A0A087Y5V6_POEFO 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 A0A087Y5V6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,019 aa.

						>A0A087Y5V6_POEFO|A0A087Y5V6
QNEGHVKFKMLWGAESGGKRKKKDKDLDELKKEVALDDHKISVDEVGKRYGVDLTLGLTNARAAEVLARDGPNALTPPPTTPEWVKFCRQLFGGFSILLWIGAILCFLAYSIQAATEDEPVNDNLYLGVVLAAVVIITGCFSYFQEAKSSRIMDSFKKMVPQQAMVIREGEKLQINAELVVLGDLVEVKGGDRVPADLRVISSSGCKVDNSSLTGESEPQTRSPELTHENPLETRNICFFSTNCVEGNARGIVIATGDRTVMGRIATLASELEVRQTPISIEIEHFIHIITGVAVFLGMSFFILSLILGYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMAKKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTEDQSGSGFDKSSGTWVSLSRVAGLCNRAVFRSGQENLPILMRDTAGDASESALLKCIELCSGSVRDMRARNPKVGEIPFNSTNKYQLSIHEVEDNPSGHLLVMKGAPERILDRCSTIMMHGQEEPLDENWRDAFQNAYLELGGLGERVLGFCHLNLSPSQFPRGFTFDCDYTNFPTEQLCFLGLISMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAERLIIPLSQVNPRDAKACVVHGSDLKDMSYEYLDDLLRNHTEIVFARTSPQQKLIIVEGCQRQAQGAIVAVTGDGVNDSPALKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEISPFLLFIIASVPLPLGTVTILCIDLGTDMVPAISLAYESAESDIMKRQPRNPKTDKLVNERLISMAYGQIGMIQALAGFFTYFVILAENGFLPKDLLGIRISWDDREFNDLEDSYGQQWTYEQRKIIEFTCHTAFFASIVVVQWADVIICKTRRNSLFQQGMKNRILIFGLFVETSLAAFLSYCPGMDVALRMYPMKILWWFCAFPYSLLIFVYDEVRKFILRRSPGGWVEQETYY
					

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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	Q	36.4	Very low	29.1	Very low	244 Å²	244	153.1 Å²	153.1	100%	1.14	76%	0.76	S	S	*	*				0	48.3	0	-77.1	172.3	-29.7	0	0	111.3
2	N	33.6	Very low	29.1	Very low	160 Å²	160	159.1 Å²	159.1	86%	0.856	77%	0.768	S	S	*	*			trans	-114.1	15.6	-172.1	-109	4.5	0	0	0	114.9
3	E	26.4	Very low	29.1	Very low	179 Å²	179	149.5 Å²	149.5	84%	0.836	74%	0.737	S	S	*	*	S	Bend	trans	-115.6	-3.4	179.5	-75.5	-174.3	145.5	0	0	114.5
4	G	27.8	Very low	29.1	Very low	58 Å²	58	144.5 Å²	144.5	60%	0.598	73%	0.731	S	S	*	*	S	Bend	trans	-84.7	-31.8	-179.1	0	0	0	0	0	115.1
5	H	28.5	Very low	29.3	Very low	176 Å²	176	145.5 Å²	145.5	82%	0.815	73%	0.731	S	S	*	*	H	α-helix	trans	-84.3	-14.2	-173.1	-97.9	-51.5	0	0	0	115.1
6	V	29.5	Very low	29.8	Very low	82 Å²	82	140.3 Å²	140.3	50%	0.497	71%	0.713	S	S	.	*	H	α-helix	trans	-85.4	-27.9	179.1	-178.4	0	0	0	0	111.7	M10	V6-M10 HydrophobicContact CG1-CE 3.59Å; V6-M10 HydrophobicContact CG1-SD 4.17Å; V6-M10 PolarHBondContact O-N 2.87Å
7	K	27	Very low	29.9	Very low	155 Å²	155	134.1 Å²	134.1	67%	0.674	69%	0.692	S	S	*	*	H	α-helix	trans	-77.3	-27.3	-178.5	-93.5	178.7	174.5	174.3	0	114.7
8	F	27.5	Very low	30	Very low	179 Å²	179	129.3 Å²	129.3	79%	0.785	68%	0.681	S	S	*	*	H	α-helix	trans	-76.7	-24.7	178.2	-117.2	-90.6	0	0	0	113.5
9	K	29.1	Very low	30.7	Very low	181 Å²	181	130.9 Å²	130.9	79%	0.787	68%	0.682	S	S	*	*	H	α-helix	trans	-87	-25.7	176.1	-125.9	177.3	-176.2	177.3	0	113.4	G13	K9-G13 PolarHBondContact O-N 2.83Å
10	M	27.3	Very low	31.4	Very low	129 Å²	129	132.5 Å²	132.5	64%	0.635	68%	0.678	S	S	*	*	H	α-helix	trans	-78.8	-31.9	-178.7	-81.2	-173.7	-174.1	0	0	114.4	V6 A14	V6-M10 HydrophobicContact CG1-CE 3.59Å; V6-M10 HydrophobicContact CG1-SD 4.17Å; V6-M10 PolarHBondContact O-N 2.87Å; M10-A14 PolarHBondContact O-N 3.09Å
11	L	26.8	Very low	31.9	Very low	141 Å²	141	133.7 Å²	133.7	74%	0.738	68%	0.679	S	S	*	*	H	α-helix	trans	-77.6	-23.2	-177.5	-85.1	152.8	0	0	0	114.1
12	W	28.8	Very low	32.5	Very low	225 Å²	225	128.8 Å²	128.8	85%	0.852	65%	0.654	S	S	*	*	H	α-helix	trans	-104.5	-11.9	173.5	-80.4	79.1	0	0	0	114.1	S16	W12-S16 PolarHBondContact O-OG 2.88Å
13	G	29.5	Very low	33.6	Very low	35 Å²	35	125.9 Å²	125.9	36%	0.361	63%	0.634	S	S	.	*	H	α-helix	trans	-89.9	-26.5	-179.1	0	0	0	0	0	115.2	K9 S16 G17	K9-G13 PolarHBondContact O-N 2.83Å; G13-S16 WeakPolarHBondContact CA-OG 3.49Å; G13-S16 PolarHBondContact O-OG 3.09Å; G13-G17 PolarHBondContact O-N 2.97Å; G13-G17 VanDerWaalsContact O-N 3.11Å
14	A	29.7	Very low	35	Very low	79 Å²	79	121 Å²	121	65%	0.653	61%	0.614	S	S	*	*	H	α-helix	trans	-76.6	-40.2	-173.5	0	0	0	0	0	113.5	M10	M10-A14 PolarHBondContact O-N 3.09Å
15	E	31.5	Very low	36.5	Very low	159 Å²	159	125.7 Å²	125.7	74%	0.743	62%	0.617	S	S	*	*	H	α-helix	trans	-76	-30.9	175.3	-78.1	-170.2	155.5	0	0	113	K19	E15-K19 PolarHBondContact O-N 2.89Å
16	S	36.9	Very low	38.2	Very low	63 Å²	63	120.9 Å²	120.9	44%	0.441	60%	0.597	S	S	.	*	H	α-helix	trans	-74	-34.4	177.4	59.2	0	0	0	0	112.4	W12 G13 G18 K19 R20	W12-S16 PolarHBondContact O-OG 2.88Å; G13-S16 WeakPolarHBondContact CA-OG 3.49Å; G13-S16 PolarHBondContact O-OG 3.09Å; S16-G18 PolarHBondContact O-N 2.99Å; S16-K19 PolarHBondContact O-N 2.7Å; S16-R20 VanDerWaalsContact O-CB 3.24Å; S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 PolarHBondContact O-N 3.31Å
17	G	32.1	Very low	40.1	Very low	35 Å²	35	118 Å²	118	36%	0.361	58%	0.579	S	S	.	*	H	α-helix	trans	-64.8	-35.9	174.9	0	0	0	0	0	114	G13 K21	G13-G17 PolarHBondContact O-N 2.97Å; G13-G17 VanDerWaalsContact O-N 3.11Å; G17-K21 WeakPolarHBondContact O-CB 3.47Å; G17-K21 PolarHBondContact O-N 3.24Å; G17-K21 VanDerWaalsContact O-N 3.1Å
18	G	31.8	Very low	42.1	Very low	48 Å²	48	115.3 Å²	115.3	50%	0.495	57%	0.572	S	S	.	*	H	α-helix	trans	-70.4	-42.2	175	0	0	0	0	0	113.1	S16 K22	S16-G18 PolarHBondContact O-N 2.99Å; G18-K22 PolarHBondContact O-N 2.79Å; G18-K22 VanDerWaalsContact O-N 3.14Å
19	K	44	Very low	44.1	Very low	159 Å²	159	112.7 Å²	112.7	69%	0.691	56%	0.563	S	S	*	*	H	α-helix	trans	-67.4	-39.3	174.5	-79.4	179.6	176.4	173.4	0	112.6	E15 S16 K22 K23	E15-K19 PolarHBondContact O-N 2.89Å; S16-K19 PolarHBondContact O-N 2.7Å; K19-K22 PolarHBondContact O-N 2.82Å; K19-K23 WeakPolarHBondContact O-CB 3.43Å; K19-K23 PolarHBondContact O-N 3.48Å
20	R	44	Very low	46.1	Very low	162 Å²	162	105.5 Å²	105.5	61%	0.611	53%	0.532	S	S	*	.	H	α-helix	trans	-67	-44.8	178.6	-158.1	172.9	-172.6	170.4	2.6	111.7	S16 K22 K23 D24	S16-R20 VanDerWaalsContact O-CB 3.24Å; S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 PolarHBondContact O-N 3.31Å; R20-K22 VanDerWaalsContact C-N 3.3Å; R20-K22 PolarHBondContact O-N 3.09Å; R20-K23 PolarHBondContact O-N 3.13Å; R20-D24 VanDerWaalsContact O-CG 3.28Å; R20-D24 PolarHBondContact O-N 2.72Å
21	K	41.1	Very low	48.1	Very low	159 Å²	159	101.3 Å²	101.3	69%	0.691	51%	0.511	S	S	*	.	H	α-helix	trans	-62.3	-33	172.8	-82.4	-176.1	173.7	-178.9	0	113.9	G17 K25	G17-K21 WeakPolarHBondContact O-CB 3.47Å; G17-K21 PolarHBondContact O-N 3.24Å; G17-K21 VanDerWaalsContact O-N 3.1Å; K21-K25 WeakPolarHBondContact O-CG 3.24Å; K21-K25 PolarHBondContact O-N 3.07Å
22	K	49.4	Very low	50.2	Low	141 Å²	141	101.3 Å²	101.3	61%	0.613	51%	0.505	S	S	*	.	H	α-helix	trans	-70.7	-44.8	174.4	-168.5	178.5	177.5	-175.5	0	110.7	G18 K19 R20 D24 K25 D26	G18-K22 PolarHBondContact O-N 2.79Å; G18-K22 VanDerWaalsContact O-N 3.14Å; K19-K22 PolarHBondContact O-N 2.82Å; R20-K22 VanDerWaalsContact C-N 3.3Å; R20-K22 PolarHBondContact O-N 3.09Å; K22-D24 PolarHBondContact O-N 3.01Å; K22-K25 WeakPolarHBondContact O-CB 3.33Å; K22-K25 PolarHBondContact O-N 3.06Å; K22-D26 VanDerWaalsContact O-CG 3.26Å; K22-D26 PolarHBondContact O-N 2.96Å
23	K	57.3	Low	52	Low	98 Å²	98	93.9 Å²	93.9	43%	0.426	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-42	176.5	-165.3	-179.1	179.9	-169.6	0	112.9	K19 R20 K25 D26 L27	K19-K23 WeakPolarHBondContact O-CB 3.43Å; K19-K23 PolarHBondContact O-N 3.48Å; R20-K23 PolarHBondContact O-N 3.13Å; K23-K25 VanDerWaalsContact C-N 3.33Å; K23-K25 PolarHBondContact O-N 3.44Å; K23-D26 PolarHBondContact O-N 3.38Å; K23-L27 HydrophobicContact CG-CD1 4.44Å; K23-L27 WeakPolarHBondContact O-CB 3.24Å; K23-L27 PolarHBondContact O-N 2.93Å
24	D	56.1	Low	53.8	Low	78 Å²	78	93.2 Å²	93.2	42%	0.417	47%	0.468	S	S	.	.	H	α-helix	trans	-64.7	-38.2	176.1	-67.5	-19.9	0	0	0	111.5	R20 K22 L27 D28	R20-D24 VanDerWaalsContact O-CG 3.28Å; R20-D24 PolarHBondContact O-N 2.72Å; K22-D24 PolarHBondContact O-N 3.01Å; D24-L27 PolarHBondContact O-N 2.91Å; D24-D28 PolarHBondContact O-N 3.41Å
25	K	58.6	Low	55.6	Low	156 Å²	156	94.2 Å²	94.2	68%	0.678	48%	0.477	S	S	*	.	H	α-helix	trans	-66.3	-41.3	173.6	-83.1	-175.3	172.3	-171.3	0	113	K21 K22 K23 L27 D28 E29	K21-K25 WeakPolarHBondContact O-CG 3.24Å; K21-K25 PolarHBondContact O-N 3.07Å; K22-K25 WeakPolarHBondContact O-CB 3.33Å; K22-K25 PolarHBondContact O-N 3.06Å; K23-K25 VanDerWaalsContact C-N 3.33Å; K23-K25 PolarHBondContact O-N 3.44Å; K25-L27 VanDerWaalsContact C-N 3.33Å; K25-D28 PolarHBondContact O-N 2.9Å; K25-E29 PolarHBondContact O-N 3.34Å
26	D	65.3	Low	57.8	Low	74 Å²	74	87.9 Å²	87.9	40%	0.396	45%	0.448	S	S	.	.	H	α-helix	trans	-66.5	-37	178.4	-66	-15.1	0	0	0	110.6	K22 K23 E29 L30	K22-D26 VanDerWaalsContact O-CG 3.26Å; K22-D26 PolarHBondContact O-N 2.96Å; K23-D26 PolarHBondContact O-N 3.38Å; D26-E29 WeakPolarHBondContact O-CB 3.33Å; D26-E29 PolarHBondContact O-N 3.17Å; D26-L30 WeakPolarHBondContact O-CG 3.32Å; D26-L30 PolarHBondContact O-N 3.1Å
27	L	68.9	Low	60.1	Low	23 Å²	23	88.6 Å²	88.6	12%	0.12	45%	0.446	C	S	.	.	H	α-helix	trans	-65.2	-44.4	172.6	-84.7	161.5	0	0	0	112.9	K23 D24 K25 E29 L30 K31 L268 E271	K23-L27 HydrophobicContact CG-CD1 4.44Å; K23-L27 WeakPolarHBondContact O-CB 3.24Å; K23-L27 PolarHBondContact O-N 2.93Å; D24-L27 PolarHBondContact O-N 2.91Å; K25-L27 VanDerWaalsContact C-N 3.33Å; L27-E29 PolarHBondContact O-N 2.96Å; L27-L30 WeakPolarHBondContact O-CB 3.5Å; L27-L30 PolarHBondContact O-N 2.82Å; L27-L30 VanDerWaalsContact O-N 3.16Å; L27-K31 WeakPolarHBondContact O-CG 3.36Å; L27-K31 PolarHBondContact O-N 3.03Å; L27-L268 HydrophobicContact CD2-CD1 4.25Å; L27-E271 HydrophobicContact CD2-CB 3.85Å
28	D	69.4	Low	62.7	Low	97 Å²	97	87.4 Å²	87.4	52%	0.519	43%	0.432	S	S	.	.	H	α-helix	trans	-63.3	-28.8	175.2	-79.3	-18.3	0	0	0	112.1	D24 K25	D24-D28 PolarHBondContact O-N 3.41Å; K25-D28 PolarHBondContact O-N 2.9Å
29	E	69.4	Low	65.4	Low	125 Å²	125	85.1 Å²	85.1	58%	0.584	41%	0.408	S	S	*	.	H	α-helix	trans	-73.4	-39.6	172.4	-166.9	172.9	-177.1	0	0	112	K25 D26 L27 K31 K32	K25-E29 PolarHBondContact O-N 3.34Å; D26-E29 WeakPolarHBondContact O-CB 3.33Å; D26-E29 PolarHBondContact O-N 3.17Å; L27-E29 PolarHBondContact O-N 2.96Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 3.22Å; E29-K32 WeakPolarHBondContact O-CB 3.2Å; E29-K32 PolarHBondContact O-N 3.35Å; E29-K32 VanDerWaalsContact O-N 3.13Å
30	L	70.3	Confident	67.7	Low	29 Å²	29	82.4 Å²	82.4	15%	0.152	40%	0.397	C	S	.	.	H	α-helix	trans	-64.5	-30.2	173.1	-75	167	0	0	0	113	D26 L27 K32 R264 T267 L268	D26-L30 WeakPolarHBondContact O-CG 3.32Å; D26-L30 PolarHBondContact O-N 3.1Å; L27-L30 WeakPolarHBondContact O-CB 3.5Å; L27-L30 PolarHBondContact O-N 2.82Å; L27-L30 VanDerWaalsContact O-N 3.16Å; L30-K32 PolarHBondContact O-N 2.89Å; L30-R264 HydrophobicContact CD2-CB 4.35Å; L30-R264 HydrophobicContact CD2-CG 4.42Å; L30-T267 HydrophobicContact CD1-CG2 4.25Å; L30-L268 HydrophobicContact CB-CD1 4.08Å
31	K	69.8	Low	69.9	Low	42 Å²	42	76.1 Å²	76.1	18%	0.183	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.8	173.8	-75.1	-176.4	173.1	-162.4	0	113.6	L27 E29 L268 Q690 L693 E697	L27-K31 WeakPolarHBondContact O-CG 3.36Å; L27-K31 PolarHBondContact O-N 3.03Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 3.22Å; K31-L268 HydrophobicContact CG-CD1 4.12Å; K31-Q690 WeakPolarHBondContact O-CB 3.47Å; K31-Q690 WeakPolarHBondContact O-CG 3.44Å; K31-L693 HydrophobicContact CG-CD2 4.27Å; K31-E697 VanDerWaalsContact NZ-CD 3.3Å; K31-E697 IonicContact NZ-OE1 3.32Å; K31-E697 PolarHBondContact NZ-OE1 3.34Å; K31-E697 IonicContact NZ-OE2 2.79Å; K31-E697 PolarHBondContact NZ-OE2 3.01Å
32	K	70.4	Confident	72.2	Confident	141 Å²	141	71.7 Å²	71.7	61%	0.613	36%	0.364	S	S	*	.	S	Bend	trans	-80.9	151	176.4	-66.7	174.9	-172.9	176.2	0	111.2	E29 L30 R264	E29-K32 WeakPolarHBondContact O-CB 3.2Å; E29-K32 PolarHBondContact O-N 3.35Å; E29-K32 VanDerWaalsContact O-N 3.13Å; L30-K32 PolarHBondContact O-N 2.89Å; K32-R264 PolarHBondContact O-NH2 2.97Å
33	E	65.8	Low	74.1	Confident	68 Å²	68	66.7 Å²	66.7	32%	0.318	35%	0.345	S	S	.	.			trans	-57.3	150.8	174.3	-70.2	-178.2	167.2	0	0	112.1	A35 K665	E33-A35 PolarHBondContact O-N 3.36Å; E33-K665 WeakPolarHBondContact OE2-CE 3.42Å; E33-K665 IonicContact OE2-NZ 3.41Å; E33-K665 PolarHBondContact OE2-NZ 3.36Å
34	V	67.9	Low	75.6	Confident	22 Å²	22	67.1 Å²	67.1	13%	0.133	35%	0.352	C	S	.	.			trans	-72.3	110.4	-179.9	-176.4	0	0	0	0	109.4	L36 V261	V34-L36 HydrophobicContact CG1-CD1 3.68Å; V34-L36 HydrophobicContact CG1-CG 3.77Å; V34-L36 PolarHBondContact O-N 3Å; V34-V261 HydrophobicContact CG1-CG2 4.28Å; V34-V261 HydrophobicContact CG2-CG1 4.34Å; V34-V261 HydrophobicContact CG2-CG2 4.31Å
35	A	66.9	Low	77.2	Confident	100 Å²	100	68.2 Å²	68.2	83%	0.826	36%	0.355	S	S	*	.			trans	-82.5	98.9	166.5	0	0	0	0	0	109.2	E33	E33-A35 PolarHBondContact O-N 3.36Å
36	L	79.4	Confident	78.6	Confident	26 Å²	26	60.8 Å²	60.8	14%	0.136	32%	0.322	C	S	.	.			trans	-97.2	141.3	165.6	-78.6	147.1	0	0	0	108.5	V34 H39 P231 I237 I254 V261	V34-L36 HydrophobicContact CG1-CD1 3.68Å; V34-L36 HydrophobicContact CG1-CG 3.77Å; V34-L36 PolarHBondContact O-N 3Å; L36-H39 PolarHBondContact O-CE1 2.92Å; L36-H39 PolarHBondContact O-ND1 3.04Å; L36-P231 HydrophobicContact CB-CB 3.89Å; L36-P231 HydrophobicContact CB-CG 4.11Å; L36-P231 HydrophobicContact CD1-CB 3.78Å; L36-P231 HydrophobicContact CD1-CG 4.14Å; L36-P231 HydrophobicContact CG-CB 4.47Å; L36-I237 HydrophobicContact CD1-CD1 4.33Å; L36-I254 HydrophobicContact CD2-CD1 4.07Å; L36-V261 HydrophobicContact CD1-CG2 4.15Å
37	D	84.8	Confident	79.6	Confident	77 Å²	77	57.6 Å²	57.6	41%	0.412	31%	0.307	S	S	.	.			trans	-114.6	-20.2	173.8	74.3	-30.8	0	0	0	112.4	H39 K40 R49	D37-H39 PolarHBondContact O-N 3.28Å; D37-H39 VanDerWaalsContact O-N 3.08Å; D37-K40 WeakPolarHBondContact O-CB 3.35Å; D37-K40 PolarHBondContact O-N 2.87Å; D37-R49 IonicContact OD1-CZ 3.54Å; D37-R49 IonicContact OD1-NH1 2.96Å; D37-R49 PolarHBondContact OD1-NH1 3.44Å; D37-R49 IonicContact OD2-CZ 2.69Å; D37-R49 IonicContact OD2-NH1 3.57Å; D37-R49 PolarHBondContact OD2-NH1 3.01Å; D37-R49 IonicContact OD2-NH2 2.7Å; D37-R49 PolarHBondContact OD2-NH2 3.41Å
38	D	86.3	Confident	80.6	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.053	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.4	-177	-62.4	-72.9	0	0	0	114	I41 R49 Y50 R199 I254	D38-I41 WeakPolarHBondContact O-CG1 3.47Å; D38-R49 WeakPolarHBondContact OD1-CD 3.44Å; D38-R49 IonicContact OD1-CZ 3.99Å; D38-R49 IonicContact OD1-NH1 2.77Å; D38-R49 PolarHBondContact OD1-NH1 3.17Å; D38-Y50 WeakPolarHBondContact OD1-CE2 3.34Å; D38-Y50 PolarHBondContact OD1-OH 2.91Å; D38-Y50 PolarHBondContact OD2-OH 3.45Å; D38-Y50 VanDerWaalsContact OD2-OH 3.14Å; D38-R199 WeakPolarHBondContact O-CD 3.46Å; D38-R199 PolarHBondContact O-NE 3.43Å; D38-I254 HydrophobicContact CB-CD1 4.36Å; D38-I254 HydrophobicContact CB-CG2 4.04Å
39	H	89.5	Confident	81.7	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-22.6	174.9	63.8	-64.2	0	0	0	114.3	L36 D37 E229 T234 N236 I237	L36-H39 PolarHBondContact O-CE1 2.92Å; L36-H39 PolarHBondContact O-ND1 3.04Å; D37-H39 PolarHBondContact O-N 3.28Å; D37-H39 VanDerWaalsContact O-N 3.08Å; H39-E229 PolarHBondContact NE2-O 2.88Å; H39-T234 HydrophobicContact CB-CG2 4.15Å; H39-N236 WeakPolarHBondContact CB-OD1 3.09Å; H39-N236 PolarHBondContact O-ND2 2.74Å; H39-I237 HydrophobicContact CB-CD1 3.69Å; H39-I237 HydrophobicContact CB-CG1 3.95Å
40	K	90.7	Very high	82.7	Confident	102 Å²	102	61.9 Å²	61.9	44%	0.443	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-22.1	-175.7	-54.5	-169.3	-173.5	-167.3	0	112.9	D37 E229	D37-K40 WeakPolarHBondContact O-CB 3.35Å; D37-K40 PolarHBondContact O-N 2.87Å; K40-E229 VanDerWaalsContact CE-OE2 3.3Å; K40-E229 WeakPolarHBondContact CE-OE2 3.19Å; K40-E229 IonicContact NZ-OE2 3.58Å; K40-E229 PolarHBondContact NZ-OE2 2.69Å
41	I	90.6	Very high	83.6	Confident	29 Å²	29	63.4 Å²	63.4	15%	0.149	34%	0.337	C	S	.	.	S	Bend	trans	-87.6	158.1	-179.5	54.1	164	0	0	0	112.2	D38 E45 V46	D38-I41 WeakPolarHBondContact O-CG1 3.47Å; I41-E45 HydrophobicContact CB-CB 4.41Å; I41-E45 HydrophobicContact CB-CG 4.4Å; I41-E45 HydrophobicContact CD1-CG 4.41Å; I41-V46 HydrophobicContact CD1-CB 4.34Å; I41-V46 HydrophobicContact CD1-CG2 3.48Å; I41-V46 VanDerWaalsContact CD1-CG2 3.48Å; I41-V46 HydrophobicContact CG1-CG2 3.55Å
42	S	89.8	Confident	84.5	Confident	66 Å²	66	62 Å²	62	46%	0.462	33%	0.332	S	S	.	.			trans	-68.8	155.3	-179.5	69.7	0	0	0	0	112.1	D44 E45 V46	S42-D44 VanDerWaalsContact C-N 3.27Å; S42-D44 PolarHBondContact O-N 2.98Å; S42-E45 WeakPolarHBondContact O-CB 3.41Å; S42-E45 PolarHBondContact O-N 2.96Å; S42-E45 WeakPolarHBondContact OG-CB 3.4Å; S42-E45 PolarHBondContact OG-N 2.91Å; S42-V46 WeakPolarHBondContact O-CG2 3.33Å; S42-V46 PolarHBondContact O-N 2.7Å
43	V	89.2	Confident	85.5	Confident	37 Å²	37	59 Å²	59	22%	0.224	32%	0.322	C	S	.	.	H	α-helix	trans	-58.8	-38.7	-178.3	-179	0	0	0	0	111.9	E45 V46 G47 L54 I201	V43-E45 VanDerWaalsContact C-N 3.31Å; V43-E45 PolarHBondContact O-N 2.77Å; V43-V46 PolarHBondContact O-N 2.76Å; V43-G47 PolarHBondContact O-N 2.91Å; V43-L54 HydrophobicContact CG1-CD1 3.79Å; V43-L54 HydrophobicContact CG1-CD2 3.87Å; V43-L54 HydrophobicContact CG1-CG 4.48Å; V43-I201 HydrophobicContact CG1-CB 3.95Å; V43-I201 HydrophobicContact CG1-CG2 3.63Å
44	D	87.8	Confident	86.6	Confident	107 Å²	107	58.1 Å²	58.1	57%	0.572	32%	0.32	S	S	*	.	H	α-helix	trans	-65.8	-34.8	176.9	-70.1	-18.8	0	0	0	112.4	S42 G47 K48	S42-D44 VanDerWaalsContact C-N 3.27Å; S42-D44 PolarHBondContact O-N 2.98Å; D44-G47 PolarHBondContact O-N 2.86Å; D44-K48 WeakPolarHBondContact O-CG 3.44Å; D44-K48 PolarHBondContact O-N 2.99Å
45	E	90.1	Very high	87.5	Confident	100 Å²	100	61.8 Å²	61.8	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-74.4	-37.5	178.9	-167.3	168.2	-163.1	0	0	111.6	I41 S42 V43 K48 R49	I41-E45 HydrophobicContact CB-CB 4.41Å; I41-E45 HydrophobicContact CB-CG 4.4Å; I41-E45 HydrophobicContact CD1-CG 4.41Å; S42-E45 WeakPolarHBondContact O-CB 3.41Å; S42-E45 PolarHBondContact O-N 2.96Å; S42-E45 WeakPolarHBondContact OG-CB 3.4Å; S42-E45 PolarHBondContact OG-N 2.91Å; V43-E45 VanDerWaalsContact C-N 3.31Å; V43-E45 PolarHBondContact O-N 2.77Å; E45-K48 PolarHBondContact O-N 2.86Å; E45-R49 WeakPolarHBondContact O-CB 3Å; E45-R49 PolarHBondContact O-N 3.17Å
46	V	88.3	Confident	88.6	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-47.8	169.2	179.1	0	0	0	0	109.9	I41 S42 V43 K48 R49 Y50 R199 I252	I41-V46 HydrophobicContact CD1-CB 4.34Å; I41-V46 HydrophobicContact CD1-CG2 3.48Å; I41-V46 VanDerWaalsContact CD1-CG2 3.48Å; I41-V46 HydrophobicContact CG1-CG2 3.55Å; S42-V46 WeakPolarHBondContact O-CG2 3.33Å; S42-V46 PolarHBondContact O-N 2.7Å; V43-V46 PolarHBondContact O-N 2.76Å; V46-K48 VanDerWaalsContact C-N 3.32Å; V46-K48 PolarHBondContact O-N 3.5Å; V46-R49 PolarHBondContact O-N 3.43Å; V46-Y50 HydrophobicContact CG1-CD2 3.78Å; V46-Y50 HydrophobicContact CG1-CE2 3.95Å; V46-Y50 VanDerWaalsContact O-CD2 3.29Å; V46-Y50 WeakPolarHBondContact O-CD2 3.44Å; V46-Y50 PolarHBondContact O-N 2.91Å; V46-Y50 VanDerWaalsContact O-N 3.08Å; V46-R199 HydrophobicContact CG1-CG 4.33Å; V46-R199 HydrophobicContact CG2-CG 4.29Å; V46-I252 HydrophobicContact CG1-CB 4.49Å; V46-I252 HydrophobicContact CG1-CD1 3.84Å; V46-I252 HydrophobicContact CG1-CG2 4.48Å
47	G	87.2	Confident	89.2	Confident	7 Å²	7	60.5 Å²	60.5	7%	0.072	32%	0.323	C	S	.	.	H	α-helix	trans	-56.8	-43.5	177	0	0	0	0	0	112.6	V43 D44 G51 V52	V43-G47 PolarHBondContact O-N 2.91Å; D44-G47 PolarHBondContact O-N 2.86Å; G47-G51 WeakPolarHBondContact O-CA 3.43Å; G47-G51 PolarHBondContact O-N 3.08Å; G47-V52 PolarHBondContact O-N 2.95Å
48	K	90.1	Very high	89.6	Confident	172 Å²	172	57.1 Å²	57.1	75%	0.748	31%	0.305	S	S	*	.	H	α-helix	trans	-66.1	-41.9	174.8	-74.4	173.4	-173.4	173	0	113.1	D44 E45 V46 Y50 G51	D44-K48 WeakPolarHBondContact O-CG 3.44Å; D44-K48 PolarHBondContact O-N 2.99Å; E45-K48 PolarHBondContact O-N 2.86Å; V46-K48 VanDerWaalsContact C-N 3.32Å; V46-K48 PolarHBondContact O-N 3.5Å; K48-Y50 VanDerWaalsContact C-N 3.32Å; K48-Y50 PolarHBondContact O-N 2.9Å; K48-G51 PolarHBondContact O-N 3.49Å
49	R	91.3	Very high	89.9	Confident	111 Å²	111	60 Å²	60	42%	0.419	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-41.7	-179.3	-178.1	-178.9	-77.3	-166.5	-10.3	111.5	D37 D38 E45 V46	D37-R49 IonicContact OD1-CZ 3.54Å; D37-R49 IonicContact OD1-NH1 2.96Å; D37-R49 PolarHBondContact OD1-NH1 3.44Å; D37-R49 IonicContact OD2-CZ 2.69Å; D37-R49 IonicContact OD2-NH1 3.57Å; D37-R49 PolarHBondContact OD2-NH1 3.01Å; D37-R49 IonicContact OD2-NH2 2.7Å; D37-R49 PolarHBondContact OD2-NH2 3.41Å; D38-R49 WeakPolarHBondContact OD1-CD 3.44Å; D38-R49 IonicContact OD1-CZ 3.99Å; D38-R49 IonicContact OD1-NH1 2.77Å; D38-R49 PolarHBondContact OD1-NH1 3.17Å; E45-R49 WeakPolarHBondContact O-CB 3Å; E45-R49 PolarHBondContact O-N 3.17Å; V46-R49 PolarHBondContact O-N 3.43Å
50	Y	90.3	Very high	90	Very high	52 Å²	52	63.2 Å²	63.2	20%	0.204	34%	0.34	C	S	.	.	H	α-helix	trans	-95	-5.4	-179.7	-63.8	-72.5	0	0	0	114.1	D38 V46 K48 V52 I252 I254	D38-Y50 WeakPolarHBondContact OD1-CE2 3.34Å; D38-Y50 PolarHBondContact OD1-OH 2.91Å; D38-Y50 PolarHBondContact OD2-OH 3.45Å; D38-Y50 VanDerWaalsContact OD2-OH 3.14Å; V46-Y50 HydrophobicContact CG1-CD2 3.78Å; V46-Y50 HydrophobicContact CG1-CE2 3.95Å; V46-Y50 VanDerWaalsContact O-CD2 3.29Å; V46-Y50 WeakPolarHBondContact O-CD2 3.44Å; V46-Y50 PolarHBondContact O-N 2.91Å; V46-Y50 VanDerWaalsContact O-N 3.08Å; K48-Y50 VanDerWaalsContact C-N 3.32Å; K48-Y50 PolarHBondContact O-N 2.9Å; Y50-V52 VanDerWaalsContact C-N 3.35Å; Y50-I252 HydrophobicContact CD2-CG2 4.35Å; Y50-I254 HydrophobicContact CE2-CG2 4.01Å
51	G	88.9	Confident	90.1	Very high	62 Å²	62	61.9 Å²	61.9	64%	0.639	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	36	179.3	0	0	0	0	0	113.3	G47 K48	G47-G51 WeakPolarHBondContact O-CA 3.43Å; G47-G51 PolarHBondContact O-N 3.08Å; K48-G51 PolarHBondContact O-N 3.49Å
52	V	90.2	Very high	90.2	Very high	13 Å²	13	64.8 Å²	64.8	8%	0.079	36%	0.358	C	S	.	.			trans	-111.2	140.4	-176.7	65.8	0	0	0	0	111.4	G47 Y50 L58 G183 I252	G47-V52 PolarHBondContact O-N 2.95Å; Y50-V52 VanDerWaalsContact C-N 3.35Å; V52-L58 HydrophobicContact CB-CD2 3.93Å; V52-L58 HydrophobicContact CB-CG 4.37Å; V52-L58 HydrophobicContact CG2-CD2 4.03Å; V52-L58 HydrophobicContact CG2-CG 4Å; V52-G183 WeakPolarHBondContact CB-O 3.25Å; V52-G183 WeakPolarHBondContact CG2-O 3.43Å; V52-I252 HydrophobicContact CG1-CD1 3.86Å; V52-I252 HydrophobicContact CG1-CG1 4.22Å; V52-I252 HydrophobicContact CG1-CG2 4.08Å
53	D	91	Very high	90.3	Very high	76 Å²	76	61.7 Å²	61.7	41%	0.406	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-78.9	126.9	168	-172.1	-67.7	0	0	0	110	T55 L56 G57	D53-T55 PolarHBondContact O-N 3.45Å; D53-T55 VanDerWaalsContact O-N 3.1Å; D53-T55 WeakPolarHBondContact OD1-CA 3.34Å; D53-T55 PolarHBondContact OD1-N 3.17Å; D53-T55 PolarHBondContact OD1-OG1 3.41Å; D53-L56 HydrophobicContact CB-CB 4.07Å; D53-L56 PolarHBondContact OD1-N 2.98Å; D53-G57 WeakPolarHBondContact O-CA 3.3Å; D53-G57 PolarHBondContact O-N 2.98Å
54	L	88.5	Confident	90.5	Very high	51 Å²	51	62.8 Å²	62.8	27%	0.267	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.2	-175.2	-59.2	177.3	0	0	0	113.9	V43 L185 I252	V43-L54 HydrophobicContact CG1-CD1 3.79Å; V43-L54 HydrophobicContact CG1-CD2 3.87Å; V43-L54 HydrophobicContact CG1-CG 4.48Å; L54-L185 WeakPolarHBondContact O-CD2 3.13Å; L54-I252 HydrophobicContact CD2-CD1 3.63Å
55	T	87.4	Confident	90.8	Very high	98 Å²	98	63 Å²	63	60%	0.601	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-43.8	-178.9	61.8	0	0	0	0	112.9	D53	D53-T55 PolarHBondContact O-N 3.45Å; D53-T55 VanDerWaalsContact O-N 3.1Å; D53-T55 WeakPolarHBondContact OD1-CA 3.34Å; D53-T55 PolarHBondContact OD1-N 3.17Å; D53-T55 PolarHBondContact OD1-OG1 3.41Å
56	L	88.8	Confident	90.9	Very high	90 Å²	90	58.4 Å²	58.4	47%	0.471	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-18.3	-176.6	-61.6	172.4	0	0	0	112.8	D53 R168 E169 G170	D53-L56 HydrophobicContact CB-CB 4.07Å; D53-L56 PolarHBondContact OD1-N 2.98Å; L56-R168 CarbonylContact O-C 3.52Å; L56-E169 PolarHBondContact O-N 3.46Å; L56-E169 VanDerWaalsContact O-N 3.09Å; L56-G170 PolarHBondContact O-N 2.76Å
57	G	92.2	Very high	91.2	Very high	9 Å²	9	60.7 Å²	60.7	9%	0.093	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	72.4	-157.9	-174.3	0	0	0	0	0	113	D53 I167	D53-G57 WeakPolarHBondContact O-CA 3.3Å; D53-G57 PolarHBondContact O-N 2.98Å; G57-I167 WeakPolarHBondContact CA-O 3.4Å
58	L	92.9	Very high	91.4	Very high	7 Å²	7	64.7 Å²	64.7	4%	0.037	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-83.1	160.7	177.9	-71.7	178.4	0	0	0	111.9	V52 R62 R168 E169 V181 G183	V52-L58 HydrophobicContact CB-CD2 3.93Å; V52-L58 HydrophobicContact CB-CG 4.37Å; V52-L58 HydrophobicContact CG2-CD2 4.03Å; V52-L58 HydrophobicContact CG2-CG 4Å; L58-R62 HydrophobicContact CD2-CG 4.21Å; L58-R168 CarbonylContact O-C 3.39Å; L58-R168 WeakPolarHBondContact O-CA 3.26Å; L58-R168 WeakPolarHBondContact O-CB 3.32Å; L58-E169 PolarHBondContact O-N 3.41Å; L58-V181 HydrophobicContact CD1-CG2 4.22Å; L58-G183 VanDerWaalsContact CD1-C 3.48Å
59	T	93.6	Very high	91.5	Very high	70 Å²	70	63.6 Å²	63.6	43%	0.429	36%	0.361	S	S	.	.			trans	-78.7	152	167	63.2	0	0	0	0	111.1	A61 R62 A63 E169	T59-A61 PolarHBondContact O-N 3.38Å; T59-R62 PolarHBondContact O-N 3.41Å; T59-R62 VanDerWaalsContact OG1-CB 3.24Å; T59-R62 WeakPolarHBondContact OG1-CB 3.45Å; T59-R62 PolarHBondContact OG1-N 2.95Å; T59-A63 PolarHBondContact O-N 2.92Å; T59-E169 WeakPolarHBondContact CA-OE1 3.49Å; T59-E169 WeakPolarHBondContact CB-OE1 3.4Å; T59-E169 HydrophobicContact CG2-CG 4.4Å
60	N	91.6	Very high	91.4	Very high	68 Å²	68	60.1 Å²	60.1	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-36	179.1	-77.4	-56.5	0	0	0	111.7	A64 E169	N60-A64 PolarHBondContact O-N 3.29Å; N60-A64 VanDerWaalsContact O-N 3.13Å; N60-E169 PolarHBondContact N-OE1 2.86Å; N60-E169 VanDerWaalsContact ND2-CD 3.26Å; N60-E169 PolarHBondContact ND2-OE2 2.89Å
61	A	92.6	Very high	91.5	Very high	74 Å²	74	59 Å²	59	61%	0.612	35%	0.354	S	S	*	.	H	α-helix	trans	-65.5	-43.5	175.4	0	0	0	0	0	112.3	T59 A64 E65	T59-A61 PolarHBondContact O-N 3.38Å; A61-A64 PolarHBondContact O-N 3.47Å; A61-E65 PolarHBondContact O-N 2.92Å
62	R	92.4	Very high	91.6	Very high	91 Å²	91	59.8 Å²	59.8	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-66.7	-40.5	178.3	-176.1	57.4	175.7	177.7	3.1	111.3	L58 T59 A64 E65 V66	L58-R62 HydrophobicContact CD2-CG 4.21Å; T59-R62 PolarHBondContact O-N 3.41Å; T59-R62 VanDerWaalsContact OG1-CB 3.24Å; T59-R62 WeakPolarHBondContact OG1-CB 3.45Å; T59-R62 PolarHBondContact OG1-N 2.95Å; R62-A64 VanDerWaalsContact C-N 3.32Å; R62-A64 PolarHBondContact O-N 2.8Å; R62-E65 WeakPolarHBondContact CD-OE2 3.36Å; R62-E65 IonicContact CZ-OE1 2.92Å; R62-E65 IonicContact CZ-OE2 3.94Å; R62-E65 IonicContact NH1-OE1 3.84Å; R62-E65 PolarHBondContact NH1-OE1 3.03Å; R62-E65 IonicContact NH1-OE2 3.87Å; R62-E65 PolarHBondContact NH1-OE2 3.22Å; R62-E65 WeakPolarHBondContact O-CB 3.33Å; R62-E65 PolarHBondContact O-N 3.25Å; R62-V66 HydrophobicContact CG-CG2 4.44Å; R62-V66 WeakPolarHBondContact O-CG2 3.38Å; R62-V66 PolarHBondContact O-N 2.89Å
63	A	92.2	Very high	91.6	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-41.8	176.8	0	0	0	0	0	112.1	T59 V66 L67 V181	T59-A63 PolarHBondContact O-N 2.92Å; A63-V66 PolarHBondContact O-N 2.95Å; A63-L67 WeakPolarHBondContact O-CB 3.45Å; A63-L67 PolarHBondContact O-N 3.38Å; A63-V181 HydrophobicContact CB-CG2 4Å
64	A	92.6	Very high	91.2	Very high	60 Å²	60	57.5 Å²	57.5	50%	0.496	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-37.5	175.2	0	0	0	0	0	112.9	N60 A61 R62 L67 A68	N60-A64 PolarHBondContact O-N 3.29Å; N60-A64 VanDerWaalsContact O-N 3.13Å; A61-A64 PolarHBondContact O-N 3.47Å; R62-A64 VanDerWaalsContact C-N 3.32Å; R62-A64 PolarHBondContact O-N 2.8Å; A64-L67 PolarHBondContact O-N 3.04Å; A64-A68 PolarHBondContact O-N 2.92Å
65	E	94.1	Very high	90.8	Very high	110 Å²	110	58.3 Å²	58.3	51%	0.514	35%	0.345	S	S	.	.	H	α-helix	trans	-63.6	-46.4	174.9	-171.2	-165.7	158.5	0	0	111.7	A61 R62 L67 A68 R69	A61-E65 PolarHBondContact O-N 2.92Å; R62-E65 WeakPolarHBondContact CD-OE2 3.36Å; R62-E65 IonicContact CZ-OE1 2.92Å; R62-E65 IonicContact CZ-OE2 3.94Å; R62-E65 IonicContact NH1-OE1 3.84Å; R62-E65 PolarHBondContact NH1-OE1 3.03Å; R62-E65 IonicContact NH1-OE2 3.87Å; R62-E65 PolarHBondContact NH1-OE2 3.22Å; R62-E65 WeakPolarHBondContact O-CB 3.33Å; R62-E65 PolarHBondContact O-N 3.25Å; E65-L67 VanDerWaalsContact C-N 3.35Å; E65-A68 PolarHBondContact O-N 2.96Å; E65-R69 WeakPolarHBondContact O-CB 3.37Å; E65-R69 PolarHBondContact O-N 3.14Å
66	V	93.2	Very high	90.3	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-65.9	-39.5	178.3	179.6	0	0	0	0	110.7	R62 A63 A68 R69 D70 V181 L182	R62-V66 HydrophobicContact CG-CG2 4.44Å; R62-V66 WeakPolarHBondContact O-CG2 3.38Å; R62-V66 PolarHBondContact O-N 2.89Å; A63-V66 PolarHBondContact O-N 2.95Å; V66-A68 VanDerWaalsContact C-N 3.34Å; V66-A68 PolarHBondContact O-N 2.89Å; V66-R69 PolarHBondContact O-N 3.07Å; V66-D70 VanDerWaalsContact CG1-OD2 3.3Å; V66-D70 WeakPolarHBondContact CG1-OD2 3.46Å; V66-D70 WeakPolarHBondContact O-CB 3.48Å; V66-D70 PolarHBondContact O-N 2.9Å; V66-V181 HydrophobicContact CB-CB 4.09Å; V66-V181 HydrophobicContact CB-CG1 4.44Å; V66-V181 HydrophobicContact CB-CG2 4.17Å; V66-V181 HydrophobicContact CG1-CB 3.75Å; V66-V181 HydrophobicContact CG1-CG1 4.35Å; V66-V181 HydrophobicContact CG1-CG2 4.22Å; V66-L182 HydrophobicContact CG1-CB 4.26Å
67	L	93.1	Very high	89.4	Confident	47 Å²	47	59 Å²	59	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-59.8	-43.7	175.7	-174	65.7	0	0	0	111.7	A63 A64 E65 R69 G71 L179 V181	A63-L67 WeakPolarHBondContact O-CB 3.45Å; A63-L67 PolarHBondContact O-N 3.38Å; A64-L67 PolarHBondContact O-N 3.04Å; E65-L67 VanDerWaalsContact C-N 3.35Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.02Å; L67-G71 WeakPolarHBondContact O-CA 3.29Å; L67-G71 PolarHBondContact O-N 2.96Å; L67-L179 HydrophobicContact CD2-CD2 3.71Å; L67-V181 HydrophobicContact CB-CG1 3.68Å; L67-V181 HydrophobicContact CD1-CG1 3.91Å; L67-V181 HydrophobicContact CG-CG1 4.39Å
68	A	92.5	Very high	88.2	Confident	91 Å²	91	61.9 Å²	61.9	75%	0.752	37%	0.371	S	S	*	.	H	α-helix	trans	-68.6	-30.7	177.5	0	0	0	0	0	112.8	A64 E65 V66	A64-A68 PolarHBondContact O-N 2.92Å; E65-A68 PolarHBondContact O-N 2.96Å; V66-A68 VanDerWaalsContact C-N 3.34Å; V66-A68 PolarHBondContact O-N 2.89Å
69	R	92.1	Very high	87.2	Confident	150 Å²	150	67.6 Å²	67.6	57%	0.566	41%	0.409	S	S	*	.	H	α-helix	trans	-76.1	-47.9	178.3	-173.3	-169.1	71.2	-171.1	-1.9	112.5	E65 V66 L67	E65-R69 WeakPolarHBondContact O-CB 3.37Å; E65-R69 PolarHBondContact O-N 3.14Å; V66-R69 PolarHBondContact O-N 3.07Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 3.02Å
70	D	89.7	Confident	86.1	Confident	38 Å²	38	70 Å²	70	20%	0.203	42%	0.424	C	S	.	.	H	α-helix	trans	-102.1	-12.9	-166	-66	-16.4	0	0	0	114.1	V66 L182 R259	V66-D70 VanDerWaalsContact CG1-OD2 3.3Å; V66-D70 WeakPolarHBondContact CG1-OD2 3.46Å; V66-D70 WeakPolarHBondContact O-CB 3.48Å; V66-D70 PolarHBondContact O-N 2.9Å; D70-L182 WeakPolarHBondContact OD2-CD1 3.42Å; D70-R259 PolarHBondContact O-NH2 3.15Å; D70-R259 VanDerWaalsContact O-NH2 3.17Å
71	G	91.4	Very high	85.4	Confident	27 Å²	27	70 Å²	70	28%	0.278	43%	0.427	S	S	.	.			trans	84.6	173.9	-173.5	0	0	0	0	0	113.5	L67	L67-G71 WeakPolarHBondContact O-CA 3.29Å; L67-G71 PolarHBondContact O-N 2.96Å
72	P	91.1	Very high	85.1	Confident	79 Å²	79	69.6 Å²	69.6	51%	0.513	42%	0.418	S	S	.	.			trans	-66	152	177.7	28.7	-34.5	0	0	0	112	A74 E178	P72-A74 PolarHBondContact O-N 3.33Å; P72-E178 CarbonylContact C-O 3.54Å; P72-E178 WeakPolarHBondContact CA-O 3.31Å; P72-E178 HydrophobicContact CB-CB 4.39Å; P72-E178 WeakPolarHBondContact CB-O 3.47Å
73	N	90.1	Very high	84.8	Confident	7 Å²	7	69 Å²	69	4%	0.037	42%	0.419	C	S	.	.	S	Bend	trans	-77.5	71	170.8	176.8	47.1	0	0	0	110.5	A177 E178 V180 P195 T256 G257	N73-A177 WeakPolarHBondContact CB-O 3.26Å; N73-A177 PolarHBondContact ND2-O 2.89Å; N73-E178 PolarHBondContact N-O 3.1Å; N73-V180 HydrophobicContact CB-CB 4.35Å; N73-V180 WeakPolarHBondContact CB-O 3.49Å; N73-P195 PolarHBondContact ND2-O 2.89Å; N73-T256 HydrophobicContact CB-CG2 4.27Å; N73-T256 WeakPolarHBondContact OD1-CA 3.34Å; N73-G257 PolarHBondContact OD1-N 2.88Å
74	A	83.9	Confident	84.6	Confident	35 Å²	35	78.1 Å²	78.1	29%	0.289	45%	0.453	S	S	.	.	S	Bend	trans	-139.2	155.4	176.3	0	0	0	0	0	109.2	P72 E178 G257	P72-A74 PolarHBondContact O-N 3.33Å; A74-E178 HydrophobicContact CB-CG 4.36Å; A74-G257 WeakPolarHBondContact O-CA 3.32Å
75	L	78.6	Confident	84.4	Confident	67 Å²	67	77.9 Å²	77.9	35%	0.351	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-76.4	131.4	172.4	-61.6	-178.7	0	0	0	109.5	P77 F240 D258 G263 A266	L75-P77 WeakPolarHBondContact O-CD 3.39Å; L75-F240 HydrophobicContact CD1-CE1 4.34Å; L75-F240 HydrophobicContact CD2-CE1 4.27Å; L75-F240 HydrophobicContact CG-CE1 4.28Å; L75-D258 WeakPolarHBondContact CA-OD1 3.47Å; L75-G263 VanDerWaalsContact CD2-CA 3.43Å; L75-A266 HydrophobicContact CD1-CB 4.1Å
76	T	77.5	Confident	83.9	Confident	98 Å²	98	74.7 Å²	74.7	60%	0.601	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-70.6	121.4	177.5	-54.7	0	0	0	0	108.8	D258	T76-D258 WeakPolarHBondContact CB-OD2 3.23Å; T76-D258 PolarHBondContact N-OD1 2.83Å; T76-D258 PolarHBondContact OG1-OD2 3.09Å
77	P	70.2	Confident	83.6	Confident	106 Å²	106	77.1 Å²	77.1	69%	0.688	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-63.4	139.3	177.2	25	-32.2	0	0	0	109.8	L75	L75-P77 WeakPolarHBondContact O-CD 3.39Å
78	P	67.1	Low	83.4	Confident	68 Å²	68	77.4 Å²	77.4	44%	0.442	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-62.6	149.1	-179.6	25	-33.4	0	0	0	110.9	T80	P78-T80 PolarHBondContact O-N 2.69Å
79	P	70.6	Confident	83	Confident	128 Å²	128	81.8 Å²	81.8	83%	0.831	44%	0.442	S	S	*	.			trans	-61.5	110.2	178.4	25.3	-33	0	0	0	109.7
80	T	71.9	Confident	82.6	Confident	120 Å²	120	77.6 Å²	77.6	74%	0.736	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-72.6	133.4	179.8	54	0	0	0	0	110.1	P78 P82	P78-T80 PolarHBondContact O-N 2.69Å; T80-P82 WeakPolarHBondContact O-CD 3.33Å
81	T	76.2	Confident	82.4	Confident	69 Å²	69	76.7 Å²	76.7	42%	0.423	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-65.3	123.2	169.1	44	0	0	0	0	109.2	K86	T81-K86 WeakPolarHBondContact O-CE 3.47Å; T81-K86 WeakPolarHBondContact OG1-CE 3.25Å
82	P	86.8	Confident	82.1	Confident	65 Å²	65	81.2 Å²	81.2	42%	0.422	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-58.9	141.7	179	-28.2	37.7	0	0	0	112.1	T80 W84 V85 K86	T80-P82 WeakPolarHBondContact O-CD 3.33Å; P82-W84 VanDerWaalsContact C-N 3.33Å; P82-W84 PolarHBondContact O-N 3.33Å; P82-V85 HydrophobicContact CB-CG2 4.21Å; P82-V85 HydrophobicContact CG-CG2 4.47Å; P82-V85 WeakPolarHBondContact O-CB 3.41Å; P82-V85 PolarHBondContact O-N 3.17Å; P82-K86 PolarHBondContact O-N 3.14Å
83	E	85.6	Confident	81.4	Confident	79 Å²	79	79 Å²	79	37%	0.369	43%	0.428	S	S	.	.	H	α-helix	trans	-58.2	-39.2	-173.6	-71	-58.9	134	0	0	113.9	V85 K86 F87 Y143	E83-V85 VanDerWaalsContact C-N 3.29Å; E83-V85 PolarHBondContact O-N 3.4Å; E83-K86 WeakPolarHBondContact O-CB 3.37Å; E83-K86 PolarHBondContact O-N 3.14Å; E83-K86 IonicContact OE1-NZ 3.01Å; E83-K86 PolarHBondContact OE1-NZ 2.88Å; E83-F87 PolarHBondContact O-N 3.23Å; E83-Y143 VanDerWaalsContact OE2-CE2 3.25Å; E83-Y143 WeakPolarHBondContact OE2-CE2 3.37Å; E83-Y143 PolarHBondContact OE2-OH 2.98Å
84	W	87.7	Confident	80.6	Confident	191 Å²	191	80.4 Å²	80.4	72%	0.723	44%	0.444	S	S	*	.	H	α-helix	trans	-60.4	-33.1	173.6	68.8	-49.6	0	0	0	113.8	P82 F87 C88	P82-W84 VanDerWaalsContact C-N 3.33Å; P82-W84 PolarHBondContact O-N 3.33Å; W84-F87 PolarHBondContact O-N 2.8Å; W84-C88 WeakPolarHBondContact O-CB 3.46Å; W84-C88 PolarHBondContact O-N 3.28Å; W84-C88 PolarHBondContact O-SG 2.87Å
85	V	89.1	Confident	80	Confident	55 Å²	55	79.2 Å²	79.2	33%	0.333	43%	0.432	S	S	.	.	H	α-helix	trans	-70.6	-40.4	176.2	177.6	0	0	0	0	110.5	P82 E83 C88 R89	P82-V85 HydrophobicContact CB-CG2 4.21Å; P82-V85 HydrophobicContact CG-CG2 4.47Å; P82-V85 WeakPolarHBondContact O-CB 3.41Å; P82-V85 PolarHBondContact O-N 3.17Å; E83-V85 VanDerWaalsContact C-N 3.29Å; E83-V85 PolarHBondContact O-N 3.4Å; V85-C88 PolarHBondContact O-N 3.13Å; V85-R89 PolarHBondContact O-N 2.88Å
86	K	82.9	Confident	80.2	Confident	44 Å²	44	76.3 Å²	76.3	19%	0.191	42%	0.417	C	S	.	.	H	α-helix	trans	-61	-46.5	174	-61.5	179.7	-174.6	166.9	0	110.6	T81 P82 E83 C88 R89 Q90 Y143	T81-K86 WeakPolarHBondContact O-CE 3.47Å; T81-K86 WeakPolarHBondContact OG1-CE 3.25Å; P82-K86 PolarHBondContact O-N 3.14Å; E83-K86 WeakPolarHBondContact O-CB 3.37Å; E83-K86 PolarHBondContact O-N 3.14Å; E83-K86 IonicContact OE1-NZ 3.01Å; E83-K86 PolarHBondContact OE1-NZ 2.88Å; K86-C88 PolarHBondContact O-N 2.81Å; K86-R89 WeakPolarHBondContact O-CB 3.43Å; K86-R89 PolarHBondContact O-N 2.81Å; K86-Q90 PolarHBondContact O-N 3.08Å; K86-Y143 HydrophobicContact CB-CD2 4.42Å; K86-Y143 HydrophobicContact CB-CE2 4.29Å
87	F	87.5	Confident	80.6	Confident	55 Å²	55	75.6 Å²	75.6	24%	0.241	41%	0.409	C	S	.	.	H	α-helix	trans	-58.3	-48.6	176.1	179.9	-108.5	0	0	0	112.5	E83 W84 R89 Q90 L91 C140 Y143	E83-F87 PolarHBondContact O-N 3.23Å; W84-F87 PolarHBondContact O-N 2.8Å; F87-R89 VanDerWaalsContact C-N 3.31Å; F87-R89 PolarHBondContact O-N 3.07Å; F87-Q90 PolarHBondContact O-N 2.96Å; F87-Q90 VanDerWaalsContact O-N 3.12Å; F87-L91 HydrophobicContact CD1-CD1 4.03Å; F87-L91 HydrophobicContact CE1-CD1 3.5Å; F87-L91 VanDerWaalsContact CE1-CD1 3.5Å; F87-L91 HydrophobicContact CE1-CG 4.28Å; F87-L91 HydrophobicContact CZ-CD1 3.89Å; F87-L91 HydrophobicContact CZ-CD2 4.42Å; F87-L91 HydrophobicContact CZ-CG 4.3Å; F87-L91 PolarHBondContact O-N 2.83Å; F87-C140 HydrophobicContact CE2-CB 4.5Å; F87-Y143 HydrophobicContact CB-CD2 3.99Å; F87-Y143 HydrophobicContact CB-CE2 4.32Å; F87-Y143 HydrophobicContact CB-CG 4.22Å; F87-Y143 AromaticContact CD2-CD1 3.99Å; F87-Y143 HydrophobicContact CD2-CD1 3.99Å; F87-Y143 HydrophobicContact CD2-CD2 4.38Å; F87-Y143 AromaticContact CD2-CG 3.75Å; F87-Y143 HydrophobicContact CD2-CG 3.75Å; F87-Y143 HydrophobicContact CG-CG 4.48Å
88	C	88.9	Confident	81	Confident	53 Å²	53	71.4 Å²	71.4	36%	0.358	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-35.4	177.7	-70.9	0	0	0	0	112.9	W84 V85 K86 Q90 L91 F92	W84-C88 WeakPolarHBondContact O-CB 3.46Å; W84-C88 PolarHBondContact O-N 3.28Å; W84-C88 PolarHBondContact O-SG 2.87Å; V85-C88 PolarHBondContact O-N 3.13Å; K86-C88 PolarHBondContact O-N 2.81Å; C88-Q90 VanDerWaalsContact C-N 3.26Å; C88-Q90 PolarHBondContact O-N 2.92Å; C88-L91 PolarHBondContact O-N 3.28Å; C88-F92 WeakPolarHBondContact O-CD2 3.43Å; C88-F92 PolarHBondContact O-N 3.36Å
89	R	84.4	Confident	81.8	Confident	183 Å²	183	68.8 Å²	68.8	69%	0.691	36%	0.363	S	S	*	.	H	α-helix	trans	-59.6	-37.9	174.8	-81.2	-174.1	-178.3	-177.3	0	112.3	V85 K86 F87 L91 F92 G93	V85-R89 PolarHBondContact O-N 2.88Å; K86-R89 WeakPolarHBondContact O-CB 3.43Å; K86-R89 PolarHBondContact O-N 2.81Å; F87-R89 VanDerWaalsContact C-N 3.31Å; F87-R89 PolarHBondContact O-N 3.07Å; R89-L91 VanDerWaalsContact C-N 3.35Å; R89-F92 PolarHBondContact O-N 3.36Å; R89-G93 PolarHBondContact O-N 2.95Å
90	Q	82.6	Confident	82.6	Confident	63 Å²	63	65.4 Å²	65.4	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-68.3	-34	177.5	-59	-60.5	-14.1	0	0	112.1	K86 F87 C88 E146	K86-Q90 PolarHBondContact O-N 3.08Å; F87-Q90 PolarHBondContact O-N 2.96Å; F87-Q90 VanDerWaalsContact O-N 3.12Å; C88-Q90 VanDerWaalsContact C-N 3.26Å; C88-Q90 PolarHBondContact O-N 2.92Å; Q90-E146 PolarHBondContact NE2-OE2 3.19Å
91	L	86.6	Confident	83.3	Confident	18 Å²	18	63.6 Å²	63.6	9%	0.094	32%	0.319	C	S	.	.	H	α-helix	trans	-73	-24	178.6	-69.4	176	0	0	0	114.6	F87 C88 R89 S96 W100 V135	F87-L91 HydrophobicContact CD1-CD1 4.03Å; F87-L91 HydrophobicContact CE1-CD1 3.5Å; F87-L91 VanDerWaalsContact CE1-CD1 3.5Å; F87-L91 HydrophobicContact CE1-CG 4.28Å; F87-L91 HydrophobicContact CZ-CD1 3.89Å; F87-L91 HydrophobicContact CZ-CD2 4.42Å; F87-L91 HydrophobicContact CZ-CG 4.3Å; F87-L91 PolarHBondContact O-N 2.83Å; C88-L91 PolarHBondContact O-N 3.28Å; R89-L91 VanDerWaalsContact C-N 3.35Å; L91-S96 WeakPolarHBondContact O-CB 3.42Å; L91-W100 PolarHBondContact O-NE1 3.28Å; L91-W100 VanDerWaalsContact O-NE1 3.1Å; L91-V135 HydrophobicContact CD2-CG1 4.27Å; L91-V135 WeakPolarHBondContact CD2-O 3.48Å
92	F	85.5	Confident	83.6	Confident	123 Å²	123	60.4 Å²	60.4	54%	0.539	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	20.1	-176.5	-61.1	-69.3	0	0	0	112.7	C88 R89 I97 W100	C88-F92 WeakPolarHBondContact O-CD2 3.43Å; C88-F92 PolarHBondContact O-N 3.36Å; R89-F92 PolarHBondContact O-N 3.36Å; F92-I97 VanDerWaalsContact O-CD1 3.3Å; F92-I97 WeakPolarHBondContact O-CD1 3.16Å; F92-I97 WeakPolarHBondContact O-CG1 3.32Å; F92-W100 AromaticContact CD1-CD1 3.9Å; F92-W100 AromaticContact CD1-NE1 3.9Å; F92-W100 AromaticContact CE1-CD1 3.95Å; F92-W100 AromaticContact CE1-NE1 3.71Å
93	G	74.7	Confident	83.7	Confident	33 Å²	33	57.3 Å²	57.3	34%	0.34	28%	0.28	S	S	.	.	S	Bend	trans	-95	137.9	175.9	0	0	0	0	0	112.6	R89 F95 S96	R89-G93 PolarHBondContact O-N 2.95Å; G93-F95 PolarHBondContact O-N 3.39Å; G93-S96 WeakPolarHBondContact O-CB 3.33Å; G93-S96 PolarHBondContact O-N 2.83Å; G93-S96 PolarHBondContact O-OG 2.96Å
94	G	75.3	Confident	83.9	Confident	35 Å²	35	58.6 Å²	58.6	36%	0.361	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-128	166.5	0	0	0	0	0	115	S96 I97	G94-S96 PolarHBondContact O-N 3.41Å; G94-I97 PolarHBondContact O-N 3.03Å; G94-I97 VanDerWaalsContact O-N 3.16Å
95	F	71.3	Confident	83.7	Confident	11 Å²	11	51.5 Å²	51.5	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-56.8	-28.7	-179.6	-68.7	-63.8	0	0	0	114	G93 I97 L98 L99 F286 I287 I290 V327	G93-F95 PolarHBondContact O-N 3.39Å; F95-I97 PolarHBondContact O-N 2.81Å; F95-L98 WeakPolarHBondContact O-CB 3.34Å; F95-L98 PolarHBondContact O-N 3Å; F95-L99 PolarHBondContact O-N 3.43Å; F95-F286 HydrophobicContact CE2-CD1 4.12Å; F95-F286 AromaticContact CE2-CE1 3.51Å; F95-F286 HydrophobicContact CE2-CE1 3.51Å; F95-F286 HydrophobicContact CE2-CZ 4.25Å; F95-F286 HydrophobicContact CZ-CD1 4.07Å; F95-F286 AromaticContact CZ-CE1 3.44Å; F95-F286 HydrophobicContact CZ-CE1 3.44Å; F95-F286 VanDerWaalsContact CZ-CE1 3.44Å; F95-F286 AromaticContact CZ-CZ 3.78Å; F95-F286 HydrophobicContact CZ-CZ 3.78Å; F95-I287 HydrophobicContact CD1-CG1 4.45Å; F95-I287 HydrophobicContact CD2-CD1 4.27Å; F95-I287 HydrophobicContact CD2-CG1 3.78Å; F95-I287 HydrophobicContact CE1-CB 4.47Å; F95-I287 HydrophobicContact CE1-CG1 4.11Å; F95-I287 HydrophobicContact CE1-CG2 4.41Å; F95-I287 HydrophobicContact CE2-CB 4.49Å; F95-I287 HydrophobicContact CE2-CD1 4.23Å; F95-I287 HydrophobicContact CE2-CG1 3.37Å; F95-I287 HydrophobicContact CG-CG1 4.3Å; F95-I287 HydrophobicContact CZ-CB 4.23Å; F95-I287 HydrophobicContact CZ-CG1 3.55Å; F95-I290 HydrophobicContact CE1-CB 4.21Å; F95-I290 HydrophobicContact CE1-CG2 4.06Å; F95-I290 HydrophobicContact CZ-CB 4.48Å; F95-V327 HydrophobicContact CB-CG1 4.47Å; F95-V327 HydrophobicContact CD1-CG1 4.02Å; F95-V327 HydrophobicContact CG-CG1 4.5Å
96	S	82.3	Confident	83.5	Confident	5 Å²	5	48.9 Å²	48.9	4%	0.035	25%	0.248	C	C	.	.	H	α-helix	trans	-58.1	-32.4	178.9	-57.9	0	0	0	0	112	L91 G93 G94 W100	L91-S96 WeakPolarHBondContact O-CB 3.42Å; G93-S96 WeakPolarHBondContact O-CB 3.33Å; G93-S96 PolarHBondContact O-N 2.83Å; G93-S96 PolarHBondContact O-OG 2.96Å; G94-S96 PolarHBondContact O-N 3.41Å; S96-W100 WeakPolarHBondContact O-CB 3.2Å; S96-W100 PolarHBondContact O-N 2.88Å
97	I	84.6	Confident	83.9	Confident	84 Å²	84	50.1 Å²	50.1	43%	0.431	25%	0.253	S	S	.	.	H	α-helix	trans	-65.3	-44	174.9	-64.5	178.2	0	0	0	110.8	F92 G94 F95 L99 W100 I101	F92-I97 VanDerWaalsContact O-CD1 3.3Å; F92-I97 WeakPolarHBondContact O-CD1 3.16Å; F92-I97 WeakPolarHBondContact O-CG1 3.32Å; G94-I97 PolarHBondContact O-N 3.03Å; G94-I97 VanDerWaalsContact O-N 3.16Å; F95-I97 PolarHBondContact O-N 2.81Å; I97-L99 VanDerWaalsContact C-N 3.34Å; I97-W100 PolarHBondContact O-N 2.95Å; I97-I101 HydrophobicContact CG2-CD1 3.95Å; I97-I101 VanDerWaalsContact O-CG1 3.3Å; I97-I101 WeakPolarHBondContact O-CG1 3.49Å; I97-I101 PolarHBondContact O-N 2.8Å
98	L	78.9	Confident	83.8	Confident	18 Å²	18	51.8 Å²	51.8	9%	0.094	26%	0.264	C	S	.	.	H	α-helix	trans	-66.8	-39.4	-179.3	-172.1	56.8	0	0	0	111	F95 I101 G102 T291 I323 V327	F95-L98 WeakPolarHBondContact O-CB 3.34Å; F95-L98 PolarHBondContact O-N 3Å; L98-I101 PolarHBondContact O-N 2.84Å; L98-G102 PolarHBondContact O-N 3.45Å; L98-T291 HydrophobicContact CD2-CG2 4.49Å; L98-I323 HydrophobicContact CD1-CG2 3.81Å; L98-I323 HydrophobicContact CD2-CG2 4.44Å; L98-I323 HydrophobicContact CG-CG2 4.03Å; L98-V327 HydrophobicContact CD2-CG2 3.22Å; L98-V327 HydrophobicContact CG-CG2 3.8Å
99	L	84.1	Confident	83.4	Confident	12 Å²	12	49.3 Å²	49.3	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-66.8	-38.5	173.3	-65.3	177.3	0	0	0	112.5	F95 I97 I101 G102 A103 L131 V134 V135 V327 E329	F95-L99 PolarHBondContact O-N 3.43Å; I97-L99 VanDerWaalsContact C-N 3.34Å; L99-I101 VanDerWaalsContact C-N 3.35Å; L99-G102 PolarHBondContact O-N 2.98Å; L99-A103 WeakPolarHBondContact O-CB 3.43Å; L99-A103 PolarHBondContact O-N 3.42Å; L99-L131 HydrophobicContact CD2-CD2 4.13Å; L99-V134 HydrophobicContact CD1-CG1 4.35Å; L99-V135 HydrophobicContact CB-CG2 3.44Å; L99-V135 VanDerWaalsContact CB-CG2 3.44Å; L99-V135 HydrophobicContact CD1-CG2 3.89Å; L99-V135 HydrophobicContact CG-CG2 4.33Å; L99-V327 HydrophobicContact CD2-CB 4.38Å; L99-V327 HydrophobicContact CD2-CG1 3.83Å; L99-V327 HydrophobicContact CG-CG1 4.2Å; L99-E329 HydrophobicContact CD1-CG 4.24Å; L99-E329 HydrophobicContact CD2-CG 3.73Å
100	W	88.6	Confident	83.5	Confident	57 Å²	57	42.9 Å²	42.9	22%	0.216	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-43.6	171.7	-84.3	123.7	0	0	0	111.8	L91 F92 S96 I97 A103 I104 A132 V135	L91-W100 PolarHBondContact O-NE1 3.28Å; L91-W100 VanDerWaalsContact O-NE1 3.1Å; F92-W100 AromaticContact CD1-CD1 3.9Å; F92-W100 AromaticContact CD1-NE1 3.9Å; F92-W100 AromaticContact CE1-CD1 3.95Å; F92-W100 AromaticContact CE1-NE1 3.71Å; S96-W100 WeakPolarHBondContact O-CB 3.2Å; S96-W100 PolarHBondContact O-N 2.88Å; I97-W100 PolarHBondContact O-N 2.95Å; W100-A103 PolarHBondContact O-N 3.17Å; W100-I104 WeakPolarHBondContact O-CB 3.46Å; W100-I104 WeakPolarHBondContact O-CD1 3.47Å; W100-I104 WeakPolarHBondContact O-CG1 3.34Å; W100-I104 PolarHBondContact O-N 2.77Å; W100-A132 HydrophobicContact CH2-CB 4.28Å; W100-A132 HydrophobicContact CZ3-CB 3.9Å; W100-V135 HydrophobicContact CZ2-CB 4.36Å; W100-V135 HydrophobicContact CZ2-CG1 3.97Å; W100-V135 VanDerWaalsContact NE1-CG1 3.31Å
101	I	85.1	Confident	83.6	Confident	82 Å²	82	43.2 Å²	43.2	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-61.5	-46.4	175.5	-68.4	166	0	0	0	109.8	I97 L98 L99 A103 I104 L105	I97-I101 HydrophobicContact CG2-CD1 3.95Å; I97-I101 VanDerWaalsContact O-CG1 3.3Å; I97-I101 WeakPolarHBondContact O-CG1 3.49Å; I97-I101 PolarHBondContact O-N 2.8Å; L98-I101 PolarHBondContact O-N 2.84Å; L99-I101 VanDerWaalsContact C-N 3.35Å; I101-A103 PolarHBondContact O-N 2.89Å; I101-I104 PolarHBondContact O-N 2.81Å; I101-L105 HydrophobicContact CG2-CD1 3.88Å; I101-L105 HydrophobicContact CG2-CG 4.35Å; I101-L105 WeakPolarHBondContact O-CB 3.49Å; I101-L105 VanDerWaalsContact O-CG 3.26Å; I101-L105 WeakPolarHBondContact O-CG 2.99Å; I101-L105 PolarHBondContact O-N 2.82Å
102	G	82.9	Confident	83.5	Confident	3 Å²	3	45.2 Å²	45.2	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-57.4	-47.3	175.3	0	0	0	0	0	112.7	L98 L99 L105 C106	L98-G102 PolarHBondContact O-N 3.45Å; L99-G102 PolarHBondContact O-N 2.98Å; G102-L105 PolarHBondContact O-N 3.37Å; G102-C106 PolarHBondContact O-N 2.85Å; G102-C106 PolarHBondContact O-SG 3.14Å
103	A	89	Confident	83.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-45.1	178	0	0	0	0	0	112.3	L99 W100 I101 L105 C106 F107 L131 A132	L99-A103 WeakPolarHBondContact O-CB 3.43Å; L99-A103 PolarHBondContact O-N 3.42Å; W100-A103 PolarHBondContact O-N 3.17Å; I101-A103 PolarHBondContact O-N 2.89Å; A103-L105 VanDerWaalsContact C-N 3.34Å; A103-L105 PolarHBondContact O-N 3.24Å; A103-C106 WeakPolarHBondContact O-CB 3.45Å; A103-C106 PolarHBondContact O-N 3.4Å; A103-F107 HydrophobicContact CB-CE2 4.49Å; A103-F107 WeakPolarHBondContact O-CD2 3.34Å; A103-F107 WeakPolarHBondContact O-CG 3.18Å; A103-F107 PolarHBondContact O-N 3.23Å; A103-L131 HydrophobicContact CB-CB 3.96Å; A103-A132 HydrophobicContact CB-CB 4.47Å
104	I	89.9	Confident	83.8	Confident	106 Å²	106	41 Å²	41	54%	0.544	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-42.2	176.7	-69.1	165.8	0	0	0	110.8	W100 I101 C106 F107 L108	W100-I104 WeakPolarHBondContact O-CB 3.46Å; W100-I104 WeakPolarHBondContact O-CD1 3.47Å; W100-I104 WeakPolarHBondContact O-CG1 3.34Å; W100-I104 PolarHBondContact O-N 2.77Å; I101-I104 PolarHBondContact O-N 2.81Å; I104-C106 VanDerWaalsContact C-N 3.34Å; I104-F107 PolarHBondContact O-N 3.14Å; I104-L108 WeakPolarHBondContact O-CB 3.35Å; I104-L108 PolarHBondContact O-N 3.49Å
105	L	84.6	Confident	84.2	Confident	41 Å²	41	43.4 Å²	43.4	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-37	176.5	-72.6	173.9	0	0	0	112.1	I101 G102 A103 L108 A109 I320	I101-L105 HydrophobicContact CG2-CD1 3.88Å; I101-L105 HydrophobicContact CG2-CG 4.35Å; I101-L105 WeakPolarHBondContact O-CB 3.49Å; I101-L105 VanDerWaalsContact O-CG 3.26Å; I101-L105 WeakPolarHBondContact O-CG 2.99Å; I101-L105 PolarHBondContact O-N 2.82Å; G102-L105 PolarHBondContact O-N 3.37Å; A103-L105 VanDerWaalsContact C-N 3.34Å; A103-L105 PolarHBondContact O-N 3.24Å; L105-L108 PolarHBondContact O-N 3.21Å; L105-A109 WeakPolarHBondContact O-CB 3.31Å; L105-A109 PolarHBondContact O-N 2.79Å; L105-I320 HydrophobicContact CB-CD1 3.67Å; L105-I320 HydrophobicContact CB-CG1 3.75Å; L105-I320 HydrophobicContact CD1-CG1 4.21Å
106	C	84.6	Confident	84.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-45.7	173.3	-67.9	0	0	0	0	111.8	G102 A103 I104 L108 A109 Y110 N124	G102-C106 PolarHBondContact O-N 2.85Å; G102-C106 PolarHBondContact O-SG 3.14Å; A103-C106 WeakPolarHBondContact O-CB 3.45Å; A103-C106 PolarHBondContact O-N 3.4Å; I104-C106 VanDerWaalsContact C-N 3.34Å; C106-L108 VanDerWaalsContact C-N 3.31Å; C106-L108 PolarHBondContact O-N 2.83Å; C106-A109 PolarHBondContact O-N 2.87Å; C106-Y110 WeakPolarHBondContact O-CB 3.4Å; C106-Y110 PolarHBondContact O-N 2.79Å; C106-N124 WeakPolarHBondContact CB-O 3.48Å
107	F	89.6	Confident	84.3	Confident	70 Å²	70	51.6 Å²	51.6	31%	0.307	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-37.1	176	-65.2	-47	0	0	0	112.4	A103 I104 S111 L125 V129	A103-F107 HydrophobicContact CB-CE2 4.49Å; A103-F107 WeakPolarHBondContact O-CD2 3.34Å; A103-F107 WeakPolarHBondContact O-CG 3.18Å; A103-F107 PolarHBondContact O-N 3.23Å; I104-F107 PolarHBondContact O-N 3.14Å; F107-S111 WeakPolarHBondContact O-CB 3.13Å; F107-S111 PolarHBondContact O-N 3.41Å; F107-S111 PolarHBondContact O-OG 2.71Å; F107-L125 HydrophobicContact CD1-CD1 4.14Å; F107-L125 HydrophobicContact CE1-CD1 4.09Å; F107-V129 HydrophobicContact CE1-CG2 3.98Å; F107-V129 HydrophobicContact CZ-CG2 4.16Å
108	L	86.1	Confident	83.4	Confident	90 Å²	90	55.9 Å²	55.9	47%	0.471	31%	0.31	S	S	.	.	H	α-helix	trans	-65.4	-47.2	175.2	-178.2	63.6	0	0	0	111.3	I104 L105 C106 Y110 S111 I112	I104-L108 WeakPolarHBondContact O-CB 3.35Å; I104-L108 PolarHBondContact O-N 3.49Å; L105-L108 PolarHBondContact O-N 3.21Å; C106-L108 VanDerWaalsContact C-N 3.31Å; C106-L108 PolarHBondContact O-N 2.83Å; L108-Y110 VanDerWaalsContact C-N 3.35Å; L108-Y110 PolarHBondContact O-N 3.04Å; L108-S111 PolarHBondContact O-N 2.96Å; L108-I112 HydrophobicContact CD1-CD1 4.3Å; L108-I112 HydrophobicContact CG-CD1 4.11Å; L108-I112 WeakPolarHBondContact O-CG1 3.37Å; L108-I112 PolarHBondContact O-N 2.93Å
109	A	81.1	Confident	82.8	Confident	2 Å²	2	62.3 Å²	62.3	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-45.4	177.5	0	0	0	0	0	111.4	L105 C106 S111 I112 Q113 I317 I320	L105-A109 WeakPolarHBondContact O-CB 3.31Å; L105-A109 PolarHBondContact O-N 2.79Å; C106-A109 PolarHBondContact O-N 2.87Å; A109-S111 PolarHBondContact O-N 3.32Å; A109-I112 PolarHBondContact O-N 3.35Å; A109-Q113 WeakPolarHBondContact O-CG 3.48Å; A109-Q113 PolarHBondContact O-N 3.34Å; A109-I317 HydrophobicContact CB-CG1 4.38Å; A109-I320 HydrophobicContact CB-CD1 4.3Å
110	Y	85.8	Confident	82	Confident	48 Å²	48	63.3 Å²	63.3	19%	0.188	35%	0.347	C	S	.	.	H	α-helix	trans	-61.1	-43.2	174.8	180	-104.2	0	0	0	112.3	C106 L108 I112 Q113 A114 P120 N122 L125	C106-Y110 WeakPolarHBondContact O-CB 3.4Å; C106-Y110 PolarHBondContact O-N 2.79Å; L108-Y110 VanDerWaalsContact C-N 3.35Å; L108-Y110 PolarHBondContact O-N 3.04Å; Y110-I112 VanDerWaalsContact C-N 3.29Å; Y110-I112 PolarHBondContact O-N 3.41Å; Y110-Q113 PolarHBondContact O-N 2.86Å; Y110-A114 VanDerWaalsContact O-CB 3.31Å; Y110-A114 WeakPolarHBondContact O-CB 3.49Å; Y110-A114 PolarHBondContact O-N 2.65Å; Y110-P120 HydrophobicContact CE2-CB 4.23Å; Y110-N122 PolarHBondContact OH-OD1 3Å; Y110-L125 HydrophobicContact CD1-CB 4.09Å; Y110-L125 HydrophobicContact CD1-CD1 4.14Å; Y110-L125 HydrophobicContact CD2-CB 3.84Å; Y110-L125 HydrophobicContact CE1-CB 4.17Å; Y110-L125 HydrophobicContact CE1-CD1 4.2Å; Y110-L125 HydrophobicContact CE1-CD2 4.05Å; Y110-L125 HydrophobicContact CE1-CG 4.37Å; Y110-L125 HydrophobicContact CE2-CB 3.92Å; Y110-L125 HydrophobicContact CG-CB 3.91Å
111	S	86.1	Confident	81.2	Confident	70 Å²	70	62.3 Å²	62.3	49%	0.49	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-36.9	179.3	-58.9	0	0	0	0	112.1	F107 L108 A109 A115	F107-S111 WeakPolarHBondContact O-CB 3.13Å; F107-S111 PolarHBondContact O-N 3.41Å; F107-S111 PolarHBondContact O-OG 2.71Å; L108-S111 PolarHBondContact O-N 2.96Å; A109-S111 PolarHBondContact O-N 3.32Å; S111-A115 WeakPolarHBondContact O-CB 3.34Å; S111-A115 PolarHBondContact O-N 2.79Å
112	I	83.8	Confident	81	Confident	60 Å²	60	61.9 Å²	61.9	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-69.5	-45.1	176	-65.4	165.7	0	0	0	110.6	L108 A109 Y110 A115 T116 L313	L108-I112 HydrophobicContact CD1-CD1 4.3Å; L108-I112 HydrophobicContact CG-CD1 4.11Å; L108-I112 WeakPolarHBondContact O-CG1 3.37Å; L108-I112 PolarHBondContact O-N 2.93Å; A109-I112 PolarHBondContact O-N 3.35Å; Y110-I112 VanDerWaalsContact C-N 3.29Å; Y110-I112 PolarHBondContact O-N 3.41Å; I112-A115 PolarHBondContact O-N 3.38Å; I112-T116 WeakPolarHBondContact O-CB 3.35Å; I112-T116 PolarHBondContact O-N 2.84Å; I112-T116 VanDerWaalsContact O-N 3.11Å; I112-T116 PolarHBondContact O-OG1 3Å; I112-L313 HydrophobicContact CB-CD1 4.18Å; I112-L313 HydrophobicContact CD1-CD1 4.48Å; I112-L313 HydrophobicContact CG2-CD1 3.85Å; I112-L313 HydrophobicContact CG2-CD2 4.3Å
113	Q	80.1	Confident	80.7	Confident	19 Å²	19	64.9 Å²	64.9	9%	0.089	36%	0.361	C	S	.	.	H	α-helix	trans	-60.5	-48.6	176.6	-76.2	176.6	-35	0	0	111.5	A109 Y110 A115 T116 E117 P120 N124 L313	A109-Q113 WeakPolarHBondContact O-CG 3.48Å; A109-Q113 PolarHBondContact O-N 3.34Å; Y110-Q113 PolarHBondContact O-N 2.86Å; Q113-A115 PolarHBondContact O-N 3.39Å; Q113-A115 VanDerWaalsContact O-N 3.16Å; Q113-T116 PolarHBondContact O-N 3.37Å; Q113-E117 PolarHBondContact O-N 2.96Å; Q113-P120 HydrophobicContact CB-CB 4.49Å; Q113-N124 PolarHBondContact OE1-ND2 2.86Å; Q113-L313 HydrophobicContact CG-CD2 3.95Å
114	A	85	Confident	80.2	Confident	47 Å²	47	65.9 Å²	65.9	39%	0.388	37%	0.366	S	S	.	.	H	α-helix	trans	-63	-22	178.2	0	0	0	0	0	113.9	Y110 P120	Y110-A114 VanDerWaalsContact O-CB 3.31Å; Y110-A114 WeakPolarHBondContact O-CB 3.49Å; Y110-A114 PolarHBondContact O-N 2.65Å; A114-P120 HydrophobicContact CB-CB 4Å; A114-P120 HydrophobicContact CB-CG 3.91Å
115	A	84.9	Confident	80.1	Confident	86 Å²	86	63.5 Å²	63.5	71%	0.711	36%	0.355	S	S	*	.	H	α-helix	trans	-88.2	-18.3	174.5	0	0	0	0	0	113.6	S111 I112 Q113	S111-A115 WeakPolarHBondContact O-CB 3.34Å; S111-A115 PolarHBondContact O-N 2.79Å; I112-A115 PolarHBondContact O-N 3.38Å; Q113-A115 PolarHBondContact O-N 3.39Å; Q113-A115 VanDerWaalsContact O-N 3.16Å
116	T	79.8	Confident	80.1	Confident	104 Å²	104	69 Å²	69	64%	0.638	37%	0.373	S	S	*	.	H	α-helix	trans	-109.6	-31.1	-171.4	-46.7	0	0	0	0	112.6	I112 Q113	I112-T116 WeakPolarHBondContact O-CB 3.35Å; I112-T116 PolarHBondContact O-N 2.84Å; I112-T116 VanDerWaalsContact O-N 3.11Å; I112-T116 PolarHBondContact O-OG1 3Å; Q113-T116 PolarHBondContact O-N 3.37Å
117	E	75.6	Confident	79.9	Confident	84 Å²	84	69.8 Å²	69.8	39%	0.393	38%	0.378	S	S	.	.			trans	-115.9	140.9	-175.9	-64	174.5	-169	0	0	110.8	Q113 E119	Q113-E117 PolarHBondContact O-N 2.96Å; E117-E119 VanDerWaalsContact C-N 3.33Å; E117-E119 PolarHBondContact O-N 2.87Å
118	D	65.9	Low	79.8	Confident	175 Å²	175	66.4 Å²	66.4	94%	0.936	36%	0.363	S	S	*	.	S	Bend	trans	-69.5	-26.6	-179	-79.4	-31	0	0	0	113.2
119	E	66.6	Low	80	Confident	152 Å²	152	65.9 Å²	65.9	71%	0.71	36%	0.363	S	S	*	.	S	Bend	trans	-127.9	82.9	175.8	-72.4	-166.3	166.1	0	0	112	E117	E117-E119 VanDerWaalsContact C-N 3.33Å; E117-E119 PolarHBondContact O-N 2.87Å
120	P	67.8	Low	80.3	Confident	34 Å²	34	68.6 Å²	68.6	22%	0.221	38%	0.38	C	S	.	.			trans	-69.6	137.1	-178.4	27.5	-34.5	0	0	0	112.1	Y110 Q113 A114 N122	Y110-P120 HydrophobicContact CE2-CB 4.23Å; Q113-P120 HydrophobicContact CB-CB 4.49Å; A114-P120 HydrophobicContact CB-CB 4Å; A114-P120 HydrophobicContact CB-CG 3.91Å; P120-N122 PolarHBondContact O-N 2.98Å
121	V	71	Confident	80.3	Confident	36 Å²	36	66.3 Å²	66.3	22%	0.218	37%	0.371	C	S	.	.			trans	-72.1	126.7	176.4	-160.3	0	0	0	0	109.8	D123	V121-D123 HydrophobicContact CG1-CB 4.1Å; V121-D123 VanDerWaalsContact CG1-CG 3.48Å; V121-D123 PolarHBondContact O-N 2.79Å; V121-D123 VanDerWaalsContact O-N 3.15Å
122	N	81.3	Confident	80.6	Confident	73 Å²	73	63.7 Å²	63.7	39%	0.39	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-3.2	-177.7	-66.9	-41.8	0	0	0	114	Y110 P120 N124 L125 Y126	Y110-N122 PolarHBondContact OH-OD1 3Å; P120-N122 PolarHBondContact O-N 2.98Å; N122-N124 PolarHBondContact O-N 3.44Å; N122-L125 WeakPolarHBondContact O-CB 3.37Å; N122-L125 PolarHBondContact O-N 3.08Å; N122-L125 VanDerWaalsContact O-N 3.11Å; N122-Y126 HydrophobicContact CB-CD2 3.76Å; N122-Y126 HydrophobicContact CB-CE2 3.55Å; N122-Y126 WeakPolarHBondContact O-CD2 3.38Å; N122-Y126 PolarHBondContact O-N 2.93Å
123	D	76.1	Confident	80.9	Confident	65 Å²	65	62.7 Å²	62.7	35%	0.348	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-45.6	-174.4	-65.1	4.1	0	0	0	112.1	V121 L125 Y126 L127 R975	V121-D123 HydrophobicContact CG1-CB 4.1Å; V121-D123 VanDerWaalsContact CG1-CG 3.48Å; V121-D123 PolarHBondContact O-N 2.79Å; V121-D123 VanDerWaalsContact O-N 3.15Å; D123-L125 VanDerWaalsContact C-N 3.32Å; D123-L125 PolarHBondContact O-N 2.87Å; D123-Y126 PolarHBondContact O-N 2.87Å; D123-L127 VanDerWaalsContact O-CB 3.27Å; D123-L127 WeakPolarHBondContact O-CB 3.38Å; D123-L127 PolarHBondContact O-N 3Å; D123-R975 IonicContact OD1-CZ 3.96Å; D123-R975 IonicContact OD1-NH1 2.7Å; D123-R975 IonicContact OD1-NH2 2.89Å; D123-R975 PolarHBondContact OD1-NH2 3.03Å; D123-R975 IonicContact OD2-CZ 3.21Å; D123-R975 IonicContact OD2-NH1 3.68Å; D123-R975 PolarHBondContact OD2-NH1 3.28Å; D123-R975 IonicContact OD2-NH2 3.05Å; D123-R975 PolarHBondContact OD2-NH2 3.24Å
124	N	78.7	Confident	81.2	Confident	21 Å²	21	62.5 Å²	62.5	11%	0.112	35%	0.354	C	S	.	.	H	α-helix	trans	-66.7	-33.8	178	-73.9	-32.2	0	0	0	112.3	C106 Q113 N122 G128	C106-N124 WeakPolarHBondContact CB-O 3.48Å; Q113-N124 PolarHBondContact OE1-ND2 2.86Å; N122-N124 PolarHBondContact O-N 3.44Å; N124-G128 PolarHBondContact O-N 3.37Å
125	L	86.9	Confident	81.3	Confident	57 Å²	57	60.3 Å²	60.3	30%	0.298	34%	0.335	S	S	.	.	H	α-helix	trans	-67.8	-49.6	174.8	-180	66.6	0	0	0	110.8	F107 Y110 N122 D123 L127 G128 V129	F107-L125 HydrophobicContact CD1-CD1 4.14Å; F107-L125 HydrophobicContact CE1-CD1 4.09Å; Y110-L125 HydrophobicContact CD1-CB 4.09Å; Y110-L125 HydrophobicContact CD1-CD1 4.14Å; Y110-L125 HydrophobicContact CD2-CB 3.84Å; Y110-L125 HydrophobicContact CE1-CB 4.17Å; Y110-L125 HydrophobicContact CE1-CD1 4.2Å; Y110-L125 HydrophobicContact CE1-CD2 4.05Å; Y110-L125 HydrophobicContact CE1-CG 4.37Å; Y110-L125 HydrophobicContact CE2-CB 3.92Å; Y110-L125 HydrophobicContact CG-CB 3.91Å; N122-L125 WeakPolarHBondContact O-CB 3.37Å; N122-L125 PolarHBondContact O-N 3.08Å; N122-L125 VanDerWaalsContact O-N 3.11Å; D123-L125 VanDerWaalsContact C-N 3.32Å; D123-L125 PolarHBondContact O-N 2.87Å; L125-L127 PolarHBondContact O-N 2.79Å; L125-G128 PolarHBondContact O-N 3.25Å; L125-V129 WeakPolarHBondContact O-CG2 3.5Å; L125-V129 PolarHBondContact O-N 2.85Å
126	Y	84.8	Confident	81.6	Confident	155 Å²	155	60 Å²	60	61%	0.608	32%	0.321	S	S	*	.	H	α-helix	trans	-60.5	-45.7	177.9	-76.8	-62.7	0	0	0	111.5	N122 D123 G128 V129 V130	N122-Y126 HydrophobicContact CB-CD2 3.76Å; N122-Y126 HydrophobicContact CB-CE2 3.55Å; N122-Y126 WeakPolarHBondContact O-CD2 3.38Å; N122-Y126 PolarHBondContact O-N 2.93Å; D123-Y126 PolarHBondContact O-N 2.87Å; Y126-G128 PolarHBondContact O-N 3.01Å; Y126-V129 PolarHBondContact O-N 2.8Å; Y126-V130 VanDerWaalsContact O-CG2 3.28Å; Y126-V130 WeakPolarHBondContact O-CG2 3.28Å; Y126-V130 PolarHBondContact O-N 2.8Å
127	L	81.3	Confident	81.9	Confident	17 Å²	17	60.5 Å²	60.5	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-59.8	-46.4	178	-177.1	61.8	0	0	0	111.7	D123 L125 V129 V130 L131 T800 L804	D123-L127 VanDerWaalsContact O-CB 3.27Å; D123-L127 WeakPolarHBondContact O-CB 3.38Å; D123-L127 PolarHBondContact O-N 3Å; L125-L127 PolarHBondContact O-N 2.79Å; L127-V129 VanDerWaalsContact C-N 3.35Å; L127-V129 PolarHBondContact O-N 2.67Å; L127-V130 PolarHBondContact O-N 2.81Å; L127-L131 HydrophobicContact CD1-CD1 4.33Å; L127-L131 HydrophobicContact CD1-CG 4.23Å; L127-L131 HydrophobicContact CG-CD1 4.14Å; L127-L131 HydrophobicContact CG-CG 4.44Å; L127-L131 WeakPolarHBondContact O-CB 3.37Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 3.08Å; L127-T800 HydrophobicContact CD1-CG2 3.53Å; L127-T800 HydrophobicContact CD2-CG2 3.72Å; L127-T800 HydrophobicContact CG-CG2 4.28Å; L127-L804 HydrophobicContact CD1-CD1 3.8Å
128	G	87.3	Confident	82.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-42.1	176.5	0	0	0	0	0	113.1	N124 L125 Y126 A132	N124-G128 PolarHBondContact O-N 3.37Å; L125-G128 PolarHBondContact O-N 3.25Å; Y126-G128 PolarHBondContact O-N 3.01Å; G128-A132 WeakPolarHBondContact O-CB 3.27Å; G128-A132 PolarHBondContact O-N 2.9Å; G128-A132 VanDerWaalsContact O-N 3.07Å
129	V	91.1	Very high	83	Confident	78 Å²	78	49 Å²	49	47%	0.473	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-43.7	175.8	172.6	0	0	0	0	111.4	F107 L125 Y126 L127 A132 A133	F107-V129 HydrophobicContact CE1-CG2 3.98Å; F107-V129 HydrophobicContact CZ-CG2 4.16Å; L125-V129 WeakPolarHBondContact O-CG2 3.5Å; L125-V129 PolarHBondContact O-N 2.85Å; Y126-V129 PolarHBondContact O-N 2.8Å; L127-V129 VanDerWaalsContact C-N 3.35Å; L127-V129 PolarHBondContact O-N 2.67Å; V129-A132 PolarHBondContact O-N 3.21Å; V129-A133 WeakPolarHBondContact O-CB 3.39Å; V129-A133 PolarHBondContact O-N 3.31Å
130	V	87.2	Confident	83.9	Confident	60 Å²	60	43.6 Å²	43.6	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-48	179.5	172.3	0	0	0	0	110.6	Y126 L127 A132 A133 V134 L804	Y126-V130 VanDerWaalsContact O-CG2 3.28Å; Y126-V130 WeakPolarHBondContact O-CG2 3.28Å; Y126-V130 PolarHBondContact O-N 2.8Å; L127-V130 PolarHBondContact O-N 2.81Å; V130-A132 VanDerWaalsContact C-N 3.33Å; V130-A132 PolarHBondContact O-N 3.16Å; V130-A133 WeakPolarHBondContact O-CB 3.19Å; V130-A133 PolarHBondContact O-N 2.74Å; V130-A133 VanDerWaalsContact O-N 3.1Å; V130-V134 HydrophobicContact CG1-CG2 4.34Å; V130-V134 VanDerWaalsContact O-CG2 3.29Å; V130-V134 WeakPolarHBondContact O-CG2 3.32Å; V130-V134 PolarHBondContact O-N 3.2Å; V130-L804 HydrophobicContact CG1-CD1 3.81Å
131	L	85.6	Confident	84.5	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-43.5	177.3	-68.6	176.2	0	0	0	111.9	L99 A103 L127 A133 V134 V135 V324 L804	L99-L131 HydrophobicContact CD2-CD2 4.13Å; A103-L131 HydrophobicContact CB-CB 3.96Å; L127-L131 HydrophobicContact CD1-CD1 4.33Å; L127-L131 HydrophobicContact CD1-CG 4.23Å; L127-L131 HydrophobicContact CG-CD1 4.14Å; L127-L131 HydrophobicContact CG-CG 4.44Å; L127-L131 WeakPolarHBondContact O-CB 3.37Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 3.08Å; L131-A133 PolarHBondContact O-N 2.9Å; L131-V134 PolarHBondContact O-N 3.43Å; L131-V135 WeakPolarHBondContact O-CG2 3.24Å; L131-V135 PolarHBondContact O-N 2.59Å; L131-V135 VanDerWaalsContact O-N 3.13Å; L131-V324 HydrophobicContact CD1-CG2 3.98Å; L131-L804 HydrophobicContact CD2-CD2 4.45Å
132	A	91.1	Very high	84.7	Confident	14 Å²	14	45.1 Å²	45.1	12%	0.116	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-41.2	174.9	0	0	0	0	0	112.1	W100 A103 G128 V129 V130 V135 I136	W100-A132 HydrophobicContact CH2-CB 4.28Å; W100-A132 HydrophobicContact CZ3-CB 3.9Å; A103-A132 HydrophobicContact CB-CB 4.47Å; G128-A132 WeakPolarHBondContact O-CB 3.27Å; G128-A132 PolarHBondContact O-N 2.9Å; G128-A132 VanDerWaalsContact O-N 3.07Å; V129-A132 PolarHBondContact O-N 3.21Å; V130-A132 VanDerWaalsContact C-N 3.33Å; V130-A132 PolarHBondContact O-N 3.16Å; A132-V135 PolarHBondContact O-N 3.24Å; A132-I136 VanDerWaalsContact O-CG1 3.31Å; A132-I136 WeakPolarHBondContact O-CG1 3.25Å; A132-I136 PolarHBondContact O-N 2.92Å; A132-I136 VanDerWaalsContact O-N 3.08Å
133	A	90.3	Very high	84.7	Confident	40 Å²	40	43.5 Å²	43.5	33%	0.331	23%	0.23	S	C	.	.	H	α-helix	trans	-63.9	-40.3	176.5	0	0	0	0	0	112	V129 V130 L131 V135 I136 I137	V129-A133 WeakPolarHBondContact O-CB 3.39Å; V129-A133 PolarHBondContact O-N 3.31Å; V130-A133 WeakPolarHBondContact O-CB 3.19Å; V130-A133 PolarHBondContact O-N 2.74Å; V130-A133 VanDerWaalsContact O-N 3.1Å; L131-A133 PolarHBondContact O-N 2.9Å; A133-V135 PolarHBondContact O-N 2.79Å; A133-I136 PolarHBondContact O-N 3.45Å; A133-I137 WeakPolarHBondContact O-CB 3.29Å; A133-I137 VanDerWaalsContact O-CG1 3.24Å; A133-I137 WeakPolarHBondContact O-CG1 3.46Å; A133-I137 PolarHBondContact O-N 2.93Å
134	V	86.2	Confident	84.8	Confident	14 Å²	14	47.2 Å²	47.2	9%	0.085	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-46.9	175.4	169.9	0	0	0	0	110.8	L99 V130 L131 I136 I137 T138 E329 L808	L99-V134 HydrophobicContact CD1-CG1 4.35Å; V130-V134 HydrophobicContact CG1-CG2 4.34Å; V130-V134 VanDerWaalsContact O-CG2 3.29Å; V130-V134 WeakPolarHBondContact O-CG2 3.32Å; V130-V134 PolarHBondContact O-N 3.2Å; L131-V134 PolarHBondContact O-N 3.43Å; V134-I136 VanDerWaalsContact C-N 3.33Å; V134-I136 PolarHBondContact O-N 3.15Å; V134-I137 PolarHBondContact O-N 2.91Å; V134-T138 VanDerWaalsContact O-CB 3.3Å; V134-T138 WeakPolarHBondContact O-CB 3.22Å; V134-T138 PolarHBondContact O-N 2.73Å; V134-T138 PolarHBondContact O-OG1 3.3Å; V134-E329 HydrophobicContact CG1-CB 4.32Å; V134-L808 HydrophobicContact CG1-CD1 4.36Å; V134-L808 HydrophobicContact CG1-CD2 4.4Å; V134-L808 HydrophobicContact CG2-CD1 3.41Å; V134-L808 VanDerWaalsContact CG2-CD1 3.41Å
135	V	88.2	Confident	84.4	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-42.6	177.6	177.5	0	0	0	0	111.5	L91 L99 W100 L131 A132 A133 G139	L91-V135 HydrophobicContact CD2-CG1 4.27Å; L91-V135 WeakPolarHBondContact CD2-O 3.48Å; L99-V135 HydrophobicContact CB-CG2 3.44Å; L99-V135 VanDerWaalsContact CB-CG2 3.44Å; L99-V135 HydrophobicContact CD1-CG2 3.89Å; L99-V135 HydrophobicContact CG-CG2 4.33Å; W100-V135 HydrophobicContact CZ2-CB 4.36Å; W100-V135 HydrophobicContact CZ2-CG1 3.97Å; W100-V135 VanDerWaalsContact NE1-CG1 3.31Å; L131-V135 WeakPolarHBondContact O-CG2 3.24Å; L131-V135 PolarHBondContact O-N 2.59Å; L131-V135 VanDerWaalsContact O-N 3.13Å; A132-V135 PolarHBondContact O-N 3.24Å; A133-V135 PolarHBondContact O-N 2.79Å; V135-G139 PolarHBondContact O-N 2.82Å
136	I	90.3	Very high	83.4	Confident	79 Å²	79	49.1 Å²	49.1	41%	0.405	25%	0.25	S	S	.	.	H	α-helix	trans	-65.5	-46.6	178.7	-66.8	166	0	0	0	111.4	A132 A133 V134 G139 C140	A132-I136 VanDerWaalsContact O-CG1 3.31Å; A132-I136 WeakPolarHBondContact O-CG1 3.25Å; A132-I136 PolarHBondContact O-N 2.92Å; A132-I136 VanDerWaalsContact O-N 3.08Å; A133-I136 PolarHBondContact O-N 3.45Å; V134-I136 VanDerWaalsContact C-N 3.33Å; V134-I136 PolarHBondContact O-N 3.15Å; I136-G139 PolarHBondContact O-N 3.09Å; I136-C140 WeakPolarHBondContact O-CB 3.41Å; I136-C140 PolarHBondContact O-N 3.21Å; I136-C140 PolarHBondContact O-SG 3.03Å
137	I	87.4	Confident	82.7	Confident	116 Å²	116	42.3 Å²	42.3	60%	0.595	23%	0.226	S	C	*	.	H	α-helix	trans	-62.9	-46.3	-179.7	-69.7	166.2	0	0	0	110.1	A133 V134 C140 F141	A133-I137 WeakPolarHBondContact O-CB 3.29Å; A133-I137 VanDerWaalsContact O-CG1 3.24Å; A133-I137 WeakPolarHBondContact O-CG1 3.46Å; A133-I137 PolarHBondContact O-N 2.93Å; V134-I137 PolarHBondContact O-N 2.91Å; I137-C140 WeakPolarHBondContact O-CB 3.41Å; I137-C140 PolarHBondContact O-N 3.13Å; I137-F141 WeakPolarHBondContact O-CB 3.4Å; I137-F141 PolarHBondContact O-N 3.14Å
138	T	79.6	Confident	81.9	Confident	17 Å²	17	48.7 Å²	48.7	10%	0.104	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-43.8	177.9	-59.8	0	0	0	0	111.2	V134 C140 F141 S142 L332	V134-T138 VanDerWaalsContact O-CB 3.3Å; V134-T138 WeakPolarHBondContact O-CB 3.22Å; V134-T138 PolarHBondContact O-N 2.73Å; V134-T138 PolarHBondContact O-OG1 3.3Å; T138-C140 PolarHBondContact O-N 3.39Å; T138-F141 PolarHBondContact O-N 3.33Å; T138-S142 PolarHBondContact O-N 3.1Å; T138-S142 PolarHBondContact O-OG 3.37Å; T138-S142 VanDerWaalsContact O-OG 3.14Å; T138-L332 HydrophobicContact CG2-CB 4.48Å; T138-L332 HydrophobicContact CG2-CD2 3.85Å; T138-L332 HydrophobicContact CG2-CG 4.3Å
139	G	83.8	Confident	80.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-42	174.9	0	0	0	0	0	113.3	V135 I136 Y143	V135-G139 PolarHBondContact O-N 2.82Å; I136-G139 PolarHBondContact O-N 3.09Å; G139-Y143 VanDerWaalsContact O-CB 3.27Å; G139-Y143 WeakPolarHBondContact O-CB 3.17Å; G139-Y143 PolarHBondContact O-N 3.24Å
140	C	87.1	Confident	79	Confident	39 Å²	39	48.6 Å²	48.6	26%	0.264	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-48.1	172.8	-77.5	0	0	0	0	111.7	F87 I136 I137 T138 Y143 F144	F87-C140 HydrophobicContact CE2-CB 4.5Å; I136-C140 WeakPolarHBondContact O-CB 3.41Å; I136-C140 PolarHBondContact O-N 3.21Å; I136-C140 PolarHBondContact O-SG 3.03Å; I137-C140 WeakPolarHBondContact O-CB 3.41Å; I137-C140 PolarHBondContact O-N 3.13Å; T138-C140 PolarHBondContact O-N 3.39Å; C140-Y143 PolarHBondContact O-N 3.13Å; C140-F144 HydrophobicContact CB-CD2 4.47Å; C140-F144 WeakPolarHBondContact O-CB 3.41Å; C140-F144 WeakPolarHBondContact O-CD2 3.27Å; C140-F144 PolarHBondContact O-N 3.47Å
141	F	79.1	Confident	77.7	Confident	85 Å²	85	54.7 Å²	54.7	37%	0.373	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-51.3	179.8	-174.9	-96.8	0	0	0	111.4	I137 T138 Y143 F144 Q145 T336 V337	I137-F141 WeakPolarHBondContact O-CB 3.4Å; I137-F141 PolarHBondContact O-N 3.14Å; T138-F141 PolarHBondContact O-N 3.33Å; F141-Y143 PolarHBondContact O-N 3.18Å; F141-F144 PolarHBondContact O-N 3.01Å; F141-Q145 VanDerWaalsContact CE1-OE1 3.3Å; F141-Q145 PolarHBondContact O-N 3.36Å; F141-Q145 VanDerWaalsContact O-N 3.15Å; F141-T336 HydrophobicContact CD1-CG2 4.14Å; F141-T336 HydrophobicContact CE1-CG2 3.73Å; F141-V337 HydrophobicContact CE1-CG2 3.96Å; F141-V337 HydrophobicContact CZ-CG2 3.7Å
142	S	75.3	Confident	76.1	Confident	16 Å²	16	58 Å²	58	11%	0.112	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-45.4	177.3	-62	0	0	0	0	112	T138 Q145 E146	T138-S142 PolarHBondContact O-N 3.1Å; T138-S142 PolarHBondContact O-OG 3.37Å; T138-S142 VanDerWaalsContact O-OG 3.14Å; S142-Q145 PolarHBondContact O-N 2.86Å; S142-E146 PolarHBondContact O-N 2.85Å; S142-E146 VanDerWaalsContact O-N 3.16Å
143	Y	82.6	Confident	74.2	Confident	39 Å²	39	58.3 Å²	58.3	15%	0.153	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-47.8	178.2	171	-103.3	0	0	0	112.9	E83 K86 F87 G139 C140 F141 Q145 E146 A147	E83-Y143 VanDerWaalsContact OE2-CE2 3.25Å; E83-Y143 WeakPolarHBondContact OE2-CE2 3.37Å; E83-Y143 PolarHBondContact OE2-OH 2.98Å; K86-Y143 HydrophobicContact CB-CD2 4.42Å; K86-Y143 HydrophobicContact CB-CE2 4.29Å; F87-Y143 HydrophobicContact CB-CD2 3.99Å; F87-Y143 HydrophobicContact CB-CE2 4.32Å; F87-Y143 HydrophobicContact CB-CG 4.22Å; F87-Y143 AromaticContact CD2-CD1 3.99Å; F87-Y143 HydrophobicContact CD2-CD1 3.99Å; F87-Y143 HydrophobicContact CD2-CD2 4.38Å; F87-Y143 AromaticContact CD2-CG 3.75Å; F87-Y143 HydrophobicContact CD2-CG 3.75Å; F87-Y143 HydrophobicContact CG-CG 4.48Å; G139-Y143 VanDerWaalsContact O-CB 3.27Å; G139-Y143 WeakPolarHBondContact O-CB 3.17Å; G139-Y143 PolarHBondContact O-N 3.24Å; C140-Y143 PolarHBondContact O-N 3.13Å; F141-Y143 PolarHBondContact O-N 3.18Å; Y143-Q145 PolarHBondContact O-N 2.92Å; Y143-E146 PolarHBondContact O-N 3.29Å; Y143-A147 HydrophobicContact CE1-CB 4.34Å; Y143-A147 HydrophobicContact CE2-CB 4.39Å; Y143-A147 VanDerWaalsContact O-CB 3.3Å; Y143-A147 WeakPolarHBondContact O-CB 3.05Å; Y143-A147 PolarHBondContact O-N 2.88Å
144	F	77.7	Confident	72.6	Confident	143 Å²	143	60 Å²	60	63%	0.627	29%	0.292	S	S	*	.	H	α-helix	trans	-58.8	-33.9	179.4	-87.4	-61.2	0	0	0	111.9	C140 F141 K148	C140-F144 HydrophobicContact CB-CD2 4.47Å; C140-F144 WeakPolarHBondContact O-CB 3.41Å; C140-F144 WeakPolarHBondContact O-CD2 3.27Å; C140-F144 PolarHBondContact O-N 3.47Å; F141-F144 PolarHBondContact O-N 3.01Å; F144-K148 WeakPolarHBondContact O-CB 3.07Å; F144-K148 PolarHBondContact O-N 2.77Å
145	Q	68.9	Low	70.6	Confident	27 Å²	27	63.3 Å²	63.3	13%	0.126	32%	0.316	C	S	.	.	H	α-helix	trans	-71.4	-44	179.7	-149.9	173.2	-48.6	0	0	112.6	F141 S142 Y143 S149 T340 L356	F141-Q145 VanDerWaalsContact CE1-OE1 3.3Å; F141-Q145 PolarHBondContact O-N 3.36Å; F141-Q145 VanDerWaalsContact O-N 3.15Å; S142-Q145 PolarHBondContact O-N 2.86Å; Y143-Q145 PolarHBondContact O-N 2.92Å; Q145-S149 PolarHBondContact O-N 3.39Å; Q145-T340 VanDerWaalsContact CD-OG1 3.3Å; Q145-T340 PolarHBondContact NE2-OG1 2.88Å; Q145-T340 PolarHBondContact OE1-OG1 2.85Å; Q145-L356 HydrophobicContact CB-CD1 4.21Å; Q145-L356 HydrophobicContact CG-CD1 3.67Å; Q145-L356 HydrophobicContact CG-CD2 4.47Å
146	E	67.8	Low	68.4	Low	92 Å²	92	67.5 Å²	67.5	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-43.7	174.6	-160.6	-178.5	169.6	0	0	111.1	Q90 S142 Y143 K148 S149 S150	Q90-E146 PolarHBondContact NE2-OE2 3.19Å; S142-E146 PolarHBondContact O-N 2.85Å; S142-E146 VanDerWaalsContact O-N 3.16Å; Y143-E146 PolarHBondContact O-N 3.29Å; E146-K148 PolarHBondContact O-N 3.08Å; E146-S149 PolarHBondContact O-N 3.29Å; E146-S150 PolarHBondContact O-N 3.12Å
147	A	69.4	Low	66.3	Low	12 Å²	12	69.8 Å²	69.8	10%	0.099	34%	0.341	C	S	.	.	H	α-helix	trans	-65.3	-39.5	-179.7	0	0	0	0	0	113.2	Y143 S149 S150 R151	Y143-A147 HydrophobicContact CE1-CB 4.34Å; Y143-A147 HydrophobicContact CE2-CB 4.39Å; Y143-A147 VanDerWaalsContact O-CB 3.3Å; Y143-A147 WeakPolarHBondContact O-CB 3.05Å; Y143-A147 PolarHBondContact O-N 2.88Å; A147-S149 VanDerWaalsContact C-N 3.27Å; A147-S149 PolarHBondContact O-N 3.03Å; A147-S150 PolarHBondContact O-N 3.38Å; A147-R151 WeakPolarHBondContact O-CG 3.25Å; A147-R151 PolarHBondContact O-N 2.8Å; A147-R151 VanDerWaalsContact O-N 3.09Å
148	K	65	Low	63.8	Low	151 Å²	151	73.1 Å²	73.1	66%	0.657	35%	0.351	S	S	*	.	H	α-helix	trans	-61.6	-39	178.5	-175	175.4	-178.5	175.9	0	111.7	F144 E146 R151	F144-K148 WeakPolarHBondContact O-CB 3.07Å; F144-K148 PolarHBondContact O-N 2.77Å; E146-K148 PolarHBondContact O-N 3.08Å; K148-R151 PolarHBondContact O-N 3.14Å
149	S	55.7	Low	61.7	Low	24 Å²	24	79.1 Å²	79.1	17%	0.168	38%	0.38	C	S	.	.	H	α-helix	trans	-68.4	-41.4	178.6	-164	0	0	0	0	112.3	Q145 E146 A147 R151 K354	Q145-S149 PolarHBondContact O-N 3.39Å; E146-S149 PolarHBondContact O-N 3.29Å; A147-S149 VanDerWaalsContact C-N 3.27Å; A147-S149 PolarHBondContact O-N 3.03Å; S149-R151 PolarHBondContact O-N 2.87Å; S149-K354 VanDerWaalsContact CB-O 3.22Å; S149-K354 WeakPolarHBondContact CB-O 3.42Å; S149-K354 VanDerWaalsContact OG-C 3.23Å; S149-K354 WeakPolarHBondContact OG-CA 2.97Å; S149-K354 PolarHBondContact OG-O 3.1Å
150	S	61.6	Low	59.5	Low	52 Å²	52	84.6 Å²	84.6	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-62.8	-36.6	175.7	-168.7	0	0	0	0	113.3	E146 A147 I152 M153	E146-S150 PolarHBondContact O-N 3.12Å; A147-S150 PolarHBondContact O-N 3.38Å; S150-I152 PolarHBondContact O-N 2.9Å; S150-M153 WeakPolarHBondContact O-CB 3.44Å; S150-M153 PolarHBondContact O-N 2.83Å
151	R	59.4	Low	57.6	Low	187 Å²	187	88.1 Å²	88.1	71%	0.706	44%	0.436	S	S	*	.	H	α-helix	trans	-68.1	-28.5	-177.4	-77.4	-176.8	-177.5	-179.6	2.7	114.8	A147 K148 S149 M153 D154	A147-R151 WeakPolarHBondContact O-CG 3.25Å; A147-R151 PolarHBondContact O-N 2.8Å; A147-R151 VanDerWaalsContact O-N 3.09Å; K148-R151 PolarHBondContact O-N 3.14Å; S149-R151 PolarHBondContact O-N 2.87Å; R151-M153 PolarHBondContact O-N 2.91Å; R151-D154 PolarHBondContact O-N 3.42Å
152	I	52.6	Low	57.2	Low	71 Å²	71	87.4 Å²	87.4	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-64.6	-24.9	175.6	-64.7	173.2	0	0	0	110.5	S150 S155 F156 L352	S150-I152 PolarHBondContact O-N 2.9Å; I152-S155 PolarHBondContact O-OG 3.29Å; I152-F156 HydrophobicContact CG2-CE2 4.33Å; I152-F156 WeakPolarHBondContact O-CD2 3.49Å; I152-F156 WeakPolarHBondContact O-CE2 3.32Å; I152-L352 HydrophobicContact CG2-CD2 4.33Å
153	M	50.8	Low	57.7	Low	20 Å²	20	92.7 Å²	92.7	10%	0.099	46%	0.456	C	S	.	.	H	α-helix	trans	-80.4	-33.3	179.2	-64.3	-73.8	83.2	0	0	113.4	S150 R151 S155 F156 K354 I745	S150-M153 WeakPolarHBondContact O-CB 3.44Å; S150-M153 PolarHBondContact O-N 2.83Å; R151-M153 PolarHBondContact O-N 2.91Å; M153-S155 PolarHBondContact O-N 2.72Å; M153-F156 HydrophobicContact CE-CD2 3.56Å; M153-F156 HydrophobicContact CE-CE2 3.68Å; M153-F156 PolarHBondContact O-N 3.05Å; M153-K354 HydrophobicContact CG-CD 4.37Å; M153-K354 HydrophobicContact SD-CD 3.74Å; M153-K354 VanDerWaalsContact SD-CE 3.56Å; M153-K354 HydrophobicContact SD-CG 4.32Å; M153-I745 HydrophobicContact CE-CD1 3.79Å; M153-I745 HydrophobicContact SD-CD1 4.05Å
154	D	55.3	Low	58.1	Low	76 Å²	76	91 Å²	91	41%	0.406	45%	0.451	S	S	.	.	H	α-helix	trans	-68.9	-21	179	-70.3	-34.7	0	0	0	112.7	R151 F156 K157	R151-D154 PolarHBondContact O-N 3.42Å; D154-F156 VanDerWaalsContact C-N 3.27Å; D154-F156 PolarHBondContact O-N 2.84Å; D154-K157 PolarHBondContact O-N 3.1Å; D154-K157 IonicContact OD1-NZ 3.49Å; D154-K157 PolarHBondContact OD1-NZ 2.72Å; D154-K157 VanDerWaalsContact OD1-NZ 3.09Å
155	S	46	Very low	58.8	Low	82 Å²	82	86.4 Å²	86.4	57%	0.573	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.2	170.4	38.9	0	0	0	0	114	I152 M153	I152-S155 PolarHBondContact O-OG 3.29Å; M153-S155 PolarHBondContact O-N 2.72Å
156	F	41	Very low	60	Low	89 Å²	89	85.1 Å²	85.1	39%	0.39	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-22.6	177.4	-71.2	-82.9	0	0	0	113.3	I152 M153 D154 K158	I152-F156 HydrophobicContact CG2-CE2 4.33Å; I152-F156 WeakPolarHBondContact O-CD2 3.49Å; I152-F156 WeakPolarHBondContact O-CE2 3.32Å; M153-F156 HydrophobicContact CE-CD2 3.56Å; M153-F156 HydrophobicContact CE-CE2 3.68Å; M153-F156 PolarHBondContact O-N 3.05Å; D154-F156 VanDerWaalsContact C-N 3.27Å; D154-F156 PolarHBondContact O-N 2.84Å; F156-K158 PolarHBondContact O-N 2.72Å; F156-K158 VanDerWaalsContact O-N 3.15Å
157	K	46	Very low	61.3	Low	128 Å²	128	81 Å²	81	56%	0.557	41%	0.407	S	S	*	.	S	Bend	trans	-68.6	-10.1	-179	-75.3	179.1	-178.4	160	0	114.8	D154 M159	D154-K157 PolarHBondContact O-N 3.1Å; D154-K157 IonicContact OD1-NZ 3.49Å; D154-K157 PolarHBondContact OD1-NZ 2.72Å; D154-K157 VanDerWaalsContact OD1-NZ 3.09Å; K157-M159 PolarHBondContact O-N 3.46Å
158	K	34.8	Very low	62.5	Low	185 Å²	185	81.6 Å²	81.6	80%	0.804	41%	0.406	S	S	*	.			trans	-100.5	61.8	-175.1	-70.1	-176.1	177.8	178.9	0	111.8	F156	F156-K158 PolarHBondContact O-N 2.72Å; F156-K158 VanDerWaalsContact O-N 3.15Å
159	M	35.1	Very low	63.8	Low	143 Å²	143	79.5 Å²	79.5	70%	0.704	40%	0.399	S	S	*	.			trans	-136.6	118.4	168.6	-80.2	-169.9	-80.5	0	0	113.5	K157	K157-M159 PolarHBondContact O-N 3.46Å
160	V	37.9	Very low	65.4	Low	116 Å²	116	80.2 Å²	80.2	70%	0.703	41%	0.41	S	S	*	.			trans	57.5	103.8	163.4	-162.6	0	0	0	0	118	Q162	V160-Q162 PolarHBondContact O-N 2.89Å
161	P	48.5	Very low	66.8	Low	113 Å²	113	84.2 Å²	84.2	73%	0.734	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-63.1	131.4	163.9	26.6	-31.3	0	0	0	110
162	Q	69.9	Low	68.4	Low	69 Å²	69	80.3 Å²	80.3	32%	0.322	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-93.7	139	-176.6	-59.3	-161.1	-25.8	0	0	111.2	V160 N176 A177 R193	V160-Q162 PolarHBondContact O-N 2.89Å; Q162-N176 PolarHBondContact O-OD1 3.27Å; Q162-A177 HydrophobicContact CB-CB 4.35Å; Q162-A177 WeakPolarHBondContact O-CB 3.27Å; Q162-A177 PolarHBondContact O-N 2.95Å; Q162-R193 VanDerWaalsContact NE2-CD 3.29Å
163	Q	84.9	Confident	70.3	Confident	128 Å²	128	79.5 Å²	79.5	60%	0.598	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	149.7	171.9	-65.4	-166.7	-23.2	0	0	110.4	Q174 I175	Q163-Q174 HydrophobicContact CB-CG 4Å; Q163-Q174 VanDerWaalsContact OE1-NE2 3.14Å; Q163-I175 CarbonylContact C-O 3.59Å; Q163-I175 VanDerWaalsContact CA-O 3.25Å; Q163-I175 WeakPolarHBondContact CA-O 3.38Å
164	A	90.7	Very high	72.3	Confident	4 Å²	4	84.7 Å²	84.7	3%	0.033	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.7	178.3	0	0	0	0	0	110.2	Q174 I175 V180 P195	A164-Q174 WeakPolarHBondContact O-CA 3.5Å; A164-I175 PolarHBondContact N-O 2.93Å; A164-I175 PolarHBondContact O-N 3.44Å; A164-V180 HydrophobicContact CB-CG2 3.7Å; A164-P195 HydrophobicContact CB-CB 3.67Å; A164-P195 HydrophobicContact CB-CG 3.88Å
165	M	93.4	Very high	74.1	Confident	46 Å²	46	82.3 Å²	82.3	23%	0.227	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	109.5	173.8	-171	170.8	-67.5	0	0	109.6	K172 E187	M165-K172 HydrophobicContact SD-CD 4.46Å; M165-E187 PolarHBondContact O-N 2.85Å
