A0A087YJ02_POEFO Loading...

Guanylate cyclase

Receptor for the C-type natriuretic peptide NPPC/CNP hormone. Has guanylate cyclase activity upon binding of its ligand. May play a role in the regulation of skeletal growth.

AlphaFold DB , UniProt , Accession A0A087YJ02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,057 aa.

						>A0A087YJ02_POEFO|A0A087YJ02
KPLQAERTEMGRRAALGCCLLAALCLLRGCWSDITVAVMLPDNYSMYAWALPRVLPAILMAKEDLHGKHNLLLGHNINILNYSTQDPAAGSCAESRAQVLAVDAKLYVHPDVFFGPGCVYPLASVARFASHWKLPLITAGGPAYGFDAREEYRTIVRSGPTTTKIGDFINALHTQFNWTSRAVVIFYDQRQDDRPHYFLSEGIYLNLKQEINVTVEARPYQKEQDHKELVGFIKESGRIIYICGPLESFMSIMKLFQEDTPDPENYAILYLDVFGESLTDRKPWQKANFDWANAVEVFKSVFIITYHNPENPEYLDFQRRLHARAQRDFGVHLEPSLMDYIAGSFYDGFLLYAMALEDTLAEGGVQNDGINITMRTQNRRFWGITGLVTIDDKNARNIDVDLWSMTNQETGEFGVVAYFNGSSKEIIWSQTEKIHWPSGGPPLDNPPCVFSTDDPSCNDGQLPVLGIVAVGSGLALIIFGISSFLIYRKLKLEKELAGMLWRIRWEDLQFESPNKYHKRAGSRLTLSQRGSSYGSLITAHGKYQLFAKTGYFKGNLVAIKHVNKKRIELTRQVLMELKHMRDIQFNHLTRFIGACIDPPNICIITEYCPRGSLQDILENESINLDWMFRYSLINDIVKGMNYLQNSYFGCHGNLKSSNCVVDSRFVLKITDYGLASFRSSCENDDSHALYAKKLWTAPELLIYDRHPPQGTQKGDVYSFGIILQEIALRNGPFYVEGMDLSPKALEIIQKVRNGQKPYFRPTTDNRCHPEELTILMEGCWAEDPAERPDFGHIKIYMAKLNKEGSTSILNNLLSRMEQYANNLENLVEERTQAYLEEKRKAENLLYQILPHSVAEQLKRGETVQAEAFDSVTIYFSDIVGFTSLSAESTPLQVVTLLNDLYTCFDAIIDNFDVYKVETIGDAYMVVSGLPVQNGKLHAREVASMSLALLEQVRTFKIRHRPNDQLRLRIGIHTGPVCAGVVGLKMPRYCLFGDTVNTASRMESNGEALKIHVSSATKEVLDEFGYFDLQLRGDVEMKGKGKMRTYWLLGEKTDVYVI
					

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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	K	51.4	Low	43	Very low	261 Å²	261	145.3 Å²	145.3	100%	1.135	75%	0.745	S	S	*	*				0	109	0	-68.9	178.7	176.6	179.8	0	105.7
2	P	43	Very low	43.1	Very low	124 Å²	124	149.3 Å²	149.3	81%	0.805	74%	0.744	S	S	*	*			cis	-124.9	123.2	26.9	35.1	-17.4	0	0	0	112.8
3	L	37.2	Very low	43.3	Very low	162 Å²	162	152.6 Å²	152.6	85%	0.848	74%	0.742	S	S	*	*	S	Bend	trans	-157.9	14	167.4	-108.7	159.7	0	0	0	111.9
4	Q	41.3	Very low	43.6	Very low	182 Å²	182	146.2 Å²	146.2	85%	0.85	73%	0.726	S	S	*	*	S	Bend	trans	-118.8	1.3	-173.4	-122.1	171.7	-7.1	0	0	113.3
5	A	42.3	Very low	43.9	Very low	75 Å²	75	140.1 Å²	140.1	62%	0.62	71%	0.708	S	S	*	*	S	Bend	trans	-95.5	-29.5	179	0	0	0	0	0	113.4	T8	A5-T8 PolarHBondContact O-OG1 3.34Å; A5-T8 VanDerWaalsContact O-OG1 3.13Å
6	E	40.4	Very low	44.2	Very low	160 Å²	160	138.4 Å²	138.4	75%	0.748	70%	0.701	S	S	*	*	H	α-helix	trans	-79.4	-20.2	-176.7	-84.7	-178.8	148.7	0	0	114.8
7	R	40.7	Very low	44.3	Very low	223 Å²	223	132.1 Å²	132.1	84%	0.842	68%	0.678	S	S	*	*	H	α-helix	trans	-76.5	-20.8	177.5	-93	-176.5	174.9	-177.8	-1.2	114
8	T	46.6	Very low	44.7	Very low	95 Å²	95	129.7 Å²	129.7	58%	0.583	67%	0.674	S	S	*	*	H	α-helix	trans	-86.2	-22.2	-179.8	19	0	0	0	0	113.8	A5 R12	A5-T8 PolarHBondContact O-OG1 3.34Å; A5-T8 VanDerWaalsContact O-OG1 3.13Å; T8-R12 PolarHBondContact O-N 2.72Å
9	E	43.1	Very low	44.9	Very low	124 Å²	124	127.5 Å²	127.5	58%	0.579	67%	0.67	S	S	*	*	H	α-helix	trans	-86.5	-34.4	-179.7	-137.2	178.9	170.5	0	0	112.3	R12 R13	E9-R12 PolarHBondContact O-N 3.37Å; E9-R13 PolarHBondContact O-N 2.76Å; E9-R13 VanDerWaalsContact O-N 3.12Å
10	M	43	Very low	44.9	Very low	148 Å²	148	126.2 Å²	126.2	73%	0.729	66%	0.663	S	S	*	*	H	α-helix	trans	-71.6	-33.8	176.1	-150.1	171.5	65.5	0	0	112.2	A14	M10-A14 WeakPolarHBondContact O-CB 3.47Å; M10-A14 PolarHBondContact O-N 3.2Å; M10-A14 VanDerWaalsContact O-N 3.1Å
11	G	43.6	Very low	45	Very low	44 Å²	44	125.7 Å²	125.7	45%	0.454	66%	0.66	S	S	.	*	H	α-helix	trans	-69.2	-34.4	173	0	0	0	0	0	113.6	A15	G11-A15 VanDerWaalsContact O-CB 3.3Å; G11-A15 WeakPolarHBondContact O-CB 3.32Å; G11-A15 PolarHBondContact O-N 3.43Å
12	R	45.2	Very low	44.8	Very low	194 Å²	194	115.8 Å²	115.8	73%	0.732	63%	0.627	S	S	*	*	H	α-helix	trans	-74.8	-33.3	176	-82.5	-177.9	173.3	-178.9	-1.8	113.1	T8 E9 L16	T8-R12 PolarHBondContact O-N 2.72Å; E9-R12 PolarHBondContact O-N 3.37Å; R12-L16 WeakPolarHBondContact O-CB 3.44Å; R12-L16 PolarHBondContact O-N 3.07Å
