB 4.45Å; W1009-E1013 HydrophobicContact CZ2-CG 3.69Å; W1009-E1013 WeakPolarHBondContact O-CG 3.09Å; W1009-E1013 PolarHBondContact O-N 2.84Å
1010	I	91.4	Very high	92.1	Very high	42 Å²	42	70.8 Å²	70.8	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-41.5	179.5	-60.9	171.3	0	0	0	111.2	R998 L1001 I1002 S1008 T1014	R998-I1010 HydrophobicContact CG-CG2 3.93Å; L1001-I1010 HydrophobicContact CB-CD1 3.7Å; L1001-I1010 HydrophobicContact CD1-CD1 3.54Å; L1001-I1010 HydrophobicContact CG-CD1 4.18Å; I1002-I1010 HydrophobicContact CD1-CG2 4.35Å; I1002-I1010 HydrophobicContact CG1-CG2 3.83Å; S1008-I1010 PolarHBondContact O-N 2.98Å; I1010-T1014 WeakPolarHBondContact O-CB 3.44Å; I1010-T1014 PolarHBondContact O-N 2.86Å; I1010-T1014 PolarHBondContact O-OG1 2.81Å
1011	E	91.3	Very high	92	Very high	34 Å²	34	68.3 Å²	68.3	16%	0.159	33%	0.325	C	S	.	.	H	α-helix	trans	-67.3	-44	176.5	-174.7	169.3	-155.9	0	0	111	R934 I1002 P1006 G1007 S1008 W1009 E1013 Y1015	R934-E1011 IonicContact CZ-OE1 3.39Å; R934-E1011 IonicContact NH1-OE1 2.58Å; R934-E1011 PolarHBondContact NH1-OE1 2.91Å; I1002-E1011 HydrophobicContact CG1-CB 4.37Å; I1002-E1011 HydrophobicContact CG2-CB 4.28Å; I1002-E1011 HydrophobicContact CG2-CG 4.15Å; P1006-E1011 VanDerWaalsContact CA-OE2 3.29Å; P1006-E1011 WeakPolarHBondContact CA-OE2 3.31Å; G1007-E1011 PolarHBondContact N-OE2 2.92Å; S1008-E1011 PolarHBondContact O-N 3.31Å; S1008-E1011 VanDerWaalsContact O-N 3.16Å; W1009-E1011 VanDerWaalsContact C-N 3.34Å; W1009-E1011 PolarHBondContact O-N 3.11Å; E1011-E1013 VanDerWaalsContact C-N 3.29Å; E1011-E1013 PolarHBondContact O-N 3.35Å; E1011-Y1015 HydrophobicContact CG-CD1 4.33Å; E1011-Y1015 HydrophobicContact CG-CG 4.38Å; E1011-Y1015 WeakPolarHBondContact O-CB 3.41Å; E1011-Y1015 PolarHBondContact O-N 2.93Å; E1011-Y1015 VanDerWaalsContact O-N 3.11Å
1012	K	90.6	Very high	91.8	Very high	130 Å²	130	69.2 Å²	69.2	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-64.8	-29.4	-179.6	-68.4	-176.3	-178.8	-177.2	0	114	R841 S1008 W1009	R841-K1012 WeakPolarHBondContact CD-O 3.5Å; R841-K1012 VanDerWaalsContact CZ-O 3.24Å; R841-K1012 PolarHBondContact NE-O 2.95Å; R841-K1012 PolarHBondContact NH2-O 2.99Å; S1008-K1012 PolarHBondContact O-N 2.78Å; S1008-K1012 VanDerWaalsContact O-N 3.17Å; W1009-K1012 PolarHBondContact O-N 3.01Å
1013	E	91.9	Very high	91.6	Very high	91 Å²	91	74.1 Å²	74.1	43%	0.425	35%	0.352	S	S	.	.	H	α-helix	trans	-98.5	-33	-177.9	-63.9	-62.2	159.7	0	0	113.6	R841 W1009 E1011	R841-E1013 WeakPolarHBondContact CB-O 3.35Å; R841-E1013 WeakPolarHBondContact CG-O 3.35Å; W1009-E1013 HydrophobicContact CD2-CG 3.89Å; W1009-E1013 VanDerWaalsContact CE2-CG 3.42Å; W1009-E1013 HydrophobicContact CG-CG 4.23Å; W1009-E1013 HydrophobicContact CH2-CG 4.34Å; W1009-E1013 HydrophobicContact CZ2-CB 4.45Å; W1009-E1013 HydrophobicContact CZ2-CG 3.69Å; W1009-E1013 WeakPolarHBondContact O-CG 3.09Å; W1009-E1013 PolarHBondContact O-N 2.84Å; E1011-E1013 VanDerWaalsContact C-N 3.29Å; E1011-E1013 PolarHBondContact O-N 3.35Å