166	V	94.9	Very high	76.2	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155.2	180	-55.7	0	0	0	0	111.1	R168 K172 L173 I175 V180 L185 V186	V166-R168 HydrophobicContact CG2-CG 4.21Å; V166-K172 CarbonylContact O-C 3.58Å; V166-K172 WeakPolarHBondContact O-CA 3.31Å; V166-L173 HydrophobicContact CG2-CB 4.17Å; V166-L173 PolarHBondContact N-O 3.02Å; V166-L173 PolarHBondContact O-N 3.49Å; V166-I175 HydrophobicContact CB-CD1 4.35Å; V166-I175 HydrophobicContact CG1-CD1 3.75Å; V166-I175 HydrophobicContact CG1-CG1 4Å; V166-I175 HydrophobicContact CG2-CD1 3.63Å; V166-I175 HydrophobicContact CG2-CG1 3.9Å; V166-I175 HydrophobicContact CG2-CG2 4.33Å; V166-V180 HydrophobicContact CG1-CG2 4.1Å; V166-L185 CarbonylContact C-O 3.39Å; V166-L185 WeakPolarHBondContact CA-O 3.3Å; V166-V186 HydrophobicContact CG1-CG2 4.24Å
167	I	94.7	Very high	78.5	Confident	6 Å²	6	77.5 Å²	77.5	3%	0.031	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.7	172.3	-54.4	178.8	0	0	0	107.2	G57 E171 K172 L185	G57-I167 WeakPolarHBondContact CA-O 3.4Å; I167-E171 WeakPolarHBondContact CA-O 3.47Å; I167-K172 HydrophobicContact CG1-CG 4.15Å; I167-L185 HydrophobicContact CB-CB 4.22Å; I167-L185 HydrophobicContact CB-CD2 4.01Å; I167-L185 HydrophobicContact CB-CG 4.12Å; I167-L185 HydrophobicContact CD1-CD2 3.95Å; I167-L185 HydrophobicContact CD1-CG 4.17Å; I167-L185 HydrophobicContact CG1-CD2 4.48Å; I167-L185 HydrophobicContact CG1-CG 4.45Å; I167-L185 HydrophobicContact CG2-CD2 4.24Å; I167-L185 PolarHBondContact N-O 3.15Å
168	R	94.1	Very high	80.7	Confident	23 Å²	23	76.2 Å²	76.2	9%	0.087	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136	175.7	-67.1	-178.6	-179.2	164.2	3.2	108.6	L56 L58 V166 G170 E171 L173 L179 D184	L56-R168 CarbonylContact O-C 3.52Å; L58-R168 CarbonylContact O-C 3.39Å; L58-R168 WeakPolarHBondContact O-CA 3.26Å; L58-R168 WeakPolarHBondContact O-CB 3.32Å; V166-R168 HydrophobicContact CG2-CG 4.21Å; R168-G170 PolarHBondContact O-N 3.08Å; R168-G170 VanDerWaalsContact O-N 3.09Å; R168-E171 PolarHBondContact N-O 2.95Å; R168-E171 VanDerWaalsContact N-O 3.09Å; R168-E171 PolarHBondContact O-N 3.5Å; R168-L173 HydrophobicContact CB-CD1 4.34Å; R168-L179 PolarHBondContact NH2-O 3.28Å; R168-D184 IonicContact CZ-OD1 3.45Å; R168-D184 IonicContact CZ-OD2 2.65Å; R168-D184 IonicContact NE-OD1 3.01Å; R168-D184 PolarHBondContact NE-OD1 3.49Å; R168-D184 IonicContact NE-OD2 3.44Å; R168-D184 IonicContact NH2-OD1 3.3Å; R168-D184 PolarHBondContact NH2-OD1 3.22Å; R168-D184 IonicContact NH2-OD2 2.94Å; R168-D184 PolarHBondContact NH2-OD2 3.15Å
169	E	92.4	Very high	83.4	Confident	108 Å²	108	71.1 Å²	71.1	51%	0.505	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	28.8	-177.2	-57.7	177.3	172.8	0	0	113.7	L56 L58 T59 N60 E171	L56-E169 PolarHBondContact O-N 3.46Å; L56-E169 VanDerWaalsContact O-N 3.09Å; L58-E169 PolarHBondContact O-N 3.41Å; T59-E169 WeakPolarHBondContact CA-OE1 3.49Å; T59-E169 WeakPolarHBondContact CB-OE1 3.4Å; T59-E169 HydrophobicContact CG2-CG 4.4Å; N60-E169 PolarHBondContact N-OE1 2.86Å; N60-E169 VanDerWaalsContact ND2-CD 3.26Å; N60-E169 PolarHBondContact ND2-OE2 2.89Å; E169-E171 VanDerWaalsContact C-N 3.32Å
170	G	89.1	Confident	86.2	Confident	39 Å²	39	64.3 Å²	64.3	40%	0.402	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-3.8	-178.2	0	0	0	0	0	115.5	L56 R168	L56-G170 PolarHBondContact O-N 2.76Å; R168-G170 PolarHBondContact O-N 3.08Å; R168-G170 VanDerWaalsContact O-N 3.09Å
171	E	92.1	Very high	89	Confident	135 Å²	135	58.9 Å²	58.9	63%	0.631	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.8	-179.6	-65.4	-168.1	166.4	0	0	112.5	I167 R168 E169	I167-E171 WeakPolarHBondContact CA-O 3.47Å; R168-E171 PolarHBondContact N-O 2.95Å; R168-E171 VanDerWaalsContact N-O 3.09Å; R168-E171 PolarHBondContact O-N 3.5Å; E169-E171 VanDerWaalsContact C-N 3.32Å
172	K	92.8	Very high	91.1	Very high	105 Å²	105	55 Å²	55	46%	0.457	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.9	173.8	-68.9	-177.1	178.5	-169.1	0	109.7	M165 V166 I167 E187	M165-K172 HydrophobicContact SD-CD 4.46Å; V166-K172 CarbonylContact O-C 3.58Å; V166-K172 WeakPolarHBondContact O-CA 3.31Å; I167-K172 HydrophobicContact CG1-CG 4.15Å; K172-E187 VanDerWaalsContact CE-OE2 3.24Å; K172-E187 WeakPolarHBondContact CE-OE2 3.44Å; K172-E187 IonicContact NZ-OE1 3.77Å; K172-E187 PolarHBondContact NZ-OE1 3.45Å; K172-E187 IonicContact NZ-OE2 2.9Å; K172-E187 PolarHBondContact NZ-OE2 2.99Å
173	L	92.6	Very high	92.2	Very high	54 Å²	54	51.7 Å²	51.7	28%	0.283	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.8	-178.9	-60.3	172.7	0	0	0	110	V166 R168 I175	V166-L173 HydrophobicContact CG2-CB 4.17Å; V166-L173 PolarHBondContact N-O 3.02Å; V166-L173 PolarHBondContact O-N 3.49Å; R168-L173 HydrophobicContact CB-CD1 4.34Å; L173-I175 HydrophobicContact CB-CG2 4.22Å
174	Q	91.9	Very high	92.6	Very high	129 Å²	129	45.6 Å²	45.6	60%	0.603	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	110.4	171.7	-166.4	167.1	11.7	0	0	108.7	Q163 A164	Q163-Q174 HydrophobicContact CB-CG 4Å; Q163-Q174 VanDerWaalsContact OE1-NE2 3.14Å; A164-Q174 WeakPolarHBondContact O-CA 3.5Å
175	I	92.9	Very high	92.9	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.138	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	164.9	-175.2	63.7	170	0	0	0	110.9	Q163 A164 V166 L173 L179 V180	Q163-I175 CarbonylContact C-O 3.59Å; Q163-I175 VanDerWaalsContact CA-O 3.25Å; Q163-I175 WeakPolarHBondContact CA-O 3.38Å; A164-I175 PolarHBondContact N-O 2.93Å; A164-I175 PolarHBondContact O-N 3.44Å; V166-I175 HydrophobicContact CB-CD1 4.35Å; V166-I175 HydrophobicContact CG1-CD1 3.75Å; V166-I175 HydrophobicContact CG1-CG1 4Å; V166-I175 HydrophobicContact CG2-CD1 3.63Å; V166-I175 HydrophobicContact CG2-CG1 3.9Å; V166-I175 HydrophobicContact CG2-CG2 4.33Å; L173-I175 HydrophobicContact CB-CG2 4.22Å; I175-L179 HydrophobicContact CD1-CB 4.08Å; I175-V180 HydrophobicContact CD1-CG2 4.17Å
176	N	91.1	Very high	92.9	Very high	56 Å²	56	43.2 Å²	43.2	30%	0.299	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.9	168.8	-172.7	-8.7	0	0	0	109.4	Q162 E178 L179	Q162-N176 PolarHBondContact O-OD1 3.27Å; N176-E178 PolarHBondContact ND2-OE2 2.72Å; N176-E178 PolarHBondContact O-N 3.07Å; N176-E178 VanDerWaalsContact O-N 3.14Å; N176-E178 PolarHBondContact OD1-N 2.78Å; N176-L179 HydrophobicContact CB-CD1 4.29Å; N176-L179 HydrophobicContact CB-CG 4.34Å; N176-L179 WeakPolarHBondContact O-CB 3.17Å; N176-L179 PolarHBondContact O-N 2.96Å
177	A	89.4	Confident	92.9	Very high	14 Å²	14	43.6 Å²	43.6	12%	0.116	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-56.8	-28.5	180	0	0	0	0	0	113	N73 Q162 L179 V180 P195	N73-A177 WeakPolarHBondContact CB-O 3.26Å; N73-A177 PolarHBondContact ND2-O 2.89Å; Q162-A177 HydrophobicContact CB-CB 4.35Å; Q162-A177 WeakPolarHBondContact O-CB 3.27Å; Q162-A177 PolarHBondContact O-N 2.95Å; A177-L179 PolarHBondContact O-N 2.85Å; A177-V180 WeakPolarHBondContact O-CB 3.28Å; A177-V180 WeakPolarHBondContact O-CG2 3.3Å; A177-V180 PolarHBondContact O-N 3.13Å; A177-P195 HydrophobicContact CB-CB 4.46Å
178	E	90.4	Very high	92.8	Very high	100 Å²	100	43.5 Å²	43.5	47%	0.467	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62.9	-22.9	175.5	-62.5	179.5	167.3	0	0	113.5	P72 N73 A74 N176	P72-E178 CarbonylContact C-O 3.54Å; P72-E178 WeakPolarHBondContact CA-O 3.31Å; P72-E178 HydrophobicContact CB-CB 4.39Å; P72-E178 WeakPolarHBondContact CB-O 3.47Å; N73-E178 PolarHBondContact N-O 3.1Å; A74-E178 HydrophobicContact CB-CG 4.36Å; N176-E178 PolarHBondContact ND2-OE2 2.72Å; N176-E178 PolarHBondContact O-N 3.07Å; N176-E178 VanDerWaalsContact O-N 3.14Å; N176-E178 PolarHBondContact OD1-N 2.78Å
179	L	93	Very high	92.6	Very high	78 Å²	78	46.3 Å²	46.3	41%	0.408	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-92.9	0.5	-178.6	-59.8	176.5	0	0	0	113.3	L67 R168 I175 N176 A177	L67-L179 HydrophobicContact CD2-CD2 3.71Å; R168-L179 PolarHBondContact NH2-O 3.28Å; I175-L179 HydrophobicContact CD1-CB 4.08Å; N176-L179 HydrophobicContact CB-CD1 4.29Å; N176-L179 HydrophobicContact CB-CG 4.34Å; N176-L179 WeakPolarHBondContact O-CB 3.17Å; N176-L179 PolarHBondContact O-N 2.96Å; A177-L179 PolarHBondContact O-N 2.85Å
180	V	94	Very high	92.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.			trans	-72.8	136.6	173.6	176.9	0	0	0	0	108.9	N73 A164 V166 I175 A177 V186 P195 A196 V253	N73-V180 HydrophobicContact CB-CB 4.35Å; N73-V180 WeakPolarHBondContact CB-O 3.49Å; A164-V180 HydrophobicContact CB-CG2 3.7Å; V166-V180 HydrophobicContact CG1-CG2 4.1Å; I175-V180 HydrophobicContact CD1-CG2 4.17Å; A177-V180 WeakPolarHBondContact O-CB 3.28Å; A177-V180 WeakPolarHBondContact O-CG2 3.3Å; A177-V180 PolarHBondContact O-N 3.13Å; V180-V186 HydrophobicContact CG1-CG2 4.43Å; V180-P195 HydrophobicContact CG2-CB 4.49Å; V180-A196 HydrophobicContact CG1-CB 4.27Å; V180-V253 HydrophobicContact CG1-CG2 3.69Å
181	V	95.1	Very high	91.7	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	24%	0.241	C	C	.	.			trans	-128.2	165.6	-176.2	-63.3	0	0	0	0	112.7	L58 A63 V66 L67 G183 D184 V253	L58-V181 HydrophobicContact CD1-CG2 4.22Å; A63-V181 HydrophobicContact CB-CG2 4Å; V66-V181 HydrophobicContact CB-CB 4.09Å; V66-V181 HydrophobicContact CB-CG1 4.44Å; V66-V181 HydrophobicContact CB-CG2 4.17Å; V66-V181 HydrophobicContact CG1-CB 3.75Å; V66-V181 HydrophobicContact CG1-CG1 4.35Å; V66-V181 HydrophobicContact CG1-CG2 4.22Å; L67-V181 HydrophobicContact CB-CG1 3.68Å; L67-V181 HydrophobicContact CD1-CG1 3.91Å; L67-V181 HydrophobicContact CG-CG1 4.39Å; V181-G183 PolarHBondContact O-N 3.04Å; V181-D184 WeakPolarHBondContact CG2-OD2 3.03Å; V181-D184 PolarHBondContact N-OD2 2.76Å; V181-D184 WeakPolarHBondContact O-CB 3.12Å; V181-D184 PolarHBondContact O-N 3.11Å; V181-V253 WeakPolarHBondContact O-CB 3.47Å; V181-V253 WeakPolarHBondContact O-CG1 3.49Å
182	L	93.7	Very high	91.3	Very high	30 Å²	30	41 Å²	41	16%	0.157	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	133	173.8	-73.9	178	0	0	0	111.1	V66 D70 D184 V253 I254 T256	V66-L182 HydrophobicContact CG1-CB 4.26Å; D70-L182 WeakPolarHBondContact OD2-CD1 3.42Å; L182-D184 VanDerWaalsContact C-N 3.34Å; L182-V253 HydrophobicContact CD2-CG1 4.38Å; L182-I254 WeakPolarHBondContact CD2-O 3.24Å; L182-T256 HydrophobicContact CD2-CG2 4.27Å; L182-T256 HydrophobicContact CG-CG2 4.32Å
183	G	92.6	Very high	90.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-5.5	-178.5	0	0	0	0	0	115.4	V52 L58 V181 V253	V52-G183 WeakPolarHBondContact CB-O 3.25Å; V52-G183 WeakPolarHBondContact CG2-O 3.43Å; L58-G183 VanDerWaalsContact CD1-C 3.48Å; V181-G183 PolarHBondContact O-N 3.04Å; G183-V253 PolarHBondContact N-O 2.94Å
184	D	94.6	Very high	90.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.			trans	-60.5	145.2	173.9	-89.4	-32	0	0	0	111.2	R168 V181 L182 V186 I252 V253	R168-D184 IonicContact CZ-OD1 3.45Å; R168-D184 IonicContact CZ-OD2 2.65Å; R168-D184 IonicContact NE-OD1 3.01Å; R168-D184 PolarHBondContact NE-OD1 3.49Å; R168-D184 IonicContact NE-OD2 3.44Å; R168-D184 IonicContact NH2-OD1 3.3Å; R168-D184 PolarHBondContact NH2-OD1 3.22Å; R168-D184 IonicContact NH2-OD2 2.94Å; R168-D184 PolarHBondContact NH2-OD2 3.15Å; V181-D184 WeakPolarHBondContact CG2-OD2 3.03Å; V181-D184 PolarHBondContact N-OD2 2.76Å; V181-D184 WeakPolarHBondContact O-CB 3.12Å; V181-D184 PolarHBondContact O-N 3.11Å; L182-D184 VanDerWaalsContact C-N 3.34Å; D184-V186 HydrophobicContact CB-CG2 4.45Å; D184-I252 CarbonylContact O-C 3.51Å; D184-I252 WeakPolarHBondContact O-CA 3.33Å; D184-V253 HydrophobicContact CB-CG2 3.89Å; D184-V253 WeakPolarHBondContact O-CG2 3.47Å; D184-V253 PolarHBondContact O-N 3.14Å
185	L	95.2	Very high	90.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117	169.6	-179.1	60.6	0	0	0	109	L54 V166 I167 I201 R250	L54-L185 WeakPolarHBondContact O-CD2 3.13Å; V166-L185 CarbonylContact C-O 3.39Å; V166-L185 WeakPolarHBondContact CA-O 3.3Å; I167-L185 HydrophobicContact CB-CB 4.22Å; I167-L185 HydrophobicContact CB-CD2 4.01Å; I167-L185 HydrophobicContact CB-CG 4.12Å; I167-L185 HydrophobicContact CD1-CD2 3.95Å; I167-L185 HydrophobicContact CD1-CG 4.17Å; I167-L185 HydrophobicContact CG1-CD2 4.48Å; I167-L185 HydrophobicContact CG1-CG 4.45Å; I167-L185 HydrophobicContact CG2-CD2 4.24Å; I167-L185 PolarHBondContact N-O 3.15Å; L185-I201 HydrophobicContact CD1-CD1 3.55Å; L185-I201 HydrophobicContact CD1-CG1 4.34Å; L185-R250 HydrophobicContact CD1-CB 4.28Å
186	V	95.1	Very high	90.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.5	-175.4	-179.6	0	0	0	0	109.9	V166 V180 D184 V188 P195 L198 R250 G251 V253	V166-V186 HydrophobicContact CG1-CG2 4.24Å; V180-V186 HydrophobicContact CG1-CG2 4.43Å; D184-V186 HydrophobicContact CB-CG2 4.45Å; V186-V188 HydrophobicContact CG1-CG1 4.15Å; V186-P195 HydrophobicContact CG1-CG 3.68Å; V186-L198 HydrophobicContact CB-CD1 4.01Å; V186-L198 HydrophobicContact CB-CD2 4Å; V186-L198 HydrophobicContact CG1-CD1 3.99Å; V186-L198 HydrophobicContact CG2-CD2 3.92Å; V186-R250 VanDerWaalsContact O-CA 3.25Å; V186-R250 WeakPolarHBondContact O-CA 3.41Å; V186-G251 PolarHBondContact N-O 3.47Å; V186-G251 PolarHBondContact O-N 2.85Å; V186-V253 HydrophobicContact CG2-CG2 3.52Å
187	E	94.5	Very high	90.9	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.7	169.9	-171.4	173.4	102.4	0	0	109.3	M165 K172 K189 A249 R250	M165-E187 PolarHBondContact O-N 2.85Å; K172-E187 VanDerWaalsContact CE-OE2 3.24Å; K172-E187 WeakPolarHBondContact CE-OE2 3.44Å; K172-E187 IonicContact NZ-OE1 3.77Å; K172-E187 PolarHBondContact NZ-OE1 3.45Å; K172-E187 IonicContact NZ-OE2 2.9Å; K172-E187 PolarHBondContact NZ-OE2 2.99Å; E187-K189 WeakPolarHBondContact OE1-CE 3.43Å; E187-K189 IonicContact OE1-NZ 3.62Å; E187-A249 WeakPolarHBondContact CA-O 3.33Å; E187-R250 HydrophobicContact CB-CG 4.32Å; E187-R250 HydrophobicContact CG-CG 4.18Å; E187-R250 IonicContact OE2-CZ 2.72Å; E187-R250 IonicContact OE2-NE 2.82Å; E187-R250 PolarHBondContact OE2-NE 3.37Å; E187-R250 IonicContact OE2-NH2 3.74Å; E187-R250 PolarHBondContact OE2-NH2 3.09Å
188	V	92.6	Very high	91.1	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.024	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.5	175.5	-65.1	0	0	0	0	109.9	V186 V194 L198 N248 A249	V186-V188 HydrophobicContact CG1-CG1 4.15Å; V188-V194 HydrophobicContact CG1-CG2 4.46Å; V188-L198 HydrophobicContact CG1-CD1 4.19Å; V188-N248 WeakPolarHBondContact O-CA 3.35Å; V188-A249 HydrophobicContact CG2-CB 3.92Å; V188-A249 PolarHBondContact N-O 3.41Å; V188-A249 PolarHBondContact O-N 3.06Å
189	K	89.8	Confident	91.3	Very high	81 Å²	81	23.4 Å²	23.4	35%	0.352	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	160	178.3	-59.8	176	-173.5	167.8	0	110.6	E187 G191 D192 C244 N248	E187-K189 WeakPolarHBondContact OE1-CE 3.43Å; E187-K189 IonicContact OE1-NZ 3.62Å; K189-G191 PolarHBondContact O-N 2.99Å; K189-D192 PolarHBondContact N-OD2 3.3Å; K189-D192 VanDerWaalsContact O-CB 3.28Å; K189-D192 WeakPolarHBondContact O-CB 3.23Å; K189-D192 PolarHBondContact O-N 3.35Å; K189-C244 VanDerWaalsContact C-SG 3.54Å; K189-C244 WeakPolarHBondContact O-CB 3.39Å; K189-N248 HydrophobicContact CG-CB 4.33Å
190	G	83.1	Confident	91.5	Very high	40 Å²	40	19.7 Å²	19.7	41%	0.412	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	121	174.2	0	0	0	0	0	112	G247	G190-G247 PolarHBondContact N-O 2.93Å
191	G	79	Confident	91.5	Very high	63 Å²	63	21 Å²	21	65%	0.649	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.6	-21.5	-173	0	0	0	0	0	114.4	K189 C244	K189-G191 PolarHBondContact O-N 2.99Å; G191-C244 PolarHBondContact N-O 2.83Å
192	D	84.2	Confident	91.4	Very high	68 Å²	68	23.3 Å²	23.3	36%	0.364	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-81.9	147.5	-179.5	-61.4	-25.9	0	0	0	111.4	K189 C244	K189-D192 PolarHBondContact N-OD2 3.3Å; K189-D192 VanDerWaalsContact O-CB 3.28Å; K189-D192 WeakPolarHBondContact O-CB 3.23Å; K189-D192 PolarHBondContact O-N 3.35Å; D192-C244 PolarHBondContact O-N 2.9Å
193	R	85.2	Confident	91.3	Very high	97 Å²	97	23.9 Å²	23.9	37%	0.366	15%	0.147	S	C	.	.	B	Isolated β-bridge	trans	-88.6	139.9	167.7	-161.7	174.5	-171.8	-167.4	3.5	109.8	Q162 P195 S241 T242 N243	Q162-R193 VanDerWaalsContact NE2-CD 3.29Å; R193-P195 WeakPolarHBondContact O-CD 3.32Å; R193-S241 PolarHBondContact NE-O 3.34Å; R193-S241 PolarHBondContact NH2-OG 3.19Å; R193-T242 WeakPolarHBondContact CA-O 3.44Å; R193-T242 VanDerWaalsContact CG-O 3.3Å; R193-T242 WeakPolarHBondContact CG-O 3.35Å; R193-N243 WeakPolarHBondContact CG-OD1 3.16Å
194	V	90.6	Very high	91.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-71.2	119.9	179.8	179.1	0	0	0	0	109	V188 A196 L198 C238 F239 S241 T242	V188-V194 HydrophobicContact CG1-CG2 4.46Å; V194-A196 WeakPolarHBondContact CG1-O 3.35Å; V194-L198 HydrophobicContact CG1-CD1 3.94Å; V194-L198 HydrophobicContact CG1-CG 4.06Å; V194-C238 HydrophobicContact CG1-CB 3.95Å; V194-C238 HydrophobicContact CG2-CB 4.2Å; V194-F239 VanDerWaalsContact CB-O 3.25Å; V194-F239 WeakPolarHBondContact CB-O 3.49Å; V194-F239 VanDerWaalsContact CG1-O 3.24Å; V194-F239 WeakPolarHBondContact CG1-O 3.45Å; V194-S241 PolarHBondContact O-N 2.89Å; V194-T242 WeakPolarHBondContact CB-O 3.46Å; V194-T242 WeakPolarHBondContact CG2-O 3.39Å; V194-T242 PolarHBondContact N-O 2.89Å
195	P	90.9	Very high	90.6	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.039	20%	0.202	C	C	.	.			trans	-81.6	-18.1	-166.6	31.3	-37	0	0	0	114.8	N73 A164 A177 V180 V186 R193 F240	N73-P195 PolarHBondContact ND2-O 2.89Å; A164-P195 HydrophobicContact CB-CB 3.67Å; A164-P195 HydrophobicContact CB-CG 3.88Å; A177-P195 HydrophobicContact CB-CB 4.46Å; V180-P195 HydrophobicContact CG2-CB 4.49Å; V186-P195 HydrophobicContact CG1-CG 3.68Å; R193-P195 WeakPolarHBondContact O-CD 3.32Å; P195-F240 VanDerWaalsContact O-CD2 3.27Å; P195-F240 WeakPolarHBondContact O-CD2 3.46Å
196	A	91.6	Very high	90.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-159.7	173.6	-178.8	0	0	0	0	0	109	V180 V194 L198 V253 A255	V180-A196 HydrophobicContact CG1-CB 4.27Å; V194-A196 WeakPolarHBondContact CG1-O 3.35Å; A196-L198 HydrophobicContact CB-CD2 4.44Å; A196-L198 WeakPolarHBondContact O-CG 3.48Å; A196-L198 PolarHBondContact O-N 3.17Å; A196-V253 HydrophobicContact CB-CG1 3.76Å; A196-V253 HydrophobicContact CB-CG2 4.32Å; A196-A255 WeakPolarHBondContact CB-O 3.31Å
197	D	93.4	Very high	89.9	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	126.1	172.3	-67.9	-16	0	0	0	109.2	C238 F239 F240 V253 I254 A255 T260 V261	D197-C238 CarbonylContact C-O 3.57Å; D197-C238 WeakPolarHBondContact CA-O 3.34Å; D197-F239 WeakPolarHBondContact OD1-CA 3.41Å; D197-F240 PolarHBondContact OD1-N 3.11Å; D197-V253 WeakPolarHBondContact O-CA 3.47Å; D197-I254 HydrophobicContact CB-CG1 4.02Å; D197-I254 WeakPolarHBondContact O-CG1 3.48Å; D197-I254 PolarHBondContact O-N 2.81Å; D197-A255 HydrophobicContact CB-CB 3.99Å; D197-A255 PolarHBondContact N-O 2.91Å; D197-T260 HydrophobicContact CB-CG2 4.49Å; D197-T260 WeakPolarHBondContact OD2-CA 3.28Å; D197-T260 WeakPolarHBondContact OD2-CB 3.44Å; D197-V261 PolarHBondContact OD2-N 3.49Å
198	L	94.8	Very high	89.6	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.6	-173.6	-50.4	-180	0	0	0	111.6	V186 V188 V194 A196 I237 C238 I252 V253	V186-L198 HydrophobicContact CB-CD1 4.01Å; V186-L198 HydrophobicContact CB-CD2 4Å; V186-L198 HydrophobicContact CG1-CD1 3.99Å; V186-L198 HydrophobicContact CG2-CD2 3.92Å; V188-L198 HydrophobicContact CG1-CD1 4.19Å; V194-L198 HydrophobicContact CG1-CD1 3.94Å; V194-L198 HydrophobicContact CG1-CG 4.06Å; A196-L198 HydrophobicContact CB-CD2 4.44Å; A196-L198 WeakPolarHBondContact O-CG 3.48Å; A196-L198 PolarHBondContact O-N 3.17Å; L198-I237 CarbonylContact O-C 3.55Å; L198-I237 VanDerWaalsContact O-CA 3.27Å; L198-I237 WeakPolarHBondContact O-CA 3.49Å; L198-C238 HydrophobicContact CB-CB 4.27Å; L198-C238 PolarHBondContact N-O 3.42Å; L198-C238 PolarHBondContact O-N 2.88Å; L198-I252 CarbonylContact C-O 3.59Å; L198-I252 VanDerWaalsContact CA-O 3.31Å; L198-I252 WeakPolarHBondContact CA-O 3.3Å; L198-V253 HydrophobicContact CD2-CB 4.24Å; L198-V253 HydrophobicContact CD2-CG2 3.55Å
199	R	95.3	Very high	89.2	Confident	9 Å²	9	34.4 Å²	34.4	3%	0.034	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.2	162.6	178.2	70.9	-178.2	83.3	3.6	109.4	D38 V46 I201 P224 N236 G251 I252 I254	D38-R199 WeakPolarHBondContact O-CD 3.46Å; D38-R199 PolarHBondContact O-NE 3.43Å; V46-R199 HydrophobicContact CG1-CG 4.33Å; V46-R199 HydrophobicContact CG2-CG 4.29Å; R199-I201 PolarHBondContact O-N 3.49Å; R199-P224 PolarHBondContact NH1-O 3.33Å; R199-P224 VanDerWaalsContact NH1-O 3.13Å; R199-P224 PolarHBondContact NH2-O 2.98Å; R199-N236 PolarHBondContact NH1-ND2 2.97Å; R199-N236 PolarHBondContact NH1-O 3.48Å; R199-N236 PolarHBondContact NH2-ND2 3.16Å; R199-G251 CarbonylContact O-C 3.6Å; R199-G251 WeakPolarHBondContact O-CA 3.38Å; R199-I252 PolarHBondContact N-O 3Å; R199-I252 PolarHBondContact O-N 2.95Å; R199-I254 HydrophobicContact CB-CG2 3.71Å
200	V	95.4	Very high	88.9	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	123.5	-177.4	-178.4	0	0	0	0	110.7	R222 P224 N236 C238 A249	V200-R222 HydrophobicContact CG2-CB 4.48Å; V200-P224 WeakPolarHBondContact O-CA 3.34Å; V200-N236 PolarHBondContact N-O 3.49Å; V200-C238 VanDerWaalsContact CG2-SG 3.57Å; V200-A249 HydrophobicContact CG1-CB 4.45Å
201	I	94.6	Very high	88.4	Confident	28 Å²	28	29.8 Å²	29.8	14%	0.144	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-26.9	177.9	66.4	169.2	0	0	0	112.5	V43 L185 R199 P224 R250 I252	V43-I201 HydrophobicContact CG1-CB 3.95Å; V43-I201 HydrophobicContact CG1-CG2 3.63Å; L185-I201 HydrophobicContact CD1-CD1 3.55Å; L185-I201 HydrophobicContact CD1-CG1 4.34Å; R199-I201 PolarHBondContact O-N 3.49Å; I201-P224 WeakPolarHBondContact O-CB 3.45Å; I201-P224 WeakPolarHBondContact O-CG 3.2Å; I201-R250 HydrophobicContact CG1-CB 4.16Å; I201-R250 WeakPolarHBondContact CG1-O 3.47Å; I201-R250 PolarHBondContact N-O 3.37Å; I201-I252 HydrophobicContact CG2-CD1 3.91Å; I201-I252 HydrophobicContact CG2-CG1 4.02Å
202	S	92.7	Very high	88	Confident	51 Å²	51	28 Å²	28	36%	0.357	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139	175	66.8	0	0	0	0	109.7	A249 R250	S202-A249 CarbonylContact O-C 3.55Å; S202-A249 WeakPolarHBondContact O-CA 3.49Å; S202-R250 PolarHBondContact N-O 2.74Å; S202-R250 PolarHBondContact O-N 3.29Å; S202-R250 WeakPolarHBondContact OG-CB 3.48Å
203	S	92.9	Very high	87.6	Confident	41 Å²	41	25.3 Å²	25.3	29%	0.287	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.5	173.3	65.5	0	0	0	0	111.6	R222 N248	S203-R222 WeakPolarHBondContact CB-O 3.39Å; S203-R222 PolarHBondContact OG-O 3.32Å; S203-N248 WeakPolarHBondContact CA-O 3.38Å
204	S	89.1	Confident	87.2	Confident	81 Å²	81	21.9 Å²	21.9	57%	0.566	15%	0.145	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129	105.7	169.5	-165.9	0	0	0	0	109	C206 G247 N248	S204-C206 PolarHBondContact O-N 3.36Å; S204-G247 WeakPolarHBondContact O-CA 3.3Å; S204-N248 WeakPolarHBondContact CB-OD1 3.45Å; S204-N248 PolarHBondContact N-O 3.44Å; S204-N248 PolarHBondContact O-N 3.25Å
205	G	83.3	Confident	86.2	Confident	57 Å²	57	22.1 Å²	22.1	59%	0.588	15%	0.147	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57	21.4	-179.5	0	0	0	0	0	114.7	K207	G205-K207 PolarHBondContact O-N 3.43Å
206	C	88.2	Confident	85.4	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.1	-173.9	-174.6	0	0	0	0	111.3	S204 R222 E246 N248 A249	S204-C206 PolarHBondContact O-N 3.36Å; C206-R222 HydrophobicContact CB-CB 4.2Å; C206-R222 PolarHBondContact O-N 3.39Å; C206-E246 WeakPolarHBondContact CA-O 3.35Å; C206-N248 WeakPolarHBondContact CB-O 3.48Å; C206-A249 HydrophobicContact CB-CB 3.91Å
207	K	87.6	Confident	84.1	Confident	56 Å²	56	24.5 Å²	24.5	24%	0.243	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.7	167	-58	-171.1	-170.6	148.8	0	110.4	G205 P219 Q220 V245 E246	G205-K207 PolarHBondContact O-N 3.43Å; K207-P219 HydrophobicContact CB-CB 3.82Å; K207-P219 HydrophobicContact CD-CB 4.04Å; K207-Q220 WeakPolarHBondContact CA-O 3.44Å; K207-V245 PolarHBondContact O-N 2.87Å; K207-E246 HydrophobicContact CB-CG 3.99Å; K207-E246 HydrophobicContact CD-CG 4.2Å; K207-E246 WeakPolarHBondContact CD-OE1 3.25Å; K207-E246 WeakPolarHBondContact CE-OE1 3.45Å; K207-E246 HydrophobicContact CG-CG 4.06Å; K207-E246 PolarHBondContact N-O 2.93Å; K207-E246 IonicContact NZ-OE1 2.91Å; K207-E246 PolarHBondContact NZ-OE1 2.87Å
208	V	87.4	Confident	83.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.6	178.2	-62.9	0	0	0	0	110.6	N210 P219 Q220 R222 N243	V208-N210 WeakPolarHBondContact CG2-OD1 3.35Å; V208-P219 CarbonylContact O-C 3.52Å; V208-P219 WeakPolarHBondContact O-CA 3.1Å; V208-Q220 PolarHBondContact N-O 3.13Å; V208-Q220 PolarHBondContact O-N 3.4Å; V208-R222 HydrophobicContact CB-CG 4.32Å; V208-R222 HydrophobicContact CG1-CG 3.8Å; V208-R222 VanDerWaalsContact CG2-CD 3.49Å; V208-R222 HydrophobicContact CG2-CG 3.65Å; V208-R222 VanDerWaalsContact CG2-NE 3.29Å; V208-N243 CarbonylContact C-O 3.58Å; V208-N243 VanDerWaalsContact CA-O 3.24Å; V208-N243 WeakPolarHBondContact CA-O 3.37Å
209	D	83.3	Confident	82.6	Confident	40 Å²	40	30.2 Å²	30.2	21%	0.214	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.6	171.8	178.6	3	0	0	0	109.2	S211 T242 N243 V245	D209-S211 VanDerWaalsContact CG-OG 3.31Å; D209-S211 WeakPolarHBondContact OD1-CB 3.35Å; D209-S211 PolarHBondContact OD1-N 2.71Å; D209-S211 PolarHBondContact OD1-OG 3.31Å; D209-S211 PolarHBondContact OD2-OG 3.45Å; D209-T242 VanDerWaalsContact O-CB 3.23Å; D209-T242 WeakPolarHBondContact O-CB 3.32Å; D209-N243 PolarHBondContact N-O 3.47Å; D209-V245 HydrophobicContact CB-CG2 3.69Å
210	N	83.7	Confident	82.1	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.021	20%	0.202	C	C	.	.			trans	-95	12.2	179.9	-75	-11.3	0	0	0	112.8	V208 S212 L213 T214 T242	V208-N210 WeakPolarHBondContact CG2-OD1 3.35Å; N210-S212 PolarHBondContact O-N 3.14Å; N210-L213 PolarHBondContact O-N 2.93Å; N210-T214 HydrophobicContact CB-CG2 4.35Å; N210-T214 PolarHBondContact O-N 2.91Å; N210-T214 PolarHBondContact O-OG1 3.21Å; N210-T242 WeakPolarHBondContact OD1-CG2 3.41Å
211	S	74.3	Confident	81.8	Confident	20 Å²	20	35.2 Å²	35.2	14%	0.14	22%	0.218	C	C	.	.	H	α-helix	trans	-50.1	-35.9	-178	55	0	0	0	0	113.5	D209 L213 G215 E216	D209-S211 VanDerWaalsContact CG-OG 3.31Å; D209-S211 WeakPolarHBondContact OD1-CB 3.35Å; D209-S211 PolarHBondContact OD1-N 2.71Å; D209-S211 PolarHBondContact OD1-OG 3.31Å; D209-S211 PolarHBondContact OD2-OG 3.45Å; S211-L213 VanDerWaalsContact C-N 3.27Å; S211-L213 PolarHBondContact O-N 3.22Å; S211-G215 WeakPolarHBondContact O-CA 3.31Å; S211-G215 PolarHBondContact O-N 3.49Å; S211-E216 WeakPolarHBondContact CA-O 3.39Å; S211-E216 PolarHBondContact N-O 3.34Å; S211-E216 VanDerWaalsContact N-O 3.11Å
212	S	70.4	Confident	81.7	Confident	24 Å²	24	34.1 Å²	34.1	17%	0.168	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-29.4	176.7	-65.7	0	0	0	0	114.3	N210 V715 N716	N210-S212 PolarHBondContact O-N 3.14Å; S212-V715 WeakPolarHBondContact O-CB 3.49Å; S212-V715 PolarHBondContact O-N 2.71Å; S212-N716 PolarHBondContact O-N 3.36Å
213	L	76	Confident	81.6	Confident	12 Å²	12	32.7 Å²	32.7	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-100.3	-43.4	-179.7	-79.4	88.4	0	0	0	112.7	N210 S211 L232 F239 T242 V261 M262 N716	N210-L213 PolarHBondContact O-N 2.93Å; S211-L213 VanDerWaalsContact C-N 3.27Å; S211-L213 PolarHBondContact O-N 3.22Å; L213-L232 HydrophobicContact CD2-CD2 4.32Å; L213-F239 HydrophobicContact CD1-CB 4.01Å; L213-F239 HydrophobicContact CD2-CB 3.97Å; L213-F239 HydrophobicContact CD2-CD1 4.08Å; L213-F239 HydrophobicContact CD2-CD2 4.09Å; L213-F239 HydrophobicContact CD2-CG 3.77Å; L213-T242 HydrophobicContact CD1-CG2 3.51Å; L213-V261 HydrophobicContact CD2-CB 4.29Å; L213-V261 HydrophobicContact CD2-CG1 3.7Å; L213-M262 HydrophobicContact CD1-CE 4.3Å; L213-M262 HydrophobicContact CD1-CG 3.72Å; L213-M262 HydrophobicContact CD1-SD 3.67Å; L213-M262 HydrophobicContact CD2-CG 4.35Å; L213-M262 HydrophobicContact CD2-SD 4.49Å; L213-M262 HydrophobicContact CG-CG 3.99Å; L213-M262 HydrophobicContact CG-SD 3.64Å; L213-N716 WeakPolarHBondContact O-CB 3.4Å
214	T	76.3	Confident	81.6	Confident	26 Å²	26	32.7 Å²	32.7	16%	0.16	20%	0.202	C	C	.	.	H	α-helix	trans	-100.2	-15.8	-172.9	60	0	0	0	0	112.7	N210 E216 G612	N210-T214 HydrophobicContact CB-CG2 4.35Å; N210-T214 PolarHBondContact O-N 2.91Å; N210-T214 PolarHBondContact O-OG1 3.21Å; T214-E216 PolarHBondContact O-N 3.05Å; T214-E216 PolarHBondContact OG1-N 3.39Å; T214-E216 VanDerWaalsContact OG1-N 3.16Å; T214-G612 VanDerWaalsContact O-CA 3.32Å; T214-G612 WeakPolarHBondContact O-CA 3.27Å
215	G	68.8	Low	81.7	Confident	4 Å²	4	35.8 Å²	35.8	4%	0.041	21%	0.207	C	C	.	.	S	Bend	trans	70.7	9.5	-166.5	0	0	0	0	0	113	S211 T373	S211-G215 WeakPolarHBondContact O-CA 3.31Å; S211-G215 PolarHBondContact O-N 3.49Å; G215-T373 WeakPolarHBondContact O-CB 3.4Å; G215-T373 VanDerWaalsContact O-CG2 3.22Å; G215-T373 WeakPolarHBondContact O-CG2 3.2Å; G215-T373 PolarHBondContact O-OG1 3.28Å
216	E	73.5	Confident	82	Confident	19 Å²	19	36.8 Å²	36.8	9%	0.089	20%	0.198	C	C	.	.			trans	-105.5	122.8	178.3	-63.7	-179.8	154.4	0	0	110.7	S211 T214 E218 D613 R686	S211-E216 WeakPolarHBondContact CA-O 3.39Å; S211-E216 PolarHBondContact N-O 3.34Å; S211-E216 VanDerWaalsContact N-O 3.11Å; T214-E216 PolarHBondContact O-N 3.05Å; T214-E216 PolarHBondContact OG1-N 3.39Å; T214-E216 VanDerWaalsContact OG1-N 3.16Å; E216-E218 VanDerWaalsContact C-N 3.33Å; E216-D613 WeakPolarHBondContact OE1-CA 3.34Å; E216-R686 IonicContact OE1-CZ 3.76Å; E216-R686 IonicContact OE1-NE 3.68Å; E216-R686 IonicContact OE1-NH1 3.48Å; E216-R686 PolarHBondContact OE1-NH1 3.36Å; E216-R686 IonicContact OE1-NH2 2.74Å; E216-R686 PolarHBondContact OE1-NH2 3.32Å; E216-R686 IonicContact OE2-CZ 2.81Å; E216-R686 IonicContact OE2-NH1 2.79Å; E216-R686 PolarHBondContact OE2-NH1 2.99Å; E216-R686 IonicContact OE2-NH2 3.31Å; E216-R686 PolarHBondContact OE2-NH2 2.87Å
217	S	65.6	Low	82	Confident	37 Å²	37	39.8 Å²	39.8	26%	0.259	22%	0.217	S	C	.	.			trans	-91.7	4.7	179.9	-54.2	0	0	0	0	113.6	P219 N379	S217-P219 VanDerWaalsContact O-CD 3.3Å; S217-P219 WeakPolarHBondContact O-CD 3.28Å; S217-N379 WeakPolarHBondContact CB-OD1 3.44Å; S217-N379 PolarHBondContact OG-ND2 2.82Å; S217-N379 PolarHBondContact OG-OD1 3.22Å
218	E	74.4	Confident	82	Confident	99 Å²	99	40.9 Å²	40.9	46%	0.463	22%	0.223	S	C	.	.	S	Bend	trans	-70.1	121.8	170.4	-175.3	171.9	-158.9	0	0	109.7	E216 Q220 R545	E216-E218 VanDerWaalsContact C-N 3.33Å; E218-Q220 PolarHBondContact O-N 3.13Å; E218-Q220 VanDerWaalsContact O-N 3.15Å; E218-Q220 PolarHBondContact O-NE2 3.41Å; E218-R545 IonicContact OE1-CZ 3.28Å; E218-R545 IonicContact OE1-NH1 2.65Å; E218-R545 PolarHBondContact OE1-NH1 3.07Å
219	P	80.9	Confident	81.8	Confident	24 Å²	24	46.6 Å²	46.6	16%	0.156	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-62.4	118.8	179.4	-23.3	34.5	0	0	0	111.7	K207 V208 S217 V245	K207-P219 HydrophobicContact CB-CB 3.82Å; K207-P219 HydrophobicContact CD-CB 4.04Å; V208-P219 CarbonylContact O-C 3.52Å; V208-P219 WeakPolarHBondContact O-CA 3.1Å; S217-P219 VanDerWaalsContact O-CD 3.3Å; S217-P219 WeakPolarHBondContact O-CD 3.28Å; P219-V245 HydrophobicContact CB-CB 4.3Å; P219-V245 HydrophobicContact CB-CG1 4.5Å; P219-V245 HydrophobicContact CB-CG2 4.09Å; P219-V245 HydrophobicContact CG-CB 4.45Å; P219-V245 HydrophobicContact CG-CG1 4.19Å; P219-V245 HydrophobicContact CG-CG2 4.17Å
220	Q	85.7	Confident	81.7	Confident	56 Å²	56	46.7 Å²	46.7	26%	0.262	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129	-177.6	-62.1	-61.1	-42.4	0	0	111.3	K207 V208 E218 R222	K207-Q220 WeakPolarHBondContact CA-O 3.44Å; V208-Q220 PolarHBondContact N-O 3.13Å; V208-Q220 PolarHBondContact O-N 3.4Å; E218-Q220 PolarHBondContact O-N 3.13Å; E218-Q220 VanDerWaalsContact O-N 3.15Å; E218-Q220 PolarHBondContact O-NE2 3.41Å; Q220-R222 PolarHBondContact O-NE 3.49Å
221	T	89.3	Confident	81.9	Confident	59 Å²	59	46.9 Å²	46.9	36%	0.362	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.3	-179.8	-56.5	0	0	0	0	111.5	R235	T221-R235 WeakPolarHBondContact O-CG 3.36Å
222	R	92.2	Very high	82.3	Confident	6 Å²	6	48.1 Å²	48.1	2%	0.023	26%	0.256	C	S	.	.			trans	-113.9	132.2	177.8	-58.6	-66.7	110.2	-174.2	0.1	111.4	V200 S203 C206 V208 Q220 T234 R235 I237	V200-R222 HydrophobicContact CG2-CB 4.48Å; S203-R222 WeakPolarHBondContact CB-O 3.39Å; S203-R222 PolarHBondContact OG-O 3.32Å; C206-R222 HydrophobicContact CB-CB 4.2Å; C206-R222 PolarHBondContact O-N 3.39Å; V208-R222 HydrophobicContact CB-CG 4.32Å; V208-R222 HydrophobicContact CG1-CG 3.8Å; V208-R222 VanDerWaalsContact CG2-CD 3.49Å; V208-R222 HydrophobicContact CG2-CG 3.65Å; V208-R222 VanDerWaalsContact CG2-NE 3.29Å; Q220-R222 PolarHBondContact O-NE 3.49Å; R222-T234 PolarHBondContact NH1-O 2.96Å; R222-R235 CarbonylContact C-O 3.32Å; R222-R235 WeakPolarHBondContact CA-O 3.27Å; R222-R235 WeakPolarHBondContact CD-O 3.34Å; R222-I237 VanDerWaalsContact CD-O 3.29Å; R222-I237 WeakPolarHBondContact CD-O 3.4Å; R222-I237 PolarHBondContact NH1-O 3.4Å
223	S	91.7	Very high	82.9	Confident	21 Å²	21	51.2 Å²	51.2	15%	0.147	27%	0.268	C	S	.	.			trans	-140.1	154.1	-178.8	57	0	0	0	0	111.3	E225 R235 N236	S223-E225 PolarHBondContact O-N 2.82Å; S223-R235 PolarHBondContact N-O 3.2Å; S223-R235 CarbonylContact O-C 3.56Å; S223-R235 VanDerWaalsContact OG-CB 3.25Å; S223-R235 WeakPolarHBondContact OG-CB 3.23Å; S223-N236 WeakPolarHBondContact O-CA 3.31Å; S223-N236 WeakPolarHBondContact O-CB 3.2Å
224	P	92.4	Very high	83.6	Confident	41 Å²	41	50.7 Å²	50.7	27%	0.266	27%	0.265	S	S	.	.	S	Bend	trans	-67.2	-23.6	178	-21.6	34.8	0	0	0	114.5	R199 V200 I201	R199-P224 PolarHBondContact NH1-O 3.33Å; R199-P224 VanDerWaalsContact NH1-O 3.13Å; R199-P224 PolarHBondContact NH2-O 2.98Å; V200-P224 WeakPolarHBondContact O-CA 3.34Å; I201-P224 WeakPolarHBondContact O-CB 3.45Å; I201-P224 WeakPolarHBondContact O-CG 3.2Å
225	E	89.9	Confident	84.3	Confident	146 Å²	146	55.1 Å²	55.1	68%	0.682	28%	0.279	S	S	*	.	S	Bend	trans	-75.6	140	-175.8	-62.6	178.6	-176.9	0	0	113.2	S223 T227 N236	S223-E225 PolarHBondContact O-N 2.82Å; E225-T227 PolarHBondContact O-N 3.37Å; E225-N236 WeakPolarHBondContact O-CB 3.44Å
226	L	91.4	Very high	85.5	Confident	77 Å²	77	55 Å²	55	40%	0.403	28%	0.277	S	S	.	.			trans	-67.7	122.4	171.4	175.7	69.1	0	0	0	109.9	H228 N236	L226-H228 VanDerWaalsContact CD1-O 3.27Å; L226-H228 WeakPolarHBondContact CD1-O 3.26Å; L226-N236 WeakPolarHBondContact CA-ND2 3.22Å
227	T	87.6	Confident	86.5	Confident	65 Å²	65	54.1 Å²	54.1	40%	0.399	27%	0.273	S	S	.	.			trans	-114.8	-19.4	-179.9	59.8	0	0	0	0	114	E225 T234 R235	E225-T227 PolarHBondContact O-N 3.37Å; T227-T234 PolarHBondContact N-OG1 2.92Å; T227-T234 WeakPolarHBondContact OG1-CA 3.41Å; T227-R235 HydrophobicContact CG2-CB 4.08Å; T227-R235 HydrophobicContact CG2-CG 4.02Å; T227-R235 PolarHBondContact OG1-N 3.42Å
228	H	86.4	Confident	87.8	Confident	79 Å²	79	52.4 Å²	52.4	37%	0.366	26%	0.261	S	S	.	.			trans	-152.1	151.2	-177.2	-161.1	-103	0	0	0	111.8	L226 N230 E233	L226-H228 VanDerWaalsContact CD1-O 3.27Å; L226-H228 WeakPolarHBondContact CD1-O 3.26Å; H228-N230 VanDerWaalsContact ND1-CB 3.3Å; H228-N230 WeakPolarHBondContact ND1-CB 3.36Å; H228-N230 PolarHBondContact ND1-N 3.05Å; H228-E233 HydrophobicContact CB-CB 4.16Å; H228-E233 IonicContact CD2-OE2 2.94Å; H228-E233 IonicContact CE1-OE1 2.65Å; H228-E233 IonicContact CE1-OE2 3.61Å; H228-E233 PolarHBondContact CE1-OE2 3.4Å; H228-E233 IonicContact CG-OE2 3.43Å; H228-E233 IonicContact ND1-OE2 3.97Å; H228-E233 PolarHBondContact ND1-OE2 3.48Å; H228-E233 IonicContact NE2-OE2 3.64Å
229	E	83.5	Confident	88.5	Confident	119 Å²	119	47.8 Å²	47.8	56%	0.556	24%	0.24	S	C	*	.	S	Bend	trans	-69	-38.9	178.5	-76.5	-66.8	144.5	0	0	112.2	H39 K40	H39-E229 PolarHBondContact NE2-O 2.88Å; K40-E229 VanDerWaalsContact CE-OE2 3.3Å; K40-E229 WeakPolarHBondContact CE-OE2 3.19Å; K40-E229 IonicContact NZ-OE2 3.58Å; K40-E229 PolarHBondContact NZ-OE2 2.69Å
230	N	82.1	Confident	88.8	Confident	42 Å²	42	48.2 Å²	48.2	23%	0.225	24%	0.239	C	C	.	.	S	Bend	trans	-70.9	121.4	176	-174.8	-6.1	0	0	0	110	H228 L232 E233 T234	H228-N230 VanDerWaalsContact ND1-CB 3.3Å; H228-N230 WeakPolarHBondContact ND1-CB 3.36Å; H228-N230 PolarHBondContact ND1-N 3.05Å; N230-L232 PolarHBondContact O-N 3.16Å; N230-L232 PolarHBondContact OD1-N 2.87Å; N230-L232 VanDerWaalsContact OD1-N 3.09Å; N230-E233 HydrophobicContact CB-CB 4.35Å; N230-E233 HydrophobicContact CB-CG 4.42Å; N230-E233 PolarHBondContact ND2-OE1 2.95Å; N230-E233 PolarHBondContact O-N 3.13Å; N230-E233 VanDerWaalsContact O-N 3.13Å; N230-T234 PolarHBondContact O-N 3.33Å; N230-T234 VanDerWaalsContact O-N 3.13Å
231	P	86.6	Confident	88.5	Confident	9 Å²	9	45.9 Å²	45.9	6%	0.058	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29	179.2	23.9	-34.5	0	0	0	113.2	L36 E233 T234 I237 F239	L36-P231 HydrophobicContact CB-CB 3.89Å; L36-P231 HydrophobicContact CB-CG 4.11Å; L36-P231 HydrophobicContact CD1-CB 3.78Å; L36-P231 HydrophobicContact CD1-CG 4.14Å; L36-P231 HydrophobicContact CG-CB 4.47Å; P231-E233 VanDerWaalsContact C-N 3.27Å; P231-E233 PolarHBondContact O-N 2.81Å; P231-T234 WeakPolarHBondContact O-CG2 3.3Å; P231-I237 HydrophobicContact CB-CD1 3.75Å; P231-F239 VanDerWaalsContact O-CZ 3.31Å; P231-F239 WeakPolarHBondContact O-CZ 3.39Å
232	L	83.4	Confident	88.4	Confident	45 Å²	45	43.1 Å²	43.1	24%	0.236	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-25.3	179.6	-60	-179.9	0	0	0	113.2	L213 N230 F239 V261	L213-L232 HydrophobicContact CD2-CD2 4.32Å; N230-L232 PolarHBondContact O-N 3.16Å; N230-L232 PolarHBondContact OD1-N 2.87Å; N230-L232 VanDerWaalsContact OD1-N 3.09Å; L232-F239 HydrophobicContact CD2-CE1 4.05Å; L232-F239 HydrophobicContact CD2-CZ 3.94Å; L232-V261 HydrophobicContact CD2-CG1 4.03Å
233	E	83.6	Confident	88	Confident	90 Å²	90	46.2 Å²	46.2	42%	0.421	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-21.9	-174.9	-68.9	173.2	-126.5	0	0	113.2	H228 N230 P231	H228-E233 HydrophobicContact CB-CB 4.16Å; H228-E233 IonicContact CD2-OE2 2.94Å; H228-E233 IonicContact CE1-OE1 2.65Å; H228-E233 IonicContact CE1-OE2 3.61Å; H228-E233 PolarHBondContact CE1-OE2 3.4Å; H228-E233 IonicContact CG-OE2 3.43Å; H228-E233 IonicContact ND1-OE2 3.97Å; H228-E233 PolarHBondContact ND1-OE2 3.48Å; H228-E233 IonicContact NE2-OE2 3.64Å; N230-E233 HydrophobicContact CB-CB 4.35Å; N230-E233 HydrophobicContact CB-CG 4.42Å; N230-E233 PolarHBondContact ND2-OE1 2.95Å; N230-E233 PolarHBondContact O-N 3.13Å; N230-E233 VanDerWaalsContact O-N 3.13Å; P231-E233 VanDerWaalsContact C-N 3.27Å; P231-E233 PolarHBondContact O-N 2.81Å
234	T	89.4	Confident	87.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.			trans	-64.5	146.9	178.5	-171.7	0	0	0	0	111.5	H39 R222 T227 N230 P231 N236 I237	H39-T234 HydrophobicContact CB-CG2 4.15Å; R222-T234 PolarHBondContact NH1-O 2.96Å; T227-T234 PolarHBondContact N-OG1 2.92Å; T227-T234 WeakPolarHBondContact OG1-CA 3.41Å; N230-T234 PolarHBondContact O-N 3.33Å; N230-T234 VanDerWaalsContact O-N 3.13Å; P231-T234 WeakPolarHBondContact O-CG2 3.3Å; T234-N236 WeakPolarHBondContact CB-OD1 3.3Å; T234-N236 WeakPolarHBondContact CG2-OD1 3.49Å; T234-N236 PolarHBondContact O-N 3Å; T234-N236 PolarHBondContact OG1-OD1 2.82Å; T234-I237 HydrophobicContact CG2-CB 4.44Å; T234-I237 HydrophobicContact CG2-CD1 4.13Å; T234-I237 HydrophobicContact CG2-CG1 4.15Å
235	R	91.9	Very high	87.3	Confident	120 Å²	120	46 Å²	46	45%	0.453	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.3	-179.5	-65.5	-172.6	-175.3	167.3	-1	113.8	T221 R222 S223 T227	T221-R235 WeakPolarHBondContact O-CG 3.36Å; R222-R235 CarbonylContact C-O 3.32Å; R222-R235 WeakPolarHBondContact CA-O 3.27Å; R222-R235 WeakPolarHBondContact CD-O 3.34Å; S223-R235 PolarHBondContact N-O 3.2Å; S223-R235 CarbonylContact O-C 3.56Å; S223-R235 VanDerWaalsContact OG-CB 3.25Å; S223-R235 WeakPolarHBondContact OG-CB 3.23Å; T227-R235 HydrophobicContact CG2-CB 4.08Å; T227-R235 HydrophobicContact CG2-CG 4.02Å; T227-R235 PolarHBondContact OG1-N 3.42Å
236	N	94.1	Very high	86.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	11.8	-166.8	78.5	-22.2	0	0	0	114.6	H39 R199 V200 S223 E225 L226 T234	H39-N236 WeakPolarHBondContact CB-OD1 3.09Å; H39-N236 PolarHBondContact O-ND2 2.74Å; R199-N236 PolarHBondContact NH1-ND2 2.97Å; R199-N236 PolarHBondContact NH1-O 3.48Å; R199-N236 PolarHBondContact NH2-ND2 3.16Å; V200-N236 PolarHBondContact N-O 3.49Å; S223-N236 WeakPolarHBondContact O-CA 3.31Å; S223-N236 WeakPolarHBondContact O-CB 3.2Å; E225-N236 WeakPolarHBondContact O-CB 3.44Å; L226-N236 WeakPolarHBondContact CA-ND2 3.22Å; T234-N236 WeakPolarHBondContact CB-OD1 3.3Å; T234-N236 WeakPolarHBondContact CG2-OD1 3.49Å; T234-N236 PolarHBondContact O-N 3Å; T234-N236 PolarHBondContact OG1-OD1 2.82Å
237	I	93.9	Very high	86.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.2	167.8	-65.7	175.8	0	0	0	109.6	L36 H39 L198 R222 P231 T234 F239 I254	L36-I237 HydrophobicContact CD1-CD1 4.33Å; H39-I237 HydrophobicContact CB-CD1 3.69Å; H39-I237 HydrophobicContact CB-CG1 3.95Å; L198-I237 CarbonylContact O-C 3.55Å; L198-I237 VanDerWaalsContact O-CA 3.27Å; L198-I237 WeakPolarHBondContact O-CA 3.49Å; R222-I237 VanDerWaalsContact CD-O 3.29Å; R222-I237 WeakPolarHBondContact CD-O 3.4Å; R222-I237 PolarHBondContact NH1-O 3.4Å; P231-I237 HydrophobicContact CB-CD1 3.75Å; T234-I237 HydrophobicContact CG2-CB 4.44Å; T234-I237 HydrophobicContact CG2-CD1 4.13Å; T234-I237 HydrophobicContact CG2-CG1 4.15Å; I237-F239 HydrophobicContact CB-CE1 4.44Å; I237-F239 HydrophobicContact CB-CZ 4.15Å; I237-F239 HydrophobicContact CG2-CD1 3.84Å; I237-F239 HydrophobicContact CG2-CD2 4.45Å; I237-F239 HydrophobicContact CG2-CE1 3.43Å; I237-F239 VanDerWaalsContact CG2-CE1 3.43Å; I237-F239 HydrophobicContact CG2-CE2 4.1Å; I237-F239 HydrophobicContact CG2-CG 4.33Å; I237-F239 HydrophobicContact CG2-CZ 3.56Å; I237-I254 HydrophobicContact CD1-CD1 4.49Å
238	C	92.6	Very high	86.7	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.4	159.8	-63.6	0	0	0	0	108.8	V194 D197 L198 V200	V194-C238 HydrophobicContact CG1-CB 3.95Å; V194-C238 HydrophobicContact CG2-CB 4.2Å; D197-C238 CarbonylContact C-O 3.57Å; D197-C238 WeakPolarHBondContact CA-O 3.34Å; L198-C238 HydrophobicContact CB-CB 4.27Å; L198-C238 PolarHBondContact N-O 3.42Å; L198-C238 PolarHBondContact O-N 2.88Å; V200-C238 VanDerWaalsContact CG2-SG 3.57Å
239	F	90.3	Very high	87.1	Confident	2 Å²	2	37 Å²	37	1%	0.009	19%	0.19	C	C	.	.			trans	-104.2	149.1	-174	-60.5	-75.7	0	0	0	112.2	V194 D197 L213 P231 L232 I237 T242 V261	V194-F239 VanDerWaalsContact CB-O 3.25Å; V194-F239 WeakPolarHBondContact CB-O 3.49Å; V194-F239 VanDerWaalsContact CG1-O 3.24Å; V194-F239 WeakPolarHBondContact CG1-O 3.45Å; D197-F239 WeakPolarHBondContact OD1-CA 3.41Å; L213-F239 HydrophobicContact CD1-CB 4.01Å; L213-F239 HydrophobicContact CD2-CB 3.97Å; L213-F239 HydrophobicContact CD2-CD1 4.08Å; L213-F239 HydrophobicContact CD2-CD2 4.09Å; L213-F239 HydrophobicContact CD2-CG 3.77Å; P231-F239 VanDerWaalsContact O-CZ 3.31Å; P231-F239 WeakPolarHBondContact O-CZ 3.39Å; L232-F239 HydrophobicContact CD2-CE1 4.05Å; L232-F239 HydrophobicContact CD2-CZ 3.94Å; I237-F239 HydrophobicContact CB-CE1 4.44Å; I237-F239 HydrophobicContact CB-CZ 4.15Å; I237-F239 HydrophobicContact CG2-CD1 3.84Å; I237-F239 HydrophobicContact CG2-CD2 4.45Å; I237-F239 HydrophobicContact CG2-CE1 3.43Å; I237-F239 VanDerWaalsContact CG2-CE1 3.43Å; I237-F239 HydrophobicContact CG2-CE2 4.1Å; I237-F239 HydrophobicContact CG2-CG 4.33Å; I237-F239 HydrophobicContact CG2-CZ 3.56Å; F239-T242 HydrophobicContact CB-CG2 3.89Å; F239-T242 PolarHBondContact O-N 2.95Å; F239-T242 PolarHBondContact O-OG1 3.49Å; F239-V261 HydrophobicContact CD1-CB 4.18Å; F239-V261 HydrophobicContact CD1-CG2 3.81Å; F239-V261 HydrophobicContact CE1-CG2 3.82Å
240	F	87	Confident	87.6	Confident	34 Å²	34	35.6 Å²	35.6	15%	0.149	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	142.8	168.5	175.1	-124.3	0	0	0	110.4	L75 P195 D197 T242 T260 M262	L75-F240 HydrophobicContact CD1-CE1 4.34Å; L75-F240 HydrophobicContact CD2-CE1 4.27Å; L75-F240 HydrophobicContact CG-CE1 4.28Å; P195-F240 VanDerWaalsContact O-CD2 3.27Å; P195-F240 WeakPolarHBondContact O-CD2 3.46Å; D197-F240 PolarHBondContact OD1-N 3.11Å; F240-T242 PolarHBondContact O-N 3Å; F240-T260 HydrophobicContact CB-CG2 3.89Å; F240-T260 HydrophobicContact CG-CG2 4.31Å; F240-M262 HydrophobicContact CD1-CB 3.88Å; F240-M262 WeakPolarHBondContact O-CG 3.43Å
241	S	80.2	Confident	88.2	Confident	7 Å²	7	33.6 Å²	33.6	5%	0.049	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	-5.4	178.4	173.3	0	0	0	0	116.1	R193 V194	R193-S241 PolarHBondContact NE-O 3.34Å; R193-S241 PolarHBondContact NH2-OG 3.19Å; V194-S241 PolarHBondContact O-N 2.89Å
242	T	85.9	Confident	88.7	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.167	C	C	.	.			trans	-81.9	157.2	173.4	69	0	0	0	0	111.8	R193 V194 D209 N210 L213 F239 F240	R193-T242 WeakPolarHBondContact CA-O 3.44Å; R193-T242 VanDerWaalsContact CG-O 3.3Å; R193-T242 WeakPolarHBondContact CG-O 3.35Å; V194-T242 WeakPolarHBondContact CB-O 3.46Å; V194-T242 WeakPolarHBondContact CG2-O 3.39Å; V194-T242 PolarHBondContact N-O 2.89Å; D209-T242 VanDerWaalsContact O-CB 3.23Å; D209-T242 WeakPolarHBondContact O-CB 3.32Å; N210-T242 WeakPolarHBondContact OD1-CG2 3.41Å; L213-T242 HydrophobicContact CD1-CG2 3.51Å; F239-T242 HydrophobicContact CB-CG2 3.89Å; F239-T242 PolarHBondContact O-N 2.95Å; F239-T242 PolarHBondContact O-OG1 3.49Å; F240-T242 PolarHBondContact O-N 3Å
243	N	84.4	Confident	89.3	Confident	70 Å²	70	31 Å²	31	37%	0.374	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.4	-178	-72.2	41.3	0	0	0	110.4	R193 V208 D209 V245	R193-N243 WeakPolarHBondContact CG-OD1 3.16Å; V208-N243 CarbonylContact C-O 3.58Å; V208-N243 VanDerWaalsContact CA-O 3.24Å; V208-N243 WeakPolarHBondContact CA-O 3.37Å; D209-N243 PolarHBondContact N-O 3.47Å; N243-V245 PolarHBondContact O-N 3.49Å
244	C	87.3	Confident	89.8	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	117.3	167.1	-175.5	0	0	0	0	108.2	K189 G191 D192 E246	K189-C244 VanDerWaalsContact C-SG 3.54Å; K189-C244 WeakPolarHBondContact O-CB 3.39Å; G191-C244 PolarHBondContact N-O 2.83Å; D192-C244 PolarHBondContact O-N 2.9Å; C244-E246 PolarHBondContact SG-O 2.9Å
245	V	82.4	Confident	89.9	Confident	57 Å²	57	27.8 Å²	27.8	35%	0.345	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-44.7	-176	-178.7	0	0	0	0	110.1	K207 D209 P219 N243	K207-V245 PolarHBondContact O-N 2.87Å; D209-V245 HydrophobicContact CB-CG2 3.69Å; P219-V245 HydrophobicContact CB-CB 4.3Å; P219-V245 HydrophobicContact CB-CG1 4.5Å; P219-V245 HydrophobicContact CB-CG2 4.09Å; P219-V245 HydrophobicContact CG-CB 4.45Å; P219-V245 HydrophobicContact CG-CG1 4.19Å; P219-V245 HydrophobicContact CG-CG2 4.17Å; N243-V245 PolarHBondContact O-N 3.49Å
246	E	80.8	Confident	89.8	Confident	68 Å²	68	22.1 Å²	22.1	32%	0.318	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	165.4	-179.5	60.9	174.8	-175.8	0	0	111.8	C206 K207 C244	C206-E246 WeakPolarHBondContact CA-O 3.35Å; K207-E246 HydrophobicContact CB-CG 3.99Å; K207-E246 HydrophobicContact CD-CG 4.2Å; K207-E246 WeakPolarHBondContact CD-OE1 3.25Å; K207-E246 WeakPolarHBondContact CE-OE1 3.45Å; K207-E246 HydrophobicContact CG-CG 4.06Å; K207-E246 PolarHBondContact N-O 2.93Å; K207-E246 IonicContact NZ-OE1 2.91Å; K207-E246 PolarHBondContact NZ-OE1 2.87Å; C244-E246 PolarHBondContact SG-O 2.9Å
247	G	85.4	Confident	89.4	Confident	35 Å²	35	22.2 Å²	22.2	36%	0.361	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76	-163.6	-178.4	0	0	0	0	0	113.5	G190 S204	G190-G247 PolarHBondContact N-O 2.93Å; S204-G247 WeakPolarHBondContact O-CA 3.3Å
248	N	90.5	Very high	88.9	Confident	72 Å²	72	24.6 Å²	24.6	39%	0.385	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.2	173.3	65.3	13.5	0	0	0	111.6	V188 K189 S203 S204 C206	V188-N248 WeakPolarHBondContact O-CA 3.35Å; K189-N248 HydrophobicContact CG-CB 4.33Å; S203-N248 WeakPolarHBondContact CA-O 3.38Å; S204-N248 WeakPolarHBondContact CB-OD1 3.45Å; S204-N248 PolarHBondContact N-O 3.44Å; S204-N248 PolarHBondContact O-N 3.25Å; C206-N248 WeakPolarHBondContact CB-O 3.48Å
249	A	94.1	Very high	88.6	Confident	3 Å²	3	30.4 Å²	30.4	3%	0.025	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.3	173.8	0	0	0	0	0	111.6	E187 V188 V200 S202 C206	E187-A249 WeakPolarHBondContact CA-O 3.33Å; V188-A249 HydrophobicContact CG2-CB 3.92Å; V188-A249 PolarHBondContact N-O 3.41Å; V188-A249 PolarHBondContact O-N 3.06Å; V200-A249 HydrophobicContact CG1-CB 4.45Å; S202-A249 CarbonylContact O-C 3.55Å; S202-A249 WeakPolarHBondContact O-CA 3.49Å; C206-A249 HydrophobicContact CB-CB 3.91Å
250	R	94.8	Very high	88.5	Confident	88 Å²	88	30.3 Å²	30.3	33%	0.332	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.9	166.2	-59.9	-179.3	175.7	170.2	2.3	109.5	L185 V186 E187 I201 S202	L185-R250 HydrophobicContact CD1-CB 4.28Å; V186-R250 VanDerWaalsContact O-CA 3.25Å; V186-R250 WeakPolarHBondContact O-CA 3.41Å; E187-R250 HydrophobicContact CB-CG 4.32Å; E187-R250 HydrophobicContact CG-CG 4.18Å; E187-R250 IonicContact OE2-CZ 2.72Å; E187-R250 IonicContact OE2-NE 2.82Å; E187-R250 PolarHBondContact OE2-NE 3.37Å; E187-R250 IonicContact OE2-NH2 3.74Å; E187-R250 PolarHBondContact OE2-NH2 3.09Å; I201-R250 HydrophobicContact CG1-CB 4.16Å; I201-R250 WeakPolarHBondContact CG1-O 3.47Å; I201-R250 PolarHBondContact N-O 3.37Å; S202-R250 PolarHBondContact N-O 2.74Å; S202-R250 PolarHBondContact O-N 3.29Å; S202-R250 WeakPolarHBondContact OG-CB 3.48Å
251	G	94.6	Very high	88.4	Confident	1 Å²	1	29 Å²	29	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	157.5	177.9	0	0	0	0	0	113.2	V186 R199	V186-G251 PolarHBondContact N-O 3.47Å; V186-G251 PolarHBondContact O-N 2.85Å; R199-G251 CarbonylContact O-C 3.6Å; R199-G251 WeakPolarHBondContact O-CA 3.38Å
252	I	95.7	Very high	88.4	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134	176.9	-60.1	167.1	0	0	0	108.5	V46 Y50 V52 L54 D184 L198 R199 I201 I254	V46-I252 HydrophobicContact CG1-CB 4.49Å; V46-I252 HydrophobicContact CG1-CD1 3.84Å; V46-I252 HydrophobicContact CG1-CG2 4.48Å; Y50-I252 HydrophobicContact CD2-CG2 4.35Å; V52-I252 HydrophobicContact CG1-CD1 3.86Å; V52-I252 HydrophobicContact CG1-CG1 4.22Å; V52-I252 HydrophobicContact CG1-CG2 4.08Å; L54-I252 HydrophobicContact CD2-CD1 3.63Å; D184-I252 CarbonylContact O-C 3.51Å; D184-I252 WeakPolarHBondContact O-CA 3.33Å; L198-I252 CarbonylContact C-O 3.59Å; L198-I252 VanDerWaalsContact CA-O 3.31Å; L198-I252 WeakPolarHBondContact CA-O 3.3Å; R199-I252 PolarHBondContact N-O 3Å; R199-I252 PolarHBondContact O-N 2.95Å; I201-I252 HydrophobicContact CG2-CD1 3.91Å; I201-I252 HydrophobicContact CG2-CG1 4.02Å; I252-I254 PolarHBondContact O-N 3.39Å
253	V	95.4	Very high	88.1	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	120.3	175.9	-178.7	0	0	0	0	110.6	V180 V181 L182 G183 D184 V186 A196 D197 L198 T256	V180-V253 HydrophobicContact CG1-CG2 3.69Å; V181-V253 WeakPolarHBondContact O-CB 3.47Å; V181-V253 WeakPolarHBondContact O-CG1 3.49Å; L182-V253 HydrophobicContact CD2-CG1 4.38Å; G183-V253 PolarHBondContact N-O 2.94Å; D184-V253 HydrophobicContact CB-CG2 3.89Å; D184-V253 WeakPolarHBondContact O-CG2 3.47Å; D184-V253 PolarHBondContact O-N 3.14Å; V186-V253 HydrophobicContact CG2-CG2 3.52Å; A196-V253 HydrophobicContact CB-CG1 3.76Å; A196-V253 HydrophobicContact CB-CG2 4.32Å; D197-V253 WeakPolarHBondContact O-CA 3.47Å; L198-V253 HydrophobicContact CD2-CB 4.24Å; L198-V253 HydrophobicContact CD2-CG2 3.55Å; V253-T256 HydrophobicContact CG1-CG2 3.52Å
254	I	94.4	Very high	88	Confident	12 Å²	12	28.1 Å²	28.1	6%	0.062	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-22.5	179.6	58.3	174.7	0	0	0	113.2	L36 D38 Y50 L182 D197 R199 I237 I252	L36-I254 HydrophobicContact CD2-CD1 4.07Å; D38-I254 HydrophobicContact CB-CD1 4.36Å; D38-I254 HydrophobicContact CB-CG2 4.04Å; Y50-I254 HydrophobicContact CE2-CG2 4.01Å; L182-I254 WeakPolarHBondContact CD2-O 3.24Å; D197-I254 HydrophobicContact CB-CG1 4.02Å; D197-I254 WeakPolarHBondContact O-CG1 3.48Å; D197-I254 PolarHBondContact O-N 2.81Å; R199-I254 HydrophobicContact CB-CG2 3.71Å; I237-I254 HydrophobicContact CD1-CD1 4.49Å; I252-I254 PolarHBondContact O-N 3.39Å
255	A	91.8	Very high	87.6	Confident	9 Å²	9	28.2 Å²	28.2	7%	0.074	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	145	172	0	0	0	0	0	111.4	A196 D197 R259 T260	A196-A255 WeakPolarHBondContact CB-O 3.31Å; D197-A255 HydrophobicContact CB-CB 3.99Å; D197-A255 PolarHBondContact N-O 2.91Å; A255-R259 HydrophobicContact CB-CB 4.49Å; A255-T260 HydrophobicContact CB-CG2 4.14Å; A255-T260 WeakPolarHBondContact O-CG2 3.31Å
256	T	91.3	Very high	87.2	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.13	C	C	.	.			trans	-129.9	149.8	178.5	57.2	0	0	0	0	111.7	N73 L182 V253 D258 R259	N73-T256 HydrophobicContact CB-CG2 4.27Å; N73-T256 WeakPolarHBondContact OD1-CA 3.34Å; L182-T256 HydrophobicContact CD2-CG2 4.27Å; L182-T256 HydrophobicContact CG-CG2 4.32Å; V253-T256 HydrophobicContact CG1-CG2 3.52Å; T256-D258 PolarHBondContact O-N 2.77Å; T256-R259 PolarHBondContact O-N 3Å; T256-R259 PolarHBondContact OG1-NH2 3.19Å; T256-R259 VanDerWaalsContact OG1-NH2 3.14Å
257	G	85.6	Confident	87	Confident	3 Å²	3	24.5 Å²	24.5	3%	0.031	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	55.6	-132.5	176.2	0	0	0	0	0	113.1	N73 A74 R259 T260	N73-G257 PolarHBondContact OD1-N 2.88Å; A74-G257 WeakPolarHBondContact O-CA 3.32Å; G257-R259 PolarHBondContact O-N 3.27Å; G257-R259 VanDerWaalsContact O-N 3.14Å; G257-T260 WeakPolarHBondContact O-CB 3.45Å; G257-T260 WeakPolarHBondContact O-CG2 3.45Å; G257-T260 PolarHBondContact O-N 3.16Å; G257-T260 VanDerWaalsContact O-N 3.14Å; G257-T260 PolarHBondContact O-OG1 2.88Å
258	D	81.6	Confident	86.8	Confident	50 Å²	50	23 Å²	23	27%	0.267	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-61.6	-20	-178.7	-59.9	-27.3	0	0	0	114	L75 T76 T256 T260 G263 R264	L75-D258 WeakPolarHBondContact CA-OD1 3.47Å; T76-D258 WeakPolarHBondContact CB-OD2 3.23Å; T76-D258 PolarHBondContact N-OD1 2.83Å; T76-D258 PolarHBondContact OG1-OD2 3.09Å; T256-D258 PolarHBondContact O-N 2.77Å; D258-T260 VanDerWaalsContact C-N 3.33Å; D258-G263 CarbonylContact O-C 3.1Å; D258-G263 VanDerWaalsContact O-C 3.25Å; D258-R264 PolarHBondContact O-N 3.45Å; D258-R264 VanDerWaalsContact O-N 3.15Å
259	R	87.3	Confident	86	Confident	124 Å²	124	19.9 Å²	19.9	47%	0.468	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	-79.6	-14.9	179.2	-66.9	173.5	-70.4	-94.4	-4.4	113.4	D70 A255 T256 G257	D70-R259 PolarHBondContact O-NH2 3.15Å; D70-R259 VanDerWaalsContact O-NH2 3.17Å; A255-R259 HydrophobicContact CB-CB 4.49Å; T256-R259 PolarHBondContact O-N 3Å; T256-R259 PolarHBondContact OG1-NH2 3.19Å; T256-R259 VanDerWaalsContact OG1-NH2 3.14Å; G257-R259 PolarHBondContact O-N 3.27Å; G257-R259 VanDerWaalsContact O-N 3.14Å
260	T	87.4	Confident	85	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-63.3	159.8	173.8	61.4	0	0	0	0	110.8	D197 F240 A255 G257 D258 M262 G263 R264	D197-T260 HydrophobicContact CB-CG2 4.49Å; D197-T260 WeakPolarHBondContact OD2-CA 3.28Å; D197-T260 WeakPolarHBondContact OD2-CB 3.44Å; F240-T260 HydrophobicContact CB-CG2 3.89Å; F240-T260 HydrophobicContact CG-CG2 4.31Å; A255-T260 HydrophobicContact CB-CG2 4.14Å; A255-T260 WeakPolarHBondContact O-CG2 3.31Å; G257-T260 WeakPolarHBondContact O-CB 3.45Å; G257-T260 WeakPolarHBondContact O-CG2 3.45Å; G257-T260 PolarHBondContact O-N 3.16Å; G257-T260 VanDerWaalsContact O-N 3.14Å; G257-T260 PolarHBondContact O-OG1 2.88Å; D258-T260 VanDerWaalsContact C-N 3.33Å; T260-M262 PolarHBondContact O-N 3.12Å; T260-G263 PolarHBondContact O-N 3.32Å; T260-G263 VanDerWaalsContact O-N 3.14Å; T260-G263 WeakPolarHBondContact OG1-CA 3.27Å; T260-G263 PolarHBondContact OG1-N 2.79Å; T260-R264 WeakPolarHBondContact O-CG 3.12Å; T260-R264 PolarHBondContact O-N 2.48Å
261	V	85.4	Confident	84.1	Confident	5 Å²	5	22.1 Å²	22.1	3%	0.03	11%	0.114	C	C	.	.	H	α-helix	trans	-53.6	-46.6	175.3	176.2	0	0	0	0	110.7	V34 L36 D197 L213 L232 F239 R264 I265	V34-V261 HydrophobicContact CG1-CG2 4.28Å; V34-V261 HydrophobicContact CG2-CG1 4.34Å; V34-V261 HydrophobicContact CG2-CG2 4.31Å; L36-V261 HydrophobicContact CD1-CG2 4.15Å; D197-V261 PolarHBondContact OD2-N 3.49Å; L213-V261 HydrophobicContact CD2-CB 4.29Å; L213-V261 HydrophobicContact CD2-CG1 3.7Å; L232-V261 HydrophobicContact CD2-CG1 4.03Å; F239-V261 HydrophobicContact CD1-CB 4.18Å; F239-V261 HydrophobicContact CD1-CG2 3.81Å; F239-V261 HydrophobicContact CE1-CG2 3.82Å; V261-R264 PolarHBondContact O-N 2.8Å; V261-I265 HydrophobicContact CG1-CD1 4.16Å; V261-I265 WeakPolarHBondContact O-CG1 3.4Å; V261-I265 PolarHBondContact O-N 2.98Å
262	M	81.1	Confident	83.2	Confident	7 Å²	7	22.7 Å²	22.7	3%	0.034	12%	0.117	C	C	.	.	H	α-helix	trans	-70.4	-35.9	179	-73.9	-72.4	-85.9	0	0	112.8	L213 F240 T260 R264 I265 A266 V715	L213-M262 HydrophobicContact CD1-CE 4.3Å; L213-M262 HydrophobicContact CD1-CG 3.72Å; L213-M262 HydrophobicContact CD1-SD 3.67Å; L213-M262 HydrophobicContact CD2-CG 4.35Å; L213-M262 HydrophobicContact CD2-SD 4.49Å; L213-M262 HydrophobicContact CG-CG 3.99Å; L213-M262 HydrophobicContact CG-SD 3.64Å; F240-M262 HydrophobicContact CD1-CB 3.88Å; F240-M262 WeakPolarHBondContact O-CG 3.43Å; T260-M262 PolarHBondContact O-N 3.12Å; M262-R264 VanDerWaalsContact C-N 3.35Å; M262-I265 PolarHBondContact O-N 3.22Å; M262-I265 HydrophobicContact SD-CD1 4.27Å; M262-A266 WeakPolarHBondContact O-CB 3.35Å; M262-A266 PolarHBondContact O-N 3.02Å; M262-V715 HydrophobicContact CE-CB 3.5Å; M262-V715 HydrophobicContact CE-CG1 3.48Å; M262-V715 VanDerWaalsContact CE-CG1 3.48Å; M262-V715 HydrophobicContact CE-CG2 3.58Å; M262-V715 HydrophobicContact SD-CB 4.15Å; M262-V715 HydrophobicContact SD-CG1 3.85Å
263	G	79.5	Confident	82.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-40.1	174.5	0	0	0	0	0	112.6	L75 D258 T260 A266 T267	L75-G263 VanDerWaalsContact CD2-CA 3.43Å; D258-G263 CarbonylContact O-C 3.1Å; D258-G263 VanDerWaalsContact O-C 3.25Å; T260-G263 PolarHBondContact O-N 3.32Å; T260-G263 VanDerWaalsContact O-N 3.14Å; T260-G263 WeakPolarHBondContact OG1-CA 3.27Å; T260-G263 PolarHBondContact OG1-N 2.79Å; G263-A266 PolarHBondContact O-N 3.33Å; G263-T267 WeakPolarHBondContact O-CB 3.15Å; G263-T267 PolarHBondContact O-N 3.04Å; G263-T267 PolarHBondContact O-OG1 3.26Å
264	R	81.9	Confident	81	Confident	53 Å²	53	33 Å²	33	20%	0.2	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-42.5	173.9	-71.5	179.4	60.5	175.3	-4.6	112	L30 K32 D258 T260 V261 M262 T267 L268	L30-R264 HydrophobicContact CD2-CB 4.35Å; L30-R264 HydrophobicContact CD2-CG 4.42Å; K32-R264 PolarHBondContact O-NH2 2.97Å; D258-R264 PolarHBondContact O-N 3.45Å; D258-R264 VanDerWaalsContact O-N 3.15Å; T260-R264 WeakPolarHBondContact O-CG 3.12Å; T260-R264 PolarHBondContact O-N 2.48Å; V261-R264 PolarHBondContact O-N 2.8Å; M262-R264 VanDerWaalsContact C-N 3.35Å; R264-T267 PolarHBondContact O-N 3.43Å; R264-L268 WeakPolarHBondContact O-CB 3.24Å; R264-L268 PolarHBondContact O-N 3.29Å
265	I	77.9	Confident	80.2	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-45.9	176.3	-66	162.5	0	0	0	110.5	V261 M262 T267 L268 A269 P689 V715 P719	V261-I265 HydrophobicContact CG1-CD1 4.16Å; V261-I265 WeakPolarHBondContact O-CG1 3.4Å; V261-I265 PolarHBondContact O-N 2.98Å; M262-I265 PolarHBondContact O-N 3.22Å; M262-I265 HydrophobicContact SD-CD1 4.27Å; I265-T267 VanDerWaalsContact C-N 3.33Å; I265-T267 PolarHBondContact O-N 3.42Å; I265-L268 PolarHBondContact O-N 3.05Å; I265-A269 WeakPolarHBondContact O-CB 3.27Å; I265-A269 PolarHBondContact O-N 2.94Å; I265-P689 HydrophobicContact CD1-CB 4.2Å; I265-P689 HydrophobicContact CD1-CG 3.77Å; I265-P689 HydrophobicContact CG1-CB 4.33Å; I265-P689 HydrophobicContact CG1-CG 4.42Å; I265-P689 HydrophobicContact CG2-CB 4.46Å; I265-V715 HydrophobicContact CG2-CG1 4.37Å; I265-P719 HydrophobicContact CG2-CG 3.84Å
266	A	75.1	Confident	79.7	Confident	14 Å²	14	42 Å²	42	12%	0.116	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-38	177.7	0	0	0	0	0	112.4	L75 M262 G263 S270	L75-A266 HydrophobicContact CD1-CB 4.1Å; M262-A266 WeakPolarHBondContact O-CB 3.35Å; M262-A266 PolarHBondContact O-N 3.02Å; G263-A266 PolarHBondContact O-N 3.33Å; A266-S270 WeakPolarHBondContact O-CB 3.48Å; A266-S270 PolarHBondContact O-N 3.26Å; A266-S270 PolarHBondContact O-OG 3.12Å
267	T	76.8	Confident	79.6	Confident	34 Å²	34	42.5 Å²	42.5	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-48.6	175	-57	0	0	0	0	110.6	L30 G263 R264 I265 A269 S270 E271	L30-T267 HydrophobicContact CD1-CG2 4.25Å; G263-T267 WeakPolarHBondContact O-CB 3.15Å; G263-T267 PolarHBondContact O-N 3.04Å; G263-T267 PolarHBondContact O-OG1 3.26Å; R264-T267 PolarHBondContact O-N 3.43Å; I265-T267 VanDerWaalsContact C-N 3.33Å; I265-T267 PolarHBondContact O-N 3.42Å; T267-A269 VanDerWaalsContact C-N 3.34Å; T267-A269 PolarHBondContact O-N 2.91Å; T267-S270 PolarHBondContact O-N 3.47Å; T267-E271 HydrophobicContact CG2-CG 4.23Å; T267-E271 WeakPolarHBondContact O-CG 3.04Å; T267-E271 PolarHBondContact O-N 2.89Å
268	L	79.9	Confident	79.9	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-56.4	-48.4	175.8	178.6	63.8	0	0	0	111	L27 L30 K31 R264 I265 S270 E271 L272 Q690 L693 P719	L27-L268 HydrophobicContact CD2-CD1 4.25Å; L30-L268 HydrophobicContact CB-CD1 4.08Å; K31-L268 HydrophobicContact CG-CD1 4.12Å; R264-L268 WeakPolarHBondContact O-CB 3.24Å; R264-L268 PolarHBondContact O-N 3.29Å; I265-L268 PolarHBondContact O-N 3.05Å; L268-S270 PolarHBondContact O-N 3.25Å; L268-E271 PolarHBondContact O-N 3.24Å; L268-L272 HydrophobicContact CD1-CG 4.36Å; L268-L272 HydrophobicContact CG-CD1 4.34Å; L268-L272 WeakPolarHBondContact O-CG 3.5Å; L268-L272 PolarHBondContact O-N 3.16Å; L268-L272 VanDerWaalsContact O-N 3.12Å; L268-Q690 HydrophobicContact CD2-CG 4.39Å; L268-L693 HydrophobicContact CD2-CD2 4.17Å; L268-P719 HydrophobicContact CD2-CB 4.2Å; L268-P719 HydrophobicContact CD2-CG 4.32Å; L268-P719 HydrophobicContact CG-CB 4.44Å
269	A	74.7	Confident	80.3	Confident	7 Å²	7	40.3 Å²	40.3	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-32.2	177.2	0	0	0	0	0	112.8	I265 T267 K722	I265-A269 WeakPolarHBondContact O-CB 3.27Å; I265-A269 PolarHBondContact O-N 2.94Å; T267-A269 VanDerWaalsContact C-N 3.34Å; T267-A269 PolarHBondContact O-N 2.91Å; A269-K722 WeakPolarHBondContact O-CG 3.32Å
270	S	72.9	Confident	80.3	Confident	64 Å²	64	35.8 Å²	35.8	45%	0.448	19%	0.185	S	C	.	.	H	α-helix	trans	-80.9	-32.4	179.8	-60.6	0	0	0	0	113.4	A266 T267 L268	A266-S270 WeakPolarHBondContact O-CB 3.48Å; A266-S270 PolarHBondContact O-N 3.26Å; A266-S270 PolarHBondContact O-OG 3.12Å; T267-S270 PolarHBondContact O-N 3.47Å; L268-S270 PolarHBondContact O-N 3.25Å
271	E	75	Confident	80.4	Confident	74 Å²	74	39 Å²	39	35%	0.346	20%	0.201	S	C	.	.	H	α-helix	trans	-87.7	-15.5	-177.3	-68.5	-165.2	153.7	0	0	114.2	L27 T267 L268 E273	L27-E271 HydrophobicContact CD2-CB 3.85Å; T267-E271 HydrophobicContact CG2-CG 4.23Å; T267-E271 WeakPolarHBondContact O-CG 3.04Å; T267-E271 PolarHBondContact O-N 2.89Å; L268-E271 PolarHBondContact O-N 3.24Å; E271-E273 PolarHBondContact O-N 2.84Å
272	L	77.1	Confident	80.7	Confident	14 Å²	14	38.9 Å²	38.9	7%	0.073	20%	0.2	C	C	.	.	S	Bend	trans	-59.7	126.7	175.4	-81	166.1	0	0	0	111.3	L268 V274 L693 P719 K722	L268-L272 HydrophobicContact CD1-CG 4.36Å; L268-L272 HydrophobicContact CG-CD1 4.34Å; L268-L272 WeakPolarHBondContact O-CG 3.5Å; L268-L272 PolarHBondContact O-N 3.16Å; L268-L272 VanDerWaalsContact O-N 3.12Å; L272-V274 PolarHBondContact O-N 2.64Å; L272-L693 HydrophobicContact CD1-CD1 4Å; L272-L693 HydrophobicContact CD1-CD2 4.06Å; L272-L693 HydrophobicContact CD2-CD1 4.44Å; L272-L693 HydrophobicContact CD2-CD2 4.26Å; L272-P719 HydrophobicContact CD1-CB 4.11Å; L272-K722 HydrophobicContact CB-CG 4.25Å
273	E	74.3	Confident	81	Confident	127 Å²	127	40 Å²	40	59%	0.593	21%	0.206	S	C	*	.	P	Polyproline II helix	trans	-66.9	127.4	175.2	-68.3	-168.5	165.7	0	0	110.4	E271 R275	E271-E273 PolarHBondContact O-N 2.84Å; E273-R275 PolarHBondContact O-N 3.42Å
274	V	70.6	Confident	81.4	Confident	89 Å²	89	43.9 Å²	43.9	54%	0.539	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-70	122.4	171.9	-178.3	0	0	0	0	108.2	L272 K722	L272-V274 PolarHBondContact O-N 2.64Å; V274-K722 HydrophobicContact CG2-CD 4.48Å
275	R	76.6	Confident	81.8	Confident	106 Å²	106	44.6 Å²	44.6	40%	0.4	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-71.1	150.3	174.6	-165.7	-179.1	-176.6	-166	6.7	109.6	E273 T277 D725	E273-R275 PolarHBondContact O-N 3.42Å; R275-T277 PolarHBondContact O-N 3.37Å; R275-D725 WeakPolarHBondContact CD-OD1 3.46Å; R275-D725 IonicContact CZ-OD1 2.71Å; R275-D725 IonicContact NE-OD1 3.56Å; R275-D725 IonicContact NH1-OD1 3.85Å; R275-D725 PolarHBondContact NH1-OD1 3.2Å; R275-D725 IonicContact NH1-OD2 2.72Å
276	Q	82.4	Confident	82.3	Confident	105 Å²	105	44.8 Å²	44.8	49%	0.491	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-60.9	136.8	171.2	-74.2	177.8	-42.4	0	0	110.3	I281 E284	Q276-I281 HydrophobicContact CB-CD1 4.25Å; Q276-I281 HydrophobicContact CB-CG1 3.93Å; Q276-E284 PolarHBondContact NE2-OE2 3.13Å
277	T	89.3	Confident	82.8	Confident	11 Å²	11	45.1 Å²	45.1	7%	0.067	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-69.2	154.8	177.7	64.6	0	0	0	0	110.9	R275 I279 S280 I281 E357	R275-T277 PolarHBondContact O-N 3.37Å; T277-I279 VanDerWaalsContact C-N 3.32Å; T277-I279 PolarHBondContact O-N 3.31Å; T277-S280 PolarHBondContact O-N 3.37Å; T277-S280 WeakPolarHBondContact OG1-CB 3.42Å; T277-S280 PolarHBondContact OG1-N 3.4Å; T277-I281 WeakPolarHBondContact O-CG1 3.47Å; T277-I281 PolarHBondContact O-N 3.05Å; T277-I281 VanDerWaalsContact O-N 3.09Å; T277-E357 HydrophobicContact CG2-CB 3.87Å; T277-E357 WeakPolarHBondContact CG2-OE2 3.32Å; T277-E357 PolarHBondContact OG1-OE2 3.21Å
278	P	91	Very high	83.4	Confident	6 Å²	6	49 Å²	49	4%	0.039	25%	0.246	C	C	.	.	H	α-helix	trans	-55.6	-45.1	176.6	-26.5	35.8	0	0	0	112.6	S280 I281 E282 T361 I707	P278-S280 PolarHBondContact O-N 3.18Å; P278-I281 PolarHBondContact O-N 2.89Å; P278-E282 VanDerWaalsContact O-CG 3.31Å; P278-E282 WeakPolarHBondContact O-CG 3.37Å; P278-E282 PolarHBondContact O-N 2.67Å; P278-T361 WeakPolarHBondContact CD-OG1 3.47Å; P278-T361 HydrophobicContact CG-CG2 3.98Å; P278-I707 HydrophobicContact CG-CD1 3.88Å; P278-I707 HydrophobicContact CG-CG1 4.21Å; P278-I707 HydrophobicContact CG-CG2 4.02Å
279	I	90.3	Very high	83.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.1	-37.3	178.1	-169.6	60.3	0	0	0	112.9	T277 I281 E282 I283 E357 E360 L768 L840	T277-I279 VanDerWaalsContact C-N 3.32Å; T277-I279 PolarHBondContact O-N 3.31Å; I279-I281 VanDerWaalsContact C-N 3.35Å; I279-I281 PolarHBondContact O-N 3.03Å; I279-E282 PolarHBondContact O-N 3.19Å; I279-I283 HydrophobicContact CG1-CD1 4.08Å; I279-I283 HydrophobicContact CG1-CG1 4.46Å; I279-I283 VanDerWaalsContact O-CG1 3.29Å; I279-I283 WeakPolarHBondContact O-CG1 3.37Å; I279-I283 PolarHBondContact O-N 3.33Å; I279-E357 HydrophobicContact CG2-CB 3.49Å; I279-E357 VanDerWaalsContact CG2-CB 3.49Å; I279-E357 HydrophobicContact CG2-CG 3.77Å; I279-E360 HydrophobicContact CB-CB 4.17Å; I279-E360 HydrophobicContact CB-CG 4.21Å; I279-E360 WeakPolarHBondContact CB-OE2 3.44Å; I279-E360 HydrophobicContact CD1-CG 4.29Å; I279-E360 PolarHBondContact N-OE2 3.03Å; I279-L768 HydrophobicContact CD1-CD1 4.04Å; I279-L840 HydrophobicContact CD1-CD2 3.93Å
280	S	86.8	Confident	84.6	Confident	30 Å²	30	50.9 Å²	50.9	21%	0.21	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-43.3	175.8	179.9	0	0	0	0	111.3	T277 P278 E282 I283 E284	T277-S280 PolarHBondContact O-N 3.37Å; T277-S280 WeakPolarHBondContact OG1-CB 3.42Å; T277-S280 PolarHBondContact OG1-N 3.4Å; P278-S280 PolarHBondContact O-N 3.18Å; S280-E282 VanDerWaalsContact C-N 3.31Å; S280-E282 PolarHBondContact O-N 2.91Å; S280-I283 PolarHBondContact O-N 2.91Å; S280-E284 PolarHBondContact O-N 3.21Å
281	I	90.3	Very high	85.2	Confident	67 Å²	67	49.8 Å²	49.8	34%	0.344	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-40.8	175.2	-64.4	166.9	0	0	0	111	Q276 T277 P278 I279 E284 H285	Q276-I281 HydrophobicContact CB-CD1 4.25Å; Q276-I281 HydrophobicContact CB-CG1 3.93Å; T277-I281 WeakPolarHBondContact O-CG1 3.47Å; T277-I281 PolarHBondContact O-N 3.05Å; T277-I281 VanDerWaalsContact O-N 3.09Å; P278-I281 PolarHBondContact O-N 2.89Å; I279-I281 VanDerWaalsContact C-N 3.35Å; I279-I281 PolarHBondContact O-N 3.03Å; I281-E284 PolarHBondContact O-N 3.34Å; I281-H285 WeakPolarHBondContact O-CB 3.45Å; I281-H285 PolarHBondContact O-N 2.89Å
282	E	91.6	Very high	85.9	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-39.7	177.1	-67.7	-58.6	150.5	0	0	112.4	P278 I279 S280 H285 F286 F765 R833 K839 L840	P278-E282 VanDerWaalsContact O-CG 3.31Å; P278-E282 WeakPolarHBondContact O-CG 3.37Å; P278-E282 PolarHBondContact O-N 2.67Å; I279-E282 PolarHBondContact O-N 3.19Å; S280-E282 VanDerWaalsContact C-N 3.31Å; S280-E282 PolarHBondContact O-N 2.91Å; E282-H285 PolarHBondContact O-N 3.12Å; E282-F286 WeakPolarHBondContact O-CB 3.44Å; E282-F286 PolarHBondContact O-N 3.34Å; E282-F765 HydrophobicContact CG-CE2 4.49Å; E282-R833 IonicContact OE1-CZ 3.47Å; E282-R833 IonicContact OE1-NH1 2.69Å; E282-R833 PolarHBondContact OE1-NH1 3.36Å; E282-K839 WeakPolarHBondContact OE1-CD 3.17Å; E282-K839 IonicContact OE1-NZ 2.8Å; E282-K839 PolarHBondContact OE1-NZ 2.71Å; E282-K839 VanDerWaalsContact OE2-CA 3.27Å; E282-K839 WeakPolarHBondContact OE2-CA 3.24Å; E282-K839 WeakPolarHBondContact OE2-CD 3.45Å; E282-L840 HydrophobicContact CB-CB 3.72Å; E282-L840 HydrophobicContact CB-CD2 4.13Å; E282-L840 HydrophobicContact CG-CB 4.07Å; E282-L840 PolarHBondContact OE2-N 2.73Å
283	I	87.4	Confident	86.5	Confident	31 Å²	31	49.6 Å²	49.6	16%	0.159	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-43.1	174.6	-69.7	167.3	0	0	0	110.4	I279 S280 F286 I287 V335	I279-I283 HydrophobicContact CG1-CD1 4.08Å; I279-I283 HydrophobicContact CG1-CG1 4.46Å; I279-I283 VanDerWaalsContact O-CG1 3.29Å; I279-I283 WeakPolarHBondContact O-CG1 3.37Å; I279-I283 PolarHBondContact O-N 3.33Å; S280-I283 PolarHBondContact O-N 2.91Å; I283-F286 WeakPolarHBondContact O-CB 3.2Å; I283-F286 PolarHBondContact O-N 3.19Å; I283-I287 HydrophobicContact CG2-CD1 3.7Å; I283-I287 HydrophobicContact CG2-CG1 4.4Å; I283-I287 WeakPolarHBondContact O-CD1 3.35Å; I283-I287 VanDerWaalsContact O-CG1 3.23Å; I283-I287 WeakPolarHBondContact O-CG1 3.23Å; I283-I287 PolarHBondContact O-N 3.31Å; I283-V335 HydrophobicContact CD1-CG1 4.16Å
284	E	86.9	Confident	87.2	Confident	81 Å²	81	43.5 Å²	43.5	38%	0.379	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-44.4	176.9	-173.6	178.5	165.9	0	0	111.8	Q276 S280 I281 F286 I287 H288	Q276-E284 PolarHBondContact NE2-OE2 3.13Å; S280-E284 PolarHBondContact O-N 3.21Å; I281-E284 PolarHBondContact O-N 3.34Å; E284-F286 VanDerWaalsContact C-N 3.32Å; E284-F286 PolarHBondContact O-N 2.79Å; E284-I287 PolarHBondContact O-N 3.11Å; E284-H288 PolarHBondContact O-N 3.2Å; E284-H288 PolarHBondContact O-ND1 2.95Å; E284-H288 IonicContact OE1-CE1 3.49Å; E284-H288 PolarHBondContact OE1-CE1 2.88Å
285	H	90.6	Very high	88.1	Confident	69 Å²	69	42.5 Å²	42.5	32%	0.319	22%	0.223	S	C	.	.	H	α-helix	trans	-58.3	-45.7	174.8	-179.7	64.8	0	0	0	111.8	I281 E282 H288 I289	I281-H285 WeakPolarHBondContact O-CB 3.45Å; I281-H285 PolarHBondContact O-N 2.89Å; E282-H285 PolarHBondContact O-N 3.12Å; H285-H288 PolarHBondContact O-N 3.18Å; H285-I289 PolarHBondContact O-N 3.1Å
286	F	88.5	Confident	88.8	Confident	7 Å²	7	44 Å²	44	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-48.2	175.7	161.1	-119.5	0	0	0	112.4	F95 E282 I283 E284 H288 I289 I290 P328 L331 I772 L776 V841	F95-F286 HydrophobicContact CE2-CD1 4.12Å; F95-F286 AromaticContact CE2-CE1 3.51Å; F95-F286 HydrophobicContact CE2-CE1 3.51Å; F95-F286 HydrophobicContact CE2-CZ 4.25Å; F95-F286 HydrophobicContact CZ-CD1 4.07Å; F95-F286 AromaticContact CZ-CE1 3.44Å; F95-F286 HydrophobicContact CZ-CE1 3.44Å; F95-F286 VanDerWaalsContact CZ-CE1 3.44Å; F95-F286 AromaticContact CZ-CZ 3.78Å; F95-F286 HydrophobicContact CZ-CZ 3.78Å; E282-F286 WeakPolarHBondContact O-CB 3.44Å; E282-F286 PolarHBondContact O-N 3.34Å; I283-F286 WeakPolarHBondContact O-CB 3.2Å; I283-F286 PolarHBondContact O-N 3.19Å; E284-F286 VanDerWaalsContact C-N 3.32Å; E284-F286 PolarHBondContact O-N 2.79Å; F286-H288 VanDerWaalsContact C-N 3.26Å; F286-H288 PolarHBondContact O-N 3.11Å; F286-I289 PolarHBondContact O-N 2.86Å; F286-I289 VanDerWaalsContact O-N 3.14Å; F286-I290 HydrophobicContact CD2-CG1 3.77Å; F286-I290 HydrophobicContact CE2-CB 4.46Å; F286-I290 HydrophobicContact CE2-CD1 3.81Å; F286-I290 HydrophobicContact CE2-CG1 3.16Å; F286-I290 HydrophobicContact CZ-CG1 3.75Å; F286-I290 PolarHBondContact O-N 3.07Å; F286-I290 VanDerWaalsContact O-N 3.08Å; F286-P328 HydrophobicContact CZ-CG 4.33Å; F286-L331 HydrophobicContact CE1-CD2 3.36Å; F286-L331 HydrophobicContact CE1-CG 4.44Å; F286-L331 HydrophobicContact CE2-CD2 4.34Å; F286-L331 HydrophobicContact CZ-CD2 3.21Å; F286-I772 HydrophobicContact CE2-CG2 4.32Å; F286-I772 HydrophobicContact CZ-CG2 4.48Å; F286-L776 HydrophobicContact CE2-CD1 3.86Å; F286-L776 HydrophobicContact CE2-CD2 4.12Å; F286-L776 HydrophobicContact CE2-CG 4.46Å; F286-L776 HydrophobicContact CZ-CD2 4.25Å; F286-V841 HydrophobicContact CB-CB 4.23Å; F286-V841 HydrophobicContact CB-CG2 4.01Å; F286-V841 HydrophobicContact CD2-CB 3.99Å; F286-V841 HydrophobicContact CD2-CG1 4.05Å; F286-V841 HydrophobicContact CD2-CG2 3.56Å; F286-V841 HydrophobicContact CE2-CG2 4.27Å; F286-V841 HydrophobicContact CG-CB 4.47Å; F286-V841 HydrophobicContact CG-CG2 3.92Å
287	I	86.8	Confident	89.2	Confident	22 Å²	22	40.7 Å²	40.7	11%	0.113	22%	0.218	C	C	.	.	H	α-helix	trans	-56.2	-43	177.1	-72	160.3	0	0	0	110.7	F95 I283 E284 I289 I290 T291	F95-I287 HydrophobicContact CD1-CG1 4.45Å; F95-I287 HydrophobicContact CD2-CD1 4.27Å; F95-I287 HydrophobicContact CD2-CG1 3.78Å; F95-I287 HydrophobicContact CE1-CB 4.47Å; F95-I287 HydrophobicContact CE1-CG1 4.11Å; F95-I287 HydrophobicContact CE1-CG2 4.41Å; F95-I287 HydrophobicContact CE2-CB 4.49Å; F95-I287 HydrophobicContact CE2-CD1 4.23Å; F95-I287 HydrophobicContact CE2-CG1 3.37Å; F95-I287 HydrophobicContact CG-CG1 4.3Å; F95-I287 HydrophobicContact CZ-CB 4.23Å; F95-I287 HydrophobicContact CZ-CG1 3.55Å; I283-I287 HydrophobicContact CG2-CD1 3.7Å; I283-I287 HydrophobicContact CG2-CG1 4.4Å; I283-I287 WeakPolarHBondContact O-CD1 3.35Å; I283-I287 VanDerWaalsContact O-CG1 3.23Å; I283-I287 WeakPolarHBondContact O-CG1 3.23Å; I283-I287 PolarHBondContact O-N 3.31Å; E284-I287 PolarHBondContact O-N 3.11Å; I287-I289 PolarHBondContact O-N 3.01Å; I287-I290 PolarHBondContact O-N 2.95Å; I287-T291 WeakPolarHBondContact O-CB 3.45Å; I287-T291 PolarHBondContact O-N 2.91Å; I287-T291 PolarHBondContact O-OG1 2.9Å
288	H	88.7	Confident	89.2	Confident	115 Å²	115	40.1 Å²	40.1	53%	0.532	22%	0.215	S	C	.	.	H	α-helix	trans	-63.2	-40.2	178.7	-70.4	143.4	0	0	0	113	E284 H285 F286 G292	E284-H288 PolarHBondContact O-N 3.2Å; E284-H288 PolarHBondContact O-ND1 2.95Å; E284-H288 IonicContact OE1-CE1 3.49Å; E284-H288 PolarHBondContact OE1-CE1 2.88Å; H285-H288 PolarHBondContact O-N 3.18Å; F286-H288 VanDerWaalsContact C-N 3.26Å; F286-H288 PolarHBondContact O-N 3.11Å; H288-G292 PolarHBondContact O-N 3.49Å
289	I	90.4	Very high	89.2	Confident	48 Å²	48	44.1 Å²	44.1	25%	0.246	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-52.8	177	-67.6	171.2	0	0	0	110.3	H285 F286 I287 T291 G292 V293	H285-I289 PolarHBondContact O-N 3.1Å; F286-I289 PolarHBondContact O-N 2.86Å; F286-I289 VanDerWaalsContact O-N 3.14Å; I287-I289 PolarHBondContact O-N 3.01Å; I289-T291 PolarHBondContact O-N 3.24Å; I289-G292 PolarHBondContact O-N 3.45Å; I289-G292 VanDerWaalsContact O-N 3.16Å; I289-V293 PolarHBondContact O-N 3.25Å
290	I	88.1	Confident	89.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-43.4	-178	-63.3	-55.6	0	0	0	111.3	F95 F286 I287 G292 V293 A294 N326 L776 I846	F95-I290 HydrophobicContact CE1-CB 4.21Å; F95-I290 HydrophobicContact CE1-CG2 4.06Å; F95-I290 HydrophobicContact CZ-CB 4.48Å; F286-I290 HydrophobicContact CD2-CG1 3.77Å; F286-I290 HydrophobicContact CE2-CB 4.46Å; F286-I290 HydrophobicContact CE2-CD1 3.81Å; F286-I290 HydrophobicContact CE2-CG1 3.16Å; F286-I290 HydrophobicContact CZ-CG1 3.75Å; F286-I290 PolarHBondContact O-N 3.07Å; F286-I290 VanDerWaalsContact O-N 3.08Å; I287-I290 PolarHBondContact O-N 2.95Å; I290-G292 VanDerWaalsContact C-N 3.28Å; I290-G292 PolarHBondContact O-N 3.43Å; I290-V293 PolarHBondContact O-N 2.95Å; I290-A294 VanDerWaalsContact O-CB 3.28Å; I290-A294 WeakPolarHBondContact O-CB 3.49Å; I290-A294 PolarHBondContact O-N 3.31Å; I290-N326 WeakPolarHBondContact CG2-O 3.46Å; I290-L776 HydrophobicContact CD1-CD1 4.36Å; I290-L776 HydrophobicContact CD1-CD2 3.78Å; I290-L776 HydrophobicContact CG1-CD2 4.37Å; I290-I846 HydrophobicContact CD1-CD1 4.42Å
291	T	87.2	Confident	89.4	Confident	41 Å²	41	46.3 Å²	46.3	25%	0.252	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-40.5	175.7	-55.5	0	0	0	0	111	L98 I287 I289 A294 V295	L98-T291 HydrophobicContact CD2-CG2 4.49Å; I287-T291 WeakPolarHBondContact O-CB 3.45Å; I287-T291 PolarHBondContact O-N 2.91Å; I287-T291 PolarHBondContact O-OG1 2.9Å; I289-T291 PolarHBondContact O-N 3.24Å; T291-A294 PolarHBondContact O-N 3.22Å; T291-V295 HydrophobicContact CG2-CG2 4.22Å; T291-V295 WeakPolarHBondContact O-CB 3.38Å; T291-V295 VanDerWaalsContact O-CG2 3.29Å; T291-V295 WeakPolarHBondContact O-CG2 3.2Å; T291-V295 PolarHBondContact O-N 3.27Å
292	G	89.8	Confident	89.4	Confident	42 Å²	42	44.4 Å²	44.4	43%	0.433	24%	0.236	S	C	.	.	H	α-helix	trans	-59.3	-47.6	175.5	0	0	0	0	0	112.6	H288 I289 I290 F296	H288-G292 PolarHBondContact O-N 3.49Å; I289-G292 PolarHBondContact O-N 3.45Å; I289-G292 VanDerWaalsContact O-N 3.16Å; I290-G292 VanDerWaalsContact C-N 3.28Å; I290-G292 PolarHBondContact O-N 3.43Å; G292-F296 WeakPolarHBondContact O-CB 3.46Å; G292-F296 PolarHBondContact O-N 3.38Å
293	V	89.9	Confident	89.4	Confident	42 Å²	42	48.7 Å²	48.7	26%	0.255	26%	0.257	S	S	.	.	H	α-helix	trans	-65.9	-44.9	177.1	176.1	0	0	0	0	111.4	I289 I290 V295 F296 L297 Y850	I289-V293 PolarHBondContact O-N 3.25Å; I290-V293 PolarHBondContact O-N 2.95Å; V293-V295 PolarHBondContact O-N 3.05Å; V293-F296 PolarHBondContact O-N 3.37Å; V293-L297 HydrophobicContact CG1-CD1 3.85Å; V293-L297 HydrophobicContact CG1-CG 4.29Å; V293-L297 WeakPolarHBondContact O-CB 3.38Å; V293-L297 WeakPolarHBondContact O-CG 3.35Å; V293-L297 PolarHBondContact O-N 3.14Å; V293-Y850 HydrophobicContact CG1-CE2 4.26Å
294	A	87.9	Confident	89.6	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-47.8	179.7	0	0	0	0	0	112	I290 T291 G298 N326	I290-A294 VanDerWaalsContact O-CB 3.28Å; I290-A294 WeakPolarHBondContact O-CB 3.49Å; I290-A294 PolarHBondContact O-N 3.31Å; T291-A294 PolarHBondContact O-N 3.22Å; A294-G298 PolarHBondContact O-N 3.46Å; A294-N326 HydrophobicContact CB-CB 3.54Å
295	V	88.9	Confident	89.7	Confident	68 Å²	68	46.1 Å²	46.1	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-69	-39.8	178.3	173.7	0	0	0	0	110.9	T291 V293 M299	T291-V295 HydrophobicContact CG2-CG2 4.22Å; T291-V295 WeakPolarHBondContact O-CB 3.38Å; T291-V295 VanDerWaalsContact O-CG2 3.29Å; T291-V295 WeakPolarHBondContact O-CG2 3.2Å; T291-V295 PolarHBondContact O-N 3.27Å; V293-V295 PolarHBondContact O-N 3.05Å; V295-M299 HydrophobicContact CG1-CG 4.13Å; V295-M299 VanDerWaalsContact O-CB 3.29Å; V295-M299 WeakPolarHBondContact O-CB 3.39Å; V295-M299 WeakPolarHBondContact O-CG 2.97Å; V295-M299 PolarHBondContact O-N 2.83Å
296	F	92.6	Very high	89.8	Confident	136 Å²	136	46.2 Å²	46.2	60%	0.596	25%	0.249	S	C	*	.	H	α-helix	trans	-61.2	-50.8	177.3	171.8	-103.1	0	0	0	111.9	G292 V293 S300	G292-F296 WeakPolarHBondContact O-CB 3.46Å; G292-F296 PolarHBondContact O-N 3.38Å; V293-F296 PolarHBondContact O-N 3.37Å; F296-S300 WeakPolarHBondContact O-CB 3.4Å; F296-S300 PolarHBondContact O-N 3.3Å; F296-S300 PolarHBondContact O-OG 2.84Å
297	L	90.3	Very high	90	Very high	36 Å²	36	52 Å²	52	19%	0.188	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-48.6	177.4	-68.9	177.3	0	0	0	110.6	V293 M299 S300 F301 I322	V293-L297 HydrophobicContact CG1-CD1 3.85Å; V293-L297 HydrophobicContact CG1-CG 4.29Å; V293-L297 WeakPolarHBondContact O-CB 3.38Å; V293-L297 WeakPolarHBondContact O-CG 3.35Å; V293-L297 PolarHBondContact O-N 3.14Å; L297-M299 PolarHBondContact O-N 3.32Å; L297-S300 PolarHBondContact O-N 3.13Å; L297-F301 HydrophobicContact CD2-CE2 4.34Å; L297-F301 WeakPolarHBondContact O-CB 3.2Å; L297-F301 WeakPolarHBondContact O-CD2 3.47Å; L297-F301 PolarHBondContact O-N 3.11Å; L297-I322 HydrophobicContact CB-CG2 4.09Å
298	G	89.1	Confident	90.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-54.9	-51.8	179.4	0	0	0	0	0	112.7	A294 F302 L319	A294-G298 PolarHBondContact O-N 3.46Å; G298-F302 VanDerWaalsContact O-CB 3.23Å; G298-F302 WeakPolarHBondContact O-CB 3.41Å; G298-F302 PolarHBondContact O-N 2.93Å; G298-L319 WeakPolarHBondContact O-CD1 3.46Å
299	M	90.4	Very high	90	Very high	90 Å²	90	53 Å²	53	44%	0.443	30%	0.303	S	S	.	.	H	α-helix	trans	-69.3	-38.5	-179.7	-70.9	-61.5	-61.7	0	0	113	V295 L297 F302 I303	V295-M299 HydrophobicContact CG1-CG 4.13Å; V295-M299 VanDerWaalsContact O-CB 3.29Å; V295-M299 WeakPolarHBondContact O-CB 3.39Å; V295-M299 WeakPolarHBondContact O-CG 2.97Å; V295-M299 PolarHBondContact O-N 2.83Å; L297-M299 PolarHBondContact O-N 3.32Å; M299-F302 PolarHBondContact O-N 2.95Å; M299-I303 VanDerWaalsContact O-CG1 3.3Å; M299-I303 WeakPolarHBondContact O-CG1 3.39Å; M299-I303 PolarHBondContact O-N 3.42Å
300	S	92.1	Very high	89.8	Confident	49 Å²	49	52.3 Å²	52.3	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-44.3	178.6	-60.9	0	0	0	0	111.1	F296 L297 I303 L304	F296-S300 WeakPolarHBondContact O-CB 3.4Å; F296-S300 PolarHBondContact O-N 3.3Å; F296-S300 PolarHBondContact O-OG 2.84Å; L297-S300 PolarHBondContact O-N 3.13Å; S300-I303 PolarHBondContact O-N 2.81Å; S300-L304 WeakPolarHBondContact O-CB 3.37Å; S300-L304 PolarHBondContact O-N 3.29Å