13	R	44.6	Very low	44.8	Very low	192 Å²	192	112 Å²	112	73%	0.725	61%	0.606	S	S	*	*	H	α-helix	trans	-72.6	-34.3	173.2	-74.3	-175.2	-179.9	-179.6	2.9	112.9	E9 G17	E9-R13 PolarHBondContact O-N 2.76Å; E9-R13 VanDerWaalsContact O-N 3.12Å; R13-G17 PolarHBondContact O-N 2.93Å
14	A	48.5	Very low	44.8	Very low	63 Å²	63	109.3 Å²	109.3	52%	0.521	59%	0.592	S	S	.	*	H	α-helix	trans	-69.7	-39.6	172.2	0	0	0	0	0	112.1	M10 G17 C18	M10-A14 WeakPolarHBondContact O-CB 3.47Å; M10-A14 PolarHBondContact O-N 3.2Å; M10-A14 VanDerWaalsContact O-N 3.1Å; A14-G17 PolarHBondContact O-N 2.99Å; A14-C18 WeakPolarHBondContact O-CB 3.43Å; A14-C18 PolarHBondContact O-N 2.71Å
15	A	48.3	Very low	44.7	Very low	55 Å²	55	104.9 Å²	104.9	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-69.6	-41.5	176	0	0	0	0	0	112.7	G11 C18 C19	G11-A15 VanDerWaalsContact O-CB 3.3Å; G11-A15 WeakPolarHBondContact O-CB 3.32Å; G11-A15 PolarHBondContact O-N 3.43Å; A15-C18 PolarHBondContact O-N 2.89Å; A15-C19 WeakPolarHBondContact O-CB 3.49Å; A15-C19 PolarHBondContact O-N 3.39Å; A15-C19 PolarHBondContact O-SG 2.79Å; A15-C19 VanDerWaalsContact O-SG 3.35Å
16	L	48.3	Very low	44.6	Very low	112 Å²	112	108.4 Å²	108.4	59%	0.586	59%	0.588	S	S	*	*	H	α-helix	trans	-67	-36.9	172.5	-108.1	92	0	0	0	111.9	R12 C19 L20	R12-L16 WeakPolarHBondContact O-CB 3.44Å; R12-L16 PolarHBondContact O-N 3.07Å; L16-C19 PolarHBondContact O-N 3.09Å; L16-L20 HydrophobicContact CD2-CD1 4.47Å; L16-L20 VanDerWaalsContact O-CB 3.29Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 PolarHBondContact O-N 3.17Å
17	G	46.4	Very low	44.4	Very low	31 Å²	31	107.8 Å²	107.8	32%	0.32	59%	0.589	S	S	.	*	H	α-helix	trans	-63.9	-43.1	175.2	0	0	0	0	0	112.5	R13 A14 L21	R13-G17 PolarHBondContact O-N 2.93Å; A14-G17 PolarHBondContact O-N 2.99Å; G17-L21 VanDerWaalsContact O-CB 3.3Å; G17-L21 WeakPolarHBondContact O-CB 3.49Å; G17-L21 PolarHBondContact O-N 2.95Å
18	C	51	Low	44.2	Very low	89 Å²	89	107.2 Å²	107.2	60%	0.601	59%	0.587	S	S	*	*	H	α-helix	trans	-69.6	-35.9	173.6	-81.9	0	0	0	0	112.9	A14 A15 A22	A14-C18 WeakPolarHBondContact O-CB 3.43Å; A14-C18 PolarHBondContact O-N 2.71Å; A15-C18 PolarHBondContact O-N 2.89Å; C18-A22 WeakPolarHBondContact O-CB 3.33Å; C18-A22 PolarHBondContact O-N 3.37Å
19	C	48.5	Very low	43.7	Very low	89 Å²	89	105 Å²	105	60%	0.601	58%	0.583	S	S	*	*	H	α-helix	trans	-72	-34	174.5	-74.1	0	0	0	0	112.6	A15 L16 A23	A15-C19 WeakPolarHBondContact O-CB 3.49Å; A15-C19 PolarHBondContact O-N 3.39Å; A15-C19 PolarHBondContact O-SG 2.79Å; A15-C19 VanDerWaalsContact O-SG 3.35Å; L16-C19 PolarHBondContact O-N 3.09Å; C19-A23 WeakPolarHBondContact O-CB 3.28Å; C19-A23 PolarHBondContact O-N 3.35Å
20	L	44.8	Very low	43.5	Very low	100 Å²	100	105.3 Å²	105.3	52%	0.524	60%	0.597	S	S	.	*	H	α-helix	trans	-72.8	-36.4	172.3	-97.4	135.7	0	0	0	111.9	L16 A23 L24	L16-L20 HydrophobicContact CD2-CD1 4.47Å; L16-L20 VanDerWaalsContact O-CB 3.29Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 PolarHBondContact O-N 3.17Å; L20-A23 PolarHBondContact O-N 2.92Å; L20-L24 HydrophobicContact CD2-CD1 4.5Å; L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 WeakPolarHBondContact O-CD1 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.44Å
21	L	47.5	Very low	44	Very low	117 Å²	117	105.6 Å²	105.6	61%	0.613	59%	0.591	S	S	*	*	H	α-helix	trans	-68.3	-38.8	171.2	-93.2	148.6	0	0	0	111.9	G17 L24 C25	G17-L21 VanDerWaalsContact O-CB 3.3Å; G17-L21 WeakPolarHBondContact O-CB 3.49Å; G17-L21 PolarHBondContact O-N 2.95Å; L21-L24 PolarHBondContact O-N 3.5Å; L21-C25 VanDerWaalsContact O-CB 3.27Å; L21-C25 WeakPolarHBondContact O-CB 3.41Å; L21-C25 PolarHBondContact O-N 2.91Å; L21-C25 PolarHBondContact O-SG 3.1Å
22	A	46.9	Very low	45.2	Very low	52 Å²	52	106.1 Å²	106.1	43%	0.43	59%	0.587	S	S	.	*	H	α-helix	trans	-66.9	-39.3	172.5	0	0	0	0	0	111.5	C18 C25 L26	C18-A22 WeakPolarHBondContact O-CB 3.33Å; C18-A22 PolarHBondContact O-N 3.37Å; A22-C25 PolarHBondContact O-N 2.97Å; A22-L26 WeakPolarHBondContact O-CB 3.17Å; A22-L26 WeakPolarHBondContact O-CD1 3.39Å; A22-L26 WeakPolarHBondContact O-CG 3.45Å; A22-L26 PolarHBondContact O-N 3.35Å