1014	T	91.8	Very high	91.5	Very high	6 Å²	6	75.5 Å²	75.5	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-116.2	-12.6	-168.5	76.6	0	0	0	0	114.8	R998 I1010 Y1016	R998-T1014 WeakPolarHBondContact CD-OG1 3.45Å; R998-T1014 PolarHBondContact NH1-O 3.37Å; R998-T1014 PolarHBondContact NH1-OG1 2.81Å; R998-T1014 VanDerWaalsContact NH1-OG1 3.11Å; I1010-T1014 WeakPolarHBondContact O-CB 3.44Å; I1010-T1014 PolarHBondContact O-N 2.86Å; I1010-T1014 PolarHBondContact O-OG1 2.81Å; T1014-Y1016 PolarHBondContact O-N 3.1Å; T1014-Y1016 VanDerWaalsContact O-N 3.16Å
1015	Y	92.4	Very high	91.3	Very high	63 Å²	63	69.3 Å²	69.3	25%	0.247	35%	0.345	C	S	.	.			trans	-83.7	93.8	175.9	-174.4	-120.1	0	0	0	109.7	R841 R933 R934 E1011	R841-Y1015 WeakPolarHBondContact CD-O 3.24Å; R841-Y1015 PolarHBondContact NH1-O 3.39Å; R933-Y1015 HydrophobicContact CB-CE2 3.91Å; R934-Y1015 HydrophobicContact CB-CE2 3.94Å; E1011-Y1015 HydrophobicContact CG-CD1 4.33Å; E1011-Y1015 HydrophobicContact CG-CG 4.38Å; E1011-Y1015 WeakPolarHBondContact O-CB 3.41Å; E1011-Y1015 PolarHBondContact O-N 2.93Å; E1011-Y1015 VanDerWaalsContact O-N 3.11Å
1016	Y	89.8	Confident	91.1	Very high	5 Å²	5	66.1 Å²	66.1	2%	0.02	34%	0.335	C	S	.	.			trans	-80.1	0	177.3	58	-93	0	0	0	112.4	K766 A770 N839 L842 M845 R933 T1014	K766-Y1016 PolarHBondContact NZ-OXT 3.5Å; A770-Y1016 HydrophobicContact CB-CE2 3.97Å; N839-Y1016 PolarHBondContact ND2-OXT 3.23Å; L842-Y1016 HydrophobicContact CB-CG 4.23Å; L842-Y1016 HydrophobicContact CD1-CD2 3.94Å; L842-Y1016 HydrophobicContact CD1-CG 4.48Å; L842-Y1016 HydrophobicContact CG-CD2 4.07Å; L842-Y1016 HydrophobicContact CG-CG 4.21Å; M845-Y1016 HydrophobicContact CB-CD1 4.16Å; M845-Y1016 HydrophobicContact CB-CE1 4.39Å; M845-Y1016 HydrophobicContact CE-CE1 3.92Å; M845-Y1016 HydrophobicContact CG-CD1 4.14Å; M845-Y1016 HydrophobicContact CG-CE1 4.03Å; R933-Y1016 HydrophobicContact CG-CD2 4.27Å; R933-Y1016 HydrophobicContact CG-CE2 3.67Å; R933-Y1016 PolarHBondContact NE-O 3.31Å; R933-Y1016 VanDerWaalsContact NH2-C 3.32Å; R933-Y1016 PolarHBondContact NH2-O 2.76Å; R933-Y1016 PolarHBondContact NH2-OXT 3.48Å; T1014-Y1016 PolarHBondContact O-N 3.1Å; T1014-Y1016 VanDerWaalsContact O-N 3.16Å

Retrieved 1,016 of 1,016 residues in 542.4 ms (Link to these results)

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