301	F	89.5	Confident	89.8	Confident	27 Å²	27	56.1 Å²	56.1	12%	0.118	32%	0.321	C	S	.	.	H	α-helix	trans	-75.4	-30.2	178.3	-83.3	-91.4	0	0	0	113.1	L297 L304 S305 I322 L787 I790 I791	L297-F301 HydrophobicContact CD2-CE2 4.34Å; L297-F301 WeakPolarHBondContact O-CB 3.2Å; L297-F301 WeakPolarHBondContact O-CD2 3.47Å; L297-F301 PolarHBondContact O-N 3.11Å; F301-L304 HydrophobicContact CD1-CD2 4.17Å; F301-L304 HydrophobicContact CE1-CD2 4.15Å; F301-L304 PolarHBondContact O-N 3.41Å; F301-S305 WeakPolarHBondContact O-CB 3.21Å; F301-S305 PolarHBondContact O-N 3.37Å; F301-S305 PolarHBondContact O-OG 2.87Å; F301-I322 HydrophobicContact CB-CD1 3.43Å; F301-I322 VanDerWaalsContact CB-CD1 3.43Å; F301-I322 HydrophobicContact CG-CD1 3.97Å; F301-L787 HydrophobicContact CD1-CD2 3.77Å; F301-L787 HydrophobicContact CD2-CD2 3.83Å; F301-L787 HydrophobicContact CE1-CB 3.93Å; F301-L787 HydrophobicContact CE1-CD1 4.48Å; F301-L787 HydrophobicContact CE1-CD2 3.59Å; F301-L787 HydrophobicContact CE1-CG 4.16Å; F301-L787 HydrophobicContact CE2-CD1 4.11Å; F301-L787 HydrophobicContact CE2-CD2 3.67Å; F301-L787 HydrophobicContact CE2-CG 4.41Å; F301-L787 HydrophobicContact CG-CD2 3.89Å; F301-L787 HydrophobicContact CZ-CB 4.07Å; F301-L787 HydrophobicContact CZ-CD1 3.82Å; F301-L787 HydrophobicContact CZ-CD2 3.55Å; F301-L787 HydrophobicContact CZ-CG 3.98Å; F301-I790 HydrophobicContact CD1-CD1 4.35Å; F301-I791 HydrophobicContact CE1-CD1 3.7Å; F301-I791 HydrophobicContact CE1-CG1 4.06Å; F301-I791 HydrophobicContact CZ-CD1 4.17Å
302	F	90	Very high	89.6	Confident	27 Å²	27	62.1 Å²	62.1	12%	0.118	34%	0.339	C	S	.	.	H	α-helix	trans	-58.4	-50.9	168.6	177	-97.1	0	0	0	111	G298 M299 L304 S305 L306 W312 A315 V316 L319	G298-F302 VanDerWaalsContact O-CB 3.23Å; G298-F302 WeakPolarHBondContact O-CB 3.41Å; G298-F302 PolarHBondContact O-N 2.93Å; M299-F302 PolarHBondContact O-N 2.95Å; F302-L304 VanDerWaalsContact C-N 3.35Å; F302-L304 PolarHBondContact O-N 3.2Å; F302-S305 PolarHBondContact O-N 2.93Å; F302-S305 PolarHBondContact O-OG 3.39Å; F302-L306 HydrophobicContact CD1-CD1 4.21Å; F302-L306 HydrophobicContact CE1-CD1 3.6Å; F302-L306 HydrophobicContact CE1-CG 4.49Å; F302-L306 HydrophobicContact CZ-CD1 3.87Å; F302-L306 PolarHBondContact O-N 3.31Å; F302-L306 VanDerWaalsContact O-N 3.16Å; F302-W312 AromaticContact CZ-NE1 3.8Å; F302-A315 HydrophobicContact CD2-CB 3.69Å; F302-A315 WeakPolarHBondContact CD2-O 3.19Å; F302-A315 HydrophobicContact CE2-CB 3.5Å; F302-A315 HydrophobicContact CZ-CB 4.35Å; F302-V316 HydrophobicContact CE2-CG2 3.97Å; F302-L319 HydrophobicContact CB-CB 4.46Å; F302-L319 HydrophobicContact CB-CD1 4.46Å; F302-L319 HydrophobicContact CD2-CB 4.12Å; F302-L319 HydrophobicContact CD2-CD2 4.31Å
303	I	92.4	Very high	89.2	Confident	91 Å²	91	61.8 Å²	61.8	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-44.1	177.5	-65.3	165	0	0	0	110.6	M299 S300 S305 L306 I307	M299-I303 VanDerWaalsContact O-CG1 3.3Å; M299-I303 WeakPolarHBondContact O-CG1 3.39Å; M299-I303 PolarHBondContact O-N 3.42Å; S300-I303 PolarHBondContact O-N 2.81Å; I303-S305 VanDerWaalsContact C-N 3.3Å; I303-S305 PolarHBondContact O-N 3.25Å; I303-L306 PolarHBondContact O-N 3.09Å; I303-I307 HydrophobicContact CG2-CD1 3.95Å; I303-I307 WeakPolarHBondContact O-CG1 2.95Å; I303-I307 PolarHBondContact O-N 3.3Å
304	L	91.3	Very high	88.7	Confident	59 Å²	59	62.6 Å²	62.6	31%	0.309	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-40.6	177.7	-171.8	66.6	0	0	0	111.8	S300 F301 F302 L306 I307 L308 I791	S300-L304 WeakPolarHBondContact O-CB 3.37Å; S300-L304 PolarHBondContact O-N 3.29Å; F301-L304 HydrophobicContact CD1-CD2 4.17Å; F301-L304 HydrophobicContact CE1-CD2 4.15Å; F301-L304 PolarHBondContact O-N 3.41Å; F302-L304 VanDerWaalsContact C-N 3.35Å; F302-L304 PolarHBondContact O-N 3.2Å; L304-L306 PolarHBondContact O-N 3.43Å; L304-I307 WeakPolarHBondContact O-CB 3.14Å; L304-I307 PolarHBondContact O-N 3.28Å; L304-L308 HydrophobicContact CG-CD1 4.12Å; L304-L308 HydrophobicContact CG-CG 4.5Å; L304-L308 WeakPolarHBondContact O-CG 3.33Å; L304-L308 PolarHBondContact O-N 3.41Å; L304-I791 HydrophobicContact CD2-CG1 4.16Å
305	S	89.8	Confident	88.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-41	178	72.4	0	0	0	0	111.9	F301 F302 I303 I307 L308 G309 Y310 A315	F301-S305 WeakPolarHBondContact O-CB 3.21Å; F301-S305 PolarHBondContact O-N 3.37Å; F301-S305 PolarHBondContact O-OG 2.87Å; F302-S305 PolarHBondContact O-N 2.93Å; F302-S305 PolarHBondContact O-OG 3.39Å; I303-S305 VanDerWaalsContact C-N 3.3Å; I303-S305 PolarHBondContact O-N 3.25Å; S305-I307 VanDerWaalsContact C-N 3.32Å; S305-I307 PolarHBondContact O-N 2.96Å; S305-L308 PolarHBondContact O-N 3.38Å; S305-G309 PolarHBondContact O-N 3.43Å; S305-Y310 WeakPolarHBondContact O-CB 3.44Å; S305-Y310 VanDerWaalsContact O-CD2 3.29Å; S305-Y310 WeakPolarHBondContact O-CD2 3.32Å; S305-Y310 PolarHBondContact O-N 2.75Å; S305-Y310 VanDerWaalsContact O-N 3.08Å; S305-A315 WeakPolarHBondContact OG-CB 3.46Å
306	L	91.4	Very high	88.3	Confident	70 Å²	70	60.3 Å²	60.3	37%	0.366	32%	0.315	S	S	.	.	H	α-helix	trans	-64.5	-37	174.3	-65	176.5	0	0	0	112	F302 I303 L304 L308 G309 A315	F302-L306 HydrophobicContact CD1-CD1 4.21Å; F302-L306 HydrophobicContact CE1-CD1 3.6Å; F302-L306 HydrophobicContact CE1-CG 4.49Å; F302-L306 HydrophobicContact CZ-CD1 3.87Å; F302-L306 PolarHBondContact O-N 3.31Å; F302-L306 VanDerWaalsContact O-N 3.16Å; I303-L306 PolarHBondContact O-N 3.09Å; L304-L306 PolarHBondContact O-N 3.43Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-G309 PolarHBondContact O-N 3.5Å; L306-A315 HydrophobicContact CD2-CB 3.8Å; L306-A315 HydrophobicContact CG-CB 4.18Å
307	I	93.2	Very high	87.7	Confident	129 Å²	129	56 Å²	56	66%	0.662	30%	0.297	S	S	*	.	H	α-helix	trans	-66.1	-37.9	175.8	-67.9	168.1	0	0	0	111.3	I303 L304 S305 G309	I303-I307 HydrophobicContact CG2-CD1 3.95Å; I303-I307 WeakPolarHBondContact O-CG1 2.95Å; I303-I307 PolarHBondContact O-N 3.3Å; L304-I307 WeakPolarHBondContact O-CB 3.14Å; L304-I307 PolarHBondContact O-N 3.28Å; S305-I307 VanDerWaalsContact C-N 3.32Å; S305-I307 PolarHBondContact O-N 2.96Å; I307-G309 PolarHBondContact O-N 3.18Å
308	L	88.4	Confident	87.4	Confident	92 Å²	92	54.7 Å²	54.7	48%	0.482	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-2.8	177.8	-68.6	173.2	0	0	0	113.4	L304 S305 L306 Y310 I790	L304-L308 HydrophobicContact CG-CD1 4.12Å; L304-L308 HydrophobicContact CG-CG 4.5Å; L304-L308 WeakPolarHBondContact O-CG 3.33Å; L304-L308 PolarHBondContact O-N 3.41Å; S305-L308 PolarHBondContact O-N 3.38Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L308-Y310 HydrophobicContact CB-CD2 4.01Å; L308-Y310 HydrophobicContact CB-CE2 4.01Å; L308-Y310 HydrophobicContact CD1-CE2 4.38Å; L308-I790 HydrophobicContact CD1-CG2 4.28Å
309	G	87.6	Confident	87.2	Confident	66 Å²	66	56 Å²	56	68%	0.68	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	13.8	174.5	0	0	0	0	0	115	S305 L306 I307	S305-G309 PolarHBondContact O-N 3.43Å; L306-G309 PolarHBondContact O-N 3.5Å; I307-G309 PolarHBondContact O-N 3.18Å
310	Y	86.5	Confident	86.7	Confident	34 Å²	34	51.9 Å²	51.9	13%	0.133	28%	0.277	C	S	.	.			trans	-68.5	150.4	172.7	-70	-76.5	0	0	0	111.6	S305 L308 F318 I790 S793 R883	S305-Y310 WeakPolarHBondContact O-CB 3.44Å; S305-Y310 VanDerWaalsContact O-CD2 3.29Å; S305-Y310 WeakPolarHBondContact O-CD2 3.32Å; S305-Y310 PolarHBondContact O-N 2.75Å; S305-Y310 VanDerWaalsContact O-N 3.08Å; L308-Y310 HydrophobicContact CB-CD2 4.01Å; L308-Y310 HydrophobicContact CB-CE2 4.01Å; L308-Y310 HydrophobicContact CD1-CE2 4.38Å; Y310-F318 AromaticContact CD1-CE2 3.82Å; Y310-F318 HydrophobicContact CD1-CE2 3.82Å; Y310-F318 HydrophobicContact CD1-CZ 4.19Å; Y310-F318 HydrophobicContact CD2-CE2 4.24Å; Y310-F318 HydrophobicContact CE1-CE2 4.08Å; Y310-F318 HydrophobicContact CE1-CZ 4.27Å; Y310-F318 HydrophobicContact CE2-CE2 4.46Å; Y310-F318 AromaticContact CG-CE2 3.9Å; Y310-F318 HydrophobicContact CG-CE2 3.9Å; Y310-I790 HydrophobicContact CE2-CG2 4.12Å; Y310-I790 PolarHBondContact OH-O 2.87Å; Y310-S793 PolarHBondContact OH-OG 3.34Å; Y310-S793 VanDerWaalsContact OH-OG 3.1Å; Y310-R883 PolarHBondContact OH-NH1 3.15Å; Y310-R883 VanDerWaalsContact OH-NH1 3.15Å
311	T	87.1	Confident	86.2	Confident	79 Å²	79	49.8 Å²	49.8	49%	0.485	26%	0.263	S	S	.	.			trans	-67.8	157.1	175.7	65.5	0	0	0	0	110.9	L313 E314 A315	T311-L313 PolarHBondContact O-N 2.87Å; T311-E314 WeakPolarHBondContact CB-OE2 3.4Å; T311-E314 PolarHBondContact N-OE2 2.98Å; T311-E314 PolarHBondContact O-N 3.18Å; T311-E314 VanDerWaalsContact OG1-CG 3.22Å; T311-E314 WeakPolarHBondContact OG1-CG 3.32Å; T311-E314 PolarHBondContact OG1-N 2.8Å; T311-E314 PolarHBondContact OG1-OE2 3.38Å; T311-A315 WeakPolarHBondContact O-CB 3.39Å; T311-A315 PolarHBondContact O-N 2.97Å
312	W	83.8	Confident	86.1	Confident	167 Å²	167	48.5 Å²	48.5	63%	0.633	26%	0.257	S	S	*	.	H	α-helix	trans	-60.2	-33.6	178.9	-167.4	78.1	0	0	0	112.4	F302 V316	F302-W312 AromaticContact CZ-NE1 3.8Å; W312-V316 HydrophobicContact CD2-CG2 4.22Å; W312-V316 HydrophobicContact CE3-CG2 4.24Å; W312-V316 HydrophobicContact CH2-CG2 4.2Å; W312-V316 HydrophobicContact CZ2-CG2 4.17Å; W312-V316 HydrophobicContact CZ3-CG2 4.23Å; W312-V316 VanDerWaalsContact O-CG2 3.32Å; W312-V316 WeakPolarHBondContact O-CG2 3.29Å; W312-V316 PolarHBondContact O-N 2.86Å
313	L	80.4	Confident	85.7	Confident	35 Å²	35	48.2 Å²	48.2	18%	0.183	26%	0.256	C	S	.	.	H	α-helix	trans	-67.2	-47.7	177.5	-176.6	63.2	0	0	0	111.7	I112 Q113 T311 A315 V316 I317	I112-L313 HydrophobicContact CB-CD1 4.18Å; I112-L313 HydrophobicContact CD1-CD1 4.48Å; I112-L313 HydrophobicContact CG2-CD1 3.85Å; I112-L313 HydrophobicContact CG2-CD2 4.3Å; Q113-L313 HydrophobicContact CG-CD2 3.95Å; T311-L313 PolarHBondContact O-N 2.87Å; L313-A315 VanDerWaalsContact C-N 3.33Å; L313-A315 PolarHBondContact O-N 2.95Å; L313-V316 PolarHBondContact O-N 2.86Å; L313-I317 HydrophobicContact CG-CD1 4.29Å; L313-I317 WeakPolarHBondContact O-CG1 3.49Å; L313-I317 PolarHBondContact O-N 2.92Å
314	E	80.3	Confident	85.2	Confident	60 Å²	60	44 Å²	44	28%	0.28	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-42.8	175.9	-69.2	169	119.8	0	0	111.6	T311 V316 I317 F318 R883	T311-E314 WeakPolarHBondContact CB-OE2 3.4Å; T311-E314 PolarHBondContact N-OE2 2.98Å; T311-E314 PolarHBondContact O-N 3.18Å; T311-E314 VanDerWaalsContact OG1-CG 3.22Å; T311-E314 WeakPolarHBondContact OG1-CG 3.32Å; T311-E314 PolarHBondContact OG1-N 2.8Å; T311-E314 PolarHBondContact OG1-OE2 3.38Å; E314-V316 VanDerWaalsContact C-N 3.3Å; E314-V316 PolarHBondContact O-N 2.87Å; E314-I317 PolarHBondContact O-N 2.83Å; E314-I317 VanDerWaalsContact O-N 3.12Å; E314-F318 HydrophobicContact CB-CE2 4.11Å; E314-F318 HydrophobicContact CB-CZ 3.94Å; E314-F318 WeakPolarHBondContact O-CD1 3.46Å; E314-F318 WeakPolarHBondContact O-CD2 3.34Å; E314-F318 VanDerWaalsContact O-CG 3.22Å; E314-F318 WeakPolarHBondContact O-CG 3.48Å; E314-F318 PolarHBondContact O-N 3.38Å; E314-R883 IonicContact OE1-NH2 2.93Å
315	A	85.6	Confident	84.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.9	-43.1	176.4	0	0	0	0	0	111.4	F302 S305 L306 T311 L313 F318 L319	F302-A315 HydrophobicContact CD2-CB 3.69Å; F302-A315 WeakPolarHBondContact CD2-O 3.19Å; F302-A315 HydrophobicContact CE2-CB 3.5Å; F302-A315 HydrophobicContact CZ-CB 4.35Å; S305-A315 WeakPolarHBondContact OG-CB 3.46Å; L306-A315 HydrophobicContact CD2-CB 3.8Å; L306-A315 HydrophobicContact CG-CB 4.18Å; T311-A315 WeakPolarHBondContact O-CB 3.39Å; T311-A315 PolarHBondContact O-N 2.97Å; L313-A315 VanDerWaalsContact C-N 3.33Å; L313-A315 PolarHBondContact O-N 2.95Å; A315-F318 PolarHBondContact O-N 2.76Å; A315-L319 WeakPolarHBondContact O-CB 3.33Å; A315-L319 PolarHBondContact O-N 2.86Å
316	V	82	Confident	84.7	Confident	20 Å²	20	41.2 Å²	41.2	12%	0.121	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-40.9	175.3	170.1	0	0	0	0	111.6	F302 W312 L313 E314 F318 L319 I320	F302-V316 HydrophobicContact CE2-CG2 3.97Å; W312-V316 HydrophobicContact CD2-CG2 4.22Å; W312-V316 HydrophobicContact CE3-CG2 4.24Å; W312-V316 HydrophobicContact CH2-CG2 4.2Å; W312-V316 HydrophobicContact CZ2-CG2 4.17Å; W312-V316 HydrophobicContact CZ3-CG2 4.23Å; W312-V316 VanDerWaalsContact O-CG2 3.32Å; W312-V316 WeakPolarHBondContact O-CG2 3.29Å; W312-V316 PolarHBondContact O-N 2.86Å; L313-V316 PolarHBondContact O-N 2.86Å; E314-V316 VanDerWaalsContact C-N 3.3Å; E314-V316 PolarHBondContact O-N 2.87Å; V316-F318 VanDerWaalsContact C-N 3.33Å; V316-F318 PolarHBondContact O-N 2.78Å; V316-L319 WeakPolarHBondContact O-CB 3.44Å; V316-L319 PolarHBondContact O-N 2.84Å; V316-I320 HydrophobicContact CG1-CD1 4.1Å; V316-I320 VanDerWaalsContact O-CG1 3.3Å; V316-I320 WeakPolarHBondContact O-CG1 3.24Å; V316-I320 PolarHBondContact O-N 2.6Å
317	I	80.1	Confident	84.4	Confident	44 Å²	44	38 Å²	38	23%	0.226	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-41.4	176.7	-67.4	167.5	0	0	0	110.7	A109 L313 E314 I320 G321	A109-I317 HydrophobicContact CB-CG1 4.38Å; L313-I317 HydrophobicContact CG-CD1 4.29Å; L313-I317 WeakPolarHBondContact O-CG1 3.49Å; L313-I317 PolarHBondContact O-N 2.92Å; E314-I317 PolarHBondContact O-N 2.83Å; E314-I317 VanDerWaalsContact O-N 3.12Å; I317-I320 PolarHBondContact O-N 3.22Å; I317-G321 PolarHBondContact O-N 2.71Å
318	F	83.5	Confident	84	Confident	10 Å²	10	31.9 Å²	31.9	4%	0.044	17%	0.172	C	C	.	.	H	α-helix	trans	-65.4	-40.7	175.7	-59	-19.9	0	0	0	112.3	Y310 E314 A315 V316 I320 G321 I322 F789 I790 R883	Y310-F318 AromaticContact CD1-CE2 3.82Å; Y310-F318 HydrophobicContact CD1-CE2 3.82Å; Y310-F318 HydrophobicContact CD1-CZ 4.19Å; Y310-F318 HydrophobicContact CD2-CE2 4.24Å; Y310-F318 HydrophobicContact CE1-CE2 4.08Å; Y310-F318 HydrophobicContact CE1-CZ 4.27Å; Y310-F318 HydrophobicContact CE2-CE2 4.46Å; Y310-F318 AromaticContact CG-CE2 3.9Å; Y310-F318 HydrophobicContact CG-CE2 3.9Å; E314-F318 HydrophobicContact CB-CE2 4.11Å; E314-F318 HydrophobicContact CB-CZ 3.94Å; E314-F318 WeakPolarHBondContact O-CD1 3.46Å; E314-F318 WeakPolarHBondContact O-CD2 3.34Å; E314-F318 VanDerWaalsContact O-CG 3.22Å; E314-F318 WeakPolarHBondContact O-CG 3.48Å; E314-F318 PolarHBondContact O-N 3.38Å; A315-F318 PolarHBondContact O-N 2.76Å; V316-F318 VanDerWaalsContact C-N 3.33Å; V316-F318 PolarHBondContact O-N 2.78Å; F318-I320 VanDerWaalsContact C-N 3.29Å; F318-I320 PolarHBondContact O-N 3.31Å; F318-G321 PolarHBondContact O-N 2.64Å; F318-I322 WeakPolarHBondContact O-CB 3.45Å; F318-I322 VanDerWaalsContact O-CG1 3.28Å; F318-I322 WeakPolarHBondContact O-CG1 3.42Å; F318-I322 PolarHBondContact O-N 3.35Å; F318-F789 HydrophobicContact CD1-CE1 4.25Å; F318-F789 HydrophobicContact CE1-CD1 4.24Å; F318-F789 AromaticContact CE1-CE1 3.52Å; F318-F789 HydrophobicContact CE1-CE1 3.52Å; F318-F789 AromaticContact CZ-CE1 3.91Å; F318-F789 HydrophobicContact CZ-CE1 3.91Å; F318-I790 HydrophobicContact CB-CD1 3.79Å; F318-I790 HydrophobicContact CB-CG1 4.47Å; F318-I790 HydrophobicContact CD2-CD1 3.92Å; F318-I790 HydrophobicContact CD2-CG1 3.75Å; F318-I790 HydrophobicContact CE2-CG1 4.15Å; F318-I790 HydrophobicContact CG-CD1 3.86Å; F318-I790 HydrophobicContact CG-CG1 3.99Å; F318-R883 VanDerWaalsContact CZ-NH1 3.3Å
319	L	85.1	Confident	83.7	Confident	26 Å²	26	27.9 Å²	27.9	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-57	-45.5	174.1	174.6	64.6	0	0	0	111	G298 F302 A315 V316 I323	G298-L319 WeakPolarHBondContact O-CD1 3.46Å; F302-L319 HydrophobicContact CB-CB 4.46Å; F302-L319 HydrophobicContact CB-CD1 4.46Å; F302-L319 HydrophobicContact CD2-CB 4.12Å; F302-L319 HydrophobicContact CD2-CD2 4.31Å; A315-L319 WeakPolarHBondContact O-CB 3.33Å; A315-L319 PolarHBondContact O-N 2.86Å; V316-L319 WeakPolarHBondContact O-CB 3.44Å; V316-L319 PolarHBondContact O-N 2.84Å; L319-I323 HydrophobicContact CD1-CD1 3.83Å; L319-I323 HydrophobicContact CD1-CG1 4.3Å; L319-I323 HydrophobicContact CG-CD1 4Å; L319-I323 WeakPolarHBondContact O-CB 3.37Å; L319-I323 VanDerWaalsContact O-CG1 3.28Å; L319-I323 WeakPolarHBondContact O-CG1 3.46Å; L319-I323 PolarHBondContact O-N 2.87Å
320	I	81.5	Confident	83.5	Confident	5 Å²	5	24.8 Å²	24.8	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-50.5	176.7	-64.4	163.4	0	0	0	110.3	L105 A109 V316 I317 F318 I322 I323 V324	L105-I320 HydrophobicContact CB-CD1 3.67Å; L105-I320 HydrophobicContact CB-CG1 3.75Å; L105-I320 HydrophobicContact CD1-CG1 4.21Å; A109-I320 HydrophobicContact CB-CD1 4.3Å; V316-I320 HydrophobicContact CG1-CD1 4.1Å; V316-I320 VanDerWaalsContact O-CG1 3.3Å; V316-I320 WeakPolarHBondContact O-CG1 3.24Å; V316-I320 PolarHBondContact O-N 2.6Å; I317-I320 PolarHBondContact O-N 3.22Å; F318-I320 VanDerWaalsContact C-N 3.29Å; F318-I320 PolarHBondContact O-N 3.31Å; I320-I322 VanDerWaalsContact C-N 3.32Å; I320-I322 PolarHBondContact O-N 3.28Å; I320-I323 PolarHBondContact O-N 3.48Å; I320-V324 HydrophobicContact CG2-CG2 4.21Å; I320-V324 WeakPolarHBondContact O-CG2 3.38Å; I320-V324 PolarHBondContact O-N 3.31Å
321	G	80.8	Confident	83.4	Confident	5 Å²	5	23.2 Å²	23.2	5%	0.052	11%	0.113	C	C	.	.	H	α-helix	trans	-57.8	-42.7	-179.6	0	0	0	0	0	112.8	I317 F318 A325	I317-G321 PolarHBondContact O-N 2.71Å; F318-G321 PolarHBondContact O-N 2.64Å; G321-A325 VanDerWaalsContact O-CB 3.28Å; G321-A325 WeakPolarHBondContact O-CB 3.42Å; G321-A325 PolarHBondContact O-N 3.36Å
322	I	86.7	Confident	83	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.3	-40.2	177.4	-66.8	169.7	0	0	0	111.4	L297 F301 F318 I320 N326 F786 L787 I790	L297-I322 HydrophobicContact CB-CG2 4.09Å; F301-I322 HydrophobicContact CB-CD1 3.43Å; F301-I322 VanDerWaalsContact CB-CD1 3.43Å; F301-I322 HydrophobicContact CG-CD1 3.97Å; F318-I322 WeakPolarHBondContact O-CB 3.45Å; F318-I322 VanDerWaalsContact O-CG1 3.28Å; F318-I322 WeakPolarHBondContact O-CG1 3.42Å; F318-I322 PolarHBondContact O-N 3.35Å; I320-I322 VanDerWaalsContact C-N 3.32Å; I320-I322 PolarHBondContact O-N 3.28Å; I322-N326 PolarHBondContact O-N 2.85Å; I322-N326 PolarHBondContact O-ND2 2.54Å; I322-F786 HydrophobicContact CG1-CB 4.27Å; I322-L787 HydrophobicContact CD1-CD2 4.1Å; I322-L787 HydrophobicContact CG1-CD2 4.41Å; I322-I790 HydrophobicContact CD1-CD1 4.02Å
323	I	83.3	Confident	82.9	Confident	20 Å²	20	14.3 Å²	14.3	10%	0.103	8%	0.077	C	C	.	.	H	α-helix	trans	-63.9	-49	176.8	-71.9	170.7	0	0	0	109.9	L98 L319 I320 N326 V327	L98-I323 HydrophobicContact CD1-CG2 3.81Å; L98-I323 HydrophobicContact CD2-CG2 4.44Å; L98-I323 HydrophobicContact CG-CG2 4.03Å; L319-I323 HydrophobicContact CD1-CD1 3.83Å; L319-I323 HydrophobicContact CD1-CG1 4.3Å; L319-I323 HydrophobicContact CG-CD1 4Å; L319-I323 WeakPolarHBondContact O-CB 3.37Å; L319-I323 VanDerWaalsContact O-CG1 3.28Å; L319-I323 WeakPolarHBondContact O-CG1 3.46Å; L319-I323 PolarHBondContact O-N 2.87Å; I320-I323 PolarHBondContact O-N 3.48Å; I323-N326 PolarHBondContact O-N 2.9Å; I323-N326 VanDerWaalsContact O-N 3.1Å; I323-V327 WeakPolarHBondContact O-CG2 3.33Å; I323-V327 PolarHBondContact O-N 2.88Å
324	V	80.5	Confident	83.3	Confident	3 Å²	3	12.8 Å²	12.8	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-58.3	-50.5	179	172.8	0	0	0	0	110.2	L131 I320 N326 V327 E329 T800	L131-V324 HydrophobicContact CD1-CG2 3.98Å; I320-V324 HydrophobicContact CG2-CG2 4.21Å; I320-V324 WeakPolarHBondContact O-CG2 3.38Å; I320-V324 PolarHBondContact O-N 3.31Å; V324-N326 PolarHBondContact O-N 3.48Å; V324-V327 PolarHBondContact O-N 3.36Å; V324-E329 WeakPolarHBondContact CG1-OE1 3.35Å; V324-T800 HydrophobicContact CG1-CG2 4.01Å
325	A	85.1	Confident	83.7	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62	-15.5	178	0	0	0	0	0	114.8	G321 I783 I803	G321-A325 VanDerWaalsContact O-CB 3.28Å; G321-A325 WeakPolarHBondContact O-CB 3.42Å; G321-A325 PolarHBondContact O-N 3.36Å; A325-I783 HydrophobicContact CB-CG1 3.77Å; A325-I783 VanDerWaalsContact O-CG1 3.3Å; A325-I783 WeakPolarHBondContact O-CG1 3.2Å; A325-I803 HydrophobicContact CB-CD1 3.93Å
326	N	86.3	Confident	83.7	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-93.2	-18.3	175.9	-89.2	-85.6	0	0	0	113.5	I290 A294 I322 I323 V324 P328 N779 I783	I290-N326 WeakPolarHBondContact CG2-O 3.46Å; A294-N326 HydrophobicContact CB-CB 3.54Å; I322-N326 PolarHBondContact O-N 2.85Å; I322-N326 PolarHBondContact O-ND2 2.54Å; I323-N326 PolarHBondContact O-N 2.9Å; I323-N326 VanDerWaalsContact O-N 3.1Å; V324-N326 PolarHBondContact O-N 3.48Å; N326-P328 WeakPolarHBondContact O-CD 3.49Å; N326-N779 PolarHBondContact O-ND2 3.12Å; N326-I783 HydrophobicContact CB-CD1 4.32Å; N326-I783 WeakPolarHBondContact ND2-CD1 3.35Å; N326-I783 WeakPolarHBondContact OD1-CD1 3.3Å
327	V	85.1	Confident	84	Confident	2 Å²	2	11.9 Å²	11.9	1%	0.012	7%	0.068	C	C	.	.	S	Bend	trans	-93.3	114.3	-174.8	177.4	0	0	0	0	108.5	F95 L98 L99 I323 V324 E329	F95-V327 HydrophobicContact CB-CG1 4.47Å; F95-V327 HydrophobicContact CD1-CG1 4.02Å; F95-V327 HydrophobicContact CG-CG1 4.5Å; L98-V327 HydrophobicContact CD2-CG2 3.22Å; L98-V327 HydrophobicContact CG-CG2 3.8Å; L99-V327 HydrophobicContact CD2-CB 4.38Å; L99-V327 HydrophobicContact CD2-CG1 3.83Å; L99-V327 HydrophobicContact CG-CG1 4.2Å; I323-V327 WeakPolarHBondContact O-CG2 3.33Å; I323-V327 PolarHBondContact O-N 2.88Å; V324-V327 PolarHBondContact O-N 3.36Å; V327-E329 HydrophobicContact CG1-CG 4.45Å; V327-E329 PolarHBondContact O-N 3.14Å
328	P	84.4	Confident	84.6	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.006	6%	0.058	C	C	.	.			trans	-76.8	91.3	179.8	32.1	-35.2	0	0	0	109.9	F286 N326 G330 L331 T775 L776	F286-P328 HydrophobicContact CZ-CG 4.33Å; N326-P328 WeakPolarHBondContact O-CD 3.49Å; P328-G330 VanDerWaalsContact C-N 3.3Å; P328-G330 PolarHBondContact O-N 2.95Å; P328-L331 HydrophobicContact CB-CB 3.89Å; P328-L331 HydrophobicContact CB-CD2 4.28Å; P328-L331 HydrophobicContact CG-CB 4.01Å; P328-L331 HydrophobicContact CG-CD2 3.81Å; P328-L331 WeakPolarHBondContact O-CB 3.48Å; P328-L331 PolarHBondContact O-N 3.49Å; P328-L331 VanDerWaalsContact O-N 3.15Å; P328-T775 HydrophobicContact CB-CG2 4.04Å; P328-L776 HydrophobicContact CG-CD2 4.14Å
329	E	82.9	Confident	84.9	Confident	8 Å²	8	9.8 Å²	9.8	4%	0.037	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-33	-168.9	-61.7	93.5	160.7	0	0	113.2	L99 V134 V324 V327 L331 L808	L99-E329 HydrophobicContact CD1-CG 4.24Å; L99-E329 HydrophobicContact CD2-CG 3.73Å; V134-E329 HydrophobicContact CG1-CB 4.32Å; V324-E329 WeakPolarHBondContact CG1-OE1 3.35Å; V327-E329 HydrophobicContact CG1-CG 4.45Å; V327-E329 PolarHBondContact O-N 3.14Å; E329-L331 VanDerWaalsContact C-N 3.31Å; E329-L331 PolarHBondContact O-N 3.27Å; E329-L808 HydrophobicContact CB-CD2 3.98Å; E329-L808 HydrophobicContact CB-CG 4.32Å
330	G	81.8	Confident	85	Confident	1 Å²	1	10 Å²	10	1%	0.01	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.1	178.1	0	0	0	0	0	114.5	P328 T334 D807	P328-G330 VanDerWaalsContact C-N 3.3Å; P328-G330 PolarHBondContact O-N 2.95Å; G330-T334 WeakPolarHBondContact O-CB 3.47Å; G330-T334 PolarHBondContact O-N 3.32Å; G330-T334 PolarHBondContact O-OG1 3.42Å; G330-D807 WeakPolarHBondContact CA-O 3.28Å
331	L	84.4	Confident	85.4	Confident	1 Å²	1	11.2 Å²	11.2	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-70.4	-41	-167.2	-176.2	60.6	0	0	0	113.3	F286 P328 E329 A333 T334 V335 I772 T775	F286-L331 HydrophobicContact CE1-CD2 3.36Å; F286-L331 HydrophobicContact CE1-CG 4.44Å; F286-L331 HydrophobicContact CE2-CD2 4.34Å; F286-L331 HydrophobicContact CZ-CD2 3.21Å; P328-L331 HydrophobicContact CB-CB 3.89Å; P328-L331 HydrophobicContact CB-CD2 4.28Å; P328-L331 HydrophobicContact CG-CB 4.01Å; P328-L331 HydrophobicContact CG-CD2 3.81Å; P328-L331 WeakPolarHBondContact O-CB 3.48Å; P328-L331 PolarHBondContact O-N 3.49Å; P328-L331 VanDerWaalsContact O-N 3.15Å; E329-L331 VanDerWaalsContact C-N 3.31Å; E329-L331 PolarHBondContact O-N 3.27Å; L331-A333 PolarHBondContact O-N 3.33Å; L331-T334 WeakPolarHBondContact O-CB 3.47Å; L331-T334 PolarHBondContact O-N 3.09Å; L331-V335 HydrophobicContact CD1-CG2 4.25Å; L331-V335 HydrophobicContact CG-CG2 4.38Å; L331-V335 WeakPolarHBondContact O-CG2 3.43Å; L331-V335 PolarHBondContact O-N 3.43Å; L331-I772 HydrophobicContact CD1-CB 4.47Å; L331-I772 HydrophobicContact CD1-CG1 3.91Å; L331-I772 HydrophobicContact CD2-CG1 4.37Å; L331-I772 HydrophobicContact CD2-CG2 4.27Å; L331-T775 HydrophobicContact CB-CG2 4.25Å; L331-T775 HydrophobicContact CD1-CG2 4.33Å
332	L	78.6	Confident	86	Confident	43 Å²	43	11 Å²	11	23%	0.225	6%	0.064	C	C	.	.	H	α-helix	trans	-62	-46.9	-179.7	-175.8	63.8	0	0	0	110.7	T138 T334 V335 T336	T138-L332 HydrophobicContact CG2-CB 4.48Å; T138-L332 HydrophobicContact CG2-CD2 3.85Å; T138-L332 HydrophobicContact CG2-CG 4.3Å; L332-T334 VanDerWaalsContact C-N 3.28Å; L332-T334 PolarHBondContact O-N 3.48Å; L332-V335 PolarHBondContact O-N 2.95Å; L332-T336 PolarHBondContact O-N 3.19Å; L332-T336 PolarHBondContact O-OG1 3.03Å
333	A	82.9	Confident	86.1	Confident	17 Å²	17	11.6 Å²	11.6	14%	0.14	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-41.9	175.3	0	0	0	0	0	111.2	L331 T336 V337 M812	L331-A333 PolarHBondContact O-N 3.33Å; A333-T336 PolarHBondContact O-N 2.93Å; A333-V337 VanDerWaalsContact O-CG2 3.3Å; A333-V337 WeakPolarHBondContact O-CG2 3.35Å; A333-V337 PolarHBondContact O-N 3.18Å; A333-M812 HydrophobicContact CB-CE 4.29Å
334	T	89	Confident	86.3	Confident	2 Å²	2	16.9 Å²	16.9	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-61.8	-50.4	177.6	-61.8	0	0	0	0	111.9	G330 L331 L332 T336 V337 C338 S771 A815 I816	G330-T334 WeakPolarHBondContact O-CB 3.47Å; G330-T334 PolarHBondContact O-N 3.32Å; G330-T334 PolarHBondContact O-OG1 3.42Å; L331-T334 WeakPolarHBondContact O-CB 3.47Å; L331-T334 PolarHBondContact O-N 3.09Å; L332-T334 VanDerWaalsContact C-N 3.28Å; L332-T334 PolarHBondContact O-N 3.48Å; T334-T336 VanDerWaalsContact C-N 3.29Å; T334-T336 PolarHBondContact O-N 2.7Å; T334-V337 PolarHBondContact O-N 3.35Å; T334-V337 VanDerWaalsContact O-N 3.14Å; T334-C338 WeakPolarHBondContact O-CB 3.37Å; T334-C338 PolarHBondContact O-N 3.38Å; T334-C338 PolarHBondContact O-SG 3.07Å; T334-S771 WeakPolarHBondContact CG2-OG 3.26Å; T334-A815 HydrophobicContact CG2-CB 3.8Å; T334-I816 HydrophobicContact CG2-CG1 3.79Å
335	V	88.7	Confident	86.8	Confident	11 Å²	11	19.5 Å²	19.5	7%	0.067	10%	0.101	C	C	.	.	H	α-helix	trans	-55.7	-45.7	176.3	172.7	0	0	0	0	110.8	I283 L331 L332 V337 C338 L339 L768	I283-V335 HydrophobicContact CD1-CG1 4.16Å; L331-V335 HydrophobicContact CD1-CG2 4.25Å; L331-V335 HydrophobicContact CG-CG2 4.38Å; L331-V335 WeakPolarHBondContact O-CG2 3.43Å; L331-V335 PolarHBondContact O-N 3.43Å; L332-V335 PolarHBondContact O-N 2.95Å; V335-V337 PolarHBondContact O-N 3.43Å; V335-C338 WeakPolarHBondContact O-CB 3.39Å; V335-C338 PolarHBondContact O-N 3.45Å; V335-L339 HydrophobicContact CG1-CD1 4.21Å; V335-L339 WeakPolarHBondContact O-CG 3.47Å; V335-L339 PolarHBondContact O-N 3Å; V335-L768 HydrophobicContact CB-CD2 4.36Å; V335-L768 HydrophobicContact CG1-CD2 4.1Å; V335-L768 HydrophobicContact CG2-CD2 4.19Å
336	T	84.9	Confident	87	Confident	19 Å²	19	19.5 Å²	19.5	12%	0.117	10%	0.101	C	C	.	.	H	α-helix	trans	-61.6	-44.8	178.1	-53.8	0	0	0	0	111.8	F141 L332 A333 T334 L339 T340	F141-T336 HydrophobicContact CD1-CG2 4.14Å; F141-T336 HydrophobicContact CE1-CG2 3.73Å; L332-T336 PolarHBondContact O-N 3.19Å; L332-T336 PolarHBondContact O-OG1 3.03Å; A333-T336 PolarHBondContact O-N 2.93Å; T334-T336 VanDerWaalsContact C-N 3.29Å; T334-T336 PolarHBondContact O-N 2.7Å; T336-L339 PolarHBondContact O-N 3.43Å; T336-T340 PolarHBondContact O-N 3.01Å; T336-T340 PolarHBondContact O-OG1 3.19Å
337	V	88.9	Confident	87.1	Confident	32 Å²	32	21.5 Å²	21.5	19%	0.194	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-44.8	176.2	173.6	0	0	0	0	110.8	F141 A333 T334 V335 L339 T340 L341 I816	F141-V337 HydrophobicContact CE1-CG2 3.96Å; F141-V337 HydrophobicContact CZ-CG2 3.7Å; A333-V337 VanDerWaalsContact O-CG2 3.3Å; A333-V337 WeakPolarHBondContact O-CG2 3.35Å; A333-V337 PolarHBondContact O-N 3.18Å; T334-V337 PolarHBondContact O-N 3.35Å; T334-V337 VanDerWaalsContact O-N 3.14Å; V335-V337 PolarHBondContact O-N 3.43Å; V337-L339 VanDerWaalsContact C-N 3.34Å; V337-L339 PolarHBondContact O-N 3.2Å; V337-T340 WeakPolarHBondContact O-CA 3.3Å; V337-T340 VanDerWaalsContact O-CB 3.22Å; V337-T340 WeakPolarHBondContact O-CB 3.43Å; V337-T340 PolarHBondContact O-N 2.88Å; V337-T340 VanDerWaalsContact O-N 3.07Å; V337-T340 PolarHBondContact O-OG1 3.39Å; V337-L341 HydrophobicContact CG1-CD1 4Å; V337-L341 HydrophobicContact CG1-CG 4.24Å; V337-L341 VanDerWaalsContact O-CG 3.31Å; V337-L341 WeakPolarHBondContact O-CG 3.44Å; V337-L341 PolarHBondContact O-N 3.41Å; V337-I816 HydrophobicContact CB-CD1 4.27Å; V337-I816 HydrophobicContact CB-CG1 4.32Å; V337-I816 HydrophobicContact CG1-CD1 4.02Å; V337-I816 HydrophobicContact CG1-CG1 4.12Å; V337-I816 HydrophobicContact CG1-CG2 3.73Å; V337-I816 HydrophobicContact CG2-CD1 4.44Å
338	C	91.6	Very high	87.3	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-56.9	-44.7	177.6	-66.7	0	0	0	0	112.1	T334 V335 L341 T342 I764 L768 A819	T334-C338 WeakPolarHBondContact O-CB 3.37Å; T334-C338 PolarHBondContact O-N 3.38Å; T334-C338 PolarHBondContact O-SG 3.07Å; V335-C338 WeakPolarHBondContact O-CB 3.39Å; V335-C338 PolarHBondContact O-N 3.45Å; C338-L341 PolarHBondContact O-N 3.31Å; C338-T342 PolarHBondContact O-N 3.07Å; C338-T342 PolarHBondContact O-OG1 2.79Å; C338-T342 VanDerWaalsContact O-OG1 3.07Å; C338-I764 HydrophobicContact CB-CD1 4.18Å; C338-L768 HydrophobicContact CB-CD2 3.78Å; C338-A819 HydrophobicContact CB-CB 3.82Å
339	L	89.8	Confident	87.5	Confident	9 Å²	9	34.6 Å²	34.6	5%	0.047	17%	0.174	C	C	.	.	H	α-helix	trans	-65.1	-41.6	174	-67.9	173.3	0	0	0	111.8	V335 T336 V337 L341 T342 A343 L356 I764 L768	V335-L339 HydrophobicContact CG1-CD1 4.21Å; V335-L339 WeakPolarHBondContact O-CG 3.47Å; V335-L339 PolarHBondContact O-N 3Å; T336-L339 PolarHBondContact O-N 3.43Å; V337-L339 VanDerWaalsContact C-N 3.34Å; V337-L339 PolarHBondContact O-N 3.2Å; L339-L341 VanDerWaalsContact C-N 3.32Å; L339-L341 PolarHBondContact O-N 3.37Å; L339-T342 PolarHBondContact O-N 2.66Å; L339-A343 WeakPolarHBondContact O-CB 3.49Å; L339-A343 PolarHBondContact O-N 2.64Å; L339-L356 HydrophobicContact CB-CB 4.49Å; L339-I764 HydrophobicContact CD2-CG1 4.17Å; L339-L768 HydrophobicContact CD2-CD1 4.24Å
340	T	87.9	Confident	87.8	Confident	29 Å²	29	37.7 Å²	37.7	18%	0.178	19%	0.191	C	C	.	.	H	α-helix	trans	-56.5	-45.6	175.8	-43	0	0	0	0	112.3	Q145 T336 V337 T342 A343 K344	Q145-T340 VanDerWaalsContact CD-OG1 3.3Å; Q145-T340 PolarHBondContact NE2-OG1 2.88Å; Q145-T340 PolarHBondContact OE1-OG1 2.85Å; T336-T340 PolarHBondContact O-N 3.01Å; T336-T340 PolarHBondContact O-OG1 3.19Å; V337-T340 WeakPolarHBondContact O-CA 3.3Å; V337-T340 VanDerWaalsContact O-CB 3.22Å; V337-T340 WeakPolarHBondContact O-CB 3.43Å; V337-T340 PolarHBondContact O-N 2.88Å; V337-T340 VanDerWaalsContact O-N 3.07Å; V337-T340 PolarHBondContact O-OG1 3.39Å; T340-T342 VanDerWaalsContact C-N 3.29Å; T340-T342 PolarHBondContact O-N 3.08Å; T340-A343 PolarHBondContact O-N 2.95Å; T340-K344 PolarHBondContact O-N 3.28Å
341	L	90.5	Very high	88.2	Confident	32 Å²	32	37.8 Å²	37.8	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-39.1	-177.5	-69.6	173.1	0	0	0	110.7	V337 C338 L339 K344 R345 I816 Y820	V337-L341 HydrophobicContact CG1-CD1 4Å; V337-L341 HydrophobicContact CG1-CG 4.24Å; V337-L341 VanDerWaalsContact O-CG 3.31Å; V337-L341 WeakPolarHBondContact O-CG 3.44Å; V337-L341 PolarHBondContact O-N 3.41Å; C338-L341 PolarHBondContact O-N 3.31Å; L339-L341 VanDerWaalsContact C-N 3.32Å; L339-L341 PolarHBondContact O-N 3.37Å; L341-K344 PolarHBondContact O-N 2.99Å; L341-R345 WeakPolarHBondContact O-CG 3.18Å; L341-R345 PolarHBondContact O-N 2.97Å; L341-I816 HydrophobicContact CD1-CG2 3.9Å; L341-Y820 HydrophobicContact CD1-CD2 4.35Å; L341-Y820 HydrophobicContact CD1-CE2 3.47Å; L341-Y820 VanDerWaalsContact CD1-CE2 3.47Å; L341-Y820 VanDerWaalsContact CD2-OH 3.3Å; L341-Y820 WeakPolarHBondContact CD2-OH 3.03Å; L341-Y820 HydrophobicContact CG-CE2 4.5Å
342	T	91.7	Very high	88.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-71	-41.7	176.6	-50.9	0	0	0	0	111.5	C338 L339 T340 K344 R345 M346 V359 E760 I764	C338-T342 PolarHBondContact O-N 3.07Å; C338-T342 PolarHBondContact O-OG1 2.79Å; C338-T342 VanDerWaalsContact O-OG1 3.07Å; L339-T342 PolarHBondContact O-N 2.66Å; T340-T342 VanDerWaalsContact C-N 3.29Å; T340-T342 PolarHBondContact O-N 3.08Å; T342-K344 VanDerWaalsContact C-N 3.31Å; T342-K344 PolarHBondContact O-N 2.78Å; T342-R345 WeakPolarHBondContact O-CB 3Å; T342-R345 PolarHBondContact O-N 3.14Å; T342-R345 PolarHBondContact OG1-NH2 3.48Å; T342-M346 HydrophobicContact CG2-CE 4.32Å; T342-M346 PolarHBondContact O-N 3.26Å; T342-V359 HydrophobicContact CG2-CG1 3.47Å; T342-V359 VanDerWaalsContact CG2-CG1 3.47Å; T342-E760 HydrophobicContact CG2-CB 4.08Å; T342-I764 HydrophobicContact CG2-CB 4.2Å; T342-I764 WeakPolarHBondContact OG1-CD1 3.2Å
343	A	89.3	Confident	88.8	Confident	13 Å²	13	38.2 Å²	38.2	11%	0.107	19%	0.194	C	C	.	.	H	α-helix	trans	-57.5	-42.4	171.5	0	0	0	0	0	112	L339 T340 R345 M346 A347 V353 L356 V359	L339-A343 WeakPolarHBondContact O-CB 3.49Å; L339-A343 PolarHBondContact O-N 2.64Å; T340-A343 PolarHBondContact O-N 2.95Å; A343-R345 PolarHBondContact O-N 2.87Å; A343-M346 PolarHBondContact O-N 3.38Å; A343-A347 WeakPolarHBondContact O-CB 3.21Å; A343-A347 PolarHBondContact O-N 3Å; A343-V353 HydrophobicContact CB-CB 4.48Å; A343-L356 HydrophobicContact CB-CD2 4.14Å; A343-V359 HydrophobicContact CB-CG2 3.9Å
344	K	88	Confident	88.7	Confident	131 Å²	131	39.4 Å²	39.4	57%	0.57	20%	0.196	S	C	*	.	H	α-helix	trans	-64.6	-36	174.4	-79.8	-174.5	177	178	0	112.9	T340 L341 T342 K348	T340-K344 PolarHBondContact O-N 3.28Å; L341-K344 PolarHBondContact O-N 2.99Å; T342-K344 VanDerWaalsContact C-N 3.31Å; T342-K344 PolarHBondContact O-N 2.78Å; K344-K348 WeakPolarHBondContact O-CG 2.97Å; K344-K348 PolarHBondContact O-N 3.21Å
345	R	89.9	Confident	88.2	Confident	57 Å²	57	41.9 Å²	41.9	22%	0.215	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-42.6	175.3	-77.3	-173.9	-72.8	169.4	-11.8	111.4	L341 T342 A343 K348 E760 A819	L341-R345 WeakPolarHBondContact O-CG 3.18Å; L341-R345 PolarHBondContact O-N 2.97Å; T342-R345 WeakPolarHBondContact O-CB 3Å; T342-R345 PolarHBondContact O-N 3.14Å; T342-R345 PolarHBondContact OG1-NH2 3.48Å; A343-R345 PolarHBondContact O-N 2.87Å; R345-K348 PolarHBondContact O-N 3.03Å; R345-E760 IonicContact CZ-OE2 3.98Å; R345-E760 VanDerWaalsContact CZ-OE2 3.3Å; R345-E760 IonicContact NE-OE2 2.71Å; R345-E760 IonicContact NH1-OE2 2.73Å; R345-E760 PolarHBondContact NH1-OE2 3.31Å; R345-E760 IonicContact NH2-OE2 3.97Å; R345-A819 PolarHBondContact NH2-O 2.78Å
346	M	89.6	Confident	87.9	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-40.5	175.9	-72.6	-170.3	-72.1	0	0	112.5	T342 A343 K348 K349 N350 C351 V353 V359 E760	T342-M346 HydrophobicContact CG2-CE 4.32Å; T342-M346 PolarHBondContact O-N 3.26Å; A343-M346 PolarHBondContact O-N 3.38Å; M346-K348 PolarHBondContact O-N 2.91Å; M346-K349 CarbonylContact O-C 3.54Å; M346-K349 VanDerWaalsContact O-C 3.29Å; M346-K349 WeakPolarHBondContact O-CA 3.23Å; M346-K349 WeakPolarHBondContact O-CB 3.31Å; M346-K349 PolarHBondContact O-N 3.14Å; M346-N350 PolarHBondContact O-N 3.1Å; M346-C351 CarbonylContact C-O 3.22Å; M346-C351 HydrophobicContact CB-CB 4.13Å; M346-C351 PolarHBondContact O-N 3.07Å; M346-V353 HydrophobicContact CE-CG2 3.8Å; M346-V359 HydrophobicContact CE-CB 3.62Å; M346-V359 HydrophobicContact CE-CG1 3.21Å; M346-V359 HydrophobicContact CE-CG2 3.38Å; M346-E760 HydrophobicContact CG-CB 4.28Å; M346-E760 HydrophobicContact CG-CG 4.21Å; M346-E760 HydrophobicContact SD-CB 4.21Å
347	A	88.8	Confident	87.9	Confident	41 Å²	41	45.1 Å²	45.1	34%	0.339	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-33.1	176.8	0	0	0	0	0	112.7	A343 K349 N350 C351	A343-A347 WeakPolarHBondContact O-CB 3.21Å; A343-A347 PolarHBondContact O-N 3Å; A347-K349 PolarHBondContact O-N 3.03Å; A347-N350 PolarHBondContact O-N 3.12Å; A347-C351 VanDerWaalsContact CA-O 3.28Å; A347-C351 WeakPolarHBondContact CA-O 3.23Å; A347-C351 PolarHBondContact N-O 3.05Å; A347-C351 VanDerWaalsContact N-O 3.1Å
348	K	89.9	Confident	87.9	Confident	185 Å²	185	43.7 Å²	43.7	80%	0.804	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.9	172.3	-74.7	-179.8	178.7	-174.5	0	113.5	K344 R345 M346	K344-K348 WeakPolarHBondContact O-CG 2.97Å; K344-K348 PolarHBondContact O-N 3.21Å; R345-K348 PolarHBondContact O-N 3.03Å; M346-K348 PolarHBondContact O-N 2.91Å
349	K	89	Confident	87.7	Confident	93 Å²	93	43.7 Å²	43.7	40%	0.404	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	30.7	175.2	-56.7	178.7	-177	168.8	0	110.7	M346 A347 C351 T756 E760	M346-K349 CarbonylContact O-C 3.54Å; M346-K349 VanDerWaalsContact O-C 3.29Å; M346-K349 WeakPolarHBondContact O-CA 3.23Å; M346-K349 WeakPolarHBondContact O-CB 3.31Å; M346-K349 PolarHBondContact O-N 3.14Å; A347-K349 PolarHBondContact O-N 3.03Å; K349-C351 PolarHBondContact O-N 3.39Å; K349-T756 HydrophobicContact CD-CG2 3.51Å; K349-E760 IonicContact NZ-OE1 3.52Å; K349-E760 PolarHBondContact NZ-OE1 2.93Å
350	N	88.4	Confident	87.9	Confident	73 Å²	73	43.2 Å²	43.2	39%	0.39	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	14.4	179.4	-57.7	-35.6	0	0	0	116.1	M346 A347 L747 D748	M346-N350 PolarHBondContact O-N 3.1Å; A347-N350 PolarHBondContact O-N 3.12Å; N350-L747 HydrophobicContact CB-CB 4.21Å; N350-L747 WeakPolarHBondContact O-CB 3.44Å; N350-L747 PolarHBondContact O-N 3.2Å; N350-D748 HydrophobicContact CB-CB 3.96Å; N350-D748 VanDerWaalsContact CB-CG 3.49Å; N350-D748 WeakPolarHBondContact CB-OD2 3.21Å; N350-D748 PolarHBondContact ND2-OD2 3.24Å
351	C	90.6	Very high	88.2	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	98.2	175.5	-179.5	0	0	0	0	109.6	M346 A347 K349 M744 L746	M346-C351 CarbonylContact C-O 3.22Å; M346-C351 HydrophobicContact CB-CB 4.13Å; M346-C351 PolarHBondContact O-N 3.07Å; A347-C351 VanDerWaalsContact CA-O 3.28Å; A347-C351 WeakPolarHBondContact CA-O 3.23Å; A347-C351 PolarHBondContact N-O 3.05Å; A347-C351 VanDerWaalsContact N-O 3.1Å; K349-C351 PolarHBondContact O-N 3.39Å; C351-M744 PolarHBondContact SG-SD 3.34Å; C351-L746 HydrophobicContact CB-CD2 4.35Å
352	L	89.3	Confident	88.3	Confident	36 Å²	36	40.3 Å²	40.3	19%	0.188	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.2	-177.6	-180	67.3	0	0	0	110.5	I152 M744 I745 L747	I152-L352 HydrophobicContact CG2-CD2 4.33Å; L352-M744 CarbonylContact O-C 3.55Å; L352-M744 WeakPolarHBondContact O-CA 3.45Å; L352-M744 WeakPolarHBondContact O-CG 3.3Å; L352-I745 HydrophobicContact CB-CB 4.42Å; L352-I745 PolarHBondContact N-O 3.45Å; L352-I745 PolarHBondContact O-N 3.34Å; L352-L747 HydrophobicContact CB-CD1 4.17Å; L352-L747 HydrophobicContact CB-CD2 4.28Å; L352-L747 HydrophobicContact CB-CG 4.12Å; L352-L747 HydrophobicContact CD2-CD2 4.31Å
353	V	86.1	Confident	88.4	Confident	17 Å²	17	40.5 Å²	40.5	10%	0.103	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124	-178.9	-179.9	0	0	0	0	110.1	A343 M346 N355 A358 V359 M744	A343-V353 HydrophobicContact CB-CB 4.48Å; M346-V353 HydrophobicContact CE-CG2 3.8Å; V353-N355 WeakPolarHBondContact CG1-O 3.08Å; V353-A358 HydrophobicContact CG1-CB 4.34Å; V353-V359 HydrophobicContact CB-CG2 4.38Å; V353-V359 HydrophobicContact CG1-CG2 3.83Å; V353-V359 HydrophobicContact CG2-CG2 4.12Å; V353-M744 HydrophobicContact CG2-CE 4.05Å; V353-M744 HydrophobicContact CG2-CG 4.4Å
354	K	80.2	Confident	88.7	Confident	42 Å²	42	40 Å²	40	18%	0.183	19%	0.194	C	C	.	.	S	Bend	trans	-85.8	-42.3	176.5	-65.8	167.6	59.4	-173	0	111.7	S149 M153 K739 Q740 A742 D743 I745	S149-K354 VanDerWaalsContact CB-O 3.22Å; S149-K354 WeakPolarHBondContact CB-O 3.42Å; S149-K354 VanDerWaalsContact OG-C 3.23Å; S149-K354 WeakPolarHBondContact OG-CA 2.97Å; S149-K354 PolarHBondContact OG-O 3.1Å; M153-K354 HydrophobicContact CG-CD 4.37Å; M153-K354 HydrophobicContact SD-CD 3.74Å; M153-K354 VanDerWaalsContact SD-CE 3.56Å; M153-K354 HydrophobicContact SD-CG 4.32Å; K354-K739 PolarHBondContact NZ-O 3.11Å; K354-Q740 VanDerWaalsContact NZ-C 3.35Å; K354-Q740 PolarHBondContact NZ-O 3.2Å; K354-A742 WeakPolarHBondContact CD-O 3.36Å; K354-A742 WeakPolarHBondContact CE-O 3.2Å; K354-A742 PolarHBondContact NZ-O 3.46Å; K354-D743 WeakPolarHBondContact CA-O 3.36Å; K354-D743 VanDerWaalsContact CB-O 3.28Å; K354-D743 WeakPolarHBondContact CB-O 2.97Å; K354-D743 PolarHBondContact N-O 3.44Å; K354-I745 HydrophobicContact CD-CD1 4Å; K354-I745 HydrophobicContact CD-CG1 4.25Å
355	N	78.8	Confident	89.1	Confident	54 Å²	54	33.8 Å²	33.8	29%	0.289	17%	0.167	S	C	.	.	S	Bend	trans	-108.1	121.4	174.2	-174.9	-4.7	0	0	0	109.9	V353 E357 A358 D743	V353-N355 WeakPolarHBondContact CG1-O 3.08Å; N355-E357 PolarHBondContact O-N 3.34Å; N355-E357 VanDerWaalsContact O-N 3.14Å; N355-E357 PolarHBondContact OD1-N 3.27Å; N355-A358 HydrophobicContact CB-CB 4.29Å; N355-A358 WeakPolarHBondContact O-CB 3.25Å; N355-A358 PolarHBondContact O-N 3.34Å; N355-D743 PolarHBondContact N-O 3.41Å
356	L	81.8	Confident	89.4	Confident	40 Å²	40	32.5 Å²	32.5	21%	0.209	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30	-178.1	-62.3	153.6	0	0	0	113.1	Q145 L339 A343 A358 V359	Q145-L356 HydrophobicContact CB-CD1 4.21Å; Q145-L356 HydrophobicContact CG-CD1 3.67Å; Q145-L356 HydrophobicContact CG-CD2 4.47Å; L339-L356 HydrophobicContact CB-CB 4.49Å; A343-L356 HydrophobicContact CB-CD2 4.14Å; L356-A358 PolarHBondContact O-N 3.46Å; L356-V359 WeakPolarHBondContact O-CB 3.29Å; L356-V359 WeakPolarHBondContact O-CG2 3.29Å; L356-V359 PolarHBondContact O-N 3.16Å
357	E	86.5	Confident	89.8	Confident	58 Å²	58	32.7 Å²	32.7	27%	0.271	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.8	177.4	-65	-178.5	176.1	0	0	112.2	T277 I279 N355 V359 E360 T361	T277-E357 HydrophobicContact CG2-CB 3.87Å; T277-E357 WeakPolarHBondContact CG2-OE2 3.32Å; T277-E357 PolarHBondContact OG1-OE2 3.21Å; I279-E357 HydrophobicContact CG2-CB 3.49Å; I279-E357 VanDerWaalsContact CG2-CB 3.49Å; I279-E357 HydrophobicContact CG2-CG 3.77Å; N355-E357 PolarHBondContact O-N 3.34Å; N355-E357 VanDerWaalsContact O-N 3.14Å; N355-E357 PolarHBondContact OD1-N 3.27Å; E357-V359 PolarHBondContact O-N 3.18Å; E357-E360 PolarHBondContact O-N 3.06Å; E357-T361 PolarHBondContact O-N 3.04Å; E357-T361 PolarHBondContact O-OG1 2.87Å
358	A	87.5	Confident	90.2	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-21.3	176.8	0	0	0	0	0	112.3	V353 N355 L356 E360 T361 L362 I726 D743	V353-A358 HydrophobicContact CG1-CB 4.34Å; N355-A358 HydrophobicContact CB-CB 4.29Å; N355-A358 WeakPolarHBondContact O-CB 3.25Å; N355-A358 PolarHBondContact O-N 3.34Å; L356-A358 PolarHBondContact O-N 3.46Å; A358-E360 VanDerWaalsContact C-N 3.33Å; A358-E360 PolarHBondContact O-N 2.91Å; A358-T361 PolarHBondContact O-N 2.8Å; A358-L362 PolarHBondContact O-N 3.28Å; A358-I726 HydrophobicContact CB-CD1 3.86Å; A358-I726 HydrophobicContact CB-CG1 4.11Å; A358-I726 VanDerWaalsContact O-CD1 3.29Å; A358-I726 WeakPolarHBondContact O-CD1 3.49Å; A358-D743 HydrophobicContact CB-CB 3.87Å
359	V	88.4	Confident	90.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.9	-47	174.7	173.6	0	0	0	0	111.8	T342 A343 M346 V353 L356 E357 G761 I764	T342-V359 HydrophobicContact CG2-CG1 3.47Å; T342-V359 VanDerWaalsContact CG2-CG1 3.47Å; A343-V359 HydrophobicContact CB-CG2 3.9Å; M346-V359 HydrophobicContact CE-CB 3.62Å; M346-V359 HydrophobicContact CE-CG1 3.21Å; M346-V359 HydrophobicContact CE-CG2 3.38Å; V353-V359 HydrophobicContact CB-CG2 4.38Å; V353-V359 HydrophobicContact CG1-CG2 3.83Å; V353-V359 HydrophobicContact CG2-CG2 4.12Å; L356-V359 WeakPolarHBondContact O-CB 3.29Å; L356-V359 WeakPolarHBondContact O-CG2 3.29Å; L356-V359 PolarHBondContact O-N 3.16Å; E357-V359 PolarHBondContact O-N 3.18Å; V359-G761 VanDerWaalsContact O-CA 3.25Å; V359-G761 WeakPolarHBondContact O-CA 3.33Å; V359-I764 HydrophobicContact CG1-CG2 4.2Å
360	E	94.7	Very high	90.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-79.2	-34.1	-179.8	179.9	-83.3	167.1	0	0	111.6	I279 E357 A358 L362 G363 S364 I764 F765 R833	I279-E360 HydrophobicContact CB-CB 4.17Å; I279-E360 HydrophobicContact CB-CG 4.21Å; I279-E360 WeakPolarHBondContact CB-OE2 3.44Å; I279-E360 HydrophobicContact CD1-CG 4.29Å; I279-E360 PolarHBondContact N-OE2 3.03Å; E357-E360 PolarHBondContact O-N 3.06Å; A358-E360 VanDerWaalsContact C-N 3.33Å; A358-E360 PolarHBondContact O-N 2.91Å; E360-L362 PolarHBondContact O-N 2.89Å; E360-L362 VanDerWaalsContact O-N 3.15Å; E360-G363 WeakPolarHBondContact O-CA 3.28Å; E360-G363 PolarHBondContact O-N 3.48Å; E360-S364 PolarHBondContact O-N 3.18Å; E360-S364 PolarHBondContact OE1-OG 3.12Å; E360-I764 HydrophobicContact CB-CG2 4.23Å; E360-F765 HydrophobicContact CG-CB 4.25Å; E360-F765 HydrophobicContact CG-CD2 4.07Å; E360-F765 WeakPolarHBondContact OE1-CD2 3.18Å; E360-R833 IonicContact OE1-CZ 3.76Å; E360-R833 IonicContact OE1-NE 3.13Å; E360-R833 PolarHBondContact OE1-NE 2.99Å; E360-R833 IonicContact OE1-NH2 2.87Å; E360-R833 PolarHBondContact OE1-NH2 3.45Å
361	T	93.9	Very high	91.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.4	-37.9	-174.7	-55.6	0	0	0	0	111.8	P278 E357 A358 G363 S364 T365 I707 D725 I726	P278-T361 WeakPolarHBondContact CD-OG1 3.47Å; P278-T361 HydrophobicContact CG-CG2 3.98Å; E357-T361 PolarHBondContact O-N 3.04Å; E357-T361 PolarHBondContact O-OG1 2.87Å; A358-T361 PolarHBondContact O-N 2.8Å; T361-G363 VanDerWaalsContact C-N 3.32Å; T361-G363 PolarHBondContact O-N 3.5Å; T361-S364 CarbonylContact O-C 3.47Å; T361-S364 PolarHBondContact O-N 2.81Å; T361-T365 PolarHBondContact O-N 3.2Å; T361-T365 VanDerWaalsContact O-N 3.07Å; T361-T365 PolarHBondContact O-OG1 2.62Å; T361-I707 HydrophobicContact CG2-CG2 4.05Å; T361-D725 HydrophobicContact CG2-CB 4.1Å; T361-I726 HydrophobicContact CG2-CB 3.75Å; T361-I726 HydrophobicContact CG2-CG2 3.87Å
362	L	92.9	Very high	91.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-33.7	177.2	-162.5	57.2	0	0	0	112.7	A358 E360 S364 T365 A709 I726 M744 I754 V758	A358-L362 PolarHBondContact O-N 3.28Å; E360-L362 PolarHBondContact O-N 2.89Å; E360-L362 VanDerWaalsContact O-N 3.15Å; L362-S364 VanDerWaalsContact C-N 3.3Å; L362-S364 PolarHBondContact O-N 3.36Å; L362-T365 WeakPolarHBondContact CA-OG1 3.26Å; L362-T365 VanDerWaalsContact O-CB 3.3Å; L362-T365 WeakPolarHBondContact O-CB 3.23Å; L362-T365 PolarHBondContact O-N 3.39Å; L362-T365 PolarHBondContact O-OG1 3.02Å; L362-A709 HydrophobicContact CD1-CB 4.22Å; L362-I726 HydrophobicContact CB-CD1 3.95Å; L362-I726 HydrophobicContact CD1-CD1 4.36Å; L362-I726 HydrophobicContact CD1-CG2 4.33Å; L362-M744 HydrophobicContact CD2-CE 3.94Å; L362-M744 HydrophobicContact CD2-SD 3.96Å; L362-I754 HydrophobicContact CD1-CG2 4.4Å; L362-V758 HydrophobicContact CD1-CG2 4.28Å; L362-V758 HydrophobicContact CG-CG2 3.91Å
363	G	93.8	Very high	91.3	Very high	4 Å²	4	13 Å²	13	4%	0.041	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-28.3	174.4	0	0	0	0	0	114	E360 T361 V758 R762	E360-G363 WeakPolarHBondContact O-CA 3.28Å; E360-G363 PolarHBondContact O-N 3.48Å; T361-G363 VanDerWaalsContact C-N 3.32Å; T361-G363 PolarHBondContact O-N 3.5Å; G363-V758 WeakPolarHBondContact CA-O 3.46Å; G363-R762 VanDerWaalsContact O-CG 3.24Å; G363-R762 WeakPolarHBondContact O-CG 3.48Å; G363-R762 PolarHBondContact O-NE 3.35Å
364	S	95.5	Very high	91.4	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.021	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.5	177.4	-67.5	0	0	0	0	113.7	E360 T361 L362 S366 I707 R833	E360-S364 PolarHBondContact O-N 3.18Å; E360-S364 PolarHBondContact OE1-OG 3.12Å; T361-S364 CarbonylContact O-C 3.47Å; T361-S364 PolarHBondContact O-N 2.81Å; L362-S364 VanDerWaalsContact C-N 3.3Å; L362-S364 PolarHBondContact O-N 3.36Å; S364-S366 PolarHBondContact O-N 3.15Å; S364-I707 WeakPolarHBondContact O-CB 3.32Å; S364-R833 PolarHBondContact OG-NE 3.17Å; S364-R833 PolarHBondContact OG-NH2 2.98Å
365	T	96.3	Very high	91.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.056	C	C	.	.			trans	-66	128.6	-178.5	-65.9	0	0	0	0	111.1	T361 L362 T367 I368 I605 A709 P832	T361-T365 PolarHBondContact O-N 3.2Å; T361-T365 VanDerWaalsContact O-N 3.07Å; T361-T365 PolarHBondContact O-OG1 2.62Å; L362-T365 WeakPolarHBondContact CA-OG1 3.26Å; L362-T365 VanDerWaalsContact O-CB 3.3Å; L362-T365 WeakPolarHBondContact O-CB 3.23Å; L362-T365 PolarHBondContact O-N 3.39Å; L362-T365 PolarHBondContact O-OG1 3.02Å; T365-T367 VanDerWaalsContact CG2-O 3.28Å; T365-T367 WeakPolarHBondContact CG2-O 3.22Å; T365-I368 HydrophobicContact CG2-CG1 3.99Å; T365-I605 HydrophobicContact CG2-CG2 4.45Å; T365-A709 HydrophobicContact CG2-CB 3.58Å; T365-P832 WeakPolarHBondContact O-CB 3.28Å
366	S	95.9	Very high	92.7	Very high	30 Å²	30	7.6 Å²	7.6	21%	0.21	4%	0.043	C	C	.	.			trans	-107.3	-18.5	175.7	59	0	0	0	0	112.9	S364 K606 A706 I707	S364-S366 PolarHBondContact O-N 3.15Å; S366-K606 PolarHBondContact O-N 3.28Å; S366-A706 WeakPolarHBondContact OG-CA 3.41Å; S366-A706 WeakPolarHBondContact OG-CB 3.49Å; S366-I707 PolarHBondContact N-O 3.35Å; S366-I707 PolarHBondContact OG-N 3.22Å; S366-I707 VanDerWaalsContact OG-N 3.13Å; S366-I707 PolarHBondContact OG-O 3.49Å
367	T	96.9	Very high	93.2	Very high	5 Å²	5	5.7 Å²	5.7	3%	0.031	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.2	179.8	-56	0	0	0	0	110.7	T365 K606 I608 I707 V708 A709	T365-T367 VanDerWaalsContact CG2-O 3.28Å; T365-T367 WeakPolarHBondContact CG2-O 3.22Å; T367-K606 CarbonylContact C-O 3.53Å; T367-K606 VanDerWaalsContact CA-O 3.22Å; T367-K606 WeakPolarHBondContact CA-O 3.31Å; T367-K606 HydrophobicContact CG2-CB 4.38Å; T367-I608 HydrophobicContact CG2-CD1 3.85Å; T367-I608 HydrophobicContact CG2-CG1 4.27Å; T367-I707 PolarHBondContact N-O 3.49Å; T367-V708 WeakPolarHBondContact O-CA 3.22Å; T367-A709 PolarHBondContact O-N 3.17Å
368	I	97.6	Very high	93.4	Very high	1 Å²	1	3.7 Å²	3.7	1%	0.005	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.8	171.8	-66.4	165.8	0	0	0	107.7	T365 C600 I605 K606 V607 I608 A709 T711 I754	T365-I368 HydrophobicContact CG2-CG1 3.99Å; I368-C600 HydrophobicContact CD1-CB 4.27Å; I368-I605 HydrophobicContact CB-CG2 4.42Å; I368-I605 HydrophobicContact CD1-CG2 3.78Å; I368-I605 HydrophobicContact CG1-CG2 3.75Å; I368-K606 PolarHBondContact N-O 2.99Å; I368-V607 WeakPolarHBondContact O-CA 3.33Å; I368-I608 PolarHBondContact O-N 2.83Å; I368-A709 CarbonylContact C-O 3.53Å; I368-A709 WeakPolarHBondContact CA-O 3.42Å; I368-A709 HydrophobicContact CG1-CB 4.19Å; I368-T711 HydrophobicContact CG2-CG2 4.46Å; I368-I754 HydrophobicContact CD1-CG2 4.04Å
369	C	97.6	Very high	93.3	Very high	4 Å²	4	6.1 Å²	6.1	3%	0.027	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	111	167	-68.4	0	0	0	0	107.9	I608 V610 A709 V710 T711	C369-I608 CarbonylContact C-O 3.51Å; C369-I608 WeakPolarHBondContact CA-O 3.49Å; C369-V610 HydrophobicContact CB-CG2 4.14Å; C369-A709 PolarHBondContact N-O 3.36Å; C369-V710 HydrophobicContact CB-CG2 4.09Å; C369-V710 VanDerWaalsContact O-CA 3.27Å; C369-V710 WeakPolarHBondContact O-CA 3.28Å; C369-T711 PolarHBondContact O-N 3.32Å
370	S	97.2	Very high	93.2	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135	-178.2	-169.7	0	0	0	0	111.5	T375 L376 I608 M609 V610 T711	S370-T375 WeakPolarHBondContact OG-CG2 3.35Å; S370-L376 WeakPolarHBondContact OG-CG 3.28Å; S370-I608 PolarHBondContact N-O 2.79Å; S370-M609 WeakPolarHBondContact O-CA 3.46Å; S370-V610 PolarHBondContact O-N 3.31Å; S370-T711 VanDerWaalsContact CA-OG1 3.25Å; S370-T711 WeakPolarHBondContact CA-OG1 3.38Å; S370-T711 WeakPolarHBondContact CB-OG1 3.24Å; S370-T711 PolarHBondContact OG-OG1 3.01Å
371	D	95.4	Very high	93	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.011	6%	0.055	C	C	.	.			trans	-65.9	157.6	159.2	-169.7	57.1	0	0	0	110.6	T373 T375 L376 K692 T711	D371-T373 PolarHBondContact OD2-N 2.88Å; D371-T375 WeakPolarHBondContact O-CB 3.42Å; D371-L376 WeakPolarHBondContact O-CD1 3.36Å; D371-L376 VanDerWaalsContact O-CG 3.3Å; D371-L376 WeakPolarHBondContact O-CG 3.34Å; D371-K692 IonicContact OD1-NZ 3Å; D371-K692 PolarHBondContact OD1-NZ 3.4Å; D371-T711 PolarHBondContact N-O 2.93Å
372	K	93.2	Very high	92.9	Very high	6 Å²	6	11 Å²	11	3%	0.026	6%	0.058	C	C	.	.	I	π-helix	trans	-90.2	-58	179.2	-175.6	-135.3	59.4	134.9	0	111.1	L376 T377 D587 M609 T611 D613 I621	K372-L376 PolarHBondContact O-N 2.86Å; K372-T377 HydrophobicContact CD-CG2 4.43Å; K372-T377 HydrophobicContact CG-CG2 4.11Å; K372-T377 PolarHBondContact O-N 3.26Å; K372-T377 PolarHBondContact O-OG1 2.96Å; K372-T377 VanDerWaalsContact O-OG1 3.11Å; K372-D587 IonicContact NZ-OD2 3.43Å; K372-M609 HydrophobicContact CB-CE 4.43Å; K372-M609 HydrophobicContact CB-CG 4.31Å; K372-M609 HydrophobicContact CB-SD 4Å; K372-M609 HydrophobicContact CG-CE 4.17Å; K372-M609 HydrophobicContact CG-SD 4.08Å; K372-T611 HydrophobicContact CB-CG2 4.28Å; K372-D613 HydrophobicContact CD-CB 4.34Å; K372-D613 WeakPolarHBondContact CD-OD2 3.48Å; K372-D613 WeakPolarHBondContact CE-OD2 3.42Å; K372-D613 IonicContact NZ-OD2 3.38Å; K372-D613 PolarHBondContact NZ-OD2 3.23Å; K372-I621 HydrophobicContact CD-CB 4.42Å; K372-I621 HydrophobicContact CD-CG1 4.27Å; K372-I621 HydrophobicContact CD-CG2 4.42Å; K372-I621 HydrophobicContact CG-CB 4.37Å; K372-I621 HydrophobicContact CG-CG2 3.9Å
373	T	87.9	Confident	93	Very high	4 Å²	4	11.1 Å²	11.1	3%	0.025	6%	0.059	C	C	.	.	I	π-helix	trans	-75.9	130.5	-168.2	-56.8	0	0	0	0	109.7	G215 D371 T375 T377 N379	G215-T373 WeakPolarHBondContact O-CB 3.4Å; G215-T373 VanDerWaalsContact O-CG2 3.22Å; G215-T373 WeakPolarHBondContact O-CG2 3.2Å; G215-T373 PolarHBondContact O-OG1 3.28Å; D371-T373 PolarHBondContact OD2-N 2.88Å; T373-T375 PolarHBondContact O-N 3.23Å; T373-T377 VanDerWaalsContact CA-OG1 3.3Å; T373-T377 WeakPolarHBondContact CA-OG1 3.5Å; T373-N379 HydrophobicContact CG2-CB 4.06Å; T373-N379 VanDerWaalsContact CG2-OD1 3.32Å; T373-N379 WeakPolarHBondContact CG2-OD1 3.43Å
374	G	86.9	Confident	93	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	70.3	-15.8	177.2	0	0	0	0	0	116	T377 R590 D713	G374-T377 CarbonylContact C-O 3.5Å; G374-T377 VanDerWaalsContact CA-O 3.26Å; G374-T377 WeakPolarHBondContact CA-O 3.04Å; G374-T377 PolarHBondContact N-O 2.83Å; G374-T377 PolarHBondContact N-OG1 2.83Å; G374-R590 PolarHBondContact O-NH2 3.01Å; G374-D713 WeakPolarHBondContact CA-OD2 3.3Å
375	T	92.1	Very high	93	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-96.4	-67.9	172	-57.7	0	0	0	0	111.2	S370 D371 T373 G712 D713 M730 F751	S370-T375 WeakPolarHBondContact OG-CG2 3.35Å; D371-T375 WeakPolarHBondContact O-CB 3.42Å; T373-T375 PolarHBondContact O-N 3.23Å; T375-G712 VanDerWaalsContact OG1-CA 3.3Å; T375-G712 WeakPolarHBondContact OG1-CA 3.43Å; T375-D713 PolarHBondContact OG1-N 3.28Å; T375-M730 HydrophobicContact CG2-SD 4.49Å; T375-F751 HydrophobicContact CG2-CD2 4.36Å; T375-F751 HydrophobicContact CG2-CE2 4.17Å
376	L	94.4	Very high	93	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-81.2	-36.8	175.9	-65.6	171.4	0	0	0	111.5	S370 D371 K372 P589 R590 V593 V597 M609 I627 F751	S370-L376 WeakPolarHBondContact OG-CG 3.28Å; D371-L376 WeakPolarHBondContact O-CD1 3.36Å; D371-L376 VanDerWaalsContact O-CG 3.3Å; D371-L376 WeakPolarHBondContact O-CG 3.34Å; K372-L376 PolarHBondContact O-N 2.86Å; L376-P589 WeakPolarHBondContact O-CA 3.45Å; L376-R590 PolarHBondContact O-N 2.87Å; L376-V593 HydrophobicContact CB-CG1 4.21Å; L376-V593 HydrophobicContact CD2-CG1 3.59Å; L376-V593 HydrophobicContact CG-CG1 4.5Å; L376-V593 WeakPolarHBondContact O-CG2 3.41Å; L376-V597 HydrophobicContact CD2-CG2 4.41Å; L376-M609 HydrophobicContact CD1-CE 3.85Å; L376-I627 HydrophobicContact CD1-CD1 3.91Å; L376-F751 HydrophobicContact CD2-CD2 4.16Å; L376-F751 HydrophobicContact CD2-CE1 4.37Å; L376-F751 HydrophobicContact CD2-CE2 3.7Å; L376-F751 HydrophobicContact CD2-CZ 3.82Å
377	T	92.5	Very high	93	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-98.7	167.7	177.4	66.8	0	0	0	0	111.7	K372 T373 G374 N379 D587 P588 R590 I621	K372-T377 HydrophobicContact CD-CG2 4.43Å; K372-T377 HydrophobicContact CG-CG2 4.11Å; K372-T377 PolarHBondContact O-N 3.26Å; K372-T377 PolarHBondContact O-OG1 2.96Å; K372-T377 VanDerWaalsContact O-OG1 3.11Å; T373-T377 VanDerWaalsContact CA-OG1 3.3Å; T373-T377 WeakPolarHBondContact CA-OG1 3.5Å; G374-T377 CarbonylContact C-O 3.5Å; G374-T377 VanDerWaalsContact CA-O 3.26Å; G374-T377 WeakPolarHBondContact CA-O 3.04Å; G374-T377 PolarHBondContact N-O 2.83Å; G374-T377 PolarHBondContact N-OG1 2.83Å; T377-N379 PolarHBondContact O-N 3.15Å; T377-D587 VanDerWaalsContact CB-CG 3.47Å; T377-D587 WeakPolarHBondContact CB-OD1 3.44Å; T377-D587 VanDerWaalsContact CB-OD2 3.23Å; T377-D587 WeakPolarHBondContact CB-OD2 3.28Å; T377-D587 WeakPolarHBondContact CG2-O 3.48Å; T377-D587 VanDerWaalsContact OG1-CG 3.24Å; T377-D587 PolarHBondContact OG1-OD1 3.32Å; T377-D587 PolarHBondContact OG1-OD2 3.45Å; T377-P588 CarbonylContact C-O 3.57Å; T377-P588 WeakPolarHBondContact CA-O 3.47Å; T377-P588 VanDerWaalsContact CB-O 3.26Å; T377-P588 WeakPolarHBondContact CB-O 3.43Å; T377-R590 PolarHBondContact O-NE 3.38Å; T377-I621 HydrophobicContact CG2-CD1 4.28Å; T377-I621 HydrophobicContact CG2-CG1 4.47Å; T377-I621 HydrophobicContact CG2-CG2 3.96Å
378	Q	89.8	Confident	92.9	Very high	17 Å²	17	11.4 Å²	11.4	8%	0.079	6%	0.055	C	C	.	.			trans	-77.5	-5.5	-177.7	-63.8	174.2	37.8	0	0	113.3	R380 T397 D587 P588 P589 R590	Q378-R380 HydrophobicContact CB-CB 4.48Å; Q378-R380 PolarHBondContact O-N 3.09Å; Q378-T397 PolarHBondContact NE2-O 2.92Å; Q378-D587 PolarHBondContact N-OD1 3.35Å; Q378-P588 PolarHBondContact N-O 3.06Å; Q378-P589 PolarHBondContact NE2-O 2.86Å; Q378-R590 HydrophobicContact CG-CB 4.46Å; Q378-R590 HydrophobicContact CG-CG 3.82Å
379	N	86.3	Confident	92.8	Very high	53 Å²	53	12 Å²	12	28%	0.283	6%	0.059	S	C	.	.	S	Bend	trans	53.8	40.3	-169.8	-164.6	8.6	0	0	0	112.5	S217 T373 T377 D587	S217-N379 WeakPolarHBondContact CB-OD1 3.44Å; S217-N379 PolarHBondContact OG-ND2 2.82Å; S217-N379 PolarHBondContact OG-OD1 3.22Å; T373-N379 HydrophobicContact CG2-CB 4.06Å; T373-N379 VanDerWaalsContact CG2-OD1 3.32Å; T373-N379 WeakPolarHBondContact CG2-OD1 3.43Å; T377-N379 PolarHBondContact O-N 3.15Å; N379-D587 VanDerWaalsContact CA-OD1 3.28Å; N379-D587 WeakPolarHBondContact CA-OD1 3.42Å; N379-D587 PolarHBondContact N-OD1 3.21Å
380	R	86.9	Confident	92.6	Very high	44 Å²	44	15.2 Å²	15.2	17%	0.166	8%	0.076	C	C	.	.	S	Bend	trans	-148.4	115.9	-177.2	-172.6	-175.3	69.6	-135.8	-10.9	111	Q378 T382 L438 D587 P588	Q378-R380 HydrophobicContact CB-CB 4.48Å; Q378-R380 PolarHBondContact O-N 3.09Å; R380-T382 PolarHBondContact O-N 3.25Å; R380-T382 PolarHBondContact O-OG1 3.16Å; R380-L438 WeakPolarHBondContact CD-O 3.26Å; R380-L438 PolarHBondContact NH1-O 3.35Å; R380-D587 PolarHBondContact N-OD1 2.78Å; R380-P588 VanDerWaalsContact O-CD 3.23Å; R380-P588 WeakPolarHBondContact O-CD 3.4Å
381	M	89.5	Confident	92.4	Very high	48 Å²	48	20.8 Å²	20.8	24%	0.236	10%	0.101	C	C	.	.			trans	-55.9	123.5	171.7	-165.1	60.1	60.9	0	0	110.2	A446 A450 M585 I586	M381-A446 HydrophobicContact CB-CB 4.01Å; M381-A450 HydrophobicContact CB-CB 4.23Å; M381-A450 HydrophobicContact CG-CB 3.97Å; M381-A450 WeakPolarHBondContact O-CB 3.45Å; M381-M585 HydrophobicContact CG-CB 4.04Å; M381-M585 HydrophobicContact CG-CG 3.88Å; M381-M585 HydrophobicContact CG-SD 3.81Å; M381-M585 HydrophobicContact SD-CB 3.84Å; M381-M585 HydrophobicContact SD-CG 3.67Å; M381-M585 HydrophobicContact SD-SD 4.35Å; M381-I586 VanDerWaalsContact SD-CA 3.59Å
382	T	92.9	Very high	92.4	Very high	10 Å²	10	23.5 Å²	23.5	6%	0.061	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.9	-174.6	-54.5	0	0	0	0	108.3	R380 A384 M585 I586	R380-T382 PolarHBondContact O-N 3.25Å; R380-T382 PolarHBondContact O-OG1 3.16Å; T382-A384 PolarHBondContact O-N 2.87Å; T382-M585 CarbonylContact O-C 3.53Å; T382-M585 WeakPolarHBondContact O-CA 3.29Å; T382-M585 VanDerWaalsContact O-CB 3.31Å; T382-M585 WeakPolarHBondContact O-CB 3.42Å; T382-I586 PolarHBondContact N-O 2.94Å; T382-I586 PolarHBondContact O-N 3.23Å; T382-I586 VanDerWaalsContact O-O 3.08Å
383	V	95.1	Very high	92.5	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	128.2	176.4	172.3	0	0	0	0	108.9	M386 A395 A450 L451 C454 I583 S584	V383-M386 HydrophobicContact CG1-CG 4.19Å; V383-M386 HydrophobicContact CG1-SD 4.32Å; V383-A395 HydrophobicContact CG1-CB 4.27Å; V383-A450 HydrophobicContact CG2-CB 4.49Å; V383-L451 HydrophobicContact CG2-CD2 4.11Å; V383-C454 HydrophobicContact CB-CB 3.95Å; V383-C454 HydrophobicContact CG2-CB 3.64Å; V383-I583 HydrophobicContact CB-CG2 4.31Å; V383-I583 HydrophobicContact CG1-CG2 3.47Å; V383-I583 VanDerWaalsContact CG1-CG2 3.47Å; V383-I583 HydrophobicContact CG2-CG2 3.89Å; V383-S584 WeakPolarHBondContact CA-O 3.34Å
384	A	93.4	Very high	92.7	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-53.8	-176.1	0	0	0	0	0	111.8	T382 A395 T397 E544 S584 I586	T382-A384 PolarHBondContact O-N 2.87Å; A384-A395 WeakPolarHBondContact O-CB 3.27Å; A384-A395 PolarHBondContact O-N 2.78Å; A384-T397 HydrophobicContact CB-CG2 3.99Å; A384-E544 VanDerWaalsContact CB-OE1 3.29Å; A384-E544 WeakPolarHBondContact CB-OE1 3.37Å; A384-S584 PolarHBondContact N-O 2.98Å; A384-I586 HydrophobicContact CB-CG2 3.86Å
385	H	95.4	Very high	92.9	Very high	31 Å²	31	30.7 Å²	30.7	14%	0.144	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	159	176.8	-55.8	87.9	0	0	0	112.3	I392 H393 L539 E544 S584	H385-I392 HydrophobicContact CB-CG2 3.99Å; H385-H393 CarbonylContact C-O 3.58Å; H385-H393 VanDerWaalsContact CA-O 3.23Å; H385-H393 WeakPolarHBondContact CA-O 3.43Å; H385-L539 HydrophobicContact CB-CD2 3.53Å; H385-E544 IonicContact CE1-OE1 3.21Å; H385-E544 PolarHBondContact CE1-OE1 2.91Å; H385-E544 IonicContact CE1-OE2 3.87Å; H385-E544 IonicContact CG-OE2 2.6Å; H385-E544 IonicContact ND1-OE1 2.78Å; H385-E544 PolarHBondContact ND1-OE1 3.47Å; H385-E544 IonicContact ND1-OE2 2.67Å; H385-E544 PolarHBondContact ND1-OE2 3.39Å; H385-S584 WeakPolarHBondContact CA-OG 3.35Å; H385-S584 VanDerWaalsContact CB-OG 3.3Å; H385-S584 WeakPolarHBondContact CB-OG 3.3Å; H385-S584 PolarHBondContact N-OG 2.53Å; H385-S584 VanDerWaalsContact N-OG 3.09Å; H385-S584 PolarHBondContact O-N 3.45Å; H385-S584 PolarHBondContact O-OG 2.79Å
386	M	95.6	Very high	92.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.4	174.7	-64.9	153.7	-65.1	0	0	108.3	V383 F388 I392 H393 A395 F406 W413 L582 I583	V383-M386 HydrophobicContact CG1-CG 4.19Å; V383-M386 HydrophobicContact CG1-SD 4.32Å; M386-F388 HydrophobicContact CB-CD1 4.13Å; M386-F388 HydrophobicContact CB-CE1 4.17Å; M386-I392 WeakPolarHBondContact O-CA 3.4Å; M386-H393 HydrophobicContact CB-CB 4.5Å; M386-H393 HydrophobicContact CE-CB 4.34Å; M386-H393 PolarHBondContact N-O 2.89Å; M386-H393 PolarHBondContact O-N 2.98Å; M386-A395 HydrophobicContact CE-CB 3.79Å; M386-F406 HydrophobicContact CE-CD1 3.57Å; M386-F406 HydrophobicContact CE-CD2 3.93Å; M386-F406 HydrophobicContact CE-CE1 3.43Å; M386-F406 VanDerWaalsContact CE-CE1 3.43Å; M386-F406 HydrophobicContact CE-CE2 3.78Å; M386-F406 HydrophobicContact CE-CG 3.83Å; M386-F406 HydrophobicContact CE-CZ 3.53Å; M386-F406 HydrophobicContact SD-CE1 4.19Å; M386-F406 HydrophobicContact SD-CE2 4.09Å; M386-F406 HydrophobicContact SD-CZ 3.78Å; M386-W413 HydrophobicContact CG-CZ3 4.46Å; M386-W413 HydrophobicContact SD-CE3 4.3Å; M386-W413 HydrophobicContact SD-CH2 3.72Å; M386-W413 HydrophobicContact SD-CZ3 3.36Å; M386-W413 WeakPolarHBondContact SD-CZ3 3.49Å; M386-L582 CarbonylContact C-O 3.5Å; M386-L582 VanDerWaalsContact CA-O 3.3Å; M386-L582 WeakPolarHBondContact CA-O 3.47Å; M386-I583 HydrophobicContact CG-CB 4.45Å; M386-I583 HydrophobicContact CG-CG1 4.14Å; M386-I583 HydrophobicContact CG-CG2 4.04Å
387	W	96.7	Very high	92.7	Very high	9 Å²	9	33.4 Å²	33.4	3%	0.034	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	113.1	173.5	-177.5	79.2	0	0	0	109.4	Q391 I515 A531 F532 A535 F579 G581 L582	W387-Q391 WeakPolarHBondContact CA-O 3.41Å; W387-I515 HydrophobicContact CH2-CD1 4.2Å; W387-I515 HydrophobicContact CZ3-CD1 4.38Å; W387-A531 HydrophobicContact CZ2-CB 4.36Å; W387-F532 HydrophobicContact CH2-CB 3.98Å; W387-F532 HydrophobicContact CZ3-CB 4.23Å; W387-F532 AromaticContact CZ3-CD2 3.99Å; W387-F532 HydrophobicContact CZ3-CD2 3.99Å; W387-A535 HydrophobicContact CD2-CB 4.08Å; W387-A535 HydrophobicContact CG-CB 3.83Å; W387-F579 HydrophobicContact CE3-CE1 4.1Å; W387-F579 HydrophobicContact CZ3-CD1 4.37Å; W387-F579 AromaticContact CZ3-CE1 3.67Å; W387-F579 HydrophobicContact CZ3-CE1 3.67Å; W387-G581 CarbonylContact O-C 3.58Å; W387-G581 WeakPolarHBondContact O-CA 3.43Å; W387-L582 HydrophobicContact CB-CB 3.96Å; W387-L582 HydrophobicContact CB-CD1 4.32Å; W387-L582 HydrophobicContact CB-CG 4.4Å; W387-L582 HydrophobicContact CE3-CD1 4.22Å; W387-L582 HydrophobicContact CE3-CG 4.11Å; W387-L582 PolarHBondContact N-O 3.47Å; W387-L582 PolarHBondContact O-N 3.36Å
388	F	95.4	Very high	92.4	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	161.3	172.4	62.4	-92.4	0	0	0	108.7	M386 N390 Q391 H393 F406 T412 W413 L416	M386-F388 HydrophobicContact CB-CD1 4.13Å; M386-F388 HydrophobicContact CB-CE1 4.17Å; F388-N390 PolarHBondContact O-N 3.05Å; F388-Q391 PolarHBondContact N-O 3.33Å; F388-Q391 PolarHBondContact O-N 3.11Å; F388-Q391 VanDerWaalsContact O-O 3.13Å; F388-H393 AromaticContact CD1-CD2 3.62Å; F388-H393 AromaticContact CD2-NE2 3.86Å; F388-H393 HydrophobicContact CE1-CB 4.2Å; F388-H393 AromaticContact CE1-CD2 3.23Å; F388-H393 WeakPolarHBondContact CE1-CD2 3.5Å; F388-H393 AromaticContact CE1-CG 3.75Å; F388-H393 AromaticContact CE1-NE2 3.81Å; F388-H393 AromaticContact CE2-CD2 3.8Å; F388-H393 AromaticContact CE2-NE2 3.44Å; F388-H393 WeakPolarHBondContact CE2-NE2 3.41Å; F388-H393 AromaticContact CZ-CD2 3.33Å; F388-H393 WeakPolarHBondContact CZ-CD2 3.44Å; F388-H393 AromaticContact CZ-CE1 3.92Å; F388-H393 AromaticContact CZ-CG 3.79Å; F388-H393 AromaticContact CZ-NE2 3.41Å; F388-H393 WeakPolarHBondContact CZ-NE2 3.45Å; F388-F406 HydrophobicContact CZ-CD2 4.4Å; F388-T412 HydrophobicContact CB-CG2 3.9Å; F388-T412 HydrophobicContact CD2-CG2 4.39Å; F388-W413 HydrophobicContact CD1-CE3 4.48Å; F388-W413 AromaticContact CE1-CE3 3.95Å; F388-W413 HydrophobicContact CE1-CE3 3.95Å; F388-W413 HydrophobicContact CE2-CB 4.09Å; F388-W413 HydrophobicContact CZ-CB 4.04Å; F388-W413 HydrophobicContact CZ-CE3 4.4Å; F388-L416 HydrophobicContact CB-CD2 4.29Å; F388-L416 HydrophobicContact CD1-CD2 3.96Å; F388-L416 HydrophobicContact CG-CD2 4.43Å
389	D	94.6	Very high	92.2	Very high	14 Å²	14	36.8 Å²	36.8	8%	0.075	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	31.8	-175.5	-65	-15.9	0	0	0	113.4	Q391 S410 T412 H518	D389-Q391 PolarHBondContact O-N 2.93Å; D389-S410 WeakPolarHBondContact OD2-CB 3.21Å; D389-S410 PolarHBondContact OD2-OG 2.98Å; D389-T412 WeakPolarHBondContact OD1-CB 3.45Å; D389-T412 PolarHBondContact OD1-OG1 3.43Å; D389-H518 PolarHBondContact OD1-N 3.21Å; D389-H518 IonicContact OD1-ND1 2.71Å; D389-H518 IonicContact OD2-CE1 3.8Å; D389-H518 PolarHBondContact OD2-CE1 2.96Å; D389-H518 IonicContact OD2-CG 3.35Å; D389-H518 IonicContact OD2-ND1 2.79Å; D389-H518 PolarHBondContact OD2-ND1 2.82Å
390	N	93.1	Very high	92	Very high	72 Å²	72	39.1 Å²	39.1	39%	0.385	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	30.4	-175.3	-166.2	38.7	0	0	0	114.8	F388 M517 W528	F388-N390 PolarHBondContact O-N 3.05Å; N390-M517 HydrophobicContact CB-CE 4.11Å; N390-W528 HydrophobicContact CB-CZ3 3.82Å
391	Q	93.9	Very high	91.9	Very high	116 Å²	116	40.4 Å²	40.4	54%	0.542	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.3	175.5	-67.7	-175.7	17.2	0	0	110.7	W387 F388 D389 H393	W387-Q391 WeakPolarHBondContact CA-O 3.41Å; F388-Q391 PolarHBondContact N-O 3.33Å; F388-Q391 PolarHBondContact O-N 3.11Å; F388-Q391 VanDerWaalsContact O-O 3.13Å; D389-Q391 PolarHBondContact O-N 2.93Å; Q391-H393 PolarHBondContact O-CD2 3.1Å
392	I	94.7	Very high	91.5	Very high	60 Å²	60	41.8 Å²	41.8	31%	0.308	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.2	170.2	-61.4	178.3	0	0	0	107.8	H385 M386 E538 L539	H385-I392 HydrophobicContact CB-CG2 3.99Å; M386-I392 WeakPolarHBondContact O-CA 3.4Å; I392-E538 HydrophobicContact CD1-CG 4.25Å; I392-E538 WeakPolarHBondContact CD1-OE2 3.37Å; I392-L539 HydrophobicContact CD1-CD2 4.41Å; I392-L539 HydrophobicContact CG2-CD2 4.24Å
393	H	94.3	Very high	90.7	Very high	26 Å²	26	43 Å²	43	12%	0.12	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.9	176.7	-62.1	-82.1	0	0	0	109.5	H385 M386 F388 Q391 F406	H385-H393 CarbonylContact C-O 3.58Å; H385-H393 VanDerWaalsContact CA-O 3.23Å; H385-H393 WeakPolarHBondContact CA-O 3.43Å; M386-H393 HydrophobicContact CB-CB 4.5Å; M386-H393 HydrophobicContact CE-CB 4.34Å; M386-H393 PolarHBondContact N-O 2.89Å; M386-H393 PolarHBondContact O-N 2.98Å; F388-H393 AromaticContact CD1-CD2 3.62Å; F388-H393 AromaticContact CD2-NE2 3.86Å; F388-H393 HydrophobicContact CE1-CB 4.2Å; F388-H393 AromaticContact CE1-CD2 3.23Å; F388-H393 WeakPolarHBondContact CE1-CD2 3.5Å; F388-H393 AromaticContact CE1-CG 3.75Å; F388-H393 AromaticContact CE1-NE2 3.81Å; F388-H393 AromaticContact CE2-CD2 3.8Å; F388-H393 AromaticContact CE2-NE2 3.44Å; F388-H393 WeakPolarHBondContact CE2-NE2 3.41Å; F388-H393 AromaticContact CZ-CD2 3.33Å; F388-H393 WeakPolarHBondContact CZ-CD2 3.44Å; F388-H393 AromaticContact CZ-CE1 3.92Å; F388-H393 AromaticContact CZ-CG 3.79Å; F388-H393 AromaticContact CZ-NE2 3.41Å; F388-H393 WeakPolarHBondContact CZ-NE2 3.45Å; Q391-H393 PolarHBondContact O-CD2 3.1Å; H393-F406 HydrophobicContact CB-CB 4.1Å; H393-F406 HydrophobicContact CB-CD2 4.43Å; H393-F406 HydrophobicContact CB-CG 4.43Å
394	E	92.7	Very high	89.8	Confident	126 Å²	126	47.8 Å²	47.8	59%	0.589	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	132	175.5	-168.6	177.8	178.1	0	0	110.5
395	A	91.9	Very high	88.8	Confident	8 Å²	8	50.7 Å²	50.7	7%	0.066	30%	0.297	C	S	.	.			trans	-95.6	153.8	174	0	0	0	0	0	110.6	V383 A384 M386 T397	V383-A395 HydrophobicContact CG1-CB 4.27Å; A384-A395 WeakPolarHBondContact O-CB 3.27Å; A384-A395 PolarHBondContact O-N 2.78Å; M386-A395 HydrophobicContact CE-CB 3.79Å; A395-T397 PolarHBondContact O-N 2.9Å; A395-T397 VanDerWaalsContact O-N 3.15Å
396	D	91.3	Very high	88.3	Confident	27 Å²	27	50.5 Å²	50.5	14%	0.144	30%	0.296	C	S	.	.			trans	-73.1	109.5	173.8	-172.9	-1.7	0	0	0	111.3	T398 Q401 S402 G403	D396-T398 WeakPolarHBondContact OD1-CB 3.49Å; D396-T398 WeakPolarHBondContact OD1-CG2 3.49Å; D396-T398 PolarHBondContact OD1-N 3.29Å; D396-T398 PolarHBondContact OD1-OG1 2.93Å; D396-T398 PolarHBondContact OD2-OG1 3.3Å; D396-Q401 PolarHBondContact O-NE2 2.94Å; D396-Q401 WeakPolarHBondContact OD2-CA 3.44Å; D396-S402 PolarHBondContact OD2-N 3.09Å; D396-G403 VanDerWaalsContact CG-N 3.34Å; D396-G403 PolarHBondContact OD1-N 2.5Å; D396-G403 WeakPolarHBondContact OD2-CA 3.34Å; D396-G403 PolarHBondContact OD2-N 2.93Å
397	T	90.4	Very high	87.7	Confident	31 Å²	31	54.6 Å²	54.6	19%	0.19	32%	0.318	C	S	.	.			trans	-92.4	-4.3	-179.7	58.4	0	0	0	0	113.7	Q378 A384 A395 P588	Q378-T397 PolarHBondContact NE2-O 2.92Å; A384-T397 HydrophobicContact CB-CG2 3.99Å; A395-T397 PolarHBondContact O-N 2.9Å; A395-T397 VanDerWaalsContact O-N 3.15Å; T397-P588 HydrophobicContact CG2-CB 4.18Å
398	T	87.1	Confident	87.3	Confident	23 Å²	23	58.5 Å²	58.5	14%	0.141	34%	0.335	C	S	.	.			trans	-72.4	146.2	-177	64.2	0	0	0	0	112.2	D396 D400 Q401 S402 L438 A591	D396-T398 WeakPolarHBondContact OD1-CB 3.49Å; D396-T398 WeakPolarHBondContact OD1-CG2 3.49Å; D396-T398 PolarHBondContact OD1-N 3.29Å; D396-T398 PolarHBondContact OD1-OG1 2.93Å; D396-T398 PolarHBondContact OD2-OG1 3.3Å; T398-D400 VanDerWaalsContact C-N 3.28Å; T398-D400 WeakPolarHBondContact CB-OD1 3.43Å; T398-D400 PolarHBondContact O-N 3.35Å; T398-D400 PolarHBondContact OG1-OD1 3.12Å; T398-Q401 PolarHBondContact O-N 3.24Å; T398-Q401 PolarHBondContact O-NE2 2.83Å; T398-Q401 VanDerWaalsContact OG1-CA 3.28Å; T398-Q401 WeakPolarHBondContact OG1-CA 3.36Å; T398-Q401 PolarHBondContact OG1-N 2.89Å; T398-S402 PolarHBondContact OG1-N 2.79Å; T398-S402 PolarHBondContact OG1-OG 3.18Å; T398-L438 WeakPolarHBondContact O-CD1 3.22Å; T398-A591 HydrophobicContact CG2-CB 4.25Å
399	E	84.9	Confident	86.9	Confident	64 Å²	64	63 Å²	63	30%	0.299	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-26.8	-178.8	64.9	-167.4	159.4	0	0	113.7	R590	E399-R590 IonicContact OE2-NH1 2.72Å
400	D	82.6	Confident	86.8	Confident	103 Å²	103	63 Å²	63	55%	0.551	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-0.9	179.7	66.5	-26.2	0	0	0	113.7	T398 S402	T398-D400 VanDerWaalsContact C-N 3.28Å; T398-D400 WeakPolarHBondContact CB-OD1 3.43Å; T398-D400 PolarHBondContact O-N 3.35Å; T398-D400 PolarHBondContact OG1-OD1 3.12Å; D400-S402 WeakPolarHBondContact OD1-CB 3.37Å; D400-S402 PolarHBondContact OD1-OG 3.34Å; D400-S402 PolarHBondContact OD2-OG 3.36Å
401	Q	84.1	Confident	86.7	Confident	70 Å²	70	61.2 Å²	61.2	33%	0.327	37%	0.366	S	S	.	.			trans	58.4	46.5	-178.4	-61.1	-73.3	-85.4	0	0	113.4	D396 T398 L438 L457	D396-Q401 PolarHBondContact O-NE2 2.94Å; D396-Q401 WeakPolarHBondContact OD2-CA 3.44Å; T398-Q401 PolarHBondContact O-N 3.24Å; T398-Q401 PolarHBondContact O-NE2 2.83Å; T398-Q401 VanDerWaalsContact OG1-CA 3.28Å; T398-Q401 WeakPolarHBondContact OG1-CA 3.36Å; T398-Q401 PolarHBondContact OG1-N 2.89Å; Q401-L438 HydrophobicContact CG-CD1 4.06Å; Q401-L457 HydrophobicContact CG-CD2 4.42Å
402	S	81.3	Confident	86.8	Confident	77 Å²	77	55.7 Å²	55.7	54%	0.538	34%	0.34	S	S	.	.			trans	-89.8	-6	179.3	51.7	0	0	0	0	114.1	D396 T398 D400	D396-S402 PolarHBondContact OD2-N 3.09Å; T398-S402 PolarHBondContact OG1-N 2.79Å; T398-S402 PolarHBondContact OG1-OG 3.18Å; D400-S402 WeakPolarHBondContact OD1-CB 3.37Å; D400-S402 PolarHBondContact OD1-OG 3.34Å; D400-S402 PolarHBondContact OD2-OG 3.36Å
403	G	75.8	Confident	86.8	Confident	37 Å²	37	53 Å²	53	38%	0.381	33%	0.326	S	S	.	.	S	Bend	trans	-77.4	166.9	179.8	0	0	0	0	0	113.5	D396	D396-G403 VanDerWaalsContact CG-N 3.34Å; D396-G403 PolarHBondContact OD1-N 2.5Å; D396-G403 WeakPolarHBondContact OD2-CA 3.34Å; D396-G403 PolarHBondContact OD2-N 2.93Å
404	S	75.6	Confident	86.7	Confident	103 Å²	103	55.1 Å²	55.1	72%	0.72	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-73.9	133.1	172	49	0	0	0	0	110.9
405	G	72.9	Confident	86.8	Confident	64 Å²	64	50.3 Å²	50.3	66%	0.66	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-72.6	162.1	171	0	0	0	0	0	112.8
406	F	86.2	Confident	86.9	Confident	27 Å²	27	49.9 Å²	49.9	12%	0.118	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-95.7	169.1	171.9	64.3	-79.8	0	0	0	111.9	M386 F388 H393 K408 W413	M386-F406 HydrophobicContact CE-CD1 3.57Å; M386-F406 HydrophobicContact CE-CD2 3.93Å; M386-F406 HydrophobicContact CE-CE1 3.43Å; M386-F406 VanDerWaalsContact CE-CE1 3.43Å; M386-F406 HydrophobicContact CE-CE2 3.78Å; M386-F406 HydrophobicContact CE-CG 3.83Å; M386-F406 HydrophobicContact CE-CZ 3.53Å; M386-F406 HydrophobicContact SD-CE1 4.19Å; M386-F406 HydrophobicContact SD-CE2 4.09Å; M386-F406 HydrophobicContact SD-CZ 3.78Å; F388-F406 HydrophobicContact CZ-CD2 4.4Å; H393-F406 HydrophobicContact CB-CB 4.1Å; H393-F406 HydrophobicContact CB-CD2 4.43Å; H393-F406 HydrophobicContact CB-CG 4.43Å; F406-K408 HydrophobicContact CE2-CG 4.17Å; F406-K408 HydrophobicContact CZ-CG 4.4Å; F406-K408 PolarHBondContact O-N 2.9Å; F406-W413 AromaticContact CE2-CD2 3.74Å; F406-W413 HydrophobicContact CE2-CD2 3.74Å; F406-W413 AromaticContact CE2-CE2 3.74Å; F406-W413 AromaticContact CE2-CE3 3.82Å; F406-W413 HydrophobicContact CE2-CE3 3.82Å; F406-W413 HydrophobicContact CE2-CG 4.42Å; F406-W413 AromaticContact CE2-CH2 3.95Å; F406-W413 HydrophobicContact CE2-CH2 3.95Å; F406-W413 AromaticContact CE2-CZ2 3.87Å; F406-W413 HydrophobicContact CE2-CZ2 3.87Å; F406-W413 AromaticContact CE2-CZ3 3.93Å; F406-W413 HydrophobicContact CE2-CZ3 3.93Å; F406-W413 HydrophobicContact CZ-CD2 4.27Å; F406-W413 AromaticContact CZ-CE2 3.87Å; F406-W413 HydrophobicContact CZ-CE3 4.3Å; F406-W413 AromaticContact CZ-CH2 3.56Å; F406-W413 HydrophobicContact CZ-CH2 3.56Å; F406-W413 AromaticContact CZ-CZ2 3.51Å; F406-W413 HydrophobicContact CZ-CZ2 3.51Å; F406-W413 AromaticContact CZ-CZ3 3.97Å; F406-W413 HydrophobicContact CZ-CZ3 3.97Å
407	D	81.9	Confident	87.1	Confident	87 Å²	87	48.9 Å²	48.9	47%	0.465	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-68.5	124.8	177.6	-176.5	14.8	0	0	0	111.8	S409	D407-S409 VanDerWaalsContact CG-OG 3.3Å; D407-S409 VanDerWaalsContact OD1-CB 3.27Å; D407-S409 WeakPolarHBondContact OD1-CB 3.23Å; D407-S409 PolarHBondContact OD1-N 3.39Å; D407-S409 PolarHBondContact OD1-OG 2.98Å; D407-S409 PolarHBondContact OD2-OG 3.34Å; D407-S409 VanDerWaalsContact OD2-OG 3.13Å
408	K	87.8	Confident	87.3	Confident	91 Å²	91	50.6 Å²	50.6	40%	0.396	32%	0.316	S	S	.	.			trans	-108.6	3.4	-179	-59.5	174.3	-174.4	177.3	0	112.7	F406	F406-K408 HydrophobicContact CE2-CG 4.17Å; F406-K408 HydrophobicContact CZ-CG 4.4Å; F406-K408 PolarHBondContact O-N 2.9Å
409	S	88.1	Confident	87.7	Confident	97 Å²	97	49.5 Å²	49.5	68%	0.678	31%	0.309	S	S	*	.			trans	-83.2	-22.3	-172.2	69	0	0	0	0	113.9	D407	D407-S409 VanDerWaalsContact CG-OG 3.3Å; D407-S409 VanDerWaalsContact OD1-CB 3.27Å; D407-S409 WeakPolarHBondContact OD1-CB 3.23Å; D407-S409 PolarHBondContact OD1-N 3.39Å; D407-S409 PolarHBondContact OD1-OG 2.98Å; D407-S409 PolarHBondContact OD2-OG 3.34Å; D407-S409 VanDerWaalsContact OD2-OG 3.13Å
410	S	92.4	Very high	88.2	Confident	14 Å²	14	46.4 Å²	46.4	10%	0.098	30%	0.295	C	S	.	.	S	Bend	trans	-63	136.7	-179.8	178.1	0	0	0	0	112.2	D389 T412 W413 V414	D389-S410 WeakPolarHBondContact OD2-CB 3.21Å; D389-S410 PolarHBondContact OD2-OG 2.98Å; S410-T412 PolarHBondContact O-N 3.33Å; S410-T412 PolarHBondContact OG-N 3.09Å; S410-W413 WeakPolarHBondContact O-CB 3.36Å; S410-W413 PolarHBondContact O-N 3.31Å; S410-W413 VanDerWaalsContact O-N 3.16Å; S410-V414 PolarHBondContact O-N 2.99Å
411	G	91.6	Very high	88.8	Confident	34 Å²	34	41.5 Å²	41.5	35%	0.351	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-30	172.5	0	0	0	0	0	112.8	V414 S415	G411-V414 PolarHBondContact O-N 3.42Å; G411-S415 PolarHBondContact O-N 3.32Å
412	T	94.4	Very high	89.4	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-41.9	176.2	-48.9	0	0	0	0	111.3	F388 D389 S410 V414 S415 L416 M516 H518 G519	F388-T412 HydrophobicContact CB-CG2 3.9Å; F388-T412 HydrophobicContact CD2-CG2 4.39Å; D389-T412 WeakPolarHBondContact OD1-CB 3.45Å; D389-T412 PolarHBondContact OD1-OG1 3.43Å; S410-T412 PolarHBondContact O-N 3.33Å; S410-T412 PolarHBondContact OG-N 3.09Å; T412-V414 PolarHBondContact O-N 2.93Å; T412-S415 PolarHBondContact O-N 2.97Å; T412-L416 WeakPolarHBondContact O-CB 3.45Å; T412-L416 PolarHBondContact O-N 3.41Å; T412-M516 HydrophobicContact CG2-CB 4.18Å; T412-M516 HydrophobicContact CG2-CG 4.04Å; T412-H518 WeakPolarHBondContact OG1-CA 3.46Å; T412-H518 PolarHBondContact OG1-N 3.37Å; T412-G519 PolarHBondContact OG1-N 3.27Å; T412-G519 VanDerWaalsContact OG1-N 3.12Å
413	W	94.9	Very high	90.1	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.019	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-40.5	175.9	169.3	-110.4	0	0	0	112.2	M386 F388 F406 S410 S415 L416 S417 I455 C458	M386-W413 HydrophobicContact CG-CZ3 4.46Å; M386-W413 HydrophobicContact SD-CE3 4.3Å; M386-W413 HydrophobicContact SD-CH2 3.72Å; M386-W413 HydrophobicContact SD-CZ3 3.36Å; M386-W413 WeakPolarHBondContact SD-CZ3 3.49Å; F388-W413 HydrophobicContact CD1-CE3 4.48Å; F388-W413 AromaticContact CE1-CE3 3.95Å; F388-W413 HydrophobicContact CE1-CE3 3.95Å; F388-W413 HydrophobicContact CE2-CB 4.09Å; F388-W413 HydrophobicContact CZ-CB 4.04Å; F388-W413 HydrophobicContact CZ-CE3 4.4Å; F406-W413 AromaticContact CE2-CD2 3.74Å; F406-W413 HydrophobicContact CE2-CD2 3.74Å; F406-W413 AromaticContact CE2-CE2 3.74Å; F406-W413 AromaticContact CE2-CE3 3.82Å; F406-W413 HydrophobicContact CE2-CE3 3.82Å; F406-W413 HydrophobicContact CE2-CG 4.42Å; F406-W413 AromaticContact CE2-CH2 3.95Å; F406-W413 HydrophobicContact CE2-CH2 3.95Å; F406-W413 AromaticContact CE2-CZ2 3.87Å; F406-W413 HydrophobicContact CE2-CZ2 3.87Å; F406-W413 AromaticContact CE2-CZ3 3.93Å; F406-W413 HydrophobicContact CE2-CZ3 3.93Å; F406-W413 HydrophobicContact CZ-CD2 4.27Å; F406-W413 AromaticContact CZ-CE2 3.87Å; F406-W413 HydrophobicContact CZ-CE3 4.3Å; F406-W413 AromaticContact CZ-CH2 3.56Å; F406-W413 HydrophobicContact CZ-CH2 3.56Å; F406-W413 AromaticContact CZ-CZ2 3.51Å; F406-W413 HydrophobicContact CZ-CZ2 3.51Å; F406-W413 AromaticContact CZ-CZ3 3.97Å; F406-W413 HydrophobicContact CZ-CZ3 3.97Å; S410-W413 WeakPolarHBondContact O-CB 3.36Å; S410-W413 PolarHBondContact O-N 3.31Å; S410-W413 VanDerWaalsContact O-N 3.16Å; W413-S415 VanDerWaalsContact C-N 3.3Å; W413-S415 PolarHBondContact O-N 3.42Å; W413-L416 HydrophobicContact CE3-CD2 4.22Å; W413-L416 HydrophobicContact CZ3-CD2 4.3Å; W413-L416 PolarHBondContact O-N 2.94Å; W413-S417 VanDerWaalsContact O-CB 3.28Å; W413-S417 WeakPolarHBondContact O-CB 3.39Å; W413-S417 PolarHBondContact O-N 3.1Å; W413-S417 PolarHBondContact O-OG 3.3Å; W413-I455 HydrophobicContact CH2-CD1 4.14Å; W413-C458 HydrophobicContact CZ2-CB 3.96Å
414	V	93	Very high	90.9	Very high	69 Å²	69	32.9 Å²	32.9	42%	0.418	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-42.4	177.4	178.7	0	0	0	0	110.7	S410 G411 T412 S417 R418	S410-V414 PolarHBondContact O-N 2.99Å; G411-V414 PolarHBondContact O-N 3.42Å; T412-V414 PolarHBondContact O-N 2.93Å; V414-S417 PolarHBondContact O-OG 3.09Å; V414-S417 VanDerWaalsContact O-OG 3.11Å; V414-R418 VanDerWaalsContact O-CB 3.27Å; V414-R418 WeakPolarHBondContact O-CB 3.25Å; V414-R418 PolarHBondContact O-N 3.44Å; V414-R418 VanDerWaalsContact O-N 3.13Å
415	S	93.7	Very high	91.7	Very high	25 Å²	25	35 Å²	35	18%	0.175	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-47.2	174.3	-66.3	0	0	0	0	112	G411 T412 W413 R418 V419 M516	G411-S415 PolarHBondContact O-N 3.32Å; T412-S415 PolarHBondContact O-N 2.97Å; W413-S415 VanDerWaalsContact C-N 3.3Å; W413-S415 PolarHBondContact O-N 3.42Å; S415-R418 WeakPolarHBondContact O-CB 3.23Å; S415-R418 PolarHBondContact O-N 3.45Å; S415-V419 WeakPolarHBondContact O-CG2 3.13Å; S415-V419 PolarHBondContact O-N 3.5Å; S415-M516 PolarHBondContact OG-SD 3.4Å; S415-M516 VanDerWaalsContact OG-SD 3.37Å