23	A	41.8	Very low	47.2	Very low	44 Å²	44	100.7 Å²	100.7	36%	0.364	57%	0.573	S	S	.	*	H	α-helix	trans	-71.4	-33.6	175.1	0	0	0	0	0	112.9	C19 L20 L26 L27	C19-A23 WeakPolarHBondContact O-CB 3.28Å; C19-A23 PolarHBondContact O-N 3.35Å; L20-A23 PolarHBondContact O-N 2.92Å; A23-L26 PolarHBondContact O-N 2.84Å; A23-L27 WeakPolarHBondContact O-CB 3.19Å; A23-L27 WeakPolarHBondContact O-CD1 3.28Å; A23-L27 WeakPolarHBondContact O-CG 3.48Å; A23-L27 PolarHBondContact O-N 3.47Å
24	L	38.6	Very low	49.4	Very low	106 Å²	106	91.5 Å²	91.5	56%	0.555	54%	0.538	S	S	*	.	H	α-helix	trans	-73.9	-32.4	172.8	-88.1	150.4	0	0	0	112.2	L20 L21 L26 L27 R28	L20-L24 HydrophobicContact CD2-CD1 4.5Å; L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 WeakPolarHBondContact O-CD1 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.44Å; L21-L24 PolarHBondContact O-N 3.5Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L27 PolarHBondContact O-N 3.35Å; L24-R28 PolarHBondContact O-N 3.29Å
25	C	39.4	Very low	51.6	Low	90 Å²	90	89.6 Å²	89.6	61%	0.608	52%	0.52	S	S	*	.	H	α-helix	trans	-71.1	-26.6	168.1	-83.3	0	0	0	0	112.7	L21 A22	L21-C25 VanDerWaalsContact O-CB 3.27Å; L21-C25 WeakPolarHBondContact O-CB 3.41Å; L21-C25 PolarHBondContact O-N 2.91Å; L21-C25 PolarHBondContact O-SG 3.1Å; A22-C25 PolarHBondContact O-N 2.97Å
26	L	39.1	Very low	53.9	Low	149 Å²	149	87 Å²	87	78%	0.78	50%	0.498	S	S	*	.	H	α-helix	trans	-78.3	-21.3	171.6	-75	162.9	0	0	0	112.7	A22 A23 L24	A22-L26 WeakPolarHBondContact O-CB 3.17Å; A22-L26 WeakPolarHBondContact O-CD1 3.39Å; A22-L26 WeakPolarHBondContact O-CG 3.45Å; A22-L26 PolarHBondContact O-N 3.35Å; A23-L26 PolarHBondContact O-N 2.84Å; L24-L26 VanDerWaalsContact C-N 3.33Å
27	L	37.2	Very low	56.2	Low	146 Å²	146	81.6 Å²	81.6	76%	0.764	47%	0.47	S	S	*	.	H	α-helix	trans	-93.4	-13.1	178.8	-79.2	161.4	0	0	0	114.1	A23 L24	A23-L27 WeakPolarHBondContact O-CB 3.19Å; A23-L27 WeakPolarHBondContact O-CD1 3.28Å; A23-L27 WeakPolarHBondContact O-CG 3.48Å; A23-L27 PolarHBondContact O-N 3.47Å; L24-L27 PolarHBondContact O-N 3.35Å
28	R	35	Very low	58.6	Low	211 Å²	211	80.1 Å²	80.1	80%	0.796	46%	0.455	S	S	*	.	S	Bend	trans	-114.2	97.5	163.9	-80	-176	173.2	-177.8	-2.4	107.6	L24 C30	L24-R28 PolarHBondContact O-N 3.29Å; R28-C30 PolarHBondContact O-N 3.38Å
29	G	37	Very low	60.7	Low	50 Å²	50	75.9 Å²	75.9	52%	0.515	43%	0.426	S	S	.	.			trans	-47	112.3	173	0	0	0	0	0	109.8	W31	G29-W31 PolarHBondContact O-N 3.06Å
30	C	39.6	Very low	63	Low	129 Å²	129	71.7 Å²	71.7	87%	0.872	40%	0.398	S	S	*	.			trans	-74.9	80	173.3	-167	0	0	0	0	106.3	R28 S32	R28-C30 PolarHBondContact O-N 3.38Å; C30-S32 PolarHBondContact O-N 3.28Å
31	W	53.6	Low	65.3	Low	155 Å²	155	67 Å²	67	59%	0.587	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-68.6	121.1	-179.7	-63.6	-19.5	0	0	0	108.6	G29 G74	G29-W31 PolarHBondContact O-N 3.06Å; W31-G74 WeakPolarHBondContact CZ3-O 3.36Å
32	S	66.9	Low	67.3	Low	55 Å²	55	64.5 Å²	64.5	39%	0.385	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-74.4	133.5	175.6	44.4	0	0	0	0	109.9	C30 H75 Q366	C30-S32 PolarHBondContact O-N 3.28Å; S32-H75 PolarHBondContact O-ND1 3.44Å; S32-H75 VanDerWaalsContact O-ND1 3.13Å; S32-Q366 PolarHBondContact OG-OE1 3.42Å
33	D	87.2	Confident	69.2	Low	79 Å²	79	64.1 Å²	64.1	42%	0.422	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-65	135.9	171.6	-77.9	8.8	0	0	0	109.4	N76 N78 Q366	D33-N76 WeakPolarHBondContact CA-O 3.39Å; D33-N78 PolarHBondContact OD2-ND2 3.17Å; D33-Q366 PolarHBondContact O-NE2 2.99Å
34	I	92.3	Very high	71.1	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.7	176.4	-60.5	163.5	0	0	0	108	V36 L72 H75 N76 I77 N78 D111 Y352 L356	I34-V36 HydrophobicContact CG2-CG2 4.43Å; I34-L72 HydrophobicContact CD1-CD1 3.97Å; I34-L72 HydrophobicContact CD1-CD2 4.45Å; I34-H75 HydrophobicContact CD1-CB 3.63Å; I34-H75 HydrophobicContact CG1-CB 4.31Å; I34-N76 PolarHBondContact N-O 3.1Å; I34-I77 HydrophobicContact CB-CG1 4.36Å; I34-I77 HydrophobicContact CD1-CG1 4.38Å; I34-I77 CarbonylContact O-C 3.58Å; I34-I77 WeakPolarHBondContact O-CA 3.19Å; I34-N78 PolarHBondContact O-N 2.75Å; I34-D111 WeakPolarHBondContact CA-OD2 3.13Å; I34-D111 HydrophobicContact CG2-CB 4.41Å; I34-Y352 HydrophobicContact CG2-CE1 4.32Å; I34-L356 HydrophobicContact CD1-CD2 3.53Å; I34-L356 HydrophobicContact CG1-CD2 4.22Å; I34-L356 HydrophobicContact CG2-CD2 4.44Å
35	T	94.7	Very high	73	Confident	22 Å²	22	65.6 Å²	65.6	14%	0.135	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120	-177.5	-55.9	0	0	0	0	111.3	N78 L80 V108 P110 D111 V112	T35-N78 WeakPolarHBondContact CA-O 3.4Å; T35-L80 HydrophobicContact CG2-CD1 3.97Å; T35-V108 HydrophobicContact CG2-CG1 3.76Å; T35-P110 HydrophobicContact CG2-CB 4.46Å; T35-D111 PolarHBondContact N-OD2 3.07Å; T35-D111 PolarHBondContact O-N 3.37Å; T35-V112 PolarHBondContact O-N 2.75Å
36	V	96.2	Very high	75.1	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.6	-177.9	-179.8	0	0	0	0	109.4	I34 V38 I77 N78 I79 L80 V112 F114 F349	I34-V36 HydrophobicContact CG2-CG2 4.43Å; V36-V38 HydrophobicContact CG1-CG2 4.26Å; V36-I77 HydrophobicContact CG2-CG2 3.7Å; V36-N78 PolarHBondContact N-O 2.96Å; V36-I79 HydrophobicContact CB-CG1 4.19Å; V36-I79 WeakPolarHBondContact O-CA 3.38Å; V36-L80 PolarHBondContact O-N 3.14Å; V36-V112 HydrophobicContact CB-CG1 4.18Å; V36-V112 HydrophobicContact CG1-CG1 4.11Å; V36-V112 HydrophobicContact CG2-CG1 3.73Å; V36-F114 HydrophobicContact CG1-CD2 3.53Å; V36-F114 HydrophobicContact CG1-CE2 4.02Å; V36-F114 HydrophobicContact CG1-CG 4.3Å; V36-F349 HydrophobicContact CG1-CE2 4.39Å; V36-F349 HydrophobicContact CG2-CE2 4.18Å
37	A	96.7	Very high	77.5	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	110	175.5	0	0	0	0	0	110.8	L80 Y82 P110 V112 F113 F114	A37-L80 CarbonylContact C-O 3.27Å; A37-Y82 HydrophobicContact CB-CD2 4.48Å; A37-Y82 HydrophobicContact CB-CE2 4.11Å; A37-P110 HydrophobicContact CB-CB 3.75Å; A37-P110 HydrophobicContact CB-CG 4.1Å; A37-V112 PolarHBondContact N-O 3.08Å; A37-F113 HydrophobicContact CB-CD1 3.66Å; A37-F113 HydrophobicContact CB-CE1 3.74Å; A37-F113 CarbonylContact O-C 3.53Å; A37-F113 WeakPolarHBondContact O-CA 3.39Å; A37-F114 PolarHBondContact O-N 2.84Å
38	V	97.2	Very high	80.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.5	176.9	-176.3	0	0	0	0	109.2	V36 L40 L51 L55 I58 I79 L80 N81 Y82 F114	V36-V38 HydrophobicContact CG1-CG2 4.26Å; V38-L40 HydrophobicContact CG1-CD1 3.83Å; V38-L40 HydrophobicContact CG1-CG 4.16Å; V38-L51 HydrophobicContact CG1-CD1 4.01Å; V38-L55 HydrophobicContact CG1-CD1 4.4Å; V38-L55 HydrophobicContact CG2-CD1 4.26Å; V38-I58 HydrophobicContact CG1-CD1 3.98Å; V38-I58 HydrophobicContact CG2-CD1 3.88Å; V38-I79 HydrophobicContact CG2-CG2 3.75Å; V38-L80 PolarHBondContact N-O 3.5Å; V38-N81 CarbonylContact O-C 3.56Å; V38-N81 WeakPolarHBondContact O-CA 3.03Å; V38-Y82 PolarHBondContact O-N 2.89Å; V38-F114 CarbonylContact C-O 3.06Å; V38-F114 WeakPolarHBondContact CA-O 3.28Å; V38-F114 HydrophobicContact CB-CB 4.49Å; V38-F114 HydrophobicContact CG2-CB 4.08Å
39	M	95.4	Very high	82.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	95.5	-174.6	-61.3	-174.7	69.1	0	0	110.6	Y82 T84 A97 L100 A101 F113 F114 P116 V125	M39-Y82 WeakPolarHBondContact CA-O 3.49Å; M39-Y82 HydrophobicContact CG-CD2 4.3Å; M39-T84 HydrophobicContact CB-CG2 3.86Å; M39-T84 HydrophobicContact CE-CG2 4.35Å; M39-A97 WeakPolarHBondContact CE-O 3.36Å; M39-L100 HydrophobicContact CE-CB 3.55Å; M39-A101 HydrophobicContact CE-CB 3.96Å; M39-A101 HydrophobicContact SD-CB 4.16Å; M39-F113 HydrophobicContact CG-CD1 4.3Å; M39-F113 HydrophobicContact SD-CD1 3.61Å; M39-F113 HydrophobicContact SD-CE1 3.68Å; M39-F114 PolarHBondContact N-O 3.42Å; M39-P116 HydrophobicContact CB-CG 4.48Å; M39-P116 VanDerWaalsContact O-CA 3.28Å; M39-P116 WeakPolarHBondContact O-CA 3.45Å; M39-V125 HydrophobicContact CE-CG2 4.5Å; M39-V125 HydrophobicContact SD-CG1 4.34Å