416	L	95.9	Very high	92.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-47.6	-179	-179.2	60	0	0	0	112	F388 T412 W413 R418 V419 A420 F549 L580 I583	F388-L416 HydrophobicContact CB-CD2 4.29Å; F388-L416 HydrophobicContact CD1-CD2 3.96Å; F388-L416 HydrophobicContact CG-CD2 4.43Å; T412-L416 WeakPolarHBondContact O-CB 3.45Å; T412-L416 PolarHBondContact O-N 3.41Å; W413-L416 HydrophobicContact CE3-CD2 4.22Å; W413-L416 HydrophobicContact CZ3-CD2 4.3Å; W413-L416 PolarHBondContact O-N 2.94Å; L416-R418 VanDerWaalsContact C-N 3.31Å; L416-R418 PolarHBondContact O-N 2.98Å; L416-V419 PolarHBondContact O-N 3.21Å; L416-A420 PolarHBondContact O-N 2.94Å; L416-F549 HydrophobicContact CD1-CB 3.48Å; L416-F549 VanDerWaalsContact CD1-CB 3.48Å; L416-F549 HydrophobicContact CD1-CD2 4.13Å; L416-F549 HydrophobicContact CD1-CG 3.81Å; L416-L580 HydrophobicContact CB-CB 4.45Å; L416-L580 HydrophobicContact CD1-CB 4.11Å; L416-I583 HydrophobicContact CD1-CD1 4.18Å; L416-I583 HydrophobicContact CD1-CG1 4.3Å; L416-I583 HydrophobicContact CD2-CD1 4.44Å; L416-I583 HydrophobicContact CD2-CG1 4.27Å; L416-I583 HydrophobicContact CG-CD1 4.19Å; L416-I583 HydrophobicContact CG-CG1 4.45Å
417	S	95.3	Very high	92.8	Very high	6 Å²	6	34 Å²	34	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-36	177.7	62.1	0	0	0	0	112.4	W413 V414 A420 G421 S459	W413-S417 VanDerWaalsContact O-CB 3.28Å; W413-S417 WeakPolarHBondContact O-CB 3.39Å; W413-S417 PolarHBondContact O-N 3.1Å; W413-S417 PolarHBondContact O-OG 3.3Å; V414-S417 PolarHBondContact O-OG 3.09Å; V414-S417 VanDerWaalsContact O-OG 3.11Å; S417-A420 PolarHBondContact O-N 2.85Å; S417-G421 PolarHBondContact O-N 3.49Å; S417-S459 WeakPolarHBondContact CB-OG 3.5Å
418	R	93.6	Very high	93.3	Very high	66 Å²	66	32.2 Å²	32.2	25%	0.249	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-47.4	172.4	-172.4	-176.2	-64.4	-163.1	-6.3	111.2	V414 S415 L416 G421 L422 D492	V414-R418 VanDerWaalsContact O-CB 3.27Å; V414-R418 WeakPolarHBondContact O-CB 3.25Å; V414-R418 PolarHBondContact O-N 3.44Å; V414-R418 VanDerWaalsContact O-N 3.13Å; S415-R418 WeakPolarHBondContact O-CB 3.23Å; S415-R418 PolarHBondContact O-N 3.45Å; L416-R418 VanDerWaalsContact C-N 3.31Å; L416-R418 PolarHBondContact O-N 2.98Å; R418-G421 PolarHBondContact O-N 3.48Å; R418-L422 HydrophobicContact CG-CD1 3.78Å; R418-L422 HydrophobicContact CG-CG 4.27Å; R418-L422 WeakPolarHBondContact O-CB 3.42Å; R418-L422 VanDerWaalsContact O-CG 3.25Å; R418-L422 WeakPolarHBondContact O-CG 3.37Å; R418-L422 PolarHBondContact O-N 3.49Å; R418-D492 IonicContact CZ-OD2 2.73Å; R418-D492 IonicContact NH1-OD2 3.41Å; R418-D492 PolarHBondContact NH1-OD2 3.4Å; R418-D492 VanDerWaalsContact NH1-OD2 3.13Å; R418-D492 IonicContact NH2-OD2 3.22Å; R418-D492 PolarHBondContact NH2-OD2 3.17Å
419	V	95.8	Very high	93.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-45.5	176.8	176.1	0	0	0	0	111.3	S415 L416 G421 L422 C423 V500 F549 H551 L580	S415-V419 WeakPolarHBondContact O-CG2 3.13Å; S415-V419 PolarHBondContact O-N 3.5Å; L416-V419 PolarHBondContact O-N 3.21Å; V419-G421 VanDerWaalsContact C-N 3.31Å; V419-G421 PolarHBondContact O-N 2.92Å; V419-L422 PolarHBondContact O-N 3Å; V419-C423 HydrophobicContact CG1-CB 4.48Å; V419-C423 VanDerWaalsContact O-CB 3.27Å; V419-C423 WeakPolarHBondContact O-CB 3.49Å; V419-C423 PolarHBondContact O-N 3.42Å; V419-V500 HydrophobicContact CB-CG1 4.48Å; V419-V500 HydrophobicContact CG1-CB 4.06Å; V419-V500 HydrophobicContact CG2-CB 4.2Å; V419-V500 HydrophobicContact CG2-CG1 3.81Å; V419-F549 HydrophobicContact CG1-CB 4.17Å; V419-F549 HydrophobicContact CG1-CD1 3.78Å; V419-F549 HydrophobicContact CG1-CG 4.47Å; V419-H551 HydrophobicContact CG2-CB 3.86Å; V419-L580 HydrophobicContact CB-CD1 4.19Å; V419-L580 HydrophobicContact CG2-CD1 3.37Å
420	A	96.2	Very high	93.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-34.1	178.9	0	0	0	0	0	113.3	L416 S417 N424 L451 I455 F549 I583	L416-A420 PolarHBondContact O-N 2.94Å; S417-A420 PolarHBondContact O-N 2.85Å; A420-N424 WeakPolarHBondContact O-CB 3.32Å; A420-N424 PolarHBondContact O-ND2 3.44Å; A420-L451 HydrophobicContact CB-CD2 4.41Å; A420-I455 HydrophobicContact CB-CD1 3.89Å; A420-I455 HydrophobicContact CB-CG1 3.87Å; A420-F549 HydrophobicContact CB-CE1 4.09Å; A420-I583 HydrophobicContact CB-CD1 4.04Å
421	G	95	Very high	92.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-75.4	-42	175.7	0	0	0	0	0	113.8	S417 R418 V419 R466	S417-G421 PolarHBondContact O-N 3.49Å; R418-G421 PolarHBondContact O-N 3.48Å; V419-G421 VanDerWaalsContact C-N 3.31Å; V419-G421 PolarHBondContact O-N 2.92Å; G421-R466 PolarHBondContact O-NE 3.44Å; G421-R466 PolarHBondContact O-NH2 3.17Å; G421-R466 VanDerWaalsContact O-NH2 3.1Å
422	L	95.3	Very high	92.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-80.9	-47.9	-175.7	-66.5	-176.6	0	0	0	113.3	R418 V419 N424 M465 R466 N469 H488 L498 V500	R418-L422 HydrophobicContact CG-CD1 3.78Å; R418-L422 HydrophobicContact CG-CG 4.27Å; R418-L422 WeakPolarHBondContact O-CB 3.42Å; R418-L422 VanDerWaalsContact O-CG 3.25Å; R418-L422 WeakPolarHBondContact O-CG 3.37Å; R418-L422 PolarHBondContact O-N 3.49Å; V419-L422 PolarHBondContact O-N 3Å; L422-N424 PolarHBondContact O-N 3.22Å; L422-M465 HydrophobicContact CD2-CG 4.31Å; L422-R466 HydrophobicContact CD2-CG 4.07Å; L422-N469 HydrophobicContact CD1-CB 3.93Å; L422-N469 HydrophobicContact CD2-CB 3.74Å; L422-H488 HydrophobicContact CD1-CB 4.46Å; L422-L498 HydrophobicContact CD1-CD2 4.39Å; L422-V500 HydrophobicContact CB-CG2 4.33Å
423	C	95.9	Very high	92.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-80.4	54.9	-178.9	-160.5	0	0	0	0	110.7	V419 Q484 V500 K502	V419-C423 HydrophobicContact CG1-CB 4.48Å; V419-C423 VanDerWaalsContact O-CB 3.27Å; V419-C423 WeakPolarHBondContact O-CB 3.49Å; V419-C423 PolarHBondContact O-N 3.42Å; C423-Q484 PolarHBondContact SG-O 3.19Å; C423-V500 HydrophobicContact CB-CB 4.23Å; C423-V500 HydrophobicContact CB-CG2 3.68Å; C423-K502 VanDerWaalsContact O-CD 3.28Å; C423-K502 WeakPolarHBondContact O-CD 3.27Å; C423-K502 WeakPolarHBondContact O-CE 3.22Å; C423-K502 PolarHBondContact O-NZ 2.97Å
424	N	94.3	Very high	91.8	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.011	29%	0.292	C	S	.	.			trans	-153.5	133.4	-171.3	-175.1	-27.8	0	0	0	110.5	A420 L422 A426 E448 L451 R466	A420-N424 WeakPolarHBondContact O-CB 3.32Å; A420-N424 PolarHBondContact O-ND2 3.44Å; L422-N424 PolarHBondContact O-N 3.22Å; N424-A426 VanDerWaalsContact OD1-CB 3.31Å; N424-A426 WeakPolarHBondContact OD1-CB 3.43Å; N424-A426 PolarHBondContact OD1-N 3.48Å; N424-E448 WeakPolarHBondContact CA-OE1 3.22Å; N424-E448 PolarHBondContact ND2-O 3.21Å; N424-E448 WeakPolarHBondContact OD1-CB 3.28Å; N424-L451 WeakPolarHBondContact ND2-CB 3.47Å; N424-R466 VanDerWaalsContact O-CZ 3.26Å; N424-R466 PolarHBondContact O-NH2 3.17Å; N424-R466 VanDerWaalsContact O-NH2 3.12Å
425	R	90.9	Very high	91.6	Very high	146 Å²	146	55 Å²	55	55%	0.551	29%	0.292	S	S	*	.			trans	-99.4	-10.1	-178.9	-61.6	170.3	64.4	-170.4	0.4	113.3	E448 E474	R425-E448 WeakPolarHBondContact CA-OE2 3.44Å; R425-E448 VanDerWaalsContact CB-OE2 3.31Å; R425-E448 WeakPolarHBondContact CB-OE2 3.37Å; R425-E448 PolarHBondContact N-OE1 3.23Å; R425-E448 VanDerWaalsContact N-OE1 3.1Å; R425-E448 PolarHBondContact N-OE2 3.39Å; R425-E474 WeakPolarHBondContact CD-OE1 3.48Å; R425-E474 WeakPolarHBondContact CG-OE1 3.46Å
426	A	90.7	Very high	91.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.			trans	-63.7	140.6	177.4	0	0	0	0	0	111.9	N424 A443 E448 L452 R466	N424-A426 VanDerWaalsContact OD1-CB 3.31Å; N424-A426 WeakPolarHBondContact OD1-CB 3.43Å; N424-A426 PolarHBondContact OD1-N 3.48Å; A426-A443 VanDerWaalsContact CA-O 3.27Å; A426-A443 WeakPolarHBondContact CA-O 3.4Å; A426-E448 HydrophobicContact CB-CB 3.79Å; A426-E448 PolarHBondContact N-OE2 2.93Å; A426-L452 HydrophobicContact CB-CB 4.22Å; A426-L452 HydrophobicContact CB-CD2 4Å; A426-R466 PolarHBondContact O-NH1 3.03Å; A426-R466 PolarHBondContact O-NH2 3.24Å
427	V	91.8	Very high	91.2	Very high	72 Å²	72	59.2 Å²	59.2	44%	0.436	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.9	174.8	-66.1	0	0	0	0	110.7	T442 A443	V427-T442 CarbonylContact O-C 3.44Å; V427-T442 VanDerWaalsContact O-CA 3.3Å; V427-T442 WeakPolarHBondContact O-CA 3.33Å; V427-A443 HydrophobicContact CG2-CB 4.06Å; V427-A443 PolarHBondContact N-O 3.47Å; V427-A443 VanDerWaalsContact N-O 3.08Å; V427-A443 PolarHBondContact O-N 3.43Å
428	F	91.8	Very high	91	Very high	49 Å²	49	59.3 Å²	59.3	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	144	170.7	-66.3	-66.6	0	0	0	111	I437 R440 T442 L452 K453 E456	F428-I437 HydrophobicContact CZ-CG2 4.05Å; F428-R440 HydrophobicContact CD1-CB 3.56Å; F428-R440 HydrophobicContact CD1-CG 4.44Å; F428-R440 HydrophobicContact CE1-CB 3.77Å; F428-T442 HydrophobicContact CD1-CG2 3.72Å; F428-T442 HydrophobicContact CE1-CG2 3.8Å; F428-L452 HydrophobicContact CD1-CD2 4.37Å; F428-L452 HydrophobicContact CD2-CD2 4.15Å; F428-L452 HydrophobicContact CE1-CD2 4.24Å; F428-L452 HydrophobicContact CE2-CD1 4.2Å; F428-L452 HydrophobicContact CE2-CD2 4Å; F428-L452 HydrophobicContact CE2-CG 3.92Å; F428-L452 HydrophobicContact CG-CD2 4.33Å; F428-L452 HydrophobicContact CZ-CD2 4.05Å; F428-L452 HydrophobicContact CZ-CG 3.94Å; F428-K453 HydrophobicContact CE1-CG 4.07Å; F428-K453 HydrophobicContact CZ-CG 4.24Å; F428-E456 HydrophobicContact CE2-CB 4.14Å; F428-E456 HydrophobicContact CE2-CG 3.8Å; F428-E456 HydrophobicContact CZ-CB 4.21Å; F428-E456 HydrophobicContact CZ-CG 4.12Å
429	R	88.3	Confident	90.6	Very high	153 Å²	153	61.4 Å²	61.4	58%	0.577	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-69.3	150	170.3	-67.8	-170.9	177.1	-169	-1.5	110.7	D441	R429-D441 HydrophobicContact CG-CB 4.25Å; R429-D441 PolarHBondContact N-O 3.11Å
430	S	86.4	Confident	90.3	Very high	122 Å²	122	63.4 Å²	63.4	85%	0.853	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	147.7	-178.3	-50.1	0	0	0	0	112.2
431	G	84.6	Confident	89.9	Confident	83 Å²	83	67.5 Å²	67.5	86%	0.856	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	14.2	172.7	0	0	0	0	0	116
432	Q	86.6	Confident	89.5	Confident	28 Å²	28	69 Å²	69	13%	0.131	37%	0.369	C	S	.	.			trans	-110.8	18	-174.4	-60.7	-171.6	-13.5	0	0	114.3	N434 L435 R440 D441	Q432-N434 PolarHBondContact O-N 2.86Å; Q432-L435 HydrophobicContact CB-CD1 4.21Å; Q432-L435 HydrophobicContact CG-CD1 4.31Å; Q432-L435 PolarHBondContact O-N 2.93Å; Q432-L435 VanDerWaalsContact O-N 3.13Å; Q432-R440 HydrophobicContact CB-CG 4.19Å; Q432-R440 PolarHBondContact O-NE 3.07Å; Q432-D441 PolarHBondContact NE2-OD2 3.37Å; Q432-D441 PolarHBondContact OE1-O 3.25Å
433	E	85.3	Confident	89	Confident	155 Å²	155	71.1 Å²	71.1	72%	0.724	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.5	-175.8	-65.9	-179.8	-176.1	0	0	113.2	L435 R440	E433-L435 VanDerWaalsContact C-N 3.29Å; E433-L435 PolarHBondContact O-N 3.27Å; E433-R440 PolarHBondContact O-NH2 2.91Å
434	N	87.8	Confident	88.3	Confident	167 Å²	167	73 Å²	73	89%	0.893	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-10	178.9	-64.7	-23.7	0	0	0	114	Q432	Q432-N434 PolarHBondContact O-N 2.86Å
435	L	88	Confident	87.7	Confident	81 Å²	81	75 Å²	75	42%	0.424	42%	0.416	S	S	.	.	S	Bend	trans	-90.4	148.1	178.9	-64.4	174.7	0	0	0	110.9	Q432 E433 R440	Q432-L435 HydrophobicContact CB-CD1 4.21Å; Q432-L435 HydrophobicContact CG-CD1 4.31Å; Q432-L435 PolarHBondContact O-N 2.93Å; Q432-L435 VanDerWaalsContact O-N 3.13Å; E433-L435 VanDerWaalsContact C-N 3.29Å; E433-L435 PolarHBondContact O-N 3.27Å; L435-R440 HydrophobicContact CB-CG 4.07Å; L435-R440 PolarHBondContact O-NE 2.89Å; L435-R440 PolarHBondContact O-NH2 3.45Å
436	P	90.4	Very high	87.4	Confident	75 Å²	75	69.8 Å²	69.8	49%	0.487	41%	0.405	S	S	.	.			trans	-54.1	141.1	169.1	-24.1	33.7	0	0	0	111.5	L438 M439 R440	P436-L438 PolarHBondContact O-N 2.85Å; P436-L438 VanDerWaalsContact O-N 3.14Å; P436-M439 HydrophobicContact CB-CB 4.49Å; P436-M439 HydrophobicContact CB-CG 4.49Å; P436-M439 HydrophobicContact CG-SD 4.29Å; P436-M439 PolarHBondContact O-N 2.88Å; P436-R440 PolarHBondContact O-N 3.32Å
437	I	91.8	Very high	87.4	Confident	37 Å²	37	70.1 Å²	70.1	19%	0.19	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-52	-43.5	-173	-67.3	164.4	0	0	0	112	F428 M439 R440 K453 E456 L457	F428-I437 HydrophobicContact CZ-CG2 4.05Å; I437-M439 VanDerWaalsContact C-N 3.29Å; I437-M439 PolarHBondContact O-N 3.49Å; I437-R440 PolarHBondContact O-N 2.97Å; I437-K453 HydrophobicContact CG2-CB 4.43Å; I437-K453 HydrophobicContact CG2-CG 4.45Å; I437-E456 HydrophobicContact CD1-CG 3.99Å; I437-E456 HydrophobicContact CG1-CG 4.23Å; I437-E456 HydrophobicContact CG2-CB 3.98Å; I437-E456 HydrophobicContact CG2-CG 3.99Å; I437-L457 HydrophobicContact CB-CD2 4.1Å; I437-L457 HydrophobicContact CB-CG 4.24Å; I437-L457 HydrophobicContact CD1-CD2 3.76Å; I437-L457 HydrophobicContact CD1-CG 4.13Å; I437-L457 HydrophobicContact CG1-CD2 4.49Å; I437-L457 HydrophobicContact CG2-CD2 4.42Å; I437-L457 HydrophobicContact CG2-CG 4Å
438	L	89.8	Confident	87.4	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.042	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-65	-29.6	-180	-72.4	-178.4	0	0	0	113.9	R380 T398 Q401 P436 K453 L457	R380-L438 WeakPolarHBondContact CD-O 3.26Å; R380-L438 PolarHBondContact NH1-O 3.35Å; T398-L438 WeakPolarHBondContact O-CD1 3.22Å; Q401-L438 HydrophobicContact CG-CD1 4.06Å; P436-L438 PolarHBondContact O-N 2.85Å; P436-L438 VanDerWaalsContact O-N 3.14Å; L438-K453 HydrophobicContact CD2-CB 4.24Å; L438-K453 HydrophobicContact CD2-CD 4.47Å; L438-K453 PolarHBondContact O-NZ 2.78Å; L438-L457 HydrophobicContact CD1-CD1 4.46Å; L438-L457 HydrophobicContact CD2-CD1 3.7Å; L438-L457 HydrophobicContact CG-CD1 3.94Å
439	M	86.3	Confident	87.4	Confident	110 Å²	110	65.3 Å²	65.3	54%	0.542	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-89.8	-6.7	179.1	-67.7	-172.1	172.4	0	0	113.7	P436 I437	P436-M439 HydrophobicContact CB-CB 4.49Å; P436-M439 HydrophobicContact CB-CG 4.49Å; P436-M439 HydrophobicContact CG-SD 4.29Å; P436-M439 PolarHBondContact O-N 2.88Å; I437-M439 VanDerWaalsContact C-N 3.29Å; I437-M439 PolarHBondContact O-N 3.49Å
440	R	90.3	Very high	87.7	Confident	42 Å²	42	58.1 Å²	58.1	16%	0.158	36%	0.355	C	S	.	.	S	Bend	trans	-69.2	138.5	175.5	-63.7	176.4	-171.9	174.7	-2.5	110.5	F428 Q432 E433 L435 P436 I437 K453	F428-R440 HydrophobicContact CD1-CB 3.56Å; F428-R440 HydrophobicContact CD1-CG 4.44Å; F428-R440 HydrophobicContact CE1-CB 3.77Å; Q432-R440 HydrophobicContact CB-CG 4.19Å; Q432-R440 PolarHBondContact O-NE 3.07Å; E433-R440 PolarHBondContact O-NH2 2.91Å; L435-R440 HydrophobicContact CB-CG 4.07Å; L435-R440 PolarHBondContact O-NE 2.89Å; L435-R440 PolarHBondContact O-NH2 3.45Å; P436-R440 PolarHBondContact O-N 3.32Å; I437-R440 PolarHBondContact O-N 2.97Å; R440-K453 WeakPolarHBondContact O-CE 3.3Å; R440-K453 PolarHBondContact O-NZ 2.83Å
441	D	86.6	Confident	88.1	Confident	87 Å²	87	52.3 Å²	52.3	47%	0.465	32%	0.315	S	S	.	.			trans	-74.3	140.7	172	-61.2	-42.5	0	0	0	110.3	R429 Q432	R429-D441 HydrophobicContact CG-CB 4.25Å; R429-D441 PolarHBondContact N-O 3.11Å; Q432-D441 PolarHBondContact NE2-OD2 3.37Å; Q432-D441 PolarHBondContact OE1-O 3.25Å
442	T	87	Confident	88.6	Confident	30 Å²	30	48.6 Å²	48.6	18%	0.184	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.5	179.1	49.8	0	0	0	0	110.2	V427 F428 S449 L452	V427-T442 CarbonylContact O-C 3.44Å; V427-T442 VanDerWaalsContact O-CA 3.3Å; V427-T442 WeakPolarHBondContact O-CA 3.33Å; F428-T442 HydrophobicContact CD1-CG2 3.72Å; F428-T442 HydrophobicContact CE1-CG2 3.8Å; T442-S449 WeakPolarHBondContact CB-OG 3.3Å; T442-S449 WeakPolarHBondContact OG1-CB 3.44Å; T442-S449 PolarHBondContact OG1-OG 3.47Å; T442-L452 HydrophobicContact CG2-CD2 3.89Å
443	A	85.1	Confident	89	Confident	46 Å²	46	48 Å²	48	38%	0.38	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	107.4	165.9	0	0	0	0	0	107.6	A426 V427	A426-A443 VanDerWaalsContact CA-O 3.27Å; A426-A443 WeakPolarHBondContact CA-O 3.4Å; V427-A443 HydrophobicContact CG2-CB 4.06Å; V427-A443 PolarHBondContact N-O 3.47Å; V427-A443 VanDerWaalsContact N-O 3.08Å; V427-A443 PolarHBondContact O-N 3.43Å
444	G	80.8	Confident	89.5	Confident	39 Å²	39	41.4 Å²	41.4	40%	0.402	24%	0.243	S	C	.	.	S	Bend	trans	157.1	173.5	-175.2	0	0	0	0	0	110.1
445	D	81.8	Confident	89.9	Confident	44 Å²	44	33.4 Å²	33.4	24%	0.235	20%	0.2	C	C	.	.			trans	-70.5	166.1	173.9	71.8	73.1	0	0	0	111.9	S447 E448 S449	D445-S447 VanDerWaalsContact C-N 3.34Å; D445-S447 PolarHBondContact O-N 2.84Å; D445-S447 WeakPolarHBondContact OD1-CA 3.29Å; D445-S447 WeakPolarHBondContact OD1-CB 3.3Å; D445-S447 PolarHBondContact OD1-N 2.85Å; D445-E448 PolarHBondContact O-N 2.92Å; D445-E448 PolarHBondContact OD1-N 2.87Å; D445-E448 VanDerWaalsContact OD2-CG 3.26Å; D445-E448 WeakPolarHBondContact OD2-CG 3.5Å; D445-S449 VanDerWaalsContact O-CB 3.24Å; D445-S449 WeakPolarHBondContact O-CB 3.45Å; D445-S449 PolarHBondContact O-N 3.41Å; D445-S449 PolarHBondContact O-OG 3.24Å
446	A	85	Confident	90.2	Very high	37 Å²	37	30.9 Å²	30.9	31%	0.306	19%	0.186	S	C	.	.	H	α-helix	trans	-62.6	-37.9	-175.8	0	0	0	0	0	113	M381 S449 A450	M381-A446 HydrophobicContact CB-CB 4.01Å; A446-S449 PolarHBondContact O-N 2.94Å; A446-A450 WeakPolarHBondContact O-CB 3.15Å; A446-A450 PolarHBondContact O-N 3.29Å
447	S	89.7	Confident	90.2	Very high	7 Å²	7	30.1 Å²	30.1	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-71	-43.9	-179.7	-66.6	0	0	0	0	111.7	D445 S449 A450 L451 M585	D445-S447 VanDerWaalsContact C-N 3.34Å; D445-S447 PolarHBondContact O-N 2.84Å; D445-S447 WeakPolarHBondContact OD1-CA 3.29Å; D445-S447 WeakPolarHBondContact OD1-CB 3.3Å; D445-S447 PolarHBondContact OD1-N 2.85Å; S447-S449 VanDerWaalsContact C-N 3.32Å; S447-S449 PolarHBondContact O-N 3.23Å; S447-A450 PolarHBondContact O-N 3.16Å; S447-L451 WeakPolarHBondContact O-CG 3.24Å; S447-L451 PolarHBondContact O-N 3.43Å; S447-L451 VanDerWaalsContact O-N 3.11Å; S447-M585 WeakPolarHBondContact CA-SD 3.22Å; S447-M585 WeakPolarHBondContact CB-SD 3.47Å; S447-M585 PolarHBondContact OG-SD 3.4Å; S447-M585 VanDerWaalsContact OG-SD 3.37Å
448	E	91.4	Very high	90.1	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-38.1	173.8	-76.5	-156.3	141.1	0	0	112.7	N424 R425 A426 D445 L451 L452 Q484 K502	N424-E448 WeakPolarHBondContact CA-OE1 3.22Å; N424-E448 PolarHBondContact ND2-O 3.21Å; N424-E448 WeakPolarHBondContact OD1-CB 3.28Å; R425-E448 WeakPolarHBondContact CA-OE2 3.44Å; R425-E448 VanDerWaalsContact CB-OE2 3.31Å; R425-E448 WeakPolarHBondContact CB-OE2 3.37Å; R425-E448 PolarHBondContact N-OE1 3.23Å; R425-E448 VanDerWaalsContact N-OE1 3.1Å; R425-E448 PolarHBondContact N-OE2 3.39Å; A426-E448 HydrophobicContact CB-CB 3.79Å; A426-E448 PolarHBondContact N-OE2 2.93Å; D445-E448 PolarHBondContact O-N 2.92Å; D445-E448 PolarHBondContact OD1-N 2.87Å; D445-E448 VanDerWaalsContact OD2-CG 3.26Å; D445-E448 WeakPolarHBondContact OD2-CG 3.5Å; E448-L451 PolarHBondContact O-N 2.88Å; E448-L452 WeakPolarHBondContact O-CB 3.49Å; E448-L452 PolarHBondContact O-N 2.7Å; E448-Q484 PolarHBondContact OE1-NE2 3.37Å; E448-Q484 PolarHBondContact OE1-OE1 2.89Å; E448-Q484 VanDerWaalsContact OE1-OE1 3.08Å; E448-K502 VanDerWaalsContact CG-NZ 3.35Å; E448-K502 IonicContact OE1-NZ 2.81Å; E448-K502 PolarHBondContact OE1-NZ 2.6Å
449	S	92.4	Very high	90.1	Very high	11 Å²	11	31.6 Å²	31.6	8%	0.077	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-40.4	175.4	-62.2	0	0	0	0	112.2	T442 D445 A446 S447 L452 K453	T442-S449 WeakPolarHBondContact CB-OG 3.3Å; T442-S449 WeakPolarHBondContact OG1-CB 3.44Å; T442-S449 PolarHBondContact OG1-OG 3.47Å; D445-S449 VanDerWaalsContact O-CB 3.24Å; D445-S449 WeakPolarHBondContact O-CB 3.45Å; D445-S449 PolarHBondContact O-N 3.41Å; D445-S449 PolarHBondContact O-OG 3.24Å; A446-S449 PolarHBondContact O-N 2.94Å; S447-S449 VanDerWaalsContact C-N 3.32Å; S447-S449 PolarHBondContact O-N 3.23Å; S449-L452 PolarHBondContact O-N 3.13Å; S449-K453 WeakPolarHBondContact O-CB 3.35Å; S449-K453 WeakPolarHBondContact O-CG 3.31Å; S449-K453 PolarHBondContact O-N 2.98Å
450	A	93.8	Very high	90.3	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-46.8	175.3	0	0	0	0	0	111.3	M381 V383 A446 S447 K453 C454 M585	M381-A450 HydrophobicContact CB-CB 4.23Å; M381-A450 HydrophobicContact CG-CB 3.97Å; M381-A450 WeakPolarHBondContact O-CB 3.45Å; V383-A450 HydrophobicContact CG2-CB 4.49Å; A446-A450 WeakPolarHBondContact O-CB 3.15Å; A446-A450 PolarHBondContact O-N 3.29Å; S447-A450 PolarHBondContact O-N 3.16Å; A450-K453 PolarHBondContact O-N 2.97Å; A450-C454 WeakPolarHBondContact O-CB 3.49Å; A450-C454 PolarHBondContact O-N 3.39Å; A450-M585 HydrophobicContact CB-SD 4.22Å
451	L	96.1	Very high	90.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-46.5	176.1	-67.1	169.8	0	0	0	111.4	V383 A420 N424 S447 E448 K453 C454 I455 K502 L547 F549 I583 M585	V383-L451 HydrophobicContact CG2-CD2 4.11Å; A420-L451 HydrophobicContact CB-CD2 4.41Å; N424-L451 WeakPolarHBondContact ND2-CB 3.47Å; S447-L451 WeakPolarHBondContact O-CG 3.24Å; S447-L451 PolarHBondContact O-N 3.43Å; S447-L451 VanDerWaalsContact O-N 3.11Å; E448-L451 PolarHBondContact O-N 2.88Å; L451-K453 VanDerWaalsContact C-N 3.32Å; L451-K453 PolarHBondContact O-N 3.46Å; L451-C454 PolarHBondContact O-N 3.4Å; L451-I455 WeakPolarHBondContact O-CG1 3.5Å; L451-I455 PolarHBondContact O-N 3.3Å; L451-K502 HydrophobicContact CD1-CD 4.42Å; L451-L547 HydrophobicContact CD1-CD1 4.28Å; L451-F549 HydrophobicContact CD1-CE1 4.22Å; L451-F549 HydrophobicContact CD1-CZ 3.85Å; L451-F549 HydrophobicContact CD2-CZ 3.9Å; L451-I583 HydrophobicContact CD2-CB 4.34Å; L451-I583 HydrophobicContact CD2-CD1 3.93Å; L451-I583 HydrophobicContact CD2-CG2 3.92Å; L451-M585 HydrophobicContact CD1-CE 4.32Å; L451-M585 HydrophobicContact CD2-CE 3.93Å; L451-M585 HydrophobicContact CG-CE 3.87Å
452	L	95.9	Very high	90.8	Very high	4 Å²	4	24 Å²	24	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-56.2	-48.4	178.2	173.8	67.6	0	0	0	111	A426 F428 T442 E448 S449 I455 E456 V462	A426-L452 HydrophobicContact CB-CB 4.22Å; A426-L452 HydrophobicContact CB-CD2 4Å; F428-L452 HydrophobicContact CD1-CD2 4.37Å; F428-L452 HydrophobicContact CD2-CD2 4.15Å; F428-L452 HydrophobicContact CE1-CD2 4.24Å; F428-L452 HydrophobicContact CE2-CD1 4.2Å; F428-L452 HydrophobicContact CE2-CD2 4Å; F428-L452 HydrophobicContact CE2-CG 3.92Å; F428-L452 HydrophobicContact CG-CD2 4.33Å; F428-L452 HydrophobicContact CZ-CD2 4.05Å; F428-L452 HydrophobicContact CZ-CG 3.94Å; T442-L452 HydrophobicContact CG2-CD2 3.89Å; E448-L452 WeakPolarHBondContact O-CB 3.49Å; E448-L452 PolarHBondContact O-N 2.7Å; S449-L452 PolarHBondContact O-N 3.13Å; L452-I455 PolarHBondContact O-N 3.33Å; L452-E456 VanDerWaalsContact O-CB 3.31Å; L452-E456 WeakPolarHBondContact O-CB 3.45Å; L452-E456 PolarHBondContact O-N 3.18Å; L452-V462 HydrophobicContact CD1-CB 3.74Å; L452-V462 HydrophobicContact CD1-CG1 3.71Å; L452-V462 HydrophobicContact CD1-CG2 3.97Å
453	K	94.9	Very high	91	Very high	17 Å²	17	31.8 Å²	31.8	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-42.7	179.6	-73.6	175.8	175.1	-171.6	0	111.9	F428 I437 L438 R440 S449 A450 L451 E456 L457	F428-K453 HydrophobicContact CE1-CG 4.07Å; F428-K453 HydrophobicContact CZ-CG 4.24Å; I437-K453 HydrophobicContact CG2-CB 4.43Å; I437-K453 HydrophobicContact CG2-CG 4.45Å; L438-K453 HydrophobicContact CD2-CB 4.24Å; L438-K453 HydrophobicContact CD2-CD 4.47Å; L438-K453 PolarHBondContact O-NZ 2.78Å; R440-K453 WeakPolarHBondContact O-CE 3.3Å; R440-K453 PolarHBondContact O-NZ 2.83Å; S449-K453 WeakPolarHBondContact O-CB 3.35Å; S449-K453 WeakPolarHBondContact O-CG 3.31Å; S449-K453 PolarHBondContact O-N 2.98Å; A450-K453 PolarHBondContact O-N 2.97Å; L451-K453 VanDerWaalsContact C-N 3.32Å; L451-K453 PolarHBondContact O-N 3.46Å; K453-E456 PolarHBondContact O-N 3.37Å; K453-L457 WeakPolarHBondContact O-CB 3.3Å; K453-L457 WeakPolarHBondContact O-CD1 3.07Å; K453-L457 WeakPolarHBondContact O-CG 3.36Å; K453-L457 PolarHBondContact O-N 3.4Å
454	C	94.9	Very high	91.4	Very high	15 Å²	15	34.1 Å²	34.1	10%	0.101	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-48	177.2	179.2	0	0	0	0	112	V383 A450 L451 L457 C458	V383-C454 HydrophobicContact CB-CB 3.95Å; V383-C454 HydrophobicContact CG2-CB 3.64Å; A450-C454 WeakPolarHBondContact O-CB 3.49Å; A450-C454 PolarHBondContact O-N 3.39Å; L451-C454 PolarHBondContact O-N 3.4Å; C454-L457 PolarHBondContact O-N 2.91Å; C454-C458 WeakPolarHBondContact O-CB 3.45Å; C454-C458 PolarHBondContact O-N 2.93Å
455	I	95.3	Very high	91.9	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.7	-37.7	-179.6	-56.2	-44.6	0	0	0	111.3	W413 A420 L451 L452 L457 C458 S459 V462 M465	W413-I455 HydrophobicContact CH2-CD1 4.14Å; A420-I455 HydrophobicContact CB-CD1 3.89Å; A420-I455 HydrophobicContact CB-CG1 3.87Å; L451-I455 WeakPolarHBondContact O-CG1 3.5Å; L451-I455 PolarHBondContact O-N 3.3Å; L452-I455 PolarHBondContact O-N 3.33Å; I455-L457 VanDerWaalsContact C-N 3.28Å; I455-L457 PolarHBondContact O-N 2.85Å; I455-C458 PolarHBondContact O-N 3.18Å; I455-S459 WeakPolarHBondContact O-CA 3.46Å; I455-S459 PolarHBondContact O-N 3.38Å; I455-V462 HydrophobicContact CB-CG2 3.8Å; I455-V462 HydrophobicContact CG2-CG2 3.66Å; I455-M465 HydrophobicContact CG2-CE 3.84Å; I455-M465 HydrophobicContact CG2-SD 4.49Å
456	E	94.4	Very high	92.5	Very high	28 Å²	28	33.5 Å²	33.5	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-37.9	175	-167.9	77.4	-165.7	0	0	111.8	F428 I437 L452 K453 G460 S461 V462	F428-E456 HydrophobicContact CE2-CB 4.14Å; F428-E456 HydrophobicContact CE2-CG 3.8Å; F428-E456 HydrophobicContact CZ-CB 4.21Å; F428-E456 HydrophobicContact CZ-CG 4.12Å; I437-E456 HydrophobicContact CD1-CG 3.99Å; I437-E456 HydrophobicContact CG1-CG 4.23Å; I437-E456 HydrophobicContact CG2-CB 3.98Å; I437-E456 HydrophobicContact CG2-CG 3.99Å; L452-E456 VanDerWaalsContact O-CB 3.31Å; L452-E456 WeakPolarHBondContact O-CB 3.45Å; L452-E456 PolarHBondContact O-N 3.18Å; K453-E456 PolarHBondContact O-N 3.37Å; E456-G460 WeakPolarHBondContact CA-O 3.38Å; E456-S461 WeakPolarHBondContact OE1-CA 3.47Å; E456-S461 PolarHBondContact OE1-OG 3.44Å; E456-V462 HydrophobicContact CB-CG2 4.28Å; E456-V462 PolarHBondContact OE2-N 2.59Å
457	L	91.8	Very high	92.8	Very high	58 Å²	58	35.2 Å²	35.2	30%	0.304	20%	0.197	S	C	.	.	H	α-helix	trans	-71.9	-42.8	175.8	-77.3	163.4	0	0	0	112.9	Q401 I437 L438 K453 C454 I455	Q401-L457 HydrophobicContact CG-CD2 4.42Å; I437-L457 HydrophobicContact CB-CD2 4.1Å; I437-L457 HydrophobicContact CB-CG 4.24Å; I437-L457 HydrophobicContact CD1-CD2 3.76Å; I437-L457 HydrophobicContact CD1-CG 4.13Å; I437-L457 HydrophobicContact CG1-CD2 4.49Å; I437-L457 HydrophobicContact CG2-CD2 4.42Å; I437-L457 HydrophobicContact CG2-CG 4Å; L438-L457 HydrophobicContact CD1-CD1 4.46Å; L438-L457 HydrophobicContact CD2-CD1 3.7Å; L438-L457 HydrophobicContact CG-CD1 3.94Å; K453-L457 WeakPolarHBondContact O-CB 3.3Å; K453-L457 WeakPolarHBondContact O-CD1 3.07Å; K453-L457 WeakPolarHBondContact O-CG 3.36Å; K453-L457 PolarHBondContact O-N 3.4Å; C454-L457 PolarHBondContact O-N 2.91Å; I455-L457 VanDerWaalsContact C-N 3.28Å; I455-L457 PolarHBondContact O-N 2.85Å
458	C	89.4	Confident	92.9	Very high	31 Å²	31	40.9 Å²	40.9	21%	0.209	22%	0.218	C	C	.	.	H	α-helix	trans	-95.4	-28.3	-167.2	-70.3	0	0	0	0	114.7	W413 C454 I455	W413-C458 HydrophobicContact CZ2-CB 3.96Å; C454-C458 WeakPolarHBondContact O-CB 3.45Å; C454-C458 PolarHBondContact O-N 2.93Å; I455-C458 PolarHBondContact O-N 3.18Å
459	S	88.6	Confident	92.9	Very high	45 Å²	45	40.8 Å²	40.8	32%	0.315	22%	0.218	S	C	.	.	H	α-helix	trans	-127.1	8.6	-170.3	-57.7	0	0	0	0	113.7	S417 I455	S417-S459 WeakPolarHBondContact CB-OG 3.5Å; I455-S459 WeakPolarHBondContact O-CA 3.46Å; I455-S459 PolarHBondContact O-N 3.38Å
460	G	90.5	Very high	92.9	Very high	37 Å²	37	43.1 Å²	43.1	38%	0.381	23%	0.232	S	C	.	.	S	Bend	trans	81.2	-164.3	-179.1	0	0	0	0	0	113.2	E456 V462	E456-G460 WeakPolarHBondContact CA-O 3.38Å; G460-V462 PolarHBondContact O-N 2.58Å; G460-V462 VanDerWaalsContact O-N 3.16Å
461	S	93.6	Very high	92.9	Very high	41 Å²	41	47 Å²	47	29%	0.287	25%	0.249	S	C	.	.			trans	-65.7	118.8	-168.7	-165.8	0	0	0	0	113.6	E456 R463 D464 M465	E456-S461 WeakPolarHBondContact OE1-CA 3.47Å; E456-S461 PolarHBondContact OE1-OG 3.44Å; S461-R463 PolarHBondContact O-N 3.49Å; S461-R463 PolarHBondContact OG-N 2.87Å; S461-D464 PolarHBondContact O-N 3.41Å; S461-M465 PolarHBondContact O-N 3.34Å
462	V	94	Very high	92.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-68.1	-29.4	176.3	179.5	0	0	0	0	110.7	L452 I455 E456 G460 M465 R466	L452-V462 HydrophobicContact CD1-CB 3.74Å; L452-V462 HydrophobicContact CD1-CG1 3.71Å; L452-V462 HydrophobicContact CD1-CG2 3.97Å; I455-V462 HydrophobicContact CB-CG2 3.8Å; I455-V462 HydrophobicContact CG2-CG2 3.66Å; E456-V462 HydrophobicContact CB-CG2 4.28Å; E456-V462 PolarHBondContact OE2-N 2.59Å; G460-V462 PolarHBondContact O-N 2.58Å; G460-V462 VanDerWaalsContact O-N 3.16Å; V462-M465 PolarHBondContact O-N 3.1Å; V462-R466 HydrophobicContact CG1-CG 4.26Å; V462-R466 WeakPolarHBondContact O-CB 3.41Å; V462-R466 WeakPolarHBondContact O-CG 3.41Å; V462-R466 PolarHBondContact O-N 3.04Å
463	R	91.9	Very high	92.4	Very high	195 Å²	195	50.1 Å²	50.1	74%	0.736	27%	0.269	S	S	*	.	H	α-helix	trans	-61	-46.9	175.1	-175.5	-179.3	178	-177.8	-1.7	111.1	S461 R466 A467	S461-R463 PolarHBondContact O-N 3.49Å; S461-R463 PolarHBondContact OG-N 2.87Å; R463-R466 PolarHBondContact O-N 3.23Å; R463-A467 WeakPolarHBondContact O-CB 3.27Å; R463-A467 PolarHBondContact O-N 3.16Å
464	D	92.4	Very high	92.3	Very high	94 Å²	94	51.8 Å²	51.8	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-70.5	-36.4	178.8	-63	-21.5	0	0	0	111.2	S461 A467 R468	S461-D464 PolarHBondContact O-N 3.41Å; D464-A467 PolarHBondContact O-N 3.32Å; D464-R468 WeakPolarHBondContact O-CB 3.4Å; D464-R468 VanDerWaalsContact O-CG 3.28Å; D464-R468 WeakPolarHBondContact O-CG 3.22Å; D464-R468 PolarHBondContact O-N 2.65Å; D464-R468 PolarHBondContact O-NE 2.8Å
465	M	92.6	Very high	92.1	Very high	17 Å²	17	51.8 Å²	51.8	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-45.8	172.6	-174.6	-171.6	-66.4	0	0	111.8	L422 I455 S461 V462 R468 N469	L422-M465 HydrophobicContact CD2-CG 4.31Å; I455-M465 HydrophobicContact CG2-CE 3.84Å; I455-M465 HydrophobicContact CG2-SD 4.49Å; S461-M465 PolarHBondContact O-N 3.34Å; V462-M465 PolarHBondContact O-N 3.1Å; M465-R468 PolarHBondContact O-N 3.03Å; M465-N469 PolarHBondContact O-N 2.77Å; M465-N469 PolarHBondContact O-ND2 3.26Å
466	R	93.8	Very high	91.8	Very high	53 Å²	53	54.9 Å²	54.9	20%	0.2	30%	0.297	C	S	.	.	H	α-helix	trans	-70.1	-35.1	177.3	-71.6	176.5	-175.9	168.4	7.3	112.5	G421 L422 N424 A426 V462 R463 R468 N469	G421-R466 PolarHBondContact O-NE 3.44Å; G421-R466 PolarHBondContact O-NH2 3.17Å; G421-R466 VanDerWaalsContact O-NH2 3.1Å; L422-R466 HydrophobicContact CD2-CG 4.07Å; N424-R466 VanDerWaalsContact O-CZ 3.26Å; N424-R466 PolarHBondContact O-NH2 3.17Å; N424-R466 VanDerWaalsContact O-NH2 3.12Å; A426-R466 PolarHBondContact O-NH1 3.03Å; A426-R466 PolarHBondContact O-NH2 3.24Å; V462-R466 HydrophobicContact CG1-CG 4.26Å; V462-R466 WeakPolarHBondContact O-CB 3.41Å; V462-R466 WeakPolarHBondContact O-CG 3.41Å; V462-R466 PolarHBondContact O-N 3.04Å; R463-R466 PolarHBondContact O-N 3.23Å; R466-R468 VanDerWaalsContact C-N 3.33Å; R466-N469 CarbonylContact O-C 3.59Å; R466-N469 VanDerWaalsContact O-C 3.22Å; R466-N469 PolarHBondContact O-N 3.41Å; R466-N469 VanDerWaalsContact O-O 3.09Å
467	A	91.9	Very high	91.4	Very high	73 Å²	73	58.7 Å²	58.7	60%	0.603	31%	0.313	S	S	*	.	H	α-helix	trans	-65.9	-37	175.7	0	0	0	0	0	112.2	R463 D464 N469	R463-A467 WeakPolarHBondContact O-CB 3.27Å; R463-A467 PolarHBondContact O-N 3.16Å; D464-A467 PolarHBondContact O-N 3.32Å; A467-N469 VanDerWaalsContact C-N 3.3Å
468	R	90.9	Very high	90.6	Very high	127 Å²	127	59.8 Å²	59.8	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-74.7	-18	175.5	-69.6	178	-58.5	140.5	-14.7	113.7	D464 M465 R466 P470 E491	D464-R468 WeakPolarHBondContact O-CB 3.4Å; D464-R468 VanDerWaalsContact O-CG 3.28Å; D464-R468 WeakPolarHBondContact O-CG 3.22Å; D464-R468 PolarHBondContact O-N 2.65Å; D464-R468 PolarHBondContact O-NE 2.8Å; M465-R468 PolarHBondContact O-N 3.03Å; R466-R468 VanDerWaalsContact C-N 3.33Å; R468-P470 WeakPolarHBondContact O-CD 3.17Å; R468-E491 HydrophobicContact CB-CB 4.48Å; R468-E491 WeakPolarHBondContact CB-OE2 3.47Å; R468-E491 VanDerWaalsContact CD-OE2 3.23Å; R468-E491 WeakPolarHBondContact CD-OE2 3.3Å; R468-E491 IonicContact CZ-OE2 2.87Å; R468-E491 IonicContact NE-OE2 2.83Å; R468-E491 IonicContact NH1-OE2 2.95Å; R468-E491 PolarHBondContact NH1-OE2 3.15Å
469	N	92.2	Very high	89.8	Confident	7 Å²	7	62.8 Å²	62.8	4%	0.037	34%	0.34	C	S	.	.	S	Bend	trans	-124.9	74.6	176.7	-58.2	-91.3	0	0	0	111.1	L422 M465 R466 A467 K471 H488 E489	L422-N469 HydrophobicContact CD1-CB 3.93Å; L422-N469 HydrophobicContact CD2-CB 3.74Å; M465-N469 PolarHBondContact O-N 2.77Å; M465-N469 PolarHBondContact O-ND2 3.26Å; R466-N469 CarbonylContact O-C 3.59Å; R466-N469 VanDerWaalsContact O-C 3.22Å; R466-N469 PolarHBondContact O-N 3.41Å; R466-N469 VanDerWaalsContact O-O 3.09Å; A467-N469 VanDerWaalsContact C-N 3.3Å; N469-K471 PolarHBondContact O-N 3.04Å; N469-H488 HydrophobicContact CB-CB 4.23Å; N469-H488 PolarHBondContact O-ND1 2.96Å; N469-E489 WeakPolarHBondContact CA-O 3.49Å
470	P	91.8	Very high	89.2	Confident	59 Å²	59	66.2 Å²	66.2	38%	0.383	36%	0.36	S	S	.	.			trans	-55.2	131.2	-177.3	-24.6	33	0	0	0	112.5	R468 H488 E489	R468-P470 WeakPolarHBondContact O-CD 3.17Å; P470-H488 CarbonylContact O-C 3.53Å; P470-H488 VanDerWaalsContact O-CA 3.26Å; P470-H488 WeakPolarHBondContact O-CA 3.37Å; P470-E489 PolarHBondContact O-N 3.14Å
471	K	93.5	Very high	88.8	Confident	85 Å²	85	67.4 Å²	67.4	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.1	177.3	-178	-175.3	-80	-175.1	0	110.1	N469 E474	N469-K471 PolarHBondContact O-N 3.04Å; K471-E474 HydrophobicContact CD-CB 4.02Å; K471-E474 WeakPolarHBondContact CD-OE2 3.46Å; K471-E474 IonicContact NZ-OE1 3.79Å; K471-E474 PolarHBondContact NZ-OE1 3.1Å; K471-E474 IonicContact NZ-OE2 3.95Å; K471-E474 PolarHBondContact NZ-OE2 2.89Å
472	V	91.9	Very high	88.5	Confident	60 Å²	60	69.6 Å²	69.6	36%	0.364	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-15.7	-179.6	-65	0	0	0	0	113.8	I487 E489 F565	V472-I487 HydrophobicContact CG2-CB 4.03Å; V472-I487 HydrophobicContact CG2-CG2 3.74Å; V472-I487 WeakPolarHBondContact CG2-O 3.48Å; V472-I487 PolarHBondContact N-O 3.48Å; V472-E489 HydrophobicContact CG1-CG 3.8Å; V472-F565 HydrophobicContact CB-CD2 4.45Å; V472-F565 HydrophobicContact CG2-CD2 3.82Å; V472-F565 HydrophobicContact CG2-CE2 3.82Å
473	G	90.6	Very high	88.5	Confident	9 Å²	9	70.2 Å²	70.2	9%	0.093	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	150.6	174.1	0	0	0	0	0	111.2	S486 I487	G473-S486 CarbonylContact O-C 3.6Å; G473-S486 VanDerWaalsContact O-CA 3.28Å; G473-S486 WeakPolarHBondContact O-CA 3.43Å; G473-I487 PolarHBondContact N-O 3.25Å; G473-I487 PolarHBondContact O-N 3.14Å
474	E	92.8	Very high	88.6	Confident	52 Å²	52	61.2 Å²	61.2	24%	0.243	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	134.4	178.5	173.8	168.2	-142.7	0	0	111.5	R425 K471 L485	R425-E474 WeakPolarHBondContact CD-OE1 3.48Å; R425-E474 WeakPolarHBondContact CG-OE1 3.46Å; K471-E474 HydrophobicContact CD-CB 4.02Å; K471-E474 WeakPolarHBondContact CD-OE2 3.46Å; K471-E474 IonicContact NZ-OE1 3.79Å; K471-E474 PolarHBondContact NZ-OE1 3.1Å; K471-E474 IonicContact NZ-OE2 3.95Å; K471-E474 PolarHBondContact NZ-OE2 2.89Å; E474-L485 CarbonylContact C-O 3.51Å; E474-L485 WeakPolarHBondContact CA-O 3.34Å
475	I	91	Very high	88.7	Confident	16 Å²	16	56.8 Å²	56.8	8%	0.082	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	107.6	164.9	-60.3	178.4	0	0	0	106.2	L485 C567 T570 F572	I475-L485 HydrophobicContact CB-CB 4.33Å; I475-L485 HydrophobicContact CB-CD2 4.45Å; I475-L485 HydrophobicContact CD1-CD2 4.14Å; I475-L485 HydrophobicContact CG1-CD2 4.13Å; I475-L485 PolarHBondContact N-O 3.08Å; I475-L485 PolarHBondContact O-N 2.93Å; I475-C567 HydrophobicContact CG1-CB 4.03Å; I475-T570 HydrophobicContact CD1-CG2 4.04Å; I475-F572 HydrophobicContact CD1-CE2 4.29Å; I475-F572 HydrophobicContact CD1-CZ 3.94Å
476	P	87.3	Confident	88.8	Confident	65 Å²	65	56 Å²	56	42%	0.422	30%	0.303	S	S	.	.			trans	-65.3	158.2	178.8	28.9	-34.5	0	0	0	110.6	N478	P476-N478 PolarHBondContact O-N 3.43Å
477	F	85.8	Confident	88.8	Confident	107 Å²	107	53.4 Å²	53.4	47%	0.469	29%	0.293	S	S	.	.			trans	-57.2	130.1	176.4	-175.2	-92.3	0	0	0	111.1	Q484	F477-Q484 HydrophobicContact CB-CB 4.17Å
478	N	75.6	Confident	88.9	Confident	81 Å²	81	50.1 Å²	50.1	43%	0.433	27%	0.265	S	S	.	.			trans	-131.7	140.5	173.1	-174.7	-4.3	0	0	0	109.8	P476 T480 N481 K482	P476-N478 PolarHBondContact O-N 3.43Å; N478-T480 PolarHBondContact O-N 3.48Å; N478-T480 PolarHBondContact OD1-N 3.32Å; N478-N481 PolarHBondContact O-N 2.83Å; N478-N481 VanDerWaalsContact O-N 3.16Å; N478-K482 PolarHBondContact O-N 3.37Å
479	S	72.4	Confident	88.8	Confident	94 Å²	94	46 Å²	46	66%	0.657	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.8	179.9	-52.9	0	0	0	0	113.8	K482	S479-K482 WeakPolarHBondContact O-CG 3.28Å
480	T	76	Confident	88.2	Confident	118 Å²	118	46.5 Å²	46.5	72%	0.724	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-44.4	176.4	-49.5	0	0	0	0	111.6	N478	N478-T480 PolarHBondContact O-N 3.48Å; N478-T480 PolarHBondContact OD1-N 3.32Å
481	N	82.1	Confident	87.3	Confident	62 Å²	62	48.4 Å²	48.4	33%	0.332	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-31.1	-176.2	-69.3	-1	0	0	0	112.2	N478 Y483	N478-N481 PolarHBondContact O-N 2.83Å; N478-N481 VanDerWaalsContact O-N 3.16Å; N481-Y483 HydrophobicContact CB-CD1 4Å; N481-Y483 HydrophobicContact CB-CE1 3.73Å; N481-Y483 WeakPolarHBondContact O-CD1 3.01Å; N481-Y483 PolarHBondContact O-N 2.86Å
482	K	88.9	Confident	86	Confident	87 Å²	87	49.7 Å²	49.7	38%	0.378	27%	0.269	S	S	.	.			trans	58.9	19	-177.8	-58.1	-171.9	174.8	-167.6	0	115.4	N478 S479 G503 A504 R507	N478-K482 PolarHBondContact O-N 3.37Å; S479-K482 WeakPolarHBondContact O-CG 3.28Å; K482-G503 WeakPolarHBondContact O-CA 3.47Å; K482-A504 HydrophobicContact CB-CB 4.41Å; K482-A504 PolarHBondContact O-N 3.18Å; K482-A504 VanDerWaalsContact O-N 3.13Å; K482-R507 HydrophobicContact CB-CG 4.17Å; K482-R507 HydrophobicContact CD-CG 4.29Å
483	Y	92.8	Very high	84.9	Confident	13 Å²	13	50.4 Å²	50.4	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.2	171.8	66.8	-99.8	0	0	0	110.6	N481 L485 M501 K502	N481-Y483 HydrophobicContact CB-CD1 4Å; N481-Y483 HydrophobicContact CB-CE1 3.73Å; N481-Y483 WeakPolarHBondContact O-CD1 3.01Å; N481-Y483 PolarHBondContact O-N 2.86Å; Y483-L485 HydrophobicContact CD2-CB 4.22Å; Y483-L485 HydrophobicContact CE2-CB 4.23Å; Y483-M501 HydrophobicContact CD1-SD 4.46Å; Y483-M501 HydrophobicContact CD2-CE 3.9Å; Y483-M501 HydrophobicContact CD2-CG 4.01Å; Y483-M501 HydrophobicContact CD2-SD 3.87Å; Y483-M501 HydrophobicContact CE2-CE 3.97Å; Y483-M501 HydrophobicContact CE2-SD 4.49Å; Y483-M501 HydrophobicContact CG-CE 4.39Å; Y483-M501 HydrophobicContact CG-CG 4.26Å; Y483-M501 HydrophobicContact CG-SD 3.87Å; Y483-K502 CarbonylContact C-O 3.55Å; Y483-K502 VanDerWaalsContact CA-O 3.3Å; Y483-K502 WeakPolarHBondContact CA-O 3.42Å
484	Q	94.3	Very high	83.4	Confident	7 Å²	7	54.5 Å²	54.5	3%	0.033	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.2	168.3	178.9	178.3	-6.9	0	0	107.9	C423 E448 F477 M501 K502	C423-Q484 PolarHBondContact SG-O 3.19Å; E448-Q484 PolarHBondContact OE1-NE2 3.37Å; E448-Q484 PolarHBondContact OE1-OE1 2.89Å; E448-Q484 VanDerWaalsContact OE1-OE1 3.08Å; F477-Q484 HydrophobicContact CB-CB 4.17Å; Q484-M501 VanDerWaalsContact O-CA 3.31Å; Q484-M501 WeakPolarHBondContact O-CA 3.27Å; Q484-M501 WeakPolarHBondContact O-CG 3.36Å; Q484-K502 HydrophobicContact CB-CG 4.28Å; Q484-K502 PolarHBondContact N-O 3.48Å; Q484-K502 PolarHBondContact O-N 3.39Å
485	L	94.6	Very high	81.8	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.4	-177.6	168.9	150.5	0	0	0	110.3	E474 I475 Y483 I487 L499 V500 M501 F572 T574	E474-L485 CarbonylContact C-O 3.51Å; E474-L485 WeakPolarHBondContact CA-O 3.34Å; I475-L485 HydrophobicContact CB-CB 4.33Å; I475-L485 HydrophobicContact CB-CD2 4.45Å; I475-L485 HydrophobicContact CD1-CD2 4.14Å; I475-L485 HydrophobicContact CG1-CD2 4.13Å; I475-L485 PolarHBondContact N-O 3.08Å; I475-L485 PolarHBondContact O-N 2.93Å; Y483-L485 HydrophobicContact CD2-CB 4.22Å; Y483-L485 HydrophobicContact CE2-CB 4.23Å; L485-I487 HydrophobicContact CD2-CG1 4.17Å; L485-L499 HydrophobicContact CD1-CD1 3.9Å; L485-L499 HydrophobicContact CD1-CD2 3.69Å; L485-L499 HydrophobicContact CD1-CG 3.82Å; L485-L499 HydrophobicContact CG-CD2 4.32Å; L485-L499 HydrophobicContact CG-CG 4.25Å; L485-V500 WeakPolarHBondContact CA-O 3.44Å; L485-M501 HydrophobicContact CB-CB 4.43Å; L485-M501 HydrophobicContact CB-CE 4.32Å; L485-M501 HydrophobicContact CB-CG 4.34Å; L485-M501 HydrophobicContact CD1-CE 3.46Å; L485-M501 VanDerWaalsContact CD1-CE 3.46Å; L485-M501 HydrophobicContact CG-CE 4.48Å; L485-F572 HydrophobicContact CD1-CE2 4.07Å; L485-F572 HydrophobicContact CD2-CE2 3.67Å; L485-F572 HydrophobicContact CD2-CZ 3.99Å; L485-T574 HydrophobicContact CD1-CG2 4.44Å
486	S	95.1	Very high	81.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.4	169	43.1	0	0	0	0	111.3	G473 H488 V500	G473-S486 CarbonylContact O-C 3.6Å; G473-S486 VanDerWaalsContact O-CA 3.28Å; G473-S486 WeakPolarHBondContact O-CA 3.43Å; S486-H488 WeakPolarHBondContact CB-NE2 3.34Å; S486-H488 PolarHBondContact OG-NE2 2.9Å; S486-H488 VanDerWaalsContact OG-NE2 3.14Å; S486-V500 PolarHBondContact N-O 2.9Å; S486-V500 VanDerWaalsContact O-CG2 3.31Å; S486-V500 WeakPolarHBondContact O-CG2 3.28Å; S486-V500 PolarHBondContact O-N 3.4Å; S486-V500 VanDerWaalsContact OG-CG2 3.26Å; S486-V500 WeakPolarHBondContact OG-CG2 3.33Å
487	I	94.4	Very high	81.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.9	-179.3	-54.6	175.4	0	0	0	107.6	V472 G473 L485 H497 L498 L499 L554 F565 F572	V472-I487 HydrophobicContact CG2-CB 4.03Å; V472-I487 HydrophobicContact CG2-CG2 3.74Å; V472-I487 WeakPolarHBondContact CG2-O 3.48Å; V472-I487 PolarHBondContact N-O 3.48Å; G473-I487 PolarHBondContact N-O 3.25Å; G473-I487 PolarHBondContact O-N 3.14Å; L485-I487 HydrophobicContact CD2-CG1 4.17Å; I487-H497 HydrophobicContact CG2-CB 4.03Å; I487-L498 WeakPolarHBondContact CA-O 3.5Å; I487-L499 HydrophobicContact CG1-CB 4.42Å; I487-L499 HydrophobicContact CG1-CD1 4.5Å; I487-L499 HydrophobicContact CG1-CG 4.31Å; I487-L554 HydrophobicContact CG2-CD1 4.24Å; I487-F565 HydrophobicContact CD1-CB 4.21Å; I487-F565 HydrophobicContact CD1-CD1 3.43Å; I487-F565 VanDerWaalsContact CD1-CD1 3.43Å; I487-F565 HydrophobicContact CD1-CD2 4.41Å; I487-F565 HydrophobicContact CD1-CE1 3.82Å; I487-F565 HydrophobicContact CD1-CG 3.76Å; I487-F565 HydrophobicContact CD1-CZ 4.46Å; I487-F565 HydrophobicContact CG2-CD2 4.29Å; I487-F565 HydrophobicContact CG2-CE1 4.26Å; I487-F565 HydrophobicContact CG2-CE2 3.92Å; I487-F565 HydrophobicContact CG2-CZ 3.89Å; I487-F572 HydrophobicContact CD1-CB 4.46Å; I487-F572 HydrophobicContact CD1-CD1 3.79Å; I487-F572 HydrophobicContact CD1-CD2 3.93Å; I487-F572 HydrophobicContact CD1-CE1 3.91Å; I487-F572 HydrophobicContact CD1-CE2 4.05Å; I487-F572 HydrophobicContact CD1-CG 3.79Å; I487-F572 HydrophobicContact CD1-CZ 4.03Å
488	H	93.5	Very high	81.6	Confident	3 Å²	3	46.9 Å²	46.9	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.6	-173.9	-63.2	-101.9	0	0	0	111.6	L422 N469 P470 S486 H497 L498	L422-H488 HydrophobicContact CD1-CB 4.46Å; N469-H488 HydrophobicContact CB-CB 4.23Å; N469-H488 PolarHBondContact O-ND1 2.96Å; P470-H488 CarbonylContact O-C 3.53Å; P470-H488 VanDerWaalsContact O-CA 3.26Å; P470-H488 WeakPolarHBondContact O-CA 3.37Å; S486-H488 WeakPolarHBondContact CB-NE2 3.34Å; S486-H488 PolarHBondContact OG-NE2 2.9Å; S486-H488 VanDerWaalsContact OG-NE2 3.14Å; H488-H497 CarbonylContact O-C 3.5Å; H488-H497 WeakPolarHBondContact O-CA 3.45Å; H488-L498 PolarHBondContact N-O 2.96Å; H488-L498 PolarHBondContact O-N 3.28Å
489	E	89.3	Confident	82.6	Confident	42 Å²	42	43 Å²	43	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.4	161.9	-60.6	-167.1	156.3	0	0	108.9	N469 P470 V472 R561	N469-E489 WeakPolarHBondContact CA-O 3.49Å; P470-E489 PolarHBondContact O-N 3.14Å; V472-E489 HydrophobicContact CG1-CG 3.8Å; E489-R561 IonicContact OE1-NE 3.86Å; E489-R561 PolarHBondContact OE1-NE 2.96Å; E489-R561 IonicContact OE2-CZ 3.72Å; E489-R561 IonicContact OE2-NE 3.01Å; E489-R561 PolarHBondContact OE2-NE 3.1Å; E489-R561 IonicContact OE2-NH2 3.43Å; E489-R561 PolarHBondContact OE2-NH2 3.29Å
490	V	79.8	Confident	83.7	Confident	17 Å²	17	38.6 Å²	38.6	10%	0.103	21%	0.213	C	C	.	.			trans	-97.2	134.7	-176	-166.5	0	0	0	0	111	D492 N493 L498	V490-D492 HydrophobicContact CG1-CB 4.2Å; V490-N493 CarbonylContact O-C 3.57Å; V490-L498 HydrophobicContact CG2-CB 3.4Å
491	E	71.2	Confident	84.7	Confident	98 Å²	98	33 Å²	33	46%	0.458	18%	0.179	S	C	.	.	S	Bend	trans	-62.1	-46.6	174.1	-174.5	176.9	-158.4	0	0	112	R468 N493	R468-E491 HydrophobicContact CB-CB 4.48Å; R468-E491 WeakPolarHBondContact CB-OE2 3.47Å; R468-E491 VanDerWaalsContact CD-OE2 3.23Å; R468-E491 WeakPolarHBondContact CD-OE2 3.3Å; R468-E491 IonicContact CZ-OE2 2.87Å; R468-E491 IonicContact NE-OE2 2.83Å; R468-E491 IonicContact NH1-OE2 2.95Å; R468-E491 PolarHBondContact NH1-OE2 3.15Å; E491-N493 VanDerWaalsContact C-N 3.31Å; E491-N493 PolarHBondContact O-N 2.9Å
492	D	67.6	Low	85.4	Confident	113 Å²	113	30.6 Å²	30.6	60%	0.604	17%	0.166	S	C	*	.	S	Bend	trans	-70.1	-22.6	-173.8	-59	-39.7	0	0	0	113.8	R418 V490	R418-D492 IonicContact CZ-OD2 2.73Å; R418-D492 IonicContact NH1-OD2 3.41Å; R418-D492 PolarHBondContact NH1-OD2 3.4Å; R418-D492 VanDerWaalsContact NH1-OD2 3.13Å; R418-D492 IonicContact NH2-OD2 3.22Å; R418-D492 PolarHBondContact NH2-OD2 3.17Å; V490-D492 HydrophobicContact CG1-CB 4.2Å
493	N	67.8	Low	85.7	Confident	75 Å²	75	26.6 Å²	26.6	40%	0.401	15%	0.149	S	C	.	.			trans	-135.7	93.5	177.8	-172.5	-7	0	0	0	110.4	V490 E491 S495 G496	V490-N493 CarbonylContact O-C 3.57Å; E491-N493 VanDerWaalsContact C-N 3.31Å; E491-N493 PolarHBondContact O-N 2.9Å; N493-S495 PolarHBondContact O-N 3.11Å; N493-S495 PolarHBondContact OD1-N 3.34Å; N493-S495 PolarHBondContact OD1-OG 2.94Å; N493-G496 PolarHBondContact O-N 2.94Å
494	P	59.2	Low	85.7	Confident	95 Å²	95	27 Å²	27	62%	0.617	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-6.5	-173.7	-22.5	31.6	0	0	0	115.9
495	S	59	Low	85.7	Confident	61 Å²	61	26.9 Å²	26.9	43%	0.427	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-7.6	-179.4	67.2	0	0	0	0	114.3	N493 P556	N493-S495 PolarHBondContact O-N 3.11Å; N493-S495 PolarHBondContact OD1-N 3.34Å; N493-S495 PolarHBondContact OD1-OG 2.94Å; S495-P556 VanDerWaalsContact O-CB 3.32Å; S495-P556 WeakPolarHBondContact O-CB 3.34Å
496	G	77.5	Confident	85.5	Confident	9 Å²	9	30.1 Å²	30.1	9%	0.093	17%	0.17	C	C	.	.			trans	-108.7	151	-174.4	0	0	0	0	0	113.5	N493	N493-G496 PolarHBondContact O-N 2.94Å
497	H	90.3	Very high	85.5	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.028	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.6	168.3	-64.2	94	0	0	0	109.4	I487 H488 L554 F559 P560 F565	I487-H497 HydrophobicContact CG2-CB 4.03Å; H488-H497 CarbonylContact O-C 3.5Å; H488-H497 WeakPolarHBondContact O-CA 3.45Å; H497-L554 HydrophobicContact CB-CB 4.17Å; H497-L554 HydrophobicContact CB-CD1 3.97Å; H497-L554 WeakPolarHBondContact O-CB 3.33Å; H497-L554 PolarHBondContact O-N 2.96Å; H497-F559 PolarHBondContact CE1-O 3.43Å; H497-F559 PolarHBondContact ND1-O 3.22Å; H497-P560 PolarHBondContact CE1-O 2.72Å; H497-F565 HydrophobicContact CB-CZ 4.22Å; H497-F565 AromaticContact CD2-CE2 3.7Å; H497-F565 AromaticContact CD2-CZ 4Å; H497-F565 AromaticContact CG-CZ 3.84Å; H497-F565 AromaticContact NE2-CE2 3.79Å
498	L	93.2	Very high	85.5	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.7	173	178.4	69.8	0	0	0	109.1	L422 I487 H488 V490 V500 H551 N553	L422-L498 HydrophobicContact CD1-CD2 4.39Å; I487-L498 WeakPolarHBondContact CA-O 3.5Å; H488-L498 PolarHBondContact N-O 2.96Å; H488-L498 PolarHBondContact O-N 3.28Å; V490-L498 HydrophobicContact CG2-CB 3.4Å; L498-V500 HydrophobicContact CD2-CG1 3.74Å; L498-V500 HydrophobicContact CG-CG1 3.73Å; L498-H551 HydrophobicContact CD1-CB 4.07Å; L498-N553 WeakPolarHBondContact CD1-OD1 3.39Å
499	L	95.2	Very high	85.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.9	169	-178.2	159.5	0	0	0	108.3	L485 I487 H551 L552 L554 F572 P573 L577	L485-L499 HydrophobicContact CD1-CD1 3.9Å; L485-L499 HydrophobicContact CD1-CD2 3.69Å; L485-L499 HydrophobicContact CD1-CG 3.82Å; L485-L499 HydrophobicContact CG-CD2 4.32Å; L485-L499 HydrophobicContact CG-CG 4.25Å; I487-L499 HydrophobicContact CG1-CB 4.42Å; I487-L499 HydrophobicContact CG1-CD1 4.5Å; I487-L499 HydrophobicContact CG1-CG 4.31Å; L499-H551 CarbonylContact O-C 3.59Å; L499-H551 WeakPolarHBondContact O-CA 3.5Å; L499-H551 WeakPolarHBondContact O-CB 3.33Å; L499-L552 HydrophobicContact CB-CB 4.46Å; L499-L552 PolarHBondContact N-O 2.92Å; L499-L552 PolarHBondContact O-N 2.99Å; L499-L554 HydrophobicContact CB-CD1 4.39Å; L499-L554 HydrophobicContact CB-CG 4.3Å; L499-L554 HydrophobicContact CD1-CD2 4.48Å; L499-F572 HydrophobicContact CD1-CD2 3.85Å; L499-F572 HydrophobicContact CD1-CE2 4.46Å; L499-P573 WeakPolarHBondContact CD1-O 3.41Å; L499-L577 HydrophobicContact CD2-CD2 3.78Å
500	V	97	Very high	85.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.4	178.9	-62.7	0	0	0	0	109.8	V419 L422 C423 L485 S486 L498 H551	V419-V500 HydrophobicContact CB-CG1 4.48Å; V419-V500 HydrophobicContact CG1-CB 4.06Å; V419-V500 HydrophobicContact CG2-CB 4.2Å; V419-V500 HydrophobicContact CG2-CG1 3.81Å; L422-V500 HydrophobicContact CB-CG2 4.33Å; C423-V500 HydrophobicContact CB-CB 4.23Å; C423-V500 HydrophobicContact CB-CG2 3.68Å; L485-V500 WeakPolarHBondContact CA-O 3.44Å; S486-V500 PolarHBondContact N-O 2.9Å; S486-V500 VanDerWaalsContact O-CG2 3.31Å; S486-V500 WeakPolarHBondContact O-CG2 3.28Å; S486-V500 PolarHBondContact O-N 3.4Å; S486-V500 VanDerWaalsContact OG-CG2 3.26Å; S486-V500 WeakPolarHBondContact OG-CG2 3.33Å; L498-V500 HydrophobicContact CD2-CG1 3.74Å; L498-V500 HydrophobicContact CG-CG1 3.73Å; V500-H551 HydrophobicContact CG1-CB 4.38Å
501	M	96.8	Very high	86.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.5	-178.5	-176	-170.4	-66.3	0	0	110.9	Y483 Q484 L485 I508 C550 L577	Y483-M501 HydrophobicContact CD1-SD 4.46Å; Y483-M501 HydrophobicContact CD2-CE 3.9Å; Y483-M501 HydrophobicContact CD2-CG 4.01Å; Y483-M501 HydrophobicContact CD2-SD 3.87Å; Y483-M501 HydrophobicContact CE2-CE 3.97Å; Y483-M501 HydrophobicContact CE2-SD 4.49Å; Y483-M501 HydrophobicContact CG-CE 4.39Å; Y483-M501 HydrophobicContact CG-CG 4.26Å; Y483-M501 HydrophobicContact CG-SD 3.87Å; Q484-M501 VanDerWaalsContact O-CA 3.31Å; Q484-M501 WeakPolarHBondContact O-CA 3.27Å; Q484-M501 WeakPolarHBondContact O-CG 3.36Å; L485-M501 HydrophobicContact CB-CB 4.43Å; L485-M501 HydrophobicContact CB-CE 4.32Å; L485-M501 HydrophobicContact CB-CG 4.34Å; L485-M501 HydrophobicContact CD1-CE 3.46Å; L485-M501 VanDerWaalsContact CD1-CE 3.46Å; L485-M501 HydrophobicContact CG-CE 4.48Å; M501-I508 HydrophobicContact CG-CD1 3.71Å; M501-I508 HydrophobicContact SD-CD1 3.64Å; M501-C550 PolarHBondContact N-O 3.38Å; M501-C550 PolarHBondContact O-N 3.21Å; M501-L577 HydrophobicContact CE-CD1 3.68Å; M501-L577 HydrophobicContact SD-CD1 3.9Å
502	K	96.6	Very high	87.6	Confident	12 Å²	12	37 Å²	37	5%	0.052	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.6	170.4	74.6	179.9	-177.3	-162.9	0	110.8	C423 E448 L451 Y483 Q484 G548 F549	C423-K502 VanDerWaalsContact O-CD 3.28Å; C423-K502 WeakPolarHBondContact O-CD 3.27Å; C423-K502 WeakPolarHBondContact O-CE 3.22Å; C423-K502 PolarHBondContact O-NZ 2.97Å; E448-K502 VanDerWaalsContact CG-NZ 3.35Å; E448-K502 IonicContact OE1-NZ 2.81Å; E448-K502 PolarHBondContact OE1-NZ 2.6Å; L451-K502 HydrophobicContact CD1-CD 4.42Å; Y483-K502 CarbonylContact C-O 3.55Å; Y483-K502 VanDerWaalsContact CA-O 3.3Å; Y483-K502 WeakPolarHBondContact CA-O 3.42Å; Q484-K502 HydrophobicContact CB-CG 4.28Å; Q484-K502 PolarHBondContact N-O 3.48Å; Q484-K502 PolarHBondContact O-N 3.39Å; K502-G548 VanDerWaalsContact CA-O 3.23Å; K502-G548 WeakPolarHBondContact CA-O 3.24Å; K502-F549 HydrophobicContact CB-CD1 3.69Å; K502-F549 HydrophobicContact CB-CE1 3.64Å; K502-F549 HydrophobicContact CB-CG 4.39Å; K502-F549 HydrophobicContact CB-CZ 4.29Å; K502-F549 HydrophobicContact CD-CE1 3.96Å; K502-F549 HydrophobicContact CD-CZ 4.48Å; K502-F549 HydrophobicContact CG-CE1 4.42Å
503	G	94.5	Very high	89	Confident	3 Å²	3	34.1 Å²	34.1	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-163.8	-179.5	0	0	0	0	0	113.9	K482 G548	K482-G503 WeakPolarHBondContact O-CA 3.47Å; G503-G548 PolarHBondContact N-O 3.24Å; G503-G548 VanDerWaalsContact N-O 3.09Å; G503-G548 PolarHBondContact O-N 2.93Å
504	A	92.9	Very high	90.3	Very high	22 Å²	22	32 Å²	32	18%	0.182	18%	0.176	C	C	.	.			trans	-58.4	131	173.5	0	0	0	0	0	110	K482 E506 R507 I508	K482-A504 HydrophobicContact CB-CB 4.41Å; K482-A504 PolarHBondContact O-N 3.18Å; K482-A504 VanDerWaalsContact O-N 3.13Å; A504-E506 VanDerWaalsContact C-N 3.33Å; A504-E506 WeakPolarHBondContact CB-OE1 3.49Å; A504-E506 PolarHBondContact O-N 3.47Å; A504-R507 HydrophobicContact CB-CB 4.22Å; A504-R507 HydrophobicContact CB-CG 4.04Å; A504-R507 WeakPolarHBondContact O-CB 3.35Å; A504-R507 PolarHBondContact O-N 2.97Å; A504-I508 WeakPolarHBondContact O-CG1 3.18Å; A504-I508 PolarHBondContact O-N 3Å
505	P	93.6	Very high	92.1	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-49.3	-49.4	-171.8	-30.9	37	0	0	0	113.8	R507 I508 L509 F532 Y536 V546 L582	P505-R507 VanDerWaalsContact C-N 3.31Å; P505-R507 PolarHBondContact O-N 2.9Å; P505-I508 PolarHBondContact O-N 2.88Å; P505-L509 PolarHBondContact O-N 3.14Å; P505-F532 HydrophobicContact CB-CE2 4.48Å; P505-F532 HydrophobicContact CB-CZ 3.73Å; P505-Y536 HydrophobicContact CB-CD2 4.12Å; P505-Y536 HydrophobicContact CB-CE2 4.15Å; P505-Y536 HydrophobicContact CG-CD2 4.06Å; P505-Y536 HydrophobicContact CG-CE2 3.82Å; P505-V546 WeakPolarHBondContact CD-O 3.22Å; P505-V546 HydrophobicContact CG-CB 3.97Å; P505-V546 HydrophobicContact CG-CG1 3.93Å; P505-V546 WeakPolarHBondContact CG-O 3.48Å; P505-L582 HydrophobicContact CB-CD2 3.9Å; P505-L582 HydrophobicContact CG-CD2 4.26Å
506	E	92.1	Very high	93.8	Very high	69 Å²	69	25.4 Å²	25.4	32%	0.322	13%	0.131	S	C	.	.	H	α-helix	trans	-63.3	-36.9	-179.2	70.9	-72.7	174.8	0	0	112.2	A504 D510	A504-E506 VanDerWaalsContact C-N 3.33Å; A504-E506 WeakPolarHBondContact CB-OE1 3.49Å; A504-E506 PolarHBondContact O-N 3.47Å; E506-D510 VanDerWaalsContact O-CG 3.26Å; E506-D510 PolarHBondContact O-N 2.84Å; E506-D510 VanDerWaalsContact O-N 3.13Å
507	R	93.6	Very high	94.6	Very high	118 Å²	118	25.9 Å²	25.9	45%	0.445	13%	0.131	S	C	.	.	H	α-helix	trans	-73.6	-29.6	-179.9	-64.7	-63	179	172.7	-1.5	113	K482 A504 P505 R511	K482-R507 HydrophobicContact CB-CG 4.17Å; K482-R507 HydrophobicContact CD-CG 4.29Å; A504-R507 HydrophobicContact CB-CB 4.22Å; A504-R507 HydrophobicContact CB-CG 4.04Å; A504-R507 WeakPolarHBondContact O-CB 3.35Å; A504-R507 PolarHBondContact O-N 2.97Å; P505-R507 VanDerWaalsContact C-N 3.31Å; P505-R507 PolarHBondContact O-N 2.9Å; R507-R511 WeakPolarHBondContact O-CG 3.38Å
508	I	95.3	Very high	94.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-76.5	-43.7	176.3	-63.8	-62.3	0	0	0	109.8	M501 A504 P505 D510 R511 C512 C550 F579	M501-I508 HydrophobicContact CG-CD1 3.71Å; M501-I508 HydrophobicContact SD-CD1 3.64Å; A504-I508 WeakPolarHBondContact O-CG1 3.18Å; A504-I508 PolarHBondContact O-N 3Å; P505-I508 PolarHBondContact O-N 2.88Å; I508-D510 VanDerWaalsContact C-N 3.34Å; I508-D510 PolarHBondContact O-N 2.82Å; I508-R511 PolarHBondContact O-N 3.05Å; I508-R511 VanDerWaalsContact O-N 3.1Å; I508-C512 PolarHBondContact O-N 3.36Å; I508-C512 PolarHBondContact O-SG 2.82Å; I508-C550 HydrophobicContact CG2-CB 3.93Å; I508-F579 HydrophobicContact CG2-CD2 3.96Å; I508-F579 HydrophobicContact CG2-CE2 3.92Å
509	L	93.8	Very high	94.5	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.068	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-43.2	177.9	-167.2	75.3	0	0	0	112.1	P505 R511 C512 L524 R529 F532 F579	P505-L509 PolarHBondContact O-N 3.14Å; L509-R511 PolarHBondContact O-N 3.4Å; L509-R511 VanDerWaalsContact O-N 3.07Å; L509-C512 PolarHBondContact O-N 3.41Å; L509-L524 HydrophobicContact CD1-CD1 4.27Å; L509-L524 HydrophobicContact CD1-CD2 3.92Å; L509-L524 HydrophobicContact CG-CD2 4.34Å; L509-R529 HydrophobicContact CD2-CG 4.41Å; L509-F532 HydrophobicContact CB-CE1 4.36Å; L509-F532 HydrophobicContact CB-CE2 4.35Å; L509-F532 HydrophobicContact CB-CZ 4.08Å; L509-F532 HydrophobicContact CD1-CD1 4.44Å; L509-F532 HydrophobicContact CD1-CD2 3.91Å; L509-F532 HydrophobicContact CD1-CE2 4.12Å; L509-F532 HydrophobicContact CD1-CG 4.06Å; L509-F532 HydrophobicContact CD2-CD1 3.57Å; L509-F532 HydrophobicContact CD2-CD2 4.49Å; L509-F532 HydrophobicContact CD2-CE1 3.74Å; L509-F532 HydrophobicContact CD2-CG 3.99Å; L509-F532 HydrophobicContact CD2-CZ 4.23Å; L509-F532 HydrophobicContact CG-CD1 4.49Å; L509-F532 HydrophobicContact CG-CE1 4.48Å; L509-F579 HydrophobicContact CD1-CD2 4.25Å; L509-F579 HydrophobicContact CD1-CE2 4.45Å
510	D	93.7	Very high	94.3	Very high	106 Å²	106	40.4 Å²	40.4	57%	0.567	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.1	177.5	-75.3	-16.6	0	0	0	113.8	E506 I508	E506-D510 VanDerWaalsContact O-CG 3.26Å; E506-D510 PolarHBondContact O-N 2.84Å; E506-D510 VanDerWaalsContact O-N 3.13Å; I508-D510 VanDerWaalsContact C-N 3.34Å; I508-D510 PolarHBondContact O-N 2.82Å
511	R	94.8	Very high	94.1	Very high	61 Å²	61	45.1 Å²	45.1	23%	0.23	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-4.1	-179.2	-66.4	-178.9	174.2	-69.3	-8.5	113.5	R507 I508 L509 T574 E575 Q576 L577	R507-R511 WeakPolarHBondContact O-CG 3.38Å; I508-R511 PolarHBondContact O-N 3.05Å; I508-R511 VanDerWaalsContact O-N 3.1Å; L509-R511 PolarHBondContact O-N 3.4Å; L509-R511 VanDerWaalsContact O-N 3.07Å; R511-T574 PolarHBondContact NH1-O 2.9Å; R511-T574 VanDerWaalsContact NH1-O 3.08Å; R511-E575 IonicContact NH1-OE1 3.35Å; R511-E575 CarbonylContact O-C 3.29Å; R511-Q576 PolarHBondContact O-N 3.39Å; R511-L577 HydrophobicContact CB-CD1 4.28Å; R511-L577 PolarHBondContact O-N 3.26Å
512	C	96.1	Very high	94	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.047	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	143.8	-177.1	-62	0	0	0	0	111.8	I508 L509 L524 C550 L577 F579	I508-C512 PolarHBondContact O-N 3.36Å; I508-C512 PolarHBondContact O-SG 2.82Å; L509-C512 PolarHBondContact O-N 3.41Å; C512-L524 HydrophobicContact CB-CD2 4.43Å; C512-C550 VanDerWaalsContact SG-CB 3.55Å; C512-L577 CarbonylContact C-O 3.56Å; C512-L577 WeakPolarHBondContact CA-O 3.28Å; C512-L577 WeakPolarHBondContact CB-O 3.41Å; C512-F579 HydrophobicContact CB-CB 3.86Å
513	S	95.4	Very high	93.9	Very high	51 Å²	51	53 Å²	53	36%	0.357	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-20.7	174.5	53.9	0	0	0	0	113.2	L524 Q576 L577	S513-L524 WeakPolarHBondContact O-CB 3.19Å; S513-L524 PolarHBondContact O-N 2.92Å; S513-Q576 WeakPolarHBondContact OG-CA 3.43Å; S513-Q576 WeakPolarHBondContact OG-CB 3.46Å; S513-Q576 PolarHBondContact OG-O 2.85Å; S513-L577 PolarHBondContact N-O 3.13Å
514	T	96.6	Very high	93.8	Very high	30 Å²	30	53.9 Å²	53.9	18%	0.184	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	162.2	174.2	55	0	0	0	0	110.2	E521 E522 L577 C578 F579	T514-E521 PolarHBondContact OG1-OE2 2.94Å; T514-E522 CarbonylContact C-O 3.59Å; T514-E522 WeakPolarHBondContact CA-O 3.37Å; T514-E522 WeakPolarHBondContact CB-O 3.31Å; T514-L577 PolarHBondContact N-O 3.33Å; T514-C578 CarbonylContact O-C 3.54Å; T514-C578 WeakPolarHBondContact O-CA 3.25Å; T514-C578 WeakPolarHBondContact OG1-CA 3.5Å; T514-C578 VanDerWaalsContact OG1-CB 3.27Å; T514-C578 WeakPolarHBondContact OG1-CB 3.28Å; T514-F579 PolarHBondContact O-N 2.94Å
515	I	96.4	Very high	93.8	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.7	173.9	-175.1	166.1	0	0	0	109.3	W387 M517 E521 E522 L524 W528 F579	W387-I515 HydrophobicContact CH2-CD1 4.2Å; W387-I515 HydrophobicContact CZ3-CD1 4.38Å; I515-M517 HydrophobicContact CG2-CG 4.41Å; I515-E521 WeakPolarHBondContact O-CA 3.42Å; I515-E522 HydrophobicContact CG2-CB 4.3Å; I515-E522 PolarHBondContact N-O 3.39Å; I515-E522 PolarHBondContact O-N 3.16Å; I515-L524 HydrophobicContact CB-CD1 4Å; I515-L524 HydrophobicContact CD1-CD1 4.43Å; I515-L524 HydrophobicContact CG2-CD1 4.31Å; I515-W528 HydrophobicContact CG2-CG 4.22Å; I515-F579 CarbonylContact C-O 3.6Å; I515-F579 WeakPolarHBondContact CA-O 3.49Å; I515-F579 HydrophobicContact CB-CB 4.46Å; I515-F579 HydrophobicContact CD1-CD1 4.11Å; I515-F579 HydrophobicContact CG1-CB 4.41Å; I515-F579 HydrophobicContact CG1-CD1 4.2Å
516	M	95.1	Very high	93.6	Very high	12 Å²	12	61.9 Å²	61.9	6%	0.059	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.5	176.8	-173.3	166.6	-71.3	0	0	111	T412 S415 Q520 E521 H551 F579 L580	T412-M516 HydrophobicContact CG2-CB 4.18Å; T412-M516 HydrophobicContact CG2-CG 4.04Å; S415-M516 PolarHBondContact OG-SD 3.4Å; S415-M516 VanDerWaalsContact OG-SD 3.37Å; M516-Q520 CarbonylContact C-O 3.46Å; M516-Q520 WeakPolarHBondContact CA-O 3.42Å; M516-E521 HydrophobicContact CE-CG 4.39Å; M516-H551 VanDerWaalsContact CE-NE2 3.32Å; M516-H551 WeakPolarHBondContact CE-NE2 3.3Å; M516-F579 PolarHBondContact N-O 2.92Å; M516-L580 HydrophobicContact CB-CD2 3.67Å; M516-L580 HydrophobicContact CE-CD2 3.92Å; M516-L580 HydrophobicContact CG-CD2 4.22Å; M516-L580 HydrophobicContact SD-CD2 3.61Å
517	M	93.3	Very high	93.6	Very high	20 Å²	20	64 Å²	64	10%	0.099	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.5	177.7	-65.9	-59.5	-65.4	0	0	109.7	N390 I515 G519 Q520 W528	N390-M517 HydrophobicContact CB-CE 4.11Å; I515-M517 HydrophobicContact CG2-CG 4.41Å; M517-G519 PolarHBondContact O-N 3.06Å; M517-Q520 PolarHBondContact N-O 2.96Å; M517-Q520 PolarHBondContact O-N 2.65Å; M517-W528 HydrophobicContact CE-CH2 3.84Å; M517-W528 HydrophobicContact CE-CZ2 4.37Å; M517-W528 HydrophobicContact CE-CZ3 4.33Å; M517-W528 HydrophobicContact CG-CZ2 4.44Å; M517-W528 HydrophobicContact SD-CH2 4.39Å
518	H	92	Very high	93.5	Very high	132 Å²	132	60.6 Å²	60.6	61%	0.611	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	35.3	-176.5	-55.6	-53.9	0	0	0	114	D389 T412	D389-H518 PolarHBondContact OD1-N 3.21Å; D389-H518 IonicContact OD1-ND1 2.71Å; D389-H518 IonicContact OD2-CE1 3.8Å; D389-H518 PolarHBondContact OD2-CE1 2.96Å; D389-H518 IonicContact OD2-CG 3.35Å; D389-H518 IonicContact OD2-ND1 2.79Å; D389-H518 PolarHBondContact OD2-ND1 2.82Å; T412-H518 WeakPolarHBondContact OG1-CA 3.46Å; T412-H518 PolarHBondContact OG1-N 3.37Å
519	G	88.8	Confident	93.3	Very high	40 Å²	40	64.2 Å²	64.2	41%	0.412	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	3.8	-177.6	0	0	0	0	0	116.7	T412 M517	T412-G519 PolarHBondContact OG1-N 3.27Å; T412-G519 VanDerWaalsContact OG1-N 3.12Å; M517-G519 PolarHBondContact O-N 3.06Å
520	Q	92.4	Very high	93.2	Very high	143 Å²	143	68.3 Å²	68.3	67%	0.668	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.7	172.4	-60.9	-169.4	8.8	0	0	111.2	M516 M517	M516-Q520 CarbonylContact C-O 3.46Å; M516-Q520 WeakPolarHBondContact CA-O 3.42Å; M517-Q520 PolarHBondContact N-O 2.96Å; M517-Q520 PolarHBondContact O-N 2.65Å
521	E	93.3	Very high	93.2	Very high	99 Å²	99	64.3 Å²	64.3	46%	0.463	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.4	176.1	-64	-170.2	-151	0	0	111	T514 I515 M516	T514-E521 PolarHBondContact OG1-OE2 2.94Å; I515-E521 WeakPolarHBondContact O-CA 3.42Å; M516-E521 HydrophobicContact CE-CG 4.39Å
522	E	93.6	Very high	93.2	Very high	77 Å²	77	61.5 Å²	61.5	36%	0.36	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	151.3	174.1	-66.1	-168.9	177.6	0	0	110.7	T514 I515	T514-E522 CarbonylContact C-O 3.59Å; T514-E522 WeakPolarHBondContact CA-O 3.37Å; T514-E522 WeakPolarHBondContact CB-O 3.31Å; I515-E522 HydrophobicContact CG2-CB 4.3Å; I515-E522 PolarHBondContact N-O 3.39Å; I515-E522 PolarHBondContact O-N 3.16Å
523	P	94.9	Very high	93	Very high	101 Å²	101	65.1 Å²	65.1	66%	0.656	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	138.3	174.5	27.2	-33.2	0	0	0	111.4	D525	P523-D525 PolarHBondContact O-N 3.28Å; P523-D525 VanDerWaalsContact O-N 3.14Å
524	L	92.9	Very high	92.9	Very high	21 Å²	21	67.9 Å²	67.9	11%	0.11	35%	0.35	C	S	.	.			trans	-77.4	96.9	178.8	-170.1	78.3	0	0	0	110.2	L509 C512 S513 I515 W528	L509-L524 HydrophobicContact CD1-CD1 4.27Å; L509-L524 HydrophobicContact CD1-CD2 3.92Å; L509-L524 HydrophobicContact CG-CD2 4.34Å; C512-L524 HydrophobicContact CB-CD2 4.43Å; S513-L524 WeakPolarHBondContact O-CB 3.19Å; S513-L524 PolarHBondContact O-N 2.92Å; I515-L524 HydrophobicContact CB-CD1 4Å; I515-L524 HydrophobicContact CD1-CD1 4.43Å; I515-L524 HydrophobicContact CG2-CD1 4.31Å; L524-W528 HydrophobicContact CD1-CB 3.94Å
525	D	91.6	Very high	92.7	Very high	64 Å²	64	66.7 Å²	66.7	34%	0.342	34%	0.343	S	S	.	.			trans	-90.2	176.7	177.3	75.9	-10.2	0	0	0	112.6	P523 N527 W528 R529	P523-D525 PolarHBondContact O-N 3.28Å; P523-D525 VanDerWaalsContact O-N 3.14Å; D525-N527 VanDerWaalsContact C-N 3.29Å; D525-N527 PolarHBondContact O-N 2.95Å; D525-N527 PolarHBondContact OD1-N 3.33Å; D525-N527 PolarHBondContact OD2-ND2 3.3Å; D525-W528 PolarHBondContact O-N 3.49Å; D525-W528 VanDerWaalsContact OD1-CG 3.27Å; D525-W528 PolarHBondContact OD1-N 3.32Å; D525-R529 WeakPolarHBondContact O-CG 3.12Å; D525-R529 PolarHBondContact O-N 3.38Å
526	E	90.6	Very high	92.6	Very high	129 Å²	129	69.7 Å²	69.7	60%	0.603	36%	0.355	S	S	*	.	H	α-helix	trans	-65.4	-30.9	178.6	-70.7	-61.5	146	0	0	112.6	W528 R529 D530	E526-W528 VanDerWaalsContact C-N 3.33Å; E526-W528 PolarHBondContact O-N 3.26Å; E526-R529 WeakPolarHBondContact O-CB 3.49Å; E526-R529 PolarHBondContact O-N 3.12Å; E526-D530 PolarHBondContact O-N 3.44Å
527	N	91.4	Very high	92.3	Very high	113 Å²	113	74 Å²	74	60%	0.604	38%	0.378	S	S	*	.	H	α-helix	trans	-63.8	-41.2	177	-58.6	-49.8	0	0	0	111	D525 R529 D530 A531	D525-N527 VanDerWaalsContact C-N 3.29Å; D525-N527 PolarHBondContact O-N 2.95Å; D525-N527 PolarHBondContact OD1-N 3.33Å; D525-N527 PolarHBondContact OD2-ND2 3.3Å; N527-R529 VanDerWaalsContact C-N 3.35Å; N527-D530 PolarHBondContact O-N 3.28Å; N527-A531 WeakPolarHBondContact O-CB 3.47Å; N527-A531 PolarHBondContact O-N 3.28Å
528	W	91.3	Very high	92.2	Very high	48 Å²	48	78.6 Å²	78.6	18%	0.182	40%	0.399	C	S	.	.	H	α-helix	trans	-67.8	-33.6	175	-66.9	134.2	0	0	0	112.8	N390 I515 M517 L524 D525 E526 A531 F532	N390-W528 HydrophobicContact CB-CZ3 3.82Å; I515-W528 HydrophobicContact CG2-CG 4.22Å; M517-W528 HydrophobicContact CE-CH2 3.84Å; M517-W528 HydrophobicContact CE-CZ2 4.37Å; M517-W528 HydrophobicContact CE-CZ3 4.33Å; M517-W528 HydrophobicContact CG-CZ2 4.44Å; M517-W528 HydrophobicContact SD-CH2 4.39Å; L524-W528 HydrophobicContact CD1-CB 3.94Å; D525-W528 PolarHBondContact O-N 3.49Å; D525-W528 VanDerWaalsContact OD1-CG 3.27Å; D525-W528 PolarHBondContact OD1-N 3.32Å; E526-W528 VanDerWaalsContact C-N 3.33Å; E526-W528 PolarHBondContact O-N 3.26Å; W528-A531 HydrophobicContact CE3-CB 4.42Å; W528-A531 PolarHBondContact O-N 3.44Å; W528-F532 VanDerWaalsContact O-CB 3.28Å; W528-F532 WeakPolarHBondContact O-CB 3.41Å; W528-F532 PolarHBondContact O-N 3.37Å
529	R	91.2	Very high	92.2	Very high	76 Å²	76	72.3 Å²	72.3	29%	0.287	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-42.9	173.7	-69.5	176.7	179.1	-92	-5	111.7	L509 D525 E526 N527 F532 Q533	L509-R529 HydrophobicContact CD2-CG 4.41Å; D525-R529 WeakPolarHBondContact O-CG 3.12Å; D525-R529 PolarHBondContact O-N 3.38Å; E526-R529 WeakPolarHBondContact O-CB 3.49Å; E526-R529 PolarHBondContact O-N 3.12Å; N527-R529 VanDerWaalsContact C-N 3.35Å; R529-F532 PolarHBondContact O-N 2.99Å; R529-Q533 WeakPolarHBondContact O-CB 2.9Å; R529-Q533 PolarHBondContact O-N 3.35Å
530	D	92.3	Very high	92.1	Very high	99 Å²	99	71.9 Å²	71.9	53%	0.529	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-44.1	176.1	-76.2	-18	0	0	0	111.7	E526 N527 F532 Q533 N534	E526-D530 PolarHBondContact O-N 3.44Å; N527-D530 PolarHBondContact O-N 3.28Å; D530-F532 PolarHBondContact O-N 3.28Å; D530-Q533 PolarHBondContact O-N 2.94Å; D530-N534 PolarHBondContact O-N 3.37Å; D530-N534 PolarHBondContact O-ND2 2.96Å
531	A	93.1	Very high	91.7	Very high	21 Å²	21	67.8 Å²	67.8	17%	0.174	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-43.9	176.9	0	0	0	0	0	112.2	W387 N527 W528 Q533 N534 A535	W387-A531 HydrophobicContact CZ2-CB 4.36Å; N527-A531 WeakPolarHBondContact O-CB 3.47Å; N527-A531 PolarHBondContact O-N 3.28Å; W528-A531 HydrophobicContact CE3-CB 4.42Å; W528-A531 PolarHBondContact O-N 3.44Å; A531-Q533 PolarHBondContact O-N 3.18Å; A531-N534 PolarHBondContact O-N 2.88Å; A531-A535 PolarHBondContact O-N 3.13Å; A531-A535 VanDerWaalsContact O-N 3.09Å
532	F	94.1	Very high	91.4	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.009	36%	0.358	C	S	.	.	H	α-helix	trans	-58	-46.9	172.4	168.7	-82.7	0	0	0	111.6	W387 P505 L509 W528 R529 D530 N534 A535 Y536 F579 L582	W387-F532 HydrophobicContact CH2-CB 3.98Å; W387-F532 HydrophobicContact CZ3-CB 4.23Å; W387-F532 AromaticContact CZ3-CD2 3.99Å; W387-F532 HydrophobicContact CZ3-CD2 3.99Å; P505-F532 HydrophobicContact CB-CE2 4.48Å; P505-F532 HydrophobicContact CB-CZ 3.73Å; L509-F532 HydrophobicContact CB-CE1 4.36Å; L509-F532 HydrophobicContact CB-CE2 4.35Å; L509-F532 HydrophobicContact CB-CZ 4.08Å; L509-F532 HydrophobicContact CD1-CD1 4.44Å; L509-F532 HydrophobicContact CD1-CD2 3.91Å; L509-F532 HydrophobicContact CD1-CE2 4.12Å; L509-F532 HydrophobicContact CD1-CG 4.06Å; L509-F532 HydrophobicContact CD2-CD1 3.57Å; L509-F532 HydrophobicContact CD2-CD2 4.49Å; L509-F532 HydrophobicContact CD2-CE1 3.74Å; L509-F532 HydrophobicContact CD2-CG 3.99Å; L509-F532 HydrophobicContact CD2-CZ 4.23Å; L509-F532 HydrophobicContact CG-CD1 4.49Å; L509-F532 HydrophobicContact CG-CE1 4.48Å; W528-F532 VanDerWaalsContact O-CB 3.28Å; W528-F532 WeakPolarHBondContact O-CB 3.41Å; W528-F532 PolarHBondContact O-N 3.37Å; R529-F532 PolarHBondContact O-N 2.99Å; D530-F532 PolarHBondContact O-N 3.28Å; F532-N534 VanDerWaalsContact C-N 3.33Å; F532-N534 PolarHBondContact O-N 3.09Å; F532-A535 PolarHBondContact O-N 2.89Å; F532-Y536 WeakPolarHBondContact O-CB 3.12Å; F532-Y536 PolarHBondContact O-N 3.03Å; F532-F579 HydrophobicContact CD2-CE1 4.19Å; F532-F579 HydrophobicContact CD2-CE2 4.39Å; F532-F579 AromaticContact CD2-CZ 3.82Å; F532-F579 HydrophobicContact CD2-CZ 3.82Å; F532-F579 HydrophobicContact CE2-CE1 4.36Å; F532-F579 AromaticContact CE2-CE2 3.87Å; F532-F579 HydrophobicContact CE2-CE2 3.87Å; F532-F579 AromaticContact CE2-CZ 3.54Å; F532-F579 HydrophobicContact CE2-CZ 3.54Å; F532-L582 HydrophobicContact CD2-CD1 4.2Å; F532-L582 HydrophobicContact CD2-CD2 4.37Å; F532-L582 HydrophobicContact CD2-CG 4.38Å; F532-L582 HydrophobicContact CE2-CD1 4.04Å; F532-L582 HydrophobicContact CE2-CD2 3.54Å; F532-L582 HydrophobicContact CE2-CG 4.03Å; F532-L582 HydrophobicContact CZ-CD2 4.11Å
533	Q	92.4	Very high	91.1	Very high	83 Å²	83	63.5 Å²	63.5	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-65	-39.9	-176	-171.6	65.7	15.1	0	0	111.1	R529 D530 A531 Y536 L537	R529-Q533 WeakPolarHBondContact O-CB 2.9Å; R529-Q533 PolarHBondContact O-N 3.35Å; D530-Q533 PolarHBondContact O-N 2.94Å; A531-Q533 PolarHBondContact O-N 3.18Å; Q533-Y536 PolarHBondContact O-N 3.46Å; Q533-L537 HydrophobicContact CG-CD1 4.33Å; Q533-L537 WeakPolarHBondContact O-CB 3.47Å; Q533-L537 VanDerWaalsContact O-CG 3.3Å; Q533-L537 WeakPolarHBondContact O-CG 3.4Å; Q533-L537 PolarHBondContact O-N 2.92Å
534	N	93.3	Very high	90.9	Very high	109 Å²	109	59.7 Å²	59.7	58%	0.583	32%	0.32	S	S	*	.	H	α-helix	trans	-61.6	-49.6	174.6	-70.6	-31.4	0	0	0	111.5	D530 A531 F532 Y536 L537 E538	D530-N534 PolarHBondContact O-N 3.37Å; D530-N534 PolarHBondContact O-ND2 2.96Å; A531-N534 PolarHBondContact O-N 2.88Å; F532-N534 VanDerWaalsContact C-N 3.33Å; F532-N534 PolarHBondContact O-N 3.09Å; N534-Y536 VanDerWaalsContact C-N 3.32Å; N534-Y536 PolarHBondContact O-N 3.16Å; N534-L537 PolarHBondContact O-N 3.05Å; N534-E538 WeakPolarHBondContact O-CB 3.32Å; N534-E538 PolarHBondContact O-N 3.17Å
535	A	93.8	Very high	90.7	Very high	5 Å²	5	63.8 Å²	63.8	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-39.7	177.7	0	0	0	0	0	112	W387 A531 F532 E538 L539	W387-A535 HydrophobicContact CD2-CB 4.08Å; W387-A535 HydrophobicContact CG-CB 3.83Å; A531-A535 PolarHBondContact O-N 3.13Å; A531-A535 VanDerWaalsContact O-N 3.09Å; F532-A535 PolarHBondContact O-N 2.89Å; A535-E538 PolarHBondContact O-N 3.48Å; A535-L539 WeakPolarHBondContact O-CB 3.25Å; A535-L539 VanDerWaalsContact O-CG 3.24Å; A535-L539 WeakPolarHBondContact O-CG 3.16Å; A535-L539 PolarHBondContact O-N 3.03Å
536	Y	92.8	Very high	90.9	Very high	69 Å²	69	61.3 Å²	61.3	27%	0.271	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-44.6	177.5	173.8	-132.1	0	0	0	112.4	P505 F532 Q533 N534 G540 V546	P505-Y536 HydrophobicContact CB-CD2 4.12Å; P505-Y536 HydrophobicContact CB-CE2 4.15Å; P505-Y536 HydrophobicContact CG-CD2 4.06Å; P505-Y536 HydrophobicContact CG-CE2 3.82Å; F532-Y536 WeakPolarHBondContact O-CB 3.12Å; F532-Y536 PolarHBondContact O-N 3.03Å; Q533-Y536 PolarHBondContact O-N 3.46Å; N534-Y536 VanDerWaalsContact C-N 3.32Å; N534-Y536 PolarHBondContact O-N 3.16Å; Y536-G540 PolarHBondContact O-N 3.2Å; Y536-V546 HydrophobicContact CD2-CB 4.05Å; Y536-V546 HydrophobicContact CD2-CG1 4.18Å; Y536-V546 HydrophobicContact CD2-CG2 4.15Å; Y536-V546 HydrophobicContact CE2-CB 4.11Å; Y536-V546 HydrophobicContact CE2-CG2 4.32Å
537	L	89.5	Confident	91.1	Very high	104 Å²	104	56.2 Å²	56.2	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-67.4	-37	177.1	-69.2	175.9	0	0	0	112.1	Q533 N534 G541	Q533-L537 HydrophobicContact CG-CD1 4.33Å; Q533-L537 WeakPolarHBondContact O-CB 3.47Å; Q533-L537 VanDerWaalsContact O-CG 3.3Å; Q533-L537 WeakPolarHBondContact O-CG 3.4Å; Q533-L537 PolarHBondContact O-N 2.92Å; N534-L537 PolarHBondContact O-N 3.05Å; L537-G541 PolarHBondContact O-N 3.41Å
538	E	91.4	Very high	91.4	Very high	116 Å²	116	50.8 Å²	50.8	54%	0.542	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-52.3	176.3	-174.9	173.4	179.4	0	0	111.5	I392 N534 A535 G540 G541 L542	I392-E538 HydrophobicContact CD1-CG 4.25Å; I392-E538 WeakPolarHBondContact CD1-OE2 3.37Å; N534-E538 WeakPolarHBondContact O-CB 3.32Å; N534-E538 PolarHBondContact O-N 3.17Å; A535-E538 PolarHBondContact O-N 3.48Å; E538-G540 VanDerWaalsContact C-N 3.33Å; E538-G540 PolarHBondContact O-N 2.86Å; E538-G541 WeakPolarHBondContact O-CA 3.29Å; E538-G541 PolarHBondContact O-N 3.07Å; E538-G541 VanDerWaalsContact O-N 3.1Å; E538-L542 PolarHBondContact O-N 3.26Å; E538-L542 VanDerWaalsContact O-N 3.09Å
539	L	92.4	Very high	91.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-38.6	177.8	-64.6	177.2	0	0	0	112.1	H385 I392 A535 G541 L542 E544 V546	H385-L539 HydrophobicContact CB-CD2 3.53Å; I392-L539 HydrophobicContact CD1-CD2 4.41Å; I392-L539 HydrophobicContact CG2-CD2 4.24Å; A535-L539 WeakPolarHBondContact O-CB 3.25Å; A535-L539 VanDerWaalsContact O-CG 3.24Å; A535-L539 WeakPolarHBondContact O-CG 3.16Å; A535-L539 PolarHBondContact O-N 3.03Å; L539-G541 VanDerWaalsContact C-N 3.34Å; L539-L542 HydrophobicContact CD2-CD1 4.47Å; L539-L542 PolarHBondContact O-N 3.02Å; L539-E544 WeakPolarHBondContact O-CB 3.38Å; L539-E544 PolarHBondContact O-N 3.45Å; L539-V546 HydrophobicContact CB-CG2 3.62Å; L539-V546 HydrophobicContact CD1-CG1 4.29Å; L539-V546 HydrophobicContact CD1-CG2 4.47Å
540	G	86.1	Confident	92	Very high	30 Å²	30	44.9 Å²	44.9	31%	0.309	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-36.4	173	0	0	0	0	0	112.9	Y536 E538 L542 G543	Y536-G540 PolarHBondContact O-N 3.2Å; E538-G540 VanDerWaalsContact C-N 3.33Å; E538-G540 PolarHBondContact O-N 2.86Å; G540-L542 VanDerWaalsContact C-N 3.27Å; G540-L542 PolarHBondContact O-N 3.42Å; G540-G543 WeakPolarHBondContact O-CA 3.39Å; G540-G543 PolarHBondContact O-N 2.65Å
541	G	84.3	Confident	92.2	Very high	57 Å²	57	40.6 Å²	40.6	59%	0.588	22%	0.223	S	C	*	.	H	α-helix	trans	-66.4	-26.6	175.6	0	0	0	0	0	113.6	L537 E538 L539 G543	L537-G541 PolarHBondContact O-N 3.41Å; E538-G541 WeakPolarHBondContact O-CA 3.29Å; E538-G541 PolarHBondContact O-N 3.07Å; E538-G541 VanDerWaalsContact O-N 3.1Å; L539-G541 VanDerWaalsContact C-N 3.34Å; G541-G543 PolarHBondContact O-N 3.47Å
542	L	87.4	Confident	92.3	Very high	74 Å²	74	41.3 Å²	41.3	39%	0.387	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	3.1	169.3	-65.3	172.9	0	0	0	113.1	E538 L539 G540 E544 A620	E538-L542 PolarHBondContact O-N 3.26Å; E538-L542 VanDerWaalsContact O-N 3.09Å; L539-L542 HydrophobicContact CD2-CD1 4.47Å; L539-L542 PolarHBondContact O-N 3.02Å; G540-L542 VanDerWaalsContact C-N 3.27Å; G540-L542 PolarHBondContact O-N 3.42Å; L542-E544 HydrophobicContact CB-CG 3.84Å; L542-E544 PolarHBondContact O-N 2.92Å; L542-A620 WeakPolarHBondContact O-CB 3.39Å
543	G	85.6	Confident	92.2	Very high	12 Å²	12	45.8 Å²	45.8	12%	0.124	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	19	179.9	0	0	0	0	0	113.4	G540 G541 T617	G540-G543 WeakPolarHBondContact O-CA 3.39Å; G540-G543 PolarHBondContact O-N 2.65Å; G541-G543 PolarHBondContact O-N 3.47Å; G543-T617 PolarHBondContact O-OG1 3.38Å
544	E	91.3	Very high	92.1	Very high	21 Å²	21	42.1 Å²	42.1	10%	0.098	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-92.1	148	-178.5	-50.1	-173.9	156.7	0	0	111.3	A384 H385 L539 L542 S584 I586	A384-E544 VanDerWaalsContact CB-OE1 3.29Å; A384-E544 WeakPolarHBondContact CB-OE1 3.37Å; H385-E544 IonicContact CE1-OE1 3.21Å; H385-E544 PolarHBondContact CE1-OE1 2.91Å; H385-E544 IonicContact CE1-OE2 3.87Å; H385-E544 IonicContact CG-OE2 2.6Å; H385-E544 IonicContact ND1-OE1 2.78Å; H385-E544 PolarHBondContact ND1-OE1 3.47Å; H385-E544 IonicContact ND1-OE2 2.67Å; H385-E544 PolarHBondContact ND1-OE2 3.39Å; L539-E544 WeakPolarHBondContact O-CB 3.38Å; L539-E544 PolarHBondContact O-N 3.45Å; L542-E544 HydrophobicContact CB-CG 3.84Å; L542-E544 PolarHBondContact O-N 2.92Å; E544-S584 WeakPolarHBondContact OE2-CB 3.49Å; E544-S584 PolarHBondContact OE2-OG 3.04Å; E544-I586 HydrophobicContact CG-CB 4.17Å; E544-I586 HydrophobicContact CG-CD1 4.11Å
545	R	90.1	Very high	91.8	Very high	107 Å²	107	39.2 Å²	39.2	40%	0.404	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.2	173	179.5	177.8	-178.3	153.7	3.3	109.5	E218 S584 M585	E218-R545 IonicContact OE1-CZ 3.28Å; E218-R545 IonicContact OE1-NH1 2.65Å; E218-R545 PolarHBondContact OE1-NH1 3.07Å; R545-S584 CarbonylContact O-C 3.53Å; R545-S584 WeakPolarHBondContact O-CA 3.45Å; R545-M585 HydrophobicContact CB-CG 4.12Å; R545-M585 PolarHBondContact N-O 3.14Å; R545-M585 PolarHBondContact O-N 3.48Å
546	V	94.4	Very high	91.3	Very high	12 Å²	12	41.5 Å²	41.5	7%	0.073	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.2	-176.8	-165.7	0	0	0	0	111.3	P505 Y536 L539 L582	P505-V546 WeakPolarHBondContact CD-O 3.22Å; P505-V546 HydrophobicContact CG-CB 3.97Å; P505-V546 HydrophobicContact CG-CG1 3.93Å; P505-V546 WeakPolarHBondContact CG-O 3.48Å; Y536-V546 HydrophobicContact CD2-CB 4.05Å; Y536-V546 HydrophobicContact CD2-CG1 4.18Å; Y536-V546 HydrophobicContact CD2-CG2 4.15Å; Y536-V546 HydrophobicContact CE2-CB 4.11Å; Y536-V546 HydrophobicContact CE2-CG2 4.32Å; L539-V546 HydrophobicContact CB-CG2 3.62Å; L539-V546 HydrophobicContact CD1-CG1 4.29Å; L539-V546 HydrophobicContact CD1-CG2 4.47Å; V546-L582 HydrophobicContact CG1-CB 3.88Å; V546-L582 HydrophobicContact CG1-CD1 4.08Å; V546-L582 HydrophobicContact CG1-CD2 3.95Å; V546-L582 HydrophobicContact CG1-CG 4.2Å
547	L	96.3	Very high	90.9	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.115	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.4	172.6	-66.9	177.4	0	0	0	110.5	L451 F549 L582 I583 M585	L451-L547 HydrophobicContact CD1-CD1 4.28Å; L547-F549 HydrophobicContact CB-CE2 3.62Å; L547-F549 HydrophobicContact CB-CZ 4.03Å; L547-F549 HydrophobicContact CD1-CZ 4.4Å; L547-F549 WeakPolarHBondContact O-CD2 3.43Å; L547-F549 WeakPolarHBondContact O-CE2 3.4Å; L547-L582 WeakPolarHBondContact O-CA 3.34Å; L547-I583 PolarHBondContact N-O 3.35Å; L547-I583 PolarHBondContact O-N 3.4Å; L547-M585 HydrophobicContact CD1-CE 3.8Å; L547-M585 HydrophobicContact CG-CE 4.5Å
548	G	97.1	Very high	90.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	144.8	172.8	0	0	0	0	0	112.3	K502 G503	K502-G548 VanDerWaalsContact CA-O 3.23Å; K502-G548 WeakPolarHBondContact CA-O 3.24Å; G503-G548 PolarHBondContact N-O 3.24Å; G503-G548 VanDerWaalsContact N-O 3.09Å; G503-G548 PolarHBondContact O-N 2.93Å
549	F	97.9	Very high	90.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.9	-178.4	-65.5	-97.1	0	0	0	110.8	L416 V419 A420 L451 K502 L547 L580 G581 I583	L416-F549 HydrophobicContact CD1-CB 3.48Å; L416-F549 VanDerWaalsContact CD1-CB 3.48Å; L416-F549 HydrophobicContact CD1-CD2 4.13Å; L416-F549 HydrophobicContact CD1-CG 3.81Å; V419-F549 HydrophobicContact CG1-CB 4.17Å; V419-F549 HydrophobicContact CG1-CD1 3.78Å; V419-F549 HydrophobicContact CG1-CG 4.47Å; A420-F549 HydrophobicContact CB-CE1 4.09Å; L451-F549 HydrophobicContact CD1-CE1 4.22Å; L451-F549 HydrophobicContact CD1-CZ 3.85Å; L451-F549 HydrophobicContact CD2-CZ 3.9Å; K502-F549 HydrophobicContact CB-CD1 3.69Å; K502-F549 HydrophobicContact CB-CE1 3.64Å; K502-F549 HydrophobicContact CB-CG 4.39Å; K502-F549 HydrophobicContact CB-CZ 4.29Å; K502-F549 HydrophobicContact CD-CE1 3.96Å; K502-F549 HydrophobicContact CD-CZ 4.48Å; K502-F549 HydrophobicContact CG-CE1 4.42Å; L547-F549 HydrophobicContact CB-CE2 3.62Å; L547-F549 HydrophobicContact CB-CZ 4.03Å; L547-F549 HydrophobicContact CD1-CZ 4.4Å; L547-F549 WeakPolarHBondContact O-CD2 3.43Å; L547-F549 WeakPolarHBondContact O-CE2 3.4Å; F549-L580 PolarHBondContact O-N 3.36Å; F549-G581 PolarHBondContact N-O 2.84Å; F549-G581 PolarHBondContact O-N 3.43Å; F549-I583 HydrophobicContact CD2-CB 4.25Å; F549-I583 HydrophobicContact CD2-CD1 4.06Å; F549-I583 HydrophobicContact CD2-CG1 3.79Å; F549-I583 HydrophobicContact CE1-CD1 4.4Å; F549-I583 HydrophobicContact CE2-CB 3.57Å; F549-I583 HydrophobicContact CE2-CD1 3.71Å; F549-I583 HydrophobicContact CE2-CG1 3.53Å; F549-I583 HydrophobicContact CZ-CB 4.25Å; F549-I583 HydrophobicContact CZ-CD1 3.88Å; F549-I583 HydrophobicContact CZ-CG1 4.2Å