40	L	95.1	Very high	85.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.5	-172.8	-65.6	172.9	0	0	0	111.4	V38 W49 L51 V54 Y82 S83 T84 F345	V38-L40 HydrophobicContact CG1-CD1 3.83Å; V38-L40 HydrophobicContact CG1-CG 4.16Å; L40-W49 HydrophobicContact CD2-CB 4.39Å; L40-W49 WeakPolarHBondContact CD2-O 3.49Å; L40-L51 HydrophobicContact CB-CB 4.3Å; L40-L51 HydrophobicContact CB-CD1 4.09Å; L40-V54 HydrophobicContact CD1-CB 3.63Å; L40-V54 HydrophobicContact CD1-CG1 3.45Å; L40-V54 VanDerWaalsContact CD1-CG1 3.45Å; L40-V54 HydrophobicContact CD1-CG2 4.15Å; L40-Y82 PolarHBondContact N-O 3.42Å; L40-Y82 VanDerWaalsContact N-O 3.1Å; L40-S83 WeakPolarHBondContact O-CA 3.45Å; L40-T84 PolarHBondContact O-N 3.2Å; L40-T84 VanDerWaalsContact O-N 3.1Å; L40-F345 HydrophobicContact CD1-CZ 4.43Å; L40-F345 HydrophobicContact CD2-CZ 4.06Å
41	P	93.6	Very high	88.2	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.18	C	C	.	.			trans	-75.5	157.3	177.1	31.3	-34.5	0	0	0	111.5	Y47 A50 L51 Q85 C92	P41-Y47 HydrophobicContact CB-CD2 4Å; P41-Y47 HydrophobicContact CB-CE2 4.27Å; P41-Y47 HydrophobicContact CG-CD2 3.71Å; P41-Y47 HydrophobicContact CG-CE2 4.32Å; P41-Y47 HydrophobicContact CG-CG 3.89Å; P41-A50 CarbonylContact O-C 3.55Å; P41-A50 VanDerWaalsContact O-CA 3.28Å; P41-A50 WeakPolarHBondContact O-CA 3.26Å; P41-L51 PolarHBondContact O-N 3.31Å; P41-Q85 HydrophobicContact CB-CB 4.21Å; P41-C92 HydrophobicContact CB-CB 4.34Å
42	D	89.9	Confident	90.1	Very high	65 Å²	65	28.5 Å²	28.5	35%	0.348	16%	0.155	S	C	.	.	S	Bend	trans	-86.5	-25.8	-177.6	-59.5	-45.2	0	0	0	113.2	Y44 P52 S83	D42-Y44 PolarHBondContact O-N 3.37Å; D42-P52 VanDerWaalsContact O-CD 3.29Å; D42-P52 WeakPolarHBondContact O-CD 3.33Å; D42-P52 WeakPolarHBondContact O-CG 3.46Å; D42-S83 VanDerWaalsContact CG-OG 3.23Å; D42-S83 WeakPolarHBondContact OD2-CB 3.35Å; D42-S83 PolarHBondContact OD2-OG 2.87Å
43	N	86.8	Confident	91.4	Very high	44 Å²	44	26.4 Å²	26.4	24%	0.235	14%	0.139	C	C	.	.			trans	-71	98.4	-174.1	-170.1	-11.5	0	0	0	113	S45 M46 Y47 A50	N43-S45 PolarHBondContact OD1-N 3.29Å; N43-S45 PolarHBondContact OD1-OG 3.11Å; N43-M46 HydrophobicContact CB-CB 4.46Å; N43-M46 PolarHBondContact OD1-N 3.35Å; N43-Y47 HydrophobicContact CB-CD2 4.31Å; N43-Y47 HydrophobicContact CB-CE2 4.46Å; N43-Y47 PolarHBondContact O-N 3.26Å; N43-A50 WeakPolarHBondContact O-CB 3.48Å
44	Y	81.9	Confident	91.8	Very high	94 Å²	94	22.7 Å²	22.7	37%	0.369	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.2	-174.8	74.8	-89.6	0	0	0	115.6	D42 A50 R53 V331 L333	D42-Y44 PolarHBondContact O-N 3.37Å; Y44-A50 VanDerWaalsContact CA-CB 3.43Å; Y44-R53 PolarHBondContact O-NH1 3.3Å; Y44-R53 PolarHBondContact O-NH2 3.43Å; Y44-V331 HydrophobicContact CD1-CG1 3.77Å; Y44-V331 HydrophobicContact CD1-CG2 3.94Å; Y44-V331 HydrophobicContact CD2-CG1 3.62Å; Y44-V331 HydrophobicContact CE1-CB 4.43Å; Y44-V331 HydrophobicContact CE1-CG1 3.68Å; Y44-V331 HydrophobicContact CE1-CG2 3.85Å; Y44-V331 HydrophobicContact CE2-CG1 3.53Å; Y44-V331 HydrophobicContact CG-CG1 3.75Å; Y44-L333 HydrophobicContact CD2-CD2 4.07Å
45	S	79.3	Confident	92	Very high	88 Å²	88	23.3 Å²	23.3	62%	0.615	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-28.5	176.3	59.1	0	0	0	0	111.9	N43	N43-S45 PolarHBondContact OD1-N 3.29Å; N43-S45 PolarHBondContact OD1-OG 3.11Å
46	M	82.4	Confident	92	Very high	92 Å²	92	22.3 Å²	22.3	45%	0.453	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-34.4	-178.6	-170.3	176.2	-175	0	0	113.3	N43 D192	N43-M46 HydrophobicContact CB-CB 4.46Å; N43-M46 PolarHBondContact OD1-N 3.35Å; M46-D192 HydrophobicContact CE-CB 4.39Å