550	C	97.6	Very high	90.2	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	162.8	176.2	66	0	0	0	0	111.3	M501 I508 C512 L577 C578	M501-C550 PolarHBondContact N-O 3.38Å; M501-C550 PolarHBondContact O-N 3.21Å; I508-C550 HydrophobicContact CG2-CB 3.93Å; C512-C550 VanDerWaalsContact SG-CB 3.55Å; C550-L577 HydrophobicContact CB-CB 4.32Å; C550-L577 VanDerWaalsContact SG-CD1 3.53Å; C550-C578 CarbonylContact C-O 3.58Å; C550-C578 VanDerWaalsContact CA-O 3.24Å; C550-C578 WeakPolarHBondContact CA-O 3.33Å; C550-C578 WeakPolarHBondContact CB-O 3.15Å
551	H	96.3	Very high	90	Very high	9 Å²	9	49.3 Å²	49.3	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	169.4	174.9	74.1	171.3	0	0	0	112	V419 L498 L499 V500 M516 C578 L580	V419-H551 HydrophobicContact CG2-CB 3.86Å; L498-H551 HydrophobicContact CD1-CB 4.07Å; L499-H551 CarbonylContact O-C 3.59Å; L499-H551 WeakPolarHBondContact O-CA 3.5Å; L499-H551 WeakPolarHBondContact O-CB 3.33Å; V500-H551 HydrophobicContact CG1-CB 4.38Å; M516-H551 VanDerWaalsContact CE-NE2 3.32Å; M516-H551 WeakPolarHBondContact CE-NE2 3.3Å; H551-C578 PolarHBondContact N-O 2.91Å; H551-C578 PolarHBondContact O-N 3.35Å; H551-L580 HydrophobicContact CB-CD1 4.16Å
552	L	95	Very high	89.8	Confident	35 Å²	35	49.9 Å²	49.9	18%	0.183	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	130	169.4	-178.3	68.7	0	0	0	109.8	L499 L554 P573 L577	L499-L552 HydrophobicContact CB-CB 4.46Å; L499-L552 PolarHBondContact N-O 2.92Å; L499-L552 PolarHBondContact O-N 2.99Å; L552-L554 HydrophobicContact CD2-CD2 4.1Å; L552-L554 PolarHBondContact O-N 3.12Å; L552-P573 HydrophobicContact CD2-CB 4.21Å; L552-P573 HydrophobicContact CD2-CG 3.65Å; L552-L577 HydrophobicContact CB-CD2 3.57Å; L552-L577 HydrophobicContact CD2-CD2 3.89Å; L552-L577 HydrophobicContact CG-CD2 4.31Å
553	N	91.2	Very high	89.8	Confident	97 Å²	97	49.4 Å²	49.4	52%	0.519	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	112.2	169.3	-69.8	-48.8	0	0	0	109.1	L498	L498-N553 WeakPolarHBondContact CD1-OD1 3.39Å
554	L	90.4	Very high	89.8	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.2	178.9	-64.6	177.7	0	0	0	110.2	I487 H497 L499 L552 P556 F559 F565 P573	I487-L554 HydrophobicContact CG2-CD1 4.24Å; H497-L554 HydrophobicContact CB-CB 4.17Å; H497-L554 HydrophobicContact CB-CD1 3.97Å; H497-L554 WeakPolarHBondContact O-CB 3.33Å; H497-L554 PolarHBondContact O-N 2.96Å; L499-L554 HydrophobicContact CB-CD1 4.39Å; L499-L554 HydrophobicContact CB-CG 4.3Å; L499-L554 HydrophobicContact CD1-CD2 4.48Å; L552-L554 HydrophobicContact CD2-CD2 4.1Å; L552-L554 PolarHBondContact O-N 3.12Å; L554-P556 WeakPolarHBondContact O-CD 3.17Å; L554-F559 HydrophobicContact CB-CB 4.33Å; L554-F559 HydrophobicContact CB-CD2 3.84Å; L554-F559 HydrophobicContact CB-CG 4.28Å; L554-F559 HydrophobicContact CD1-CD2 4.42Å; L554-F559 HydrophobicContact CD1-CG 4.34Å; L554-F559 HydrophobicContact CD2-CD2 4.22Å; L554-F559 HydrophobicContact CD2-CE2 4.12Å; L554-F559 HydrophobicContact CG-CD2 4.39Å; L554-F565 HydrophobicContact CD1-CE1 3.84Å; L554-F565 HydrophobicContact CD1-CZ 4.05Å; L554-P573 HydrophobicContact CD2-CG 3.58Å
555	S	86.7	Confident	89.7	Confident	47 Å²	47	54.8 Å²	54.8	33%	0.329	30%	0.303	S	S	.	.			trans	-62.4	124.5	-179.2	-179.3	0	0	0	0	111.3	S557 Q558 F559	S555-S557 PolarHBondContact O-N 3.15Å; S555-S557 VanDerWaalsContact O-N 3.08Å; S555-S557 PolarHBondContact OG-N 3.42Å; S555-S557 PolarHBondContact OG-OG 3.23Å; S555-Q558 PolarHBondContact O-N 3.28Å; S555-F559 PolarHBondContact O-N 2.96Å
556	P	83	Confident	89.6	Confident	54 Å²	54	52.7 Å²	52.7	35%	0.351	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.2	175.7	-28.2	36.2	0	0	0	114.1	S495 L554	S495-P556 VanDerWaalsContact O-CB 3.32Å; S495-P556 WeakPolarHBondContact O-CB 3.34Å; L554-P556 WeakPolarHBondContact O-CD 3.17Å
557	S	85	Confident	89.1	Confident	104 Å²	104	54 Å²	54	73%	0.727	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-27.9	179.1	61.2	0	0	0	0	113.5	S555	S555-S557 PolarHBondContact O-N 3.15Å; S555-S557 VanDerWaalsContact O-N 3.08Å; S555-S557 PolarHBondContact OG-N 3.42Å; S555-S557 PolarHBondContact OG-OG 3.23Å
558	Q	85.8	Confident	88.4	Confident	131 Å²	131	60.1 Å²	60.1	61%	0.612	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-34.3	179.6	-69.4	178.2	-10.3	0	0	111.6	S555 P560	S555-Q558 PolarHBondContact O-N 3.28Å; Q558-P560 WeakPolarHBondContact O-CD 3.36Å
559	F	88.6	Confident	87.5	Confident	17 Å²	17	69 Å²	69	8%	0.075	38%	0.376	C	S	.	.	S	Bend	trans	-125.4	72.5	-175.4	-56.2	-80.3	0	0	0	110.5	H497 L554 S555 F563 F565 N571 F572	H497-F559 PolarHBondContact CE1-O 3.43Å; H497-F559 PolarHBondContact ND1-O 3.22Å; L554-F559 HydrophobicContact CB-CB 4.33Å; L554-F559 HydrophobicContact CB-CD2 3.84Å; L554-F559 HydrophobicContact CB-CG 4.28Å; L554-F559 HydrophobicContact CD1-CD2 4.42Å; L554-F559 HydrophobicContact CD1-CG 4.34Å; L554-F559 HydrophobicContact CD2-CD2 4.22Å; L554-F559 HydrophobicContact CD2-CE2 4.12Å; L554-F559 HydrophobicContact CG-CD2 4.39Å; S555-F559 PolarHBondContact O-N 2.96Å; F559-F563 AromaticContact CD1-CD1 3.94Å; F559-F563 HydrophobicContact CD1-CD1 3.94Å; F559-F563 HydrophobicContact CD1-CD2 4.49Å; F559-F563 AromaticContact CD1-CE1 3.71Å; F559-F563 HydrophobicContact CD1-CE1 3.71Å; F559-F563 HydrophobicContact CD1-CE2 4.29Å; F559-F563 HydrophobicContact CD1-CG 4.33Å; F559-F563 AromaticContact CD1-CZ 3.9Å; F559-F563 HydrophobicContact CD1-CZ 3.9Å; F559-F563 HydrophobicContact CE1-CE1 4.04Å; F559-F563 HydrophobicContact CE1-CZ 4.02Å; F559-F565 HydrophobicContact CB-CZ 4.3Å; F559-F565 AromaticContact CD1-CE1 3.8Å; F559-F565 HydrophobicContact CD1-CE1 3.8Å; F559-F565 HydrophobicContact CD1-CZ 4.34Å; F559-F565 HydrophobicContact CE1-CE1 4.42Å; F559-F565 HydrophobicContact CG-CE1 4.41Å; F559-N571 WeakPolarHBondContact CE1-O 3.5Å; F559-F572 HydrophobicContact CE1-CB 4.17Å; F559-F572 HydrophobicContact CZ-CB 4.44Å
560	P	85.3	Confident	86.8	Confident	68 Å²	68	72.6 Å²	72.6	44%	0.442	40%	0.398	S	S	.	.			trans	-68.6	160.8	-179.2	30.6	-36.5	0	0	0	111.6	H497 Q558 G562 F563	H497-P560 PolarHBondContact CE1-O 2.72Å; Q558-P560 WeakPolarHBondContact O-CD 3.36Å; P560-G562 PolarHBondContact O-N 3.25Å; P560-F563 WeakPolarHBondContact O-CB 3.32Å; P560-F563 PolarHBondContact O-N 3.42Å
561	R	80.9	Confident	86.4	Confident	163 Å²	163	75.6 Å²	75.6	62%	0.615	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	131.2	178.9	-160.4	173	-173.9	175.1	2.8	111.4	E489	E489-R561 IonicContact OE1-NE 3.86Å; E489-R561 PolarHBondContact OE1-NE 2.96Å; E489-R561 IonicContact OE2-CZ 3.72Å; E489-R561 IonicContact OE2-NE 3.01Å; E489-R561 PolarHBondContact OE2-NE 3.1Å; E489-R561 IonicContact OE2-NH2 3.43Å; E489-R561 PolarHBondContact OE2-NH2 3.29Å
562	G	80.9	Confident	86.2	Confident	68 Å²	68	75.8 Å²	75.8	70%	0.701	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	4.5	-172.2	0	0	0	0	0	114.7	P560 T564	P560-G562 PolarHBondContact O-N 3.25Å; G562-T564 PolarHBondContact O-N 3.03Å
563	F	86.4	Confident	86.1	Confident	65 Å²	65	76.3 Å²	76.3	29%	0.285	42%	0.421	S	S	.	.			trans	-59.9	128.4	168.1	-177.6	-89.5	0	0	0	110.5	F559 P560 F565 N571	F559-F563 AromaticContact CD1-CD1 3.94Å; F559-F563 HydrophobicContact CD1-CD1 3.94Å; F559-F563 HydrophobicContact CD1-CD2 4.49Å; F559-F563 AromaticContact CD1-CE1 3.71Å; F559-F563 HydrophobicContact CD1-CE1 3.71Å; F559-F563 HydrophobicContact CD1-CE2 4.29Å; F559-F563 HydrophobicContact CD1-CG 4.33Å; F559-F563 AromaticContact CD1-CZ 3.9Å; F559-F563 HydrophobicContact CD1-CZ 3.9Å; F559-F563 HydrophobicContact CE1-CE1 4.04Å; F559-F563 HydrophobicContact CE1-CZ 4.02Å; P560-F563 WeakPolarHBondContact O-CB 3.32Å; P560-F563 PolarHBondContact O-N 3.42Å; F563-F565 AromaticContact CD1-CD1 3.72Å; F563-F565 HydrophobicContact CD1-CD1 3.72Å; F563-F565 HydrophobicContact CD1-CD2 4.15Å; F563-F565 AromaticContact CD1-CE1 3.63Å; F563-F565 HydrophobicContact CD1-CE1 3.63Å; F563-F565 HydrophobicContact CD1-CE2 4.05Å; F563-F565 HydrophobicContact CD1-CG 4Å; F563-F565 AromaticContact CD1-CZ 3.8Å; F563-F565 HydrophobicContact CD1-CZ 3.8Å; F563-F565 AromaticContact CE1-CD1 3.76Å; F563-F565 HydrophobicContact CE1-CD1 3.76Å; F563-F565 AromaticContact CE1-CE1 3.89Å; F563-F565 HydrophobicContact CE1-CE1 3.89Å; F563-F565 HydrophobicContact CE1-CG 4.31Å; F563-F565 WeakPolarHBondContact O-CD2 3.21Å; F563-F565 PolarHBondContact O-N 2.87Å; F563-N571 VanDerWaalsContact CE1-ND2 3.34Å; F563-N571 WeakPolarHBondContact CE1-ND2 3.39Å; F563-N571 WeakPolarHBondContact CZ-ND2 3.47Å
564	T	86.2	Confident	86.1	Confident	123 Å²	123	72.9 Å²	72.9	76%	0.755	40%	0.403	S	S	*	.			trans	-81.7	109.8	177.5	-8.6	0	0	0	0	109.8	G562 N571	G562-T564 PolarHBondContact O-N 3.03Å; T564-N571 PolarHBondContact O-ND2 3.46Å
565	F	89.1	Confident	86.1	Confident	22 Å²	22	78.4 Å²	78.4	10%	0.096	43%	0.429	C	S	.	.			trans	-79.9	122	173.1	-64.8	-79.8	0	0	0	109.8	V472 I487 H497 L554 F559 F563 F572	V472-F565 HydrophobicContact CB-CD2 4.45Å; V472-F565 HydrophobicContact CG2-CD2 3.82Å; V472-F565 HydrophobicContact CG2-CE2 3.82Å; I487-F565 HydrophobicContact CD1-CB 4.21Å; I487-F565 HydrophobicContact CD1-CD1 3.43Å; I487-F565 VanDerWaalsContact CD1-CD1 3.43Å; I487-F565 HydrophobicContact CD1-CD2 4.41Å; I487-F565 HydrophobicContact CD1-CE1 3.82Å; I487-F565 HydrophobicContact CD1-CG 3.76Å; I487-F565 HydrophobicContact CD1-CZ 4.46Å; I487-F565 HydrophobicContact CG2-CD2 4.29Å; I487-F565 HydrophobicContact CG2-CE1 4.26Å; I487-F565 HydrophobicContact CG2-CE2 3.92Å; I487-F565 HydrophobicContact CG2-CZ 3.89Å; H497-F565 HydrophobicContact CB-CZ 4.22Å; H497-F565 AromaticContact CD2-CE2 3.7Å; H497-F565 AromaticContact CD2-CZ 4Å; H497-F565 AromaticContact CG-CZ 3.84Å; H497-F565 AromaticContact NE2-CE2 3.79Å; L554-F565 HydrophobicContact CD1-CE1 3.84Å; L554-F565 HydrophobicContact CD1-CZ 4.05Å; F559-F565 HydrophobicContact CB-CZ 4.3Å; F559-F565 AromaticContact CD1-CE1 3.8Å; F559-F565 HydrophobicContact CD1-CE1 3.8Å; F559-F565 HydrophobicContact CD1-CZ 4.34Å; F559-F565 HydrophobicContact CE1-CE1 4.42Å; F559-F565 HydrophobicContact CG-CE1 4.41Å; F563-F565 AromaticContact CD1-CD1 3.72Å; F563-F565 HydrophobicContact CD1-CD1 3.72Å; F563-F565 HydrophobicContact CD1-CD2 4.15Å; F563-F565 AromaticContact CD1-CE1 3.63Å; F563-F565 HydrophobicContact CD1-CE1 3.63Å; F563-F565 HydrophobicContact CD1-CE2 4.05Å; F563-F565 HydrophobicContact CD1-CG 4Å; F563-F565 AromaticContact CD1-CZ 3.8Å; F563-F565 HydrophobicContact CD1-CZ 3.8Å; F563-F565 AromaticContact CE1-CD1 3.76Å; F563-F565 HydrophobicContact CE1-CD1 3.76Å; F563-F565 AromaticContact CE1-CE1 3.89Å; F563-F565 HydrophobicContact CE1-CE1 3.89Å; F563-F565 HydrophobicContact CE1-CG 4.31Å; F563-F565 WeakPolarHBondContact O-CD2 3.21Å; F563-F565 PolarHBondContact O-N 2.87Å; F565-F572 HydrophobicContact CB-CD1 4.29Å; F565-F572 HydrophobicContact CB-CE1 4.28Å; F565-F572 HydrophobicContact CD1-CB 4.19Å; F565-F572 AromaticContact CD1-CD1 3.69Å; F565-F572 HydrophobicContact CD1-CD1 3.69Å; F565-F572 HydrophobicContact CD1-CE1 4.43Å; F565-F572 HydrophobicContact CD1-CG 4.22Å; F565-F572 HydrophobicContact CE1-CB 4.32Å; F565-F572 HydrophobicContact CG-CD1 4.47Å
566	D	87	Confident	86.4	Confident	64 Å²	64	83.3 Å²	83.3	34%	0.342	45%	0.447	S	S	.	.			trans	-95.5	115.2	173.9	-171.3	-25	0	0	0	108.5	D568 Y569 T570 N571 F572	D566-D568 PolarHBondContact OD1-N 3.38Å; D566-Y569 CarbonylContact O-C 3.53Å; D566-Y569 PolarHBondContact OD1-N 2.91Å; D566-T570 WeakPolarHBondContact O-CA 3.42Å; D566-N571 PolarHBondContact N-OD1 3.36Å; D566-F572 WeakPolarHBondContact O-CE1 3.38Å
567	C	85.1	Confident	87	Confident	38 Å²	38	80.8 Å²	80.8	26%	0.257	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-15.6	-177.5	-61.7	0	0	0	0	113.2	I475	I475-C567 HydrophobicContact CG1-CB 4.03Å
568	D	80.9	Confident	87.6	Confident	151 Å²	151	75.8 Å²	75.8	81%	0.807	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-41.3	176.7	-66.8	-37.7	0	0	0	110.3	D566	D566-D568 PolarHBondContact OD1-N 3.38Å
569	Y	79.1	Confident	88.2	Confident	188 Å²	188	69.6 Å²	69.6	74%	0.737	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	83.2	172.3	-61.6	-81.3	0	0	0	109.4	D566 N571	D566-Y569 CarbonylContact O-C 3.53Å; D566-Y569 PolarHBondContact OD1-N 2.91Å; Y569-N571 PolarHBondContact O-N 3.5Å
570	T	83.4	Confident	88.6	Confident	75 Å²	75	69 Å²	69	46%	0.46	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	104.2	-173.2	47.5	0	0	0	0	112.8	I475 D566 F572 T574	I475-T570 HydrophobicContact CD1-CG2 4.04Å; D566-T570 WeakPolarHBondContact O-CA 3.42Å; T570-F572 HydrophobicContact CG2-CE2 4.48Å; T570-F572 HydrophobicContact CG2-CZ 4.28Å; T570-T574 HydrophobicContact CG2-CG2 4.38Å
571	N	89	Confident	89.1	Confident	63 Å²	63	65.7 Å²	65.7	34%	0.337	34%	0.343	S	S	.	.			trans	-100.4	18.5	-179.9	69.9	-17.1	0	0	0	113.4	F559 F563 T564 D566 Y569	F559-N571 WeakPolarHBondContact CE1-O 3.5Å; F563-N571 VanDerWaalsContact CE1-ND2 3.34Å; F563-N571 WeakPolarHBondContact CE1-ND2 3.39Å; F563-N571 WeakPolarHBondContact CZ-ND2 3.47Å; T564-N571 PolarHBondContact O-ND2 3.46Å; D566-N571 PolarHBondContact N-OD1 3.36Å; Y569-N571 PolarHBondContact O-N 3.5Å
572	F	91.3	Very high	89.9	Confident	13 Å²	13	58 Å²	58	6%	0.057	31%	0.313	C	S	.	.	S	Bend	trans	-138.1	158	-178.8	49.4	-93.7	0	0	0	110	I475 L485 I487 L499 F559 F565 D566 T570 T574	I475-F572 HydrophobicContact CD1-CE2 4.29Å; I475-F572 HydrophobicContact CD1-CZ 3.94Å; L485-F572 HydrophobicContact CD1-CE2 4.07Å; L485-F572 HydrophobicContact CD2-CE2 3.67Å; L485-F572 HydrophobicContact CD2-CZ 3.99Å; I487-F572 HydrophobicContact CD1-CB 4.46Å; I487-F572 HydrophobicContact CD1-CD1 3.79Å; I487-F572 HydrophobicContact CD1-CD2 3.93Å; I487-F572 HydrophobicContact CD1-CE1 3.91Å; I487-F572 HydrophobicContact CD1-CE2 4.05Å; I487-F572 HydrophobicContact CD1-CG 3.79Å; I487-F572 HydrophobicContact CD1-CZ 4.03Å; L499-F572 HydrophobicContact CD1-CD2 3.85Å; L499-F572 HydrophobicContact CD1-CE2 4.46Å; F559-F572 HydrophobicContact CE1-CB 4.17Å; F559-F572 HydrophobicContact CZ-CB 4.44Å; F565-F572 HydrophobicContact CB-CD1 4.29Å; F565-F572 HydrophobicContact CB-CE1 4.28Å; F565-F572 HydrophobicContact CD1-CB 4.19Å; F565-F572 AromaticContact CD1-CD1 3.69Å; F565-F572 HydrophobicContact CD1-CD1 3.69Å; F565-F572 HydrophobicContact CD1-CE1 4.43Å; F565-F572 HydrophobicContact CD1-CG 4.22Å; F565-F572 HydrophobicContact CE1-CB 4.32Å; F565-F572 HydrophobicContact CG-CD1 4.47Å; D566-F572 WeakPolarHBondContact O-CE1 3.38Å; T570-F572 HydrophobicContact CG2-CE2 4.48Å; T570-F572 HydrophobicContact CG2-CZ 4.28Å; F572-T574 HydrophobicContact CD2-CG2 4.17Å; F572-T574 HydrophobicContact CE2-CG2 4.01Å
573	P	92.2	Very high	90.7	Very high	46 Å²	46	54.8 Å²	54.8	30%	0.299	28%	0.28	S	S	.	.			trans	-67.4	136.4	-178.7	27.1	-35.4	0	0	0	112.3	L499 L552 L554	L499-P573 WeakPolarHBondContact CD1-O 3.41Å; L552-P573 HydrophobicContact CD2-CB 4.21Å; L552-P573 HydrophobicContact CD2-CG 3.65Å; L554-P573 HydrophobicContact CD2-CG 3.58Å
574	T	91.1	Very high	91.1	Very high	25 Å²	25	51.7 Å²	51.7	15%	0.153	27%	0.267	C	S	.	.			trans	-121.7	12.1	174.2	58.7	0	0	0	0	112.8	L485 R511 T570 F572	L485-T574 HydrophobicContact CD1-CG2 4.44Å; R511-T574 PolarHBondContact NH1-O 2.9Å; R511-T574 VanDerWaalsContact NH1-O 3.08Å; T570-T574 HydrophobicContact CG2-CG2 4.38Å; F572-T574 HydrophobicContact CD2-CG2 4.17Å; F572-T574 HydrophobicContact CE2-CG2 4.01Å
575	E	91.9	Very high	91.5	Very high	122 Å²	122	45.9 Å²	45.9	57%	0.57	23%	0.231	S	C	*	.	S	Bend	trans	-138.8	166	180	-64.3	-176.8	-179.1	0	0	108	R511 L577	R511-E575 IonicContact NH1-OE1 3.35Å; R511-E575 CarbonylContact O-C 3.29Å; E575-L577 VanDerWaalsContact C-N 3.3Å; E575-L577 PolarHBondContact O-N 3.43Å
576	Q	92.9	Very high	91.7	Very high	150 Å²	150	45.5 Å²	45.5	70%	0.701	23%	0.23	S	C	*	.	S	Bend	trans	60.2	38.5	-174.5	-55.8	180	-16.8	0	0	113.2	R511 S513	R511-Q576 PolarHBondContact O-N 3.39Å; S513-Q576 WeakPolarHBondContact OG-CA 3.43Å; S513-Q576 WeakPolarHBondContact OG-CB 3.46Å; S513-Q576 PolarHBondContact OG-O 2.85Å
577	L	96	Very high	91.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	165.9	177.4	-55.2	171.5	0	0	0	110.9	L499 M501 R511 C512 S513 T514 C550 L552 E575	L499-L577 HydrophobicContact CD2-CD2 3.78Å; M501-L577 HydrophobicContact CE-CD1 3.68Å; M501-L577 HydrophobicContact SD-CD1 3.9Å; R511-L577 HydrophobicContact CB-CD1 4.28Å; R511-L577 PolarHBondContact O-N 3.26Å; C512-L577 CarbonylContact C-O 3.56Å; C512-L577 WeakPolarHBondContact CA-O 3.28Å; C512-L577 WeakPolarHBondContact CB-O 3.41Å; S513-L577 PolarHBondContact N-O 3.13Å; T514-L577 PolarHBondContact N-O 3.33Å; C550-L577 HydrophobicContact CB-CB 4.32Å; C550-L577 VanDerWaalsContact SG-CD1 3.53Å; L552-L577 HydrophobicContact CB-CD2 3.57Å; L552-L577 HydrophobicContact CD2-CD2 3.89Å; L552-L577 HydrophobicContact CG-CD2 4.31Å; E575-L577 VanDerWaalsContact C-N 3.3Å; E575-L577 PolarHBondContact O-N 3.43Å
578	C	96.7	Very high	92.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.9	171.4	177.7	0	0	0	0	110.2	T514 C550 H551	T514-C578 CarbonylContact O-C 3.54Å; T514-C578 WeakPolarHBondContact O-CA 3.25Å; T514-C578 WeakPolarHBondContact OG1-CA 3.5Å; T514-C578 VanDerWaalsContact OG1-CB 3.27Å; T514-C578 WeakPolarHBondContact OG1-CB 3.28Å; C550-C578 CarbonylContact C-O 3.58Å; C550-C578 VanDerWaalsContact CA-O 3.24Å; C550-C578 WeakPolarHBondContact CA-O 3.33Å; C550-C578 WeakPolarHBondContact CB-O 3.15Å; H551-C578 PolarHBondContact N-O 2.91Å; H551-C578 PolarHBondContact O-N 3.35Å
579	F	97.8	Very high	92.8	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133	177.4	-169.7	-90.1	0	0	0	110.7	W387 I508 L509 C512 T514 I515 M516 F532 G581 L582	W387-F579 HydrophobicContact CE3-CE1 4.1Å; W387-F579 HydrophobicContact CZ3-CD1 4.37Å; W387-F579 AromaticContact CZ3-CE1 3.67Å; W387-F579 HydrophobicContact CZ3-CE1 3.67Å; I508-F579 HydrophobicContact CG2-CD2 3.96Å; I508-F579 HydrophobicContact CG2-CE2 3.92Å; L509-F579 HydrophobicContact CD1-CD2 4.25Å; L509-F579 HydrophobicContact CD1-CE2 4.45Å; C512-F579 HydrophobicContact CB-CB 3.86Å; T514-F579 PolarHBondContact O-N 2.94Å; I515-F579 CarbonylContact C-O 3.6Å; I515-F579 WeakPolarHBondContact CA-O 3.49Å; I515-F579 HydrophobicContact CB-CB 4.46Å; I515-F579 HydrophobicContact CD1-CD1 4.11Å; I515-F579 HydrophobicContact CG1-CB 4.41Å; I515-F579 HydrophobicContact CG1-CD1 4.2Å; M516-F579 PolarHBondContact N-O 2.92Å; F532-F579 HydrophobicContact CD2-CE1 4.19Å; F532-F579 HydrophobicContact CD2-CE2 4.39Å; F532-F579 AromaticContact CD2-CZ 3.82Å; F532-F579 HydrophobicContact CD2-CZ 3.82Å; F532-F579 HydrophobicContact CE2-CE1 4.36Å; F532-F579 AromaticContact CE2-CE2 3.87Å; F532-F579 HydrophobicContact CE2-CE2 3.87Å; F532-F579 AromaticContact CE2-CZ 3.54Å; F532-F579 HydrophobicContact CE2-CZ 3.54Å; F579-G581 VanDerWaalsContact CE1-CA 3.42Å; F579-G581 VanDerWaalsContact CE1-N 3.3Å; F579-G581 WeakPolarHBondContact CZ-O 3.42Å; F579-L582 HydrophobicContact CZ-CD2 3.96Å; F579-L582 HydrophobicContact CZ-CG 4.22Å
580	L	97.1	Very high	93.3	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-40.3	-177.3	-65.6	178.3	0	0	0	113.2	L416 V419 M516 F549 H551	L416-L580 HydrophobicContact CB-CB 4.45Å; L416-L580 HydrophobicContact CD1-CB 4.11Å; V419-L580 HydrophobicContact CB-CD1 4.19Å; V419-L580 HydrophobicContact CG2-CD1 3.37Å; M516-L580 HydrophobicContact CB-CD2 3.67Å; M516-L580 HydrophobicContact CE-CD2 3.92Å; M516-L580 HydrophobicContact CG-CD2 4.22Å; M516-L580 HydrophobicContact SD-CD2 3.61Å; F549-L580 PolarHBondContact O-N 3.36Å; H551-L580 HydrophobicContact CB-CD1 4.16Å
581	G	96.5	Very high	93.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.8	176.4	-174.1	0	0	0	0	0	114.5	W387 F549 F579	W387-G581 CarbonylContact O-C 3.58Å; W387-G581 WeakPolarHBondContact O-CA 3.43Å; F549-G581 PolarHBondContact N-O 2.84Å; F549-G581 PolarHBondContact O-N 3.43Å; F579-G581 VanDerWaalsContact CE1-CA 3.42Å; F579-G581 VanDerWaalsContact CE1-N 3.3Å; F579-G581 WeakPolarHBondContact CZ-O 3.42Å
582	L	97.6	Very high	93.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	148.7	169.3	-58.4	170.6	0	0	0	110	M386 W387 P505 F532 V546 L547 F579	M386-L582 CarbonylContact C-O 3.5Å; M386-L582 VanDerWaalsContact CA-O 3.3Å; M386-L582 WeakPolarHBondContact CA-O 3.47Å; W387-L582 HydrophobicContact CB-CB 3.96Å; W387-L582 HydrophobicContact CB-CD1 4.32Å; W387-L582 HydrophobicContact CB-CG 4.4Å; W387-L582 HydrophobicContact CE3-CD1 4.22Å; W387-L582 HydrophobicContact CE3-CG 4.11Å; W387-L582 PolarHBondContact N-O 3.47Å; W387-L582 PolarHBondContact O-N 3.36Å; P505-L582 HydrophobicContact CB-CD2 3.9Å; P505-L582 HydrophobicContact CG-CD2 4.26Å; F532-L582 HydrophobicContact CD2-CD1 4.2Å; F532-L582 HydrophobicContact CD2-CD2 4.37Å; F532-L582 HydrophobicContact CD2-CG 4.38Å; F532-L582 HydrophobicContact CE2-CD1 4.04Å; F532-L582 HydrophobicContact CE2-CD2 3.54Å; F532-L582 HydrophobicContact CE2-CG 4.03Å; F532-L582 HydrophobicContact CZ-CD2 4.11Å; V546-L582 HydrophobicContact CG1-CB 3.88Å; V546-L582 HydrophobicContact CG1-CD1 4.08Å; V546-L582 HydrophobicContact CG1-CD2 3.95Å; V546-L582 HydrophobicContact CG1-CG 4.2Å; L547-L582 WeakPolarHBondContact O-CA 3.34Å; F579-L582 HydrophobicContact CZ-CD2 3.96Å; F579-L582 HydrophobicContact CZ-CG 4.22Å
583	I	97.4	Very high	93.7	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.1	164.8	-52.4	-178.2	0	0	0	107.3	V383 M386 L416 A420 L451 L547 F549	V383-I583 HydrophobicContact CB-CG2 4.31Å; V383-I583 HydrophobicContact CG1-CG2 3.47Å; V383-I583 VanDerWaalsContact CG1-CG2 3.47Å; V383-I583 HydrophobicContact CG2-CG2 3.89Å; M386-I583 HydrophobicContact CG-CB 4.45Å; M386-I583 HydrophobicContact CG-CG1 4.14Å; M386-I583 HydrophobicContact CG-CG2 4.04Å; L416-I583 HydrophobicContact CD1-CD1 4.18Å; L416-I583 HydrophobicContact CD1-CG1 4.3Å; L416-I583 HydrophobicContact CD2-CD1 4.44Å; L416-I583 HydrophobicContact CD2-CG1 4.27Å; L416-I583 HydrophobicContact CG-CD1 4.19Å; L416-I583 HydrophobicContact CG-CG1 4.45Å; A420-I583 HydrophobicContact CB-CD1 4.04Å; L451-I583 HydrophobicContact CD2-CB 4.34Å; L451-I583 HydrophobicContact CD2-CD1 3.93Å; L451-I583 HydrophobicContact CD2-CG2 3.92Å; L547-I583 PolarHBondContact N-O 3.35Å; L547-I583 PolarHBondContact O-N 3.4Å; F549-I583 HydrophobicContact CD2-CB 4.25Å; F549-I583 HydrophobicContact CD2-CD1 4.06Å; F549-I583 HydrophobicContact CD2-CG1 3.79Å; F549-I583 HydrophobicContact CE1-CD1 4.4Å; F549-I583 HydrophobicContact CE2-CB 3.57Å; F549-I583 HydrophobicContact CE2-CD1 3.71Å; F549-I583 HydrophobicContact CE2-CG1 3.53Å; F549-I583 HydrophobicContact CZ-CB 4.25Å; F549-I583 HydrophobicContact CZ-CD1 3.88Å; F549-I583 HydrophobicContact CZ-CG1 4.2Å
584	S	95.7	Very high	93.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	153.8	173	69	0	0	0	0	111.3	V383 A384 H385 E544 R545	V383-S584 WeakPolarHBondContact CA-O 3.34Å; A384-S584 PolarHBondContact N-O 2.98Å; H385-S584 WeakPolarHBondContact CA-OG 3.35Å; H385-S584 VanDerWaalsContact CB-OG 3.3Å; H385-S584 WeakPolarHBondContact CB-OG 3.3Å; H385-S584 PolarHBondContact N-OG 2.53Å; H385-S584 VanDerWaalsContact N-OG 3.09Å; H385-S584 PolarHBondContact O-N 3.45Å; H385-S584 PolarHBondContact O-OG 2.79Å; E544-S584 WeakPolarHBondContact OE2-CB 3.49Å; E544-S584 PolarHBondContact OE2-OG 3.04Å; R545-S584 CarbonylContact O-C 3.53Å; R545-S584 WeakPolarHBondContact O-CA 3.45Å
585	M	94.3	Very high	94	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	146.5	-178.8	57.2	-170.1	70.7	0	0	110.5	M381 T382 S447 A450 L451 R545 L547	M381-M585 HydrophobicContact CG-CB 4.04Å; M381-M585 HydrophobicContact CG-CG 3.88Å; M381-M585 HydrophobicContact CG-SD 3.81Å; M381-M585 HydrophobicContact SD-CB 3.84Å; M381-M585 HydrophobicContact SD-CG 3.67Å; M381-M585 HydrophobicContact SD-SD 4.35Å; T382-M585 CarbonylContact O-C 3.53Å; T382-M585 WeakPolarHBondContact O-CA 3.29Å; T382-M585 VanDerWaalsContact O-CB 3.31Å; T382-M585 WeakPolarHBondContact O-CB 3.42Å; S447-M585 WeakPolarHBondContact CA-SD 3.22Å; S447-M585 WeakPolarHBondContact CB-SD 3.47Å; S447-M585 PolarHBondContact OG-SD 3.4Å; S447-M585 VanDerWaalsContact OG-SD 3.37Å; A450-M585 HydrophobicContact CB-SD 4.22Å; L451-M585 HydrophobicContact CD1-CE 4.32Å; L451-M585 HydrophobicContact CD2-CE 3.93Å; L451-M585 HydrophobicContact CG-CE 3.87Å; R545-M585 HydrophobicContact CB-CG 4.12Å; R545-M585 PolarHBondContact N-O 3.14Å; R545-M585 PolarHBondContact O-N 3.48Å; L547-M585 HydrophobicContact CD1-CE 3.8Å; L547-M585 HydrophobicContact CG-CE 4.5Å
586	I	92.1	Very high	94.1	Very high	15 Å²	15	21.4 Å²	21.4	8%	0.077	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	167.7	178.7	-163.7	164.7	0	0	0	109	M381 T382 A384 E544 P588 T617 I621	M381-I586 VanDerWaalsContact SD-CA 3.59Å; T382-I586 PolarHBondContact N-O 2.94Å; T382-I586 PolarHBondContact O-N 3.23Å; T382-I586 VanDerWaalsContact O-O 3.08Å; A384-I586 HydrophobicContact CB-CG2 3.86Å; E544-I586 HydrophobicContact CG-CB 4.17Å; E544-I586 HydrophobicContact CG-CD1 4.11Å; I586-P588 HydrophobicContact CG2-CB 4.45Å; I586-P588 VanDerWaalsContact O-CD 3.25Å; I586-P588 WeakPolarHBondContact O-CD 3.28Å; I586-T617 HydrophobicContact CD1-CG2 4.5Å; I586-I621 HydrophobicContact CD1-CD1 3.78Å; I586-I621 HydrophobicContact CD1-CG1 4.38Å; I586-I621 HydrophobicContact CG1-CD1 4.32Å
587	D	90.7	Very high	94.3	Very high	15 Å²	15	14.3 Å²	14.3	8%	0.08	9%	0.09	C	C	.	.			trans	-84.5	100.9	162.4	176	27.1	0	0	0	108.7	K372 T377 Q378 N379 R380	K372-D587 IonicContact NZ-OD2 3.43Å; T377-D587 VanDerWaalsContact CB-CG 3.47Å; T377-D587 WeakPolarHBondContact CB-OD1 3.44Å; T377-D587 VanDerWaalsContact CB-OD2 3.23Å; T377-D587 WeakPolarHBondContact CB-OD2 3.28Å; T377-D587 WeakPolarHBondContact CG2-O 3.48Å; T377-D587 VanDerWaalsContact OG1-CG 3.24Å; T377-D587 PolarHBondContact OG1-OD1 3.32Å; T377-D587 PolarHBondContact OG1-OD2 3.45Å; Q378-D587 PolarHBondContact N-OD1 3.35Å; N379-D587 VanDerWaalsContact CA-OD1 3.28Å; N379-D587 WeakPolarHBondContact CA-OD1 3.42Å; N379-D587 PolarHBondContact N-OD1 3.21Å; R380-D587 PolarHBondContact N-OD1 2.78Å
588	P	92.2	Very high	94.3	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-80.3	157.6	-167.4	34.6	-35.9	0	0	0	112	T377 Q378 R380 T397 I586	T377-P588 CarbonylContact C-O 3.57Å; T377-P588 WeakPolarHBondContact CA-O 3.47Å; T377-P588 VanDerWaalsContact CB-O 3.26Å; T377-P588 WeakPolarHBondContact CB-O 3.43Å; Q378-P588 PolarHBondContact N-O 3.06Å; R380-P588 VanDerWaalsContact O-CD 3.23Å; R380-P588 WeakPolarHBondContact O-CD 3.4Å; T397-P588 HydrophobicContact CG2-CB 4.18Å; I586-P588 HydrophobicContact CG2-CB 4.45Å; I586-P588 VanDerWaalsContact O-CD 3.25Å; I586-P588 WeakPolarHBondContact O-CD 3.28Å
589	P	93.1	Very high	94.2	Very high	29 Å²	29	20.3 Å²	20.3	19%	0.188	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-54.9	153.1	168.8	-24.3	35.1	0	0	0	112.8	L376 Q378 I621 V625	L376-P589 WeakPolarHBondContact O-CA 3.45Å; Q378-P589 PolarHBondContact NE2-O 2.86Å; P589-I621 HydrophobicContact CG-CD1 4.41Å; P589-V625 HydrophobicContact CB-CG1 3.75Å; P589-V625 HydrophobicContact CG-CG1 3.68Å
590	R	90.8	Very high	94.1	Very high	17 Å²	17	20.2 Å²	20.2	6%	0.064	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-70.5	148.8	166.3	-58.5	173.6	177.4	-90.2	11	109.6	G374 L376 T377 Q378 E399 A592 V593 P594 D749	G374-R590 PolarHBondContact O-NH2 3.01Å; L376-R590 PolarHBondContact O-N 2.87Å; T377-R590 PolarHBondContact O-NE 3.38Å; Q378-R590 HydrophobicContact CG-CB 4.46Å; Q378-R590 HydrophobicContact CG-CG 3.82Å; E399-R590 IonicContact OE2-NH1 2.72Å; R590-A592 VanDerWaalsContact C-N 3.27Å; R590-A592 PolarHBondContact O-N 3.44Å; R590-A592 VanDerWaalsContact O-N 3.16Å; R590-V593 HydrophobicContact CB-CB 4.48Å; R590-V593 HydrophobicContact CB-CG2 3.75Å; R590-V593 HydrophobicContact CG-CG2 4.43Å; R590-V593 WeakPolarHBondContact O-CB 3.36Å; R590-V593 PolarHBondContact O-N 2.83Å; R590-P594 WeakPolarHBondContact O-CD 3.29Å; R590-D749 IonicContact NH2-OD2 3.51Å; R590-D749 PolarHBondContact NH2-OD2 3.14Å
591	A	88.1	Confident	94.1	Very high	42 Å²	42	24 Å²	24	35%	0.347	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-39	-171.5	0	0	0	0	0	113.5	T398	T398-A591 HydrophobicContact CG2-CB 4.25Å
592	A	90.6	Very high	94	Very high	31 Å²	31	27.9 Å²	27.9	26%	0.256	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.7	-178.1	0	0	0	0	0	114.7	R590 A596 N750 A752	R590-A592 VanDerWaalsContact C-N 3.27Å; R590-A592 PolarHBondContact O-N 3.44Å; R590-A592 VanDerWaalsContact O-N 3.16Å; A592-A596 WeakPolarHBondContact O-CB 3.32Å; A592-A596 PolarHBondContact O-N 3.41Å; A592-N750 WeakPolarHBondContact CB-OD1 3.3Å; A592-A752 HydrophobicContact CB-CB 4.06Å
593	V	94.3	Very high	93.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-47.7	-171.6	164.2	0	0	0	0	113	L376 R590 D595 A596 V597 V625 F751	L376-V593 HydrophobicContact CB-CG1 4.21Å; L376-V593 HydrophobicContact CD2-CG1 3.59Å; L376-V593 HydrophobicContact CG-CG1 4.5Å; L376-V593 WeakPolarHBondContact O-CG2 3.41Å; R590-V593 HydrophobicContact CB-CB 4.48Å; R590-V593 HydrophobicContact CB-CG2 3.75Å; R590-V593 HydrophobicContact CG-CG2 4.43Å; R590-V593 WeakPolarHBondContact O-CB 3.36Å; R590-V593 PolarHBondContact O-N 2.83Å; V593-D595 PolarHBondContact O-N 3.42Å; V593-A596 PolarHBondContact O-N 3.03Å; V593-V597 HydrophobicContact CG1-CG2 4.2Å; V593-V597 WeakPolarHBondContact O-CG2 3.3Å; V593-V597 PolarHBondContact O-N 3.39Å; V593-V625 HydrophobicContact CG1-CB 3.92Å; V593-V625 HydrophobicContact CG1-CG1 3.67Å; V593-F751 HydrophobicContact CG2-CB 3.43Å; V593-F751 VanDerWaalsContact CG2-CB 3.43Å; V593-F751 HydrophobicContact CG2-CD1 4.32Å; V593-F751 HydrophobicContact CG2-CD2 4.41Å; V593-F751 HydrophobicContact CG2-CG 3.83Å
594	P	93.4	Very high	93.8	Very high	52 Å²	52	28.8 Å²	28.8	34%	0.338	18%	0.175	S	C	.	.	H	α-helix	trans	-57.5	-47.3	-179.7	-26.3	35.2	0	0	0	113.4	R590 G598	R590-P594 WeakPolarHBondContact O-CD 3.29Å; P594-G598 PolarHBondContact O-N 2.91Å
595	D	94.4	Very high	93.8	Very high	92 Å²	92	29 Å²	29	49%	0.492	18%	0.176	S	C	.	.	H	α-helix	trans	-64.7	-41	176.6	175.8	59.8	0	0	0	111.7	V593 G598 K599	V593-D595 PolarHBondContact O-N 3.42Å; D595-G598 PolarHBondContact O-N 3.19Å; D595-K599 WeakPolarHBondContact O-CG 3.31Å; D595-K599 PolarHBondContact O-N 3.05Å; D595-K599 WeakPolarHBondContact OD1-CE 3.47Å; D595-K599 IonicContact OD1-NZ 2.87Å; D595-K599 WeakPolarHBondContact OD2-CE 3.19Å; D595-K599 IonicContact OD2-NZ 3.68Å; D595-K599 PolarHBondContact OD2-NZ 3.35Å
596	A	95.5	Very high	93.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-42.4	179.9	0	0	0	0	0	112.9	A592 V593 K599 C600 F751 A752 V755	A592-A596 WeakPolarHBondContact O-CB 3.32Å; A592-A596 PolarHBondContact O-N 3.41Å; V593-A596 PolarHBondContact O-N 3.03Å; A596-K599 PolarHBondContact O-N 3.05Å; A596-C600 PolarHBondContact O-N 3.07Å; A596-C600 PolarHBondContact O-SG 3.02Å; A596-F751 HydrophobicContact CB-CD1 3.74Å; A596-F751 HydrophobicContact CB-CE1 4.41Å; A596-A752 HydrophobicContact CB-CB 4.36Å; A596-V755 HydrophobicContact CB-CG2 3.8Å; A596-V755 WeakPolarHBondContact O-CG2 3.49Å
597	V	96.1	Very high	94.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-45.6	173	172.1	0	0	0	0	110.2	L376 V593 K599 C600 R601 V607 V625 I627 F751	L376-V597 HydrophobicContact CD2-CG2 4.41Å; V593-V597 HydrophobicContact CG1-CG2 4.2Å; V593-V597 WeakPolarHBondContact O-CG2 3.3Å; V593-V597 PolarHBondContact O-N 3.39Å; V597-K599 VanDerWaalsContact C-N 3.31Å; V597-K599 PolarHBondContact O-N 3.42Å; V597-C600 PolarHBondContact O-N 3.47Å; V597-R601 WeakPolarHBondContact O-CG 3.5Å; V597-R601 PolarHBondContact O-N 3.25Å; V597-V607 HydrophobicContact CG1-CG2 4.4Å; V597-V625 WeakPolarHBondContact CB-O 3.25Å; V597-V625 WeakPolarHBondContact CG1-O 3.36Å; V597-I627 HydrophobicContact CG1-CG1 4.07Å; V597-F751 HydrophobicContact CG2-CE1 4.13Å
598	G	95.5	Very high	94.4	Very high	32 Å²	32	30 Å²	30	33%	0.33	18%	0.18	S	C	.	.	H	α-helix	trans	-56.9	-41.6	175.4	0	0	0	0	0	113.1	P594 D595 R601 S602	P594-G598 PolarHBondContact O-N 2.91Å; D595-G598 PolarHBondContact O-N 3.19Å; G598-R601 PolarHBondContact O-N 3Å; G598-S602 WeakPolarHBondContact O-CB 3.33Å; G598-S602 PolarHBondContact O-N 3.34Å; G598-S602 PolarHBondContact O-OG 3.29Å
599	K	95.9	Very high	94.7	Very high	93 Å²	93	30 Å²	30	40%	0.404	18%	0.18	S	C	.	.	H	α-helix	trans	-68	-39.9	175.7	-75.8	175.9	-179.4	160.1	0	112.9	D595 A596 V597 R601 S602 A603 V755	D595-K599 WeakPolarHBondContact O-CG 3.31Å; D595-K599 PolarHBondContact O-N 3.05Å; D595-K599 WeakPolarHBondContact OD1-CE 3.47Å; D595-K599 IonicContact OD1-NZ 2.87Å; D595-K599 WeakPolarHBondContact OD2-CE 3.19Å; D595-K599 IonicContact OD2-NZ 3.68Å; D595-K599 PolarHBondContact OD2-NZ 3.35Å; A596-K599 PolarHBondContact O-N 3.05Å; V597-K599 VanDerWaalsContact C-N 3.31Å; V597-K599 PolarHBondContact O-N 3.42Å; K599-R601 VanDerWaalsContact C-N 3.35Å; K599-S602 WeakPolarHBondContact O-CB 3.2Å; K599-S602 PolarHBondContact O-N 3.44Å; K599-A603 WeakPolarHBondContact O-CB 3.39Å; K599-A603 PolarHBondContact O-N 3.15Å; K599-V755 HydrophobicContact CB-CG1 3.89Å; K599-V755 HydrophobicContact CB-CG2 4.04Å; K599-V755 HydrophobicContact CD-CG1 3.97Å
600	C	96.1	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-44.6	174.6	-68.1	0	0	0	0	111.1	I368 A596 V597 A603 G604 I605 V607	I368-C600 HydrophobicContact CD1-CB 4.27Å; A596-C600 PolarHBondContact O-N 3.07Å; A596-C600 PolarHBondContact O-SG 3.02Å; V597-C600 PolarHBondContact O-N 3.47Å; C600-A603 CarbonylContact O-C 3.58Å; C600-A603 WeakPolarHBondContact O-CB 3.42Å; C600-A603 PolarHBondContact O-N 3.34Å; C600-A603 VanDerWaalsContact O-N 3.17Å; C600-G604 PolarHBondContact O-N 3.34Å; C600-I605 HydrophobicContact CB-CB 4.33Å; C600-I605 VanDerWaalsContact O-CB 3.3Å; C600-I605 WeakPolarHBondContact O-CB 3.43Å; C600-I605 PolarHBondContact O-N 3.1Å; C600-V607 HydrophobicContact CB-CG2 4.23Å
601	R	95.3	Very high	95	Very high	81 Å²	81	28.1 Å²	28.1	31%	0.306	17%	0.17	S	C	.	.	H	α-helix	trans	-65.3	-40	175.9	-66.8	-172.6	72	-179	2.2	112.3	V597 G598 K599 A603 G604 V607 G626 I627 S629 E681	V597-R601 WeakPolarHBondContact O-CG 3.5Å; V597-R601 PolarHBondContact O-N 3.25Å; G598-R601 PolarHBondContact O-N 3Å; K599-R601 VanDerWaalsContact C-N 3.35Å; R601-A603 PolarHBondContact O-N 3.21Å; R601-G604 WeakPolarHBondContact O-CA 3.49Å; R601-G604 PolarHBondContact O-N 2.84Å; R601-V607 HydrophobicContact CG-CG2 4.12Å; R601-G626 WeakPolarHBondContact CD-O 3.4Å; R601-G626 PolarHBondContact NH1-O 2.98Å; R601-I627 PolarHBondContact NH1-O 3.16Å; R601-S629 PolarHBondContact NH1-OG 3.17Å; R601-S629 PolarHBondContact NH2-OG 3.23Å; R601-E681 IonicContact CZ-OE1 2.77Å; R601-E681 IonicContact NH1-OE1 3.86Å; R601-E681 PolarHBondContact NH1-OE1 3.11Å; R601-E681 IonicContact NH2-OE1 3.09Å; R601-E681 PolarHBondContact NH2-OE1 3.16Å
602	S	94.8	Very high	94.9	Very high	82 Å²	82	26.3 Å²	26.3	57%	0.573	16%	0.155	S	C	*	.	H	α-helix	trans	-59.3	-32.7	173.6	-61.2	0	0	0	0	112.3	G598 K599 G604	G598-S602 WeakPolarHBondContact O-CB 3.33Å; G598-S602 PolarHBondContact O-N 3.34Å; G598-S602 PolarHBondContact O-OG 3.29Å; K599-S602 WeakPolarHBondContact O-CB 3.2Å; K599-S602 PolarHBondContact O-N 3.44Å; S602-G604 PolarHBondContact O-N 3.22Å
603	A	95.3	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	6.9	173.9	0	0	0	0	0	114.2	K599 C600 R601 I605 R762 M828 R830 P832	K599-A603 WeakPolarHBondContact O-CB 3.39Å; K599-A603 PolarHBondContact O-N 3.15Å; C600-A603 CarbonylContact O-C 3.58Å; C600-A603 WeakPolarHBondContact O-CB 3.42Å; C600-A603 PolarHBondContact O-N 3.34Å; C600-A603 VanDerWaalsContact O-N 3.17Å; R601-A603 PolarHBondContact O-N 3.21Å; A603-I605 HydrophobicContact CB-CG1 4.5Å; A603-R762 PolarHBondContact O-NH2 3.02Å; A603-M828 WeakPolarHBondContact CA-O 3.08Å; A603-M828 HydrophobicContact CB-CE 4Å; A603-M828 WeakPolarHBondContact CB-O 3.05Å; A603-M828 PolarHBondContact N-O 3.21Å; A603-R830 CarbonylContact C-O 3.54Å; A603-P832 WeakPolarHBondContact O-CD 3.23Å
604	G	95.1	Very high	94.1	Very high	21 Å²	21	29.8 Å²	29.8	22%	0.216	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	13.8	178.9	0	0	0	0	0	115.1	C600 R601 S602 Q831	C600-G604 PolarHBondContact O-N 3.34Å; R601-G604 WeakPolarHBondContact O-CA 3.49Å; R601-G604 PolarHBondContact O-N 2.84Å; S602-G604 PolarHBondContact O-N 3.22Å; G604-Q831 VanDerWaalsContact CA-OE1 3.28Å
605	I	96.6	Very high	93.9	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	16%	0.159	C	C	.	.			trans	-85.8	128.4	179.4	-55.9	178	0	0	0	109.3	T365 I368 C600 A603 V758 P832	T365-I605 HydrophobicContact CG2-CG2 4.45Å; I368-I605 HydrophobicContact CB-CG2 4.42Å; I368-I605 HydrophobicContact CD1-CG2 3.78Å; I368-I605 HydrophobicContact CG1-CG2 3.75Å; C600-I605 HydrophobicContact CB-CB 4.33Å; C600-I605 VanDerWaalsContact O-CB 3.3Å; C600-I605 WeakPolarHBondContact O-CB 3.43Å; C600-I605 PolarHBondContact O-N 3.1Å; A603-I605 HydrophobicContact CB-CG1 4.5Å; I605-V758 HydrophobicContact CD1-CG1 3.9Å; I605-V758 HydrophobicContact CD1-CG2 3.83Å; I605-P832 HydrophobicContact CG1-CG 4.05Å
606	K	96	Very high	93.6	Very high	45 Å²	45	28.4 Å²	28.4	20%	0.196	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.2	172.5	-173.9	175.7	-175.9	168.4	0	109.6	S366 T367 I368 I608 L676 H679 T680	S366-K606 PolarHBondContact O-N 3.28Å; T367-K606 CarbonylContact C-O 3.53Å; T367-K606 VanDerWaalsContact CA-O 3.22Å; T367-K606 WeakPolarHBondContact CA-O 3.31Å; T367-K606 HydrophobicContact CG2-CB 4.38Å; I368-K606 PolarHBondContact N-O 2.99Å; K606-I608 HydrophobicContact CD-CD1 4.39Å; K606-I608 HydrophobicContact CG-CG1 4.29Å; K606-L676 PolarHBondContact NZ-O 2.91Å; K606-H679 PolarHBondContact NZ-O 2.86Å; K606-T680 VanDerWaalsContact CE-O 3.3Å; K606-T680 WeakPolarHBondContact CE-O 3.26Å
607	V	96.9	Very high	93.2	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.036	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.9	178.3	-171.4	0	0	0	0	109	I368 V597 C600 R601 I627	I368-V607 WeakPolarHBondContact O-CA 3.33Å; V597-V607 HydrophobicContact CG1-CG2 4.4Å; C600-V607 HydrophobicContact CB-CG2 4.23Å; R601-V607 HydrophobicContact CG-CG2 4.12Å; V607-I627 HydrophobicContact CB-CG1 4.32Å; V607-I627 HydrophobicContact CG1-CD1 3.97Å; V607-I627 HydrophobicContact CG1-CG1 3.8Å
608	I	97.6	Very high	93	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129	-179	-59.8	178.4	0	0	0	107.8	T367 I368 C369 S370 K606 V610 L676 I682 F684	T367-I608 HydrophobicContact CG2-CD1 3.85Å; T367-I608 HydrophobicContact CG2-CG1 4.27Å; I368-I608 PolarHBondContact O-N 2.83Å; C369-I608 CarbonylContact C-O 3.51Å; C369-I608 WeakPolarHBondContact CA-O 3.49Å; S370-I608 PolarHBondContact N-O 2.79Å; K606-I608 HydrophobicContact CD-CD1 4.39Å; K606-I608 HydrophobicContact CG-CG1 4.29Å; I608-V610 HydrophobicContact CG2-CG2 3.97Å; I608-L676 HydrophobicContact CD1-CD2 4.16Å; I608-I682 HydrophobicContact CD1-CD1 4.37Å; I608-I682 HydrophobicContact CG1-CB 4.41Å; I608-I682 HydrophobicContact CG2-CB 4.18Å; I608-I682 HydrophobicContact CG2-CG2 4.26Å; I608-F684 HydrophobicContact CG2-CD2 3.81Å; I608-F684 HydrophobicContact CG2-CE2 3.96Å
609	M	97.7	Very high	92.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	131.5	171.3	-174.7	-179.3	-70.9	0	0	109.5	S370 K372 L376 T611 A618 I621 A622 I627 I682 V683 F684	S370-M609 WeakPolarHBondContact O-CA 3.46Å; K372-M609 HydrophobicContact CB-CE 4.43Å; K372-M609 HydrophobicContact CB-CG 4.31Å; K372-M609 HydrophobicContact CB-SD 4Å; K372-M609 HydrophobicContact CG-CE 4.17Å; K372-M609 HydrophobicContact CG-SD 4.08Å; L376-M609 HydrophobicContact CD1-CE 3.85Å; M609-T611 HydrophobicContact CG-CG2 4.19Å; M609-T611 HydrophobicContact SD-CG2 4.08Å; M609-A618 HydrophobicContact SD-CB 4.09Å; M609-I621 HydrophobicContact CE-CB 4.39Å; M609-I621 HydrophobicContact CE-CG2 4Å; M609-A622 HydrophobicContact CE-CB 3.75Å; M609-A622 HydrophobicContact SD-CB 4.36Å; M609-I627 HydrophobicContact CB-CD1 4.04Å; M609-I627 HydrophobicContact CE-CD1 3.94Å; M609-I682 PolarHBondContact N-O 2.72Å; M609-I682 VanDerWaalsContact N-O 3.14Å; M609-V683 HydrophobicContact CB-CB 4.46Å; M609-V683 HydrophobicContact CB-CG1 4.2Å; M609-V683 HydrophobicContact CB-CG2 4.21Å; M609-V683 HydrophobicContact CG-CG1 4.38Å; M609-V683 HydrophobicContact SD-CG1 4.02Å; M609-F684 PolarHBondContact O-N 3.39Å
610	V	96.3	Very high	92.6	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	96.1	177	-172.8	0	0	0	0	109.3	C369 S370 I608 F684 K692 I695	C369-V610 HydrophobicContact CB-CG2 4.14Å; S370-V610 PolarHBondContact O-N 3.31Å; I608-V610 HydrophobicContact CG2-CG2 3.97Å; V610-F684 HydrophobicContact CG1-CB 4.49Å; V610-F684 HydrophobicContact CG2-CD2 4.3Å; V610-K692 HydrophobicContact CG1-CB 4Å; V610-K692 HydrophobicContact CG1-CD 3.9Å; V610-K692 HydrophobicContact CG1-CG 3.65Å; V610-K692 WeakPolarHBondContact O-CE 3.15Å; V610-K692 PolarHBondContact O-NZ 2.87Å; V610-I695 HydrophobicContact CG1-CD1 3.67Å; V610-I695 HydrophobicContact CG2-CD1 4.41Å; V610-I695 HydrophobicContact CG2-CG2 4.03Å
611	T	92.8	Very high	92.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.			trans	-128	152.3	-171.8	-176.7	0	0	0	0	112.6	K372 M609 D613 A618 F684 A685 R686 T687	K372-T611 HydrophobicContact CB-CG2 4.28Å; M609-T611 HydrophobicContact CG-CG2 4.19Å; M609-T611 HydrophobicContact SD-CG2 4.08Å; T611-D613 VanDerWaalsContact C-N 3.29Å; T611-D613 HydrophobicContact CG2-CB 4.08Å; T611-D613 VanDerWaalsContact OG1-CB 3.29Å; T611-D613 WeakPolarHBondContact OG1-CB 3.46Å; T611-D613 PolarHBondContact OG1-N 3.48Å; T611-D613 VanDerWaalsContact OG1-N 3.08Å; T611-A618 HydrophobicContact CG2-CB 3.68Å; T611-F684 PolarHBondContact N-O 3.01Å; T611-A685 CarbonylContact O-C 3.53Å; T611-A685 WeakPolarHBondContact O-CA 3.46Å; T611-R686 PolarHBondContact O-N 2.92Å; T611-R686 VanDerWaalsContact O-N 3.14Å; T611-T687 VanDerWaalsContact C-OG1 3.25Å; T611-T687 PolarHBondContact O-N 3.35Å; T611-T687 PolarHBondContact O-OG1 3.21Å
612	G	86.4	Confident	92.4	Very high	4 Å²	4	23.2 Å²	23.2	4%	0.041	14%	0.135	C	C	.	.	S	Bend	trans	-84.7	-2.6	168.6	0	0	0	0	0	113.8	T214 R686	T214-G612 VanDerWaalsContact O-CA 3.32Å; T214-G612 WeakPolarHBondContact O-CA 3.27Å; G612-R686 WeakPolarHBondContact O-CD 3.36Å; G612-R686 PolarHBondContact O-NH1 3.32Å
613	D	84.4	Confident	92.3	Very high	17 Å²	17	24.2 Å²	24.2	9%	0.091	13%	0.129	C	C	.	.	S	Bend	trans	-73.1	163.1	-178.7	-158.1	-4.3	0	0	0	112.6	E216 K372 T611 R686	E216-D613 WeakPolarHBondContact OE1-CA 3.34Å; K372-D613 HydrophobicContact CD-CB 4.34Å; K372-D613 WeakPolarHBondContact CD-OD2 3.48Å; K372-D613 WeakPolarHBondContact CE-OD2 3.42Å; K372-D613 IonicContact NZ-OD2 3.38Å; K372-D613 PolarHBondContact NZ-OD2 3.23Å; T611-D613 VanDerWaalsContact C-N 3.29Å; T611-D613 HydrophobicContact CG2-CB 4.08Å; T611-D613 VanDerWaalsContact OG1-CB 3.29Å; T611-D613 WeakPolarHBondContact OG1-CB 3.46Å; T611-D613 PolarHBondContact OG1-N 3.48Å; T611-D613 VanDerWaalsContact OG1-N 3.08Å; D613-R686 PolarHBondContact O-N 3.21Å
614	H	84.3	Confident	92.1	Very high	88 Å²	88	26.8 Å²	26.8	41%	0.407	16%	0.155	S	C	.	.			trans	-62.6	142.3	179.3	-165.6	-94.2	0	0	0	112.1	I616 T617 A618	H614-I616 VanDerWaalsContact C-N 3.3Å; H614-I616 PolarHBondContact ND1-N 3.34Å; H614-I616 PolarHBondContact O-N 2.95Å; H614-T617 PolarHBondContact O-N 3.47Å; H614-A618 WeakPolarHBondContact O-CB 3.39Å; H614-A618 PolarHBondContact O-N 2.94Å
615	P	89	Confident	92.1	Very high	26 Å²	26	25.9 Å²	25.9	17%	0.169	15%	0.145	C	C	.	.	H	α-helix	trans	-55	-38	-176.1	-28.7	34	0	0	0	115.6	A618 K619 V658 A685	P615-A618 PolarHBondContact O-N 3.32Å; P615-K619 WeakPolarHBondContact O-CB 3.35Å; P615-K619 PolarHBondContact O-N 3.33Å; P615-V658 HydrophobicContact CB-CG1 4.06Å; P615-A685 HydrophobicContact CB-CB 4.11Å; P615-A685 HydrophobicContact CG-CB 3.94Å
616	I	87.9	Confident	92	Very high	89 Å²	89	26.9 Å²	26.9	46%	0.456	16%	0.156	S	C	.	.	H	α-helix	trans	-63.6	-52.1	-178	-59.5	173.5	0	0	0	110	H614 K619 A620	H614-I616 VanDerWaalsContact C-N 3.3Å; H614-I616 PolarHBondContact ND1-N 3.34Å; H614-I616 PolarHBondContact O-N 2.95Å; I616-K619 PolarHBondContact O-N 3.04Å; I616-A620 WeakPolarHBondContact O-CB 3.42Å; I616-A620 PolarHBondContact O-N 2.86Å
617	T	87.3	Confident	92	Very high	30 Å²	30	24.8 Å²	24.8	18%	0.184	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-42.3	178	-53.1	0	0	0	0	111.3	G543 I586 H614 K619 A620 I621	G543-T617 PolarHBondContact O-OG1 3.38Å; I586-T617 HydrophobicContact CD1-CG2 4.5Å; H614-T617 PolarHBondContact O-N 3.47Å; T617-K619 PolarHBondContact O-N 3.25Å; T617-A620 PolarHBondContact O-N 3.44Å; T617-I621 HydrophobicContact CG2-CG1 4.43Å; T617-I621 WeakPolarHBondContact O-CG1 3.44Å; T617-I621 PolarHBondContact O-N 3.48Å
618	A	91.1	Very high	91.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-44.9	176.1	0	0	0	0	0	112	M609 T611 H614 P615 A622 V683 A685	M609-A618 HydrophobicContact SD-CB 4.09Å; T611-A618 HydrophobicContact CG2-CB 3.68Å; H614-A618 WeakPolarHBondContact O-CB 3.39Å; H614-A618 PolarHBondContact O-N 2.94Å; P615-A618 PolarHBondContact O-N 3.32Å; A618-A622 WeakPolarHBondContact O-CB 3.3Å; A618-A622 PolarHBondContact O-N 2.94Å; A618-V683 HydrophobicContact CB-CG1 3.83Å; A618-A685 HydrophobicContact CB-CB 4Å
619	K	92.7	Very high	91.7	Very high	39 Å²	39	26.5 Å²	26.5	17%	0.17	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-42.9	177.3	-175.4	178.5	-180	173.8	0	111.7	P615 I616 T617 A622 K623 I628 T634 D637 V658	P615-K619 WeakPolarHBondContact O-CB 3.35Å; P615-K619 PolarHBondContact O-N 3.33Å; I616-K619 PolarHBondContact O-N 3.04Å; T617-K619 PolarHBondContact O-N 3.25Å; K619-A622 PolarHBondContact O-N 3.32Å; K619-K623 PolarHBondContact O-N 2.93Å; K619-I628 HydrophobicContact CG-CD1 4.25Å; K619-T634 PolarHBondContact NZ-OG1 2.91Å; K619-T634 VanDerWaalsContact NZ-OG1 3.16Å; K619-D637 WeakPolarHBondContact CE-OD2 3.32Å; K619-D637 IonicContact NZ-OD1 3.66Å; K619-D637 PolarHBondContact NZ-OD1 3.44Å; K619-D637 IonicContact NZ-OD2 3.17Å; K619-D637 PolarHBondContact NZ-OD2 3.48Å; K619-V658 HydrophobicContact CB-CG2 4.19Å; K619-V658 HydrophobicContact CD-CG2 4.08Å; K619-V658 HydrophobicContact CG-CG2 4.1Å
620	A	90.5	Very high	91.2	Very high	22 Å²	22	36 Å²	36	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-48.4	178.4	0	0	0	0	0	112	L542 I616 T617 A622 K623 G624	L542-A620 WeakPolarHBondContact O-CB 3.39Å; I616-A620 WeakPolarHBondContact O-CB 3.42Å; I616-A620 PolarHBondContact O-N 2.86Å; T617-A620 PolarHBondContact O-N 3.44Å; A620-A622 VanDerWaalsContact C-N 3.32Å; A620-A622 PolarHBondContact O-N 3.3Å; A620-K623 PolarHBondContact O-N 2.91Å; A620-G624 PolarHBondContact O-N 3.36Å
621	I	92.7	Very high	90.7	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.036	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-40.4	175.6	-63.8	-63.8	0	0	0	110.9	K372 T377 I586 P589 M609 T617 K623 G624 V625	K372-I621 HydrophobicContact CD-CB 4.42Å; K372-I621 HydrophobicContact CD-CG1 4.27Å; K372-I621 HydrophobicContact CD-CG2 4.42Å; K372-I621 HydrophobicContact CG-CB 4.37Å; K372-I621 HydrophobicContact CG-CG2 3.9Å; T377-I621 HydrophobicContact CG2-CD1 4.28Å; T377-I621 HydrophobicContact CG2-CG1 4.47Å; T377-I621 HydrophobicContact CG2-CG2 3.96Å; I586-I621 HydrophobicContact CD1-CD1 3.78Å; I586-I621 HydrophobicContact CD1-CG1 4.38Å; I586-I621 HydrophobicContact CG1-CD1 4.32Å; P589-I621 HydrophobicContact CG-CD1 4.41Å; M609-I621 HydrophobicContact CE-CB 4.39Å; M609-I621 HydrophobicContact CE-CG2 4Å; T617-I621 HydrophobicContact CG2-CG1 4.43Å; T617-I621 WeakPolarHBondContact O-CG1 3.44Å; T617-I621 PolarHBondContact O-N 3.48Å; I621-K623 VanDerWaalsContact C-N 3.28Å; I621-K623 PolarHBondContact O-N 2.81Å; I621-G624 PolarHBondContact O-N 3.3Å; I621-G624 VanDerWaalsContact O-N 3.11Å; I621-V625 HydrophobicContact CG2-CG1 4.24Å; I621-V625 WeakPolarHBondContact O-CG2 3.35Å; I621-V625 PolarHBondContact O-N 2.88Å
622	A	94.9	Very high	90.6	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-36.3	177.5	0	0	0	0	0	112.8	M609 A618 K619 A620 G626 I627 I628 V683	M609-A622 HydrophobicContact CE-CB 3.75Å; M609-A622 HydrophobicContact SD-CB 4.36Å; A618-A622 WeakPolarHBondContact O-CB 3.3Å; A618-A622 PolarHBondContact O-N 2.94Å; K619-A622 PolarHBondContact O-N 3.32Å; A620-A622 VanDerWaalsContact C-N 3.32Å; A620-A622 PolarHBondContact O-N 3.3Å; A622-G626 PolarHBondContact O-N 2.86Å; A622-I627 HydrophobicContact CB-CB 4.16Å; A622-I627 HydrophobicContact CB-CG2 4.32Å; A622-I627 PolarHBondContact O-N 3.17Å; A622-I628 HydrophobicContact CB-CD1 4.03Å; A622-I628 HydrophobicContact CB-CG1 4.07Å; A622-I628 PolarHBondContact O-N 3.19Å; A622-V683 HydrophobicContact CB-CG2 3.51Å
623	K	93.2	Very high	90.8	Very high	103 Å²	103	43.6 Å²	43.6	45%	0.448	26%	0.259	S	S	.	.	H	α-helix	trans	-67.3	-48.9	170.3	-73	-178.5	175.4	-175.3	0	111.1	K619 A620 I621 V625 G626 I628	K619-K623 PolarHBondContact O-N 2.93Å; A620-K623 PolarHBondContact O-N 2.91Å; I621-K623 VanDerWaalsContact C-N 3.28Å; I621-K623 PolarHBondContact O-N 2.81Å; K623-V625 VanDerWaalsContact C-N 3.29Å; K623-V625 PolarHBondContact O-N 3.3Å; K623-G626 PolarHBondContact O-N 2.98Å; K623-G626 VanDerWaalsContact O-N 3.1Å; K623-I628 HydrophobicContact CG-CB 3.97Å; K623-I628 HydrophobicContact CG-CG2 3.97Å
624	G	90.7	Very high	91.2	Very high	53 Å²	53	42.9 Å²	42.9	55%	0.546	26%	0.255	S	S	.	.	H	α-helix	trans	-60.2	-31.5	-178.4	0	0	0	0	0	114.9	A620 I621	A620-G624 PolarHBondContact O-N 3.36Å; I621-G624 PolarHBondContact O-N 3.3Å; I621-G624 VanDerWaalsContact O-N 3.11Å
625	V	94.7	Very high	91.4	Very high	2 Å²	2	40 Å²	40	1%	0.012	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-2.2	177.4	-53.9	0	0	0	0	114.2	P589 V593 V597 I621 K623 I627	P589-V625 HydrophobicContact CB-CG1 3.75Å; P589-V625 HydrophobicContact CG-CG1 3.68Å; V593-V625 HydrophobicContact CG1-CB 3.92Å; V593-V625 HydrophobicContact CG1-CG1 3.67Å; V597-V625 WeakPolarHBondContact CB-O 3.25Å; V597-V625 WeakPolarHBondContact CG1-O 3.36Å; I621-V625 HydrophobicContact CG2-CG1 4.24Å; I621-V625 WeakPolarHBondContact O-CG2 3.35Å; I621-V625 PolarHBondContact O-N 2.88Å; K623-V625 VanDerWaalsContact C-N 3.29Å; K623-V625 PolarHBondContact O-N 3.3Å; V625-I627 HydrophobicContact CG2-CB 4.36Å; V625-I627 HydrophobicContact CG2-CD1 3.77Å; V625-I627 HydrophobicContact CG2-CG1 3.83Å
626	G	94.7	Very high	91.4	Very high	25 Å²	25	42.5 Å²	42.5	26%	0.258	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	21.2	178.7	0	0	0	0	0	115.7	R601 A622 K623	R601-G626 WeakPolarHBondContact CD-O 3.4Å; R601-G626 PolarHBondContact NH1-O 2.98Å; A622-G626 PolarHBondContact O-N 2.86Å; K623-G626 PolarHBondContact O-N 2.98Å; K623-G626 VanDerWaalsContact O-N 3.1Å
627	I	96.2	Very high	91.5	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	24%	0.239	C	C	.	.	S	Bend	trans	-72.1	-45.2	167.1	-72.2	169.4	0	0	0	109.9	L376 V597 R601 V607 M609 A622 V625 E681 V683	L376-I627 HydrophobicContact CD1-CD1 3.91Å; V597-I627 HydrophobicContact CG1-CG1 4.07Å; R601-I627 PolarHBondContact NH1-O 3.16Å; V607-I627 HydrophobicContact CB-CG1 4.32Å; V607-I627 HydrophobicContact CG1-CD1 3.97Å; V607-I627 HydrophobicContact CG1-CG1 3.8Å; M609-I627 HydrophobicContact CB-CD1 4.04Å; M609-I627 HydrophobicContact CE-CD1 3.94Å; A622-I627 HydrophobicContact CB-CB 4.16Å; A622-I627 HydrophobicContact CB-CG2 4.32Å; A622-I627 PolarHBondContact O-N 3.17Å; V625-I627 HydrophobicContact CG2-CB 4.36Å; V625-I627 HydrophobicContact CG2-CD1 3.77Å; V625-I627 HydrophobicContact CG2-CG1 3.83Å; I627-E681 WeakPolarHBondContact O-CG 3.46Å; I627-V683 HydrophobicContact CG2-CG2 4.43Å
628	I	96	Very high	91.7	Very high	3 Å²	3	39 Å²	39	2%	0.015	23%	0.234	C	C	.	.	S	Bend	trans	-97.6	123.6	167	-62.8	176.1	0	0	0	107.1	K619 A622 K623 A656 E681 V683	K619-I628 HydrophobicContact CG-CD1 4.25Å; A622-I628 HydrophobicContact CB-CD1 4.03Å; A622-I628 HydrophobicContact CB-CG1 4.07Å; A622-I628 PolarHBondContact O-N 3.19Å; K623-I628 HydrophobicContact CG-CB 3.97Å; K623-I628 HydrophobicContact CG-CG2 3.97Å; I628-A656 HydrophobicContact CG1-CB 4.46Å; I628-A656 HydrophobicContact CG2-CB 4.23Å; I628-E681 WeakPolarHBondContact CA-OE2 3.26Å; I628-E681 HydrophobicContact CG1-CB 4.43Å; I628-V683 HydrophobicContact CD1-CG2 3.85Å; I628-V683 HydrophobicContact CG1-CG2 4.21Å
629	S	93.3	Very high	91.7	Very high	40 Å²	40	39.3 Å²	39.3	28%	0.28	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-76.9	149.8	179.9	-50	0	0	0	0	111.2	R601 G631 N632 E681	R601-S629 PolarHBondContact NH1-OG 3.17Å; R601-S629 PolarHBondContact NH2-OG 3.23Å; S629-G631 PolarHBondContact O-N 3.43Å; S629-N632 PolarHBondContact O-N 3.45Å; S629-E681 WeakPolarHBondContact CB-OE1 3.4Å; S629-E681 PolarHBondContact N-OE1 3.27Å; S629-E681 PolarHBondContact N-OE2 2.93Å; S629-E681 PolarHBondContact OG-OE1 3.49Å
630	E	86.9	Confident	91.5	Very high	200 Å²	200	44.8 Å²	44.8	94%	0.935	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	132	170.1	-70.7	-174.9	172.4	0	0	111.2	N632	E630-N632 VanDerWaalsContact C-N 3.34Å; E630-N632 PolarHBondContact O-N 2.88Å
631	G	84.4	Confident	91.5	Very high	75 Å²	75	50.6 Å²	50.6	77%	0.773	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-9	-178.7	0	0	0	0	0	115.8	S629	S629-G631 PolarHBondContact O-N 3.43Å
632	N	91.4	Very high	91.5	Very high	37 Å²	37	54.5 Å²	54.5	20%	0.198	30%	0.301	C	S	.	.			trans	-81.5	134.1	168.8	-75.7	-24.2	0	0	0	110.5	S629 E630 A656 E681	S629-N632 PolarHBondContact O-N 3.45Å; E630-N632 VanDerWaalsContact C-N 3.34Å; E630-N632 PolarHBondContact O-N 2.88Å; N632-A656 HydrophobicContact CB-CB 4.49Å; N632-E681 WeakPolarHBondContact CB-OE2 3.3Å; N632-E681 PolarHBondContact ND2-OE1 2.99Å; N632-E681 PolarHBondContact ND2-OE2 2.86Å
633	E	90.2	Very high	91.3	Very high	58 Å²	58	62 Å²	62	27%	0.271	34%	0.339	S	S	.	.			trans	-107.6	148.2	-176.9	-61.7	-174.9	126.2	0	0	110.9	D637 I638 R641	E633-D637 HydrophobicContact CB-CB 3.94Å; E633-D637 HydrophobicContact CG-CB 4.35Å; E633-I638 HydrophobicContact CB-CD1 4.34Å; E633-I638 HydrophobicContact CB-CG1 3.75Å; E633-R641 WeakPolarHBondContact OE1-CD 3.38Å; E633-R641 IonicContact OE1-CZ 2.91Å; E633-R641 IonicContact OE1-NE 3.51Å; E633-R641 PolarHBondContact OE1-NE 2.85Å; E633-R641 IonicContact OE1-NH2 2.91Å; E633-R641 IonicContact OE2-CZ 3.56Å; E633-R641 IonicContact OE2-NE 3.15Å; E633-R641 PolarHBondContact OE2-NE 3.01Å; E633-R641 IonicContact OE2-NH2 3.69Å; E633-R641 PolarHBondContact OE2-NH2 3.29Å
634	T	92.6	Very high	91.3	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	33%	0.331	C	S	.	.			trans	-85.4	166.5	164.1	59.4	0	0	0	0	111.3	K619 E636 D637 I638 A656 V658	K619-T634 PolarHBondContact NZ-OG1 2.91Å; K619-T634 VanDerWaalsContact NZ-OG1 3.16Å; T634-E636 VanDerWaalsContact CB-OE2 3.28Å; T634-E636 WeakPolarHBondContact CB-OE2 3.44Å; T634-E636 PolarHBondContact O-N 3.36Å; T634-E636 PolarHBondContact OG1-OE2 2.91Å; T634-D637 WeakPolarHBondContact CB-OD2 3.29Å; T634-D637 PolarHBondContact N-OD2 2.83Å; T634-D637 PolarHBondContact O-N 3.17Å; T634-D637 VanDerWaalsContact O-N 3.12Å; T634-D637 PolarHBondContact OG1-N 2.97Å; T634-D637 PolarHBondContact OG1-OD2 3.03Å; T634-I638 WeakPolarHBondContact O-CG1 3.31Å; T634-I638 PolarHBondContact O-N 3.36Å; T634-A656 WeakPolarHBondContact CA-O 3.48Å; T634-A656 HydrophobicContact CG2-CB 4.08Å; T634-V658 HydrophobicContact CG2-CG2 4.14Å
635	V	89.6	Confident	91.4	Very high	28 Å²	28	60.6 Å²	60.6	17%	0.17	33%	0.327	C	S	.	.	H	α-helix	trans	-59.7	-32.1	174.6	-79.4	0	0	0	0	111.8	A639 V649 P651 A654	V635-A639 WeakPolarHBondContact O-CB 3.49Å; V635-A639 PolarHBondContact O-N 3.09Å; V635-A639 VanDerWaalsContact O-N 3.13Å; V635-V649 HydrophobicContact CB-CG1 4.28Å; V635-V649 HydrophobicContact CG1-CG1 3.99Å; V635-P651 HydrophobicContact CG1-CB 4.3Å; V635-A654 HydrophobicContact CG1-CB 3.74Å
636	E	89.4	Confident	91	Very high	79 Å²	79	65.4 Å²	65.4	37%	0.369	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-44.7	172.8	-60.2	75	-164.2	0	0	112.2	T634 I638 A639 E640 L646	T634-E636 VanDerWaalsContact CB-OE2 3.28Å; T634-E636 WeakPolarHBondContact CB-OE2 3.44Å; T634-E636 PolarHBondContact O-N 3.36Å; T634-E636 PolarHBondContact OG1-OE2 2.91Å; E636-I638 VanDerWaalsContact C-N 3.34Å; E636-I638 PolarHBondContact O-N 3.34Å; E636-A639 PolarHBondContact O-N 3.07Å; E636-E640 WeakPolarHBondContact O-CB 3.3Å; E636-E640 PolarHBondContact O-N 3.18Å; E636-L646 HydrophobicContact CB-CD2 4.36Å; E636-L646 HydrophobicContact CG-CD2 4.05Å
637	D	89.9	Confident	90.7	Very high	30 Å²	30	69.6 Å²	69.6	16%	0.16	38%	0.378	C	S	.	.	H	α-helix	trans	-63	-41	178.6	-62.6	-43.6	0	0	0	111.4	K619 E633 T634 E640 R641	K619-D637 WeakPolarHBondContact CE-OD2 3.32Å; K619-D637 IonicContact NZ-OD1 3.66Å; K619-D637 PolarHBondContact NZ-OD1 3.44Å; K619-D637 IonicContact NZ-OD2 3.17Å; K619-D637 PolarHBondContact NZ-OD2 3.48Å; E633-D637 HydrophobicContact CB-CB 3.94Å; E633-D637 HydrophobicContact CG-CB 4.35Å; T634-D637 WeakPolarHBondContact CB-OD2 3.29Å; T634-D637 PolarHBondContact N-OD2 2.83Å; T634-D637 PolarHBondContact O-N 3.17Å; T634-D637 VanDerWaalsContact O-N 3.12Å; T634-D637 PolarHBondContact OG1-N 2.97Å; T634-D637 PolarHBondContact OG1-OD2 3.03Å; D637-E640 PolarHBondContact O-N 3.45Å; D637-R641 VanDerWaalsContact O-CB 3.29Å; D637-R641 WeakPolarHBondContact O-CB 3.28Å; D637-R641 PolarHBondContact O-N 3.35Å
638	I	90	Very high	90.4	Very high	14 Å²	14	75.7 Å²	75.7	7%	0.072	41%	0.407	C	S	.	.	H	α-helix	trans	-64.9	-42.9	178	-63.6	169.2	0	0	0	110.4	E633 T634 E636 L642 V649 D653 A654	E633-I638 HydrophobicContact CB-CD1 4.34Å; E633-I638 HydrophobicContact CB-CG1 3.75Å; T634-I638 WeakPolarHBondContact O-CG1 3.31Å; T634-I638 PolarHBondContact O-N 3.36Å; E636-I638 VanDerWaalsContact C-N 3.34Å; E636-I638 PolarHBondContact O-N 3.34Å; I638-L642 HydrophobicContact CG2-CD1 3.7Å; I638-L642 HydrophobicContact CG2-CG 4.36Å; I638-L642 VanDerWaalsContact O-CB 3.3Å; I638-L642 WeakPolarHBondContact O-CB 3.22Å; I638-L642 WeakPolarHBondContact O-CG 3.48Å; I638-L642 PolarHBondContact O-N 3.03Å; I638-V649 HydrophobicContact CB-CG1 3.96Å; I638-V649 HydrophobicContact CB-CG2 4.44Å; I638-V649 HydrophobicContact CD1-CG1 4.13Å; I638-V649 HydrophobicContact CG2-CG1 3.77Å; I638-V649 HydrophobicContact CG2-CG2 4.11Å; I638-D653 HydrophobicContact CD1-CB 4.36Å; I638-A654 HydrophobicContact CD1-CB 3.95Å
639	A	91	Very high	90.1	Very high	8 Å²	8	76.2 Å²	76.2	7%	0.066	41%	0.41	C	S	.	.	H	α-helix	trans	-62.2	-44.9	178	0	0	0	0	0	111.7	V635 E636 I643 I644 L646 V649	V635-A639 WeakPolarHBondContact O-CB 3.49Å; V635-A639 PolarHBondContact O-N 3.09Å; V635-A639 VanDerWaalsContact O-N 3.13Å; E636-A639 PolarHBondContact O-N 3.07Å; A639-I643 WeakPolarHBondContact O-CA 3.43Å; A639-I643 PolarHBondContact O-N 2.88Å; A639-I644 WeakPolarHBondContact CB-O 3.34Å; A639-I644 PolarHBondContact O-N 2.84Å; A639-L646 HydrophobicContact CB-CD2 3.75Å; A639-L646 HydrophobicContact CB-CG 4.26Å; A639-V649 HydrophobicContact CB-CG2 3.87Å
640	E	88.6	Confident	89.8	Confident	154 Å²	154	78 Å²	78	72%	0.72	42%	0.416	S	S	*	.	H	α-helix	trans	-66.4	-46.5	179	-172.5	169.9	-160.3	0	0	111.6	E636 D637 L642 I643	E636-E640 WeakPolarHBondContact O-CB 3.3Å; E636-E640 PolarHBondContact O-N 3.18Å; D637-E640 PolarHBondContact O-N 3.45Å; E640-L642 PolarHBondContact O-N 2.95Å; E640-I643 PolarHBondContact O-N 3.13Å
641	R	91.3	Very high	89.8	Confident	143 Å²	143	71.7 Å²	71.7	54%	0.54	39%	0.393	S	S	.	.	H	α-helix	trans	-63.5	-40.5	178.8	-178.4	175.3	59.6	76.6	-2.5	113	E633 D637	E633-R641 WeakPolarHBondContact OE1-CD 3.38Å; E633-R641 IonicContact OE1-CZ 2.91Å; E633-R641 IonicContact OE1-NE 3.51Å; E633-R641 PolarHBondContact OE1-NE 2.85Å; E633-R641 IonicContact OE1-NH2 2.91Å; E633-R641 IonicContact OE2-CZ 3.56Å; E633-R641 IonicContact OE2-NE 3.15Å; E633-R641 PolarHBondContact OE2-NE 3.01Å; E633-R641 IonicContact OE2-NH2 3.69Å; E633-R641 PolarHBondContact OE2-NH2 3.29Å; D637-R641 VanDerWaalsContact O-CB 3.29Å; D637-R641 WeakPolarHBondContact O-CB 3.28Å; D637-R641 PolarHBondContact O-N 3.35Å
642	L	91.4	Very high	90	Very high	89 Å²	89	74.9 Å²	74.9	47%	0.466	38%	0.381	S	S	.	.	H	α-helix	trans	-86.7	-9.3	-179.9	-65.3	178.7	0	0	0	113.1	I638 E640 I644	I638-L642 HydrophobicContact CG2-CD1 3.7Å; I638-L642 HydrophobicContact CG2-CG 4.36Å; I638-L642 VanDerWaalsContact O-CB 3.3Å; I638-L642 WeakPolarHBondContact O-CB 3.22Å; I638-L642 WeakPolarHBondContact O-CG 3.48Å; I638-L642 PolarHBondContact O-N 3.03Å; E640-L642 PolarHBondContact O-N 2.95Å; L642-I644 VanDerWaalsContact C-N 3.3Å; L642-I644 HydrophobicContact CB-CD1 4.06Å; L642-I644 HydrophobicContact CB-CG1 3.95Å; L642-I644 HydrophobicContact CB-CG2 4.25Å; L642-I644 HydrophobicContact CD1-CD1 3.93Å; L642-I644 PolarHBondContact O-N 3.29Å
643	I	92.4	Very high	89.9	Confident	158 Å²	158	78.5 Å²	78.5	81%	0.81	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	47.7	-176.2	-46.8	168.9	0	0	0	110	A639 E640	A639-I643 WeakPolarHBondContact O-CA 3.43Å; A639-I643 PolarHBondContact O-N 2.88Å; E640-I643 PolarHBondContact O-N 3.13Å
644	I	93.1	Very high	90	Very high	53 Å²	53	75.8 Å²	75.8	27%	0.272	39%	0.388	S	S	.	.			trans	-122.8	154	177.6	63.9	179.5	0	0	0	111.1	A639 L642 Q648 V649	A639-I644 WeakPolarHBondContact CB-O 3.34Å; A639-I644 PolarHBondContact O-N 2.84Å; L642-I644 VanDerWaalsContact C-N 3.3Å; L642-I644 HydrophobicContact CB-CD1 4.06Å; L642-I644 HydrophobicContact CB-CG1 3.95Å; L642-I644 HydrophobicContact CB-CG2 4.25Å; L642-I644 HydrophobicContact CD1-CD1 3.93Å; L642-I644 PolarHBondContact O-N 3.29Å; I644-Q648 HydrophobicContact CD1-CB 4.3Å; I644-V649 HydrophobicContact CD1-CG2 3.95Å; I644-V649 HydrophobicContact CG1-CG2 4.14Å
645	P	91.4	Very high	90	Very high	73 Å²	73	81.5 Å²	81.5	47%	0.474	41%	0.413	S	S	.	.			trans	-60.8	142.8	173.5	-21.8	32.8	0	0	0	112.3	S647 Q648	P645-S647 PolarHBondContact O-N 2.91Å; P645-Q648 WeakPolarHBondContact O-CB 3.32Å; P645-Q648 PolarHBondContact O-N 3.45Å
646	L	86.7	Confident	90.2	Very high	103 Å²	103	80.2 Å²	80.2	54%	0.539	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-48.7	-37	177.8	-74.6	166.5	0	0	0	113.4	E636 A639 Q648 V649	E636-L646 HydrophobicContact CB-CD2 4.36Å; E636-L646 HydrophobicContact CG-CD2 4.05Å; A639-L646 HydrophobicContact CB-CD2 3.75Å; A639-L646 HydrophobicContact CB-CG 4.26Å; L646-Q648 PolarHBondContact O-N 2.75Å; L646-Q648 VanDerWaalsContact O-N 3.16Å; L646-V649 PolarHBondContact O-N 2.6Å; L646-V649 VanDerWaalsContact O-N 3.17Å
647	S	89.1	Confident	90.5	Very high	113 Å²	113	76.9 Å²	76.9	79%	0.79	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-65.2	-16.3	-179.5	61.6	0	0	0	0	114.6	P645	P645-S647 PolarHBondContact O-N 2.91Å
648	Q	88.8	Confident	90.7	Very high	131 Å²	131	76.7 Å²	76.7	61%	0.612	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-93.9	-12.2	179.3	-62	-176.8	6.1	0	0	112.6	I644 P645 L646	I644-Q648 HydrophobicContact CD1-CB 4.3Å; P645-Q648 WeakPolarHBondContact O-CB 3.32Å; P645-Q648 PolarHBondContact O-N 3.45Å; L646-Q648 PolarHBondContact O-N 2.75Å; L646-Q648 VanDerWaalsContact O-N 3.16Å
649	V	89.6	Confident	91	Very high	14 Å²	14	76.4 Å²	76.4	9%	0.085	39%	0.389	C	S	.	.	S	Bend	trans	-78.1	128.9	176.6	-177.2	0	0	0	0	108.8	V635 I638 A639 I644 L646 P651	V635-V649 HydrophobicContact CB-CG1 4.28Å; V635-V649 HydrophobicContact CG1-CG1 3.99Å; I638-V649 HydrophobicContact CB-CG1 3.96Å; I638-V649 HydrophobicContact CB-CG2 4.44Å; I638-V649 HydrophobicContact CD1-CG1 4.13Å; I638-V649 HydrophobicContact CG2-CG1 3.77Å; I638-V649 HydrophobicContact CG2-CG2 4.11Å; A639-V649 HydrophobicContact CB-CG2 3.87Å; I644-V649 HydrophobicContact CD1-CG2 3.95Å; I644-V649 HydrophobicContact CG1-CG2 4.14Å; L646-V649 PolarHBondContact O-N 2.6Å; L646-V649 VanDerWaalsContact O-N 3.17Å; V649-P651 VanDerWaalsContact O-CD 3.28Å; V649-P651 WeakPolarHBondContact O-CD 3.43Å
650	N	88.4	Confident	91	Very high	78 Å²	78	78.8 Å²	78.8	42%	0.417	40%	0.399	S	S	.	.			trans	-74.4	119	171	179.4	4.6	0	0	0	109.1	R652 D653	N650-R652 PolarHBondContact O-N 3.07Å; N650-R652 WeakPolarHBondContact OD1-CB 3.43Å; N650-R652 WeakPolarHBondContact OD1-CG 3.39Å; N650-R652 PolarHBondContact OD1-N 2.72Å; N650-R652 VanDerWaalsContact OD1-N 3.14Å; N650-D653 PolarHBondContact O-N 3.18Å
651	P	87.1	Confident	91	Very high	67 Å²	67	71.6 Å²	71.6	44%	0.435	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.8	-179.2	-24	35.1	0	0	0	114.1	V635 V649 D653 H679	V635-P651 HydrophobicContact CG1-CB 4.3Å; V649-P651 VanDerWaalsContact O-CD 3.28Å; V649-P651 WeakPolarHBondContact O-CD 3.43Å; P651-D653 VanDerWaalsContact C-N 3.31Å; P651-H679 PolarHBondContact O-NE2 3Å
652	R	87.7	Confident	90.8	Very high	142 Å²	142	67.9 Å²	67.9	54%	0.536	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.4	177.4	-60.9	-67.1	129.7	151	-0.3	114	N650 A654 N678	N650-R652 PolarHBondContact O-N 3.07Å; N650-R652 WeakPolarHBondContact OD1-CB 3.43Å; N650-R652 WeakPolarHBondContact OD1-CG 3.39Å; N650-R652 PolarHBondContact OD1-N 2.72Å; N650-R652 VanDerWaalsContact OD1-N 3.14Å; R652-A654 VanDerWaalsContact C-N 3.31Å; R652-N678 VanDerWaalsContact CZ-ND2 3.28Å; R652-N678 PolarHBondContact NH1-ND2 3.11Å; R652-N678 PolarHBondContact NH1-OD1 3.3Å; R652-N678 VanDerWaalsContact NH2-CG 3.27Å; R652-N678 PolarHBondContact NH2-ND2 2.87Å
653	D	89.3	Confident	90.6	Very high	112 Å²	112	68.1 Å²	68.1	60%	0.599	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-25	-178.5	-60.3	-15.3	0	0	0	110.5	I638 N650 P651	I638-D653 HydrophobicContact CD1-CB 4.36Å; N650-D653 PolarHBondContact O-N 3.18Å; P651-D653 VanDerWaalsContact C-N 3.31Å
654	A	92	Very high	90.4	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.008	33%	0.328	C	S	.	.			trans	-84.7	117.9	174.2	0	0	0	0	0	111.1	V635 I638 R652 H679	V635-A654 HydrophobicContact CG1-CB 3.74Å; I638-A654 HydrophobicContact CD1-CB 3.95Å; R652-A654 VanDerWaalsContact C-N 3.31Å; A654-H679 PolarHBondContact O-CD2 3.17Å; A654-H679 VanDerWaalsContact O-CD2 3.29Å
655	K	92.5	Very high	89.9	Confident	122 Å²	122	64.7 Å²	64.7	53%	0.53	34%	0.341	S	S	.	.	S	Bend	trans	-80.8	-25.6	173.3	-70.5	-175.2	179.7	174.2	0	113	T680 E681	K655-T680 PolarHBondContact O-N 2.87Å; K655-T680 VanDerWaalsContact O-N 3.07Å; K655-E681 PolarHBondContact O-N 3.15Å
656	A	95	Very high	89.5	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.6	179.5	0	0	0	0	0	110.7	I628 N632 T634 E681	I628-A656 HydrophobicContact CG1-CB 4.46Å; I628-A656 HydrophobicContact CG2-CB 4.23Å; N632-A656 HydrophobicContact CB-CB 4.49Å; T634-A656 WeakPolarHBondContact CA-O 3.48Å; T634-A656 HydrophobicContact CG2-CB 4.08Å; A656-E681 CarbonylContact C-O 3.48Å; A656-E681 VanDerWaalsContact CA-O 3.23Å; A656-E681 WeakPolarHBondContact CA-O 3.36Å; A656-E681 HydrophobicContact CB-CB 4Å
657	C	94.8	Very high	89.6	Confident	9 Å²	9	65.3 Å²	65.3	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.2	170.5	65.2	0	0	0	0	111.2	E681 V683	C657-E681 PolarHBondContact N-O 3.07Å; C657-V683 PolarHBondContact O-N 3.42Å
658	V	95.2	Very high	89.6	Confident	26 Å²	26	62.8 Å²	62.8	16%	0.158	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120	171.1	-177.3	0	0	0	0	107.5	P615 K619 T634 V683 A685	P615-V658 HydrophobicContact CB-CG1 4.06Å; K619-V658 HydrophobicContact CB-CG2 4.19Å; K619-V658 HydrophobicContact CD-CG2 4.08Å; K619-V658 HydrophobicContact CG-CG2 4.1Å; T634-V658 HydrophobicContact CG2-CG2 4.14Å; V658-V683 CarbonylContact C-O 3.25Å; V658-V683 WeakPolarHBondContact CA-O 3.28Å; V658-V683 HydrophobicContact CG1-CG1 4.45Å; V658-V683 HydrophobicContact CG2-CB 4.28Å; V658-A685 HydrophobicContact CG1-CB 4.49Å
659	V	94.7	Very high	89.5	Confident	8 Å²	8	62.6 Å²	62.6	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.6	-176.6	-176.5	0	0	0	0	109	L664 M667 L675 V683 F684 A685	V659-L664 HydrophobicContact CG1-CB 4.37Å; V659-M667 HydrophobicContact CG1-CE 3.8Å; V659-M667 HydrophobicContact CG1-SD 4.41Å; V659-L675 HydrophobicContact CG2-CD1 3.57Å; V659-L675 HydrophobicContact CG2-CD2 4.17Å; V659-L675 HydrophobicContact CG2-CG 4.49Å; V659-V683 PolarHBondContact N-O 3.48Å; V659-F684 HydrophobicContact CB-CD1 3.6Å; V659-F684 HydrophobicContact CB-CE1 3.8Å; V659-F684 HydrophobicContact CG1-CD1 3.88Å; V659-F684 HydrophobicContact CG1-CE1 3.92Å; V659-F684 HydrophobicContact CG2-CD1 4.2Å; V659-F684 HydrophobicContact CG2-CE1 3.95Å; V659-F684 WeakPolarHBondContact O-CA 3.3Å; V659-A685 PolarHBondContact O-N 3.39Å
660	H	92.2	Very high	89.4	Confident	59 Å²	59	69.1 Å²	69.1	27%	0.273	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	142.8	175.6	-166.7	-92.8	0	0	0	111	S662 D663 L664 A685 R686	H660-S662 PolarHBondContact CE1-OG 2.86Å; H660-S662 VanDerWaalsContact ND1-CB 3.33Å; H660-S662 WeakPolarHBondContact ND1-CB 3.3Å; H660-S662 PolarHBondContact ND1-N 3.28Å; H660-S662 PolarHBondContact ND1-OG 3.45Å; H660-S662 VanDerWaalsContact ND1-OG 3.07Å; H660-S662 PolarHBondContact O-N 2.92Å; H660-D663 WeakPolarHBondContact CB-OD2 3.47Å; H660-D663 PolarHBondContact O-N 3.18Å; H660-L664 PolarHBondContact O-N 2.71Å; H660-A685 CarbonylContact C-O 3.55Å; H660-R686 WeakPolarHBondContact NE2-CB 3.43Å
661	G	88.3	Confident	89.4	Confident	2 Å²	2	71.6 Å²	71.6	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-58	-32.8	178.7	0	0	0	0	0	114	L664 K665 A685 R686 Q691	G661-L664 PolarHBondContact O-N 3.29Å; G661-K665 PolarHBondContact O-N 3.02Å; G661-K665 VanDerWaalsContact O-N 3.14Å; G661-A685 PolarHBondContact N-O 2.88Å; G661-R686 WeakPolarHBondContact CA-O 3.38Å; G661-Q691 PolarHBondContact O-NE2 3.14Å
662	S	86.3	Confident	89.6	Confident	66 Å²	66	68.6 Å²	68.6	46%	0.462	33%	0.331	S	S	.	.	H	α-helix	trans	-62.7	-40.5	174	-52.6	0	0	0	0	112.6	H660 K665	H660-S662 PolarHBondContact CE1-OG 2.86Å; H660-S662 VanDerWaalsContact ND1-CB 3.33Å; H660-S662 WeakPolarHBondContact ND1-CB 3.3Å; H660-S662 PolarHBondContact ND1-N 3.28Å; H660-S662 PolarHBondContact ND1-OG 3.45Å; H660-S662 VanDerWaalsContact ND1-OG 3.07Å; H660-S662 PolarHBondContact O-N 2.92Å; S662-K665 WeakPolarHBondContact O-CB 3.23Å; S662-K665 PolarHBondContact O-N 3.17Å
663	D	88.7	Confident	89.7	Confident	94 Å²	94	62.8 Å²	62.8	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-71.5	-40.6	178.9	-54.8	-34.7	0	0	0	109.9	H660 K665 D666 M667	H660-D663 WeakPolarHBondContact CB-OD2 3.47Å; H660-D663 PolarHBondContact O-N 3.18Å; D663-K665 PolarHBondContact O-N 2.66Å; D663-D666 PolarHBondContact O-N 3.04Å; D663-D666 VanDerWaalsContact O-N 3.11Å; D663-M667 HydrophobicContact CB-CE 3.84Å; D663-M667 WeakPolarHBondContact O-CG 3.47Å; D663-M667 PolarHBondContact O-N 3.3Å
664	L	88.3	Confident	89.7	Confident	13 Å²	13	61 Å²	61	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-30.9	178.4	-173.6	65.3	0	0	0	112.8	V659 H660 G661 D666 M667 L672 F684 T687 Q691 I695	V659-L664 HydrophobicContact CG1-CB 4.37Å; H660-L664 PolarHBondContact O-N 2.71Å; G661-L664 PolarHBondContact O-N 3.29Å; L664-D666 VanDerWaalsContact C-N 3.29Å; L664-D666 PolarHBondContact O-N 2.82Å; L664-M667 HydrophobicContact CD1-SD 3.98Å; L664-M667 PolarHBondContact O-N 3.1Å; L664-L672 HydrophobicContact CD1-CD1 3.89Å; L664-L672 HydrophobicContact CD1-CD2 4.45Å; L664-F684 HydrophobicContact CD1-CD1 4.49Å; L664-F684 HydrophobicContact CD1-CE1 4.06Å; L664-F684 HydrophobicContact CD2-CD1 4.17Å; L664-F684 HydrophobicContact CD2-CE1 4.48Å; L664-T687 HydrophobicContact CD2-CG2 4.4Å; L664-Q691 HydrophobicContact CD2-CB 3.89Å; L664-Q691 HydrophobicContact CD2-CG 4.06Å; L664-I695 HydrophobicContact CD2-CD1 3.81Å; L664-I695 HydrophobicContact CD2-CG1 3.97Å
665	K	81.8	Confident	89.7	Confident	125 Å²	125	61.6 Å²	61.6	54%	0.543	30%	0.304	S	S	.	.	H	α-helix	trans	-62.4	-36.2	177.7	-179.3	175.1	174.6	166	0	112.9	E33 G661 S662 D663	E33-K665 WeakPolarHBondContact OE2-CE 3.42Å; E33-K665 IonicContact OE2-NZ 3.41Å; E33-K665 PolarHBondContact OE2-NZ 3.36Å; G661-K665 PolarHBondContact O-N 3.02Å; G661-K665 VanDerWaalsContact O-N 3.14Å; S662-K665 WeakPolarHBondContact O-CB 3.23Å; S662-K665 PolarHBondContact O-N 3.17Å; D663-K665 PolarHBondContact O-N 2.66Å
666	D	84.2	Confident	89.7	Confident	142 Å²	142	55.9 Å²	55.9	76%	0.759	28%	0.279	S	S	*	.	H	α-helix	trans	-93.1	-3.8	-177.6	-63.7	-31.4	0	0	0	112.4	D663 L664	D663-D666 PolarHBondContact O-N 3.04Å; D663-D666 VanDerWaalsContact O-N 3.11Å; L664-D666 VanDerWaalsContact C-N 3.29Å; L664-D666 PolarHBondContact O-N 2.82Å
667	M	87.3	Confident	89.4	Confident	48 Å²	48	62.1 Å²	62.1	24%	0.236	30%	0.303	C	S	.	.			trans	-76.3	138.6	178.7	-71.4	178.5	-167.7	0	0	112.4	V659 D663 L664 Y671	V659-M667 HydrophobicContact CG1-CE 3.8Å; V659-M667 HydrophobicContact CG1-SD 4.41Å; D663-M667 HydrophobicContact CB-CE 3.84Å; D663-M667 WeakPolarHBondContact O-CG 3.47Å; D663-M667 PolarHBondContact O-N 3.3Å; L664-M667 HydrophobicContact CD1-SD 3.98Å; L664-M667 PolarHBondContact O-N 3.1Å; M667-Y671 HydrophobicContact CB-CD1 4.26Å; M667-Y671 HydrophobicContact CE-CD1 4.39Å; M667-Y671 HydrophobicContact CE-CE1 3.96Å; M667-Y671 HydrophobicContact CG-CD1 3.72Å; M667-Y671 HydrophobicContact CG-CE1 4.16Å; M667-Y671 HydrophobicContact SD-CD1 3.7Å; M667-Y671 HydrophobicContact SD-CE1 3.86Å
668	S	89.2	Confident	89.2	Confident	59 Å²	59	64.6 Å²	64.6	41%	0.413	32%	0.315	S	S	.	.			trans	-74.5	156	166.5	73.8	0	0	0	0	111.1	E670 Y671 L672	S668-E670 PolarHBondContact O-N 2.98Å; S668-Y671 PolarHBondContact O-N 3.35Å; S668-Y671 VanDerWaalsContact O-N 3.16Å; S668-Y671 PolarHBondContact OG-N 3.18Å; S668-L672 PolarHBondContact O-N 3.14Å; S668-L672 VanDerWaalsContact O-N 3.09Å
669	Y	86.8	Confident	89.1	Confident	128 Å²	128	64.1 Å²	64.1	50%	0.502	31%	0.311	S	S	.	.	H	α-helix	trans	-58.1	-33.5	175.6	-66.2	-61.5	0	0	0	112.8	L672 D673 I694	Y669-L672 PolarHBondContact O-N 3.16Å; Y669-D673 WeakPolarHBondContact O-CB 3.43Å; Y669-D673 PolarHBondContact O-N 3.46Å; Y669-I694 HydrophobicContact CD1-CG2 4.4Å; Y669-I694 HydrophobicContact CE1-CG2 3.92Å
670	E	87.7	Confident	88.9	Confident	150 Å²	150	67.5 Å²	67.5	70%	0.701	33%	0.332	S	S	*	.	H	α-helix	trans	-66.8	-41.7	178.2	-66.7	153	179.7	0	0	111.6	S668 D673 D674	S668-E670 PolarHBondContact O-N 2.98Å; E670-D673 PolarHBondContact O-N 3.3Å; E670-D674 PolarHBondContact O-N 3.07Å
671	Y	89.1	Confident	89.1	Confident	131 Å²	131	64.9 Å²	64.9	51%	0.514	32%	0.32	S	S	.	.	H	α-helix	trans	-67.4	-40.4	177.4	-172.9	-95.9	0	0	0	111.7	M667 S668 D673 D674 L675	M667-Y671 HydrophobicContact CB-CD1 4.26Å; M667-Y671 HydrophobicContact CE-CD1 4.39Å; M667-Y671 HydrophobicContact CE-CE1 3.96Å; M667-Y671 HydrophobicContact CG-CD1 3.72Å; M667-Y671 HydrophobicContact CG-CE1 4.16Å; M667-Y671 HydrophobicContact SD-CD1 3.7Å; M667-Y671 HydrophobicContact SD-CE1 3.86Å; S668-Y671 PolarHBondContact O-N 3.35Å; S668-Y671 VanDerWaalsContact O-N 3.16Å; S668-Y671 PolarHBondContact OG-N 3.18Å; Y671-D673 VanDerWaalsContact C-N 3.35Å; Y671-D674 PolarHBondContact O-N 3.25Å; Y671-L675 PolarHBondContact O-N 2.99Å
672	L	90.8	Very high	89.5	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-45.8	173.2	178.8	60.5	0	0	0	111.1	L664 S668 Y669 D674 L675 L676 F684 I694	L664-L672 HydrophobicContact CD1-CD1 3.89Å; L664-L672 HydrophobicContact CD1-CD2 4.45Å; S668-L672 PolarHBondContact O-N 3.14Å; S668-L672 VanDerWaalsContact O-N 3.09Å; Y669-L672 PolarHBondContact O-N 3.16Å; L672-D674 VanDerWaalsContact C-N 3.28Å; L672-D674 PolarHBondContact O-N 3.38Å; L672-L675 PolarHBondContact O-N 3.03Å; L672-L676 HydrophobicContact CD1-CD1 4.34Å; L672-L676 HydrophobicContact CD1-CG 4.18Å; L672-L676 HydrophobicContact CG-CD1 4.13Å; L672-L676 HydrophobicContact CG-CG 4.4Å; L672-L676 WeakPolarHBondContact O-CB 3.39Å; L672-L676 VanDerWaalsContact O-CG 3.25Å; L672-L676 WeakPolarHBondContact O-CG 3.44Å; L672-L676 PolarHBondContact O-N 2.99Å; L672-F684 HydrophobicContact CD1-CE1 4.02Å; L672-F684 HydrophobicContact CD1-CZ 3.8Å; L672-I694 HydrophobicContact CD2-CG2 3.94Å
673	D	90.1	Very high	90	Very high	20 Å²	20	61.6 Å²	61.6	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-37.8	178.3	-71.6	1.8	0	0	0	111.5	Y669 E670 Y671 R677 R701	Y669-D673 WeakPolarHBondContact O-CB 3.43Å; Y669-D673 PolarHBondContact O-N 3.46Å; E670-D673 PolarHBondContact O-N 3.3Å; Y671-D673 VanDerWaalsContact C-N 3.35Å; D673-R677 VanDerWaalsContact O-CG 3.26Å; D673-R677 WeakPolarHBondContact O-CG 3.37Å; D673-R677 PolarHBondContact O-N 2.86Å; D673-R677 VanDerWaalsContact O-N 3.17Å; D673-R701 IonicContact OD1-CZ 2.67Å; D673-R701 IonicContact OD1-NE 3.85Å; D673-R701 IonicContact OD1-NH2 3.86Å; D673-R701 PolarHBondContact OD1-NH2 3.45Å; D673-R701 IonicContact OD2-NE 2.76Å
674	D	89.7	Confident	90.4	Very high	75 Å²	75	57.1 Å²	57.1	40%	0.401	27%	0.273	S	S	.	.	H	α-helix	trans	-66.2	-45.3	172.8	-85.4	-13.5	0	0	0	111.8	E670 Y671 L672 L676 R677 N678	E670-D674 PolarHBondContact O-N 3.07Å; Y671-D674 PolarHBondContact O-N 3.25Å; L672-D674 VanDerWaalsContact C-N 3.28Å; L672-D674 PolarHBondContact O-N 3.38Å; D674-L676 VanDerWaalsContact C-N 3.3Å; D674-L676 PolarHBondContact O-N 3.01Å; D674-R677 PolarHBondContact O-N 2.65Å; D674-N678 WeakPolarHBondContact O-CB 3.29Å; D674-N678 PolarHBondContact O-N 3.15Å; D674-N678 VanDerWaalsContact O-N 3.1Å; D674-N678 PolarHBondContact O-ND2 3.44Å
675	L	91.4	Very high	90.6	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.073	27%	0.27	C	S	.	.	H	α-helix	trans	-56.8	-47.1	176.9	-173.5	150.9	0	0	0	111.1	V659 Y671 L672 R677 N678 H679 I682 F684	V659-L675 HydrophobicContact CG2-CD1 3.57Å; V659-L675 HydrophobicContact CG2-CD2 4.17Å; V659-L675 HydrophobicContact CG2-CG 4.49Å; Y671-L675 PolarHBondContact O-N 2.99Å; L672-L675 PolarHBondContact O-N 3.03Å; L675-R677 VanDerWaalsContact C-N 3.29Å; L675-R677 PolarHBondContact O-N 3.45Å; L675-N678 PolarHBondContact O-N 3.38Å; L675-H679 PolarHBondContact O-N 3.48Å; L675-H679 PolarHBondContact O-ND1 3.36Å; L675-H679 VanDerWaalsContact O-ND1 3.16Å; L675-I682 HydrophobicContact CD2-CD1 4.19Å; L675-I682 HydrophobicContact CD2-CG2 4.12Å; L675-F684 HydrophobicContact CD2-CZ 4.06Å
676	L	92.1	Very high	91	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-28	180	-67.1	175.1	0	0	0	113.3	K606 I608 L672 D674 I682 F684 Q702	K606-L676 PolarHBondContact NZ-O 2.91Å; I608-L676 HydrophobicContact CD1-CD2 4.16Å; L672-L676 HydrophobicContact CD1-CD1 4.34Å; L672-L676 HydrophobicContact CD1-CG 4.18Å; L672-L676 HydrophobicContact CG-CD1 4.13Å; L672-L676 HydrophobicContact CG-CG 4.4Å; L672-L676 WeakPolarHBondContact O-CB 3.39Å; L672-L676 VanDerWaalsContact O-CG 3.25Å; L672-L676 WeakPolarHBondContact O-CG 3.44Å; L672-L676 PolarHBondContact O-N 2.99Å; D674-L676 VanDerWaalsContact C-N 3.3Å; D674-L676 PolarHBondContact O-N 3.01Å; L676-I682 HydrophobicContact CD2-CD1 3.91Å; L676-F684 HydrophobicContact CD2-CE2 4.06Å; L676-F684 HydrophobicContact CD2-CZ 4.05Å; L676-Q702 VanDerWaalsContact CB-NE2 3.34Å; L676-Q702 PolarHBondContact O-NE2 2.55Å
677	R	89.3	Confident	91.3	Very high	132 Å²	132	48 Å²	48	50%	0.498	23%	0.225	S	C	.	.	H	α-helix	trans	-78.9	-35.6	176.8	-74.7	173.4	-150.4	-179.9	6.5	112.7	D673 D674 L675	D673-R677 VanDerWaalsContact O-CG 3.26Å; D673-R677 WeakPolarHBondContact O-CG 3.37Å; D673-R677 PolarHBondContact O-N 2.86Å; D673-R677 VanDerWaalsContact O-N 3.17Å; D674-R677 PolarHBondContact O-N 2.65Å; L675-R677 VanDerWaalsContact C-N 3.29Å; L675-R677 PolarHBondContact O-N 3.45Å
678	N	90.1	Very high	91.3	Very high	60 Å²	60	46.2 Å²	46.2	32%	0.321	22%	0.217	S	C	.	.	H	α-helix	trans	-97	-23.6	-162.8	-62.6	-49.4	0	0	0	113.6	R652 D674 L675	R652-N678 VanDerWaalsContact CZ-ND2 3.28Å; R652-N678 PolarHBondContact NH1-ND2 3.11Å; R652-N678 PolarHBondContact NH1-OD1 3.3Å; R652-N678 VanDerWaalsContact NH2-CG 3.27Å; R652-N678 PolarHBondContact NH2-ND2 2.87Å; D674-N678 WeakPolarHBondContact O-CB 3.29Å; D674-N678 PolarHBondContact O-N 3.15Å; D674-N678 VanDerWaalsContact O-N 3.1Å; D674-N678 PolarHBondContact O-ND2 3.44Å; L675-N678 PolarHBondContact O-N 3.38Å
679	H	92.6	Very high	91.1	Very high	16 Å²	16	43.7 Å²	43.7	7%	0.074	20%	0.199	C	C	.	.			trans	-105.9	131.2	174.4	-55.4	87.4	0	0	0	109.7	K606 P651 A654 L675 I682	K606-H679 PolarHBondContact NZ-O 2.86Å; P651-H679 PolarHBondContact O-NE2 3Å; A654-H679 PolarHBondContact O-CD2 3.17Å; A654-H679 VanDerWaalsContact O-CD2 3.29Å; L675-H679 PolarHBondContact O-N 3.48Å; L675-H679 PolarHBondContact O-ND1 3.36Å; L675-H679 VanDerWaalsContact O-ND1 3.16Å; H679-I682 HydrophobicContact CB-CD1 4.28Å; H679-I682 HydrophobicContact CB-CG1 3.87Å; H679-I682 WeakPolarHBondContact O-CD1 3.38Å
680	T	92.1	Very high	91	Very high	80 Å²	80	38.1 Å²	38.1	49%	0.491	18%	0.178	S	C	.	.	S	Bend	trans	-85.3	-29.1	178.9	51.1	0	0	0	0	112.2	K606 K655	K606-T680 VanDerWaalsContact CE-O 3.3Å; K606-T680 WeakPolarHBondContact CE-O 3.26Å; K655-T680 PolarHBondContact O-N 2.87Å; K655-T680 VanDerWaalsContact O-N 3.07Å
681	E	95.9	Very high	91.2	Very high	3 Å²	3	31.5 Å²	31.5	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.3	-175.7	-59.4	-179.7	172.1	0	0	107.9	R601 I627 I628 S629 N632 K655 A656 C657	R601-E681 IonicContact CZ-OE1 2.77Å; R601-E681 IonicContact NH1-OE1 3.86Å; R601-E681 PolarHBondContact NH1-OE1 3.11Å; R601-E681 IonicContact NH2-OE1 3.09Å; R601-E681 PolarHBondContact NH2-OE1 3.16Å; I627-E681 WeakPolarHBondContact O-CG 3.46Å; I628-E681 WeakPolarHBondContact CA-OE2 3.26Å; I628-E681 HydrophobicContact CG1-CB 4.43Å; S629-E681 WeakPolarHBondContact CB-OE1 3.4Å; S629-E681 PolarHBondContact N-OE1 3.27Å; S629-E681 PolarHBondContact N-OE2 2.93Å; S629-E681 PolarHBondContact OG-OE1 3.49Å; N632-E681 WeakPolarHBondContact CB-OE2 3.3Å; N632-E681 PolarHBondContact ND2-OE1 2.99Å; N632-E681 PolarHBondContact ND2-OE2 2.86Å; K655-E681 PolarHBondContact O-N 3.15Å; A656-E681 CarbonylContact C-O 3.48Å; A656-E681 VanDerWaalsContact CA-O 3.23Å; A656-E681 WeakPolarHBondContact CA-O 3.36Å; A656-E681 HydrophobicContact CB-CB 4Å; C657-E681 PolarHBondContact N-O 3.07Å
682	I	96.3	Very high	91.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.8	-168.8	-55.9	166	0	0	0	109.4	I608 M609 L675 L676 H679 F684	I608-I682 HydrophobicContact CD1-CD1 4.37Å; I608-I682 HydrophobicContact CG1-CB 4.41Å; I608-I682 HydrophobicContact CG2-CB 4.18Å; I608-I682 HydrophobicContact CG2-CG2 4.26Å; M609-I682 PolarHBondContact N-O 2.72Å; M609-I682 VanDerWaalsContact N-O 3.14Å; L675-I682 HydrophobicContact CD2-CD1 4.19Å; L675-I682 HydrophobicContact CD2-CG2 4.12Å; L676-I682 HydrophobicContact CD2-CD1 3.91Å; H679-I682 HydrophobicContact CB-CD1 4.28Å; H679-I682 HydrophobicContact CB-CG1 3.87Å; H679-I682 WeakPolarHBondContact O-CD1 3.38Å; I682-F684 HydrophobicContact CG2-CD2 3.76Å; I682-F684 HydrophobicContact CG2-CE2 3.35Å; I682-F684 HydrophobicContact CG2-CZ 3.8Å