47	Y	90	Very high	92	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.035	12%	0.116	C	C	.	.			trans	-121.1	130.4	-173.1	-56.7	-76.7	0	0	0	112.3	P41 N43 W49 A50 R53 S91 C92 C118	P41-Y47 HydrophobicContact CB-CD2 4Å; P41-Y47 HydrophobicContact CB-CE2 4.27Å; P41-Y47 HydrophobicContact CG-CD2 3.71Å; P41-Y47 HydrophobicContact CG-CE2 4.32Å; P41-Y47 HydrophobicContact CG-CG 3.89Å; N43-Y47 HydrophobicContact CB-CD2 4.31Å; N43-Y47 HydrophobicContact CB-CE2 4.46Å; N43-Y47 PolarHBondContact O-N 3.26Å; Y47-W49 AromaticContact CD1-CE2 3.84Å; Y47-W49 AromaticContact CD1-CZ2 3.81Å; Y47-W49 HydrophobicContact CD1-CZ2 3.81Å; Y47-W49 AromaticContact CD1-NE1 3.61Å; Y47-W49 AromaticContact CG-NE1 3.9Å; Y47-W49 PolarHBondContact O-N 3.25Å; Y47-A50 WeakPolarHBondContact O-CB 3.48Å; Y47-A50 PolarHBondContact O-N 3.28Å; Y47-R53 PolarHBondContact O-NH1 3.32Å; Y47-S91 WeakPolarHBondContact OH-CA 3.32Å; Y47-S91 WeakPolarHBondContact OH-CB 3.07Å; Y47-C92 PolarHBondContact OH-N 3.46Å; Y47-C118 WeakPolarHBondContact CE1-SG 3.3Å
48	A	91.6	Very high	92	Very high	6 Å²	6	22.3 Å²	22.3	5%	0.05	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-35.3	172	0	0	0	0	0	111.7	A50 R53 F274 M338 I341	A48-A50 VanDerWaalsContact C-N 3.33Å; A48-A50 PolarHBondContact O-N 3.03Å; A48-R53 PolarHBondContact O-NH1 3.23Å; A48-F274 HydrophobicContact CB-CE1 4.13Å; A48-F274 HydrophobicContact CB-CE2 4.3Å; A48-F274 HydrophobicContact CB-CZ 3.73Å; A48-M338 HydrophobicContact CB-CB 4.02Å; A48-M338 HydrophobicContact CB-CG 4.09Å; A48-M338 HydrophobicContact CB-SD 4.43Å; A48-I341 HydrophobicContact CB-CB 4.18Å; A48-I341 HydrophobicContact CB-CG1 3.77Å; A48-I341 HydrophobicContact CB-CG2 4.46Å
49	W	94.1	Very high	91.8	Very high	27 Å²	27	24.4 Å²	24.4	10%	0.102	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	22.2	178.6	52.4	75.5	0	0	0	114.5	L40 Y47 V54 G117 C118 I341 F345	L40-W49 HydrophobicContact CD2-CB 4.39Å; L40-W49 WeakPolarHBondContact CD2-O 3.49Å; Y47-W49 AromaticContact CD1-CE2 3.84Å; Y47-W49 AromaticContact CD1-CZ2 3.81Å; Y47-W49 HydrophobicContact CD1-CZ2 3.81Å; Y47-W49 AromaticContact CD1-NE1 3.61Å; Y47-W49 AromaticContact CG-NE1 3.9Å; Y47-W49 PolarHBondContact O-N 3.25Å; W49-V54 HydrophobicContact CB-CG2 4.39Å; W49-G117 VanDerWaalsContact CE2-O 3.24Å; W49-G117 WeakPolarHBondContact CZ2-O 3.37Å; W49-G117 VanDerWaalsContact NE1-C 3.33Å; W49-C118 PolarHBondContact NE1-SG 2.81Å; W49-I341 HydrophobicContact CB-CG2 4.11Å; W49-F345 HydrophobicContact CB-CE2 3.88Å
50	A	93.8	Very high	91.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.			trans	-66.1	149.3	179	0	0	0	0	0	112.9	P41 N43 Y44 Y47 A48 R53 V54	P41-A50 CarbonylContact O-C 3.55Å; P41-A50 VanDerWaalsContact O-CA 3.28Å; P41-A50 WeakPolarHBondContact O-CA 3.26Å; N43-A50 WeakPolarHBondContact O-CB 3.48Å; Y44-A50 VanDerWaalsContact CA-CB 3.43Å; Y47-A50 WeakPolarHBondContact O-CB 3.48Å; Y47-A50 PolarHBondContact O-N 3.28Å; A48-A50 VanDerWaalsContact C-N 3.33Å; A48-A50 PolarHBondContact O-N 3.03Å; A50-R53 PolarHBondContact O-N 3.48Å; A50-V54 PolarHBondContact O-N 3.04Å
51	L	93.7	Very high	91.7	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-55.6	-43.4	-176.6	-165.5	74.7	0	0	0	113.4	V38 L40 P41 R53 V54 L55 N81	V38-L51 HydrophobicContact CG1-CD1 4.01Å; L40-L51 HydrophobicContact CB-CB 4.3Å; L40-L51 HydrophobicContact CB-CD1 4.09Å; P41-L51 PolarHBondContact O-N 3.31Å; L51-R53 PolarHBondContact O-N 3.37Å; L51-V54 PolarHBondContact O-N 3.42Å; L51-L55 HydrophobicContact CD1-CB 4.05Å; L51-L55 HydrophobicContact CD1-CD2 4.46Å; L51-L55 HydrophobicContact CG-CB 4.22Å; L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.33Å; L51-L55 PolarHBondContact O-N 3.01Å; L51-N81 HydrophobicContact CD1-CB 4.11Å; L51-N81 HydrophobicContact CD2-CB 4.31Å
52	P	93.3	Very high	91.7	Very high	10 Å²	10	28 Å²	28	7%	0.065	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-22.8	177.9	-24	36.1	0	0	0	114.3	D42 P56 F329 V331	D42-P52 VanDerWaalsContact O-CD 3.29Å; D42-P52 WeakPolarHBondContact O-CD 3.33Å; D42-P52 WeakPolarHBondContact O-CG 3.46Å; P52-P56 WeakPolarHBondContact O-CD 3.48Å; P52-P56 WeakPolarHBondContact O-CG 3.47Å; P52-F329 HydrophobicContact CB-CB 4.04Å; P52-F329 HydrophobicContact CB-CD1 4.02Å; P52-F329 HydrophobicContact CB-CD2 4.49Å; P52-F329 HydrophobicContact CB-CG 3.94Å; P52-F329 HydrophobicContact CG-CD1 4.13Å; P52-V331 HydrophobicContact CB-CG2 4.07Å
53	R	94.2	Very high	91.8	Very high	12 Å²	12	30.1 Å²	30.1	5%	0.045	15%	0.151	C	C	.	.	H	α-helix	trans	-91.2	-43.3	175.8	-167.1	-178.1	-67.3	100.4	0.3	111.3	Y44 Y47 A48 A50 L51 L321 L333 D339 A342	Y44-R53 PolarHBondContact O-NH1 3.3Å; Y44-R53 PolarHBondContact O-NH2 3.43Å; Y47-R53 PolarHBondContact O-NH1 3.32Å; A48-R53 PolarHBondContact O-NH1 3.23Å; A50-R53 PolarHBondContact O-N 3.48Å; L51-R53 PolarHBondContact O-N 3.37Å; R53-L321 HydrophobicContact CG-CD2 4.5Å; R53-L321 WeakPolarHBondContact O-CD1 3.4Å; R53-L333 HydrophobicContact CB-CD1 4.33Å; R53-L333 HydrophobicContact CG-CD1 3.94Å; R53-D339 IonicContact NE-OD1 2.7Å; R53-A342 HydrophobicContact CG-CB 4.03Å
54	V	96	Very high	92	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-85.5	-39.5	-171.1	175.7	0	0	0	0	113.4	L40 W49 A50 L51 A57 I58 F345	L40-V54 HydrophobicContact CD1-CB 3.63Å; L40-V54 HydrophobicContact CD1-CG1 3.45Å; L40-V54 VanDerWaalsContact CD1-CG1 3.45Å; L40-V54 HydrophobicContact CD1-CG2 4.15Å; W49-V54 HydrophobicContact CB-CG2 4.39Å; A50-V54 PolarHBondContact O-N 3.04Å; L51-V54 PolarHBondContact O-N 3.42Å; V54-A57 WeakPolarHBondContact O-CA 2.92Å; V54-A57 WeakPolarHBondContact O-CB 3.46Å; V54-A57 PolarHBondContact O-N 3.1Å; V54-I58 HydrophobicContact CG1-CD1 3.83Å; V54-I58 HydrophobicContact CG1-CG1 4.14Å; V54-I58 PolarHBondContact O-N 3.27Å; V54-F345 HydrophobicContact CB-CD2 4.24Å; V54-F345 HydrophobicContact CG1-CB 3.69Å; V54-F345 HydrophobicContact CG1-CD1 3.98Å; V54-F345 HydrophobicContact CG1-CD2 3.42Å; V54-F345 VanDerWaalsContact CG1-CD2 3.42Å; V54-F345 HydrophobicContact CG1-CE1 4.46Å; V54-F345 HydrophobicContact CG1-CE2 3.99Å; V54-F345 HydrophobicContact CG1-CG 3.43Å; V54-F345 VanDerWaalsContact CG1-CG 3.43Å; V54-F345 HydrophobicContact CG1-CZ 4.47Å; V54-F345 HydrophobicContact CG2-CD2 3.69Å; V54-F345 HydrophobicContact CG2-CE2 3.97Å
55	L	95.4	Very high	92.3	Very high	14 Å²	14	25 Å²	25	7%	0.073	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-41.6	-177	-170.5	65.4	0	0	0	112.5	V38 L51 A57 I58 L59 I79 N81 F329	V38-L55 HydrophobicContact CG1-CD1 4.4Å; V38-L55 HydrophobicContact CG2-CD1 4.26Å; L51-L55 HydrophobicContact CD1-CB 4.05Å; L51-L55 HydrophobicContact CD1-CD2 4.46Å; L51-L55 HydrophobicContact CG-CB 4.22Å; L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.33Å; L51-L55 PolarHBondContact O-N 3.01Å; L55-A57 PolarHBondContact O-N 3.1Å; L55-I58 PolarHBondContact O-N 3.31Å; L55-L59 HydrophobicContact CG-CD1 4.26Å; L55-L59 HydrophobicContact CG-CG 4.36Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 2.94Å; L55-I79 HydrophobicContact CD1-CG2 4.16Å; L55-N81 HydrophobicContact CD1-CB 4.44Å; L55-N81 HydrophobicContact CD2-CB 4.05Å; L55-F329 HydrophobicContact CB-CE2 4.31Å; L55-F329 HydrophobicContact CB-CZ 3.99Å; L55-F329 HydrophobicContact CD2-CE2 4.44Å; L55-F329 HydrophobicContact CD2-CZ 3.72Å; L55-F329 HydrophobicContact CG-CZ 4.35Å
56	P	95.6	Very high	92.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-54.7	-39.2	171.1	-29.8	38.9	0	0	0	113.6	P52 L59 M60 L321 R324 F329	P52-P56 WeakPolarHBondContact O-CD 3.48Å; P52-P56 WeakPolarHBondContact O-CG 3.47Å; P56-L59 PolarHBondContact O-N 3.11Å; P56-M60 VanDerWaalsContact O-CG 3.27Å; P56-M60 WeakPolarHBondContact O-CG 3.31Å; P56-M60 PolarHBondContact O-N 2.71Å; P56-L321 HydrophobicContact CB-CD1 4.05Å; P56-R324 HydrophobicContact CB-CB 4.13Å; P56-R324 HydrophobicContact CB-CG 3.88Å; P56-F329 HydrophobicContact CG-CD2 3.98Å; P56-F329 HydrophobicContact CG-CE2 3.76Å