683	V	97.2	Very high	91.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.4	172.9	178.5	0	0	0	0	108	M609 A618 A622 I627 I628 C657 V658 V659	M609-V683 HydrophobicContact CB-CB 4.46Å; M609-V683 HydrophobicContact CB-CG1 4.2Å; M609-V683 HydrophobicContact CB-CG2 4.21Å; M609-V683 HydrophobicContact CG-CG1 4.38Å; M609-V683 HydrophobicContact SD-CG1 4.02Å; A618-V683 HydrophobicContact CB-CG1 3.83Å; A622-V683 HydrophobicContact CB-CG2 3.51Å; I627-V683 HydrophobicContact CG2-CG2 4.43Å; I628-V683 HydrophobicContact CD1-CG2 3.85Å; I628-V683 HydrophobicContact CG1-CG2 4.21Å; C657-V683 PolarHBondContact O-N 3.42Å; V658-V683 CarbonylContact C-O 3.25Å; V658-V683 WeakPolarHBondContact CA-O 3.28Å; V658-V683 HydrophobicContact CG1-CG1 4.45Å; V658-V683 HydrophobicContact CG2-CB 4.28Å; V659-V683 PolarHBondContact N-O 3.48Å
684	F	96.6	Very high	91.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.8	166.9	-66.1	-84.8	0	0	0	108.5	I608 M609 V610 T611 V659 L664 L672 L675 L676 I682 T687 I695	I608-F684 HydrophobicContact CG2-CD2 3.81Å; I608-F684 HydrophobicContact CG2-CE2 3.96Å; M609-F684 PolarHBondContact O-N 3.39Å; V610-F684 HydrophobicContact CG1-CB 4.49Å; V610-F684 HydrophobicContact CG2-CD2 4.3Å; T611-F684 PolarHBondContact N-O 3.01Å; V659-F684 HydrophobicContact CB-CD1 3.6Å; V659-F684 HydrophobicContact CB-CE1 3.8Å; V659-F684 HydrophobicContact CG1-CD1 3.88Å; V659-F684 HydrophobicContact CG1-CE1 3.92Å; V659-F684 HydrophobicContact CG2-CD1 4.2Å; V659-F684 HydrophobicContact CG2-CE1 3.95Å; V659-F684 WeakPolarHBondContact O-CA 3.3Å; L664-F684 HydrophobicContact CD1-CD1 4.49Å; L664-F684 HydrophobicContact CD1-CE1 4.06Å; L664-F684 HydrophobicContact CD2-CD1 4.17Å; L664-F684 HydrophobicContact CD2-CE1 4.48Å; L672-F684 HydrophobicContact CD1-CE1 4.02Å; L672-F684 HydrophobicContact CD1-CZ 3.8Å; L675-F684 HydrophobicContact CD2-CZ 4.06Å; L676-F684 HydrophobicContact CD2-CE2 4.06Å; L676-F684 HydrophobicContact CD2-CZ 4.05Å; I682-F684 HydrophobicContact CG2-CD2 3.76Å; I682-F684 HydrophobicContact CG2-CE2 3.35Å; I682-F684 HydrophobicContact CG2-CZ 3.8Å; F684-T687 HydrophobicContact CB-CG2 3.68Å; F684-I695 HydrophobicContact CB-CD1 3.78Å; F684-I695 HydrophobicContact CD1-CD1 3.81Å; F684-I695 HydrophobicContact CD1-CG1 4.28Å; F684-I695 HydrophobicContact CD2-CD1 3.8Å; F684-I695 HydrophobicContact CD2-CG1 4.24Å; F684-I695 HydrophobicContact CD2-CG2 4Å; F684-I695 HydrophobicContact CE1-CD1 4.34Å; F684-I695 HydrophobicContact CE1-CG1 4.31Å; F684-I695 HydrophobicContact CE2-CD1 4.3Å; F684-I695 HydrophobicContact CE2-CG1 4.24Å; F684-I695 HydrophobicContact CE2-CG2 3.77Å; F684-I695 HydrophobicContact CG-CD1 3.53Å; F684-I695 HydrophobicContact CG-CG1 4.26Å; F684-I695 HydrophobicContact CZ-CG1 4.29Å; F684-I695 HydrophobicContact CZ-CG2 4.42Å
685	A	93	Very high	91.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	157.6	-177.5	0	0	0	0	0	110.8	T611 P615 A618 V658 V659 H660 G661 T687	T611-A685 CarbonylContact O-C 3.53Å; T611-A685 WeakPolarHBondContact O-CA 3.46Å; P615-A685 HydrophobicContact CB-CB 4.11Å; P615-A685 HydrophobicContact CG-CB 3.94Å; A618-A685 HydrophobicContact CB-CB 4Å; V658-A685 HydrophobicContact CG1-CB 4.49Å; V659-A685 PolarHBondContact O-N 3.39Å; H660-A685 CarbonylContact C-O 3.55Å; G661-A685 PolarHBondContact N-O 2.88Å; A685-T687 PolarHBondContact O-N 2.97Å
686	R	89.3	Confident	91.8	Very high	77 Å²	77	22.1 Å²	22.1	29%	0.291	11%	0.105	S	C	.	.	S	Bend	trans	51.7	35.9	-175.5	-83.5	-75.1	-179.4	-143	-1.1	113.9	E216 T611 G612 D613 H660 G661	E216-R686 IonicContact OE1-CZ 3.76Å; E216-R686 IonicContact OE1-NE 3.68Å; E216-R686 IonicContact OE1-NH1 3.48Å; E216-R686 PolarHBondContact OE1-NH1 3.36Å; E216-R686 IonicContact OE1-NH2 2.74Å; E216-R686 PolarHBondContact OE1-NH2 3.32Å; E216-R686 IonicContact OE2-CZ 2.81Å; E216-R686 IonicContact OE2-NH1 2.79Å; E216-R686 PolarHBondContact OE2-NH1 2.99Å; E216-R686 IonicContact OE2-NH2 3.31Å; E216-R686 PolarHBondContact OE2-NH2 2.87Å; T611-R686 PolarHBondContact O-N 2.92Å; T611-R686 VanDerWaalsContact O-N 3.14Å; G612-R686 WeakPolarHBondContact O-CD 3.36Å; G612-R686 PolarHBondContact O-NH1 3.32Å; D613-R686 PolarHBondContact O-N 3.21Å; H660-R686 WeakPolarHBondContact NE2-CB 3.43Å; G661-R686 WeakPolarHBondContact CA-O 3.38Å
687	T	90.4	Very high	91.7	Very high	10 Å²	10	23.2 Å²	23.2	6%	0.061	11%	0.11	C	C	.	.			trans	-82.7	142.3	180	56.2	0	0	0	0	113.5	T611 L664 F684 A685 Q691 I695	T611-T687 VanDerWaalsContact C-OG1 3.25Å; T611-T687 PolarHBondContact O-N 3.35Å; T611-T687 PolarHBondContact O-OG1 3.21Å; L664-T687 HydrophobicContact CD2-CG2 4.4Å; F684-T687 HydrophobicContact CB-CG2 3.68Å; A685-T687 PolarHBondContact O-N 2.97Å; T687-Q691 VanDerWaalsContact CA-OE1 3.31Å; T687-I695 HydrophobicContact CG2-CD1 4.07Å
688	S	87.6	Confident	91.9	Very high	11 Å²	11	17 Å²	17	8%	0.077	9%	0.087	C	C	.	.			trans	-81.2	159.4	168.9	70.2	0	0	0	0	111.9	Q690 Q691 K692	S688-Q690 PolarHBondContact O-N 3.45Å; S688-Q691 WeakPolarHBondContact O-CA 3.34Å; S688-Q691 WeakPolarHBondContact O-CB 3.19Å; S688-Q691 PolarHBondContact O-N 2.87Å; S688-Q691 VanDerWaalsContact OG-CG 3.29Å; S688-Q691 WeakPolarHBondContact OG-CG 3.31Å; S688-Q691 PolarHBondContact OG-N 3.28Å; S688-K692 WeakPolarHBondContact O-CG 3.19Å; S688-K692 PolarHBondContact O-N 2.94Å
689	P	85.6	Confident	92	Very high	6 Å²	6	14.1 Å²	14.1	4%	0.039	7%	0.072	C	C	.	.	H	α-helix	trans	-51.4	-39.5	175.2	-27	33.8	0	0	0	113.6	I265 K692 L693 N716	I265-P689 HydrophobicContact CD1-CB 4.2Å; I265-P689 HydrophobicContact CD1-CG 3.77Å; I265-P689 HydrophobicContact CG1-CB 4.33Å; I265-P689 HydrophobicContact CG1-CG 4.42Å; I265-P689 HydrophobicContact CG2-CB 4.46Å; P689-K692 WeakPolarHBondContact O-CB 3.5Å; P689-K692 PolarHBondContact O-N 3.17Å; P689-L693 PolarHBondContact O-N 3.42Å; P689-N716 WeakPolarHBondContact CA-O 3.44Å; P689-N716 HydrophobicContact CB-CB 4.34Å; P689-N716 WeakPolarHBondContact CB-O 3.3Å; P689-N716 HydrophobicContact CG-CB 3.76Å
690	Q	84.9	Confident	91.9	Very high	11 Å²	11	14.1 Å²	14.1	5%	0.051	7%	0.072	C	C	.	.	H	α-helix	trans	-68.1	-39.1	177.5	-63.4	84.8	-12.6	0	0	111.6	K31 L268 S688 K692 L693 I694	K31-Q690 WeakPolarHBondContact O-CB 3.47Å; K31-Q690 WeakPolarHBondContact O-CG 3.44Å; L268-Q690 HydrophobicContact CD2-CG 4.39Å; S688-Q690 PolarHBondContact O-N 3.45Å; Q690-K692 VanDerWaalsContact C-N 3.33Å; Q690-L693 WeakPolarHBondContact O-CB 3.27Å; Q690-L693 PolarHBondContact O-N 3.22Å; Q690-I694 WeakPolarHBondContact O-CG1 3.46Å; Q690-I694 PolarHBondContact O-N 2.99Å
691	Q	90.4	Very high	91.7	Very high	11 Å²	11	14.8 Å²	14.8	5%	0.051	7%	0.065	C	C	.	.	H	α-helix	trans	-65.6	-36.7	175.2	-74.7	173.3	-17.9	0	0	111.9	G661 L664 T687 S688 L693 I694 I695	G661-Q691 PolarHBondContact O-NE2 3.14Å; L664-Q691 HydrophobicContact CD2-CB 3.89Å; L664-Q691 HydrophobicContact CD2-CG 4.06Å; T687-Q691 VanDerWaalsContact CA-OE1 3.31Å; S688-Q691 WeakPolarHBondContact O-CA 3.34Å; S688-Q691 WeakPolarHBondContact O-CB 3.19Å; S688-Q691 PolarHBondContact O-N 2.87Å; S688-Q691 VanDerWaalsContact OG-CG 3.29Å; S688-Q691 WeakPolarHBondContact OG-CG 3.31Å; S688-Q691 PolarHBondContact OG-N 3.28Å; Q691-L693 VanDerWaalsContact C-N 3.28Å; Q691-L693 PolarHBondContact O-N 3.17Å; Q691-I694 PolarHBondContact O-N 3.19Å; Q691-I694 VanDerWaalsContact O-N 3.12Å; Q691-I695 WeakPolarHBondContact O-CD1 3.46Å; Q691-I695 VanDerWaalsContact O-CG1 3.27Å; Q691-I695 WeakPolarHBondContact O-CG1 3.3Å; Q691-I695 PolarHBondContact O-N 2.81Å
692	K	93.1	Very high	90.7	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.017	7%	0.072	C	C	.	.	H	α-helix	trans	-56.7	-44.7	172.9	-54.7	-152.6	178.2	-167.6	0	111.3	D371 V610 S688 P689 Q690 I695 V696 N716 D717 A720	D371-K692 IonicContact OD1-NZ 3Å; D371-K692 PolarHBondContact OD1-NZ 3.4Å; V610-K692 HydrophobicContact CG1-CB 4Å; V610-K692 HydrophobicContact CG1-CD 3.9Å; V610-K692 HydrophobicContact CG1-CG 3.65Å; V610-K692 WeakPolarHBondContact O-CE 3.15Å; V610-K692 PolarHBondContact O-NZ 2.87Å; S688-K692 WeakPolarHBondContact O-CG 3.19Å; S688-K692 PolarHBondContact O-N 2.94Å; P689-K692 WeakPolarHBondContact O-CB 3.5Å; P689-K692 PolarHBondContact O-N 3.17Å; Q690-K692 VanDerWaalsContact C-N 3.33Å; K692-I695 PolarHBondContact O-N 2.95Å; K692-V696 WeakPolarHBondContact O-CG2 3.42Å; K692-V696 PolarHBondContact O-N 3.32Å; K692-V696 VanDerWaalsContact O-N 3.11Å; K692-N716 PolarHBondContact NZ-ND2 3.47Å; K692-D717 WeakPolarHBondContact CD-OD1 3.38Å; K692-D717 IonicContact NZ-OD1 3.42Å; K692-D717 PolarHBondContact NZ-OD1 2.87Å; K692-A720 HydrophobicContact CB-CB 3.9Å
693	L	91	Very high	88.7	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-60	-45.8	174	173.4	66	0	0	0	112.2	K31 L268 L272 P689 Q690 Q691 I695 V696 E697 P719 K723	K31-L693 HydrophobicContact CG-CD2 4.27Å; L268-L693 HydrophobicContact CD2-CD2 4.17Å; L272-L693 HydrophobicContact CD1-CD1 4Å; L272-L693 HydrophobicContact CD1-CD2 4.06Å; L272-L693 HydrophobicContact CD2-CD1 4.44Å; L272-L693 HydrophobicContact CD2-CD2 4.26Å; P689-L693 PolarHBondContact O-N 3.42Å; Q690-L693 WeakPolarHBondContact O-CB 3.27Å; Q690-L693 PolarHBondContact O-N 3.22Å; Q691-L693 VanDerWaalsContact C-N 3.28Å; Q691-L693 PolarHBondContact O-N 3.17Å; L693-I695 VanDerWaalsContact C-N 3.31Å; L693-I695 PolarHBondContact O-N 3.41Å; L693-V696 PolarHBondContact O-N 3.45Å; L693-E697 HydrophobicContact CD1-CG 4.37Å; L693-E697 WeakPolarHBondContact O-CG 3.42Å; L693-E697 PolarHBondContact O-N 2.88Å; L693-P719 HydrophobicContact CB-CB 4.27Å; L693-P719 HydrophobicContact CD2-CB 4.38Å; L693-K723 HydrophobicContact CD1-CB 3.25Å; L693-K723 HydrophobicContact CD1-CD 4.38Å; L693-K723 HydrophobicContact CD1-CG 3.45Å; L693-K723 VanDerWaalsContact CD1-CG 3.45Å
694	I	91.3	Very high	86.7	Confident	39 Å²	39	26.5 Å²	26.5	20%	0.2	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-40.4	179.1	-68.1	168.6	0	0	0	111.5	Y669 L672 Q690 Q691 E697 G698	Y669-I694 HydrophobicContact CD1-CG2 4.4Å; Y669-I694 HydrophobicContact CE1-CG2 3.92Å; L672-I694 HydrophobicContact CD2-CG2 3.94Å; Q690-I694 WeakPolarHBondContact O-CG1 3.46Å; Q690-I694 PolarHBondContact O-N 2.99Å; Q691-I694 PolarHBondContact O-N 3.19Å; Q691-I694 VanDerWaalsContact O-N 3.12Å; I694-E697 PolarHBondContact O-N 2.85Å; I694-G698 PolarHBondContact O-N 2.89Å
695	I	94	Very high	85.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-45	177.2	-67.4	159.8	0	0	0	110.6	V610 L664 F684 T687 Q691 K692 L693 G698 C699	V610-I695 HydrophobicContact CG1-CD1 3.67Å; V610-I695 HydrophobicContact CG2-CD1 4.41Å; V610-I695 HydrophobicContact CG2-CG2 4.03Å; L664-I695 HydrophobicContact CD2-CD1 3.81Å; L664-I695 HydrophobicContact CD2-CG1 3.97Å; F684-I695 HydrophobicContact CB-CD1 3.78Å; F684-I695 HydrophobicContact CD1-CD1 3.81Å; F684-I695 HydrophobicContact CD1-CG1 4.28Å; F684-I695 HydrophobicContact CD2-CD1 3.8Å; F684-I695 HydrophobicContact CD2-CG1 4.24Å; F684-I695 HydrophobicContact CD2-CG2 4Å; F684-I695 HydrophobicContact CE1-CD1 4.34Å; F684-I695 HydrophobicContact CE1-CG1 4.31Å; F684-I695 HydrophobicContact CE2-CD1 4.3Å; F684-I695 HydrophobicContact CE2-CG1 4.24Å; F684-I695 HydrophobicContact CE2-CG2 3.77Å; F684-I695 HydrophobicContact CG-CD1 3.53Å; F684-I695 HydrophobicContact CG-CG1 4.26Å; F684-I695 HydrophobicContact CZ-CG1 4.29Å; F684-I695 HydrophobicContact CZ-CG2 4.42Å; T687-I695 HydrophobicContact CG2-CD1 4.07Å; Q691-I695 WeakPolarHBondContact O-CD1 3.46Å; Q691-I695 VanDerWaalsContact O-CG1 3.27Å; Q691-I695 WeakPolarHBondContact O-CG1 3.3Å; Q691-I695 PolarHBondContact O-N 2.81Å; K692-I695 PolarHBondContact O-N 2.95Å; L693-I695 VanDerWaalsContact C-N 3.31Å; L693-I695 PolarHBondContact O-N 3.41Å; I695-G698 PolarHBondContact O-N 2.97Å; I695-C699 PolarHBondContact O-N 2.99Å; I695-C699 PolarHBondContact O-SG 3.38Å
696	V	94.1	Very high	85.4	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-61.7	-46.2	176.2	172.6	0	0	0	0	110.9	K692 L693 G698 C699 Q700 V708 V710 A720 K723	K692-V696 WeakPolarHBondContact O-CG2 3.42Å; K692-V696 PolarHBondContact O-N 3.32Å; K692-V696 VanDerWaalsContact O-N 3.11Å; L693-V696 PolarHBondContact O-N 3.45Å; V696-G698 VanDerWaalsContact C-N 3.28Å; V696-G698 PolarHBondContact O-N 2.97Å; V696-C699 PolarHBondContact O-N 3.35Å; V696-Q700 WeakPolarHBondContact O-CG 3.35Å; V696-Q700 PolarHBondContact O-N 2.79Å; V696-V708 HydrophobicContact CG1-CG1 4.18Å; V696-V710 HydrophobicContact CG1-CG2 4.36Å; V696-V710 HydrophobicContact CG2-CG2 3.48Å; V696-V710 VanDerWaalsContact CG2-CG2 3.48Å; V696-A720 HydrophobicContact CG2-CB 4.03Å; V696-K723 HydrophobicContact CG1-CG 4.42Å
697	E	91.7	Very high	85.6	Confident	25 Å²	25	24.6 Å²	24.6	12%	0.117	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-37.6	175.6	-70.4	-176.4	156.5	0	0	111.5	K31 L693 I694 Q700 R701 K723	K31-E697 VanDerWaalsContact NZ-CD 3.3Å; K31-E697 IonicContact NZ-OE1 3.32Å; K31-E697 PolarHBondContact NZ-OE1 3.34Å; K31-E697 IonicContact NZ-OE2 2.79Å; K31-E697 PolarHBondContact NZ-OE2 3.01Å; L693-E697 HydrophobicContact CD1-CG 4.37Å; L693-E697 WeakPolarHBondContact O-CG 3.42Å; L693-E697 PolarHBondContact O-N 2.88Å; I694-E697 PolarHBondContact O-N 2.85Å; E697-Q700 PolarHBondContact O-N 3.43Å; E697-R701 WeakPolarHBondContact O-CB 3.38Å; E697-R701 VanDerWaalsContact O-CG 3.28Å; E697-R701 WeakPolarHBondContact O-CG 3.48Å; E697-R701 PolarHBondContact O-N 2.59Å; E697-K723 HydrophobicContact CG-CD 4.49Å; E697-K723 HydrophobicContact CG-CG 3.98Å; E697-K723 WeakPolarHBondContact OE1-CE 3.25Å
698	G	91.8	Very high	85.9	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.9	-43.6	173.9	0	0	0	0	0	113.3	I694 I695 V696 Q700 R701 Q702	I694-G698 PolarHBondContact O-N 2.89Å; I695-G698 PolarHBondContact O-N 2.97Å; V696-G698 VanDerWaalsContact C-N 3.28Å; V696-G698 PolarHBondContact O-N 2.97Å; G698-Q700 PolarHBondContact O-N 2.77Å; G698-R701 VanDerWaalsContact CA-NH2 3.27Å; G698-R701 PolarHBondContact O-N 2.86Å; G698-Q702 PolarHBondContact O-N 3.45Å
699	C	92.7	Very high	86.4	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-44.1	174.8	-65.1	0	0	0	0	111.1	I695 V696 R701 Q702 A706 V708	I695-C699 PolarHBondContact O-N 2.99Å; I695-C699 PolarHBondContact O-SG 3.38Å; V696-C699 PolarHBondContact O-N 3.35Å; C699-R701 VanDerWaalsContact C-N 3.32Å; C699-R701 PolarHBondContact O-N 2.96Å; C699-Q702 WeakPolarHBondContact O-CB 3.39Å; C699-Q702 WeakPolarHBondContact O-CG 3.45Å; C699-Q702 PolarHBondContact O-N 2.94Å; C699-A706 WeakPolarHBondContact O-CB 3.42Å; C699-V708 HydrophobicContact CB-CG1 4.41Å; C699-V708 HydrophobicContact CB-CG2 3.53Å
700	Q	91.2	Very high	86.9	Confident	16 Å²	16	23.6 Å²	23.6	8%	0.075	13%	0.127	C	C	.	.	H	α-helix	trans	-64.7	-32.1	177.2	-70.7	175.2	-18.4	0	0	113.2	V696 E697 G698 V708 K723 D725	V696-Q700 WeakPolarHBondContact O-CG 3.35Å; V696-Q700 PolarHBondContact O-N 2.79Å; E697-Q700 PolarHBondContact O-N 3.43Å; G698-Q700 PolarHBondContact O-N 2.77Å; Q700-V708 HydrophobicContact CG-CB 4.23Å; Q700-V708 HydrophobicContact CG-CG2 3.74Å; Q700-K723 PolarHBondContact NE2-O 3.22Å; Q700-D725 PolarHBondContact NE2-OD2 2.92Å
701	R	88.1	Confident	87.5	Confident	93 Å²	93	23.2 Å²	23.2	35%	0.351	13%	0.125	S	C	.	.	H	α-helix	trans	-77.6	-13.6	179	-79	-168.3	-47.4	-91.4	-2.7	114.8	D673 E697 G698 C699	D673-R701 IonicContact OD1-CZ 2.67Å; D673-R701 IonicContact OD1-NE 3.85Å; D673-R701 IonicContact OD1-NH2 3.86Å; D673-R701 PolarHBondContact OD1-NH2 3.45Å; D673-R701 IonicContact OD2-NE 2.76Å; E697-R701 WeakPolarHBondContact O-CB 3.38Å; E697-R701 VanDerWaalsContact O-CG 3.28Å; E697-R701 WeakPolarHBondContact O-CG 3.48Å; E697-R701 PolarHBondContact O-N 2.59Å; G698-R701 VanDerWaalsContact CA-NH2 3.27Å; G698-R701 PolarHBondContact O-N 2.86Å; C699-R701 VanDerWaalsContact C-N 3.32Å; C699-R701 PolarHBondContact O-N 2.96Å
702	Q	75.5	Confident	87.6	Confident	34 Å²	34	22.7 Å²	22.7	16%	0.159	12%	0.122	C	C	.	.	S	Bend	trans	-49	148	178.5	-71.5	-166.7	-32.6	0	0	111.2	L676 G698 C699 Q704 G705	L676-Q702 VanDerWaalsContact CB-NE2 3.34Å; L676-Q702 PolarHBondContact O-NE2 2.55Å; G698-Q702 PolarHBondContact O-N 3.45Å; C699-Q702 WeakPolarHBondContact O-CB 3.39Å; C699-Q702 WeakPolarHBondContact O-CG 3.45Å; C699-Q702 PolarHBondContact O-N 2.94Å; Q702-Q704 PolarHBondContact O-N 2.94Å; Q702-G705 PolarHBondContact O-N 2.73Å
703	A	52.9	Low	87.4	Confident	74 Å²	74	23 Å²	23	61%	0.612	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.7	-169.4	0	0	0	0	0	114.8	K836	A703-K836 PolarHBondContact O-NZ 3.38Å
704	Q	56.2	Low	87	Confident	142 Å²	142	23.3 Å²	23.3	66%	0.664	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-13.6	177.4	-64.5	-175.8	-15.4	0	0	114.1	Q702 K836	Q702-Q704 PolarHBondContact O-N 2.94Å; Q704-K836 WeakPolarHBondContact O-CE 3.45Å
705	G	71.6	Confident	86.5	Confident	16 Å²	16	21.7 Å²	21.7	17%	0.165	12%	0.12	C	C	.	.			trans	67.3	62.7	-173.7	0	0	0	0	0	110.6	Q702	Q702-G705 PolarHBondContact O-N 2.73Å
706	A	89.3	Confident	86	Confident	8 Å²	8	21.8 Å²	21.8	7%	0.066	12%	0.12	C	C	.	.			trans	-58.2	142.8	-177.6	0	0	0	0	0	111.1	S366 C699 V708	S366-A706 WeakPolarHBondContact OG-CA 3.41Å; S366-A706 WeakPolarHBondContact OG-CB 3.49Å; C699-A706 WeakPolarHBondContact O-CB 3.42Å; A706-V708 HydrophobicContact CB-CG2 4.47Å
707	I	95	Very high	85.9	Confident	12 Å²	12	21.8 Å²	21.8	6%	0.062	12%	0.12	C	C	.	.			trans	-90.5	117.2	171.6	-54.6	-51.5	0	0	0	107.1	P278 T361 S364 S366 T367 D725 P835	P278-I707 HydrophobicContact CG-CD1 3.88Å; P278-I707 HydrophobicContact CG-CG1 4.21Å; P278-I707 HydrophobicContact CG-CG2 4.02Å; T361-I707 HydrophobicContact CG2-CG2 4.05Å; S364-I707 WeakPolarHBondContact O-CB 3.32Å; S366-I707 PolarHBondContact N-O 3.35Å; S366-I707 PolarHBondContact OG-N 3.22Å; S366-I707 VanDerWaalsContact OG-N 3.13Å; S366-I707 PolarHBondContact OG-O 3.49Å; T367-I707 PolarHBondContact N-O 3.49Å; I707-D725 HydrophobicContact CG2-CB 3.87Å; I707-P835 HydrophobicContact CD1-CG 4.32Å; I707-P835 HydrophobicContact CG1-CG 4.4Å
708	V	95.9	Very high	85.6	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.7	-170.2	-173.9	0	0	0	0	109.9	T367 V696 C699 Q700 A706 V710 D725 I726	T367-V708 WeakPolarHBondContact O-CA 3.22Å; V696-V708 HydrophobicContact CG1-CG1 4.18Å; C699-V708 HydrophobicContact CB-CG1 4.41Å; C699-V708 HydrophobicContact CB-CG2 3.53Å; Q700-V708 HydrophobicContact CG-CB 4.23Å; Q700-V708 HydrophobicContact CG-CG2 3.74Å; A706-V708 HydrophobicContact CB-CG2 4.47Å; V708-V710 HydrophobicContact CG1-CG2 4.46Å; V708-D725 PolarHBondContact N-OD2 2.92Å; V708-D725 PolarHBondContact O-N 3.01Å; V708-I726 PolarHBondContact O-N 2.95Å
709	A	97.1	Very high	85.4	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.008	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	139	166.5	0	0	0	0	0	109.7	L362 T365 T367 I368 C369 I726	L362-A709 HydrophobicContact CD1-CB 4.22Å; T365-A709 HydrophobicContact CG2-CB 3.58Å; T367-A709 PolarHBondContact O-N 3.17Å; I368-A709 CarbonylContact C-O 3.53Å; I368-A709 WeakPolarHBondContact CA-O 3.42Å; I368-A709 HydrophobicContact CG1-CB 4.19Å; C369-A709 PolarHBondContact N-O 3.36Å; A709-I726 VanDerWaalsContact CA-O 3.32Å; A709-I726 WeakPolarHBondContact CA-O 3.28Å; A709-I726 HydrophobicContact CB-CG2 3.47Å; A709-I726 VanDerWaalsContact CB-CG2 3.47Å
710	V	97.6	Very high	85.4	Confident	6 Å²	6	20.6 Å²	20.6	4%	0.036	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.3	172.6	175.8	0	0	0	0	109.4	C369 V696 V708 A720 L721 A724 I726 V728	C369-V710 HydrophobicContact CB-CG2 4.09Å; C369-V710 VanDerWaalsContact O-CA 3.27Å; C369-V710 WeakPolarHBondContact O-CA 3.28Å; V696-V710 HydrophobicContact CG1-CG2 4.36Å; V696-V710 HydrophobicContact CG2-CG2 3.48Å; V696-V710 VanDerWaalsContact CG2-CG2 3.48Å; V708-V710 HydrophobicContact CG1-CG2 4.46Å; V710-A720 HydrophobicContact CG1-CB 4.1Å; V710-A720 HydrophobicContact CG2-CB 4.47Å; V710-L721 HydrophobicContact CB-CD2 4.14Å; V710-L721 HydrophobicContact CG1-CD2 3.83Å; V710-L721 HydrophobicContact CG1-CG 4.07Å; V710-L721 VanDerWaalsContact O-CD2 3.31Å; V710-L721 WeakPolarHBondContact O-CD2 3.48Å; V710-A724 HydrophobicContact CB-CB 3.86Å; V710-A724 HydrophobicContact CG2-CB 3.54Å; V710-I726 PolarHBondContact N-O 2.81Å; V710-V728 PolarHBondContact O-N 3.31Å
711	T	96.6	Very high	85.4	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.9	174.7	51	0	0	0	0	109.4	I368 C369 S370 D371 V728 F751 I754	I368-T711 HydrophobicContact CG2-CG2 4.46Å; C369-T711 PolarHBondContact O-N 3.32Å; S370-T711 VanDerWaalsContact CA-OG1 3.25Å; S370-T711 WeakPolarHBondContact CA-OG1 3.38Å; S370-T711 WeakPolarHBondContact CB-OG1 3.24Å; S370-T711 PolarHBondContact OG-OG1 3.01Å; D371-T711 PolarHBondContact N-O 2.93Å; T711-V728 WeakPolarHBondContact CA-O 3.29Å; T711-V728 HydrophobicContact CG2-CB 3.76Å; T711-V728 HydrophobicContact CG2-CG1 4.2Å; T711-V728 HydrophobicContact CG2-CG2 4.24Å; T711-F751 HydrophobicContact CG2-CE2 4.36Å; T711-I754 HydrophobicContact CG2-CD1 3.45Å; T711-I754 VanDerWaalsContact CG2-CD1 3.45Å; T711-I754 HydrophobicContact CG2-CG1 4.31Å
712	G	93.6	Very high	85.4	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	165.9	-175.2	0	0	0	0	0	113.5	T375 D717 V728 A729 M730	T375-G712 VanDerWaalsContact OG1-CA 3.3Å; T375-G712 WeakPolarHBondContact OG1-CA 3.43Å; G712-D717 WeakPolarHBondContact CA-OD2 3.23Å; G712-V728 PolarHBondContact N-O 2.74Å; G712-V728 VanDerWaalsContact N-O 3.09Å; G712-A729 WeakPolarHBondContact O-CA 3.22Å; G712-M730 PolarHBondContact O-N 2.89Å
713	D	88.3	Confident	86.1	Confident	11 Å²	11	18.4 Å²	18.4	6%	0.059	11%	0.107	C	C	.	.			trans	-129.2	-37.3	-178.4	74.8	-41.8	0	0	0	111.3	G374 T375 D717 M730 G734 S735 S738	G374-D713 WeakPolarHBondContact CA-OD2 3.3Å; T375-D713 PolarHBondContact OG1-N 3.28Å; D713-D717 PolarHBondContact N-OD2 3.49Å; D713-D717 VanDerWaalsContact N-OD2 3.09Å; D713-M730 HydrophobicContact CB-CB 3.97Å; D713-M730 HydrophobicContact CB-CG 3.78Å; D713-G734 CarbonylContact O-C 3.49Å; D713-G734 WeakPolarHBondContact O-CA 3.44Å; D713-S735 PolarHBondContact O-N 3.29Å; D713-S735 PolarHBondContact O-OG 3.18Å; D713-S738 VanDerWaalsContact O-CB 3.29Å; D713-S738 WeakPolarHBondContact O-CB 3.42Å; D713-S738 PolarHBondContact O-OG 3.3Å
714	G	82.3	Confident	88.1	Confident	8 Å²	8	15.1 Å²	15.1	8%	0.082	8%	0.08	C	C	.	.	S	Bend	trans	-79.1	168.5	-176.5	0	0	0	0	0	114.9	N716 D717 S738	G714-N716 VanDerWaalsContact C-N 3.28Å; G714-N716 WeakPolarHBondContact CA-OD1 3.34Å; G714-D717 PolarHBondContact N-OD2 3.14Å; G714-D717 PolarHBondContact O-N 3.47Å; G714-S738 WeakPolarHBondContact O-CB 3.44Å
715	V	80.6	Confident	89.9	Confident	5 Å²	5	8.9 Å²	8.9	3%	0.03	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-71.3	-29.1	177.4	-177.8	0	0	0	0	111.2	S212 M262 I265 D717 S718 S735 V737	S212-V715 WeakPolarHBondContact O-CB 3.49Å; S212-V715 PolarHBondContact O-N 2.71Å; M262-V715 HydrophobicContact CE-CB 3.5Å; M262-V715 HydrophobicContact CE-CG1 3.48Å; M262-V715 VanDerWaalsContact CE-CG1 3.48Å; M262-V715 HydrophobicContact CE-CG2 3.58Å; M262-V715 HydrophobicContact SD-CB 4.15Å; M262-V715 HydrophobicContact SD-CG1 3.85Å; I265-V715 HydrophobicContact CG2-CG1 4.37Å; V715-D717 PolarHBondContact O-N 3.44Å; V715-S718 WeakPolarHBondContact O-CB 3.46Å; V715-S718 PolarHBondContact O-N 2.94Å; V715-S718 PolarHBondContact O-OG 3.17Å; V715-S735 WeakPolarHBondContact CG2-OG 3.41Å; V715-V737 HydrophobicContact CG1-CB 4.07Å; V715-V737 HydrophobicContact CG1-CG1 4.05Å; V715-V737 HydrophobicContact CG1-CG2 4.22Å; V715-V737 HydrophobicContact CG2-CB 4.09Å; V715-V737 HydrophobicContact CG2-CG2 4.09Å
716	N	84.5	Confident	91	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.005	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-53.8	-27.2	169.5	60.9	-32.1	0	0	0	113.9	S212 L213 P689 K692 G714	S212-N716 PolarHBondContact O-N 3.36Å; L213-N716 WeakPolarHBondContact O-CB 3.4Å; P689-N716 WeakPolarHBondContact CA-O 3.44Å; P689-N716 HydrophobicContact CB-CB 4.34Å; P689-N716 WeakPolarHBondContact CB-O 3.3Å; P689-N716 HydrophobicContact CG-CB 3.76Å; K692-N716 PolarHBondContact NZ-ND2 3.47Å; G714-N716 VanDerWaalsContact C-N 3.28Å; G714-N716 WeakPolarHBondContact CA-OD1 3.34Å
717	D	90.6	Very high	91.3	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.011	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-83.8	-16.4	178.5	-60.3	-37.9	0	0	0	113.2	K692 G712 D713 G714 V715 P719 A720 L721	K692-D717 WeakPolarHBondContact CD-OD1 3.38Å; K692-D717 IonicContact NZ-OD1 3.42Å; K692-D717 PolarHBondContact NZ-OD1 2.87Å; G712-D717 WeakPolarHBondContact CA-OD2 3.23Å; D713-D717 PolarHBondContact N-OD2 3.49Å; D713-D717 VanDerWaalsContact N-OD2 3.09Å; G714-D717 PolarHBondContact N-OD2 3.14Å; G714-D717 PolarHBondContact O-N 3.47Å; V715-D717 PolarHBondContact O-N 3.44Å; D717-P719 VanDerWaalsContact C-CD 3.49Å; D717-A720 PolarHBondContact O-N 3.31Å; D717-L721 HydrophobicContact CB-CD1 3.85Å; D717-L721 HydrophobicContact CB-CG 4.12Å; D717-L721 WeakPolarHBondContact O-CB 3.37Å; D717-L721 WeakPolarHBondContact O-CG 3.38Å; D717-L721 PolarHBondContact O-N 3.31Å
718	S	86.2	Confident	91.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.6	-39.7	-171.6	62.9	0	0	0	0	115	V715 K722	V715-S718 WeakPolarHBondContact O-CB 3.46Å; V715-S718 PolarHBondContact O-N 2.94Å; V715-S718 PolarHBondContact O-OG 3.17Å; S718-K722 WeakPolarHBondContact O-CB 3.37Å; S718-K722 PolarHBondContact O-N 3.02Å
719	P	87.8	Confident	91.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-68.6	-39.9	176.4	-18.1	34.1	0	0	0	112	I265 L268 L272 L693 D717 K722 K723	I265-P719 HydrophobicContact CG2-CG 3.84Å; L268-P719 HydrophobicContact CD2-CB 4.2Å; L268-P719 HydrophobicContact CD2-CG 4.32Å; L268-P719 HydrophobicContact CG-CB 4.44Å; L272-P719 HydrophobicContact CD1-CB 4.11Å; L693-P719 HydrophobicContact CB-CB 4.27Å; L693-P719 HydrophobicContact CD2-CB 4.38Å; D717-P719 VanDerWaalsContact C-CD 3.49Å; P719-K722 PolarHBondContact O-N 3.49Å; P719-K723 WeakPolarHBondContact O-CB 3.32Å; P719-K723 PolarHBondContact O-N 3.08Å; P719-K723 VanDerWaalsContact O-N 3.07Å
720	A	92.6	Very high	90.9	Very high	2 Å²	2	7.3 Å²	7.3	2%	0.017	4%	0.038	C	C	.	.	H	α-helix	trans	-67.3	-45.3	178.4	0	0	0	0	0	111.3	K692 V696 V710 D717 K722 K723 A724	K692-A720 HydrophobicContact CB-CB 3.9Å; V696-A720 HydrophobicContact CG2-CB 4.03Å; V710-A720 HydrophobicContact CG1-CB 4.1Å; V710-A720 HydrophobicContact CG2-CB 4.47Å; D717-A720 PolarHBondContact O-N 3.31Å; A720-K722 VanDerWaalsContact C-N 3.29Å; A720-K722 PolarHBondContact O-N 3.3Å; A720-K723 PolarHBondContact O-N 3.44Å; A720-A724 WeakPolarHBondContact O-CB 3.32Å; A720-A724 PolarHBondContact O-N 3.41Å
721	L	92	Very high	90.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-56.7	-42.2	174.6	-75.8	168.5	0	0	0	111.8	V710 D717 V728 A741 A742	V710-L721 HydrophobicContact CB-CD2 4.14Å; V710-L721 HydrophobicContact CG1-CD2 3.83Å; V710-L721 HydrophobicContact CG1-CG 4.07Å; V710-L721 VanDerWaalsContact O-CD2 3.31Å; V710-L721 WeakPolarHBondContact O-CD2 3.48Å; D717-L721 HydrophobicContact CB-CD1 3.85Å; D717-L721 HydrophobicContact CB-CG 4.12Å; D717-L721 WeakPolarHBondContact O-CB 3.37Å; D717-L721 WeakPolarHBondContact O-CG 3.38Å; D717-L721 PolarHBondContact O-N 3.31Å; L721-V728 WeakPolarHBondContact CD2-O 3.4Å; L721-A741 HydrophobicContact CB-CB 4.19Å; L721-A742 HydrophobicContact CD2-CB 4.38Å
722	K	87.8	Confident	89.8	Confident	53 Å²	53	13.6 Å²	13.6	23%	0.23	7%	0.074	C	C	.	.	H	α-helix	trans	-71.5	-36.9	-179.7	-168.3	67.8	169.3	170.2	0	113.2	A269 L272 V274 S718 P719 A720	A269-K722 WeakPolarHBondContact O-CG 3.32Å; L272-K722 HydrophobicContact CB-CG 4.25Å; V274-K722 HydrophobicContact CG2-CD 4.48Å; S718-K722 WeakPolarHBondContact O-CB 3.37Å; S718-K722 PolarHBondContact O-N 3.02Å; P719-K722 PolarHBondContact O-N 3.49Å; A720-K722 VanDerWaalsContact C-N 3.29Å; A720-K722 PolarHBondContact O-N 3.3Å
723	K	90.3	Very high	89.2	Confident	43 Å²	43	15.5 Å²	15.5	19%	0.187	9%	0.09	C	C	.	.	H	α-helix	trans	-80	-26.4	-177.8	-174.8	58.7	175.4	178.7	0	113.1	L693 V696 E697 Q700 P719 A720	L693-K723 HydrophobicContact CD1-CB 3.25Å; L693-K723 HydrophobicContact CD1-CD 4.38Å; L693-K723 HydrophobicContact CD1-CG 3.45Å; L693-K723 VanDerWaalsContact CD1-CG 3.45Å; V696-K723 HydrophobicContact CG1-CG 4.42Å; E697-K723 HydrophobicContact CG-CD 4.49Å; E697-K723 HydrophobicContact CG-CG 3.98Å; E697-K723 WeakPolarHBondContact OE1-CE 3.25Å; Q700-K723 PolarHBondContact NE2-O 3.22Å; P719-K723 WeakPolarHBondContact O-CB 3.32Å; P719-K723 PolarHBondContact O-N 3.08Å; P719-K723 VanDerWaalsContact O-N 3.07Å; A720-K723 PolarHBondContact O-N 3.44Å
724	A	94.2	Very high	88.9	Confident	6 Å²	6	15.2 Å²	15.2	5%	0.05	9%	0.09	C	C	.	.	S	Bend	trans	-51.4	154.1	174.7	0	0	0	0	0	111.3	V710 A720 I726	V710-A724 HydrophobicContact CB-CB 3.86Å; V710-A724 HydrophobicContact CG2-CB 3.54Å; A720-A724 WeakPolarHBondContact O-CB 3.32Å; A720-A724 PolarHBondContact O-N 3.41Å; A724-I726 WeakPolarHBondContact CB-O 3.42Å; A724-I726 PolarHBondContact O-N 2.72Å
725	D	94.1	Very high	88.6	Confident	11 Å²	11	16.1 Å²	16.1	6%	0.059	9%	0.094	C	C	.	.	S	Bend	trans	-68.4	-27.5	171.1	-54.5	-76.2	0	0	0	109.9	R275 T361 Q700 I707 V708	R275-D725 WeakPolarHBondContact CD-OD1 3.46Å; R275-D725 IonicContact CZ-OD1 2.71Å; R275-D725 IonicContact NE-OD1 3.56Å; R275-D725 IonicContact NH1-OD1 3.85Å; R275-D725 PolarHBondContact NH1-OD1 3.2Å; R275-D725 IonicContact NH1-OD2 2.72Å; T361-D725 HydrophobicContact CG2-CB 4.1Å; Q700-D725 PolarHBondContact NE2-OD2 2.92Å; I707-D725 HydrophobicContact CG2-CB 3.87Å; V708-D725 PolarHBondContact N-OD2 2.92Å; V708-D725 PolarHBondContact O-N 3.01Å
726	I	94.7	Very high	88.3	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	123.7	166	-175.8	175.7	0	0	0	111.5	A358 T361 L362 V708 A709 V710 A724 V728 D743 M744	A358-I726 HydrophobicContact CB-CD1 3.86Å; A358-I726 HydrophobicContact CB-CG1 4.11Å; A358-I726 VanDerWaalsContact O-CD1 3.29Å; A358-I726 WeakPolarHBondContact O-CD1 3.49Å; T361-I726 HydrophobicContact CG2-CB 3.75Å; T361-I726 HydrophobicContact CG2-CG2 3.87Å; L362-I726 HydrophobicContact CB-CD1 3.95Å; L362-I726 HydrophobicContact CD1-CD1 4.36Å; L362-I726 HydrophobicContact CD1-CG2 4.33Å; V708-I726 PolarHBondContact O-N 2.95Å; A709-I726 VanDerWaalsContact CA-O 3.32Å; A709-I726 WeakPolarHBondContact CA-O 3.28Å; A709-I726 HydrophobicContact CB-CG2 3.47Å; A709-I726 VanDerWaalsContact CB-CG2 3.47Å; V710-I726 PolarHBondContact N-O 2.81Å; A724-I726 WeakPolarHBondContact CB-O 3.42Å; A724-I726 PolarHBondContact O-N 2.72Å; I726-V728 HydrophobicContact CG1-CG2 4.42Å; I726-D743 HydrophobicContact CG1-CB 4.27Å; I726-M744 HydrophobicContact CD1-CE 3.65Å; I726-M744 HydrophobicContact CD1-SD 4.47Å
727	G	94.9	Very high	87.9	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.1	169.1	0	0	0	0	0	112.3	A742 D743 M744	G727-A742 WeakPolarHBondContact O-CB 3.49Å; G727-D743 PolarHBondContact N-OD2 3.32Å; G727-D743 PolarHBondContact O-N 3.1Å; G727-M744 PolarHBondContact O-N 2.94Å
728	V	96.1	Very high	87.5	Confident	2 Å²	2	22 Å²	22	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120	177.2	-175.9	0	0	0	0	109.4	V710 T711 G712 L721 I726 M744 L746	V710-V728 PolarHBondContact O-N 3.31Å; T711-V728 WeakPolarHBondContact CA-O 3.29Å; T711-V728 HydrophobicContact CG2-CB 3.76Å; T711-V728 HydrophobicContact CG2-CG1 4.2Å; T711-V728 HydrophobicContact CG2-CG2 4.24Å; G712-V728 PolarHBondContact N-O 2.74Å; G712-V728 VanDerWaalsContact N-O 3.09Å; L721-V728 WeakPolarHBondContact CD2-O 3.4Å; I726-V728 HydrophobicContact CG1-CG2 4.42Å; V728-M744 WeakPolarHBondContact CA-O 3.43Å; V728-M744 HydrophobicContact CG2-CB 4.3Å; V728-M744 HydrophobicContact CG2-SD 4.26Å; V728-L746 HydrophobicContact CG1-CD1 3.91Å; V728-L746 HydrophobicContact CG1-CD2 4.02Å; V728-L746 HydrophobicContact CG1-CG 3.72Å
729	A	93.3	Very high	87.3	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.9	179.3	0	0	0	0	0	113.1	G712 K739 A742 M744 I745 L746	G712-A729 WeakPolarHBondContact O-CA 3.22Å; A729-K739 HydrophobicContact CB-CG 4.18Å; A729-A742 HydrophobicContact CB-CB 3.55Å; A729-M744 PolarHBondContact N-O 3.49Å; A729-I745 CarbonylContact O-C 3.59Å; A729-I745 WeakPolarHBondContact O-CA 3.19Å; A729-L746 PolarHBondContact O-N 3.04Å
730	M	92.1	Very high	86.9	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	136	170.7	-54.5	-54.9	-85.4	0	0	110.5	T375 G712 D713 A733 G734 K739 L746 D749	T375-M730 HydrophobicContact CG2-SD 4.49Å; G712-M730 PolarHBondContact O-N 2.89Å; D713-M730 HydrophobicContact CB-CB 3.97Å; D713-M730 HydrophobicContact CB-CG 3.78Å; M730-A733 HydrophobicContact CB-CB 4.3Å; M730-G734 VanDerWaalsContact O-CA 3.29Å; M730-G734 WeakPolarHBondContact O-CA 3.37Å; M730-G734 PolarHBondContact O-N 2.76Å; M730-K739 WeakPolarHBondContact O-CE 3.43Å; M730-L746 HydrophobicContact SD-CD1 4.16Å; M730-D749 HydrophobicContact CE-CB 3.63Å; M730-D749 WeakPolarHBondContact CE-O 3.4Å
731	G	86.4	Confident	86.4	Confident	17 Å²	17	28 Å²	28	18%	0.175	16%	0.156	C	C	.	.	S	Bend	trans	-82	-31.8	-173.3	0	0	0	0	0	113.7	K739 L746 D749	G731-K739 VanDerWaalsContact C-CE 3.46Å; G731-K739 WeakPolarHBondContact O-CE 3.27Å; G731-K739 PolarHBondContact O-NZ 3.12Å; G731-L746 WeakPolarHBondContact CA-O 3.27Å; G731-L746 PolarHBondContact N-O 3.44Å; G731-D749 PolarHBondContact N-OD1 3.3Å
732	I	84.4	Confident	86.2	Confident	123 Å²	123	28 Å²	28	63%	0.631	16%	0.157	S	C	*	.	S	Bend	trans	-102.3	-61.2	-179	-51.9	172.6	0	0	0	109.2	G734 D749	I732-G734 VanDerWaalsContact C-N 3.27Å; I732-G734 PolarHBondContact O-N 3.16Å; I732-D749 WeakPolarHBondContact CB-OD2 3.36Å; I732-D749 PolarHBondContact N-OD1 3.36Å
733	A	80.1	Confident	86.3	Confident	39 Å²	39	26.9 Å²	26.9	32%	0.322	15%	0.153	S	C	.	.	S	Bend	trans	-66.6	-26.3	-180	0	0	0	0	0	113.6	M730 D749	M730-A733 HydrophobicContact CB-CB 4.3Å; A733-D749 VanDerWaalsContact CB-OD2 3.23Å; A733-D749 WeakPolarHBondContact CB-OD2 3.39Å; A733-D749 PolarHBondContact N-OD2 3.03Å
734	G	81.8	Confident	86.3	Confident	6 Å²	6	24.9 Å²	24.9	6%	0.062	14%	0.144	C	C	.	.	S	Bend	trans	-67.1	138.3	-174.7	0	0	0	0	0	114.1	D713 M730 I732 K739	D713-G734 CarbonylContact O-C 3.49Å; D713-G734 WeakPolarHBondContact O-CA 3.44Å; M730-G734 VanDerWaalsContact O-CA 3.29Å; M730-G734 WeakPolarHBondContact O-CA 3.37Å; M730-G734 PolarHBondContact O-N 2.76Å; I732-G734 VanDerWaalsContact C-N 3.27Å; I732-G734 PolarHBondContact O-N 3.16Å; G734-K739 WeakPolarHBondContact O-CE 3.48Å; G734-K739 PolarHBondContact O-NZ 3.39Å
735	S	77.3	Confident	86.2	Confident	26 Å²	26	24.9 Å²	24.9	18%	0.182	14%	0.144	C	C	.	.			trans	-62.3	156.6	167.6	70.6	0	0	0	0	112	D713 V715 V737 S738 K739	D713-S735 PolarHBondContact O-N 3.29Å; D713-S735 PolarHBondContact O-OG 3.18Å; V715-S735 WeakPolarHBondContact CG2-OG 3.41Å; S735-V737 PolarHBondContact O-N 3.02Å; S735-S738 PolarHBondContact N-OG 2.92Å; S735-S738 PolarHBondContact O-N 3.09Å; S735-S738 PolarHBondContact O-OG 3.05Å; S735-S738 PolarHBondContact OG-N 3.35Å; S735-S738 PolarHBondContact OG-OG 3.48Å; S735-K739 WeakPolarHBondContact O-CG 3.46Å; S735-K739 PolarHBondContact O-N 3.37Å; S735-K739 VanDerWaalsContact O-N 3.12Å
736	D	73.7	Confident	86.2	Confident	87 Å²	87	24.4 Å²	24.4	47%	0.465	14%	0.141	S	C	.	.	H	α-helix	trans	-63.6	-30.8	177.1	-64.6	-40.3	0	0	0	112.3	Q740	D736-Q740 WeakPolarHBondContact O-CB 3.25Å; D736-Q740 VanDerWaalsContact O-CG 3.23Å; D736-Q740 WeakPolarHBondContact O-CG 3.39Å; D736-Q740 PolarHBondContact O-N 2.83Å
737	V	75.6	Confident	85.9	Confident	46 Å²	46	28.1 Å²	28.1	28%	0.279	16%	0.16	S	C	.	.	H	α-helix	trans	-69.6	-43.2	178.8	-171.3	0	0	0	0	110.8	V715 S735 Q740 A741	V715-V737 HydrophobicContact CG1-CB 4.07Å; V715-V737 HydrophobicContact CG1-CG1 4.05Å; V715-V737 HydrophobicContact CG1-CG2 4.22Å; V715-V737 HydrophobicContact CG2-CB 4.09Å; V715-V737 HydrophobicContact CG2-CG2 4.09Å; S735-V737 PolarHBondContact O-N 3.02Å; V737-Q740 PolarHBondContact O-N 3.14Å; V737-A741 WeakPolarHBondContact O-CB 3.36Å; V737-A741 PolarHBondContact O-N 3.38Å
738	S	82.2	Confident	85.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-44.5	177.4	64.2	0	0	0	0	111.6	D713 G714 S735 Q740 A741 A742	D713-S738 VanDerWaalsContact O-CB 3.29Å; D713-S738 WeakPolarHBondContact O-CB 3.42Å; D713-S738 PolarHBondContact O-OG 3.3Å; G714-S738 WeakPolarHBondContact O-CB 3.44Å; S735-S738 PolarHBondContact N-OG 2.92Å; S735-S738 PolarHBondContact O-N 3.09Å; S735-S738 PolarHBondContact O-OG 3.05Å; S735-S738 PolarHBondContact OG-N 3.35Å; S735-S738 PolarHBondContact OG-OG 3.48Å; S738-Q740 VanDerWaalsContact C-N 3.27Å; S738-Q740 PolarHBondContact O-N 3.25Å; S738-A741 PolarHBondContact O-N 3.48Å; S738-A742 WeakPolarHBondContact O-CB 3.4Å; S738-A742 PolarHBondContact O-N 3.28Å
739	K	82.6	Confident	85.3	Confident	30 Å²	30	31 Å²	31	13%	0.13	18%	0.175	C	C	.	.	H	α-helix	trans	-59.1	-36.3	174.3	-69.4	166.2	177.6	162.6	0	112.7	K354 A729 M730 G731 G734 S735 I745	K354-K739 PolarHBondContact NZ-O 3.11Å; A729-K739 HydrophobicContact CB-CG 4.18Å; M730-K739 WeakPolarHBondContact O-CE 3.43Å; G731-K739 VanDerWaalsContact C-CE 3.46Å; G731-K739 WeakPolarHBondContact O-CE 3.27Å; G731-K739 PolarHBondContact O-NZ 3.12Å; G734-K739 WeakPolarHBondContact O-CE 3.48Å; G734-K739 PolarHBondContact O-NZ 3.39Å; S735-K739 WeakPolarHBondContact O-CG 3.46Å; S735-K739 PolarHBondContact O-N 3.37Å; S735-K739 VanDerWaalsContact O-N 3.12Å; K739-I745 HydrophobicContact CB-CD1 4.21Å
740	Q	78.4	Confident	85.1	Confident	87 Å²	87	33.7 Å²	33.7	41%	0.407	19%	0.19	S	C	.	.	H	α-helix	trans	-74.7	-37.9	176.2	-77.1	-177.6	19.8	0	0	112.9	K354 D736 V737 S738	K354-Q740 VanDerWaalsContact NZ-C 3.35Å; K354-Q740 PolarHBondContact NZ-O 3.2Å; D736-Q740 WeakPolarHBondContact O-CB 3.25Å; D736-Q740 VanDerWaalsContact O-CG 3.23Å; D736-Q740 WeakPolarHBondContact O-CG 3.39Å; D736-Q740 PolarHBondContact O-N 2.83Å; V737-Q740 PolarHBondContact O-N 3.14Å; S738-Q740 VanDerWaalsContact C-N 3.27Å; S738-Q740 PolarHBondContact O-N 3.25Å
741	A	81.9	Confident	84.9	Confident	10 Å²	10	33.7 Å²	33.7	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-70.2	-35.9	178.6	0	0	0	0	0	112.8	L721 V737 S738	L721-A741 HydrophobicContact CB-CB 4.19Å; V737-A741 WeakPolarHBondContact O-CB 3.36Å; V737-A741 PolarHBondContact O-N 3.38Å; S738-A741 PolarHBondContact O-N 3.48Å
742	A	89	Confident	85.1	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.008	19%	0.192	C	C	.	.			trans	-70.6	157.3	-177.8	0	0	0	0	0	114.2	K354 L721 G727 A729 S738	K354-A742 WeakPolarHBondContact CD-O 3.36Å; K354-A742 WeakPolarHBondContact CE-O 3.2Å; K354-A742 PolarHBondContact NZ-O 3.46Å; L721-A742 HydrophobicContact CD2-CB 4.38Å; G727-A742 WeakPolarHBondContact O-CB 3.49Å; A729-A742 HydrophobicContact CB-CB 3.55Å; S738-A742 WeakPolarHBondContact O-CB 3.4Å; S738-A742 PolarHBondContact O-N 3.28Å
743	D	89.6	Confident	85.5	Confident	28 Å²	28	28.6 Å²	28.6	15%	0.15	16%	0.164	C	C	.	.	S	Bend	trans	-94	-16.5	174.5	-55.6	-68.7	0	0	0	112.7	K354 N355 A358 I726 G727	K354-D743 WeakPolarHBondContact CA-O 3.36Å; K354-D743 VanDerWaalsContact CB-O 3.28Å; K354-D743 WeakPolarHBondContact CB-O 2.97Å; K354-D743 PolarHBondContact N-O 3.44Å; N355-D743 PolarHBondContact N-O 3.41Å; A358-D743 HydrophobicContact CB-CB 3.87Å; I726-D743 HydrophobicContact CG1-CB 4.27Å; G727-D743 PolarHBondContact N-OD2 3.32Å; G727-D743 PolarHBondContact O-N 3.1Å
744	M	90.9	Very high	86.2	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.6	-177.3	-171	-177.8	-73.3	0	0	110.2	C351 L352 V353 L362 I726 G727 V728 A729	C351-M744 PolarHBondContact SG-SD 3.34Å; L352-M744 CarbonylContact O-C 3.55Å; L352-M744 WeakPolarHBondContact O-CA 3.45Å; L352-M744 WeakPolarHBondContact O-CG 3.3Å; V353-M744 HydrophobicContact CG2-CE 4.05Å; V353-M744 HydrophobicContact CG2-CG 4.4Å; L362-M744 HydrophobicContact CD2-CE 3.94Å; L362-M744 HydrophobicContact CD2-SD 3.96Å; I726-M744 HydrophobicContact CD1-CE 3.65Å; I726-M744 HydrophobicContact CD1-SD 4.47Å; G727-M744 PolarHBondContact O-N 2.94Å; V728-M744 WeakPolarHBondContact CA-O 3.43Å; V728-M744 HydrophobicContact CG2-CB 4.3Å; V728-M744 HydrophobicContact CG2-SD 4.26Å; A729-M744 PolarHBondContact N-O 3.49Å
745	I	91.8	Very high	86.8	Confident	7 Å²	7	27.1 Å²	27.1	4%	0.036	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.8	-179.3	-56.8	174.9	0	0	0	109.3	M153 L352 K354 A729 K739 L747	M153-I745 HydrophobicContact CE-CD1 3.79Å; M153-I745 HydrophobicContact SD-CD1 4.05Å; L352-I745 HydrophobicContact CB-CB 4.42Å; L352-I745 PolarHBondContact N-O 3.45Å; L352-I745 PolarHBondContact O-N 3.34Å; K354-I745 HydrophobicContact CD-CD1 4Å; K354-I745 HydrophobicContact CD-CG1 4.25Å; A729-I745 CarbonylContact O-C 3.59Å; A729-I745 WeakPolarHBondContact O-CA 3.19Å; K739-I745 HydrophobicContact CB-CD1 4.21Å; I745-L747 HydrophobicContact CG2-CD2 4.1Å; I745-L747 PolarHBondContact O-N 3.39Å
746	L	93.5	Very high	87.6	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	98.3	174.3	-53.9	-174.7	0	0	0	109.2	C351 V728 A729 M730 G731 D748 D749 I754	C351-L746 HydrophobicContact CB-CD2 4.35Å; V728-L746 HydrophobicContact CG1-CD1 3.91Å; V728-L746 HydrophobicContact CG1-CD2 4.02Å; V728-L746 HydrophobicContact CG1-CG 3.72Å; A729-L746 PolarHBondContact O-N 3.04Å; M730-L746 HydrophobicContact SD-CD1 4.16Å; G731-L746 WeakPolarHBondContact CA-O 3.27Å; G731-L746 PolarHBondContact N-O 3.44Å; L746-D748 PolarHBondContact O-N 3.29Å; L746-D749 PolarHBondContact O-N 3.26Å; L746-I754 HydrophobicContact CD1-CD1 4.45Å; L746-I754 HydrophobicContact CD1-CG1 4.21Å
747	L	88.9	Confident	88.6	Confident	77 Å²	77	23.6 Å²	23.6	40%	0.403	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22	-171.2	-61.5	176.2	0	0	0	113.7	N350 L352 I745	N350-L747 HydrophobicContact CB-CB 4.21Å; N350-L747 WeakPolarHBondContact O-CB 3.44Å; N350-L747 PolarHBondContact O-N 3.2Å; L352-L747 HydrophobicContact CB-CD1 4.17Å; L352-L747 HydrophobicContact CB-CD2 4.28Å; L352-L747 HydrophobicContact CB-CG 4.12Å; L352-L747 HydrophobicContact CD2-CD2 4.31Å; I745-L747 HydrophobicContact CG2-CD2 4.1Å; I745-L747 PolarHBondContact O-N 3.39Å
748	D	88.4	Confident	89.5	Confident	54 Å²	54	21.4 Å²	21.4	29%	0.289	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	7.5	-178.5	61	-2.3	0	0	0	113.7	N350 L746 N750	N350-D748 HydrophobicContact CB-CB 3.96Å; N350-D748 VanDerWaalsContact CB-CG 3.49Å; N350-D748 WeakPolarHBondContact CB-OD2 3.21Å; N350-D748 PolarHBondContact ND2-OD2 3.24Å; L746-D748 PolarHBondContact O-N 3.29Å; D748-N750 PolarHBondContact O-N 2.93Å; D748-N750 WeakPolarHBondContact OD1-CB 3.44Å; D748-N750 PolarHBondContact OD1-N 3.14Å; D748-N750 VanDerWaalsContact OD1-N 3.17Å
749	D	89.5	Confident	90.2	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.043	14%	0.136	C	C	.	.			trans	55	21.1	-175.9	-75.4	13.2	0	0	0	114.3	R590 M730 G731 I732 A733 L746 F751	R590-D749 IonicContact NH2-OD2 3.51Å; R590-D749 PolarHBondContact NH2-OD2 3.14Å; M730-D749 HydrophobicContact CE-CB 3.63Å; M730-D749 WeakPolarHBondContact CE-O 3.4Å; G731-D749 PolarHBondContact N-OD1 3.3Å; I732-D749 WeakPolarHBondContact CB-OD2 3.36Å; I732-D749 PolarHBondContact N-OD1 3.36Å; A733-D749 VanDerWaalsContact CB-OD2 3.23Å; A733-D749 WeakPolarHBondContact CB-OD2 3.39Å; A733-D749 PolarHBondContact N-OD2 3.03Å; L746-D749 PolarHBondContact O-N 3.26Å; D749-F751 PolarHBondContact O-N 3.27Å
750	N	88.6	Confident	90.8	Very high	57 Å²	57	24.7 Å²	24.7	31%	0.305	13%	0.133	S	C	.	.			trans	-88.6	109.4	-179.6	-173.3	-5.9	0	0	0	111.4	A592 D748 A752 S753	A592-N750 WeakPolarHBondContact CB-OD1 3.3Å; D748-N750 PolarHBondContact O-N 2.93Å; D748-N750 WeakPolarHBondContact OD1-CB 3.44Å; D748-N750 PolarHBondContact OD1-N 3.14Å; D748-N750 VanDerWaalsContact OD1-N 3.17Å; N750-A752 PolarHBondContact O-N 3.46Å; N750-A752 VanDerWaalsContact O-N 3.17Å; N750-A752 VanDerWaalsContact OD1-CB 3.28Å; N750-A752 WeakPolarHBondContact OD1-CB 3.44Å; N750-A752 PolarHBondContact OD1-N 3.11Å; N750-S753 WeakPolarHBondContact O-CB 3.16Å; N750-S753 PolarHBondContact O-N 3.19Å; N750-S753 PolarHBondContact O-OG 2.71Å
751	F	88.2	Confident	91.7	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.013	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26	178	-161.4	-89	0	0	0	113.5	T375 L376 V593 A596 V597 T711 D749 S753 I754	T375-F751 HydrophobicContact CG2-CD2 4.36Å; T375-F751 HydrophobicContact CG2-CE2 4.17Å; L376-F751 HydrophobicContact CD2-CD2 4.16Å; L376-F751 HydrophobicContact CD2-CE1 4.37Å; L376-F751 HydrophobicContact CD2-CE2 3.7Å; L376-F751 HydrophobicContact CD2-CZ 3.82Å; V593-F751 HydrophobicContact CG2-CB 3.43Å; V593-F751 VanDerWaalsContact CG2-CB 3.43Å; V593-F751 HydrophobicContact CG2-CD1 4.32Å; V593-F751 HydrophobicContact CG2-CD2 4.41Å; V593-F751 HydrophobicContact CG2-CG 3.83Å; A596-F751 HydrophobicContact CB-CD1 3.74Å; A596-F751 HydrophobicContact CB-CE1 4.41Å; V597-F751 HydrophobicContact CG2-CE1 4.13Å; T711-F751 HydrophobicContact CG2-CE2 4.36Å; D749-F751 PolarHBondContact O-N 3.27Å; F751-S753 PolarHBondContact O-N 3.32Å; F751-S753 VanDerWaalsContact O-N 3.12Å; F751-I754 HydrophobicContact CD1-CD1 3.9Å; F751-I754 HydrophobicContact CD2-CD1 3.5Å; F751-I754 HydrophobicContact CE1-CD1 3.74Å; F751-I754 HydrophobicContact CE2-CD1 3.32Å; F751-I754 HydrophobicContact CG-CD1 3.78Å; F751-I754 HydrophobicContact CZ-CD1 3.45Å; F751-I754 VanDerWaalsContact CZ-CD1 3.45Å; F751-I754 WeakPolarHBondContact O-CB 3.46Å; F751-I754 PolarHBondContact O-N 3.44Å
752	A	90.9	Very high	92.4	Very high	25 Å²	25	20.4 Å²	20.4	21%	0.207	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-18.1	175.5	0	0	0	0	0	113.4	A592 A596 N750 I754 V755 T756	A592-A752 HydrophobicContact CB-CB 4.06Å; A596-A752 HydrophobicContact CB-CB 4.36Å; N750-A752 PolarHBondContact O-N 3.46Å; N750-A752 VanDerWaalsContact O-N 3.17Å; N750-A752 VanDerWaalsContact OD1-CB 3.28Å; N750-A752 WeakPolarHBondContact OD1-CB 3.44Å; N750-A752 PolarHBondContact OD1-N 3.11Å; A752-I754 PolarHBondContact O-N 3.3Å; A752-V755 WeakPolarHBondContact O-CB 3.35Å; A752-V755 PolarHBondContact O-N 3.18Å; A752-V755 VanDerWaalsContact O-N 3.15Å; A752-T756 PolarHBondContact O-N 2.82Å; A752-T756 PolarHBondContact O-OG1 3.18Å
753	S	92.8	Very high	92.8	Very high	8 Å²	8	21.2 Å²	21.2	6%	0.056	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-25.5	172.1	-65.7	0	0	0	0	112.5	N750 F751 T756 G757	N750-S753 WeakPolarHBondContact O-CB 3.16Å; N750-S753 PolarHBondContact O-N 3.19Å; N750-S753 PolarHBondContact O-OG 2.71Å; F751-S753 PolarHBondContact O-N 3.32Å; F751-S753 VanDerWaalsContact O-N 3.12Å; S753-T756 WeakPolarHBondContact O-CB 3.32Å; S753-T756 PolarHBondContact O-N 2.72Å; S753-G757 PolarHBondContact O-N 3.45Å
754	I	93.8	Very high	93.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-45.9	173.1	-65.2	161.7	0	0	0	110.4	L362 I368 T711 L746 F751 A752 T756 G757 V758	L362-I754 HydrophobicContact CD1-CG2 4.4Å; I368-I754 HydrophobicContact CD1-CG2 4.04Å; T711-I754 HydrophobicContact CG2-CD1 3.45Å; T711-I754 VanDerWaalsContact CG2-CD1 3.45Å; T711-I754 HydrophobicContact CG2-CG1 4.31Å; L746-I754 HydrophobicContact CD1-CD1 4.45Å; L746-I754 HydrophobicContact CD1-CG1 4.21Å; F751-I754 HydrophobicContact CD1-CD1 3.9Å; F751-I754 HydrophobicContact CD2-CD1 3.5Å; F751-I754 HydrophobicContact CE1-CD1 3.74Å; F751-I754 HydrophobicContact CE2-CD1 3.32Å; F751-I754 HydrophobicContact CG-CD1 3.78Å; F751-I754 HydrophobicContact CZ-CD1 3.45Å; F751-I754 VanDerWaalsContact CZ-CD1 3.45Å; F751-I754 WeakPolarHBondContact O-CB 3.46Å; F751-I754 PolarHBondContact O-N 3.44Å; A752-I754 PolarHBondContact O-N 3.3Å; I754-T756 VanDerWaalsContact C-N 3.28Å; I754-T756 PolarHBondContact O-N 3.3Å; I754-G757 CarbonylContact O-C 3.57Å; I754-G757 WeakPolarHBondContact O-CA 3.4Å; I754-G757 PolarHBondContact O-N 3.28Å; I754-V758 HydrophobicContact CG2-CG2 4.43Å; I754-V758 WeakPolarHBondContact O-CG2 3.35Å; I754-V758 PolarHBondContact O-N 3.39Å
755	V	95.7	Very high	93.3	Very high	13 Å²	13	20.4 Å²	20.4	8%	0.079	11%	0.11	C	C	.	.	H	α-helix	trans	-59	-44.7	177.5	-178.2	0	0	0	0	110.4	A596 K599 A752 G757 V758 E759 M828	A596-V755 HydrophobicContact CB-CG2 3.8Å; A596-V755 WeakPolarHBondContact O-CG2 3.49Å; K599-V755 HydrophobicContact CB-CG1 3.89Å; K599-V755 HydrophobicContact CB-CG2 4.04Å; K599-V755 HydrophobicContact CD-CG1 3.97Å; A752-V755 WeakPolarHBondContact O-CB 3.35Å; A752-V755 PolarHBondContact O-N 3.18Å; A752-V755 VanDerWaalsContact O-N 3.15Å; V755-G757 VanDerWaalsContact C-N 3.3Å; V755-G757 PolarHBondContact O-N 3.19Å; V755-V758 PolarHBondContact O-N 3.11Å; V755-E759 PolarHBondContact O-N 3.08Å; V755-M828 HydrophobicContact CG1-CE 3.64Å
756	T	93.6	Very high	93.6	Very high	38 Å²	38	21 Å²	21	23%	0.233	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-41	175.7	-58.3	0	0	0	0	111.6	K349 A752 S753 I754 E759 E760	K349-T756 HydrophobicContact CD-CG2 3.51Å; A752-T756 PolarHBondContact O-N 2.82Å; A752-T756 PolarHBondContact O-OG1 3.18Å; S753-T756 WeakPolarHBondContact O-CB 3.32Å; S753-T756 PolarHBondContact O-N 2.72Å; I754-T756 VanDerWaalsContact C-N 3.28Å; I754-T756 PolarHBondContact O-N 3.3Å; T756-E759 PolarHBondContact O-N 3.18Å; T756-E760 HydrophobicContact CG2-CG 4.35Å; T756-E760 VanDerWaalsContact O-CG 3.3Å; T756-E760 WeakPolarHBondContact O-CG 3.31Å; T756-E760 PolarHBondContact O-N 3.39Å
757	G	93.9	Very high	93.8	Very high	1 Å²	1	21 Å²	21	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-68.5	-37.2	177.9	0	0	0	0	0	113.2	S753 I754 V755 E759 G761	S753-G757 PolarHBondContact O-N 3.45Å; I754-G757 CarbonylContact O-C 3.57Å; I754-G757 WeakPolarHBondContact O-CA 3.4Å; I754-G757 PolarHBondContact O-N 3.28Å; V755-G757 VanDerWaalsContact C-N 3.3Å; V755-G757 PolarHBondContact O-N 3.19Å; G757-E759 VanDerWaalsContact C-N 3.34Å; G757-G761 PolarHBondContact O-N 2.94Å
758	V	96.3	Very high	94.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61	-45.3	171.1	173.7	0	0	0	0	110.2	L362 G363 I605 I754 V755 G761 R762 M828	L362-V758 HydrophobicContact CD1-CG2 4.28Å; L362-V758 HydrophobicContact CG-CG2 3.91Å; G363-V758 WeakPolarHBondContact CA-O 3.46Å; I605-V758 HydrophobicContact CD1-CG1 3.9Å; I605-V758 HydrophobicContact CD1-CG2 3.83Å; I754-V758 HydrophobicContact CG2-CG2 4.43Å; I754-V758 WeakPolarHBondContact O-CG2 3.35Å; I754-V758 PolarHBondContact O-N 3.39Å; V755-V758 PolarHBondContact O-N 3.11Å; V758-G761 PolarHBondContact O-N 3.47Å; V758-R762 WeakPolarHBondContact O-CB 3.43Å; V758-R762 VanDerWaalsContact O-CG 3.28Å; V758-R762 WeakPolarHBondContact O-CG 3.43Å; V758-R762 PolarHBondContact O-N 2.91Å; V758-M828 HydrophobicContact CB-CE 4.39Å; V758-M828 HydrophobicContact CG1-CE 4.12Å; V758-M828 HydrophobicContact CG1-SD 4.08Å
759	E	96.3	Very high	94.5	Very high	83 Å²	83	15.2 Å²	15.2	39%	0.388	8%	0.083	S	C	.	.	H	α-helix	trans	-61.5	-52.6	178.2	-172	-175.9	177	0	0	111.7	V755 T756 G757 G761 R762 L763 I827 M828	V755-E759 PolarHBondContact O-N 3.08Å; T756-E759 PolarHBondContact O-N 3.18Å; G757-E759 VanDerWaalsContact C-N 3.34Å; E759-G761 VanDerWaalsContact C-N 3.32Å; E759-G761 PolarHBondContact O-N 3.31Å; E759-R762 PolarHBondContact O-N 3.19Å; E759-L763 WeakPolarHBondContact O-CB 3.22Å; E759-L763 PolarHBondContact O-N 3.02Å; E759-I827 HydrophobicContact CG-CD1 3.79Å; E759-I827 HydrophobicContact CG-CG1 4.14Å; E759-I827 VanDerWaalsContact O-CD1 3.3Å; E759-I827 WeakPolarHBondContact O-CD1 3.05Å; E759-M828 HydrophobicContact CB-CG 4.24Å; E759-M828 HydrophobicContact CB-SD 3.76Å; E759-M828 HydrophobicContact CG-CG 4.19Å; E759-M828 HydrophobicContact CG-SD 4.27Å
760	E	95.6	Very high	94.9	Very high	16 Å²	16	15 Å²	15	8%	0.075	8%	0.081	C	C	.	.	H	α-helix	trans	-64.7	-36.1	179.6	-65.1	-79.4	179.3	0	0	111.6	T342 R345 M346 K349 T756 L763 I764	T342-E760 HydrophobicContact CG2-CB 4.08Å; R345-E760 IonicContact CZ-OE2 3.98Å; R345-E760 VanDerWaalsContact CZ-OE2 3.3Å; R345-E760 IonicContact NE-OE2 2.71Å; R345-E760 IonicContact NH1-OE2 2.73Å; R345-E760 PolarHBondContact NH1-OE2 3.31Å; R345-E760 IonicContact NH2-OE2 3.97Å; M346-E760 HydrophobicContact CG-CB 4.28Å; M346-E760 HydrophobicContact CG-CG 4.21Å; M346-E760 HydrophobicContact SD-CB 4.21Å; K349-E760 IonicContact NZ-OE1 3.52Å; K349-E760 PolarHBondContact NZ-OE1 2.93Å; T756-E760 HydrophobicContact CG2-CG 4.35Å; T756-E760 VanDerWaalsContact O-CG 3.3Å; T756-E760 WeakPolarHBondContact O-CG 3.31Å; T756-E760 PolarHBondContact O-N 3.39Å; E760-L763 PolarHBondContact O-N 2.77Å; E760-I764 WeakPolarHBondContact O-CG2 3.33Å; E760-I764 PolarHBondContact O-N 3.24Å
761	G	95.8	Very high	95.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.2	-44	175	0	0	0	0	0	112.7	V359 G757 V758 E759 L763 I764 F765	V359-G761 VanDerWaalsContact O-CA 3.25Å; V359-G761 WeakPolarHBondContact O-CA 3.33Å; G757-G761 PolarHBondContact O-N 2.94Å; V758-G761 PolarHBondContact O-N 3.47Å; E759-G761 VanDerWaalsContact C-N 3.32Å; E759-G761 PolarHBondContact O-N 3.31Å; G761-L763 VanDerWaalsContact C-N 3.34Å; G761-I764 VanDerWaalsContact O-CG2 3.25Å; G761-I764 WeakPolarHBondContact O-CG2 3.38Å; G761-F765 PolarHBondContact O-N 3.41Å; G761-F765 VanDerWaalsContact O-N 3.17Å
762	R	96.8	Very high	95.6	Very high	6 Å²	6	12.2 Å²	12.2	2%	0.023	7%	0.067	C	C	.	.	H	α-helix	trans	-65.3	-39.7	174.7	-77.3	175.7	-176.3	-159.2	2.1	111.6	G363 A603 V758 E759 D766 I827 R830	G363-R762 VanDerWaalsContact O-CG 3.24Å; G363-R762 WeakPolarHBondContact O-CG 3.48Å; G363-R762 PolarHBondContact O-NE 3.35Å; A603-R762 PolarHBondContact O-NH2 3.02Å; V758-R762 WeakPolarHBondContact O-CB 3.43Å; V758-R762 VanDerWaalsContact O-CG 3.28Å; V758-R762 WeakPolarHBondContact O-CG 3.43Å; V758-R762 PolarHBondContact O-N 2.91Å; E759-R762 PolarHBondContact O-N 3.19Å; R762-D766 PolarHBondContact O-N 3.19Å; R762-I827 HydrophobicContact CB-CB 4.48Å; R762-I827 HydrophobicContact CB-CD1 4.04Å; R762-I827 WeakPolarHBondContact CD-O 3.42Å; R762-I827 PolarHBondContact NH1-O 2.93Å; R762-R830 PolarHBondContact NH1-O 3.3Å; R762-R830 PolarHBondContact O-NH2 3.39Å
763	L	97.1	Very high	95.9	Very high	18 Å²	18	11.2 Å²	11.2	9%	0.094	6%	0.058	C	C	.	.	H	α-helix	trans	-65.7	-48.3	178.8	-179.4	62.8	0	0	0	111.6	E759 E760 G761 F765 D766 N767 A823 I827	E759-L763 WeakPolarHBondContact O-CB 3.22Å; E759-L763 PolarHBondContact O-N 3.02Å; E760-L763 PolarHBondContact O-N 2.77Å; G761-L763 VanDerWaalsContact C-N 3.34Å; L763-F765 VanDerWaalsContact C-N 3.3Å; L763-F765 PolarHBondContact O-N 2.82Å; L763-D766 PolarHBondContact O-N 3.4Å; L763-N767 WeakPolarHBondContact O-CB 3.33Å; L763-N767 VanDerWaalsContact O-CG 3.3Å; L763-N767 PolarHBondContact O-N 3.36Å; L763-A823 HydrophobicContact CD1-CB 4.15Å; L763-I827 HydrophobicContact CB-CD1 3.96Å
764	I	96.3	Very high	96.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.8	-34.6	-179.2	-167.8	54.2	0	0	0	111.5	C338 L339 T342 V359 E360 E760 G761 N767 L768 A819	C338-I764 HydrophobicContact CB-CD1 4.18Å; L339-I764 HydrophobicContact CD2-CG1 4.17Å; T342-I764 HydrophobicContact CG2-CB 4.2Å; T342-I764 WeakPolarHBondContact OG1-CD1 3.2Å; V359-I764 HydrophobicContact CG1-CG2 4.2Å; E360-I764 HydrophobicContact CB-CG2 4.23Å; E760-I764 WeakPolarHBondContact O-CG2 3.33Å; E760-I764 PolarHBondContact O-N 3.24Å; G761-I764 VanDerWaalsContact O-CG2 3.25Å; G761-I764 WeakPolarHBondContact O-CG2 3.38Å; I764-N767 PolarHBondContact O-N 3.33Å; I764-L768 HydrophobicContact CD1-CG 4.16Å; I764-L768 HydrophobicContact CG1-CD1 4.14Å; I764-L768 HydrophobicContact CG1-CG 4.11Å; I764-L768 VanDerWaalsContact O-CB 3.31Å; I764-L768 WeakPolarHBondContact O-CB 3.3Å; I764-L768 VanDerWaalsContact O-CG 3.22Å; I764-L768 WeakPolarHBondContact O-CG 3.34Å; I764-L768 PolarHBondContact O-N 2.79Å; I764-A819 HydrophobicContact CD1-CB 4.33Å
765	F	96.6	Very high	96.2	Very high	12 Å²	12	11 Å²	11	5%	0.053	6%	0.057	C	C	.	.	H	α-helix	trans	-59.8	-48.7	175.1	-175.7	-95.9	0	0	0	111.6	E282 E360 G761 L763 N767 L768 K769 L840	E282-F765 HydrophobicContact CG-CE2 4.49Å; E360-F765 HydrophobicContact CG-CB 4.25Å; E360-F765 HydrophobicContact CG-CD2 4.07Å; E360-F765 WeakPolarHBondContact OE1-CD2 3.18Å; G761-F765 PolarHBondContact O-N 3.41Å; G761-F765 VanDerWaalsContact O-N 3.17Å; L763-F765 VanDerWaalsContact C-N 3.3Å; L763-F765 PolarHBondContact O-N 2.82Å; F765-N767 VanDerWaalsContact C-N 3.34Å; F765-N767 PolarHBondContact O-N 3.31Å; F765-L768 PolarHBondContact O-N 2.78Å; F765-K769 HydrophobicContact CE1-CD 4.44Å; F765-K769 PolarHBondContact O-N 3.29Å; F765-L840 HydrophobicContact CD2-CD1 4.03Å; F765-L840 HydrophobicContact CE2-CB 4.02Å; F765-L840 HydrophobicContact CE2-CD1 3.84Å; F765-L840 HydrophobicContact CZ-CB 4.23Å; F765-L840 HydrophobicContact CZ-CD1 4.25Å
766	D	96.8	Very high	96.2	Very high	20 Å²	20	10.4 Å²	10.4	11%	0.107	5%	0.053	C	C	.	.	H	α-helix	trans	-66	-37.3	177.6	-72.9	-33.2	0	0	0	112.1	R762 L763 K769 K770 R830 R936	R762-D766 PolarHBondContact O-N 3.19Å; L763-D766 PolarHBondContact O-N 3.4Å; D766-K769 WeakPolarHBondContact O-CB 3.39Å; D766-K769 PolarHBondContact O-N 3.37Å; D766-K770 WeakPolarHBondContact O-CG 3.17Å; D766-K770 PolarHBondContact O-N 3.29Å; D766-R830 IonicContact OD1-NH1 3.18Å; D766-R830 IonicContact OD1-NH2 2.78Å; D766-R830 IonicContact OD2-CZ 2.66Å; D766-R830 IonicContact OD2-NH1 3.93Å; D766-R830 PolarHBondContact OD2-NH1 3.1Å; D766-R830 IonicContact OD2-NH2 2.64Å; D766-R830 PolarHBondContact OD2-NH2 3.39Å; D766-R936 VanDerWaalsContact CG-NH1 3.26Å; D766-R936 IonicContact OD1-CZ 3.1Å; D766-R936 IonicContact OD1-NH1 2.78Å; D766-R936 PolarHBondContact OD1-NH1 3.24Å
767	N	97.4	Very high	96.4	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.011	4%	0.043	C	C	.	.	H	α-helix	trans	-72.7	-32	178.3	-71	-6.4	0	0	0	112.7	L763 I764 F765 K769 K770 S771 A819 E821	L763-N767 WeakPolarHBondContact O-CB 3.33Å; L763-N767 VanDerWaalsContact O-CG 3.3Å; L763-N767 PolarHBondContact O-N 3.36Å; I764-N767 PolarHBondContact O-N 3.33Å; F765-N767 VanDerWaalsContact C-N 3.34Å; F765-N767 PolarHBondContact O-N 3.31Å; N767-K769 VanDerWaalsContact C-N 3.34Å; N767-K770 WeakPolarHBondContact O-CB 3.39Å; N767-K770 PolarHBondContact O-N 2.78Å; N767-S771 PolarHBondContact O-N 3.19Å; N767-A819 PolarHBondContact ND2-O 3.23Å; N767-E821 PolarHBondContact ND2-O 2.74Å
768	L	95.9	Very high	96.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64.8	-39.4	172.1	-77.2	173.9	0	0	0	110.7	I279 V335 C338 L339 I764 F765 K770 S771 I772 L840	I279-L768 HydrophobicContact CD1-CD1 4.04Å; V335-L768 HydrophobicContact CB-CD2 4.36Å; V335-L768 HydrophobicContact CG1-CD2 4.1Å; V335-L768 HydrophobicContact CG2-CD2 4.19Å; C338-L768 HydrophobicContact CB-CD2 3.78Å; L339-L768 HydrophobicContact CD2-CD1 4.24Å; I764-L768 HydrophobicContact CD1-CG 4.16Å; I764-L768 HydrophobicContact CG1-CD1 4.14Å; I764-L768 HydrophobicContact CG1-CG 4.11Å; I764-L768 VanDerWaalsContact O-CB 3.31Å; I764-L768 WeakPolarHBondContact O-CB 3.3Å; I764-L768 VanDerWaalsContact O-CG 3.22Å; I764-L768 WeakPolarHBondContact O-CG 3.34Å; I764-L768 PolarHBondContact O-N 2.79Å; F765-L768 PolarHBondContact O-N 2.78Å; L768-K770 VanDerWaalsContact C-N 3.28Å; L768-K770 PolarHBondContact O-N 3.43Å; L768-S771 PolarHBondContact O-N 2.9Å; L768-I772 HydrophobicContact CB-CD1 4.47Å; L768-I772 WeakPolarHBondContact O-CB 3.05Å; L768-I772 WeakPolarHBondContact O-CD1 3.22Å; L768-I772 WeakPolarHBondContact O-CG1 3.47Å; L768-I772 PolarHBondContact O-N 3.28Å; L768-L840 HydrophobicContact CB-CD1 3.99Å
769	K	96.7	Very high	96.4	Very high	9 Å²	9	8.7 Å²	8.7	4%	0.039	4%	0.042	C	C	.	.	H	α-helix	trans	-56.2	-43.9	171.5	-67.3	-166.5	164.9	-165.7	0	112.3	F765 D766 N767 A773 K839 L840 L845 Y1019	F765-K769 HydrophobicContact CE1-CD 4.44Å; F765-K769 PolarHBondContact O-N 3.29Å; D766-K769 WeakPolarHBondContact O-CB 3.39Å; D766-K769 PolarHBondContact O-N 3.37Å; N767-K769 VanDerWaalsContact C-N 3.34Å; K769-A773 VanDerWaalsContact O-CB 3.23Å; K769-A773 WeakPolarHBondContact O-CB 3.43Å; K769-A773 PolarHBondContact O-N 3.28Å; K769-K839 WeakPolarHBondContact CE-O 3.1Å; K769-K839 PolarHBondContact NZ-O 3.32Å; K769-L840 VanDerWaalsContact CE-O 3.26Å; K769-L840 WeakPolarHBondContact CE-O 3.41Å; K769-L840 HydrophobicContact CG-CD1 3.84Å; K769-L840 WeakPolarHBondContact CG-O 3.36Å; K769-L845 HydrophobicContact CB-CD1 4.49Å; K769-Y1019 PolarHBondContact NZ-OXT 3Å
770	K	97.4	Very high	96.4	Very high	3 Å²	3	5.9 Å²	5.9	1%	0.013	3%	0.03	C	C	.	.	H	α-helix	trans	-63.8	-48	178.7	-63.2	173.7	-179	-176.1	0	111.4	D766 N767 L768 A773 Y774 L818 E824 C933 K934 R936	D766-K770 WeakPolarHBondContact O-CG 3.17Å; D766-K770 PolarHBondContact O-N 3.29Å; N767-K770 WeakPolarHBondContact O-CB 3.39Å; N767-K770 PolarHBondContact O-N 2.78Å; L768-K770 VanDerWaalsContact C-N 3.28Å; L768-K770 PolarHBondContact O-N 3.43Å; K770-A773 PolarHBondContact O-N 2.94Å; K770-Y774 WeakPolarHBondContact O-CB 3.41Å; K770-Y774 PolarHBondContact O-N 3.18Å; K770-L818 HydrophobicContact CB-CD1 4.48Å; K770-E824 WeakPolarHBondContact CE-OE1 3.39Å; K770-E824 IonicContact NZ-OE1 3.77Å; K770-E824 PolarHBondContact NZ-OE1 3Å; K770-C933 VanDerWaalsContact CB-O 3.3Å; K770-C933 WeakPolarHBondContact CB-O 3.35Å; K770-C933 VanDerWaalsContact CD-O 3.26Å; K770-C933 WeakPolarHBondContact CD-O 3.28Å; K770-C933 WeakPolarHBondContact CG-O 3.39Å; K770-K934 WeakPolarHBondContact CE-O 3.41Å; K770-K934 PolarHBondContact NZ-O 3.36Å; K770-R936 HydrophobicContact CG-CG 4.11Å
771	S	97.1	Very high	96.4	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62.8	-43	178.5	-179.6	0	0	0	0	112.1	T334 N767 L768 T775 A815	T334-S771 WeakPolarHBondContact CG2-OG 3.26Å; N767-S771 PolarHBondContact O-N 3.19Å; L768-S771 PolarHBondContact O-N 2.9Å; S771-T775 PolarHBondContact O-N 2.94Å; S771-T775 PolarHBondContact O-OG1 2.8Å; S771-A815 PolarHBondContact OG-O 3.35Å
772	I	95.8	Very high	96.4	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.01	3%	0.027	C	C	.	.	H	α-helix	trans	-67.2	-44.6	177.7	-67.8	161.1	0	0	0	110.3	F286 L331 L768 Y774 T775 L776 L840 V841	F286-I772 HydrophobicContact CE2-CG2 4.32Å; F286-I772 HydrophobicContact CZ-CG2 4.48Å; L331-I772 HydrophobicContact CD1-CB 4.47Å; L331-I772 HydrophobicContact CD1-CG1 3.91Å; L331-I772 HydrophobicContact CD2-CG1 4.37Å; L331-I772 HydrophobicContact CD2-CG2 4.27Å; L768-I772 HydrophobicContact CB-CD1 4.47Å; L768-I772 WeakPolarHBondContact O-CB 3.05Å; L768-I772 WeakPolarHBondContact O-CD1 3.22Å; L768-I772 WeakPolarHBondContact O-CG1 3.47Å; L768-I772 PolarHBondContact O-N 3.28Å; I772-Y774 VanDerWaalsContact C-N 3.34Å; I772-Y774 PolarHBondContact O-N 2.88Å; I772-T775 PolarHBondContact O-N 3.17Å; I772-L776 HydrophobicContact CG2-CD1 3.54Å; I772-L776 HydrophobicContact CG2-CG 4Å; I772-L776 VanDerWaalsContact O-CB 3.28Å; I772-L776 WeakPolarHBondContact O-CB 3.5Å; I772-L776 VanDerWaalsContact O-CG 3.23Å; I772-L776 WeakPolarHBondContact O-CG 3.34Å; I772-L776 PolarHBondContact O-N 2.85Å; I772-L840 HydrophobicContact CD1-CD1 4.23Å; I772-L840 HydrophobicContact CD1-CD2 3.6Å; I772-L840 HydrophobicContact CD1-CG 3.8Å; I772-V841 HydrophobicContact CD1-CG2 4.34Å; I772-V841 HydrophobicContact CG2-CG2 3.77Å
773	A	97	Very high	96.2	Very high	3 Å²	3	5.1 Å²	5.1	3%	0.025	3%	0.027	C	C	.	.	H	α-helix	trans	-57.6	-47.7	177.5	0	0	0	0	0	111.5	K769 K770 T775 L776 T777 L845 Y1019	K769-A773 VanDerWaalsContact O-CB 3.23Å; K769-A773 WeakPolarHBondContact O-CB 3.43Å; K769-A773 PolarHBondContact O-N 3.28Å; K770-A773 PolarHBondContact O-N 2.94Å; A773-T775 PolarHBondContact O-N 3.24Å; A773-L776 PolarHBondContact O-N 2.91Å; A773-T777 PolarHBondContact O-N 2.76Å; A773-T777 PolarHBondContact O-OG1 3.1Å; A773-L845 HydrophobicContact CB-CD1 4.26Å; A773-L845 HydrophobicContact CB-CD2 4.11Å; A773-L845 HydrophobicContact CB-CG 4.09Å; A773-Y1019 HydrophobicContact CB-CE2 3.94Å
774	Y	97.6	Very high	96.1	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-56.8	-49.9	177.8	169.5	-102.5	0	0	0	112.7	K770 I772 L776 T777 D811 P814 A815 L818 Q926 D929 V930	K770-Y774 WeakPolarHBondContact O-CB 3.41Å; K770-Y774 PolarHBondContact O-N 3.18Å; I772-Y774 VanDerWaalsContact C-N 3.34Å; I772-Y774 PolarHBondContact O-N 2.88Å; Y774-L776 VanDerWaalsContact C-N 3.34Å; Y774-L776 PolarHBondContact O-N 3.19Å; Y774-T777 PolarHBondContact O-N 2.79Å; Y774-D811 HydrophobicContact CE1-CB 4.05Å; Y774-P814 HydrophobicContact CE1-CB 3.81Å; Y774-P814 VanDerWaalsContact OH-CB 3.3Å; Y774-P814 WeakPolarHBondContact OH-CB 3.35Å; Y774-A815 HydrophobicContact CD1-CB 3.76Å; Y774-A815 HydrophobicContact CE1-CB 3.94Å; Y774-L818 HydrophobicContact CD1-CD1 4.44Å; Y774-L818 HydrophobicContact CG-CD1 4.15Å; Y774-Q926 HydrophobicContact CE2-CB 4.07Å; Y774-Q926 HydrophobicContact CE2-CG 4.3Å; Y774-Q926 VanDerWaalsContact CZ-NE2 3.33Å; Y774-Q926 PolarHBondContact O-NE2 3.13Å; Y774-D929 HydrophobicContact CD2-CB 4.12Å; Y774-D929 WeakPolarHBondContact CD2-OD2 3.22Å; Y774-D929 HydrophobicContact CE2-CB 4.31Å; Y774-V930 HydrophobicContact CD2-CB 3.93Å; Y774-V930 HydrophobicContact CD2-CG2 4.43Å; Y774-V930 HydrophobicContact CE2-CB 3.66Å; Y774-V930 HydrophobicContact CE2-CG2 4.33Å
775	T	95.7	Very high	96	Very high	5 Å²	5	5.2 Å²	5.2	3%	0.031	3%	0.028	C	C	.	.	H	α-helix	trans	-68.3	-32.6	179.1	-54.2	0	0	0	0	112.4	P328 L331 S771 I772 A773 S778 N779	P328-T775 HydrophobicContact CB-CG2 4.04Å; L331-T775 HydrophobicContact CB-CG2 4.25Å; L331-T775 HydrophobicContact CD1-CG2 4.33Å; S771-T775 PolarHBondContact O-N 2.94Å; S771-T775 PolarHBondContact O-OG1 2.8Å; I772-T775 PolarHBondContact O-N 3.17Å; A773-T775 PolarHBondContact O-N 3.24Å; T775-S778 PolarHBondContact O-OG 3.47Å; T775-N779 PolarHBondContact O-OD1 3.01Å; T775-N779 VanDerWaalsContact O-OD1 3.1Å
776	L	95	Very high	95.7	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-74.5	-26.7	177.9	-75.4	-178.5	0	0	0	112.9	F286 I290 P328 I772 A773 Y774 S778 N779 L845 I846 A849 Y850	F286-L776 HydrophobicContact CE2-CD1 3.86Å; F286-L776 HydrophobicContact CE2-CD2 4.12Å; F286-L776 HydrophobicContact CE2-CG 4.46Å; F286-L776 HydrophobicContact CZ-CD2 4.25Å; I290-L776 HydrophobicContact CD1-CD1 4.36Å; I290-L776 HydrophobicContact CD1-CD2 3.78Å; I290-L776 HydrophobicContact CG1-CD2 4.37Å; P328-L776 HydrophobicContact CG-CD2 4.14Å; I772-L776 HydrophobicContact CG2-CD1 3.54Å; I772-L776 HydrophobicContact CG2-CG 4Å; I772-L776 VanDerWaalsContact O-CB 3.28Å; I772-L776 WeakPolarHBondContact O-CB 3.5Å; I772-L776 VanDerWaalsContact O-CG 3.23Å; I772-L776 WeakPolarHBondContact O-CG 3.34Å; I772-L776 PolarHBondContact O-N 2.85Å; A773-L776 PolarHBondContact O-N 2.91Å; Y774-L776 VanDerWaalsContact C-N 3.34Å; Y774-L776 PolarHBondContact O-N 3.19Å; L776-S778 VanDerWaalsContact C-N 3.32Å; L776-S778 PolarHBondContact O-N 3.37Å; L776-N779 PolarHBondContact O-N 2.96Å; L776-L845 HydrophobicContact CD1-CD2 3.84Å; L776-I846 HydrophobicContact CD1-CD1 4.13Å; L776-A849 HydrophobicContact CB-CB 4.34Å; L776-Y850 HydrophobicContact CB-CD1 4.38Å; L776-Y850 HydrophobicContact CB-CE1 3.83Å; L776-Y850 HydrophobicContact CD2-CE1 4.12Å; L776-Y850 HydrophobicContact CG-CE1 4.44Å; L776-Y850 WeakPolarHBondContact O-CD1 3.35Å; L776-Y850 WeakPolarHBondContact O-CE1 3.47Å
777	T	97.1	Very high	95.4	Very high	3 Å²	3	6 Å²	6	2%	0.018	3%	0.033	C	C	.	.	H	α-helix	trans	-62.9	-39	-179.6	-57.9	0	0	0	0	111.8	A773 Y774 N779 I780 P781 I853 G854 Q857 D929	A773-T777 PolarHBondContact O-N 2.76Å; A773-T777 PolarHBondContact O-OG1 3.1Å; Y774-T777 PolarHBondContact O-N 2.79Å; T777-N779 VanDerWaalsContact C-N 3.29Å; T777-N779 PolarHBondContact O-N 2.89Å; T777-I780 PolarHBondContact O-N 3.34Å; T777-P781 WeakPolarHBondContact O-CD 3.28Å; T777-I853 HydrophobicContact CG2-CB 3.71Å; T777-I853 HydrophobicContact CG2-CG2 3.54Å; T777-G854 WeakPolarHBondContact O-CA 3.33Å; T777-Q857 HydrophobicContact CG2-CG 4.42Å; T777-Q857 PolarHBondContact O-OE1 2.69Å; T777-D929 WeakPolarHBondContact CB-OD2 3.31Å; T777-D929 PolarHBondContact OG1-OD2 3.07Å
778	S	96.1	Very high	95.2	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-70.3	-19.8	-178.7	57.1	0	0	0	0	114	T775 L776 I780 P781 E782	T775-S778 PolarHBondContact O-OG 3.47Å; L776-S778 VanDerWaalsContact C-N 3.32Å; L776-S778 PolarHBondContact O-N 3.37Å; S778-I780 PolarHBondContact O-N 3.24Å; S778-I780 VanDerWaalsContact O-N 3.17Å; S778-P781 WeakPolarHBondContact O-CD 3.28Å; S778-P781 WeakPolarHBondContact O-CG 3.38Å; S778-E782 WeakPolarHBondContact CB-OE1 3.45Å; S778-E782 WeakPolarHBondContact O-CG 3.48Å; S778-E782 PolarHBondContact O-N 3.06Å; S778-E782 PolarHBondContact OG-OE1 2.95Å
779	N	94.7	Very high	95	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-59.7	-33	176.7	-67.2	28	0	0	0	112.4	N326 T775 L776 T777 E782 I783 Y850	N326-N779 PolarHBondContact O-ND2 3.12Å; T775-N779 PolarHBondContact O-OD1 3.01Å; T775-N779 VanDerWaalsContact O-OD1 3.1Å; L776-N779 PolarHBondContact O-N 2.96Å; T777-N779 VanDerWaalsContact C-N 3.29Å; T777-N779 PolarHBondContact O-N 2.89Å; N779-E782 PolarHBondContact O-N 3.25Å; N779-I783 HydrophobicContact CB-CD1 4.14Å; N779-I783 WeakPolarHBondContact O-CB 3.43Å; N779-I783 VanDerWaalsContact O-CD1 3.22Å; N779-I783 WeakPolarHBondContact O-CD1 3.29Å; N779-I783 WeakPolarHBondContact O-CG1 3.23Å; N779-I783 PolarHBondContact O-N 3.37Å; N779-Y850 HydrophobicContact CB-CE1 4.21Å; N779-Y850 PolarHBondContact ND2-OH 3.26Å
780	I	96	Very high	94.6	Very high	24 Å²	24	8.5 Å²	8.5	12%	0.123	5%	0.045	C	C	.	.	H	α-helix	trans	-67.7	-50.7	-179.5	-62.8	-60.9	0	0	0	113.6	T777 S778 E782 I783 S784 Y850 G854 M855 A858	T777-I780 PolarHBondContact O-N 3.34Å; S778-I780 PolarHBondContact O-N 3.24Å; S778-I780 VanDerWaalsContact O-N 3.17Å; I780-E782 PolarHBondContact O-N 3.42Å; I780-I783 PolarHBondContact O-N 2.86Å; I780-S784 VanDerWaalsContact O-CB 3.29Å; I780-S784 WeakPolarHBondContact O-CB 3.18Å; I780-S784 PolarHBondContact O-N 3.48Å; I780-S784 PolarHBondContact O-OG 2.89Å; I780-Y850 HydrophobicContact CD1-CD1 4.44Å; I780-Y850 HydrophobicContact CD1-CD2 3.66Å; I780-Y850 HydrophobicContact CD1-CE2 4.25Å; I780-Y850 HydrophobicContact CD1-CG 3.76Å; I780-Y850 HydrophobicContact CG1-CD1 4.31Å; I780-Y850 HydrophobicContact CG1-CD2 4.39Å; I780-Y850 HydrophobicContact CG1-CG 4Å; I780-G854 VanDerWaalsContact CG2-C 3.48Å; I780-G854 WeakPolarHBondContact CG2-O 3.44Å; I780-M855 HydrophobicContact CG2-SD 3.79Å; I780-A858 HydrophobicContact CG2-CB 4.16Å
781	P	96.7	Very high	94.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.9	-15	172	24.5	-34.1	0	0	0	113.3	T777 S778 P785 Q857 A858 F918 I922	T777-P781 WeakPolarHBondContact O-CD 3.28Å; S778-P781 WeakPolarHBondContact O-CD 3.28Å; S778-P781 WeakPolarHBondContact O-CG 3.38Å; P781-P785 WeakPolarHBondContact O-CD 2.98Å; P781-P785 WeakPolarHBondContact O-CG 3.45Å; P781-Q857 HydrophobicContact CB-CB 4.14Å; P781-Q857 HydrophobicContact CG-CB 3.74Å; P781-A858 HydrophobicContact CB-CB 4.31Å; P781-F918 HydrophobicContact CB-CE1 4.16Å; P781-F918 WeakPolarHBondContact O-CE1 3.3Å; P781-I922 HydrophobicContact CB-CD1 4.03Å; P781-I922 HydrophobicContact CB-CG1 3.97Å; P781-I922 HydrophobicContact CG-CD1 4.32Å; P781-I922 HydrophobicContact CG-CG1 4.21Å
782	E	94.6	Very high	94	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-88.2	-39	174.8	-66.1	160.1	-161.5	0	0	113.3	S778 N779 I780 P785 L798 I803 I806 I922	S778-E782 WeakPolarHBondContact CB-OE1 3.45Å; S778-E782 WeakPolarHBondContact O-CG 3.48Å; S778-E782 PolarHBondContact O-N 3.06Å; S778-E782 PolarHBondContact OG-OE1 2.95Å; N779-E782 PolarHBondContact O-N 3.25Å; I780-E782 PolarHBondContact O-N 3.42Å; E782-P785 WeakPolarHBondContact O-CD 3.44Å; E782-L798 HydrophobicContact CB-CD2 4.33Å; E782-L798 HydrophobicContact CG-CD2 4.15Å; E782-I803 HydrophobicContact CB-CD1 4.06Å; E782-I803 HydrophobicContact CB-CG1 4.04Å; E782-I803 HydrophobicContact CB-CG2 4.49Å; E782-I803 HydrophobicContact CG-CG1 4.09Å; E782-I803 HydrophobicContact CG-CG2 4.38Å; E782-I806 HydrophobicContact CG-CD1 4.23Å; E782-I806 WeakPolarHBondContact OE1-CG2 3.34Å; E782-I922 HydrophobicContact CG-CD1 4.24Å
783	I	93.1	Very high	93.8	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-74.8	-45.8	178.2	-64.7	156.7	0	0	0	110.9	A325 N326 N779 I780 P785 F786 L787	A325-I783 HydrophobicContact CB-CG1 3.77Å; A325-I783 VanDerWaalsContact O-CG1 3.3Å; A325-I783 WeakPolarHBondContact O-CG1 3.2Å; N326-I783 HydrophobicContact CB-CD1 4.32Å; N326-I783 WeakPolarHBondContact ND2-CD1 3.35Å; N326-I783 WeakPolarHBondContact OD1-CD1 3.3Å; N779-I783 HydrophobicContact CB-CD1 4.14Å; N779-I783 WeakPolarHBondContact O-CB 3.43Å; N779-I783 VanDerWaalsContact O-CD1 3.22Å; N779-I783 WeakPolarHBondContact O-CD1 3.29Å; N779-I783 WeakPolarHBondContact O-CG1 3.23Å; N779-I783 PolarHBondContact O-N 3.37Å; I780-I783 PolarHBondContact O-N 2.86Å; I783-P785 VanDerWaalsContact C-CD 3.47Å; I783-F786 PolarHBondContact O-N 3.25Å; I783-L787 HydrophobicContact CG2-CD1 4.08Å; I783-L787 HydrophobicContact CG2-CD2 4.06Å; I783-L787 HydrophobicContact CG2-CG 4.01Å; I783-L787 PolarHBondContact O-N 3.16Å
784	S	94.8	Very high	93.7	Very high	19 Å²	19	15.2 Å²	15.2	13%	0.133	9%	0.085	C	C	.	.	H	α-helix	trans	-58.5	-34.3	-172.2	57.5	0	0	0	0	114.9	I780 F786 L787 L788 A858	I780-S784 VanDerWaalsContact O-CB 3.29Å; I780-S784 WeakPolarHBondContact O-CB 3.18Å; I780-S784 PolarHBondContact O-N 3.48Å; I780-S784 PolarHBondContact O-OG 2.89Å; S784-F786 VanDerWaalsContact C-N 3.34Å; S784-F786 PolarHBondContact O-N 3.38Å; S784-L787 PolarHBondContact O-N 3.07Å; S784-L787 VanDerWaalsContact O-N 3.1Å; S784-L788 PolarHBondContact O-N 2.84Å; S784-A858 WeakPolarHBondContact OG-CB 3.5Å
785	P	94.4	Very high	93.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-50.9	-46.8	169	-33.4	38.4	0	0	0	114	P781 E782 I783 L787 L788 F789 P797 L798 F918	P781-P785 WeakPolarHBondContact O-CD 2.98Å; P781-P785 WeakPolarHBondContact O-CG 3.45Å; E782-P785 WeakPolarHBondContact O-CD 3.44Å; I783-P785 VanDerWaalsContact C-CD 3.47Å; P785-L787 VanDerWaalsContact C-N 3.33Å; P785-L787 PolarHBondContact O-N 3.3Å; P785-L788 PolarHBondContact O-N 2.83Å; P785-F789 WeakPolarHBondContact O-CB 3.22Å; P785-F789 PolarHBondContact O-N 3.02Å; P785-P797 HydrophobicContact CB-CB 4.01Å; P785-P797 HydrophobicContact CB-CG 4.15Å; P785-P797 HydrophobicContact CG-CB 4.48Å; P785-L798 HydrophobicContact CB-CB 3.77Å; P785-L798 HydrophobicContact CG-CB 3.67Å; P785-L798 HydrophobicContact CG-CD2 4.3Å; P785-F918 HydrophobicContact CG-CE1 4.01Å; P785-F918 HydrophobicContact CG-CE2 4.02Å; P785-F918 HydrophobicContact CG-CZ 3.61Å
786	F	90.4	Very high	93.4	Very high	13 Å²	13	16.2 Å²	16.2	6%	0.057	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-37	177.4	-74.1	-89	0	0	0	111.5	I322 I783 S784 F789 I790 L796 I803	I322-F786 HydrophobicContact CG1-CB 4.27Å; I783-F786 PolarHBondContact O-N 3.25Å; S784-F786 VanDerWaalsContact C-N 3.34Å; S784-F786 PolarHBondContact O-N 3.38Å; F786-F789 PolarHBondContact O-N 3.42Å; F786-I790 WeakPolarHBondContact O-CD1 3.46Å; F786-I790 WeakPolarHBondContact O-CG1 3.28Å; F786-I790 PolarHBondContact O-N 2.99Å; F786-L796 HydrophobicContact CD1-CD1 4.27Å; F786-L796 HydrophobicContact CE1-CD1 4.21Å; F786-L796 HydrophobicContact CZ-CD1 4.5Å; F786-I803 HydrophobicContact CE2-CD1 3.71Å
787	L	90.9	Very high	93.4	Very high	36 Å²	36	16.2 Å²	16.2	19%	0.188	9%	0.09	C	C	.	.	H	α-helix	trans	-65.9	-44.6	177.8	-49.9	-170.9	0	0	0	111.3	F301 I322 I783 S784 P785 I790 I791	F301-L787 HydrophobicContact CD1-CD2 3.77Å; F301-L787 HydrophobicContact CD2-CD2 3.83Å; F301-L787 HydrophobicContact CE1-CB 3.93Å; F301-L787 HydrophobicContact CE1-CD1 4.48Å; F301-L787 HydrophobicContact CE1-CD2 3.59Å; F301-L787 HydrophobicContact CE1-CG 4.16Å; F301-L787 HydrophobicContact CE2-CD1 4.11Å; F301-L787 HydrophobicContact CE2-CD2 3.67Å; F301-L787 HydrophobicContact CE2-CG 4.41Å; F301-L787 HydrophobicContact CG-CD2 3.89Å; F301-L787 HydrophobicContact CZ-CB 4.07Å; F301-L787 HydrophobicContact CZ-CD1 3.82Å; F301-L787 HydrophobicContact CZ-CD2 3.55Å; F301-L787 HydrophobicContact CZ-CG 3.98Å; I322-L787 HydrophobicContact CD1-CD2 4.1Å; I322-L787 HydrophobicContact CG1-CD2 4.41Å; I783-L787 HydrophobicContact CG2-CD1 4.08Å; I783-L787 HydrophobicContact CG2-CD2 4.06Å; I783-L787 HydrophobicContact CG2-CG 4.01Å; I783-L787 PolarHBondContact O-N 3.16Å; S784-L787 PolarHBondContact O-N 3.07Å; S784-L787 VanDerWaalsContact O-N 3.1Å; P785-L787 VanDerWaalsContact C-N 3.33Å; P785-L787 PolarHBondContact O-N 3.3Å; L787-I790 PolarHBondContact O-N 2.9Å; L787-I791 WeakPolarHBondContact O-CB 3.23Å; L787-I791 WeakPolarHBondContact O-CG1 3.33Å; L787-I791 PolarHBondContact O-N 2.88Å
788	L	92.1	Very high	93.3	Very high	48 Å²	48	16.1 Å²	16.1	25%	0.251	9%	0.089	S	C	.	.	H	α-helix	trans	-66.3	-40.7	177.4	-171.3	68.7	0	0	0	111.2	S784 P785 I790 I791 A792 V794 F862 F866	S784-L788 PolarHBondContact O-N 2.84Å; P785-L788 PolarHBondContact O-N 2.83Å; L788-I790 VanDerWaalsContact C-N 3.3Å; L788-I790 PolarHBondContact O-N 3.19Å; L788-I791 PolarHBondContact O-N 3.06Å; L788-A792 HydrophobicContact CD1-CB 3.74Å; L788-A792 HydrophobicContact CG-CB 4.2Å; L788-A792 WeakPolarHBondContact O-CA 3.31Å; L788-A792 WeakPolarHBondContact O-CB 3.3Å; L788-A792 PolarHBondContact O-N 2.9Å; L788-V794 HydrophobicContact CD2-CG2 4.04Å; L788-V794 HydrophobicContact CG-CG2 3.87Å; L788-F862 HydrophobicContact CB-CE1 3.86Å; L788-F862 HydrophobicContact CB-CZ 3.87Å; L788-F862 HydrophobicContact CD2-CD1 3.61Å; L788-F862 HydrophobicContact CD2-CE1 3.23Å; L788-F862 HydrophobicContact CD2-CZ 3.94Å; L788-F862 HydrophobicContact CG-CE1 4.15Å; L788-F866 HydrophobicContact CD2-CZ 4.33Å
789	F	91.4	Very high	92.9	Very high	15 Å²	15	16.5 Å²	16.5	7%	0.066	9%	0.094	C	C	.	.	H	α-helix	trans	-56.5	-42.1	175.1	175.4	-105.1	0	0	0	112.4	F318 P785 F786 S793 V794 L796 R883	F318-F789 HydrophobicContact CD1-CE1 4.25Å; F318-F789 HydrophobicContact CE1-CD1 4.24Å; F318-F789 AromaticContact CE1-CE1 3.52Å; F318-F789 HydrophobicContact CE1-CE1 3.52Å; F318-F789 AromaticContact CZ-CE1 3.91Å; F318-F789 HydrophobicContact CZ-CE1 3.91Å; P785-F789 WeakPolarHBondContact O-CB 3.22Å; P785-F789 PolarHBondContact O-N 3.02Å; F786-F789 PolarHBondContact O-N 3.42Å; F789-S793 VanDerWaalsContact O-CA 3.28Å; F789-S793 WeakPolarHBondContact O-CA 3.39Å; F789-S793 PolarHBondContact O-N 3.41Å; F789-V794 WeakPolarHBondContact CD2-O 3.29Å; F789-L796 HydrophobicContact CB-CD1 4Å; F789-L796 HydrophobicContact CD1-CD1 4.23Å; F789-L796 HydrophobicContact CD2-CB 3.84Å; F789-L796 HydrophobicContact CD2-CD1 3.96Å; F789-L796 HydrophobicContact CE2-CB 3.88Å; F789-L796 HydrophobicContact CE2-CD1 4.45Å; F789-L796 HydrophobicContact CG-CD1 3.83Å; F789-R883 VanDerWaalsContact CE1-NH1 3.3Å; F789-R883 HydrophobicContact CE2-CG 3.85Å; F789-R883 VanDerWaalsContact CE2-NE 3.33Å; F789-R883 HydrophobicContact CZ-CG 4.34Å
790	I	89.2	Confident	92.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-75.5	-48.8	179.4	-63.6	163	0	0	0	111.5	F301 L308 Y310 F318 I322 F786 L787 L788	F301-I790 HydrophobicContact CD1-CD1 4.35Å; L308-I790 HydrophobicContact CD1-CG2 4.28Å; Y310-I790 HydrophobicContact CE2-CG2 4.12Å; Y310-I790 PolarHBondContact OH-O 2.87Å; F318-I790 HydrophobicContact CB-CD1 3.79Å; F318-I790 HydrophobicContact CB-CG1 4.47Å; F318-I790 HydrophobicContact CD2-CD1 3.92Å; F318-I790 HydrophobicContact CD2-CG1 3.75Å; F318-I790 HydrophobicContact CE2-CG1 4.15Å; F318-I790 HydrophobicContact CG-CD1 3.86Å; F318-I790 HydrophobicContact CG-CG1 3.99Å; I322-I790 HydrophobicContact CD1-CD1 4.02Å; F786-I790 WeakPolarHBondContact O-CD1 3.46Å; F786-I790 WeakPolarHBondContact O-CG1 3.28Å; F786-I790 PolarHBondContact O-N 2.99Å; L787-I790 PolarHBondContact O-N 2.9Å; L788-I790 VanDerWaalsContact C-N 3.3Å; L788-I790 PolarHBondContact O-N 3.19Å
791	I	90.9	Very high	92	Very high	99 Å²	99	20 Å²	20	51%	0.508	12%	0.116	S	C	.	.	H	α-helix	trans	-74.6	-48.9	-172.4	-66.2	170.3	0	0	0	111.6	F301 L304 L787 L788	F301-I791 HydrophobicContact CE1-CD1 3.7Å; F301-I791 HydrophobicContact CE1-CG1 4.06Å; F301-I791 HydrophobicContact CZ-CD1 4.17Å; L304-I791 HydrophobicContact CD2-CG1 4.16Å; L787-I791 WeakPolarHBondContact O-CB 3.23Å; L787-I791 WeakPolarHBondContact O-CG1 3.33Å; L787-I791 PolarHBondContact O-N 2.88Å; L788-I791 PolarHBondContact O-N 3.06Å
792	A	91.2	Very high	91.8	Very high	20 Å²	20	20.1 Å²	20.1	17%	0.165	12%	0.117	C	C	.	.	H	α-helix	trans	-94	-7.3	-173.8	0	0	0	0	0	113	L788 V794 L880 G881	L788-A792 HydrophobicContact CD1-CB 3.74Å; L788-A792 HydrophobicContact CG-CB 4.2Å; L788-A792 WeakPolarHBondContact O-CA 3.31Å; L788-A792 WeakPolarHBondContact O-CB 3.3Å; L788-A792 PolarHBondContact O-N 2.9Å; A792-V794 HydrophobicContact CB-CG1 3.91Å; A792-V794 PolarHBondContact O-N 2.97Å; A792-L880 HydrophobicContact CB-CD2 3.95Å; A792-G881 PolarHBondContact O-N 2.93Å; A792-G881 VanDerWaalsContact O-N 3.11Å
793	S	91.4	Very high	91.6	Very high	27 Å²	27	20.1 Å²	20.1	19%	0.189	12%	0.117	C	C	.	.			trans	50.6	45.8	-179.2	-60	0	0	0	0	112	Y310 F789 G881 I882 R883	Y310-S793 PolarHBondContact OH-OG 3.34Å; Y310-S793 VanDerWaalsContact OH-OG 3.1Å; F789-S793 VanDerWaalsContact O-CA 3.28Å; F789-S793 WeakPolarHBondContact O-CA 3.39Å; F789-S793 PolarHBondContact O-N 3.41Å; S793-G881 CarbonylContact O-C 3.52Å; S793-G881 WeakPolarHBondContact O-CA 3.27Å; S793-G881 PolarHBondContact O-N 2.9Å; S793-I882 PolarHBondContact O-N 3.34Å; S793-R883 VanDerWaalsContact C-CB 3.47Å; S793-R883 WeakPolarHBondContact O-CB 3.22Å; S793-R883 PolarHBondContact O-N 3.44Å
794	V	94.8	Very high	91.4	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.018	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-92.2	164.7	173.6	-62.4	0	0	0	0	109.9	L788 F789 A792 L879 L880	L788-V794 HydrophobicContact CD2-CG2 4.04Å; L788-V794 HydrophobicContact CG-CG2 3.87Å; F789-V794 WeakPolarHBondContact CD2-O 3.29Å; A792-V794 HydrophobicContact CB-CG1 3.91Å; A792-V794 PolarHBondContact O-N 2.97Å; V794-L879 HydrophobicContact CG1-CB 4.23Å; V794-L879 WeakPolarHBondContact CG1-O 3.25Å; V794-L880 HydrophobicContact CG1-CD2 4.48Å
795	P	94.2	Very high	91.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-55.4	149.1	169.5	-26	35.8	0	0	0	111.6	P797 Y865 I882 W886	P795-P797 WeakPolarHBondContact O-CD 3.21Å; P795-Y865 VanDerWaalsContact CD-OH 3.27Å; P795-Y865 WeakPolarHBondContact CD-OH 3.49Å; P795-Y865 PolarHBondContact O-OH 2.9Å; P795-I882 VanDerWaalsContact CD-CG2 3.49Å; P795-I882 HydrophobicContact CG-CG2 3.85Å; P795-W886 HydrophobicContact CB-CD2 4.05Å; P795-W886 HydrophobicContact CB-CG 4.22Å; P795-W886 HydrophobicContact CB-CZ2 4.21Å; P795-W886 HydrophobicContact CG-CD2 3.52Å; P795-W886 HydrophobicContact CG-CE3 3.74Å; P795-W886 HydrophobicContact CG-CG 3.86Å; P795-W886 HydrophobicContact CG-CH2 4.37Å; P795-W886 HydrophobicContact CG-CZ2 4.17Å; P795-W886 HydrophobicContact CG-CZ3 4.17Å
796	L	92.5	Very high	91.3	Very high	26 Å²	26	20.7 Å²	20.7	14%	0.136	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-63.7	121.1	-175.4	-176.1	63.6	0	0	0	109.9	F786 F789 L798 H915	F786-L796 HydrophobicContact CD1-CD1 4.27Å; F786-L796 HydrophobicContact CE1-CD1 4.21Å; F786-L796 HydrophobicContact CZ-CD1 4.5Å; F789-L796 HydrophobicContact CB-CD1 4Å; F789-L796 HydrophobicContact CD1-CD1 4.23Å; F789-L796 HydrophobicContact CD2-CB 3.84Å; F789-L796 HydrophobicContact CD2-CD1 3.96Å; F789-L796 HydrophobicContact CE2-CB 3.88Å; F789-L796 HydrophobicContact CE2-CD1 4.45Å; F789-L796 HydrophobicContact CG-CD1 3.83Å; L796-L798 WeakPolarHBondContact CG-O 3.44Å; L796-H915 PolarHBondContact O-CD2 3.1Å; L796-H915 PolarHBondContact O-NE2 3.05Å
797	P	94.9	Very high	91.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-77.3	-30.6	-176.7	-19.4	33.8	0	0	0	114.3	P785 P795 F862 Y865 H915 F918	P785-P797 HydrophobicContact CB-CB 4.01Å; P785-P797 HydrophobicContact CB-CG 4.15Å; P785-P797 HydrophobicContact CG-CB 4.48Å; P795-P797 WeakPolarHBondContact O-CD 3.21Å; P797-F862 HydrophobicContact CB-CE1 4.29Å; P797-F862 HydrophobicContact CG-CE1 3.98Å; P797-Y865 HydrophobicContact CB-CD2 3.66Å; P797-Y865 HydrophobicContact CB-CE2 3.89Å; P797-Y865 HydrophobicContact CB-CG 4.04Å; P797-Y865 HydrophobicContact CG-CD2 4.25Å; P797-Y865 HydrophobicContact CG-CE1 4.43Å; P797-Y865 HydrophobicContact CG-CE2 4.04Å; P797-H915 PolarHBondContact O-CD2 3.29Å; P797-F918 HydrophobicContact CB-CD2 3.94Å; P797-F918 HydrophobicContact CB-CE2 4Å
798	L	94.1	Very high	91.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-143.1	132.1	-179.1	-171.6	72.7	0	0	0	109.7	E782 P785 L796 T802 I803 F918 F919 I922	E782-L798 HydrophobicContact CB-CD2 4.33Å; E782-L798 HydrophobicContact CG-CD2 4.15Å; P785-L798 HydrophobicContact CB-CB 3.77Å; P785-L798 HydrophobicContact CG-CB 3.67Å; P785-L798 HydrophobicContact CG-CD2 4.3Å; L796-L798 WeakPolarHBondContact CG-O 3.44Å; L798-T802 WeakPolarHBondContact CD1-OG1 3.07Å; L798-T802 WeakPolarHBondContact CG-OG1 3.17Å; L798-I803 HydrophobicContact CD2-CD1 4.33Å; L798-I803 HydrophobicContact CD2-CG1 3.72Å; L798-I803 HydrophobicContact CG-CG1 4.25Å; L798-F918 HydrophobicContact CB-CD1 4.27Å; L798-F918 HydrophobicContact CB-CG 4.32Å; L798-F918 HydrophobicContact CD1-CB 4Å; L798-F918 HydrophobicContact CD1-CD1 3.97Å; L798-F918 HydrophobicContact CD1-CG 4.22Å; L798-F918 HydrophobicContact CD2-CD1 4.24Å; L798-F918 HydrophobicContact CD2-CE1 4.46Å; L798-F918 HydrophobicContact CG-CD1 4.39Å; L798-F919 HydrophobicContact CD1-CB 4.39Å; L798-I922 HydrophobicContact CD2-CD1 4.06Å
799	G	88.9	Confident	91.3	Very high	9 Å²	9	20.2 Å²	20.2	9%	0.093	12%	0.123	C	C	.	.			trans	-90	163.3	179.9	0	0	0	0	0	113.6	V801 T802 I803	G799-V801 PolarHBondContact O-N 2.87Å; G799-T802 PolarHBondContact N-OG1 3.45Å; G799-T802 VanDerWaalsContact N-OG1 3.11Å; G799-T802 PolarHBondContact O-N 3.34Å; G799-T802 PolarHBondContact O-OG1 2.68Å; G799-I803 WeakPolarHBondContact O-CG1 3.35Å; G799-I803 PolarHBondContact O-N 2.94Å
800	T	84.7	Confident	91.5	Very high	31 Å²	31	19.6 Å²	19.6	19%	0.19	12%	0.12	C	C	.	.	H	α-helix	trans	-66.9	-35	178.8	-44.6	0	0	0	0	113.1	L127 V324 T802 I803 L804	L127-T800 HydrophobicContact CD1-CG2 3.53Å; L127-T800 HydrophobicContact CD2-CG2 3.72Å; L127-T800 HydrophobicContact CG-CG2 4.28Å; V324-T800 HydrophobicContact CG1-CG2 4.01Å; T800-T802 VanDerWaalsContact C-N 3.3Å; T800-T802 PolarHBondContact O-N 2.82Å; T800-I803 WeakPolarHBondContact O-CB 3.29Å; T800-I803 PolarHBondContact O-N 2.96Å; T800-L804 PolarHBondContact O-N 3.39Å
801	V	87.2	Confident	91.8	Very high	67 Å²	67	19.7 Å²	19.7	41%	0.406	12%	0.121	S	C	.	.	H	α-helix	trans	-64.2	-38.1	176.4	177.5	0	0	0	0	111.1	G799 L804 C805 L974	G799-V801 PolarHBondContact O-N 2.87Å; V801-L804 PolarHBondContact O-N 3.14Å; V801-C805 PolarHBondContact O-N 2.94Å; V801-C805 VanDerWaalsContact O-N 3.14Å; V801-C805 PolarHBondContact O-SG 3.41Å; V801-L974 HydrophobicContact CG1-CB 4.15Å; V801-L974 HydrophobicContact CG1-CD2 3.82Å
802	T	91.6	Very high	91.9	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.018	11%	0.106	C	C	.	.	H	α-helix	trans	-69.4	-31.6	177.6	48.5	0	0	0	0	112.6	L798 G799 T800 C805 I806 H915 M976	L798-T802 WeakPolarHBondContact CD1-OG1 3.07Å; L798-T802 WeakPolarHBondContact CG-OG1 3.17Å; G799-T802 PolarHBondContact N-OG1 3.45Å; G799-T802 VanDerWaalsContact N-OG1 3.11Å; G799-T802 PolarHBondContact O-N 3.34Å; G799-T802 PolarHBondContact O-OG1 2.68Å; T800-T802 VanDerWaalsContact C-N 3.3Å; T800-T802 PolarHBondContact O-N 2.82Å; T802-C805 WeakPolarHBondContact O-CB 3.1Å; T802-C805 PolarHBondContact O-N 3.16Å; T802-I806 WeakPolarHBondContact O-CG1 3.36Å; T802-I806 PolarHBondContact O-N 3.41Å; T802-H915 HydrophobicContact CG2-CB 4.04Å; T802-M976 HydrophobicContact CG2-CE 3.7Å
803	I	91.1	Very high	92.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.7	-50.5	171.6	-67	173.6	0	0	0	110.1	A325 E782 F786 L798 G799 T800 C805 I806 D807	A325-I803 HydrophobicContact CB-CD1 3.93Å; E782-I803 HydrophobicContact CB-CD1 4.06Å; E782-I803 HydrophobicContact CB-CG1 4.04Å; E782-I803 HydrophobicContact CB-CG2 4.49Å; E782-I803 HydrophobicContact CG-CG1 4.09Å; E782-I803 HydrophobicContact CG-CG2 4.38Å; F786-I803 HydrophobicContact CE2-CD1 3.71Å; L798-I803 HydrophobicContact CD2-CD1 4.33Å; L798-I803 HydrophobicContact CD2-CG1 3.72Å; L798-I803 HydrophobicContact CG-CG1 4.25Å; G799-I803 WeakPolarHBondContact O-CG1 3.35Å; G799-I803 PolarHBondContact O-N 2.94Å; T800-I803 WeakPolarHBondContact O-CB 3.29Å; T800-I803 PolarHBondContact O-N 2.96Å; I803-C805 PolarHBondContact O-N 3.22Å; I803-C805 VanDerWaalsContact O-N 3.12Å; I803-I806 WeakPolarHBondContact O-CA 3.33Å; I803-I806 VanDerWaalsContact O-CB 3.32Å; I803-I806 WeakPolarHBondContact O-CB 3.39Å; I803-I806 PolarHBondContact O-N 3.07Å; I803-D807 WeakPolarHBondContact CG2-OD2 3.38Å; I803-D807 PolarHBondContact O-N 3.46Å; I803-D807 VanDerWaalsContact O-N 3.08Å
804	L	88.6	Confident	92.4	Very high	20 Å²	20	17 Å²	17	11%	0.105	10%	0.103	C	C	.	.	H	α-helix	trans	-59.9	-29.7	177.7	-65.4	171.4	0	0	0	113.2	L127 V130 L131 T800 V801 I806 L808	L127-L804 HydrophobicContact CD1-CD1 3.8Å; V130-L804 HydrophobicContact CG1-CD1 3.81Å; L131-L804 HydrophobicContact CD2-CD2 4.45Å; T800-L804 PolarHBondContact O-N 3.39Å; V801-L804 PolarHBondContact O-N 3.14Å; L804-I806 VanDerWaalsContact C-N 3.26Å; L804-I806 PolarHBondContact O-N 3.12Å; L804-L808 HydrophobicContact CD2-CD1 4.16Å; L804-L808 WeakPolarHBondContact O-CB 3.3Å; L804-L808 PolarHBondContact O-N 3.33Å; L804-L808 VanDerWaalsContact O-N 3.11Å
805	C	93	Very high	92.4	Very high	16 Å²	16	16.9 Å²	16.9	11%	0.108	10%	0.102	C	C	.	.	H	α-helix	trans	-68.9	-24.9	174	-65.3	0	0	0	0	112.9	V801 T802 I803 G809 T810 F919 L964 M976	V801-C805 PolarHBondContact O-N 2.94Å; V801-C805 VanDerWaalsContact O-N 3.14Å; V801-C805 PolarHBondContact O-SG 3.41Å; T802-C805 WeakPolarHBondContact O-CB 3.1Å; T802-C805 PolarHBondContact O-N 3.16Å; I803-C805 PolarHBondContact O-N 3.22Å; I803-C805 VanDerWaalsContact O-N 3.12Å; C805-G809 CarbonylContact O-C 3.54Å; C805-G809 WeakPolarHBondContact O-CA 3.3Å; C805-G809 PolarHBondContact O-N 3.49Å; C805-T810 PolarHBondContact O-N 2.98Å; C805-F919 HydrophobicContact CB-CD2 4.43Å; C805-F919 HydrophobicContact CB-CE2 3.92Å; C805-L964 HydrophobicContact CB-CD1 4.34Å; C805-M976 HydrophobicContact CB-CE 4.21Å
806	I	94	Very high	92.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-78.5	-63.7	175.4	-61.2	162.9	0	0	0	108.5	E782 T802 I803 L804 L808 G809 T810 D811 F919 I922	E782-I806 HydrophobicContact CG-CD1 4.23Å; E782-I806 WeakPolarHBondContact OE1-CG2 3.34Å; T802-I806 WeakPolarHBondContact O-CG1 3.36Å; T802-I806 PolarHBondContact O-N 3.41Å; I803-I806 WeakPolarHBondContact O-CA 3.33Å; I803-I806 VanDerWaalsContact O-CB 3.32Å; I803-I806 WeakPolarHBondContact O-CB 3.39Å; I803-I806 PolarHBondContact O-N 3.07Å; L804-I806 VanDerWaalsContact C-N 3.26Å; L804-I806 PolarHBondContact O-N 3.12Å; I806-L808 PolarHBondContact O-N 3.1Å; I806-G809 PolarHBondContact O-N 2.84Å; I806-T810 WeakPolarHBondContact CA-OG1 3.2Å; I806-T810 PolarHBondContact O-N 3.39Å; I806-D811 HydrophobicContact CG2-CB 4.45Å; I806-D811 PolarHBondContact O-N 3.45Å; I806-D811 VanDerWaalsContact O-N 3.1Å; I806-F919 HydrophobicContact CD1-CD2 3.99Å; I806-F919 HydrophobicContact CG1-CD2 3.49Å; I806-F919 VanDerWaalsContact CG1-CD2 3.49Å; I806-F919 HydrophobicContact CG1-CE2 3.7Å; I806-I922 HydrophobicContact CD1-CB 4.25Å; I806-I922 HydrophobicContact CD1-CD1 3.46Å; I806-I922 VanDerWaalsContact CD1-CD1 3.46Å; I806-I922 HydrophobicContact CD1-CG1 4.45Å; I806-I922 HydrophobicContact CD1-CG2 4.09Å; I806-I922 HydrophobicContact CG2-CG2 4.3Å
807	D	90.7	Very high	92.8	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	10%	0.103	C	C	.	.	I	π-helix	trans	-63.3	-37.9	-170.9	-70.8	-56.2	0	0	0	114.2	G330 I803	G330-D807 WeakPolarHBondContact CA-O 3.28Å; I803-D807 WeakPolarHBondContact CG2-OD2 3.38Å; I803-D807 PolarHBondContact O-N 3.46Å; I803-D807 VanDerWaalsContact O-N 3.08Å
808	L	89.8	Confident	92.9	Very high	64 Å²	64	17.1 Å²	17.1	34%	0.335	10%	0.103	S	C	.	.	I	π-helix	trans	-104.7	-1.4	-177.8	-58.8	171.4	0	0	0	113	V134 E329 L804 I806	V134-L808 HydrophobicContact CG1-CD1 4.36Å; V134-L808 HydrophobicContact CG1-CD2 4.4Å; V134-L808 HydrophobicContact CG2-CD1 3.41Å; V134-L808 VanDerWaalsContact CG2-CD1 3.41Å; E329-L808 HydrophobicContact CB-CD2 3.98Å; E329-L808 HydrophobicContact CB-CG 4.32Å; L804-L808 HydrophobicContact CD2-CD1 4.16Å; L804-L808 WeakPolarHBondContact O-CB 3.3Å; L804-L808 PolarHBondContact O-N 3.33Å; L804-L808 VanDerWaalsContact O-N 3.11Å; I806-L808 PolarHBondContact O-N 3.1Å
809	G	93.4	Very high	92.9	Very high	21 Å²	21	17.2 Å²	17.2	22%	0.216	10%	0.104	C	C	.	.	I	π-helix	trans	-122.8	-88.4	-174.3	0	0	0	0	0	112.2	C805 I806 D811	C805-G809 CarbonylContact O-C 3.54Å; C805-G809 WeakPolarHBondContact O-CA 3.3Å; C805-G809 PolarHBondContact O-N 3.49Å; I806-G809 PolarHBondContact O-N 2.84Å; G809-D811 PolarHBondContact O-N 2.95Å
810	T	95.7	Very high	93.2	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	12%	0.118	C	C	.	.	I	π-helix	trans	-63.8	-43.3	-169.1	54.6	0	0	0	0	112.6	C805 I806 M812 P814 F919 V923 L960 A961	C805-T810 PolarHBondContact O-N 2.98Å; I806-T810 WeakPolarHBondContact CA-OG1 3.2Å; I806-T810 PolarHBondContact O-N 3.39Å; T810-M812 PolarHBondContact O-N 3Å; T810-P814 WeakPolarHBondContact O-CD 3.49Å; T810-F919 HydrophobicContact CG2-CE2 3.94Å; T810-F919 HydrophobicContact CG2-CZ 3.62Å; T810-V923 HydrophobicContact CG2-CG2 3.99Å; T810-L960 HydrophobicContact CG2-CD2 4.29Å; T810-A961 HydrophobicContact CG2-CB 4.42Å
811	D	95.6	Very high	93.8	Very high	3 Å²	3	20 Å²	20	2%	0.016	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-14.8	-167.1	-73.7	26.9	0	0	0	113	Y774 I806 G809 V813 P814 A815 Q926	Y774-D811 HydrophobicContact CE1-CB 4.05Å; I806-D811 HydrophobicContact CG2-CB 4.45Å; I806-D811 PolarHBondContact O-N 3.45Å; I806-D811 VanDerWaalsContact O-N 3.1Å; G809-D811 PolarHBondContact O-N 2.95Å; D811-V813 PolarHBondContact O-N 2.8Å; D811-P814 WeakPolarHBondContact O-CD 3.5Å; D811-A815 WeakPolarHBondContact O-CB 3.44Å; D811-A815 PolarHBondContact O-N 3.19Å; D811-Q926 PolarHBondContact OD2-NE2 2.82Å
812	M	92.3	Very high	94.2	Very high	40 Å²	40	20 Å²	20	20%	0.197	11%	0.112	C	C	.	.	H	α-helix	trans	-57.7	-50.9	-178.8	-74.9	-70.3	-67.7	0	0	112.8	A333 T810 I816	A333-M812 HydrophobicContact CB-CE 4.29Å; T810-M812 PolarHBondContact O-N 3Å; M812-I816 HydrophobicContact CE-CD1 4.39Å; M812-I816 WeakPolarHBondContact O-CB 3.41Å; M812-I816 WeakPolarHBondContact O-CD1 3.43Å; M812-I816 WeakPolarHBondContact O-CG1 3.12Å; M812-I816 PolarHBondContact O-N 3.09Å
813	V	96.1	Very high	94.4	Very high	48 Å²	48	21.6 Å²	21.6	29%	0.291	13%	0.126	S	C	.	.	H	α-helix	trans	-71	-46.7	-175.9	-174.3	0	0	0	0	111.8	D811 A815 I816 S817 V956	D811-V813 PolarHBondContact O-N 2.8Å; V813-A815 PolarHBondContact O-N 3.15Å; V813-I816 PolarHBondContact O-N 3.08Å; V813-S817 WeakPolarHBondContact O-CB 3.4Å; V813-S817 PolarHBondContact O-N 2.81Å; V813-V956 HydrophobicContact CG2-CG1 4.27Å
814	P	97.2	Very high	94.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-56.1	-46.1	172	-26.7	35.8	0	0	0	113.3	Y774 T810 D811 S817 L818 V930 E957	Y774-P814 HydrophobicContact CE1-CB 3.81Å; Y774-P814 VanDerWaalsContact OH-CB 3.3Å; Y774-P814 WeakPolarHBondContact OH-CB 3.35Å; T810-P814 WeakPolarHBondContact O-CD 3.49Å; D811-P814 WeakPolarHBondContact O-CD 3.5Å; P814-S817 WeakPolarHBondContact O-CB 3.3Å; P814-S817 PolarHBondContact O-N 2.97Å; P814-S817 VanDerWaalsContact O-N 3.14Å; P814-S817 PolarHBondContact O-OG 2.67Å; P814-L818 PolarHBondContact O-N 2.6Å; P814-V930 HydrophobicContact CB-CG2 4.02Å; P814-E957 HydrophobicContact CG-CB 4.05Å; P814-E957 HydrophobicContact CG-CG 4.15Å
815	A	96	Very high	94.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-48.4	179.1	0	0	0	0	0	111.8	T334 S771 Y774 D811 V813 S817 L818	T334-A815 HydrophobicContact CG2-CB 3.8Å; S771-A815 PolarHBondContact OG-O 3.35Å; Y774-A815 HydrophobicContact CD1-CB 3.76Å; Y774-A815 HydrophobicContact CE1-CB 3.94Å; D811-A815 WeakPolarHBondContact O-CB 3.44Å; D811-A815 PolarHBondContact O-N 3.19Å; V813-A815 PolarHBondContact O-N 3.15Å; A815-S817 PolarHBondContact O-N 2.61Å; A815-L818 WeakPolarHBondContact O-CB 3.47Å; A815-L818 PolarHBondContact O-N 3.23Å
816	I	95.6	Very high	94.9	Very high	32 Å²	32	29.4 Å²	29.4	16%	0.164	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-35	175.8	-69.1	164.8	0	0	0	111.3	T334 V337 L341 M812 V813 L818 A819	T334-I816 HydrophobicContact CG2-CG1 3.79Å; V337-I816 HydrophobicContact CB-CD1 4.27Å; V337-I816 HydrophobicContact CB-CG1 4.32Å; V337-I816 HydrophobicContact CG1-CD1 4.02Å; V337-I816 HydrophobicContact CG1-CG1 4.12Å; V337-I816 HydrophobicContact CG1-CG2 3.73Å; V337-I816 HydrophobicContact CG2-CD1 4.44Å; L341-I816 HydrophobicContact CD1-CG2 3.9Å; M812-I816 HydrophobicContact CE-CD1 4.39Å; M812-I816 WeakPolarHBondContact O-CB 3.41Å; M812-I816 WeakPolarHBondContact O-CD1 3.43Å; M812-I816 WeakPolarHBondContact O-CG1 3.12Å; M812-I816 PolarHBondContact O-N 3.09Å; V813-I816 PolarHBondContact O-N 3.08Å; I816-L818 PolarHBondContact O-N 3.05Å; I816-A819 VanDerWaalsContact O-CB 3.3Å; I816-A819 WeakPolarHBondContact O-CB 3.26Å; I816-A819 PolarHBondContact O-N 3.44Å; I816-A819 VanDerWaalsContact O-N 3.14Å
817	S	97.4	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-26.5	-178.8	84.5	0	0	0	0	113.5	V813 P814 A815 A819 Y820 N947 L950	V813-S817 WeakPolarHBondContact O-CB 3.4Å; V813-S817 PolarHBondContact O-N 2.81Å; P814-S817 WeakPolarHBondContact O-CB 3.3Å; P814-S817 PolarHBondContact O-N 2.97Å; P814-S817 VanDerWaalsContact O-N 3.14Å; P814-S817 PolarHBondContact O-OG 2.67Å; A815-S817 PolarHBondContact O-N 2.61Å; S817-A819 PolarHBondContact O-N 3.11Å; S817-Y820 WeakPolarHBondContact O-CB 3.39Å; S817-Y820 PolarHBondContact O-N 2.67Å; S817-Y820 VanDerWaalsContact O-N 3.11Å; S817-N947 PolarHBondContact O-ND2 3.39Å; S817-L950 VanDerWaalsContact CB-CA 3.5Å; S817-L950 VanDerWaalsContact OG-CA 3.29Å; S817-L950 WeakPolarHBondContact OG-CA 2.97Å; S817-L950 WeakPolarHBondContact OG-CB 3.23Å
818	L	97.2	Very high	95.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-67.2	-20.7	177.6	-69.1	167.2	0	0	0	112.2	K770 Y774 P814 A815 I816 Y820 E821 V930 C933 L950	K770-L818 HydrophobicContact CB-CD1 4.48Å; Y774-L818 HydrophobicContact CD1-CD1 4.44Å; Y774-L818 HydrophobicContact CG-CD1 4.15Å; P814-L818 PolarHBondContact O-N 2.6Å; A815-L818 WeakPolarHBondContact O-CB 3.47Å; A815-L818 PolarHBondContact O-N 3.23Å; I816-L818 PolarHBondContact O-N 3.05Å; L818-Y820 PolarHBondContact O-N 3.49Å; L818-E821 HydrophobicContact CD2-CG 4.32Å; L818-E821 WeakPolarHBondContact O-CB 3.13Å; L818-E821 WeakPolarHBondContact O-CG 3.41Å; L818-E821 PolarHBondContact O-N 3.31Å; L818-V930 HydrophobicContact CD1-CG2 4.32Å; L818-V930 HydrophobicContact CD2-CG2 4.21Å; L818-V930 HydrophobicContact CG-CG2 4.25Å; L818-C933 HydrophobicContact CD1-CB 4.39Å; L818-L950 HydrophobicContact CD2-CD1 3.92Å
819	A	94.8	Very high	95.3	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-64.2	-24.1	172.1	0	0	0	0	0	113.6	C338 R345 I764 N767 I816 S817 E821	C338-A819 HydrophobicContact CB-CB 3.82Å; R345-A819 PolarHBondContact NH2-O 2.78Å; I764-A819 HydrophobicContact CD1-CB 4.33Å; N767-A819 PolarHBondContact ND2-O 3.23Å; I816-A819 VanDerWaalsContact O-CB 3.3Å; I816-A819 WeakPolarHBondContact O-CB 3.26Å; I816-A819 PolarHBondContact O-N 3.44Å; I816-A819 VanDerWaalsContact O-N 3.14Å; S817-A819 PolarHBondContact O-N 3.11Å; A819-E821 VanDerWaalsContact C-N 3.28Å
820	Y	96.1	Very high	95.3	Very high	96 Å²	96	38 Å²	38	38%	0.376	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-84.4	1.3	178.1	-72.7	-89.3	0	0	0	113.7	L341 S817 L818 I949	L341-Y820 HydrophobicContact CD1-CD2 4.35Å; L341-Y820 HydrophobicContact CD1-CE2 3.47Å; L341-Y820 VanDerWaalsContact CD1-CE2 3.47Å; L341-Y820 VanDerWaalsContact CD2-OH 3.3Å; L341-Y820 WeakPolarHBondContact CD2-OH 3.03Å; L341-Y820 HydrophobicContact CG-CE2 4.5Å; S817-Y820 WeakPolarHBondContact O-CB 3.39Å; S817-Y820 PolarHBondContact O-N 2.67Å; S817-Y820 VanDerWaalsContact O-N 3.11Å; L818-Y820 PolarHBondContact O-N 3.49Å; Y820-I949 HydrophobicContact CD1-CG1 4.26Å; Y820-I949 HydrophobicContact CD2-CB 4.12Å; Y820-I949 HydrophobicContact CD2-CG1 4.05Å; Y820-I949 HydrophobicContact CD2-CG2 4.03Å; Y820-I949 HydrophobicContact CE1-CG1 4.38Å; Y820-I949 HydrophobicContact CE2-CB 4.46Å; Y820-I949 HydrophobicContact CE2-CG1 4.16Å; Y820-I949 HydrophobicContact CE2-CG2 4.07Å; Y820-I949 HydrophobicContact CG-CB 4.41Å; Y820-I949 HydrophobicContact CG-CG1 4.08Å
821	E	97.2	Very high	95.3	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.014	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-64.2	140.9	177	-76.3	-57.3	137.8	0	0	112.3	N767 L818 A819 K934 N947	N767-E821 PolarHBondContact ND2-O 2.74Å; L818-E821 HydrophobicContact CD2-CG 4.32Å; L818-E821 WeakPolarHBondContact O-CB 3.13Å; L818-E821 WeakPolarHBondContact O-CG 3.41Å; L818-E821 PolarHBondContact O-N 3.31Å; A819-E821 VanDerWaalsContact C-N 3.28Å; E821-K934 VanDerWaalsContact CD-CG 3.48Å; E821-K934 HydrophobicContact CG-CG 4.25Å; E821-K934 IonicContact OE1-NZ 3.39Å; E821-K934 PolarHBondContact OE1-NZ 3.48Å; E821-K934 IonicContact OE2-NZ 2.78Å; E821-K934 PolarHBondContact OE2-NZ 3.35Å; E821-N947 WeakPolarHBondContact OE1-CB 3.24Å; E821-N947 PolarHBondContact OE1-ND2 2.78Å
822	S	95.7	Very high	95.2	Very high	68 Å²	68	45 Å²	45	48%	0.476	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-83.5	161.2	174	62.1	0	0	0	0	110.7	Q943	S822-Q943 PolarHBondContact OG-NE2 3.46Å
823	A	95.6	Very high	95.3	Very high	36 Å²	36	44.5 Å²	44.5	30%	0.298	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-56.7	144.2	175.8	0	0	0	0	0	111.8	L763 S825 I827 Q943	L763-A823 HydrophobicContact CD1-CB 4.15Å; A823-S825 WeakPolarHBondContact CB-O 3.22Å; A823-I827 HydrophobicContact CB-CD1 4.2Å; A823-I827 HydrophobicContact CB-CG1 4.33Å; A823-I827 HydrophobicContact CB-CG2 4.07Å; A823-Q943 PolarHBondContact O-NE2 3.3Å
824	E	94.6	Very high	95.1	Very high	36 Å²	36	44.6 Å²	44.6	17%	0.168	23%	0.228	C	C	.	.	S	Bend	trans	-86.2	-21.7	175.8	-72.8	179.7	-123	0	0	112.3	K770 T935 R936 R937 N938	K770-E824 WeakPolarHBondContact CE-OE1 3.39Å; K770-E824 IonicContact NZ-OE1 3.77Å; K770-E824 PolarHBondContact NZ-OE1 3Å; E824-T935 WeakPolarHBondContact OE1-CA 3.42Å; E824-R936 PolarHBondContact OE1-N 3.02Å; E824-R936 PolarHBondContact OE2-N 3.41Å; E824-R936 VanDerWaalsContact OE2-N 3.12Å; E824-R937 PolarHBondContact OE2-N 2.79Å; E824-N938 HydrophobicContact CG-CB 4.44Å; E824-N938 PolarHBondContact O-ND2 2.87Å; E824-N938 PolarHBondContact OE2-N 2.83Å
825	S	93.7	Very high	94.8	Very high	80 Å²	80	46.1 Å²	46.1	56%	0.559	24%	0.238	S	C	*	.	S	Bend	trans	-147.7	177.5	178.7	63.2	0	0	0	0	109.8	A823 I827	A823-S825 WeakPolarHBondContact CB-O 3.22Å; S825-I827 PolarHBondContact O-N 3.22Å
826	D	93.5	Very high	94.5	Very high	84 Å²	84	52.3 Å²	52.3	45%	0.449	27%	0.265	S	S	.	.			trans	-71.6	90.1	174.7	-169.7	-16	0	0	0	110.5	M828 K829	D826-M828 PolarHBondContact O-N 3.27Å; D826-M828 PolarHBondContact OD1-N 3.35Å; D826-K829 HydrophobicContact CB-CB 4.48Å; D826-K829 HydrophobicContact CB-CD 4.12Å; D826-K829 HydrophobicContact CB-CG 4.32Å; D826-K829 PolarHBondContact O-N 2.93Å; D826-K829 VanDerWaalsContact O-N 3.13Å; D826-K829 VanDerWaalsContact OD2-CD 3.22Å; D826-K829 WeakPolarHBondContact OD2-CD 3.34Å; D826-K829 WeakPolarHBondContact OD2-CE 3.39Å; D826-K829 WeakPolarHBondContact OD2-CG 3.47Å; D826-K829 IonicContact OD2-NZ 3.76Å; D826-K829 PolarHBondContact OD2-NZ 2.72Å
827	I	94.3	Very high	94.2	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.031	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.8	-178.5	58.2	175.7	0	0	0	113.3	E759 R762 L763 A823 S825 R830	E759-I827 HydrophobicContact CG-CD1 3.79Å; E759-I827 HydrophobicContact CG-CG1 4.14Å; E759-I827 VanDerWaalsContact O-CD1 3.3Å; E759-I827 WeakPolarHBondContact O-CD1 3.05Å; R762-I827 HydrophobicContact CB-CB 4.48Å; R762-I827 HydrophobicContact CB-CD1 4.04Å; R762-I827 WeakPolarHBondContact CD-O 3.42Å; R762-I827 PolarHBondContact NH1-O 2.93Å; L763-I827 HydrophobicContact CB-CD1 3.96Å; A823-I827 HydrophobicContact CB-CD1 4.2Å; A823-I827 HydrophobicContact CB-CG1 4.33Å; A823-I827 HydrophobicContact CB-CG2 4.07Å; S825-I827 PolarHBondContact O-N 3.22Å; I827-R830 WeakPolarHBondContact O-CG 3.21Å
828	M	94.9	Very high	93.9	Very high	26 Å²	26	58.7 Å²	58.7	13%	0.128	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.5	175.3	-65.5	-56.6	-69.5	0	0	112.9	A603 V755 V758 E759 D826	A603-M828 WeakPolarHBondContact CA-O 3.08Å; A603-M828 HydrophobicContact CB-CE 4Å; A603-M828 WeakPolarHBondContact CB-O 3.05Å; A603-M828 PolarHBondContact N-O 3.21Å; V755-M828 HydrophobicContact CG1-CE 3.64Å; V758-M828 HydrophobicContact CB-CE 4.39Å; V758-M828 HydrophobicContact CG1-CE 4.12Å; V758-M828 HydrophobicContact CG1-SD 4.08Å; E759-M828 HydrophobicContact CB-CG 4.24Å; E759-M828 HydrophobicContact CB-SD 3.76Å; E759-M828 HydrophobicContact CG-CG 4.19Å; E759-M828 HydrophobicContact CG-SD 4.27Å; D826-M828 PolarHBondContact O-N 3.27Å; D826-M828 PolarHBondContact OD1-N 3.35Å
829	K	94.3	Very high	93.8	Very high	156 Å²	156	60.6 Å²	60.6	68%	0.678	31%	0.311	S	S	*	.	S	Bend	trans	-98.5	-14.3	172.5	-73.6	-178.8	179.8	164.7	0	114.8	D826	D826-K829 HydrophobicContact CB-CB 4.48Å; D826-K829 HydrophobicContact CB-CD 4.12Å; D826-K829 HydrophobicContact CB-CG 4.32Å; D826-K829 PolarHBondContact O-N 2.93Å; D826-K829 VanDerWaalsContact O-N 3.13Å; D826-K829 VanDerWaalsContact OD2-CD 3.22Å; D826-K829 WeakPolarHBondContact OD2-CD 3.34Å; D826-K829 WeakPolarHBondContact OD2-CE 3.39Å; D826-K829 WeakPolarHBondContact OD2-CG 3.47Å; D826-K829 IonicContact OD2-NZ 3.76Å; D826-K829 PolarHBondContact OD2-NZ 2.72Å
830	R	93.4	Very high	93.8	Very high	80 Å²	80	60.6 Å²	60.6	30%	0.302	31%	0.311	S	S	.	.	S	Bend	trans	-82.4	153.5	176.5	67.9	176.9	-176.6	-163.1	0.1	111	A603 R762 D766 I827	A603-R830 CarbonylContact C-O 3.54Å; R762-R830 PolarHBondContact NH1-O 3.3Å; R762-R830 PolarHBondContact O-NH2 3.39Å; D766-R830 IonicContact OD1-NH1 3.18Å; D766-R830 IonicContact OD1-NH2 2.78Å; D766-R830 IonicContact OD2-CZ 2.66Å; D766-R830 IonicContact OD2-NH1 3.93Å; D766-R830 PolarHBondContact OD2-NH1 3.1Å; D766-R830 IonicContact OD2-NH2 2.64Å; D766-R830 PolarHBondContact OD2-NH2 3.39Å; I827-R830 WeakPolarHBondContact O-CG 3.21Å
831	Q	94.9	Very high	93.7	Very high	129 Å²	129	56 Å²	56	60%	0.603	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-63.9	156.7	171.2	-65.2	-65	-40.3	0	0	110.9	G604	G604-Q831 VanDerWaalsContact CA-OE1 3.28Å
832	P	95.2	Very high	93.6	Very high	22 Å²	22	57.3 Å²	57.3	14%	0.143	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-56	145.3	168.6	-20.7	33.8	0	0	0	110.4	T365 A603 I605	T365-P832 WeakPolarHBondContact O-CB 3.28Å; A603-P832 WeakPolarHBondContact O-CD 3.23Å; I605-P832 HydrophobicContact CG1-CG 4.05Å
833	R	93.8	Very high	93.4	Very high	29 Å²	29	62.3 Å²	62.3	11%	0.109	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-64	147.4	178.3	74.7	170.5	179.4	104.1	-2.3	110.3	E282 E360 S364 P835 D838	E282-R833 IonicContact OE1-CZ 3.47Å; E282-R833 IonicContact OE1-NH1 2.69Å; E282-R833 PolarHBondContact OE1-NH1 3.36Å; E360-R833 IonicContact OE1-CZ 3.76Å; E360-R833 IonicContact OE1-NE 3.13Å; E360-R833 PolarHBondContact OE1-NE 2.99Å; E360-R833 IonicContact OE1-NH2 2.87Å; E360-R833 PolarHBondContact OE1-NH2 3.45Å; S364-R833 PolarHBondContact OG-NE 3.17Å; S364-R833 PolarHBondContact OG-NH2 2.98Å; R833-P835 WeakPolarHBondContact O-CD 3.45Å; R833-D838 HydrophobicContact CB-CB 3.98Å; R833-D838 PolarHBondContact NH1-O 3.3Å
834	N	92.5	Very high	93.4	Very high	51 Å²	51	65.2 Å²	65.2	27%	0.273	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-86.2	116.3	171.1	178.8	-23.3	0	0	0	109.2	K836 T837 D838	N834-K836 PolarHBondContact O-N 3.25Å; N834-K836 WeakPolarHBondContact OD1-CB 3.22Å; N834-K836 PolarHBondContact OD1-N 3.48Å; N834-T837 WeakPolarHBondContact CB-OG1 3.23Å; N834-T837 PolarHBondContact O-N 2.89Å; N834-D838 PolarHBondContact N-OD2 3.44Å; N834-D838 WeakPolarHBondContact O-CB 3.13Å; N834-D838 PolarHBondContact O-N 2.85Å
835	P	90.3	Very high	93.5	Very high	32 Å²	32	63.5 Å²	63.5	21%	0.208	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.2	-174.4	27.4	-35.6	0	0	0	113.6	I707 R833 K839	I707-P835 HydrophobicContact CD1-CG 4.32Å; I707-P835 HydrophobicContact CG1-CG 4.4Å; R833-P835 WeakPolarHBondContact O-CD 3.45Å; P835-K839 WeakPolarHBondContact O-CE 3.45Å; P835-K839 PolarHBondContact O-NZ 2.68Å
836	K	88.9	Confident	93.6	Very high	131 Å²	131	61.2 Å²	61.2	57%	0.57	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-34	177.1	-62.5	-177.3	-178.8	178.3	0	112.7	A703 Q704 N834 K839	A703-K836 PolarHBondContact O-NZ 3.38Å; Q704-K836 WeakPolarHBondContact O-CE 3.45Å; N834-K836 PolarHBondContact O-N 3.25Å; N834-K836 WeakPolarHBondContact OD1-CB 3.22Å; N834-K836 PolarHBondContact OD1-N 3.48Å; K836-K839 WeakPolarHBondContact O-CE 3.3Å
837	T	89.9	Confident	93.7	Very high	90 Å²	90	59.4 Å²	59.4	55%	0.552	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-43.6	-174.5	56.6	0	0	0	0	112.6	N834 K839	N834-T837 WeakPolarHBondContact CB-OG1 3.23Å; N834-T837 PolarHBondContact O-N 2.89Å; T837-K839 PolarHBondContact O-N 2.88Å
838	D	92.1	Very high	93.8	Very high	75 Å²	75	59.4 Å²	59.4	40%	0.401	29%	0.286	S	S	.	.	S	Bend	trans	-90.4	75.2	-172.7	-56.5	-38.1	0	0	0	110.1	R833 N834	R833-D838 HydrophobicContact CB-CB 3.98Å; R833-D838 PolarHBondContact NH1-O 3.3Å; N834-D838 PolarHBondContact N-OD2 3.44Å; N834-D838 WeakPolarHBondContact O-CB 3.13Å; N834-D838 PolarHBondContact O-N 2.85Å
839	K	94.1	Very high	93.8	Very high	40 Å²	40	58.2 Å²	58.2	17%	0.174	28%	0.281	C	S	.	.			trans	-75.3	153.8	179.3	-60.1	-53.5	-166.1	175.1	0	112.7	E282 K769 P835 K836 T837	E282-K839 WeakPolarHBondContact OE1-CD 3.17Å; E282-K839 IonicContact OE1-NZ 2.8Å; E282-K839 PolarHBondContact OE1-NZ 2.71Å; E282-K839 VanDerWaalsContact OE2-CA 3.27Å; E282-K839 WeakPolarHBondContact OE2-CA 3.24Å; E282-K839 WeakPolarHBondContact OE2-CD 3.45Å; K769-K839 WeakPolarHBondContact CE-O 3.1Å; K769-K839 PolarHBondContact NZ-O 3.32Å; P835-K839 WeakPolarHBondContact O-CE 3.45Å; P835-K839 PolarHBondContact O-NZ 2.68Å; K836-K839 WeakPolarHBondContact O-CE 3.3Å; T837-K839 PolarHBondContact O-N 2.88Å
840	L	94.6	Very high	93.8	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	25%	0.252	C	S	.	.	S	Bend	trans	-64.9	-48.5	174.2	-177.2	66.9	0	0	0	110.3	I279 E282 F765 L768 K769 I772	I279-L840 HydrophobicContact CD1-CD2 3.93Å; E282-L840 HydrophobicContact CB-CB 3.72Å; E282-L840 HydrophobicContact CB-CD2 4.13Å; E282-L840 HydrophobicContact CG-CB 4.07Å; E282-L840 PolarHBondContact OE2-N 2.73Å; F765-L840 HydrophobicContact CD2-CD1 4.03Å; F765-L840 HydrophobicContact CE2-CB 4.02Å; F765-L840 HydrophobicContact CE2-CD1 3.84Å; F765-L840 HydrophobicContact CZ-CB 4.23Å; F765-L840 HydrophobicContact CZ-CD1 4.25Å; L768-L840 HydrophobicContact CB-CD1 3.99Å; K769-L840 VanDerWaalsContact CE-O 3.26Å; K769-L840 WeakPolarHBondContact CE-O 3.41Å; K769-L840 HydrophobicContact CG-CD1 3.84Å; K769-L840 WeakPolarHBondContact CG-O 3.36Å; I772-L840 HydrophobicContact CD1-CD1 4.23Å; I772-L840 HydrophobicContact CD1-CD2 3.6Å; I772-L840 HydrophobicContact CD1-CG 3.8Å
841	V	94.8	Very high	93.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-115.8	118.7	172.2	-179.4	0	0	0	0	108.1	F286 I772 L845 I846	F286-V841 HydrophobicContact CB-CB 4.23Å; F286-V841 HydrophobicContact CB-CG2 4.01Å; F286-V841 HydrophobicContact CD2-CB 3.99Å; F286-V841 HydrophobicContact CD2-CG1 4.05Å; F286-V841 HydrophobicContact CD2-CG2 3.56Å; F286-V841 HydrophobicContact CE2-CG2 4.27Å; F286-V841 HydrophobicContact CG-CB 4.47Å; F286-V841 HydrophobicContact CG-CG2 3.92Å; I772-V841 HydrophobicContact CD1-CG2 4.34Å; I772-V841 HydrophobicContact CG2-CG2 3.77Å; V841-L845 HydrophobicContact CG1-CD2 4.34Å; V841-I846 HydrophobicContact CG1-CD1 3.9Å; V841-I846 HydrophobicContact CG1-CG1 4.24Å
842	N	93.9	Very high	94	Very high	30 Å²	30	46 Å²	46	16%	0.16	24%	0.241	C	C	.	.			trans	-121	170.2	178.9	59	18.6	0	0	0	110.1	R844 L845 I846 Y1019	N842-R844 PolarHBondContact O-N 3.13Å; N842-R844 PolarHBondContact OD1-N 2.84Å; N842-L845 WeakPolarHBondContact O-CB 3.39Å; N842-L845 PolarHBondContact O-N 3.22Å; N842-L845 WeakPolarHBondContact OD1-CB 3.42Å; N842-L845 PolarHBondContact OD1-N 3.41Å; N842-I846 PolarHBondContact O-N 2.83Å; N842-Y1019 PolarHBondContact ND2-OXT 2.92Å
843	E	93.1	Very high	94.2	Very high	174 Å²	174	45.1 Å²	45.1	81%	0.813	24%	0.235	S	C	*	.	H	α-helix	trans	-58.2	-31.2	179.9	-62	175.3	-177.9	0	0	112.4	I846 S847	E843-I846 PolarHBondContact O-N 2.62Å; E843-S847 VanDerWaalsContact O-CB 3.32Å; E843-S847 WeakPolarHBondContact O-CB 3.29Å; E843-S847 PolarHBondContact O-N 2.87Å
844	R	95.3	Very high	94.3	Very high	96 Å²	96	43.7 Å²	43.7	36%	0.362	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-40.2	176.3	-57.4	177	-178.2	169.2	-1.5	112.1	N842 S847 M848 Q1015 Y1018	N842-R844 PolarHBondContact O-N 3.13Å; N842-R844 PolarHBondContact OD1-N 2.84Å; R844-S847 PolarHBondContact O-N 3.38Å; R844-M848 PolarHBondContact O-N 3.38Å; R844-Q1015 PolarHBondContact NE-O 3.16Å; R844-Q1015 PolarHBondContact NH2-O 2.82Å; R844-Y1018 WeakPolarHBondContact CD-O 3.22Å; R844-Y1018 PolarHBondContact NH1-O 3.37Å
845	L	96.4	Very high	94.6	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-47.3	176.3	-165.8	153.1	0	0	0	109.8	K769 A773 L776 V841 N842 M848 A849 Y1019	K769-L845 HydrophobicContact CB-CD1 4.49Å; A773-L845 HydrophobicContact CB-CD1 4.26Å; A773-L845 HydrophobicContact CB-CD2 4.11Å; A773-L845 HydrophobicContact CB-CG 4.09Å; L776-L845 HydrophobicContact CD1-CD2 3.84Å; V841-L845 HydrophobicContact CG1-CD2 4.34Å; N842-L845 WeakPolarHBondContact O-CB 3.39Å; N842-L845 PolarHBondContact O-N 3.22Å; N842-L845 WeakPolarHBondContact OD1-CB 3.42Å; N842-L845 PolarHBondContact OD1-N 3.41Å; L845-M848 PolarHBondContact O-N 3.18Å; L845-A849 HydrophobicContact CD2-CB 4.45Å; L845-A849 WeakPolarHBondContact O-CB 3.44Å; L845-A849 PolarHBondContact O-N 3.26Å; L845-Y1019 HydrophobicContact CB-CG 4.25Å; L845-Y1019 HydrophobicContact CD1-CD2 3.99Å; L845-Y1019 HydrophobicContact CG-CD2 4.09Å; L845-Y1019 HydrophobicContact CG-CG 4.26Å
846	I	94.9	Very high	95	Very high	31 Å²	31	45.6 Å²	45.6	16%	0.159	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-42.2	177.2	-56.8	-58.1	0	0	0	110.9	I290 L776 V841 N842 E843 M848 Y850 G851	I290-I846 HydrophobicContact CD1-CD1 4.42Å; L776-I846 HydrophobicContact CD1-CD1 4.13Å; V841-I846 HydrophobicContact CG1-CD1 3.9Å; V841-I846 HydrophobicContact CG1-CG1 4.24Å; N842-I846 PolarHBondContact O-N 2.83Å; E843-I846 PolarHBondContact O-N 2.62Å; I846-M848 VanDerWaalsContact C-N 3.32Å; I846-M848 PolarHBondContact O-N 3.46Å; I846-Y850 HydrophobicContact CG2-CD2 4.42Å; I846-Y850 HydrophobicContact CG2-CG 4.2Å; I846-Y850 WeakPolarHBondContact O-CA 3.38Å; I846-Y850 VanDerWaalsContact O-CB 3.3Å; I846-Y850 WeakPolarHBondContact O-CB 3.2Å; I846-Y850 PolarHBondContact O-N 3.16Å; I846-G851 PolarHBondContact O-N 3.28Å
847	S	95.6	Very high	95.4	Very high	46 Å²	46	39.4 Å²	39.4	32%	0.322	21%	0.209	S	C	.	.	H	α-helix	trans	-58.5	-43	176.1	-179.9	0	0	0	0	112.3	E843 R844 G851 Q852	E843-S847 VanDerWaalsContact O-CB 3.32Å; E843-S847 WeakPolarHBondContact O-CB 3.29Å; E843-S847 PolarHBondContact O-N 2.87Å; R844-S847 PolarHBondContact O-N 3.38Å; S847-G851 CarbonylContact O-C 3.6Å; S847-G851 WeakPolarHBondContact O-CA 3.42Å; S847-G851 PolarHBondContact O-N 3.23Å; S847-G851 VanDerWaalsContact O-N 3.16Å; S847-Q852 WeakPolarHBondContact O-CG 3.37Å; S847-Q852 PolarHBondContact O-N 3.42Å; S847-Q852 PolarHBondContact O-NE2 3.25Å; S847-Q852 PolarHBondContact OG-NE2 2.68Å
848	M	96.4	Very high	95.8	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.03	18%	0.184	C	C	.	.	H	α-helix	trans	-70.6	-53.1	176.9	-79.9	-62.1	-56.6	0	0	112.6	R844 L845 I846 Q852 I853 R1001 T1017 Y1019	R844-M848 PolarHBondContact O-N 3.38Å; L845-M848 PolarHBondContact O-N 3.18Å; I846-M848 VanDerWaalsContact C-N 3.32Å; I846-M848 PolarHBondContact O-N 3.46Å; M848-Q852 WeakPolarHBondContact O-CB 3.32Å; M848-Q852 PolarHBondContact O-N 3.08Å; M848-Q852 PolarHBondContact SD-OE1 3.39Å; M848-I853 HydrophobicContact CE-CD1 4.4Å; M848-I853 HydrophobicContact CE-CG1 4.3Å; M848-I853 PolarHBondContact O-N 3.47Å; M848-R1001 VanDerWaalsContact CE-NE 3.34Å; M848-T1017 WeakPolarHBondContact CG-O 3.32Å; M848-T1017 VanDerWaalsContact SD-CB 3.55Å; M848-T1017 HydrophobicContact SD-CG2 3.91Å; M848-Y1019 HydrophobicContact CB-CD1 4.12Å; M848-Y1019 HydrophobicContact CB-CE1 4.26Å; M848-Y1019 HydrophobicContact CG-CD1 3.94Å; M848-Y1019 HydrophobicContact CG-CE1 4.25Å
849	A	95.9	Very high	96.1	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	19%	0.19	C	C	.	.	I	π-helix	trans	-70.4	-60.8	-175.4	0	0	0	0	0	111	L776 L845 G854	L776-A849 HydrophobicContact CB-CB 4.34Å; L845-A849 HydrophobicContact CD2-CB 4.45Å; L845-A849 WeakPolarHBondContact O-CB 3.44Å; L845-A849 PolarHBondContact O-N 3.26Å; A849-G854 WeakPolarHBondContact O-CA 3.15Å; A849-G854 PolarHBondContact O-N 3.41Å
850	Y	94.4	Very high	96.2	Very high	20 Å²	20	34.5 Å²	34.5	8%	0.078	18%	0.181	C	C	.	.	I	π-helix	trans	-76.9	-45.2	-176.1	-80.7	34.8	0	0	0	112.2	V293 L776 N779 I780 I846	V293-Y850 HydrophobicContact CG1-CE2 4.26Å; L776-Y850 HydrophobicContact CB-CD1 4.38Å; L776-Y850 HydrophobicContact CB-CE1 3.83Å; L776-Y850 HydrophobicContact CD2-CE1 4.12Å; L776-Y850 HydrophobicContact CG-CE1 4.44Å; L776-Y850 WeakPolarHBondContact O-CD1 3.35Å; L776-Y850 WeakPolarHBondContact O-CE1 3.47Å; N779-Y850 HydrophobicContact CB-CE1 4.21Å; N779-Y850 PolarHBondContact ND2-OH 3.26Å; I780-Y850 HydrophobicContact CD1-CD1 4.44Å; I780-Y850 HydrophobicContact CD1-CD2 3.66Å; I780-Y850 HydrophobicContact CD1-CE2 4.25Å; I780-Y850 HydrophobicContact CD1-CG 3.76Å; I780-Y850 HydrophobicContact CG1-CD1 4.31Å; I780-Y850 HydrophobicContact CG1-CD2 4.39Å; I780-Y850 HydrophobicContact CG1-CG 4Å; I846-Y850 HydrophobicContact CG2-CD2 4.42Å; I846-Y850 HydrophobicContact CG2-CG 4.2Å; I846-Y850 WeakPolarHBondContact O-CA 3.38Å; I846-Y850 VanDerWaalsContact O-CB 3.3Å; I846-Y850 WeakPolarHBondContact O-CB 3.2Å; I846-Y850 PolarHBondContact O-N 3.16Å
851	G	94.9	Very high	96.4	Very high	47 Å²	47	34.4 Å²	34.4	49%	0.485	18%	0.181	S	C	.	.	I	π-helix	trans	-79.2	-22.5	-169.8	0	0	0	0	0	115.1	I846 S847 M855	I846-G851 PolarHBondContact O-N 3.28Å; S847-G851 CarbonylContact O-C 3.6Å; S847-G851 WeakPolarHBondContact O-CA 3.42Å; S847-G851 PolarHBondContact O-N 3.23Å; S847-G851 VanDerWaalsContact O-N 3.16Å; G851-M855 WeakPolarHBondContact O-CG 3.18Å
852	Q	97.3	Very high	96.5	Very high	40 Å²	40	35.8 Å²	35.8	19%	0.187	19%	0.187	C	C	.	.	I	π-helix	trans	-126.6	-69.6	-170.1	-62.9	167	40.9	0	0	112.1	S847 M848 M855 I856 Y997	S847-Q852 WeakPolarHBondContact O-CG 3.37Å; S847-Q852 PolarHBondContact O-N 3.42Å; S847-Q852 PolarHBondContact O-NE2 3.25Å; S847-Q852 PolarHBondContact OG-NE2 2.68Å; M848-Q852 WeakPolarHBondContact O-CB 3.32Å; M848-Q852 PolarHBondContact O-N 3.08Å; M848-Q852 PolarHBondContact SD-OE1 3.39Å; Q852-M855 PolarHBondContact O-N 3.46Å; Q852-I856 WeakPolarHBondContact O-CG1 3.36Å; Q852-I856 PolarHBondContact O-N 3.39Å; Q852-Y997 HydrophobicContact CB-CE1 4.49Å; Q852-Y997 PolarHBondContact OE1-OH 3.25Å
853	I	98.1	Very high	96.7	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	20%	0.197	C	C	.	.	I	π-helix	trans	-68.6	-47.5	-173	-53.1	-56.8	0	0	0	110.7	T777 M848 M855 I856 Q857 D929 I932 I994 Y997	T777-I853 HydrophobicContact CG2-CB 3.71Å; T777-I853 HydrophobicContact CG2-CG2 3.54Å; M848-I853 HydrophobicContact CE-CD1 4.4Å; M848-I853 HydrophobicContact CE-CG1 4.3Å; M848-I853 PolarHBondContact O-N 3.47Å; I853-M855 PolarHBondContact O-N 2.8Å; I853-I856 WeakPolarHBondContact O-CA 3.47Å; I853-I856 WeakPolarHBondContact O-CB 3.29Å; I853-I856 PolarHBondContact O-N 2.94Å; I853-Q857 HydrophobicContact CG2-CG 4.43Å; I853-Q857 WeakPolarHBondContact O-CG 3.4Å; I853-Q857 PolarHBondContact O-N 2.95Å; I853-D929 WeakPolarHBondContact CG2-OD1 3.4Å; I853-I932 HydrophobicContact CD1-CD1 3.95Å; I853-I932 HydrophobicContact CG1-CD1 4.08Å; I853-I932 HydrophobicContact CG2-CD1 4.33Å; I853-I994 HydrophobicContact CD1-CG2 4.43Å; I853-I994 HydrophobicContact CG2-CD1 4.13Å; I853-I994 HydrophobicContact CG2-CG1 4.18Å; I853-I994 HydrophobicContact CG2-CG2 3.81Å; I853-Y997 HydrophobicContact CD1-CD1 3.67Å; I853-Y997 HydrophobicContact CD1-CE1 3.91Å
854	G	97.5	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.5	-32.6	177.8	0	0	0	0	0	112.8	T777 I780 A849 Q857 A858	T777-G854 WeakPolarHBondContact O-CA 3.33Å; I780-G854 VanDerWaalsContact CG2-C 3.48Å; I780-G854 WeakPolarHBondContact CG2-O 3.44Å; A849-G854 WeakPolarHBondContact O-CA 3.15Å; A849-G854 PolarHBondContact O-N 3.41Å; G854-Q857 PolarHBondContact O-N 3.32Å; G854-A858 WeakPolarHBondContact O-CB 3.27Å; G854-A858 PolarHBondContact O-N 3.06Å
855	M	97.9	Very high	97	Very high	96 Å²	96	25.7 Å²	25.7	47%	0.473	14%	0.142	S	C	.	.	H	α-helix	trans	-66.4	-39.5	173.3	-67.4	-58.7	-60.4	0	0	112.4	I780 G851 Q852 I853 Q857 A858 L859	I780-M855 HydrophobicContact CG2-SD 3.79Å; G851-M855 WeakPolarHBondContact O-CG 3.18Å; Q852-M855 PolarHBondContact O-N 3.46Å; I853-M855 PolarHBondContact O-N 2.8Å; M855-Q857 VanDerWaalsContact C-N 3.33Å; M855-A858 PolarHBondContact O-N 3.38Å; M855-L859 WeakPolarHBondContact O-CG 3.41Å; M855-L859 PolarHBondContact O-N 3.44Å; M855-L859 VanDerWaalsContact O-N 3.07Å
856	I	98.3	Very high	97.1	Very high	27 Å²	27	28.7 Å²	28.7	14%	0.138	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-39.1	175.2	-57.8	169.2	0	0	0	110.1	Q852 I853 L859 A860 Y990 L993 I994	Q852-I856 WeakPolarHBondContact O-CG1 3.36Å; Q852-I856 PolarHBondContact O-N 3.39Å; I853-I856 WeakPolarHBondContact O-CA 3.47Å; I853-I856 WeakPolarHBondContact O-CB 3.29Å; I853-I856 PolarHBondContact O-N 2.94Å; I856-L859 PolarHBondContact O-N 3.33Å; I856-A860 PolarHBondContact O-N 3.46Å; I856-A860 VanDerWaalsContact O-N 3.07Å; I856-Y990 HydrophobicContact CG2-CD1 4.05Å; I856-L993 HydrophobicContact CG2-CD2 4.1Å; I856-I994 HydrophobicContact CB-CD1 4.3Å; I856-I994 HydrophobicContact CB-CG1 3.97Å; I856-I994 HydrophobicContact CD1-CG1 4.29Å; I856-I994 HydrophobicContact CG2-CD1 4.06Å; I856-I994 HydrophobicContact CG2-CG1 3.65Å
857	Q	98.3	Very high	97.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-44.4	175.1	-62.1	-169.8	-11.6	0	0	112	T777 P781 I853 G854 M855 L859 A860 G861 V925 I994	T777-Q857 HydrophobicContact CG2-CG 4.42Å; T777-Q857 PolarHBondContact O-OE1 2.69Å; P781-Q857 HydrophobicContact CB-CB 4.14Å; P781-Q857 HydrophobicContact CG-CB 3.74Å; I853-Q857 HydrophobicContact CG2-CG 4.43Å; I853-Q857 WeakPolarHBondContact O-CG 3.4Å; I853-Q857 PolarHBondContact O-N 2.95Å; G854-Q857 PolarHBondContact O-N 3.32Å; M855-Q857 VanDerWaalsContact C-N 3.33Å; Q857-L859 VanDerWaalsContact C-N 3.34Å; Q857-L859 PolarHBondContact O-N 3.29Å; Q857-A860 WeakPolarHBondContact O-CB 3.39Å; Q857-A860 PolarHBondContact O-N 3.01Å; Q857-A860 VanDerWaalsContact O-N 3.11Å; Q857-G861 PolarHBondContact O-N 3.39Å; Q857-V925 HydrophobicContact CB-CG2 3.7Å; Q857-V925 HydrophobicContact CG-CB 3.95Å; Q857-V925 HydrophobicContact CG-CG2 3.45Å; Q857-V925 VanDerWaalsContact CG-CG2 3.45Å; Q857-I994 HydrophobicContact CG-CD1 3.73Å
858	A	97.7	Very high	97.2	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.033	14%	0.141	C	C	.	.	H	α-helix	trans	-59.1	-44.9	175.8	0	0	0	0	0	111.6	I780 P781 S784 G854 M855 A860 G861 F862	I780-A858 HydrophobicContact CG2-CB 4.16Å; P781-A858 HydrophobicContact CB-CB 4.31Å; S784-A858 WeakPolarHBondContact OG-CB 3.5Å; G854-A858 WeakPolarHBondContact O-CB 3.27Å; G854-A858 PolarHBondContact O-N 3.06Å; M855-A858 PolarHBondContact O-N 3.38Å; A858-A860 VanDerWaalsContact C-N 3.27Å; A858-A860 PolarHBondContact O-N 2.96Å; A858-G861 PolarHBondContact O-N 3.38Å; A858-F862 HydrophobicContact CB-CD2 4.49Å; A858-F862 HydrophobicContact CB-CE2 4.38Å; A858-F862 WeakPolarHBondContact O-CD2 3.18Å; A858-F862 PolarHBondContact O-N 3.07Å
859	L	97.9	Very high	97.2	Very high	98 Å²	98	26.3 Å²	26.3	51%	0.513	14%	0.14	S	C	.	.	H	α-helix	trans	-60.3	-36.9	175.7	-69.7	173.6	0	0	0	112.4	M855 I856 Q857 F863 Y990	M855-L859 WeakPolarHBondContact O-CG 3.41Å; M855-L859 PolarHBondContact O-N 3.44Å; M855-L859 VanDerWaalsContact O-N 3.07Å; I856-L859 PolarHBondContact O-N 3.33Å; Q857-L859 VanDerWaalsContact C-N 3.34Å; Q857-L859 PolarHBondContact O-N 3.29Å; L859-F863 VanDerWaalsContact O-CB 3.28Å; L859-F863 WeakPolarHBondContact O-CB 3.28Å; L859-F863 PolarHBondContact O-N 2.8Å; L859-Y990 HydrophobicContact CB-CD1 4.35Å; L859-Y990 HydrophobicContact CB-CE1 3.85Å
860	A	97.9	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-46.3	176	0	0	0	0	0	111.8	I856 Q857 A858 F863 T864 V925 A987 Y990	I856-A860 PolarHBondContact O-N 3.46Å; I856-A860 VanDerWaalsContact O-N 3.07Å; Q857-A860 WeakPolarHBondContact O-CB 3.39Å; Q857-A860 PolarHBondContact O-N 3.01Å; Q857-A860 VanDerWaalsContact O-N 3.11Å; A858-A860 VanDerWaalsContact C-N 3.27Å; A858-A860 PolarHBondContact O-N 2.96Å; A860-F863 PolarHBondContact O-N 3.48Å; A860-T864 PolarHBondContact O-N 3.08Å; A860-T864 VanDerWaalsContact O-N 3.12Å; A860-T864 PolarHBondContact O-OG1 3.35Å; A860-V925 HydrophobicContact CB-CG1 3.72Å; A860-A987 HydrophobicContact CB-CB 4.23Å; A860-Y990 VanDerWaalsContact CB-CB 3.49Å; A860-Y990 HydrophobicContact CB-CD1 4.07Å; A860-Y990 HydrophobicContact CB-CD2 3.81Å; A860-Y990 HydrophobicContact CB-CG 3.53Å
861	G	97.2	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-46.6	176.8	0	0	0	0	0	112.3	Q857 A858 F863 T864 Y865 F918	Q857-G861 PolarHBondContact O-N 3.39Å; A858-G861 PolarHBondContact O-N 3.38Å; G861-F863 VanDerWaalsContact C-N 3.33Å; G861-F863 PolarHBondContact O-N 3.12Å; G861-T864 PolarHBondContact O-N 3.01Å; G861-Y865 WeakPolarHBondContact O-CB 3.47Å; G861-Y865 PolarHBondContact O-N 3.07Å; G861-F918 VanDerWaalsContact C-CD2 3.43Å; G861-F918 VanDerWaalsContact O-CD2 3.31Å; G861-F918 WeakPolarHBondContact O-CD2 3.21Å; G861-F918 WeakPolarHBondContact O-CE2 3.02Å
862	F	97.9	Very high	97.3	Very high	28 Å²	28	31 Å²	31	12%	0.123	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-37.3	176	-75.4	-58.2	0	0	0	113	L788 P797 A858 Y865 F866 F918	L788-F862 HydrophobicContact CB-CE1 3.86Å; L788-F862 HydrophobicContact CB-CZ 3.87Å; L788-F862 HydrophobicContact CD2-CD1 3.61Å; L788-F862 HydrophobicContact CD2-CE1 3.23Å; L788-F862 HydrophobicContact CD2-CZ 3.94Å; L788-F862 HydrophobicContact CG-CE1 4.15Å; P797-F862 HydrophobicContact CB-CE1 4.29Å; P797-F862 HydrophobicContact CG-CE1 3.98Å; A858-F862 HydrophobicContact CB-CD2 4.49Å; A858-F862 HydrophobicContact CB-CE2 4.38Å; A858-F862 WeakPolarHBondContact O-CD2 3.18Å; A858-F862 PolarHBondContact O-N 3.07Å; F862-Y865 WeakPolarHBondContact O-CB 3.42Å; F862-Y865 PolarHBondContact O-N 3.47Å; F862-F866 HydrophobicContact CB-CD2 4.45Å; F862-F866 HydrophobicContact CB-CE2 4.2Å; F862-F866 WeakPolarHBondContact O-CD2 3.45Å; F862-F866 PolarHBondContact O-N 3.35Å; F862-F918 HydrophobicContact CD1-CE2 4.04Å; F862-F918 HydrophobicContact CE1-CE2 4.27Å; F862-F918 HydrophobicContact CG-CE2 4.29Å
863	F	97.9	Very high	97.1	Very high	87 Å²	87	29.3 Å²	29.3	38%	0.382	15%	0.148	S	C	.	.	H	α-helix	trans	-59.9	-49.3	175.7	176.6	-105.6	0	0	0	110.8	L859 A860 G861 Y865 F866 V867 C986 Y990	L859-F863 VanDerWaalsContact O-CB 3.28Å; L859-F863 WeakPolarHBondContact O-CB 3.28Å; L859-F863 PolarHBondContact O-N 2.8Å; A860-F863 PolarHBondContact O-N 3.48Å; G861-F863 VanDerWaalsContact C-N 3.33Å; G861-F863 PolarHBondContact O-N 3.12Å; F863-Y865 VanDerWaalsContact C-N 3.34Å; F863-Y865 PolarHBondContact O-N 3.25Å; F863-F866 PolarHBondContact O-N 2.79Å; F863-V867 HydrophobicContact CD1-CG2 4.34Å; F863-V867 HydrophobicContact CD2-CG2 4.39Å; F863-V867 HydrophobicContact CE1-CG2 3.97Å; F863-V867 HydrophobicContact CE2-CG2 4.01Å; F863-V867 HydrophobicContact CZ-CG2 3.79Å; F863-V867 VanDerWaalsContact O-CG2 3.27Å; F863-V867 WeakPolarHBondContact O-CG2 3.36Å; F863-V867 PolarHBondContact O-N 3.42Å; F863-C986 HydrophobicContact CD1-CB 4.24Å; F863-C986 HydrophobicContact CE1-CB 4.22Å; F863-Y990 HydrophobicContact CB-CE2 3.95Å; F863-Y990 AromaticContact CD1-CE2 3.93Å; F863-Y990 HydrophobicContact CD1-CE2 3.93Å; F863-Y990 AromaticContact CG-CE2 3.94Å; F863-Y990 HydrophobicContact CG-CE2 3.94Å
864	T	97.3	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-42.9	176.3	-55.5	0	0	0	0	111.9	A860 G861 F866 V867 I868 A917 S921 C986	A860-T864 PolarHBondContact O-N 3.08Å; A860-T864 VanDerWaalsContact O-N 3.12Å; A860-T864 PolarHBondContact O-OG1 3.35Å; G861-T864 PolarHBondContact O-N 3.01Å; T864-F866 PolarHBondContact O-N 2.9Å; T864-V867 PolarHBondContact O-N 3.28Å; T864-I868 HydrophobicContact CG2-CD1 3.94Å; T864-I868 HydrophobicContact CG2-CG1 4.49Å; T864-I868 WeakPolarHBondContact O-CG1 3.48Å; T864-I868 PolarHBondContact O-N 3.45Å; T864-A917 HydrophobicContact CG2-CB 3.79Å; T864-S921 VanDerWaalsContact CB-OG 3.24Å; T864-S921 WeakPolarHBondContact CB-OG 3.3Å; T864-S921 WeakPolarHBondContact CG2-OG 3.44Å; T864-S921 PolarHBondContact OG1-OG 3.41Å; T864-C986 HydrophobicContact CG2-CB 4.03Å; T864-C986 VanDerWaalsContact OG1-CB 3.23Å; T864-C986 WeakPolarHBondContact OG1-CB 3.49Å
865	Y	97.6	Very high	96.9	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-54.7	-50.8	175	168	-98.2	0	0	0	112.3	P795 P797 G861 F862 F863 I868 L869 L879 C914	P795-Y865 VanDerWaalsContact CD-OH 3.27Å; P795-Y865 WeakPolarHBondContact CD-OH 3.49Å; P795-Y865 PolarHBondContact O-OH 2.9Å; P797-Y865 HydrophobicContact CB-CD2 3.66Å; P797-Y865 HydrophobicContact CB-CE2 3.89Å; P797-Y865 HydrophobicContact CB-CG 4.04Å; P797-Y865 HydrophobicContact CG-CD2 4.25Å; P797-Y865 HydrophobicContact CG-CE1 4.43Å; P797-Y865 HydrophobicContact CG-CE2 4.04Å; G861-Y865 WeakPolarHBondContact O-CB 3.47Å; G861-Y865 PolarHBondContact O-N 3.07Å; F862-Y865 WeakPolarHBondContact O-CB 3.42Å; F862-Y865 PolarHBondContact O-N 3.47Å; F863-Y865 VanDerWaalsContact C-N 3.34Å; F863-Y865 PolarHBondContact O-N 3.25Å; Y865-I868 PolarHBondContact O-N 3.44Å; Y865-L869 HydrophobicContact CD1-CD1 4.22Å; Y865-L869 HydrophobicContact CD2-CD1 4.11Å; Y865-L869 HydrophobicContact CE1-CD1 3.62Å; Y865-L869 HydrophobicContact CE2-CD1 3.49Å; Y865-L869 VanDerWaalsContact CE2-CD1 3.49Å; Y865-L869 HydrophobicContact CE2-CG 4.47Å; Y865-L869 HydrophobicContact CG-CD1 4.43Å; Y865-L869 PolarHBondContact O-N 3.21Å; Y865-L869 VanDerWaalsContact O-N 3.15Å; Y865-L869 VanDerWaalsContact OH-CD1 3.32Å; Y865-L869 WeakPolarHBondContact OH-CD1 3.46Å; Y865-L879 HydrophobicContact CE1-CD1 4.37Å; Y865-C914 HydrophobicContact CD2-CB 3.92Å; Y865-C914 HydrophobicContact CE2-CB 4.36Å
866	F	97.3	Very high	96.6	Very high	64 Å²	64	29.8 Å²	29.8	28%	0.281	16%	0.156	S	C	.	.	H	α-helix	trans	-67.9	-36.2	178.9	-70.7	-55.9	0	0	0	113	L788 F862 F863 T864 A870 P876 L879	L788-F866 HydrophobicContact CD2-CZ 4.33Å; F862-F866 HydrophobicContact CB-CD2 4.45Å; F862-F866 HydrophobicContact CB-CE2 4.2Å; F862-F866 WeakPolarHBondContact O-CD2 3.45Å; F862-F866 PolarHBondContact O-N 3.35Å; F863-F866 PolarHBondContact O-N 2.79Å; T864-F866 PolarHBondContact O-N 2.9Å; F866-A870 WeakPolarHBondContact O-CB 3.31Å; F866-A870 PolarHBondContact O-N 2.94Å; F866-P876 HydrophobicContact CB-CG 4.18Å; F866-P876 HydrophobicContact CD1-CB 3.97Å; F866-P876 HydrophobicContact CD1-CG 4.1Å; F866-P876 HydrophobicContact CE1-CB 4.38Å; F866-P876 HydrophobicContact CG-CG 4.36Å; F866-L879 HydrophobicContact CD1-CD1 3.75Å; F866-L879 HydrophobicContact CE1-CD1 3.85Å
867	V	97.1	Very high	96.3	Very high	33 Å²	33	35.7 Å²	35.7	20%	0.2	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-46.9	176	167.5	0	0	0	0	110.7	F863 T864 A870 E871	F863-V867 HydrophobicContact CD1-CG2 4.34Å; F863-V867 HydrophobicContact CD2-CG2 4.39Å; F863-V867 HydrophobicContact CE1-CG2 3.97Å; F863-V867 HydrophobicContact CE2-CG2 4.01Å; F863-V867 HydrophobicContact CZ-CG2 3.79Å; F863-V867 VanDerWaalsContact O-CG2 3.27Å; F863-V867 WeakPolarHBondContact O-CG2 3.36Å; F863-V867 PolarHBondContact O-N 3.42Å; T864-V867 PolarHBondContact O-N 3.28Å; V867-A870 PolarHBondContact O-N 2.7Å; V867-E871 HydrophobicContact CG1-CG 4.47Å; V867-E871 WeakPolarHBondContact O-CB 3.49Å; V867-E871 WeakPolarHBondContact O-CG 3.39Å; V867-E871 PolarHBondContact O-N 2.91Å
868	I	96.6	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-45	-178.2	-68.3	173.7	0	0	0	111.1	T864 Y865 E871 N872 C914 A917 W983	T864-I868 HydrophobicContact CG2-CD1 3.94Å; T864-I868 HydrophobicContact CG2-CG1 4.49Å; T864-I868 WeakPolarHBondContact O-CG1 3.48Å; T864-I868 PolarHBondContact O-N 3.45Å; Y865-I868 PolarHBondContact O-N 3.44Å; I868-E871 PolarHBondContact O-N 3.3Å; I868-N872 PolarHBondContact O-N 2.82Å; I868-N872 VanDerWaalsContact O-N 3.14Å; I868-N872 PolarHBondContact O-ND2 3.4Å; I868-C914 VanDerWaalsContact CG2-SG 3.56Å; I868-A917 HydrophobicContact CD1-CB 3.05Å; I868-W983 HydrophobicContact CD1-CB 4.43Å; I868-W983 HydrophobicContact CD1-CD2 3.84Å; I868-W983 HydrophobicContact CD1-CE3 3.89Å; I868-W983 HydrophobicContact CD1-CG 4.11Å; I868-W983 HydrophobicContact CD1-CZ3 4.43Å; I868-W983 HydrophobicContact CG1-CD2 3.75Å; I868-W983 HydrophobicContact CG1-CE3 4.2Å; I868-W983 HydrophobicContact CG1-CG 3.99Å; I868-W983 HydrophobicContact CG1-CZ2 4.16Å; I868-W983 HydrophobicContact CG2-CH2 4.18Å; I868-W983 HydrophobicContact CG2-CZ2 4.17Å
869	L	96.3	Very high	95.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-43.8	177.6	-75.3	171.7	0	0	0	111.6	Y865 E871 N872 G873 F874 L879 W886 I910	Y865-L869 HydrophobicContact CD1-CD1 4.22Å; Y865-L869 HydrophobicContact CD2-CD1 4.11Å; Y865-L869 HydrophobicContact CE1-CD1 3.62Å; Y865-L869 HydrophobicContact CE2-CD1 3.49Å; Y865-L869 VanDerWaalsContact CE2-CD1 3.49Å; Y865-L869 HydrophobicContact CE2-CG 4.47Å; Y865-L869 HydrophobicContact CG-CD1 4.43Å; Y865-L869 PolarHBondContact O-N 3.21Å; Y865-L869 VanDerWaalsContact O-N 3.15Å; Y865-L869 VanDerWaalsContact OH-CD1 3.32Å; Y865-L869 WeakPolarHBondContact OH-CD1 3.46Å; L869-E871 PolarHBondContact O-N 3.24Å; L869-N872 CarbonylContact O-C 3.52Å; L869-N872 PolarHBondContact O-N 3.33Å; L869-G873 PolarHBondContact O-N 3.07Å; L869-G873 VanDerWaalsContact O-N 3.11Å; L869-F874 CarbonylContact C-O 3.56Å; L869-F874 HydrophobicContact CB-CB 4.19Å; L869-F874 HydrophobicContact CD2-CB 4.41Å; L869-F874 PolarHBondContact O-N 3.41Å; L869-L879 HydrophobicContact CB-CD1 4.31Å; L869-L879 HydrophobicContact CD1-CD1 3.6Å; L869-L879 HydrophobicContact CD1-CD2 3.94Å; L869-L879 HydrophobicContact CD1-CG 4.46Å; L869-W886 HydrophobicContact CD2-CH2 3.91Å; L869-I910 HydrophobicContact CD2-CG2 3.77Å
870	A	96.4	Very high	95.4	Very high	26 Å²	26	40 Å²	40	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-42.6	178.7	0	0	0	0	0	112.4	F866 V867 N872 G873 F874 L875	F866-A870 WeakPolarHBondContact O-CB 3.31Å; F866-A870 PolarHBondContact O-N 2.94Å; V867-A870 PolarHBondContact O-N 2.7Å; A870-N872 PolarHBondContact O-N 3.01Å; A870-G873 PolarHBondContact O-N 2.81Å; A870-F874 WeakPolarHBondContact CA-O 3.41Å; A870-F874 PolarHBondContact N-O 3.14Å; A870-L875 HydrophobicContact CB-CD2 4.31Å
871	E	95.5	Very high	95.1	Very high	100 Å²	100	41.7 Å²	41.7	47%	0.467	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-26.1	176.3	-78.4	-172.4	-175.4	0	0	113.4	V867 I868 L869 K980 W983	V867-E871 HydrophobicContact CG1-CG 4.47Å; V867-E871 WeakPolarHBondContact O-CB 3.49Å; V867-E871 WeakPolarHBondContact O-CG 3.39Å; V867-E871 PolarHBondContact O-N 2.91Å; I868-E871 PolarHBondContact O-N 3.3Å; L869-E871 PolarHBondContact O-N 3.24Å; E871-K980 IonicContact OE2-NZ 3.49Å; E871-W983 PolarHBondContact OE2-NE1 3.26Å
872	N	95	Very high	94.8	Very high	42 Å²	42	42.6 Å²	42.6	23%	0.225	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	6.4	178	-70	-77	0	0	0	113.5	I868 L869 A870 W902 I910	I868-N872 PolarHBondContact O-N 2.82Å; I868-N872 VanDerWaalsContact O-N 3.14Å; I868-N872 PolarHBondContact O-ND2 3.4Å; L869-N872 CarbonylContact O-C 3.52Å; L869-N872 PolarHBondContact O-N 3.33Å; A870-N872 PolarHBondContact O-N 3.01Å; N872-W902 WeakPolarHBondContact O-CZ2 3.34Å; N872-I910 HydrophobicContact CB-CD1 3.74Å; N872-I910 HydrophobicContact CB-CG1 4.48Å
873	G	93.5	Very high	94.5	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.031	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	114.5	-10.3	169.4	0	0	0	0	0	116	L869 A870 D896 S897 Y898	L869-G873 PolarHBondContact O-N 3.07Å; L869-G873 VanDerWaalsContact O-N 3.11Å; A870-G873 PolarHBondContact O-N 2.81Å; G873-D896 WeakPolarHBondContact O-CB 3.12Å; G873-S897 WeakPolarHBondContact O-CB 3.21Å; G873-S897 PolarHBondContact O-N 3.34Å; G873-S897 PolarHBondContact O-OG 2.97Å; G873-Y898 WeakPolarHBondContact O-CD2 3.15Å
874	F	95.9	Very high	94	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	24%	0.238	C	C	.	.			trans	-101.9	96.2	-177.9	-64.1	-86.3	0	0	0	111	L869 A870 L879 I882 W886 L894 D896 W902	L869-F874 CarbonylContact C-O 3.56Å; L869-F874 HydrophobicContact CB-CB 4.19Å; L869-F874 HydrophobicContact CD2-CB 4.41Å; L869-F874 PolarHBondContact O-N 3.41Å; A870-F874 WeakPolarHBondContact CA-O 3.41Å; A870-F874 PolarHBondContact N-O 3.14Å; F874-L879 HydrophobicContact CB-CD2 3.88Å; F874-I882 HydrophobicContact CD1-CD1 3.99Å; F874-I882 HydrophobicContact CE1-CD1 4.15Å; F874-W886 AromaticContact CD1-CZ3 3.96Å; F874-W886 HydrophobicContact CD1-CZ3 3.96Å; F874-W886 HydrophobicContact CD2-CH2 4.32Å; F874-W886 HydrophobicContact CD2-CZ3 4.14Å; F874-W886 HydrophobicContact CE1-CE3 4.45Å; F874-W886 AromaticContact CE1-CZ3 3.76Å; F874-W886 HydrophobicContact CE1-CZ3 3.76Å; F874-W886 HydrophobicContact CE2-CH2 4.17Å; F874-W886 AromaticContact CE2-CZ3 3.95Å; F874-W886 HydrophobicContact CE2-CZ3 3.95Å; F874-W886 HydrophobicContact CG-CZ3 4.15Å; F874-W886 HydrophobicContact CZ-CH2 4.37Å; F874-W886 AromaticContact CZ-CZ3 3.74Å; F874-W886 HydrophobicContact CZ-CZ3 3.74Å; F874-L894 HydrophobicContact CE1-CD2 4.18Å; F874-L894 HydrophobicContact CE1-CG 4.45Å; F874-D896 HydrophobicContact CD1-CB 4.01Å; F874-D896 HydrophobicContact CD2-CB 4.43Å; F874-D896 HydrophobicContact CE1-CB 3.76Å; F874-D896 HydrophobicContact CE2-CB 4.21Å; F874-D896 HydrophobicContact CG-CB 4.34Å; F874-D896 HydrophobicContact CZ-CB 3.87Å; F874-W902 AromaticContact CE2-CD1 3.97Å; F874-W902 AromaticContact CE2-CD2 3.97Å; F874-W902 HydrophobicContact CE2-CD2 3.97Å; F874-W902 AromaticContact CE2-CE2 3.87Å; F874-W902 HydrophobicContact CE2-CG 4.06Å; F874-W902 HydrophobicContact CE2-CZ2 4.46Å; F874-W902 AromaticContact CE2-NE1 3.82Å; F874-W902 HydrophobicContact CZ-CB 4.28Å; F874-W902 AromaticContact CZ-CD1 3.58Å; F874-W902 HydrophobicContact CZ-CD2 4.16Å; F874-W902 AromaticContact CZ-CG 3.75Å; F874-W902 HydrophobicContact CZ-CG 3.75Å; F874-W902 AromaticContact CZ-NE1 3.89Å
875	L	94.6	Very high	93.7	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.246	25%	0.254	C	S	.	.			trans	-70	146.4	180	-63	176.1	0	0	0	111.3	A870 K877 D878 S897	A870-L875 HydrophobicContact CB-CD2 4.31Å; L875-K877 HydrophobicContact CB-CG 4.11Å; L875-K877 PolarHBondContact O-N 2.8Å; L875-D878 PolarHBondContact O-N 3.4Å; L875-S897 WeakPolarHBondContact CB-OG 3.45Å; L875-S897 WeakPolarHBondContact CG-OG 3.27Å; L875-S897 PolarHBondContact N-OG 3.34Å
876	P	93.2	Very high	93.4	Very high	62 Å²	62	46.6 Å²	46.6	40%	0.403	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-55.8	-29.6	-174.9	-29	35.8	0	0	0	115.6	F866 D878 L879	F866-P876 HydrophobicContact CB-CG 4.18Å; F866-P876 HydrophobicContact CD1-CB 3.97Å; F866-P876 HydrophobicContact CD1-CG 4.1Å; F866-P876 HydrophobicContact CE1-CB 4.38Å; F866-P876 HydrophobicContact CG-CG 4.36Å; P876-D878 VanDerWaalsContact C-N 3.29Å; P876-D878 PolarHBondContact O-N 3.44Å; P876-L879 PolarHBondContact O-N 3.24Å
877	K	91.1	Very high	93	Very high	150 Å²	150	46 Å²	46	65%	0.652	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-65.8	-29.5	177.6	55.2	162.1	-165.4	173.4	0	113.4	L875	L875-K877 HydrophobicContact CB-CG 4.11Å; L875-K877 PolarHBondContact O-N 2.8Å
878	D	91.1	Very high	92.6	Very high	68 Å²	68	47.8 Å²	47.8	36%	0.364	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-96.7	-2.8	-173.6	-55.1	-33	0	0	0	111.4	L875 P876 S897	L875-D878 PolarHBondContact O-N 3.4Å; P876-D878 VanDerWaalsContact C-N 3.29Å; P876-D878 PolarHBondContact O-N 3.44Å; D878-S897 WeakPolarHBondContact OD2-CB 3.37Å; D878-S897 PolarHBondContact OD2-OG 3.16Å
879	L	92.5	Very high	92.1	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.281	C	S	.	.			trans	-79.7	-18.8	179.3	-67.3	177.3	0	0	0	113.9	V794 Y865 F866 L869 F874 P876 G881 I882	V794-L879 HydrophobicContact CG1-CB 4.23Å; V794-L879 WeakPolarHBondContact CG1-O 3.25Å; Y865-L879 HydrophobicContact CE1-CD1 4.37Å; F866-L879 HydrophobicContact CD1-CD1 3.75Å; F866-L879 HydrophobicContact CE1-CD1 3.85Å; L869-L879 HydrophobicContact CB-CD1 4.31Å; L869-L879 HydrophobicContact CD1-CD1 3.6Å; L869-L879 HydrophobicContact CD1-CD2 3.94Å; L869-L879 HydrophobicContact CD1-CG 4.46Å; F874-L879 HydrophobicContact CB-CD2 3.88Å; P876-L879 PolarHBondContact O-N 3.24Å; L879-G881 PolarHBondContact O-N 3.45Å; L879-I882 HydrophobicContact CD2-CG2 4.3Å; L879-I882 WeakPolarHBondContact O-CG2 3.38Å; L879-I882 PolarHBondContact O-N 3.17Å
880	L	92.3	Very high	91.6	Very high	124 Å²	124	61.4 Å²	61.4	65%	0.649	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	120.6	-176.6	-65.8	176.6	0	0	0	110.4	A792 V794 I882	A792-L880 HydrophobicContact CB-CD2 3.95Å; V794-L880 HydrophobicContact CG1-CD2 4.48Å; L880-I882 PolarHBondContact O-N 3.14Å
881	G	90.1	Very high	91.3	Very high	37 Å²	37	63.5 Å²	63.5	38%	0.381	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-2.2	-178.6	0	0	0	0	0	115.3	A792 S793 L879 R883	A792-G881 PolarHBondContact O-N 2.93Å; A792-G881 VanDerWaalsContact O-N 3.11Å; S793-G881 CarbonylContact O-C 3.52Å; S793-G881 WeakPolarHBondContact O-CA 3.27Å; S793-G881 PolarHBondContact O-N 2.9Å; L879-G881 PolarHBondContact O-N 3.45Å; G881-R883 PolarHBondContact O-N 3.28Å
882	I	92.8	Very high	91.2	Very high	19 Å²	19	62.2 Å²	62.2	10%	0.097	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.2	-176.2	-157.2	173.9	0	0	0	112.6	S793 P795 F874 L879 L880 I884 S885 W886 L894	S793-I882 PolarHBondContact O-N 3.34Å; P795-I882 VanDerWaalsContact CD-CG2 3.49Å; P795-I882 HydrophobicContact CG-CG2 3.85Å; F874-I882 HydrophobicContact CD1-CD1 3.99Å; F874-I882 HydrophobicContact CE1-CD1 4.15Å; L879-I882 HydrophobicContact CD2-CG2 4.3Å; L879-I882 WeakPolarHBondContact O-CG2 3.38Å; L879-I882 PolarHBondContact O-N 3.17Å; L880-I882 PolarHBondContact O-N 3.14Å; I882-I884 VanDerWaalsContact C-N 3.26Å; I882-I884 PolarHBondContact O-N 3.35Å; I882-I884 VanDerWaalsContact O-N 3.16Å; I882-S885 PolarHBondContact O-N 3.36Å; I882-S885 VanDerWaalsContact O-N 3.1Å; I882-W886 HydrophobicContact CD1-CE3 4.35Å; I882-W886 WeakPolarHBondContact O-CB 3.2Å; I882-W886 PolarHBondContact O-N 3.2Å; I882-L894 HydrophobicContact CD1-CD1 4.45Å; I882-L894 HydrophobicContact CD1-CD2 4.22Å; I882-L894 HydrophobicContact CG1-CD1 4.28Å; I882-L894 HydrophobicContact CG1-CD2 4.36Å
883	R	90.4	Very high	91	Very high	18 Å²	18	64 Å²	64	7%	0.068	33%	0.331	C	S	.	.	H	α-helix	trans	-50.6	-42.7	-176.2	179.6	-167.5	159.9	-163.3	-14.4	113.1	Y310 E314 F318 F789 S793 G881 S885 W886 D887	Y310-R883 PolarHBondContact OH-NH1 3.15Å; Y310-R883 VanDerWaalsContact OH-NH1 3.15Å; E314-R883 IonicContact OE1-NH2 2.93Å; F318-R883 VanDerWaalsContact CZ-NH1 3.3Å; F789-R883 VanDerWaalsContact CE1-NH1 3.3Å; F789-R883 HydrophobicContact CE2-CG 3.85Å; F789-R883 VanDerWaalsContact CE2-NE 3.33Å; F789-R883 HydrophobicContact CZ-CG 4.34Å; S793-R883 VanDerWaalsContact C-CB 3.47Å; S793-R883 WeakPolarHBondContact O-CB 3.22Å; S793-R883 PolarHBondContact O-N 3.44Å; G881-R883 PolarHBondContact O-N 3.28Å; R883-S885 VanDerWaalsContact C-N 3.3Å; R883-S885 PolarHBondContact O-N 3.42Å; R883-W886 CarbonylContact O-C 3.33Å; R883-W886 WeakPolarHBondContact O-CB 3.32Å; R883-W886 PolarHBondContact O-N 2.85Å; R883-D887 VanDerWaalsContact CG-OD2 3.24Å; R883-D887 WeakPolarHBondContact CG-OD2 3.23Å; R883-D887 IonicContact NE-OD2 3.03Å; R883-D887 PolarHBondContact NE-OD2 3.5Å; R883-D887 VanDerWaalsContact NE-OD2 3.15Å; R883-D887 PolarHBondContact O-N 3.22Å
884	I	87.2	Confident	91.1	Very high	134 Å²	134	64.4 Å²	64.4	69%	0.687	33%	0.332	S	S	*	.	H	α-helix	trans	-58.4	-47.2	-176.8	-58.1	171.7	0	0	0	109.9	I882 W886 D888	I882-I884 VanDerWaalsContact C-N 3.26Å; I882-I884 PolarHBondContact O-N 3.35Å; I882-I884 VanDerWaalsContact O-N 3.16Å; I884-W886 VanDerWaalsContact C-N 3.34Å; I884-D888 WeakPolarHBondContact O-CB 3.42Å; I884-D888 PolarHBondContact O-N 3.11Å
885	S	90.6	Very high	90.9	Very high	48 Å²	48	70.5 Å²	70.5	34%	0.336	36%	0.361	S	S	.	.	H	α-helix	trans	-76.6	-21.1	177.1	-47.1	0	0	0	0	113.2	I882 R883 R907	I882-S885 PolarHBondContact O-N 3.36Å; I882-S885 VanDerWaalsContact O-N 3.1Å; R883-S885 VanDerWaalsContact C-N 3.3Å; R883-S885 PolarHBondContact O-N 3.42Å; S885-R907 PolarHBondContact O-NH1 2.62Å; S885-R907 PolarHBondContact O-NH2 3.01Å
886	W	93	Very high	90.9	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-80.5	-37.4	179.6	-171.4	-79.9	0	0	0	112.9	P795 L869 F874 I882 R883 I884 L894 R907 E911	P795-W886 HydrophobicContact CB-CD2 4.05Å; P795-W886 HydrophobicContact CB-CG 4.22Å; P795-W886 HydrophobicContact CB-CZ2 4.21Å; P795-W886 HydrophobicContact CG-CD2 3.52Å; P795-W886 HydrophobicContact CG-CE3 3.74Å; P795-W886 HydrophobicContact CG-CG 3.86Å; P795-W886 HydrophobicContact CG-CH2 4.37Å; P795-W886 HydrophobicContact CG-CZ2 4.17Å; P795-W886 HydrophobicContact CG-CZ3 4.17Å; L869-W886 HydrophobicContact CD2-CH2 3.91Å; F874-W886 AromaticContact CD1-CZ3 3.96Å; F874-W886 HydrophobicContact CD1-CZ3 3.96Å; F874-W886 HydrophobicContact CD2-CH2 4.32Å; F874-W886 HydrophobicContact CD2-CZ3 4.14Å; F874-W886 HydrophobicContact CE1-CE3 4.45Å; F874-W886 AromaticContact CE1-CZ3 3.76Å; F874-W886 HydrophobicContact CE1-CZ3 3.76Å; F874-W886 HydrophobicContact CE2-CH2 4.17Å; F874-W886 AromaticContact CE2-CZ3 3.95Å; F874-W886 HydrophobicContact CE2-CZ3 3.95Å; F874-W886 HydrophobicContact CG-CZ3 4.15Å; F874-W886 HydrophobicContact CZ-CH2 4.37Å; F874-W886 AromaticContact CZ-CZ3 3.74Å; F874-W886 HydrophobicContact CZ-CZ3 3.74Å; I882-W886 HydrophobicContact CD1-CE3 4.35Å; I882-W886 WeakPolarHBondContact O-CB 3.2Å; I882-W886 PolarHBondContact O-N 3.2Å; R883-W886 CarbonylContact O-C 3.33Å; R883-W886 WeakPolarHBondContact O-CB 3.32Å; R883-W886 PolarHBondContact O-N 2.85Å; I884-W886 VanDerWaalsContact C-N 3.34Å; W886-L894 HydrophobicContact CE3-CD2 3.74Å; W886-L894 HydrophobicContact CZ3-CD2 4.37Å; W886-R907 VanDerWaalsContact C-NH2 3.31Å; W886-R907 HydrophobicContact CD2-CB 4.35Å; W886-R907 HydrophobicContact CD2-CG 4.41Å; W886-R907 HydrophobicContact CE3-CB 4.41Å; W886-R907 HydrophobicContact CH2-CB 3.87Å; W886-R907 HydrophobicContact CZ2-CB 3.8Å; W886-R907 HydrophobicContact CZ2-CG 4.48Å; W886-R907 WeakPolarHBondContact CZ2-O 2.95Å; W886-R907 HydrophobicContact CZ3-CB 4.18Å; W886-R907 PolarHBondContact O-NE 3.22Å; W886-R907 PolarHBondContact O-NH2 2.8Å; W886-E911 HydrophobicContact CZ2-CB 4.1Å; W886-E911 PolarHBondContact NE1-OE2 3.18Å
887	D	88.4	Confident	91	Very high	50 Å²	50	67.5 Å²	67.5	27%	0.267	34%	0.344	S	S	.	.	H	α-helix	trans	-85.7	-15.9	179.4	-72.9	-24.8	0	0	0	112.8	R883 R889 K908	R883-D887 VanDerWaalsContact CG-OD2 3.24Å; R883-D887 WeakPolarHBondContact CG-OD2 3.23Å; R883-D887 IonicContact NE-OD2 3.03Å; R883-D887 PolarHBondContact NE-OD2 3.5Å; R883-D887 VanDerWaalsContact NE-OD2 3.15Å; R883-D887 PolarHBondContact O-N 3.22Å; D887-R889 PolarHBondContact O-N 3.17Å; D887-K908 IonicContact OD1-NZ 3.23Å; D887-K908 PolarHBondContact OD1-NZ 2.9Å
888	D	88.2	Confident	91.1	Very high	71 Å²	71	67.8 Å²	67.8	38%	0.38	34%	0.342	S	S	.	.			trans	-69.9	107.8	179.4	-175.1	-8.2	0	0	0	113	I884 E890 F891 R907	I884-D888 WeakPolarHBondContact O-CB 3.42Å; I884-D888 PolarHBondContact O-N 3.11Å; D888-E890 PolarHBondContact O-N 3.08Å; D888-E890 PolarHBondContact OD1-N 3.31Å; D888-F891 HydrophobicContact CB-CB 3.97Å; D888-F891 PolarHBondContact O-N 2.82Å; D888-R907 PolarHBondContact O-NH2 2.81Å
889	R	85.2	Confident	91.2	Very high	111 Å²	111	66.5 Å²	66.5	42%	0.419	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.4	-179.2	-70.3	179.7	176.2	175.2	2	114.2	D887 F891 N892 Y904	D887-R889 PolarHBondContact O-N 3.17Å; R889-F891 VanDerWaalsContact C-N 3.34Å; R889-N892 PolarHBondContact O-ND2 3.07Å; R889-Y904 HydrophobicContact CB-CD2 4.4Å; R889-Y904 HydrophobicContact CB-CE2 4.37Å; R889-Y904 HydrophobicContact CG-CD2 4.12Å; R889-Y904 HydrophobicContact CG-CE1 4.13Å; R889-Y904 HydrophobicContact CG-CE2 3.63Å
890	E	87.4	Confident	91.3	Very high	176 Å²	176	71.4 Å²	71.4	82%	0.822	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-24.4	-177.7	-59.3	-167.1	163.4	0	0	111.3	D888 N892	D888-E890 PolarHBondContact O-N 3.08Å; D888-E890 PolarHBondContact OD1-N 3.31Å; E890-N892 PolarHBondContact O-N 2.98Å; E890-N892 PolarHBondContact O-ND2 2.9Å; E890-N892 VanDerWaalsContact O-ND2 3.08Å
891	F	89.6	Confident	91.4	Very high	71 Å²	71	71.9 Å²	71.9	31%	0.311	37%	0.367	S	S	.	.			trans	-82.5	102	-178.2	-162.1	-110	0	0	0	112.6	D888 R889 D893 L894 R907	D888-F891 HydrophobicContact CB-CB 3.97Å; D888-F891 PolarHBondContact O-N 2.82Å; R889-F891 VanDerWaalsContact C-N 3.34Å; F891-D893 WeakPolarHBondContact CE2-OD1 3.29Å; F891-L894 HydrophobicContact CD1-CB 3.97Å; F891-L894 HydrophobicContact CD1-CD1 4.24Å; F891-L894 HydrophobicContact CE1-CB 3.73Å; F891-L894 HydrophobicContact CE1-CD1 3.66Å; F891-L894 HydrophobicContact CE1-CG 4.31Å; F891-R907 PolarHBondContact O-NH1 3.42Å; F891-R907 PolarHBondContact O-NH2 2.8Å
892	N	92.3	Very high	91.7	Very high	73 Å²	73	72 Å²	72	39%	0.39	36%	0.356	S	S	.	.			trans	-112.5	9.2	-171.1	-77.4	-73.9	0	0	0	115.3	R889 E890 W902 T903 Y904	R889-N892 PolarHBondContact O-ND2 3.07Å; E890-N892 PolarHBondContact O-N 2.98Å; E890-N892 PolarHBondContact O-ND2 2.9Å; E890-N892 VanDerWaalsContact O-ND2 3.08Å; N892-W902 CarbonylContact C-O 3.47Å; N892-W902 VanDerWaalsContact C-O 3.31Å; N892-W902 CarbonylContact O-C 3.54Å; N892-T903 WeakPolarHBondContact O-CA 3.27Å; N892-Y904 PolarHBondContact OD1-N 2.71Å; N892-Y904 VanDerWaalsContact OD1-N 3.07Å
893	D	92.6	Very high	91.8	Very high	79 Å²	79	73.7 Å²	73.7	42%	0.422	37%	0.367	S	S	.	.			trans	-130.3	36.9	-176.2	57.6	-27.4	0	0	0	112	F891 E895 Q901	F891-D893 WeakPolarHBondContact CE2-OD1 3.29Å; D893-E895 PolarHBondContact O-N 2.69Å; D893-Q901 HydrophobicContact CB-CB 4.5Å; D893-Q901 HydrophobicContact CB-CG 4.45Å
894	L	93.8	Very high	91.9	Very high	11 Å²	11	74.7 Å²	74.7	6%	0.058	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	117.6	179	-178.3	67.4	0	0	0	111	F874 I882 W886 F891 Q901 W902	F874-L894 HydrophobicContact CE1-CD2 4.18Å; F874-L894 HydrophobicContact CE1-CG 4.45Å; I882-L894 HydrophobicContact CD1-CD1 4.45Å; I882-L894 HydrophobicContact CD1-CD2 4.22Å; I882-L894 HydrophobicContact CG1-CD1 4.28Å; I882-L894 HydrophobicContact CG1-CD2 4.36Å; W886-L894 HydrophobicContact CE3-CD2 3.74Å; W886-L894 HydrophobicContact CZ3-CD2 4.37Å; F891-L894 HydrophobicContact CD1-CB 3.97Å; F891-L894 HydrophobicContact CD1-CD1 4.24Å; F891-L894 HydrophobicContact CE1-CB 3.73Å; F891-L894 HydrophobicContact CE1-CD1 3.66Å; F891-L894 HydrophobicContact CE1-CG 4.31Å; L894-Q901 CarbonylContact O-C 3.15Å; L894-Q901 WeakPolarHBondContact O-CA 3.46Å; L894-W902 PolarHBondContact N-O 2.81Å; L894-W902 PolarHBondContact O-N 3.47Å
895	E	93.3	Very high	92	Very high	131 Å²	131	74.1 Å²	74.1	61%	0.612	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.5	-180	-163.4	176.8	177	0	0	111.1	D893 G899 Q900	D893-E895 PolarHBondContact O-N 2.69Å; E895-G899 WeakPolarHBondContact OE1-CA 3.43Å; E895-Q900 CarbonylContact C-O 3.42Å; E895-Q900 VanDerWaalsContact CA-O 3.28Å; E895-Q900 WeakPolarHBondContact CA-O 3.38Å
896	D	93.8	Very high	92.2	Very high	10 Å²	10	76.1 Å²	76.1	5%	0.053	37%	0.37	C	S	.	.			trans	-86.8	179.8	172.5	77.5	8	0	0	0	112.3	G873 F874 Y898 G899 Q900 W902	G873-D896 WeakPolarHBondContact O-CB 3.12Å; F874-D896 HydrophobicContact CD1-CB 4.01Å; F874-D896 HydrophobicContact CD2-CB 4.43Å; F874-D896 HydrophobicContact CE1-CB 3.76Å; F874-D896 HydrophobicContact CE2-CB 4.21Å; F874-D896 HydrophobicContact CG-CB 4.34Å; F874-D896 HydrophobicContact CZ-CB 3.87Å; D896-Y898 PolarHBondContact O-N 2.76Å; D896-Y898 VanDerWaalsContact O-N 3.11Å; D896-Y898 VanDerWaalsContact OD1-C 3.31Å; D896-Y898 WeakPolarHBondContact OD1-CA 3.3Å; D896-Y898 PolarHBondContact OD1-N 3.17Å; D896-G899 PolarHBondContact O-N 2.89Å; D896-G899 VanDerWaalsContact O-N 3.12Å; D896-G899 PolarHBondContact OD1-N 2.98Å; D896-Q900 PolarHBondContact N-O 3.29Å; D896-Q900 PolarHBondContact OD1-N 2.82Å; D896-Q900 WeakPolarHBondContact OD2-CB 3.42Å; D896-Q900 PolarHBondContact OD2-NE2 3.34Å; D896-W902 PolarHBondContact OD2-NE1 3.1Å
897	S	94.8	Very high	92.3	Very high	35 Å²	35	76.1 Å²	76.1	25%	0.245	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.8	-178.5	-55.2	0	0	0	0	114.5	G873 L875 D878	G873-S897 WeakPolarHBondContact O-CB 3.21Å; G873-S897 PolarHBondContact O-N 3.34Å; G873-S897 PolarHBondContact O-OG 2.97Å; L875-S897 WeakPolarHBondContact CB-OG 3.45Å; L875-S897 WeakPolarHBondContact CG-OG 3.27Å; L875-S897 PolarHBondContact N-OG 3.34Å; D878-S897 WeakPolarHBondContact OD2-CB 3.37Å; D878-S897 PolarHBondContact OD2-OG 3.16Å
898	Y	94.3	Very high	92.5	Very high	156 Å²	156	74.5 Å²	74.5	61%	0.612	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	1.9	179	-63.1	-79.9	0	0	0	112.5	G873 D896	G873-Y898 WeakPolarHBondContact O-CD2 3.15Å; D896-Y898 PolarHBondContact O-N 2.76Å; D896-Y898 VanDerWaalsContact O-N 3.11Å; D896-Y898 VanDerWaalsContact OD1-C 3.31Å; D896-Y898 WeakPolarHBondContact OD1-CA 3.3Å; D896-Y898 PolarHBondContact OD1-N 3.17Å
899	G	92.4	Very high	92.8	Very high	42 Å²	42	74.5 Å²	74.5	43%	0.433	36%	0.359	S	S	.	.	S	Bend	trans	84	17.4	179.4	0	0	0	0	0	114.7	E895 D896	E895-G899 WeakPolarHBondContact OE1-CA 3.43Å; D896-G899 PolarHBondContact O-N 2.89Å; D896-G899 VanDerWaalsContact O-N 3.12Å; D896-G899 PolarHBondContact OD1-N 2.98Å
900	Q	94.4	Very high	93.3	Very high	103 Å²	103	69.7 Å²	69.7	48%	0.481	34%	0.342	S	S	.	.			trans	-87.7	145.7	174.5	-54	172.5	91	0	0	110.4	E895 D896	E895-Q900 CarbonylContact C-O 3.42Å; E895-Q900 VanDerWaalsContact CA-O 3.28Å; E895-Q900 WeakPolarHBondContact CA-O 3.38Å; D896-Q900 PolarHBondContact N-O 3.29Å; D896-Q900 PolarHBondContact OD1-N 2.82Å; D896-Q900 WeakPolarHBondContact OD2-CB 3.42Å; D896-Q900 PolarHBondContact OD2-NE2 3.34Å
901	Q	94.8	Very high	93.7	Very high	135 Å²	135	61.8 Å²	61.8	63%	0.631	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.3	177.8	-67.7	-179.7	-31.2	0	0	111.1	D893 L894	D893-Q901 HydrophobicContact CB-CB 4.5Å; D893-Q901 HydrophobicContact CB-CG 4.45Å; L894-Q901 CarbonylContact O-C 3.15Å; L894-Q901 WeakPolarHBondContact O-CA 3.46Å
902	W	95.5	Very high	94	Very high	40 Å²	40	59.8 Å²	59.8	15%	0.152	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.4	-176.7	-69.8	79.2	0	0	0	111.8	N872 F874 N892 L894 D896 Q906 I910	N872-W902 WeakPolarHBondContact O-CZ2 3.34Å; F874-W902 AromaticContact CE2-CD1 3.97Å; F874-W902 AromaticContact CE2-CD2 3.97Å; F874-W902 HydrophobicContact CE2-CD2 3.97Å; F874-W902 AromaticContact CE2-CE2 3.87Å; F874-W902 HydrophobicContact CE2-CG 4.06Å; F874-W902 HydrophobicContact CE2-CZ2 4.46Å; F874-W902 AromaticContact CE2-NE1 3.82Å; F874-W902 HydrophobicContact CZ-CB 4.28Å; F874-W902 AromaticContact CZ-CD1 3.58Å; F874-W902 HydrophobicContact CZ-CD2 4.16Å; F874-W902 AromaticContact CZ-CG 3.75Å; F874-W902 HydrophobicContact CZ-CG 3.75Å; F874-W902 AromaticContact CZ-NE1 3.89Å; N892-W902 CarbonylContact C-O 3.47Å; N892-W902 VanDerWaalsContact C-O 3.31Å; N892-W902 CarbonylContact O-C 3.54Å; L894-W902 PolarHBondContact N-O 2.81Å; L894-W902 PolarHBondContact O-N 3.47Å; D896-W902 PolarHBondContact OD2-NE1 3.1Å; W902-Q906 HydrophobicContact CE3-CB 3.61Å; W902-Q906 HydrophobicContact CZ3-CB 4.01Å; W902-I910 HydrophobicContact CE3-CD1 3.8Å; W902-I910 HydrophobicContact CH2-CD1 3.35Å; W902-I910 HydrophobicContact CZ2-CD1 4.17Å; W902-I910 HydrophobicContact CZ3-CD1 3.13Å; W902-I910 HydrophobicContact CZ3-CG1 4.19Å
903	T	95.5	Very high	94.2	Very high	53 Å²	53	57 Å²	57	33%	0.325	28%	0.282	S	S	.	.			trans	-75.1	162.1	171.4	62.2	0	0	0	0	111.7	N892 E905 Q906 R907	N892-T903 WeakPolarHBondContact O-CA 3.27Å; T903-E905 VanDerWaalsContact C-N 3.33Å; T903-E905 PolarHBondContact O-N 3.17Å; T903-Q906 PolarHBondContact O-N 2.88Å; T903-Q906 WeakPolarHBondContact OG1-CG 3.14Å; T903-Q906 PolarHBondContact OG1-N 3.12Å; T903-Q906 PolarHBondContact OG1-OE1 3.14Å; T903-R907 WeakPolarHBondContact O-CG 3.47Å; T903-R907 PolarHBondContact O-N 2.84Å; T903-R907 VanDerWaalsContact O-N 3.12Å
904	Y	92.1	Very high	94.4	Very high	39 Å²	39	53.3 Å²	53.3	15%	0.153	26%	0.262	C	S	.	.	H	α-helix	trans	-53.5	-47.6	178.1	179.1	-97.3	0	0	0	112.8	R889 N892 R907 K908	R889-Y904 HydrophobicContact CB-CD2 4.4Å; R889-Y904 HydrophobicContact CB-CE2 4.37Å; R889-Y904 HydrophobicContact CG-CD2 4.12Å; R889-Y904 HydrophobicContact CG-CE1 4.13Å; R889-Y904 HydrophobicContact CG-CE2 3.63Å; N892-Y904 PolarHBondContact OD1-N 2.71Å; N892-Y904 VanDerWaalsContact OD1-N 3.07Å; Y904-R907 VanDerWaalsContact O-CG 3.22Å; Y904-R907 WeakPolarHBondContact O-CG 3.11Å; Y904-K908 HydrophobicContact CD1-CG 4.16Å; Y904-K908 HydrophobicContact CD2-CG 4.36Å; Y904-K908 HydrophobicContact CE1-CG 3.79Å; Y904-K908 HydrophobicContact CE2-CD 4.39Å; Y904-K908 HydrophobicContact CE2-CG 4Å; Y904-K908 HydrophobicContact CG-CG 4.44Å; Y904-K908 WeakPolarHBondContact O-CB 3.17Å; Y904-K908 VanDerWaalsContact O-CG 3.27Å; Y904-K908 WeakPolarHBondContact O-CG 3.44Å; Y904-K908 PolarHBondContact O-N 3.41Å
905	E	91.1	Very high	94.5	Very high	123 Å²	123	53.2 Å²	53.2	58%	0.575	26%	0.261	S	S	*	.	H	α-helix	trans	-65.1	-43.7	-179.1	-70.1	-62	152	0	0	111.8	T903 R907 K908 I909	T903-E905 VanDerWaalsContact C-N 3.33Å; T903-E905 PolarHBondContact O-N 3.17Å; E905-R907 PolarHBondContact O-N 3.19Å; E905-K908 PolarHBondContact O-N 2.94Å; E905-I909 VanDerWaalsContact O-CG1 3.28Å; E905-I909 WeakPolarHBondContact O-CG1 3.08Å; E905-I909 PolarHBondContact O-N 3.04Å
906	Q	93.8	Very high	94.7	Very high	90 Å²	90	47 Å²	47	42%	0.421	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-42.6	-179	-70.4	167.8	-42.7	0	0	111.9	W902 T903 I910	W902-Q906 HydrophobicContact CE3-CB 3.61Å; W902-Q906 HydrophobicContact CZ3-CB 4.01Å; T903-Q906 PolarHBondContact O-N 2.88Å; T903-Q906 WeakPolarHBondContact OG1-CG 3.14Å; T903-Q906 PolarHBondContact OG1-N 3.12Å; T903-Q906 PolarHBondContact OG1-OE1 3.14Å; Q906-I910 PolarHBondContact O-N 3.2Å
907	R	94.2	Very high	94.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-72.2	-34.5	177.5	68.5	-172.4	-171.7	-154.1	0.4	112.2	S885 W886 D888 F891 T903 Y904 E905 I910 E911	S885-R907 PolarHBondContact O-NH1 2.62Å; S885-R907 PolarHBondContact O-NH2 3.01Å; W886-R907 VanDerWaalsContact C-NH2 3.31Å; W886-R907 HydrophobicContact CD2-CB 4.35Å; W886-R907 HydrophobicContact CD2-CG 4.41Å; W886-R907 HydrophobicContact CE3-CB 4.41Å; W886-R907 HydrophobicContact CH2-CB 3.87Å; W886-R907 HydrophobicContact CZ2-CB 3.8Å; W886-R907 HydrophobicContact CZ2-CG 4.48Å; W886-R907 WeakPolarHBondContact CZ2-O 2.95Å; W886-R907 HydrophobicContact CZ3-CB 4.18Å; W886-R907 PolarHBondContact O-NE 3.22Å; W886-R907 PolarHBondContact O-NH2 2.8Å; D888-R907 PolarHBondContact O-NH2 2.81Å; F891-R907 PolarHBondContact O-NH1 3.42Å; F891-R907 PolarHBondContact O-NH2 2.8Å; T903-R907 WeakPolarHBondContact O-CG 3.47Å; T903-R907 PolarHBondContact O-N 2.84Å; T903-R907 VanDerWaalsContact O-N 3.12Å; Y904-R907 VanDerWaalsContact O-CG 3.22Å; Y904-R907 WeakPolarHBondContact O-CG 3.11Å; E905-R907 PolarHBondContact O-N 3.19Å; R907-I910 WeakPolarHBondContact O-CB 3.12Å; R907-I910 PolarHBondContact O-N 3.25Å; R907-E911 PolarHBondContact O-N 2.81Å
908	K	93.8	Very high	95	Very high	16 Å²	16	44.9 Å²	44.9	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-67.7	-35.4	174.5	-72.9	-71.1	169.2	-169.7	0	113	D887 Y904 E905 I910 E911 F912	D887-K908 IonicContact OD1-NZ 3.23Å; D887-K908 PolarHBondContact OD1-NZ 2.9Å; Y904-K908 HydrophobicContact CD1-CG 4.16Å; Y904-K908 HydrophobicContact CD2-CG 4.36Å; Y904-K908 HydrophobicContact CE1-CG 3.79Å; Y904-K908 HydrophobicContact CE2-CD 4.39Å; Y904-K908 HydrophobicContact CE2-CG 4Å; Y904-K908 HydrophobicContact CG-CG 4.44Å; Y904-K908 WeakPolarHBondContact O-CB 3.17Å; Y904-K908 VanDerWaalsContact O-CG 3.27Å; Y904-K908 WeakPolarHBondContact O-CG 3.44Å; Y904-K908 PolarHBondContact O-N 3.41Å; E905-K908 PolarHBondContact O-N 2.94Å; K908-I910 VanDerWaalsContact C-N 3.3Å; K908-I910 PolarHBondContact O-N 3.49Å; K908-E911 VanDerWaalsContact CD-OE2 3.3Å; K908-E911 WeakPolarHBondContact CD-OE2 3.41Å; K908-E911 WeakPolarHBondContact CE-OE2 3.37Å; K908-E911 IonicContact NZ-OE1 2.76Å; K908-E911 IonicContact NZ-OE2 2.76Å; K908-E911 PolarHBondContact NZ-OE2 3.1Å; K908-E911 PolarHBondContact O-N 2.82Å; K908-F912 HydrophobicContact CB-CE2 4.09Å; K908-F912 WeakPolarHBondContact O-CD2 3.29Å; K908-F912 WeakPolarHBondContact O-CG 3.21Å; K908-F912 PolarHBondContact O-N 3.37Å
909	I	94.9	Very high	95.1	Very high	70 Å²	70	37.5 Å²	37.5	36%	0.359	19%	0.19	S	C	.	.	H	α-helix	trans	-58.9	-44	170.3	-71	165.2	0	0	0	110.6	E905 T913 Y977	E905-I909 VanDerWaalsContact O-CG1 3.28Å; E905-I909 WeakPolarHBondContact O-CG1 3.08Å; E905-I909 PolarHBondContact O-N 3.04Å; I909-T913 WeakPolarHBondContact O-CB 3.24Å; I909-T913 PolarHBondContact O-N 2.99Å; I909-T913 PolarHBondContact O-OG1 2.91Å; I909-Y977 HydrophobicContact CB-CE1 4.34Å; I909-Y977 HydrophobicContact CG1-CE1 4Å; I909-Y977 HydrophobicContact CG2-CD1 3.96Å; I909-Y977 HydrophobicContact CG2-CE1 3.8Å
910	I	95.3	Very high	95.3	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.056	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-44.7	175.7	-68.4	172.2	0	0	0	110.9	L869 N872 W902 Q906 R907 K908 F912 T913 C914	L869-I910 HydrophobicContact CD2-CG2 3.77Å; N872-I910 HydrophobicContact CB-CD1 3.74Å; N872-I910 HydrophobicContact CB-CG1 4.48Å; W902-I910 HydrophobicContact CE3-CD1 3.8Å; W902-I910 HydrophobicContact CH2-CD1 3.35Å; W902-I910 HydrophobicContact CZ2-CD1 4.17Å; W902-I910 HydrophobicContact CZ3-CD1 3.13Å; W902-I910 HydrophobicContact CZ3-CG1 4.19Å; Q906-I910 PolarHBondContact O-N 3.2Å; R907-I910 WeakPolarHBondContact O-CB 3.12Å; R907-I910 PolarHBondContact O-N 3.25Å; K908-I910 VanDerWaalsContact C-N 3.3Å; K908-I910 PolarHBondContact O-N 3.49Å; I910-F912 PolarHBondContact O-N 3.15Å; I910-T913 CarbonylContact O-C 3.49Å; I910-T913 WeakPolarHBondContact O-CA 3.3Å; I910-T913 WeakPolarHBondContact O-CB 3.28Å; I910-T913 PolarHBondContact O-N 3.15Å; I910-T913 VanDerWaalsContact O-N 3.14Å; I910-C914 PolarHBondContact O-N 3.04Å; I910-C914 PolarHBondContact O-SG 3.5Å; I910-C914 VanDerWaalsContact O-SG 3.39Å
911	E	95.5	Very high	95.5	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-57.7	-47.7	177.8	-173.2	-175	149.1	0	0	112	W886 R907 K908 T913 C914 H915	W886-E911 HydrophobicContact CZ2-CB 4.1Å; W886-E911 PolarHBondContact NE1-OE2 3.18Å; R907-E911 PolarHBondContact O-N 2.81Å; K908-E911 VanDerWaalsContact CD-OE2 3.3Å; K908-E911 WeakPolarHBondContact CD-OE2 3.41Å; K908-E911 WeakPolarHBondContact CE-OE2 3.37Å; K908-E911 IonicContact NZ-OE1 2.76Å; K908-E911 IonicContact NZ-OE2 2.76Å; K908-E911 PolarHBondContact NZ-OE2 3.1Å; K908-E911 PolarHBondContact O-N 2.82Å; E911-T913 VanDerWaalsContact C-N 3.29Å; E911-T913 PolarHBondContact O-N 3.26Å; E911-C914 CarbonylContact O-C 3.31Å; E911-C914 WeakPolarHBondContact O-CA 3.2Å; E911-C914 VanDerWaalsContact O-CB 3.23Å; E911-C914 WeakPolarHBondContact O-CB 3.4Å; E911-C914 PolarHBondContact O-N 3.42Å; E911-C914 VanDerWaalsContact O-N 3.07Å; E911-H915 PolarHBondContact O-CD2 3.39Å; E911-H915 PolarHBondContact O-N 3.49Å; E911-H915 IonicContact OE1-CE1 3.03Å; E911-H915 IonicContact OE1-NE2 3.84Å
912	F	95.5	Very high	95.7	Very high	29 Å²	29	24.5 Å²	24.5	13%	0.127	12%	0.118	C	C	.	.	H	α-helix	trans	-68.2	-29.8	177.1	-63	-41.4	0	0	0	112.7	K908 I910 C914 H915 T916 R975 Y977	K908-F912 HydrophobicContact CB-CE2 4.09Å; K908-F912 WeakPolarHBondContact O-CD2 3.29Å; K908-F912 WeakPolarHBondContact O-CG 3.21Å; K908-F912 PolarHBondContact O-N 3.37Å; I910-F912 PolarHBondContact O-N 3.15Å; F912-C914 VanDerWaalsContact C-N 3.35Å; F912-H915 AromaticContact CD1-CE1 3.86Å; F912-H915 AromaticContact CD1-ND1 3.67Å; F912-H915 PolarHBondContact O-N 3.16Å; F912-T916 PolarHBondContact O-N 2.77Å; F912-T916 PolarHBondContact O-OG1 2.81Å; F912-R975 HydrophobicContact CB-CB 4.46Å; F912-R975 HydrophobicContact CD1-CB 4.04Å; F912-R975 HydrophobicContact CD2-CB 4.38Å; F912-R975 HydrophobicContact CE1-CB 4.44Å; F912-R975 HydrophobicContact CG-CB 4.04Å; F912-R975 VanDerWaalsContact CZ-CD 3.49Å; F912-Y977 HydrophobicContact CB-CD2 3.44Å; F912-Y977 VanDerWaalsContact CB-CD2 3.44Å; F912-Y977 HydrophobicContact CB-CE2 3.46Å; F912-Y977 VanDerWaalsContact CB-CE2 3.46Å; F912-Y977 AromaticContact CD2-CE2 3.82Å; F912-Y977 HydrophobicContact CD2-CE2 3.82Å; F912-Y977 HydrophobicContact CG-CD2 4.48Å; F912-Y977 HydrophobicContact CG-CE2 4.05Å
913	T	96	Very high	95.8	Very high	15 Å²	15	22.6 Å²	22.6	9%	0.092	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-39.9	169.2	-56.5	0	0	0	0	111.1	I909 I910 E911 T916 A917 Y977 W983	I909-T913 WeakPolarHBondContact O-CB 3.24Å; I909-T913 PolarHBondContact O-N 2.99Å; I909-T913 PolarHBondContact O-OG1 2.91Å; I910-T913 CarbonylContact O-C 3.49Å; I910-T913 WeakPolarHBondContact O-CA 3.3Å; I910-T913 WeakPolarHBondContact O-CB 3.28Å; I910-T913 PolarHBondContact O-N 3.15Å; I910-T913 VanDerWaalsContact O-N 3.14Å; E911-T913 VanDerWaalsContact C-N 3.29Å; E911-T913 PolarHBondContact O-N 3.26Å; T913-T916 PolarHBondContact O-N 2.95Å; T913-A917 WeakPolarHBondContact O-CB 3.42Å; T913-A917 PolarHBondContact O-N 3.45Å; T913-Y977 WeakPolarHBondContact OG1-CB 3.37Å; T913-W983 HydrophobicContact CG2-CE3 4.24Å; T913-W983 HydrophobicContact CG2-CH2 3.95Å; T913-W983 HydrophobicContact CG2-CZ3 3.36Å
914	C	96.8	Very high	95.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62	-43.3	171.6	-70.9	0	0	0	0	111.6	Y865 I868 I910 E911 F912 T916 A917 F918	Y865-C914 HydrophobicContact CD2-CB 3.92Å; Y865-C914 HydrophobicContact CE2-CB 4.36Å; I868-C914 VanDerWaalsContact CG2-SG 3.56Å; I910-C914 PolarHBondContact O-N 3.04Å; I910-C914 PolarHBondContact O-SG 3.5Å; I910-C914 VanDerWaalsContact O-SG 3.39Å; E911-C914 CarbonylContact O-C 3.31Å; E911-C914 WeakPolarHBondContact O-CA 3.2Å; E911-C914 VanDerWaalsContact O-CB 3.23Å; E911-C914 WeakPolarHBondContact O-CB 3.4Å; E911-C914 PolarHBondContact O-N 3.42Å; E911-C914 VanDerWaalsContact O-N 3.07Å; F912-C914 VanDerWaalsContact C-N 3.35Å; C914-T916 VanDerWaalsContact C-N 3.3Å; C914-T916 PolarHBondContact O-N 3.16Å; C914-A917 PolarHBondContact O-N 2.96Å; C914-F918 WeakPolarHBondContact O-CB 3.34Å; C914-F918 PolarHBondContact O-N 2.98Å
915	H	96.5	Very high	96.2	Very high	10 Å²	10	18.2 Å²	18.2	5%	0.046	9%	0.088	C	C	.	.	H	α-helix	trans	-57.8	-45.7	175.2	-63.6	178.7	0	0	0	111	L796 P797 T802 E911 F912 A917 F918 F919	L796-H915 PolarHBondContact O-CD2 3.1Å; L796-H915 PolarHBondContact O-NE2 3.05Å; P797-H915 PolarHBondContact O-CD2 3.29Å; T802-H915 HydrophobicContact CG2-CB 4.04Å; E911-H915 PolarHBondContact O-CD2 3.39Å; E911-H915 PolarHBondContact O-N 3.49Å; E911-H915 IonicContact OE1-CE1 3.03Å; E911-H915 IonicContact OE1-NE2 3.84Å; F912-H915 AromaticContact CD1-CE1 3.86Å; F912-H915 AromaticContact CD1-ND1 3.67Å; F912-H915 PolarHBondContact O-N 3.16Å; H915-A917 VanDerWaalsContact C-N 3.33Å; H915-A917 PolarHBondContact O-N 3.49Å; H915-F918 PolarHBondContact O-N 3.39Å; H915-F919 VanDerWaalsContact O-CB 3.31Å; H915-F919 WeakPolarHBondContact O-CB 3.37Å; H915-F919 PolarHBondContact O-N 2.92Å
916	T	97.1	Very high	96.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.7	-38.1	-179.7	-48.2	0	0	0	0	111.9	F912 T913 C914 F919 A920 M976 Y977 M979	F912-T916 PolarHBondContact O-N 2.77Å; F912-T916 PolarHBondContact O-OG1 2.81Å; T913-T916 PolarHBondContact O-N 2.95Å; C914-T916 VanDerWaalsContact C-N 3.3Å; C914-T916 PolarHBondContact O-N 3.16Å; T916-F919 WeakPolarHBondContact O-CB 3.44Å; T916-A920 PolarHBondContact O-N 3.22Å; T916-M976 HydrophobicContact CG2-CB 4.19Å; T916-M976 HydrophobicContact CG2-CG 4.33Å; T916-M976 WeakPolarHBondContact OG1-CA 3.34Å; T916-Y977 WeakPolarHBondContact CG2-O 3.41Å; T916-Y977 PolarHBondContact OG1-N 2.77Å; T916-M979 HydrophobicContact CG2-CE 4.23Å; T916-M979 HydrophobicContact CG2-CG 4.16Å; T916-M979 HydrophobicContact CG2-SD 4.25Å
917	A	96.8	Very high	96.7	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	5%	0.051	C	C	.	.	H	α-helix	trans	-78.3	-31.4	178.7	0	0	0	0	0	114	T864 I868 T913 C914 H915 S921 M979	T864-A917 HydrophobicContact CG2-CB 3.79Å; I868-A917 HydrophobicContact CD1-CB 3.05Å; T913-A917 WeakPolarHBondContact O-CB 3.42Å; T913-A917 PolarHBondContact O-N 3.45Å; C914-A917 PolarHBondContact O-N 2.96Å; H915-A917 VanDerWaalsContact C-N 3.33Å; H915-A917 PolarHBondContact O-N 3.49Å; A917-S921 WeakPolarHBondContact O-CB 3.49Å; A917-S921 PolarHBondContact O-N 2.85Å; A917-S921 PolarHBondContact O-OG 3.32Å; A917-M979 WeakPolarHBondContact CA-SD 3.44Å; A917-M979 HydrophobicContact CB-CG 4.4Å; A917-M979 HydrophobicContact CB-SD 3.57Å; A917-M979 VanDerWaalsContact CB-SD 3.57Å
918	F	97.8	Very high	96.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.6	-46.7	169.4	-159.1	-62.3	0	0	0	109.5	P781 P785 P797 L798 G861 F862 C914 H915 A920 S921 I922	P781-F918 HydrophobicContact CB-CE1 4.16Å; P781-F918 WeakPolarHBondContact O-CE1 3.3Å; P785-F918 HydrophobicContact CG-CE1 4.01Å; P785-F918 HydrophobicContact CG-CE2 4.02Å; P785-F918 HydrophobicContact CG-CZ 3.61Å; P797-F918 HydrophobicContact CB-CD2 3.94Å; P797-F918 HydrophobicContact CB-CE2 4Å; L798-F918 HydrophobicContact CB-CD1 4.27Å; L798-F918 HydrophobicContact CB-CG 4.32Å; L798-F918 HydrophobicContact CD1-CB 4Å; L798-F918 HydrophobicContact CD1-CD1 3.97Å; L798-F918 HydrophobicContact CD1-CG 4.22Å; L798-F918 HydrophobicContact CD2-CD1 4.24Å; L798-F918 HydrophobicContact CD2-CE1 4.46Å; L798-F918 HydrophobicContact CG-CD1 4.39Å; G861-F918 VanDerWaalsContact C-CD2 3.43Å; G861-F918 VanDerWaalsContact O-CD2 3.31Å; G861-F918 WeakPolarHBondContact O-CD2 3.21Å; G861-F918 WeakPolarHBondContact O-CE2 3.02Å; F862-F918 HydrophobicContact CD1-CE2 4.04Å; F862-F918 HydrophobicContact CE1-CE2 4.27Å; F862-F918 HydrophobicContact CG-CE2 4.29Å; C914-F918 WeakPolarHBondContact O-CB 3.34Å; C914-F918 PolarHBondContact O-N 2.98Å; H915-F918 PolarHBondContact O-N 3.39Å; F918-A920 PolarHBondContact O-N 3.18Å; F918-S921 WeakPolarHBondContact O-CA 3.48Å; F918-S921 VanDerWaalsContact O-CB 3.27Å; F918-S921 WeakPolarHBondContact O-CB 3.46Å; F918-S921 PolarHBondContact O-N 3.02Å; F918-S921 VanDerWaalsContact O-N 3.07Å; F918-I922 HydrophobicContact CD1-CD1 3.84Å; F918-I922 HydrophobicContact CD1-CG1 4.12Å; F918-I922 HydrophobicContact CE1-CD1 3.92Å; F918-I922 HydrophobicContact CE1-CG1 4.18Å; F918-I922 PolarHBondContact O-N 3.1Å
919	F	97.6	Very high	97.1	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	5%	0.05	C	C	.	.	H	α-helix	trans	-53.6	-50.6	171.8	161.9	-97	0	0	0	112.5	L798 C805 I806 T810 H915 T916 S921 I922 V923 A961 L964 M976	L798-F919 HydrophobicContact CD1-CB 4.39Å; C805-F919 HydrophobicContact CB-CD2 4.43Å; C805-F919 HydrophobicContact CB-CE2 3.92Å; I806-F919 HydrophobicContact CD1-CD2 3.99Å; I806-F919 HydrophobicContact CG1-CD2 3.49Å; I806-F919 VanDerWaalsContact CG1-CD2 3.49Å; I806-F919 HydrophobicContact CG1-CE2 3.7Å; T810-F919 HydrophobicContact CG2-CE2 3.94Å; T810-F919 HydrophobicContact CG2-CZ 3.62Å; H915-F919 VanDerWaalsContact O-CB 3.31Å; H915-F919 WeakPolarHBondContact O-CB 3.37Å; H915-F919 PolarHBondContact O-N 2.92Å; T916-F919 WeakPolarHBondContact O-CB 3.44Å; F919-S921 VanDerWaalsContact C-N 3.25Å; F919-S921 PolarHBondContact O-N 3.05Å; F919-I922 WeakPolarHBondContact O-CB 3.32Å; F919-I922 PolarHBondContact O-N 2.9Å; F919-I922 VanDerWaalsContact O-N 3.17Å; F919-V923 HydrophobicContact CE2-CG2 4.41Å; F919-V923 HydrophobicContact CZ-CG2 4.23Å; F919-V923 PolarHBondContact O-N 3.4Å; F919-V923 VanDerWaalsContact O-N 3.14Å; F919-A961 HydrophobicContact CE1-CB 3.78Å; F919-A961 HydrophobicContact CZ-CB 4.07Å; F919-L964 HydrophobicContact CZ-CD1 4.08Å; F919-M976 HydrophobicContact CB-CE 4.2Å; F919-M976 HydrophobicContact CD1-CE 3.51Å; F919-M976 HydrophobicContact CD2-CE 3.85Å; F919-M976 HydrophobicContact CE1-CE 3.75Å; F919-M976 HydrophobicContact CE2-CE 4.09Å; F919-M976 HydrophobicContact CG-CE 3.56Å; F919-M976 HydrophobicContact CZ-CE 4.04Å
920	A	97.3	Very high	97.3	Very high	2 Å²	2	7 Å²	7	2%	0.017	3%	0.032	C	C	.	.	H	α-helix	trans	-65.5	-31	177.5	0	0	0	0	0	112.4	T916 F918 I922 V923 V924 M979 W984	T916-A920 PolarHBondContact O-N 3.22Å; F918-A920 PolarHBondContact O-N 3.18Å; A920-I922 VanDerWaalsContact C-N 3.34Å; A920-V923 PolarHBondContact O-N 3.2Å; A920-V924 WeakPolarHBondContact O-CG2 3.34Å; A920-V924 PolarHBondContact O-N 3.39Å; A920-M979 HydrophobicContact CB-CE 3.36Å; A920-M979 HydrophobicContact CB-SD 3.95Å; A920-W984 HydrophobicContact CB-CH2 4.38Å; A920-W984 HydrophobicContact CB-CZ2 4.44Å; A920-W984 HydrophobicContact CB-CZ3 4.43Å
921	S	97.9	Very high	97.4	Very high	3 Å²	3	8 Å²	8	2%	0.021	4%	0.038	C	C	.	.	H	α-helix	trans	-63.9	-41	174	-61.8	0	0	0	0	111.6	T864 A917 F918 F919 V924 V925	T864-S921 VanDerWaalsContact CB-OG 3.24Å; T864-S921 WeakPolarHBondContact CB-OG 3.3Å; T864-S921 WeakPolarHBondContact CG2-OG 3.44Å; T864-S921 PolarHBondContact OG1-OG 3.41Å; A917-S921 WeakPolarHBondContact O-CB 3.49Å; A917-S921 PolarHBondContact O-N 2.85Å; A917-S921 PolarHBondContact O-OG 3.32Å; F918-S921 WeakPolarHBondContact O-CA 3.48Å; F918-S921 VanDerWaalsContact O-CB 3.27Å; F918-S921 WeakPolarHBondContact O-CB 3.46Å; F918-S921 PolarHBondContact O-N 3.02Å; F918-S921 VanDerWaalsContact O-N 3.07Å; F919-S921 VanDerWaalsContact C-N 3.25Å; F919-S921 PolarHBondContact O-N 3.05Å; S921-V924 PolarHBondContact O-N 2.71Å; S921-V925 WeakPolarHBondContact O-CG2 3.45Å; S921-V925 PolarHBondContact O-N 3.26Å; S921-V925 VanDerWaalsContact O-N 3.09Å
922	I	97.9	Very high	97.5	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-59.1	-49.8	173.7	-66.2	170.9	0	0	0	109.8	P781 E782 L798 I806 F918 F919 A920 V924 V925 Q926	P781-I922 HydrophobicContact CB-CD1 4.03Å; P781-I922 HydrophobicContact CB-CG1 3.97Å; P781-I922 HydrophobicContact CG-CD1 4.32Å; P781-I922 HydrophobicContact CG-CG1 4.21Å; E782-I922 HydrophobicContact CG-CD1 4.24Å; L798-I922 HydrophobicContact CD2-CD1 4.06Å; I806-I922 HydrophobicContact CD1-CB 4.25Å; I806-I922 HydrophobicContact CD1-CD1 3.46Å; I806-I922 VanDerWaalsContact CD1-CD1 3.46Å; I806-I922 HydrophobicContact CD1-CG1 4.45Å; I806-I922 HydrophobicContact CD1-CG2 4.09Å; I806-I922 HydrophobicContact CG2-CG2 4.3Å; F918-I922 HydrophobicContact CD1-CD1 3.84Å; F918-I922 HydrophobicContact CD1-CG1 4.12Å; F918-I922 HydrophobicContact CE1-CD1 3.92Å; F918-I922 HydrophobicContact CE1-CG1 4.18Å; F918-I922 PolarHBondContact O-N 3.1Å; F919-I922 WeakPolarHBondContact O-CB 3.32Å; F919-I922 PolarHBondContact O-N 2.9Å; F919-I922 VanDerWaalsContact O-N 3.17Å; A920-I922 VanDerWaalsContact C-N 3.34Å; I922-V924 VanDerWaalsContact C-N 3.31Å; I922-V924 PolarHBondContact O-N 3.18Å; I922-V925 WeakPolarHBondContact O-CG2 3.3Å; I922-V925 PolarHBondContact O-N 2.92Å; I922-V925 VanDerWaalsContact O-N 3.15Å; I922-Q926 HydrophobicContact CG2-CG 3.99Å; I922-Q926 WeakPolarHBondContact O-CB 3.35Å; I922-Q926 VanDerWaalsContact O-CG 3.29Å; I922-Q926 WeakPolarHBondContact O-CG 3.24Å; I922-Q926 PolarHBondContact O-N 3.17Å
923	V	97.9	Very high	97.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-56	-43.8	177	173.5	0	0	0	0	112	T810 F919 A920 V925 Q926 W927 E957 A961	T810-V923 HydrophobicContact CG2-CG2 3.99Å; F919-V923 HydrophobicContact CE2-CG2 4.41Å; F919-V923 HydrophobicContact CZ-CG2 4.23Å; F919-V923 PolarHBondContact O-N 3.4Å; F919-V923 VanDerWaalsContact O-N 3.14Å; A920-V923 PolarHBondContact O-N 3.2Å; V923-V925 PolarHBondContact O-N 2.98Å; V923-Q926 PolarHBondContact O-N 3.38Å; V923-W927 PolarHBondContact O-N 2.81Å; V923-W927 VanDerWaalsContact O-N 3.15Å; V923-W927 PolarHBondContact O-NE1 3.39Å; V923-E957 HydrophobicContact CG1-CG 3.97Å; V923-A961 HydrophobicContact CB-CB 4.47Å; V923-A961 HydrophobicContact CG1-CB 4.17Å; V923-A961 HydrophobicContact CG2-CB 4.01Å
924	V	98.1	Very high	97.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.6	-38.1	179.8	170.1	0	0	0	0	112.6	A920 S921 I922 W927 W984 A987 F988 S991	A920-V924 WeakPolarHBondContact O-CG2 3.34Å; A920-V924 PolarHBondContact O-N 3.39Å; S921-V924 PolarHBondContact O-N 2.71Å; I922-V924 VanDerWaalsContact C-N 3.31Å; I922-V924 PolarHBondContact O-N 3.18Å; V924-W927 HydrophobicContact CB-CE3 4.47Å; V924-W927 HydrophobicContact CB-CZ3 4.43Å; V924-W927 HydrophobicContact CG1-CE3 4.22Å; V924-W927 HydrophobicContact CG1-CZ3 4.17Å; V924-W927 HydrophobicContact CG2-CH2 3.87Å; V924-W927 HydrophobicContact CG2-CZ2 4.18Å; V924-W927 HydrophobicContact CG2-CZ3 4.04Å; V924-W927 WeakPolarHBondContact O-CB 3.33Å; V924-W984 HydrophobicContact CG2-CE3 4.29Å; V924-A987 HydrophobicContact CB-CB 4.03Å; V924-A987 HydrophobicContact CG1-CB 3.94Å; V924-F988 HydrophobicContact CG1-CB 4.5Å; V924-F988 HydrophobicContact CG1-CD2 4.41Å; V924-S991 WeakPolarHBondContact O-CB 3.5Å; V924-S991 PolarHBondContact O-OG 3.28Å
925	V	98.4	Very high	97.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-78.8	-28.1	176	-62.5	0	0	0	0	112.4	Q857 A860 S921 I922 V923 W927 A928 D929 A987 I994	Q857-V925 HydrophobicContact CB-CG2 3.7Å; Q857-V925 HydrophobicContact CG-CB 3.95Å; Q857-V925 HydrophobicContact CG-CG2 3.45Å; Q857-V925 VanDerWaalsContact CG-CG2 3.45Å; A860-V925 HydrophobicContact CB-CG1 3.72Å; S921-V925 WeakPolarHBondContact O-CG2 3.45Å; S921-V925 PolarHBondContact O-N 3.26Å; S921-V925 VanDerWaalsContact O-N 3.09Å; I922-V925 WeakPolarHBondContact O-CG2 3.3Å; I922-V925 PolarHBondContact O-N 2.92Å; I922-V925 VanDerWaalsContact O-N 3.15Å; V923-V925 PolarHBondContact O-N 2.98Å; V925-W927 PolarHBondContact O-N 3.12Å; V925-A928 PolarHBondContact O-N 2.7Å; V925-A928 VanDerWaalsContact O-N 3.14Å; V925-D929 PolarHBondContact O-N 2.88Å; V925-A987 HydrophobicContact CG1-CB 4.35Å; V925-I994 HydrophobicContact CB-CD1 3.86Å; V925-I994 HydrophobicContact CG1-CD1 4.24Å
926	Q	98.1	Very high	97.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.9	-26	172.2	-74.9	-63.3	71.4	0	0	112.4	Y774 D811 I922 V923 A928 D929 V930 E957	Y774-Q926 HydrophobicContact CE2-CB 4.07Å; Y774-Q926 HydrophobicContact CE2-CG 4.3Å; Y774-Q926 VanDerWaalsContact CZ-NE2 3.33Å; Y774-Q926 PolarHBondContact O-NE2 3.13Å; D811-Q926 PolarHBondContact OD2-NE2 2.82Å; I922-Q926 HydrophobicContact CG2-CG 3.99Å; I922-Q926 WeakPolarHBondContact O-CB 3.35Å; I922-Q926 VanDerWaalsContact O-CG 3.29Å; I922-Q926 WeakPolarHBondContact O-CG 3.24Å; I922-Q926 PolarHBondContact O-N 3.17Å; V923-Q926 PolarHBondContact O-N 3.38Å; Q926-A928 VanDerWaalsContact C-N 3.33Å; Q926-A928 PolarHBondContact O-N 3.23Å; Q926-D929 PolarHBondContact O-N 2.95Å; Q926-D929 PolarHBondContact OE1-OD2 3.01Å; Q926-V930 WeakPolarHBondContact O-CG1 3.45Å; Q926-V930 PolarHBondContact O-N 2.98Å; Q926-E957 WeakPolarHBondContact CB-OE1 3.43Å
927	W	98	Very high	97.6	Very high	58 Å²	58	9.3 Å²	9.3	22%	0.22	4%	0.041	C	C	.	.	H	α-helix	trans	-58.1	-44.8	169.7	-60.2	-15.7	0	0	0	112.7	V923 V924 V925 V930 I931 L954 T958	V923-W927 PolarHBondContact O-N 2.81Å; V923-W927 VanDerWaalsContact O-N 3.15Å; V923-W927 PolarHBondContact O-NE1 3.39Å; V924-W927 HydrophobicContact CB-CE3 4.47Å; V924-W927 HydrophobicContact CB-CZ3 4.43Å; V924-W927 HydrophobicContact CG1-CE3 4.22Å; V924-W927 HydrophobicContact CG1-CZ3 4.17Å; V924-W927 HydrophobicContact CG2-CH2 3.87Å; V924-W927 HydrophobicContact CG2-CZ2 4.18Å; V924-W927 HydrophobicContact CG2-CZ3 4.04Å; V924-W927 WeakPolarHBondContact O-CB 3.33Å; V925-W927 PolarHBondContact O-N 3.12Å; W927-V930 WeakPolarHBondContact O-CG1 3.25Å; W927-I931 VanDerWaalsContact O-CD1 3.25Å; W927-I931 WeakPolarHBondContact O-CD1 3.33Å; W927-I931 WeakPolarHBondContact O-CG1 3.46Å; W927-I931 PolarHBondContact O-N 3.15Å; W927-L954 HydrophobicContact CB-CD2 4.06Å; W927-L954 HydrophobicContact CG-CD2 4.08Å; W927-T958 HydrophobicContact CH2-CG2 4.46Å; W927-T958 HydrophobicContact CZ2-CG2 3.71Å; W927-T958 VanDerWaalsContact CZ2-OG1 3.27Å; W927-T958 WeakPolarHBondContact CZ2-OG1 3.32Å; W927-T958 PolarHBondContact NE1-OG1 3.27Å; W927-T958 VanDerWaalsContact NE1-OG1 3.07Å
928	A	98	Very high	97.6	Very high	4 Å²	4	10.7 Å²	10.7	3%	0.033	5%	0.048	C	C	.	.	H	α-helix	trans	-71.1	-40.2	175.2	0	0	0	0	0	110.4	V925 Q926 I931 I932 S991 I994 F995	V925-A928 PolarHBondContact O-N 2.7Å; V925-A928 VanDerWaalsContact O-N 3.14Å; Q926-A928 VanDerWaalsContact C-N 3.33Å; Q926-A928 PolarHBondContact O-N 3.23Å; A928-I931 WeakPolarHBondContact O-CB 3.18Å; A928-I931 PolarHBondContact O-N 2.78Å; A928-I932 WeakPolarHBondContact O-CG1 3.43Å; A928-I932 WeakPolarHBondContact O-CG2 3.32Å; A928-I932 PolarHBondContact O-N 3.28Å; A928-S991 WeakPolarHBondContact CB-O 3.35Å; A928-S991 VanDerWaalsContact CB-OG 3.31Å; A928-S991 WeakPolarHBondContact CB-OG 3.47Å; A928-I994 HydrophobicContact CB-CB 4.11Å; A928-I994 HydrophobicContact CB-CG2 3.94Å; A928-F995 HydrophobicContact CB-CB 4.27Å
929	D	98.3	Very high	97.6	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-60	-49.8	-178.7	-160.1	46.7	0	0	0	112.5	Y774 T777 I853 V925 Q926 I931 I932 C933	Y774-D929 HydrophobicContact CD2-CB 4.12Å; Y774-D929 WeakPolarHBondContact CD2-OD2 3.22Å; Y774-D929 HydrophobicContact CE2-CB 4.31Å; T777-D929 WeakPolarHBondContact CB-OD2 3.31Å; T777-D929 PolarHBondContact OG1-OD2 3.07Å; I853-D929 WeakPolarHBondContact CG2-OD1 3.4Å; V925-D929 PolarHBondContact O-N 2.88Å; Q926-D929 PolarHBondContact O-N 2.95Å; Q926-D929 PolarHBondContact OE1-OD2 3.01Å; D929-I931 PolarHBondContact O-N 3.31Å; D929-I932 WeakPolarHBondContact O-CG1 3.49Å; D929-I932 PolarHBondContact O-N 2.76Å; D929-I932 VanDerWaalsContact O-N 3.1Å; D929-C933 VanDerWaalsContact O-CB 3.3Å; D929-C933 WeakPolarHBondContact O-CB 3.31Å; D929-C933 PolarHBondContact O-N 3.14Å; D929-C933 PolarHBondContact O-SG 2.77Å
930	V	97.7	Very high	97.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.9	-33.7	177.8	73.8	0	0	0	0	111.8	Y774 P814 L818 Q926 W927 K934 L950 L954	Y774-V930 HydrophobicContact CD2-CB 3.93Å; Y774-V930 HydrophobicContact CD2-CG2 4.43Å; Y774-V930 HydrophobicContact CE2-CB 3.66Å; Y774-V930 HydrophobicContact CE2-CG2 4.33Å; P814-V930 HydrophobicContact CB-CG2 4.02Å; L818-V930 HydrophobicContact CD1-CG2 4.32Å; L818-V930 HydrophobicContact CD2-CG2 4.21Å; L818-V930 HydrophobicContact CG-CG2 4.25Å; Q926-V930 WeakPolarHBondContact O-CG1 3.45Å; Q926-V930 PolarHBondContact O-N 2.98Å; W927-V930 WeakPolarHBondContact O-CG1 3.25Å; V930-K934 PolarHBondContact O-N 3.09Å; V930-K934 VanDerWaalsContact O-N 3.11Å; V930-L950 HydrophobicContact CG2-CD1 4.02Å; V930-L950 HydrophobicContact CG2-CG 4.08Å; V930-L954 HydrophobicContact CG1-CD2 3.54Å; V930-L954 HydrophobicContact CG1-CG 4.16Å
931	I	97.8	Very high	97.3	Very high	34 Å²	34	19.8 Å²	19.8	17%	0.174	9%	0.089	C	C	.	.	H	α-helix	trans	-70.6	-38	177	-69.6	171.4	0	0	0	111.3	W927 A928 D929 K934 L940 M945 F995	W927-I931 VanDerWaalsContact O-CD1 3.25Å; W927-I931 WeakPolarHBondContact O-CD1 3.33Å; W927-I931 WeakPolarHBondContact O-CG1 3.46Å; W927-I931 PolarHBondContact O-N 3.15Å; A928-I931 WeakPolarHBondContact O-CB 3.18Å; A928-I931 PolarHBondContact O-N 2.78Å; D929-I931 PolarHBondContact O-N 3.31Å; I931-K934 WeakPolarHBondContact O-CB 3.45Å; I931-L940 HydrophobicContact CG2-CD1 3.94Å; I931-L940 HydrophobicContact CG2-CD2 3.62Å; I931-L940 HydrophobicContact CG2-CG 4.35Å; I931-M945 HydrophobicContact CD1-CE 4.36Å; I931-M945 HydrophobicContact CG1-CE 4.06Å; I931-F995 HydrophobicContact CG2-CD2 4.06Å; I931-F995 HydrophobicContact CG2-CE2 3.98Å
932	I	97.5	Very high	97.1	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-77.2	-41.9	178.2	61.8	159.3	0	0	0	111.5	I853 A928 D929 K934 T935 I994 F995 D998	I853-I932 HydrophobicContact CD1-CD1 3.95Å; I853-I932 HydrophobicContact CG1-CD1 4.08Å; I853-I932 HydrophobicContact CG2-CD1 4.33Å; A928-I932 WeakPolarHBondContact O-CG1 3.43Å; A928-I932 WeakPolarHBondContact O-CG2 3.32Å; A928-I932 PolarHBondContact O-N 3.28Å; D929-I932 WeakPolarHBondContact O-CG1 3.49Å; D929-I932 PolarHBondContact O-N 2.76Å; D929-I932 VanDerWaalsContact O-N 3.1Å; I932-K934 PolarHBondContact O-N 3.5Å; I932-T935 PolarHBondContact O-N 3.04Å; I932-I994 HydrophobicContact CD1-CG2 3.6Å; I932-I994 HydrophobicContact CG1-CG2 4.28Å; I932-F995 HydrophobicContact CG2-CD2 4.22Å; I932-D998 HydrophobicContact CB-CB 3.84Å; I932-D998 WeakPolarHBondContact CB-OD2 3.48Å; I932-D998 HydrophobicContact CD1-CB 3.69Å; I932-D998 HydrophobicContact CG1-CB 4.37Å; I932-D998 HydrophobicContact CG2-CB 3.73Å
933	C	97.7	Very high	96.9	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-63.2	-21.6	175.4	-74.5	0	0	0	0	112.8	K770 L818 D929 T935	K770-C933 VanDerWaalsContact CB-O 3.3Å; K770-C933 WeakPolarHBondContact CB-O 3.35Å; K770-C933 VanDerWaalsContact CD-O 3.26Å; K770-C933 WeakPolarHBondContact CD-O 3.28Å; K770-C933 WeakPolarHBondContact CG-O 3.39Å; L818-C933 HydrophobicContact CD1-CB 4.39Å; D929-C933 VanDerWaalsContact O-CB 3.3Å; D929-C933 WeakPolarHBondContact O-CB 3.31Å; D929-C933 PolarHBondContact O-N 3.14Å; D929-C933 PolarHBondContact O-SG 2.77Å; C933-T935 PolarHBondContact O-N 3.39Å; C933-T935 VanDerWaalsContact O-N 3.14Å
934	K	97.3	Very high	96.8	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.017	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-36.1	170.9	-175.5	173.2	163.8	52.3	0	113.4	K770 E821 V930 I931 I932 L940 G944 M945 L950	K770-K934 WeakPolarHBondContact CE-O 3.41Å; K770-K934 PolarHBondContact NZ-O 3.36Å; E821-K934 VanDerWaalsContact CD-CG 3.48Å; E821-K934 HydrophobicContact CG-CG 4.25Å; E821-K934 IonicContact OE1-NZ 3.39Å; E821-K934 PolarHBondContact OE1-NZ 3.48Å; E821-K934 IonicContact OE2-NZ 2.78Å; E821-K934 PolarHBondContact OE2-NZ 3.35Å; V930-K934 PolarHBondContact O-N 3.09Å; V930-K934 VanDerWaalsContact O-N 3.11Å; I931-K934 WeakPolarHBondContact O-CB 3.45Å; I932-K934 PolarHBondContact O-N 3.5Å; K934-L940 HydrophobicContact CD-CD1 4.09Å; K934-G944 WeakPolarHBondContact CE-O 3.41Å; K934-M945 HydrophobicContact CD-SD 3.91Å; K934-L950 HydrophobicContact CD-CD1 4.33Å; K934-L950 HydrophobicContact CG-CD1 4.47Å
935	T	97.3	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.			trans	-133	125.4	-175.8	53.8	0	0	0	0	111	E824 I932 C933 N938 Q943 K1002	E824-T935 WeakPolarHBondContact OE1-CA 3.42Å; I932-T935 PolarHBondContact O-N 3.04Å; C933-T935 PolarHBondContact O-N 3.39Å; C933-T935 VanDerWaalsContact O-N 3.14Å; T935-N938 WeakPolarHBondContact CB-O 3.49Å; T935-N938 HydrophobicContact CG2-CB 4.26Å; T935-N938 PolarHBondContact OG1-O 3.06Å; T935-Q943 HydrophobicContact CG2-CB 3.74Å; T935-Q943 HydrophobicContact CG2-CG 3.94Å; T935-K1002 WeakPolarHBondContact O-CD 3.33Å; T935-K1002 PolarHBondContact OG1-NZ 2.79Å; T935-K1002 VanDerWaalsContact OG1-NZ 3.08Å
936	R	96.8	Very high	96.5	Very high	16 Å²	16	39.1 Å²	39.1	6%	0.06	18%	0.183	C	C	.	.	S	Bend	trans	-83.4	-32.7	177.1	-73.5	165	56.4	-146.1	1	112.6	D766 K770 E824 Y1018 Y1019	D766-R936 VanDerWaalsContact CG-NH1 3.26Å; D766-R936 IonicContact OD1-CZ 3.1Å; D766-R936 IonicContact OD1-NH1 2.78Å; D766-R936 PolarHBondContact OD1-NH1 3.24Å; K770-R936 HydrophobicContact CG-CG 4.11Å; E824-R936 PolarHBondContact OE1-N 3.02Å; E824-R936 PolarHBondContact OE2-N 3.41Å; E824-R936 VanDerWaalsContact OE2-N 3.12Å; R936-Y1018 HydrophobicContact CB-CE2 3.95Å; R936-Y1019 HydrophobicContact CG-CD2 4.3Å; R936-Y1019 HydrophobicContact CG-CE2 3.7Å; R936-Y1019 PolarHBondContact NE-O 3.22Å; R936-Y1019 PolarHBondContact NH2-O 2.54Å; R936-Y1019 PolarHBondContact NH2-OXT 3.44Å
937	R	95.8	Very high	96.4	Very high	63 Å²	63	40 Å²	40	24%	0.238	19%	0.187	C	C	.	.	S	Bend	trans	-125.4	-42.4	-177	-173.8	177.2	-178.9	90.8	6.1	113.2	E824 L1005 R1006 E1014 Y1018	E824-R937 PolarHBondContact OE2-N 2.79Å; R937-L1005 PolarHBondContact NH2-O 3.22Å; R937-R1006 HydrophobicContact CG-CG 4.29Å; R937-R1006 PolarHBondContact O-NH1 2.92Å; R937-E1014 IonicContact NH1-OE1 3.33Å; R937-E1014 PolarHBondContact NH1-OE1 2.92Å; R937-E1014 IonicContact NH1-OE2 3.73Å; R937-Y1018 HydrophobicContact CB-CE2 3.91Å
938	N	96.7	Very high	96.3	Very high	30 Å²	30	47.4 Å²	47.4	16%	0.16	22%	0.215	C	C	.	.	S	Bend	trans	-70.9	158.7	-175.4	-75.7	-3.9	0	0	0	112.1	E824 T935 Q943 K1002	E824-N938 HydrophobicContact CG-CB 4.44Å; E824-N938 PolarHBondContact O-ND2 2.87Å; E824-N938 PolarHBondContact OE2-N 2.83Å; T935-N938 WeakPolarHBondContact CB-O 3.49Å; T935-N938 HydrophobicContact CG2-CB 4.26Å; T935-N938 PolarHBondContact OG1-O 3.06Å; N938-Q943 PolarHBondContact ND2-OE1 3.01Å; N938-K1002 WeakPolarHBondContact O-CD 3.38Å
939	S	97	Very high	96.2	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.063	23%	0.23	C	C	.	.			trans	-73.5	149.5	169.1	-175.8	0	0	0	0	110	F941 Q942 Q943 E999	S939-F941 PolarHBondContact O-N 2.93Å; S939-F941 WeakPolarHBondContact OG-CD2 3.5Å; S939-F941 PolarHBondContact OG-N 3.34Å; S939-Q942 PolarHBondContact O-N 3.29Å; S939-Q943 PolarHBondContact O-N 3.25Å; S939-E999 VanDerWaalsContact CA-OE1 3.23Å; S939-E999 WeakPolarHBondContact CA-OE1 3.1Å; S939-E999 WeakPolarHBondContact CB-OE1 3.33Å; S939-E999 VanDerWaalsContact OG-CD 3.31Å; S939-E999 PolarHBondContact OG-OE1 3.38Å
940	L	95.5	Very high	96.2	Very high	19 Å²	19	50.4 Å²	50.4	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-54.9	-37.4	166.4	-175.6	68.8	0	0	0	111.4	I931 K934 Q942 Q943 G944 M945 F995 E999	I931-L940 HydrophobicContact CG2-CD1 3.94Å; I931-L940 HydrophobicContact CG2-CD2 3.62Å; I931-L940 HydrophobicContact CG2-CG 4.35Å; K934-L940 HydrophobicContact CD-CD1 4.09Å; L940-Q942 VanDerWaalsContact C-N 3.28Å; L940-Q942 PolarHBondContact O-N 3.42Å; L940-Q943 PolarHBondContact O-N 3.04Å; L940-G944 VanDerWaalsContact O-CA 3.3Å; L940-G944 WeakPolarHBondContact O-CA 3.41Å; L940-G944 PolarHBondContact O-N 2.9Å; L940-M945 HydrophobicContact CD1-CG 3.98Å; L940-M945 HydrophobicContact CD1-SD 3.78Å; L940-M945 HydrophobicContact CD2-CG 4.44Å; L940-F995 HydrophobicContact CB-CE2 4.48Å; L940-F995 HydrophobicContact CD2-CE2 3.7Å; L940-F995 HydrophobicContact CD2-CZ 4.06Å; L940-E999 PolarHBondContact N-OE2 3.45Å
941	F	94.6	Very high	96.1	Very high	165 Å²	165	53.2 Å²	53.2	72%	0.724	25%	0.245	S	C	*	.	H	α-helix	trans	-72.5	-20.8	-179.1	-57.6	-71.2	0	0	0	113.4	S939 F995	S939-F941 PolarHBondContact O-N 2.93Å; S939-F941 WeakPolarHBondContact OG-CD2 3.5Å; S939-F941 PolarHBondContact OG-N 3.34Å; F941-F995 HydrophobicContact CZ-CZ 4.44Å
942	Q	93.1	Very high	96.1	Very high	122 Å²	122	57.5 Å²	57.5	57%	0.57	26%	0.262	S	S	*	.	H	α-helix	trans	-83.3	-45.9	174.1	-71.3	170.7	-25.7	0	0	111.1	S939 L940	S939-Q942 PolarHBondContact O-N 3.29Å; L940-Q942 VanDerWaalsContact C-N 3.28Å; L940-Q942 PolarHBondContact O-N 3.42Å
943	Q	94.5	Very high	96	Very high	26 Å²	26	57.3 Å²	57.3	12%	0.121	26%	0.261	C	S	.	.	H	α-helix	trans	-76.5	-40.2	-178.1	-161.9	71.2	11	0	0	112.3	S822 A823 T935 N938 S939 L940	S822-Q943 PolarHBondContact OG-NE2 3.46Å; A823-Q943 PolarHBondContact O-NE2 3.3Å; T935-Q943 HydrophobicContact CG2-CB 3.74Å; T935-Q943 HydrophobicContact CG2-CG 3.94Å; N938-Q943 PolarHBondContact ND2-OE1 3.01Å; S939-Q943 PolarHBondContact O-N 3.25Å; L940-Q943 PolarHBondContact O-N 3.04Å
944	G	94.6	Very high	96	Very high	21 Å²	21	58.5 Å²	58.5	22%	0.216	27%	0.267	C	S	.	.			trans	76.1	158.2	-175.7	0	0	0	0	0	114.5	K934 L940 K946	K934-G944 WeakPolarHBondContact CE-O 3.41Å; L940-G944 VanDerWaalsContact O-CA 3.3Å; L940-G944 WeakPolarHBondContact O-CA 3.41Å; L940-G944 PolarHBondContact O-N 2.9Å; G944-K946 VanDerWaalsContact C-N 3.28Å; G944-K946 PolarHBondContact O-N 3.08Å
945	M	95.4	Very high	96	Very high	70 Å²	70	65 Å²	65	35%	0.345	30%	0.296	S	S	.	.	S	Bend	trans	-84.3	63.7	175.2	-73.9	-66.6	-82.9	0	0	111.6	I931 K934 L940 L950 I951 L954	I931-M945 HydrophobicContact CD1-CE 4.36Å; I931-M945 HydrophobicContact CG1-CE 4.06Å; K934-M945 HydrophobicContact CD-SD 3.91Å; L940-M945 HydrophobicContact CD1-CG 3.98Å; L940-M945 HydrophobicContact CD1-SD 3.78Å; L940-M945 HydrophobicContact CD2-CG 4.44Å; M945-L950 HydrophobicContact CE-CD2 3.8Å; M945-I951 HydrophobicContact CE-CG1 4.24Å; M945-L954 HydrophobicContact CE-CD1 4.4Å
946	K	94.4	Very high	95.9	Very high	171 Å²	171	67.3 Å²	67.3	74%	0.743	31%	0.31	S	S	*	.			trans	-92.9	-17	-178.4	-62.5	178.9	-175.2	171.4	0	114.1	G944 R948	G944-K946 VanDerWaalsContact C-N 3.28Å; G944-K946 PolarHBondContact O-N 3.08Å; K946-R948 PolarHBondContact O-N 3.16Å; K946-R948 VanDerWaalsContact O-N 3.07Å
947	N	96.3	Very high	95.9	Very high	18 Å²	18	66.6 Å²	66.6	10%	0.096	31%	0.307	C	S	.	.			trans	-73	100.9	-179.3	-176.8	-11	0	0	0	109.9	S817 E821 I949 L950 I951	S817-N947 PolarHBondContact O-ND2 3.39Å; E821-N947 WeakPolarHBondContact OE1-CB 3.24Å; E821-N947 PolarHBondContact OE1-ND2 2.78Å; N947-I949 VanDerWaalsContact C-N 3.29Å; N947-I949 PolarHBondContact O-N 2.93Å; N947-I949 PolarHBondContact OD1-N 3.43Å; N947-I949 VanDerWaalsContact OD1-N 3.08Å; N947-L950 HydrophobicContact CB-CB 3.97Å; N947-L950 PolarHBondContact O-N 3.37Å; N947-L950 PolarHBondContact OD1-N 3.07Å; N947-L950 VanDerWaalsContact OD1-N 3.15Å; N947-I951 WeakPolarHBondContact O-CG1 3.41Å; N947-I951 PolarHBondContact O-N 3.35Å
948	R	96.2	Very high	96	Very high	214 Å²	214	65.6 Å²	65.6	81%	0.808	31%	0.308	S	S	*	.	H	α-helix	trans	-66.8	-30.7	-178.4	-63.6	-175.2	-179	-176.4	-0	112.8	K946 F952	K946-R948 PolarHBondContact O-N 3.16Å; K946-R948 VanDerWaalsContact O-N 3.07Å; R948-F952 VanDerWaalsContact O-CB 3.31Å; R948-F952 WeakPolarHBondContact O-CB 3.42Å; R948-F952 PolarHBondContact O-N 2.87Å
949	I	96.6	Very high	96	Very high	66 Å²	66	67.8 Å²	67.8	34%	0.338	33%	0.326	S	S	.	.	H	α-helix	trans	-70.6	-37.3	179.2	-52.6	-57.7	0	0	0	109.9	Y820 N947 F952 G953	Y820-I949 HydrophobicContact CD1-CG1 4.26Å; Y820-I949 HydrophobicContact CD2-CB 4.12Å; Y820-I949 HydrophobicContact CD2-CG1 4.05Å; Y820-I949 HydrophobicContact CD2-CG2 4.03Å; Y820-I949 HydrophobicContact CE1-CG1 4.38Å; Y820-I949 HydrophobicContact CE2-CB 4.46Å; Y820-I949 HydrophobicContact CE2-CG1 4.16Å; Y820-I949 HydrophobicContact CE2-CG2 4.07Å; Y820-I949 HydrophobicContact CG-CB 4.41Å; Y820-I949 HydrophobicContact CG-CG1 4.08Å; N947-I949 VanDerWaalsContact C-N 3.29Å; N947-I949 PolarHBondContact O-N 2.93Å; N947-I949 PolarHBondContact OD1-N 3.43Å; N947-I949 VanDerWaalsContact OD1-N 3.08Å; I949-F952 PolarHBondContact O-N 3.33Å; I949-G953 PolarHBondContact O-N 2.94Å
950	L	97.3	Very high	96	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-67.5	-44.8	176	-174.4	158.1	0	0	0	111.9	S817 L818 V930 K934 M945 N947 F952 G953 L954	S817-L950 VanDerWaalsContact CB-CA 3.5Å; S817-L950 VanDerWaalsContact OG-CA 3.29Å; S817-L950 WeakPolarHBondContact OG-CA 2.97Å; S817-L950 WeakPolarHBondContact OG-CB 3.23Å; L818-L950 HydrophobicContact CD2-CD1 3.92Å; V930-L950 HydrophobicContact CG2-CD1 4.02Å; V930-L950 HydrophobicContact CG2-CG 4.08Å; K934-L950 HydrophobicContact CD-CD1 4.33Å; K934-L950 HydrophobicContact CG-CD1 4.47Å; M945-L950 HydrophobicContact CE-CD2 3.8Å; N947-L950 HydrophobicContact CB-CB 3.97Å; N947-L950 PolarHBondContact O-N 3.37Å; N947-L950 PolarHBondContact OD1-N 3.07Å; N947-L950 VanDerWaalsContact OD1-N 3.15Å; L950-F952 VanDerWaalsContact C-N 3.29Å; L950-F952 PolarHBondContact O-N 2.98Å; L950-G953 WeakPolarHBondContact O-CA 3.17Å; L950-G953 PolarHBondContact O-N 2.84Å; L950-G953 VanDerWaalsContact O-N 3.09Å; L950-L954 HydrophobicContact CD2-CD1 4.01Å; L950-L954 HydrophobicContact CD2-CG 4.45Å; L950-L954 PolarHBondContact O-N 3.2Å
951	I	96.9	Very high	96	Very high	59 Å²	59	69.3 Å²	69.3	30%	0.303	33%	0.333	S	S	.	.	H	α-helix	trans	-59.6	-44.5	174.7	-64.6	167.6	0	0	0	110.3	M945 N947 G953 L954 F955	M945-I951 HydrophobicContact CE-CG1 4.24Å; N947-I951 WeakPolarHBondContact O-CG1 3.41Å; N947-I951 PolarHBondContact O-N 3.35Å; I951-G953 VanDerWaalsContact C-N 3.31Å; I951-G953 PolarHBondContact O-N 3.11Å; I951-L954 PolarHBondContact O-N 3.43Å; I951-F955 HydrophobicContact CG2-CD2 4.04Å; I951-F955 HydrophobicContact CG2-CE2 3.74Å; I951-F955 WeakPolarHBondContact O-CD2 3.27Å; I951-F955 PolarHBondContact O-N 2.76Å
952	F	96.7	Very high	96.1	Very high	124 Å²	124	62.9 Å²	62.9	54%	0.544	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-40.9	174.2	175	-104.2	0	0	0	112	R948 I949 L950 L954 F955 V956	R948-F952 VanDerWaalsContact O-CB 3.31Å; R948-F952 WeakPolarHBondContact O-CB 3.42Å; R948-F952 PolarHBondContact O-N 2.87Å; I949-F952 PolarHBondContact O-N 3.33Å; L950-F952 VanDerWaalsContact C-N 3.29Å; L950-F952 PolarHBondContact O-N 2.98Å; F952-L954 PolarHBondContact O-N 3.07Å; F952-F955 PolarHBondContact O-N 3.28Å; F952-V956 HydrophobicContact CD1-CG2 4.07Å; F952-V956 HydrophobicContact CD2-CG2 4.15Å; F952-V956 HydrophobicContact CE1-CG2 3.59Å; F952-V956 HydrophobicContact CE2-CG2 3.68Å; F952-V956 HydrophobicContact CG-CG2 4.34Å; F952-V956 HydrophobicContact CZ-CG2 3.38Å; F952-V956 WeakPolarHBondContact O-CG2 3.08Å; F952-V956 PolarHBondContact O-N 3.21Å
953	G	96.1	Very high	96.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-54.9	-50.2	174.8	0	0	0	0	0	112.4	I949 L950 I951 F955 V956 E957	I949-G953 PolarHBondContact O-N 2.94Å; L950-G953 WeakPolarHBondContact O-CA 3.17Å; L950-G953 PolarHBondContact O-N 2.84Å; L950-G953 VanDerWaalsContact O-N 3.09Å; I951-G953 VanDerWaalsContact C-N 3.31Å; I951-G953 PolarHBondContact O-N 3.11Å; G953-F955 VanDerWaalsContact C-N 3.32Å; G953-F955 PolarHBondContact O-N 2.76Å; G953-V956 PolarHBondContact O-N 3Å; G953-V956 VanDerWaalsContact O-N 3.16Å; G953-E957 WeakPolarHBondContact O-CB 3.33Å; G953-E957 PolarHBondContact O-N 3.35Å
954	L	96.8	Very high	96.3	Very high	29 Å²	29	62.3 Å²	62.3	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-41.8	176.5	-74.2	169.6	0	0	0	113.1	W927 V930 M945 L950 I951 F952 T958	W927-L954 HydrophobicContact CB-CD2 4.06Å; W927-L954 HydrophobicContact CG-CD2 4.08Å; V930-L954 HydrophobicContact CG1-CD2 3.54Å; V930-L954 HydrophobicContact CG1-CG 4.16Å; M945-L954 HydrophobicContact CE-CD1 4.4Å; L950-L954 HydrophobicContact CD2-CD1 4.01Å; L950-L954 HydrophobicContact CD2-CG 4.45Å; L950-L954 PolarHBondContact O-N 3.2Å; I951-L954 PolarHBondContact O-N 3.43Å; F952-L954 PolarHBondContact O-N 3.07Å; L954-T958 WeakPolarHBondContact O-CB 3.49Å; L954-T958 PolarHBondContact O-N 3.29Å; L954-T958 VanDerWaalsContact O-N 3.08Å; L954-T958 PolarHBondContact O-OG1 3.11Å
955	F	97	Very high	96.4	Very high	142 Å²	142	61.4 Å²	61.4	62%	0.623	30%	0.297	S	S	*	.	H	α-helix	trans	-67.8	-43.2	176.7	-79	-69.5	0	0	0	112.2	I951 F952 G953 S959	I951-F955 HydrophobicContact CG2-CD2 4.04Å; I951-F955 HydrophobicContact CG2-CE2 3.74Å; I951-F955 WeakPolarHBondContact O-CD2 3.27Å; I951-F955 PolarHBondContact O-N 2.76Å; F952-F955 PolarHBondContact O-N 3.28Å; G953-F955 VanDerWaalsContact C-N 3.32Å; G953-F955 PolarHBondContact O-N 2.76Å; F955-S959 VanDerWaalsContact O-CB 3.23Å; F955-S959 WeakPolarHBondContact O-CB 3.37Å; F955-S959 PolarHBondContact O-N 3.26Å; F955-S959 PolarHBondContact O-OG 3.39Å
956	V	96.4	Very high	96.4	Very high	47 Å²	47	62.7 Å²	62.7	29%	0.285	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-45.4	179	170.6	0	0	0	0	110.8	V813 F952 G953 S959 L960	V813-V956 HydrophobicContact CG2-CG1 4.27Å; F952-V956 HydrophobicContact CD1-CG2 4.07Å; F952-V956 HydrophobicContact CD2-CG2 4.15Å; F952-V956 HydrophobicContact CE1-CG2 3.59Å; F952-V956 HydrophobicContact CE2-CG2 3.68Å; F952-V956 HydrophobicContact CG-CG2 4.34Å; F952-V956 HydrophobicContact CZ-CG2 3.38Å; F952-V956 WeakPolarHBondContact O-CG2 3.08Å; F952-V956 PolarHBondContact O-N 3.21Å; G953-V956 PolarHBondContact O-N 3Å; G953-V956 VanDerWaalsContact O-N 3.16Å; V956-S959 PolarHBondContact O-N 2.87Å; V956-L960 VanDerWaalsContact O-CB 3.25Å; V956-L960 WeakPolarHBondContact O-CB 3.47Å; V956-L960 PolarHBondContact O-N 3.37Å
957	E	97	Very high	96.5	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-55.2	-53	176.4	-176.3	-167.7	-173.9	0	0	110.9	P814 V923 Q926 G953 S959 L960 A961	P814-E957 HydrophobicContact CG-CB 4.05Å; P814-E957 HydrophobicContact CG-CG 4.15Å; V923-E957 HydrophobicContact CG1-CG 3.97Å; Q926-E957 WeakPolarHBondContact CB-OE1 3.43Å; G953-E957 WeakPolarHBondContact O-CB 3.33Å; G953-E957 PolarHBondContact O-N 3.35Å; E957-S959 PolarHBondContact O-N 3.49Å; E957-L960 PolarHBondContact O-N 3.25Å; E957-A961 WeakPolarHBondContact O-CB 3.45Å; E957-A961 PolarHBondContact O-N 3.11Å
958	T	96.4	Very high	96.4	Very high	41 Å²	41	61.3 Å²	61.3	25%	0.252	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-41.8	179.6	-54.9	0	0	0	0	112.1	W927 L954 A961 A962	W927-T958 HydrophobicContact CH2-CG2 4.46Å; W927-T958 HydrophobicContact CZ2-CG2 3.71Å; W927-T958 VanDerWaalsContact CZ2-OG1 3.27Å; W927-T958 WeakPolarHBondContact CZ2-OG1 3.32Å; W927-T958 PolarHBondContact NE1-OG1 3.27Å; W927-T958 VanDerWaalsContact NE1-OG1 3.07Å; L954-T958 WeakPolarHBondContact O-CB 3.49Å; L954-T958 PolarHBondContact O-N 3.29Å; L954-T958 VanDerWaalsContact O-N 3.08Å; L954-T958 PolarHBondContact O-OG1 3.11Å; T958-A961 PolarHBondContact O-N 3.28Å; T958-A962 WeakPolarHBondContact O-CB 3.2Å; T958-A962 PolarHBondContact O-N 3.25Å
959	S	96.9	Very high	96.2	Very high	77 Å²	77	53 Å²	53	54%	0.538	29%	0.29	S	S	.	.	H	α-helix	trans	-67.6	-37.7	179.7	-58.5	0	0	0	0	111.5	F955 V956 E957 F963	F955-S959 VanDerWaalsContact O-CB 3.23Å; F955-S959 WeakPolarHBondContact O-CB 3.37Å; F955-S959 PolarHBondContact O-N 3.26Å; F955-S959 PolarHBondContact O-OG 3.39Å; V956-S959 PolarHBondContact O-N 2.87Å; E957-S959 PolarHBondContact O-N 3.49Å; S959-F963 VanDerWaalsContact O-CB 3.28Å; S959-F963 WeakPolarHBondContact O-CB 3.3Å; S959-F963 PolarHBondContact O-N 2.95Å
960	L	96.8	Very high	96	Very high	59 Å²	59	51.2 Å²	51.2	31%	0.309	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-46.9	175.3	-179	61.7	0	0	0	110.4	T810 V956 E957 A962 F963 L964	T810-L960 HydrophobicContact CG2-CD2 4.29Å; V956-L960 VanDerWaalsContact O-CB 3.25Å; V956-L960 WeakPolarHBondContact O-CB 3.47Å; V956-L960 PolarHBondContact O-N 3.37Å; E957-L960 PolarHBondContact O-N 3.25Å; L960-A962 VanDerWaalsContact C-N 3.32Å; L960-A962 PolarHBondContact O-N 3.38Å; L960-F963 WeakPolarHBondContact O-CB 3.46Å; L960-F963 PolarHBondContact O-N 2.61Å; L960-F963 VanDerWaalsContact O-N 3.14Å; L960-L964 HydrophobicContact CD1-CD1 4.34Å; L960-L964 HydrophobicContact CD1-CD2 4.48Å; L960-L964 HydrophobicContact CD1-CG 4.16Å; L960-L964 HydrophobicContact CG-CD1 4.14Å; L960-L964 HydrophobicContact CG-CG 4.37Å; L960-L964 VanDerWaalsContact O-CG 3.29Å; L960-L964 WeakPolarHBondContact O-CG 3.35Å; L960-L964 PolarHBondContact O-N 3.03Å
961	A	96.5	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.4	-42.9	176.6	0	0	0	0	0	112.3	T810 F919 V923 E957 T958 L964 S965 W984	T810-A961 HydrophobicContact CG2-CB 4.42Å; F919-A961 HydrophobicContact CE1-CB 3.78Å; F919-A961 HydrophobicContact CZ-CB 4.07Å; V923-A961 HydrophobicContact CB-CB 4.47Å; V923-A961 HydrophobicContact CG1-CB 4.17Å; V923-A961 HydrophobicContact CG2-CB 4.01Å; E957-A961 WeakPolarHBondContact O-CB 3.45Å; E957-A961 PolarHBondContact O-N 3.11Å; T958-A961 PolarHBondContact O-N 3.28Å; A961-L964 PolarHBondContact O-N 3.47Å; A961-S965 PolarHBondContact O-N 3.33Å; A961-S965 VanDerWaalsContact O-N 3.1Å; A961-W984 HydrophobicContact CB-CH2 3.98Å
962	A	96.2	Very high	95.3	Very high	30 Å²	30	56.9 Å²	56.9	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-42.3	174.1	0	0	0	0	0	112	T958 L960 S965 Y966 W984	T958-A962 WeakPolarHBondContact O-CB 3.2Å; T958-A962 PolarHBondContact O-N 3.25Å; L960-A962 VanDerWaalsContact C-N 3.32Å; L960-A962 PolarHBondContact O-N 3.38Å; A962-S965 PolarHBondContact O-N 2.74Å; A962-Y966 HydrophobicContact CB-CD2 4.25Å; A962-Y966 HydrophobicContact CB-CE2 4.5Å; A962-Y966 WeakPolarHBondContact O-CB 3.36Å; A962-Y966 WeakPolarHBondContact O-CD2 3.49Å; A962-Y966 PolarHBondContact O-N 2.93Å; A962-W984 HydrophobicContact CB-CH2 4.31Å; A962-W984 HydrophobicContact CB-CZ2 4.3Å
963	F	96.9	Very high	94.7	Very high	118 Å²	118	54.4 Å²	54.4	52%	0.518	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-46.6	176.1	176.7	-96.2	0	0	0	111.5	S959 L960 S965 Y966 C967	S959-F963 VanDerWaalsContact O-CB 3.28Å; S959-F963 WeakPolarHBondContact O-CB 3.3Å; S959-F963 PolarHBondContact O-N 2.95Å; L960-F963 WeakPolarHBondContact O-CB 3.46Å; L960-F963 PolarHBondContact O-N 2.61Å; L960-F963 VanDerWaalsContact O-N 3.14Å; F963-S965 VanDerWaalsContact C-N 3.31Å; F963-S965 PolarHBondContact O-N 2.73Å; F963-Y966 PolarHBondContact O-N 2.99Å; F963-C967 HydrophobicContact CD2-CB 4.06Å; F963-C967 HydrophobicContact CE1-CB 4.32Å; F963-C967 HydrophobicContact CE2-CB 3.86Å; F963-C967 HydrophobicContact CG-CB 4.39Å; F963-C967 HydrophobicContact CZ-CB 4Å; F963-C967 WeakPolarHBondContact O-CB 3.41Å; F963-C967 PolarHBondContact O-N 3.15Å
964	L	95.6	Very high	94.3	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.099	33%	0.33	C	S	.	.	H	α-helix	trans	-65.3	-32.7	-179.5	-65.5	176.1	0	0	0	112.7	C805 F919 L960 A961 M970 L974 M976	C805-L964 HydrophobicContact CB-CD1 4.34Å; F919-L964 HydrophobicContact CZ-CD1 4.08Å; L960-L964 HydrophobicContact CD1-CD1 4.34Å; L960-L964 HydrophobicContact CD1-CD2 4.48Å; L960-L964 HydrophobicContact CD1-CG 4.16Å; L960-L964 HydrophobicContact CG-CD1 4.14Å; L960-L964 HydrophobicContact CG-CG 4.37Å; L960-L964 VanDerWaalsContact O-CG 3.29Å; L960-L964 WeakPolarHBondContact O-CG 3.35Å; L960-L964 PolarHBondContact O-N 3.03Å; A961-L964 PolarHBondContact O-N 3.47Å; L964-M970 HydrophobicContact CD2-CE 3.54Å; L964-M970 VanDerWaalsContact O-CB 3.27Å; L964-M970 WeakPolarHBondContact O-CB 3.38Å; L964-L974 HydrophobicContact CD2-CD1 4.01Å; L964-M976 HydrophobicContact CB-SD 3.55Å; L964-M976 VanDerWaalsContact CB-SD 3.55Å; L964-M976 HydrophobicContact CD1-SD 4.39Å; L964-M976 WeakPolarHBondContact O-CB 3.16Å
965	S	95.6	Very high	94.1	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.014	34%	0.339	C	S	.	.	H	α-helix	trans	-79.6	-37.7	176.9	179.6	0	0	0	0	113.8	A961 A962 F963 Y977 P978 M979	A961-S965 PolarHBondContact O-N 3.33Å; A961-S965 VanDerWaalsContact O-N 3.1Å; A962-S965 PolarHBondContact O-N 2.74Å; F963-S965 VanDerWaalsContact C-N 3.31Å; F963-S965 PolarHBondContact O-N 2.73Å; S965-Y977 CarbonylContact O-C 3.59Å; S965-Y977 PolarHBondContact OG-O 3.14Å; S965-Y977 VanDerWaalsContact OG-O 3.12Å; S965-P978 VanDerWaalsContact O-CA 3.29Å; S965-P978 WeakPolarHBondContact O-CA 3.49Å; S965-M979 WeakPolarHBondContact OG-CE 3.47Å
966	Y	96.3	Very high	93.9	Very high	97 Å²	97	53.1 Å²	53.1	38%	0.38	31%	0.31	S	S	.	.	H	α-helix	trans	-106.9	-9.2	-169.6	-61.6	-64.2	0	0	0	114.9	A962 F963 P978 M979 W984	A962-Y966 HydrophobicContact CB-CD2 4.25Å; A962-Y966 HydrophobicContact CB-CE2 4.5Å; A962-Y966 WeakPolarHBondContact O-CB 3.36Å; A962-Y966 WeakPolarHBondContact O-CD2 3.49Å; A962-Y966 PolarHBondContact O-N 2.93Å; F963-Y966 PolarHBondContact O-N 2.99Å; Y966-P978 HydrophobicContact CD1-CB 3.96Å; Y966-P978 HydrophobicContact CE1-CB 4.34Å; Y966-M979 WeakPolarHBondContact CE1-O 3.49Å; Y966-M979 PolarHBondContact OH-O 3.17Å; Y966-W984 HydrophobicContact CE2-CZ2 4.2Å; Y966-W984 AromaticContact CE2-NE1 3.88Å; Y966-W984 AromaticContact CZ-NE1 3.76Å; Y966-W984 PolarHBondContact OH-NE1 3.45Å
967	C	96.2	Very high	93.9	Very high	36 Å²	36	53 Å²	53	24%	0.243	31%	0.305	C	S	.	.	S	Bend	trans	-72.1	127.8	179.4	-174.5	0	0	0	0	110.7	F963 G969 M970	F963-C967 HydrophobicContact CD2-CB 4.06Å; F963-C967 HydrophobicContact CE1-CB 4.32Å; F963-C967 HydrophobicContact CE2-CB 3.86Å; F963-C967 HydrophobicContact CG-CB 4.39Å; F963-C967 HydrophobicContact CZ-CB 4Å; F963-C967 WeakPolarHBondContact O-CB 3.41Å; F963-C967 PolarHBondContact O-N 3.15Å; C967-G969 PolarHBondContact O-N 3.26Å; C967-M970 HydrophobicContact CB-CG 3.67Å; C967-M970 WeakPolarHBondContact O-CB 3.21Å; C967-M970 VanDerWaalsContact O-CG 3.27Å; C967-M970 WeakPolarHBondContact O-CG 3.49Å; C967-M970 PolarHBondContact O-N 3.05Å
968	P	94.8	Very high	93.8	Very high	124 Å²	124	56.9 Å²	56.9	81%	0.805	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	129.9	177.7	-24	33.9	0	0	0	112.2
969	G	91.8	Very high	93.6	Very high	40 Å²	40	55.4 Å²	55.4	41%	0.412	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.6	-9	179.8	0	0	0	0	0	114.6	C967 D971 V972 A973	C967-G969 PolarHBondContact O-N 3.26Å; G969-D971 VanDerWaalsContact C-N 3.28Å; G969-D971 VanDerWaalsContact C-OD1 3.3Å; G969-D971 VanDerWaalsContact CA-OD1 3.25Å; G969-D971 WeakPolarHBondContact CA-OD1 3.31Å; G969-D971 PolarHBondContact N-OD1 3.22Å; G969-D971 VanDerWaalsContact N-OD1 3.16Å; G969-V972 PolarHBondContact O-N 2.86Å; G969-A973 WeakPolarHBondContact O-CB 3.44Å; G969-A973 PolarHBondContact O-N 3.09Å
970	M	92.2	Very high	93.4	Very high	28 Å²	28	56.5 Å²	56.5	14%	0.138	32%	0.316	C	S	.	.	H	α-helix	trans	-71.6	-24.3	175	-62.4	-54.7	-58.5	0	0	113	L964 C967 V972 L974 R975 M976	L964-M970 HydrophobicContact CD2-CE 3.54Å; L964-M970 VanDerWaalsContact O-CB 3.27Å; L964-M970 WeakPolarHBondContact O-CB 3.38Å; C967-M970 HydrophobicContact CB-CG 3.67Å; C967-M970 WeakPolarHBondContact O-CB 3.21Å; C967-M970 VanDerWaalsContact O-CG 3.27Å; C967-M970 WeakPolarHBondContact O-CG 3.49Å; C967-M970 PolarHBondContact O-N 3.05Å; M970-V972 PolarHBondContact O-N 3.32Å; M970-L974 HydrophobicContact CE-CB 4.1Å; M970-L974 HydrophobicContact CE-CD1 3.16Å; M970-L974 HydrophobicContact CE-CG 3.54Å; M970-L974 CarbonylContact O-C 3.6Å; M970-L974 PolarHBondContact O-N 3.36Å; M970-R975 PolarHBondContact O-N 3.27Å; M970-M976 CarbonylContact C-O 3.6Å; M970-M976 HydrophobicContact CB-CB 4.44Å; M970-M976 PolarHBondContact O-N 3.11Å; M970-M976 VanDerWaalsContact O-N 3.09Å
971	D	90.8	Very high	93.2	Very high	59 Å²	59	59.7 Å²	59.7	32%	0.316	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-27.7	171.9	57.5	-51.1	0	0	0	112.4	G969 R975 M976 Y977	G969-D971 VanDerWaalsContact C-N 3.28Å; G969-D971 VanDerWaalsContact C-OD1 3.3Å; G969-D971 VanDerWaalsContact CA-OD1 3.25Å; G969-D971 WeakPolarHBondContact CA-OD1 3.31Å; G969-D971 PolarHBondContact N-OD1 3.22Å; G969-D971 VanDerWaalsContact N-OD1 3.16Å; D971-R975 VanDerWaalsContact O-CA 3.3Å; D971-R975 WeakPolarHBondContact O-CA 3.28Å; D971-M976 VanDerWaalsContact CA-O 3.22Å; D971-M976 WeakPolarHBondContact CA-O 3.44Å; D971-M976 PolarHBondContact N-O 3.11Å; D971-M976 VanDerWaalsContact N-O 3.12Å; D971-Y977 HydrophobicContact CB-CD1 4.22Å; D971-Y977 HydrophobicContact CB-CD2 4.43Å; D971-Y977 HydrophobicContact CB-CE1 4.06Å; D971-Y977 HydrophobicContact CB-CE2 4.28Å; D971-Y977 HydrophobicContact CB-CG 4.41Å
972	V	87.4	Confident	93	Very high	120 Å²	120	65.7 Å²	65.7	73%	0.727	36%	0.363	S	S	*	.	H	α-helix	trans	-93.3	-45.6	174.5	-177.9	0	0	0	0	111.2	G969 M970	G969-V972 PolarHBondContact O-N 2.86Å; M970-V972 PolarHBondContact O-N 3.32Å
973	A	85.6	Confident	93	Very high	73 Å²	73	64.9 Å²	64.9	60%	0.603	35%	0.353	S	S	*	.	H	α-helix	trans	-72.5	-45	-172.7	0	0	0	0	0	113.3	G969	G969-A973 WeakPolarHBondContact O-CB 3.44Å; G969-A973 PolarHBondContact O-N 3.09Å
974	L	88.1	Confident	92.9	Very high	50 Å²	50	61 Å²	61	26%	0.262	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	1.5	-176.5	-61.1	-173.3	0	0	0	113.2	V801 L964 M970 M976	V801-L974 HydrophobicContact CG1-CB 4.15Å; V801-L974 HydrophobicContact CG1-CD2 3.82Å; L964-L974 HydrophobicContact CD2-CD1 4.01Å; M970-L974 HydrophobicContact CE-CB 4.1Å; M970-L974 HydrophobicContact CE-CD1 3.16Å; M970-L974 HydrophobicContact CE-CG 3.54Å; M970-L974 CarbonylContact O-C 3.6Å; M970-L974 PolarHBondContact O-N 3.36Å; L974-M976 HydrophobicContact CB-CG 4.24Å; L974-M976 PolarHBondContact O-N 3.33Å
975	R	91.6	Very high	92.9	Very high	91 Å²	91	66.2 Å²	66.2	34%	0.343	36%	0.358	S	S	.	.			trans	56.5	36.5	-171.6	-57.2	-176.3	176.7	157.7	8.1	112.8	D123 F912 M970 D971	D123-R975 IonicContact OD1-CZ 3.96Å; D123-R975 IonicContact OD1-NH1 2.7Å; D123-R975 IonicContact OD1-NH2 2.89Å; D123-R975 PolarHBondContact OD1-NH2 3.03Å; D123-R975 IonicContact OD2-CZ 3.21Å; D123-R975 IonicContact OD2-NH1 3.68Å; D123-R975 PolarHBondContact OD2-NH1 3.28Å; D123-R975 IonicContact OD2-NH2 3.05Å; D123-R975 PolarHBondContact OD2-NH2 3.24Å; F912-R975 HydrophobicContact CB-CB 4.46Å; F912-R975 HydrophobicContact CD1-CB 4.04Å; F912-R975 HydrophobicContact CD2-CB 4.38Å; F912-R975 HydrophobicContact CE1-CB 4.44Å; F912-R975 HydrophobicContact CG-CB 4.04Å; F912-R975 VanDerWaalsContact CZ-CD 3.49Å; M970-R975 PolarHBondContact O-N 3.27Å; D971-R975 VanDerWaalsContact O-CA 3.3Å; D971-R975 WeakPolarHBondContact O-CA 3.28Å
976	M	93.8	Very high	92.9	Very high	2 Å²	2	67 Å²	67	1%	0.01	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-99.7	119.5	175.3	-75.9	-166.4	155.9	0	0	111	T802 C805 T916 F919 L964 M970 D971 L974	T802-M976 HydrophobicContact CG2-CE 3.7Å; C805-M976 HydrophobicContact CB-CE 4.21Å; T916-M976 HydrophobicContact CG2-CB 4.19Å; T916-M976 HydrophobicContact CG2-CG 4.33Å; T916-M976 WeakPolarHBondContact OG1-CA 3.34Å; F919-M976 HydrophobicContact CB-CE 4.2Å; F919-M976 HydrophobicContact CD1-CE 3.51Å; F919-M976 HydrophobicContact CD2-CE 3.85Å; F919-M976 HydrophobicContact CE1-CE 3.75Å; F919-M976 HydrophobicContact CE2-CE 4.09Å; F919-M976 HydrophobicContact CG-CE 3.56Å; F919-M976 HydrophobicContact CZ-CE 4.04Å; L964-M976 HydrophobicContact CB-SD 3.55Å; L964-M976 VanDerWaalsContact CB-SD 3.55Å; L964-M976 HydrophobicContact CD1-SD 4.39Å; L964-M976 WeakPolarHBondContact O-CB 3.16Å; M970-M976 CarbonylContact C-O 3.6Å; M970-M976 HydrophobicContact CB-CB 4.44Å; M970-M976 PolarHBondContact O-N 3.11Å; M970-M976 VanDerWaalsContact O-N 3.09Å; D971-M976 VanDerWaalsContact CA-O 3.22Å; D971-M976 WeakPolarHBondContact CA-O 3.44Å; D971-M976 PolarHBondContact N-O 3.11Å; D971-M976 VanDerWaalsContact N-O 3.12Å; L974-M976 HydrophobicContact CB-CG 4.24Å; L974-M976 PolarHBondContact O-N 3.33Å
977	Y	94.9	Very high	92.9	Very high	46 Å²	46	62.3 Å²	62.3	18%	0.18	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-102.4	150.7	-175.1	-77.8	-100	0	0	0	111.8	I909 F912 T913 T916 S965 D971 M979	I909-Y977 HydrophobicContact CB-CE1 4.34Å; I909-Y977 HydrophobicContact CG1-CE1 4Å; I909-Y977 HydrophobicContact CG2-CD1 3.96Å; I909-Y977 HydrophobicContact CG2-CE1 3.8Å; F912-Y977 HydrophobicContact CB-CD2 3.44Å; F912-Y977 VanDerWaalsContact CB-CD2 3.44Å; F912-Y977 HydrophobicContact CB-CE2 3.46Å; F912-Y977 VanDerWaalsContact CB-CE2 3.46Å; F912-Y977 AromaticContact CD2-CE2 3.82Å; F912-Y977 HydrophobicContact CD2-CE2 3.82Å; F912-Y977 HydrophobicContact CG-CD2 4.48Å; F912-Y977 HydrophobicContact CG-CE2 4.05Å; T913-Y977 WeakPolarHBondContact OG1-CB 3.37Å; T916-Y977 WeakPolarHBondContact CG2-O 3.41Å; T916-Y977 PolarHBondContact OG1-N 2.77Å; S965-Y977 CarbonylContact O-C 3.59Å; S965-Y977 PolarHBondContact OG-O 3.14Å; S965-Y977 VanDerWaalsContact OG-O 3.12Å; D971-Y977 HydrophobicContact CB-CD1 4.22Å; D971-Y977 HydrophobicContact CB-CD2 4.43Å; D971-Y977 HydrophobicContact CB-CE1 4.06Å; D971-Y977 HydrophobicContact CB-CE2 4.28Å; D971-Y977 HydrophobicContact CB-CG 4.41Å; Y977-M979 PolarHBondContact O-N 3.35Å
978	P	94.6	Very high	93	Very high	82 Å²	82	65.7 Å²	65.7	53%	0.532	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-66.9	129.6	179	27.5	-34.5	0	0	0	110.9	S965 Y966	S965-P978 VanDerWaalsContact O-CA 3.29Å; S965-P978 WeakPolarHBondContact O-CA 3.49Å; Y966-P978 HydrophobicContact CD1-CB 3.96Å; Y966-P978 HydrophobicContact CE1-CB 4.34Å
979	M	92.5	Very high	93.1	Very high	11 Å²	11	63.5 Å²	63.5	5%	0.054	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-92.5	153.9	-178.4	-65.6	-174.8	-75.8	0	0	112.9	T916 A917 A920 S965 Y966 Y977 W983 W984	T916-M979 HydrophobicContact CG2-CE 4.23Å; T916-M979 HydrophobicContact CG2-CG 4.16Å; T916-M979 HydrophobicContact CG2-SD 4.25Å; A917-M979 WeakPolarHBondContact CA-SD 3.44Å; A917-M979 HydrophobicContact CB-CG 4.4Å; A917-M979 HydrophobicContact CB-SD 3.57Å; A917-M979 VanDerWaalsContact CB-SD 3.57Å; A920-M979 HydrophobicContact CB-CE 3.36Å; A920-M979 HydrophobicContact CB-SD 3.95Å; S965-M979 WeakPolarHBondContact OG-CE 3.47Å; Y966-M979 WeakPolarHBondContact CE1-O 3.49Å; Y966-M979 PolarHBondContact OH-O 3.17Å; Y977-M979 PolarHBondContact O-N 3.35Å; M979-W983 HydrophobicContact CB-CE3 3.86Å; M979-W983 HydrophobicContact CB-CZ3 4.48Å; M979-W983 HydrophobicContact CG-CE3 4.22Å; M979-W984 HydrophobicContact CE-CD2 4.43Å; M979-W984 HydrophobicContact CE-CZ2 3.67Å; M979-W984 VanDerWaalsContact CE-NE1 3.35Å
980	K	93.3	Very high	93.4	Very high	100 Å²	100	64.5 Å²	64.5	44%	0.435	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-67.8	142	164	-60.6	-179.4	-166.9	165.3	0	109.3	E871 L982 W983	E871-K980 IonicContact OE2-NZ 3.49Å; K980-L982 PolarHBondContact O-N 3.45Å; K980-L982 VanDerWaalsContact O-N 3.13Å; K980-W983 HydrophobicContact CB-CD2 3.78Å; K980-W983 HydrophobicContact CB-CE3 4.03Å; K980-W983 HydrophobicContact CB-CG 4.18Å; K980-W983 HydrophobicContact CB-CZ2 4.34Å; K980-W983 HydrophobicContact CB-CZ3 4.36Å; K980-W983 HydrophobicContact CD-CD2 4.45Å; K980-W983 HydrophobicContact CD-CH2 4.04Å; K980-W983 HydrophobicContact CD-CZ2 3.54Å; K980-W983 HydrophobicContact CG-CD2 4.19Å; K980-W983 HydrophobicContact CG-CE3 4.25Å; K980-W983 HydrophobicContact CG-CH2 3.9Å; K980-W983 HydrophobicContact CG-CZ2 3.85Å; K980-W983 HydrophobicContact CG-CZ3 4.08Å; K980-W983 WeakPolarHBondContact O-CB 3.44Å; K980-W983 PolarHBondContact O-N 3.43Å
981	I	92.1	Very high	93.7	Very high	126 Å²	126	63.7 Å²	63.7	65%	0.646	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-55.5	-34.8	179.2	-69.3	156.4	0	0	0	112.1	W983 W984 F985	I981-W983 VanDerWaalsContact C-N 3.26Å; I981-W983 PolarHBondContact O-N 3.31Å; I981-W984 PolarHBondContact O-N 3Å; I981-F985 HydrophobicContact CG2-CE2 4.05Å; I981-F985 WeakPolarHBondContact O-CD2 3.23Å
982	L	93.7	Very high	94.1	Very high	125 Å²	125	65.7 Å²	65.7	65%	0.654	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-62.5	-31.2	178.8	-67.9	172.7	0	0	0	113	K980 W984 F985	K980-L982 PolarHBondContact O-N 3.45Å; K980-L982 VanDerWaalsContact O-N 3.13Å; L982-W984 VanDerWaalsContact C-N 3.27Å; L982-W984 PolarHBondContact O-N 2.93Å; L982-F985 PolarHBondContact O-N 3.4Å; L982-F985 VanDerWaalsContact O-N 3.09Å
983	W	94.8	Very high	94.6	Very high	13 Å²	13	64.3 Å²	64.3	5%	0.049	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-70.1	-23.7	-177.6	-59.3	-23.4	0	0	0	113	I868 E871 T913 M979 K980 I981 F985 C986	I868-W983 HydrophobicContact CD1-CB 4.43Å; I868-W983 HydrophobicContact CD1-CD2 3.84Å; I868-W983 HydrophobicContact CD1-CE3 3.89Å; I868-W983 HydrophobicContact CD1-CG 4.11Å; I868-W983 HydrophobicContact CD1-CZ3 4.43Å; I868-W983 HydrophobicContact CG1-CD2 3.75Å; I868-W983 HydrophobicContact CG1-CE3 4.2Å; I868-W983 HydrophobicContact CG1-CG 3.99Å; I868-W983 HydrophobicContact CG1-CZ2 4.16Å; I868-W983 HydrophobicContact CG2-CH2 4.18Å; I868-W983 HydrophobicContact CG2-CZ2 4.17Å; E871-W983 PolarHBondContact OE2-NE1 3.26Å; T913-W983 HydrophobicContact CG2-CE3 4.24Å; T913-W983 HydrophobicContact CG2-CH2 3.95Å; T913-W983 HydrophobicContact CG2-CZ3 3.36Å; M979-W983 HydrophobicContact CB-CE3 3.86Å; M979-W983 HydrophobicContact CB-CZ3 4.48Å; M979-W983 HydrophobicContact CG-CE3 4.22Å; K980-W983 HydrophobicContact CB-CD2 3.78Å; K980-W983 HydrophobicContact CB-CE3 4.03Å; K980-W983 HydrophobicContact CB-CG 4.18Å; K980-W983 HydrophobicContact CB-CZ2 4.34Å; K980-W983 HydrophobicContact CB-CZ3 4.36Å; K980-W983 HydrophobicContact CD-CD2 4.45Å; K980-W983 HydrophobicContact CD-CH2 4.04Å; K980-W983 HydrophobicContact CD-CZ2 3.54Å; K980-W983 HydrophobicContact CG-CD2 4.19Å; K980-W983 HydrophobicContact CG-CE3 4.25Å; K980-W983 HydrophobicContact CG-CH2 3.9Å; K980-W983 HydrophobicContact CG-CZ2 3.85Å; K980-W983 HydrophobicContact CG-CZ3 4.08Å; K980-W983 WeakPolarHBondContact O-CB 3.44Å; K980-W983 PolarHBondContact O-N 3.43Å; I981-W983 VanDerWaalsContact C-N 3.26Å; I981-W983 PolarHBondContact O-N 3.31Å; W983-F985 PolarHBondContact O-N 3.26Å; W983-C986 WeakPolarHBondContact O-CB 3.43Å; W983-C986 PolarHBondContact O-N 3.38Å
984	W	94.8	Very high	95.2	Very high	37 Å²	37	60.8 Å²	60.8	14%	0.14	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-62.3	-27.9	170.9	-77.9	79.4	0	0	0	112.8	A920 V924 A961 A962 Y966 M979 I981 L982	A920-W984 HydrophobicContact CB-CH2 4.38Å; A920-W984 HydrophobicContact CB-CZ2 4.44Å; A920-W984 HydrophobicContact CB-CZ3 4.43Å; V924-W984 HydrophobicContact CG2-CE3 4.29Å; A961-W984 HydrophobicContact CB-CH2 3.98Å; A962-W984 HydrophobicContact CB-CH2 4.31Å; A962-W984 HydrophobicContact CB-CZ2 4.3Å; Y966-W984 HydrophobicContact CE2-CZ2 4.2Å; Y966-W984 AromaticContact CE2-NE1 3.88Å; Y966-W984 AromaticContact CZ-NE1 3.76Å; Y966-W984 PolarHBondContact OH-NE1 3.45Å; M979-W984 HydrophobicContact CE-CD2 4.43Å; M979-W984 HydrophobicContact CE-CZ2 3.67Å; M979-W984 VanDerWaalsContact CE-NE1 3.35Å; I981-W984 PolarHBondContact O-N 3Å; L982-W984 VanDerWaalsContact C-N 3.27Å; L982-W984 PolarHBondContact O-N 2.93Å
985	F	96.6	Very high	95.6	Very high	129 Å²	129	60.6 Å²	60.6	57%	0.566	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-88.7	-8.5	-177.1	-63.6	-80	0	0	0	113.4	I981 L982 W983 A987 F988	I981-F985 HydrophobicContact CG2-CE2 4.05Å; I981-F985 WeakPolarHBondContact O-CD2 3.23Å; L982-F985 PolarHBondContact O-N 3.4Å; L982-F985 VanDerWaalsContact O-N 3.09Å; W983-F985 PolarHBondContact O-N 3.26Å; F985-A987 VanDerWaalsContact C-N 3.32Å; F985-A987 PolarHBondContact O-N 3.03Å; F985-F988 WeakPolarHBondContact O-CB 3.45Å; F985-F988 PolarHBondContact O-N 3.34Å
986	C	96.2	Very high	96	Very high	17 Å²	17	59.7 Å²	59.7	12%	0.115	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-40	-179.9	-70.6	0	0	0	0	112.5	F863 T864 W983 P989	F863-C986 HydrophobicContact CD1-CB 4.24Å; F863-C986 HydrophobicContact CE1-CB 4.22Å; T864-C986 HydrophobicContact CG2-CB 4.03Å; T864-C986 VanDerWaalsContact OG1-CB 3.23Å; T864-C986 WeakPolarHBondContact OG1-CB 3.49Å; W983-C986 WeakPolarHBondContact O-CB 3.43Å; W983-C986 PolarHBondContact O-N 3.38Å; C986-P989 WeakPolarHBondContact O-CD 3.48Å
987	A	96.3	Very high	96.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-11.1	-178.9	0	0	0	0	0	114.1	A860 V924 V925 F985 Y990 S991	A860-A987 HydrophobicContact CB-CB 4.23Å; V924-A987 HydrophobicContact CB-CB 4.03Å; V924-A987 HydrophobicContact CG1-CB 3.94Å; V925-A987 HydrophobicContact CG1-CB 4.35Å; F985-A987 VanDerWaalsContact C-N 3.32Å; F985-A987 PolarHBondContact O-N 3.03Å; A987-Y990 WeakPolarHBondContact O-CB 3.44Å; A987-Y990 PolarHBondContact O-N 3.08Å; A987-Y990 VanDerWaalsContact O-N 3.13Å; A987-S991 PolarHBondContact O-N 3.13Å; A987-S991 VanDerWaalsContact O-N 3.08Å
988	F	97.3	Very high	96.3	Very high	106 Å²	106	61.7 Å²	61.7	47%	0.465	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-40.5	-174.4	-162.5	-93.5	0	0	0	114.3	V924 F985 Y990 S991 L992	V924-F988 HydrophobicContact CG1-CB 4.5Å; V924-F988 HydrophobicContact CG1-CD2 4.41Å; F985-F988 WeakPolarHBondContact O-CB 3.45Å; F985-F988 PolarHBondContact O-N 3.34Å; F988-Y990 VanDerWaalsContact C-N 3.27Å; F988-Y990 PolarHBondContact O-N 3.48Å; F988-S991 WeakPolarHBondContact O-CB 3.28Å; F988-S991 PolarHBondContact O-N 3.2Å; F988-L992 PolarHBondContact O-N 3.2Å
989	P	97.9	Very high	96.5	Very high	79 Å²	79	58.8 Å²	58.8	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-34.2	175.6	-24	35.6	0	0	0	113.4	C986 L993	C986-P989 WeakPolarHBondContact O-CD 3.48Å; P989-L993 WeakPolarHBondContact O-CB 3.2Å; P989-L993 PolarHBondContact O-N 3.15Å
990	Y	98.2	Very high	96.7	Very high	60 Å²	60	61.9 Å²	61.9	24%	0.235	31%	0.307	C	S	.	.	H	α-helix	trans	-73.6	-38.2	177.7	-67.3	-93.7	0	0	0	111.6	I856 L859 A860 F863 A987 F988 L992 L993 I994	I856-Y990 HydrophobicContact CG2-CD1 4.05Å; L859-Y990 HydrophobicContact CB-CD1 4.35Å; L859-Y990 HydrophobicContact CB-CE1 3.85Å; A860-Y990 VanDerWaalsContact CB-CB 3.49Å; A860-Y990 HydrophobicContact CB-CD1 4.07Å; A860-Y990 HydrophobicContact CB-CD2 3.81Å; A860-Y990 HydrophobicContact CB-CG 3.53Å; F863-Y990 HydrophobicContact CB-CE2 3.95Å; F863-Y990 AromaticContact CD1-CE2 3.93Å; F863-Y990 HydrophobicContact CD1-CE2 3.93Å; F863-Y990 AromaticContact CG-CE2 3.94Å; F863-Y990 HydrophobicContact CG-CE2 3.94Å; A987-Y990 WeakPolarHBondContact O-CB 3.44Å; A987-Y990 PolarHBondContact O-N 3.08Å; A987-Y990 VanDerWaalsContact O-N 3.13Å; F988-Y990 VanDerWaalsContact C-N 3.27Å; F988-Y990 PolarHBondContact O-N 3.48Å; Y990-L992 VanDerWaalsContact C-N 3.34Å; Y990-L992 PolarHBondContact O-N 3.19Å; Y990-L993 WeakPolarHBondContact O-CB 3.27Å; Y990-L993 PolarHBondContact O-N 3.28Å; Y990-L993 VanDerWaalsContact O-N 3.14Å; Y990-I994 WeakPolarHBondContact O-CG1 3.12Å; Y990-I994 PolarHBondContact O-N 3.22Å
991	S	97.9	Very high	96.9	Very high	11 Å²	11	57.6 Å²	57.6	8%	0.077	29%	0.288	C	S	.	.	H	α-helix	trans	-58.2	-45.5	171.5	-170.8	0	0	0	0	111.2	V924 A928 A987 F988 L993 I994 F995	V924-S991 WeakPolarHBondContact O-CB 3.5Å; V924-S991 PolarHBondContact O-OG 3.28Å; A928-S991 WeakPolarHBondContact CB-O 3.35Å; A928-S991 VanDerWaalsContact CB-OG 3.31Å; A928-S991 WeakPolarHBondContact CB-OG 3.47Å; A987-S991 PolarHBondContact O-N 3.13Å; A987-S991 VanDerWaalsContact O-N 3.08Å; F988-S991 WeakPolarHBondContact O-CB 3.28Å; F988-S991 PolarHBondContact O-N 3.2Å; S991-L993 VanDerWaalsContact C-N 3.34Å; S991-L993 PolarHBondContact O-N 2.95Å; S991-I994 PolarHBondContact O-N 3.12Å; S991-F995 PolarHBondContact O-N 2.87Å; S991-F995 VanDerWaalsContact O-N 3.1Å
992	L	97.8	Very high	97.1	Very high	101 Å²	101	51.6 Å²	51.6	53%	0.529	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-39.6	173.6	-177.7	63.8	0	0	0	112.4	F988 Y990 F995 V996	F988-L992 PolarHBondContact O-N 3.2Å; Y990-L992 VanDerWaalsContact C-N 3.34Å; Y990-L992 PolarHBondContact O-N 3.19Å; L992-F995 PolarHBondContact O-N 2.86Å; L992-V996 HydrophobicContact CD1-CG2 4.25Å; L992-V996 HydrophobicContact CG-CG2 4.45Å; L992-V996 WeakPolarHBondContact O-CG2 3.34Å; L992-V996 PolarHBondContact O-N 2.95Å
993	L	98.1	Very high	97.2	Very high	91 Å²	91	50.7 Å²	50.7	48%	0.476	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-45.5	177.1	178.5	62.6	0	0	0	111.7	I856 P989 Y990 S991 F995 V996 Y997	I856-L993 HydrophobicContact CG2-CD2 4.1Å; P989-L993 WeakPolarHBondContact O-CB 3.2Å; P989-L993 PolarHBondContact O-N 3.15Å; Y990-L993 WeakPolarHBondContact O-CB 3.27Å; Y990-L993 PolarHBondContact O-N 3.28Å; Y990-L993 VanDerWaalsContact O-N 3.14Å; S991-L993 VanDerWaalsContact C-N 3.34Å; S991-L993 PolarHBondContact O-N 2.95Å; L993-F995 VanDerWaalsContact C-N 3.33Å; L993-F995 PolarHBondContact O-N 2.95Å; L993-V996 PolarHBondContact O-N 3.46Å; L993-Y997 WeakPolarHBondContact O-CB 3.28Å; L993-Y997 PolarHBondContact O-N 3.31Å
994	I	98.4	Very high	97.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.4	-49.1	175.6	-71.9	167.9	0	0	0	110.2	I853 I856 Q857 V925 A928 I932 Y990 S991 V996 Y997 D998	I853-I994 HydrophobicContact CD1-CG2 4.43Å; I853-I994 HydrophobicContact CG2-CD1 4.13Å; I853-I994 HydrophobicContact CG2-CG1 4.18Å; I853-I994 HydrophobicContact CG2-CG2 3.81Å; I856-I994 HydrophobicContact CB-CD1 4.3Å; I856-I994 HydrophobicContact CB-CG1 3.97Å; I856-I994 HydrophobicContact CD1-CG1 4.29Å; I856-I994 HydrophobicContact CG2-CD1 4.06Å; I856-I994 HydrophobicContact CG2-CG1 3.65Å; Q857-I994 HydrophobicContact CG-CD1 3.73Å; V925-I994 HydrophobicContact CB-CD1 3.86Å; V925-I994 HydrophobicContact CG1-CD1 4.24Å; A928-I994 HydrophobicContact CB-CB 4.11Å; A928-I994 HydrophobicContact CB-CG2 3.94Å; I932-I994 HydrophobicContact CD1-CG2 3.6Å; I932-I994 HydrophobicContact CG1-CG2 4.28Å; Y990-I994 WeakPolarHBondContact O-CG1 3.12Å; Y990-I994 PolarHBondContact O-N 3.22Å; S991-I994 PolarHBondContact O-N 3.12Å; I994-V996 PolarHBondContact O-N 2.84Å; I994-Y997 PolarHBondContact O-N 3.33Å; I994-D998 PolarHBondContact O-N 3.36Å; I994-D998 VanDerWaalsContact O-N 3.08Å
995	F	98.1	Very high	97.3	Very high	46 Å²	46	51.5 Å²	51.5	20%	0.202	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-50.5	179.3	175.5	-103.3	0	0	0	112.5	A928 I931 I932 L940 F941 S991 L992 L993 E999	A928-F995 HydrophobicContact CB-CB 4.27Å; I931-F995 HydrophobicContact CG2-CD2 4.06Å; I931-F995 HydrophobicContact CG2-CE2 3.98Å; I932-F995 HydrophobicContact CG2-CD2 4.22Å; L940-F995 HydrophobicContact CB-CE2 4.48Å; L940-F995 HydrophobicContact CD2-CE2 3.7Å; L940-F995 HydrophobicContact CD2-CZ 4.06Å; F941-F995 HydrophobicContact CZ-CZ 4.44Å; S991-F995 PolarHBondContact O-N 2.87Å; S991-F995 VanDerWaalsContact O-N 3.1Å; L992-F995 PolarHBondContact O-N 2.86Å; L993-F995 VanDerWaalsContact C-N 3.33Å; L993-F995 PolarHBondContact O-N 2.95Å; F995-E999 WeakPolarHBondContact O-CB 3.41Å; F995-E999 PolarHBondContact O-N 2.9Å; F995-E999 VanDerWaalsContact O-N 3.1Å
996	V	98.1	Very high	97.2	Very high	72 Å²	72	48.2 Å²	48.2	44%	0.436	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-41.8	-179.4	173.3	0	0	0	0	111.1	L992 L993 I994 E999 V1000	L992-V996 HydrophobicContact CD1-CG2 4.25Å; L992-V996 HydrophobicContact CG-CG2 4.45Å; L992-V996 WeakPolarHBondContact O-CG2 3.34Å; L992-V996 PolarHBondContact O-N 2.95Å; L993-V996 PolarHBondContact O-N 3.46Å; I994-V996 PolarHBondContact O-N 2.84Å; V996-E999 PolarHBondContact O-N 3.38Å; V996-V1000 HydrophobicContact CG1-CG2 4.28Å; V996-V1000 WeakPolarHBondContact O-CB 3.5Å; V996-V1000 VanDerWaalsContact O-CG2 3.27Å; V996-V1000 WeakPolarHBondContact O-CG2 3.35Å; V996-V1000 PolarHBondContact O-N 3.46Å
997	Y	98.1	Very high	97.1	Very high	87 Å²	87	56.9 Å²	56.9	34%	0.341	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-54	-179.7	173.3	-103.6	0	0	0	111.8	Q852 I853 L993 I994 E999 V1000 R1001	Q852-Y997 HydrophobicContact CB-CE1 4.49Å; Q852-Y997 PolarHBondContact OE1-OH 3.25Å; I853-Y997 HydrophobicContact CD1-CD1 3.67Å; I853-Y997 HydrophobicContact CD1-CE1 3.91Å; L993-Y997 WeakPolarHBondContact O-CB 3.28Å; L993-Y997 PolarHBondContact O-N 3.31Å; I994-Y997 PolarHBondContact O-N 3.33Å; Y997-E999 PolarHBondContact O-N 3Å; Y997-V1000 PolarHBondContact O-N 3.43Å; Y997-R1001 WeakPolarHBondContact O-CB 3.27Å; Y997-R1001 PolarHBondContact O-N 3.14Å
998	D	97.8	Very high	97	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.011	29%	0.287	C	S	.	.	H	α-helix	trans	-69.5	-34.6	-178.8	-175.3	68.8	0	0	0	112	I932 I994 V1000 R1001 K1002	I932-D998 HydrophobicContact CB-CB 3.84Å; I932-D998 WeakPolarHBondContact CB-OD2 3.48Å; I932-D998 HydrophobicContact CD1-CB 3.69Å; I932-D998 HydrophobicContact CG1-CB 4.37Å; I932-D998 HydrophobicContact CG2-CB 3.73Å; I994-D998 PolarHBondContact O-N 3.36Å; I994-D998 VanDerWaalsContact O-N 3.08Å; D998-V1000 PolarHBondContact O-N 3.1Å; D998-R1001 WeakPolarHBondContact O-CB 3.48Å; D998-R1001 PolarHBondContact O-N 3.5Å; D998-R1001 IonicContact OD1-CZ 3.23Å; D998-R1001 IonicContact OD1-NE 3.75Å; D998-R1001 PolarHBondContact OD1-NE 3.1Å; D998-R1001 IonicContact OD1-NH2 3.95Å; D998-R1001 PolarHBondContact OD1-NH2 3.08Å; D998-K1002 WeakPolarHBondContact O-CB 3.47Å; D998-K1002 VanDerWaalsContact O-CG 3.3Å; D998-K1002 WeakPolarHBondContact O-CG 3.39Å; D998-K1002 PolarHBondContact O-N 3.39Å; D998-K1002 WeakPolarHBondContact OD2-CD 3.41Å; D998-K1002 WeakPolarHBondContact OD2-CE 3.4Å; D998-K1002 IonicContact OD2-NZ 3.94Å; D998-K1002 PolarHBondContact OD2-NZ 2.54Å
999	E	97.9	Very high	96.7	Very high	22 Å²	22	58.6 Å²	58.6	10%	0.103	29%	0.293	C	S	.	.	H	α-helix	trans	-66.1	-38.2	176.8	-168.6	54.6	-136.3	0	0	112.1	S939 L940 F995 V996 Y997 K1002 F1003 R1006	S939-E999 VanDerWaalsContact CA-OE1 3.23Å; S939-E999 WeakPolarHBondContact CA-OE1 3.1Å; S939-E999 WeakPolarHBondContact CB-OE1 3.33Å; S939-E999 VanDerWaalsContact OG-CD 3.31Å; S939-E999 PolarHBondContact OG-OE1 3.38Å; L940-E999 PolarHBondContact N-OE2 3.45Å; F995-E999 WeakPolarHBondContact O-CB 3.41Å; F995-E999 PolarHBondContact O-N 2.9Å; F995-E999 VanDerWaalsContact O-N 3.1Å; V996-E999 PolarHBondContact O-N 3.38Å; Y997-E999 PolarHBondContact O-N 3Å; E999-K1002 VanDerWaalsContact OE2-CE 3.24Å; E999-K1002 WeakPolarHBondContact OE2-CE 3.47Å; E999-K1002 IonicContact OE2-NZ 3.77Å; E999-K1002 PolarHBondContact OE2-NZ 2.92Å; E999-F1003 WeakPolarHBondContact O-CB 3.46Å; E999-F1003 PolarHBondContact O-N 2.97Å; E999-R1006 IonicContact OE1-NH2 2.87Å; E999-R1006 PolarHBondContact OE1-NH2 3.02Å
1000	V	97.3	Very high	96.4	Very high	76 Å²	76	57.2 Å²	57.2	46%	0.461	29%	0.293	S	S	.	.	H	α-helix	trans	-66.4	-42.9	171.9	171.9	0	0	0	0	111	V996 Y997 D998 K1002 F1003 I1004	V996-V1000 HydrophobicContact CG1-CG2 4.28Å; V996-V1000 WeakPolarHBondContact O-CB 3.5Å; V996-V1000 VanDerWaalsContact O-CG2 3.27Å; V996-V1000 WeakPolarHBondContact O-CG2 3.35Å; V996-V1000 PolarHBondContact O-N 3.46Å; Y997-V1000 PolarHBondContact O-N 3.43Å; D998-V1000 PolarHBondContact O-N 3.1Å; V1000-K1002 PolarHBondContact O-N 3.49Å; V1000-F1003 WeakPolarHBondContact O-CB 3.08Å; V1000-F1003 PolarHBondContact O-N 2.96Å; V1000-F1003 VanDerWaalsContact O-N 3.17Å; V1000-I1004 HydrophobicContact CG1-CD1 4.09Å; V1000-I1004 WeakPolarHBondContact O-CG1 3.01Å; V1000-I1004 PolarHBondContact O-N 3.42Å
1001	R	96.9	Very high	96.1	Very high	9 Å²	9	55.4 Å²	55.4	3%	0.034	29%	0.292	C	S	.	.	H	α-helix	trans	-57.2	-49.5	175.4	-174.5	-165.9	69.5	86.6	1.1	111.1	M848 Y997 D998 F1003 I1004 L1005 V1013 T1017	M848-R1001 VanDerWaalsContact CE-NE 3.34Å; Y997-R1001 WeakPolarHBondContact O-CB 3.27Å; Y997-R1001 PolarHBondContact O-N 3.14Å; D998-R1001 WeakPolarHBondContact O-CB 3.48Å; D998-R1001 PolarHBondContact O-N 3.5Å; D998-R1001 IonicContact OD1-CZ 3.23Å; D998-R1001 IonicContact OD1-NE 3.75Å; D998-R1001 PolarHBondContact OD1-NE 3.1Å; D998-R1001 IonicContact OD1-NH2 3.95Å; D998-R1001 PolarHBondContact OD1-NH2 3.08Å; R1001-F1003 VanDerWaalsContact C-N 3.31Å; R1001-F1003 PolarHBondContact O-N 2.94Å; R1001-I1004 PolarHBondContact O-N 2.85Å; R1001-I1004 VanDerWaalsContact O-N 3.14Å; R1001-L1005 VanDerWaalsContact NH1-CD1 3.26Å; R1001-L1005 WeakPolarHBondContact O-CG 3.39Å; R1001-L1005 PolarHBondContact O-N 3.17Å; R1001-V1013 HydrophobicContact CG-CG1 3.7Å; R1001-T1017 PolarHBondContact NH1-O 3.12Å; R1001-T1017 PolarHBondContact NH1-OG1 2.85Å
1002	K	96.8	Very high	95.9	Very high	1 Å²	1	63.5 Å²	63.5	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-34.5	176.4	-67.4	179.2	-55.7	-153.5	0	112.3	T935 N938 D998 E999 V1000 L1005 R1006	T935-K1002 WeakPolarHBondContact O-CD 3.33Å; T935-K1002 PolarHBondContact OG1-NZ 2.79Å; T935-K1002 VanDerWaalsContact OG1-NZ 3.08Å; N938-K1002 WeakPolarHBondContact O-CD 3.38Å; D998-K1002 WeakPolarHBondContact O-CB 3.47Å; D998-K1002 VanDerWaalsContact O-CG 3.3Å; D998-K1002 WeakPolarHBondContact O-CG 3.39Å; D998-K1002 PolarHBondContact O-N 3.39Å; D998-K1002 WeakPolarHBondContact OD2-CD 3.41Å; D998-K1002 WeakPolarHBondContact OD2-CE 3.4Å; D998-K1002 IonicContact OD2-NZ 3.94Å; D998-K1002 PolarHBondContact OD2-NZ 2.54Å; E999-K1002 VanDerWaalsContact OE2-CE 3.24Å; E999-K1002 WeakPolarHBondContact OE2-CE 3.47Å; E999-K1002 IonicContact OE2-NZ 3.77Å; E999-K1002 PolarHBondContact OE2-NZ 2.92Å; V1000-K1002 PolarHBondContact O-N 3.49Å; K1002-L1005 HydrophobicContact CG-CD1 4.46Å; K1002-L1005 WeakPolarHBondContact O-CB 3.44Å; K1002-L1005 PolarHBondContact O-N 3.33Å; K1002-R1006 VanDerWaalsContact CB-NH1 3.35Å; K1002-R1006 WeakPolarHBondContact O-CG 3.38Å; K1002-R1006 PolarHBondContact O-N 3.31Å; K1002-R1006 PolarHBondContact O-NH1 3.14Å
1003	F	96.7	Very high	95.7	Very high	106 Å²	106	59.8 Å²	59.8	47%	0.465	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-43.6	171.6	173.8	-101.7	0	0	0	112.1	E999 V1000 R1001 R1006 R1007	E999-F1003 WeakPolarHBondContact O-CB 3.46Å; E999-F1003 PolarHBondContact O-N 2.97Å; V1000-F1003 WeakPolarHBondContact O-CB 3.08Å; V1000-F1003 PolarHBondContact O-N 2.96Å; V1000-F1003 VanDerWaalsContact O-N 3.17Å; R1001-F1003 VanDerWaalsContact C-N 3.31Å; R1001-F1003 PolarHBondContact O-N 2.94Å; F1003-R1006 PolarHBondContact O-N 3.38Å; F1003-R1007 WeakPolarHBondContact O-CB 3.37Å; F1003-R1007 PolarHBondContact O-N 3.47Å
1004	I	96	Very high	95.4	Very high	65 Å²	65	57.3 Å²	57.3	33%	0.333	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-44	176.2	-62.3	164.6	0	0	0	110.6	V1000 R1001 R1006 R1007 S1008 V1013	V1000-I1004 HydrophobicContact CG1-CD1 4.09Å; V1000-I1004 WeakPolarHBondContact O-CG1 3.01Å; V1000-I1004 PolarHBondContact O-N 3.42Å; R1001-I1004 PolarHBondContact O-N 2.85Å; R1001-I1004 VanDerWaalsContact O-N 3.14Å; I1004-R1006 VanDerWaalsContact C-N 3.29Å; I1004-R1006 PolarHBondContact O-N 3.47Å; I1004-R1007 PolarHBondContact O-N 3.25Å; I1004-R1007 VanDerWaalsContact O-N 3.11Å; I1004-S1008 PolarHBondContact O-N 2.95Å; I1004-S1008 PolarHBondContact O-OG 3.35Å; I1004-S1008 VanDerWaalsContact O-OG 3.07Å; I1004-V1013 HydrophobicContact CB-CG2 4.48Å; I1004-V1013 HydrophobicContact CG2-CB 4.18Å; I1004-V1013 HydrophobicContact CG2-CG2 3.69Å
1005	L	94.1	Very high	95.1	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-53.4	-44.3	174.6	-73.5	173.7	0	0	0	112.9	R937 R1001 K1002 V1013 E1014 Y1018	R937-L1005 PolarHBondContact NH2-O 3.22Å; R1001-L1005 VanDerWaalsContact NH1-CD1 3.26Å; R1001-L1005 WeakPolarHBondContact O-CG 3.39Å; R1001-L1005 PolarHBondContact O-N 3.17Å; K1002-L1005 HydrophobicContact CG-CD1 4.46Å; K1002-L1005 WeakPolarHBondContact O-CB 3.44Å; K1002-L1005 PolarHBondContact O-N 3.33Å; L1005-V1013 HydrophobicContact CD2-CB 4.17Å; L1005-V1013 HydrophobicContact CD2-CG1 3.78Å; L1005-V1013 HydrophobicContact CG-CG1 3.9Å; L1005-E1014 HydrophobicContact CD2-CB 3.58Å; L1005-E1014 HydrophobicContact CD2-CG 4.2Å; L1005-E1014 VanDerWaalsContact CD2-N 3.33Å; L1005-Y1018 HydrophobicContact CD1-CD2 4.43Å
1006	R	94.8	Very high	94.9	Very high	61 Å²	61	64.4 Å²	64.4	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-72.1	-33.9	179.3	-68.5	-174.9	-58.9	-93.2	6.1	112.3	R937 E999 K1002 F1003 I1004	R937-R1006 HydrophobicContact CG-CG 4.29Å; R937-R1006 PolarHBondContact O-NH1 2.92Å; E999-R1006 IonicContact OE1-NH2 2.87Å; E999-R1006 PolarHBondContact OE1-NH2 3.02Å; K1002-R1006 VanDerWaalsContact CB-NH1 3.35Å; K1002-R1006 WeakPolarHBondContact O-CG 3.38Å; K1002-R1006 PolarHBondContact O-N 3.31Å; K1002-R1006 PolarHBondContact O-NH1 3.14Å; F1003-R1006 PolarHBondContact O-N 3.38Å; I1004-R1006 VanDerWaalsContact C-N 3.29Å; I1004-R1006 PolarHBondContact O-N 3.47Å
1007	R	95.4	Very high	94.7	Very high	198 Å²	198	61.3 Å²	61.3	75%	0.747	30%	0.304	S	S	*	.	H	α-helix	trans	-78.1	-34.4	-177.2	-171.4	176.8	177.3	-178.7	-0.6	113.1	F1003 I1004	F1003-R1007 WeakPolarHBondContact O-CB 3.37Å; F1003-R1007 PolarHBondContact O-N 3.47Å; I1004-R1007 PolarHBondContact O-N 3.25Å; I1004-R1007 VanDerWaalsContact O-N 3.11Å
1008	S	93.6	Very high	94.6	Very high	50 Å²	50	60 Å²	60	35%	0.35	30%	0.299	S	S	.	.	S	Bend	trans	-128	74.3	-178.9	58.1	0	0	0	0	111.6	I1004 G1011	I1004-S1008 PolarHBondContact O-N 2.95Å; I1004-S1008 PolarHBondContact O-OG 3.35Å; I1004-S1008 VanDerWaalsContact O-OG 3.07Å; S1008-G1011 PolarHBondContact O-N 3.41Å; S1008-G1011 VanDerWaalsContact O-N 3.16Å
1009	P	91.3	Very high	94.3	Very high	93 Å²	93	60.5 Å²	60.5	60%	0.604	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	136.7	175.7	26.5	-33.2	0	0	0	110.8	G1011 E1014	P1009-G1011 VanDerWaalsContact C-N 3.28Å; P1009-G1011 PolarHBondContact O-N 3.06Å; P1009-E1014 VanDerWaalsContact CA-OE2 3.28Å; P1009-E1014 WeakPolarHBondContact CA-OE2 3.33Å
1010	G	90.4	Very high	94.1	Very high	49 Å²	49	62.5 Å²	62.5	51%	0.505	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-3.2	-174.4	0	0	0	0	0	115	E1014 Q1015	G1010-E1014 PolarHBondContact N-OE2 3.11Å; G1010-Q1015 PolarHBondContact O-NE2 3.42Å; G1010-Q1015 VanDerWaalsContact O-NE2 3.11Å
1011	G	91.6	Very high	94	Very high	22 Å²	22	61.7 Å²	61.7	23%	0.227	30%	0.303	C	S	.	.	S	Bend	trans	-73.4	175.9	179.1	0	0	0	0	0	114.1	S1008 P1009 V1013 E1014 Q1015	S1008-G1011 PolarHBondContact O-N 3.41Å; S1008-G1011 VanDerWaalsContact O-N 3.16Å; P1009-G1011 VanDerWaalsContact C-N 3.28Å; P1009-G1011 PolarHBondContact O-N 3.06Å; G1011-V1013 VanDerWaalsContact C-N 3.32Å; G1011-V1013 PolarHBondContact O-N 3.31Å; G1011-E1014 PolarHBondContact O-N 2.94Å; G1011-Q1015 PolarHBondContact O-N 3.49Å
1012	W	93.8	Very high	93.8	Very high	181 Å²	181	64.7 Å²	64.7	69%	0.686	32%	0.318	S	S	*	.	H	α-helix	trans	-54.7	-42.7	-176.9	-175.4	78.5	0	0	0	113.4	E1014 Q1015 E1016	W1012-E1014 VanDerWaalsContact C-N 3.26Å; W1012-E1014 PolarHBondContact O-N 3.5Å; W1012-Q1015 PolarHBondContact O-N 3.07Å; W1012-Q1015 VanDerWaalsContact O-N 3.15Å; W1012-E1016 HydrophobicContact CD2-CG 3.99Å; W1012-E1016 HydrophobicContact CG-CG 4.3Å; W1012-E1016 HydrophobicContact CH2-CG 4.47Å; W1012-E1016 HydrophobicContact CZ2-CB 4.47Å; W1012-E1016 HydrophobicContact CZ2-CG 3.81Å; W1012-E1016 WeakPolarHBondContact O-CG 3.4Å; W1012-E1016 PolarHBondContact O-N 3.48Å
1013	V	93.7	Very high	93.6	Very high	24 Å²	24	68.4 Å²	68.4	15%	0.145	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-34.9	179.6	-176.1	0	0	0	0	111.7	R1001 I1004 L1005 G1011 T1017	R1001-V1013 HydrophobicContact CG-CG1 3.7Å; I1004-V1013 HydrophobicContact CB-CG2 4.48Å; I1004-V1013 HydrophobicContact CG2-CB 4.18Å; I1004-V1013 HydrophobicContact CG2-CG2 3.69Å; L1005-V1013 HydrophobicContact CD2-CB 4.17Å; L1005-V1013 HydrophobicContact CD2-CG1 3.78Å; L1005-V1013 HydrophobicContact CG-CG1 3.9Å; G1011-V1013 VanDerWaalsContact C-N 3.32Å; G1011-V1013 PolarHBondContact O-N 3.31Å; V1013-T1017 HydrophobicContact CG1-CG2 4.47Å; V1013-T1017 VanDerWaalsContact CG1-OG1 3.31Å; V1013-T1017 WeakPolarHBondContact CG1-OG1 3.5Å; V1013-T1017 WeakPolarHBondContact O-CA 3.45Å; V1013-T1017 WeakPolarHBondContact O-CB 3.22Å; V1013-T1017 PolarHBondContact O-N 2.94Å; V1013-T1017 PolarHBondContact O-OG1 3.11Å
1014	E	92.8	Very high	93.4	Very high	39 Å²	39	66.1 Å²	66.1	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-73.3	-38.9	177.2	-173	163.3	-161.7	0	0	111.9	R937 L1005 P1009 G1010 G1011 W1012 E1016 Y1018	R937-E1014 IonicContact NH1-OE1 3.33Å; R937-E1014 PolarHBondContact NH1-OE1 2.92Å; R937-E1014 IonicContact NH1-OE2 3.73Å; L1005-E1014 HydrophobicContact CD2-CB 3.58Å; L1005-E1014 HydrophobicContact CD2-CG 4.2Å; L1005-E1014 VanDerWaalsContact CD2-N 3.33Å; P1009-E1014 VanDerWaalsContact CA-OE2 3.28Å; P1009-E1014 WeakPolarHBondContact CA-OE2 3.33Å; G1010-E1014 PolarHBondContact N-OE2 3.11Å; G1011-E1014 PolarHBondContact O-N 2.94Å; W1012-E1014 VanDerWaalsContact C-N 3.26Å; W1012-E1014 PolarHBondContact O-N 3.5Å; E1014-E1016 VanDerWaalsContact C-N 3.32Å; E1014-E1016 PolarHBondContact O-N 2.84Å; E1014-Y1018 HydrophobicContact CG-CD1 4.15Å; E1014-Y1018 HydrophobicContact CG-CG 4.36Å; E1014-Y1018 VanDerWaalsContact O-CB 3.3Å; E1014-Y1018 WeakPolarHBondContact O-CB 3.33Å; E1014-Y1018 PolarHBondContact O-N 2.97Å
1015	Q	91.9	Very high	93.3	Very high	109 Å²	109	66.1 Å²	66.1	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-70.7	-27.3	179.4	-63.8	-177.8	7.7	0	0	113.3	R844 G1010 G1011 W1012	R844-Q1015 PolarHBondContact NE-O 3.16Å; R844-Q1015 PolarHBondContact NH2-O 2.82Å; G1010-Q1015 PolarHBondContact O-NE2 3.42Å; G1010-Q1015 VanDerWaalsContact O-NE2 3.11Å; G1011-Q1015 PolarHBondContact O-N 3.49Å; W1012-Q1015 PolarHBondContact O-N 3.07Å; W1012-Q1015 VanDerWaalsContact O-N 3.15Å
1016	E	93.9	Very high	93.2	Very high	86 Å²	86	70.8 Å²	70.8	40%	0.402	35%	0.351	S	S	.	.	H	α-helix	trans	-102.1	-33.1	-176.7	-64.7	-62.3	161.7	0	0	113.9	W1012 E1014	W1012-E1016 HydrophobicContact CD2-CG 3.99Å; W1012-E1016 HydrophobicContact CG-CG 4.3Å; W1012-E1016 HydrophobicContact CH2-CG 4.47Å; W1012-E1016 HydrophobicContact CZ2-CB 4.47Å; W1012-E1016 HydrophobicContact CZ2-CG 3.81Å; W1012-E1016 WeakPolarHBondContact O-CG 3.4Å; W1012-E1016 PolarHBondContact O-N 3.48Å; E1014-E1016 VanDerWaalsContact C-N 3.32Å; E1014-E1016 PolarHBondContact O-N 2.84Å
1017	T	94.3	Very high	93.1	Very high	7 Å²	7	71.5 Å²	71.5	4%	0.043	36%	0.36	C	S	.	.	H	α-helix	trans	-120.9	-10.1	-167.5	76.3	0	0	0	0	115.2	M848 R1001 V1013 Y1019	M848-T1017 WeakPolarHBondContact CG-O 3.32Å; M848-T1017 VanDerWaalsContact SD-CB 3.55Å; M848-T1017 HydrophobicContact SD-CG2 3.91Å; R1001-T1017 PolarHBondContact NH1-O 3.12Å; R1001-T1017 PolarHBondContact NH1-OG1 2.85Å; V1013-T1017 HydrophobicContact CG1-CG2 4.47Å; V1013-T1017 VanDerWaalsContact CG1-OG1 3.31Å; V1013-T1017 WeakPolarHBondContact CG1-OG1 3.5Å; V1013-T1017 WeakPolarHBondContact O-CA 3.45Å; V1013-T1017 WeakPolarHBondContact O-CB 3.22Å; V1013-T1017 PolarHBondContact O-N 2.94Å; V1013-T1017 PolarHBondContact O-OG1 3.11Å; T1017-Y1019 PolarHBondContact O-N 2.89Å
1018	Y	95.7	Very high	92.9	Very high	59 Å²	59	61 Å²	61	23%	0.231	33%	0.328	C	S	.	.			trans	-86.2	91.6	176.6	-175	-120.8	0	0	0	109.8	R844 R936 R937 L1005 E1014	R844-Y1018 WeakPolarHBondContact CD-O 3.22Å; R844-Y1018 PolarHBondContact NH1-O 3.37Å; R936-Y1018 HydrophobicContact CB-CE2 3.95Å; R937-Y1018 HydrophobicContact CB-CE2 3.91Å; L1005-Y1018 HydrophobicContact CD1-CD2 4.43Å; E1014-Y1018 HydrophobicContact CG-CD1 4.15Å; E1014-Y1018 HydrophobicContact CG-CG 4.36Å; E1014-Y1018 VanDerWaalsContact O-CB 3.3Å; E1014-Y1018 WeakPolarHBondContact O-CB 3.33Å; E1014-Y1018 PolarHBondContact O-N 2.97Å
1019	Y	91.6	Very high	92.8	Very high	13 Å²	13	62 Å²	62	5%	0.051	33%	0.326	C	S	.	.			trans	-78.7	0	179.6	57.7	-92.9	0	0	0	112.7	K769 A773 N842 L845 M848 R936 T1017	K769-Y1019 PolarHBondContact NZ-OXT 3Å; A773-Y1019 HydrophobicContact CB-CE2 3.94Å; N842-Y1019 PolarHBondContact ND2-OXT 2.92Å; L845-Y1019 HydrophobicContact CB-CG 4.25Å; L845-Y1019 HydrophobicContact CD1-CD2 3.99Å; L845-Y1019 HydrophobicContact CG-CD2 4.09Å; L845-Y1019 HydrophobicContact CG-CG 4.26Å; M848-Y1019 HydrophobicContact CB-CD1 4.12Å; M848-Y1019 HydrophobicContact CB-CE1 4.26Å; M848-Y1019 HydrophobicContact CG-CD1 3.94Å; M848-Y1019 HydrophobicContact CG-CE1 4.25Å; R936-Y1019 HydrophobicContact CG-CD2 4.3Å; R936-Y1019 HydrophobicContact CG-CE2 3.7Å; R936-Y1019 PolarHBondContact NE-O 3.22Å; R936-Y1019 PolarHBondContact NH2-O 2.54Å; R936-Y1019 PolarHBondContact NH2-OXT 3.44Å; T1017-Y1019 PolarHBondContact O-N 2.89Å

Retrieved 1,019 of 1,019 residues in 455.3 ms (Link to these results)

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