57	A	95.9	Very high	92.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-45.5	177.6	0	0	0	0	0	112.1	V54 L55 L59 M60 A61 F317 L321 A342 Y346	V54-A57 WeakPolarHBondContact O-CA 2.92Å; V54-A57 WeakPolarHBondContact O-CB 3.46Å; V54-A57 PolarHBondContact O-N 3.1Å; L55-A57 PolarHBondContact O-N 3.1Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.47Å; A57-M60 PolarHBondContact O-N 3.03Å; A57-A61 PolarHBondContact O-N 2.9Å; A57-F317 HydrophobicContact CB-CE2 4.04Å; A57-F317 HydrophobicContact CB-CZ 3.77Å; A57-L321 HydrophobicContact CB-CD1 3.9Å; A57-A342 HydrophobicContact CB-CB 4.08Å; A57-A342 WeakPolarHBondContact CB-O 3.3Å; A57-Y346 WeakPolarHBondContact O-CD2 3.46Å
58	I	95.9	Very high	91.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-41.1	177.2	-62.5	176.3	0	0	0	110.9	V38 V54 L55 A61 K62 I79 F114 F345 F349	V38-I58 HydrophobicContact CG1-CD1 3.98Å; V38-I58 HydrophobicContact CG2-CD1 3.88Å; V54-I58 HydrophobicContact CG1-CD1 3.83Å; V54-I58 HydrophobicContact CG1-CG1 4.14Å; V54-I58 PolarHBondContact O-N 3.27Å; L55-I58 PolarHBondContact O-N 3.31Å; I58-A61 WeakPolarHBondContact O-CB 3.47Å; I58-A61 PolarHBondContact O-N 2.99Å; I58-K62 PolarHBondContact O-N 3.16Å; I58-I79 HydrophobicContact CG2-CD1 3.97Å; I58-F114 HydrophobicContact CD1-CB 4.28Å; I58-F114 HydrophobicContact CD1-CD1 4.1Å; I58-F114 HydrophobicContact CD1-CG 4.42Å; I58-F345 HydrophobicContact CD1-CD1 4.5Å; I58-F345 HydrophobicContact CG1-CB 4.37Å; I58-F349 HydrophobicContact CG2-CD2 3.77Å; I58-F349 HydrophobicContact CG2-CE2 3.96Å; I58-F349 HydrophobicContact CG2-CG 4.47Å
59	L	94.8	Very high	91.2	Very high	44 Å²	44	30.7 Å²	30.7	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-39.9	176.9	-70.2	176.3	0	0	0	112	L55 P56 A57 A61 K62 E63 I79	L55-L59 HydrophobicContact CG-CD1 4.26Å; L55-L59 HydrophobicContact CG-CG 4.36Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 2.94Å; P56-L59 PolarHBondContact O-N 3.11Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.47Å; L59-A61 VanDerWaalsContact C-N 3.34Å; L59-K62 PolarHBondContact O-N 3.05Å; L59-E63 WeakPolarHBondContact O-CG 3.39Å; L59-E63 PolarHBondContact O-N 2.82Å; L59-I79 HydrophobicContact CD2-CD1 3.93Å
60	M	94.1	Very high	90.7	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.02	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-41.4	172.3	-73.3	-173.9	-66	0	0	111.4	P56 A57 K62 E63 D64 F317 R320 L321 R324 Y346	P56-M60 VanDerWaalsContact O-CG 3.27Å; P56-M60 WeakPolarHBondContact O-CG 3.31Å; P56-M60 PolarHBondContact O-N 2.71Å; A57-M60 PolarHBondContact O-N 3.03Å; M60-K62 VanDerWaalsContact C-N 3.33Å; M60-K62 PolarHBondContact O-N 3.07Å; M60-E63 PolarHBondContact O-N 3.21Å; M60-D64 WeakPolarHBondContact O-CB 3.23Å; M60-D64 VanDerWaalsContact O-CG 3.31Å; M60-D64 PolarHBondContact O-N 2.97Å; M60-F317 HydrophobicContact CE-CD2 3.91Å; M60-F317 HydrophobicContact CE-CE2 3.53Å; M60-F317 HydrophobicContact CE-CZ 4.27Å; M60-R320 HydrophobicContact SD-CB 3.84Å; M60-L321 HydrophobicContact CE-CB 3.98Å; M60-L321 HydrophobicContact CE-CD1 3.63Å; M60-L321 HydrophobicContact CE-CG 4.47Å; M60-R324 VanDerWaalsContact CG-NH1 3.35Å; M60-Y346 HydrophobicContact CB-CD2 4.3Å; M60-Y346 HydrophobicContact CB-CE2 4.12Å
61	A	94.4	Very high	90.5	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-43.2	176.3	0	0	0	0	0	111.6	A57 I58 L59 E63 D64 L65 Y346 F349	A57-A61 PolarHBondContact O-N 2.9Å; I58-A61 WeakPolarHBondContact O-CB 3.47Å; I58-A61 PolarHBondContact O-N 2.99Å; L59-A61 VanDerWaalsContact C-N 3.34Å; A61-E63 PolarHBondContact O-N 2.9Å; A61-D64 PolarHBondContact O-N 2.91Å; A61-L65 WeakPolarHBondContact O-CB 3.14Å; A61-L65 PolarHBondContact O-N 3.1Å; A61-Y346 HydrophobicContact CB-CD1 4.29Å; A61-Y346 HydrophobicContact CB-CD2 3.51Å; A61-Y346 HydrophobicContact CB-CE1 4.44Å; A61-Y346 HydrophobicContact CB-CE2 3.73Å; A61-Y346 HydrophobicContact CB-CG 3.81Å; A61-Y346 VanDerWaalsContact N-CE2 3.34Å; A61-F349 HydrophobicContact CB-CB 3.96Å; A61-F349 HydrophobicContact CB-CD1 3.65Å; A61-F349 HydrophobicContact CB-CE1 4.43Å; A61-F349 HydrophobicContact CB-CG 4.02Å
62	K	93.5	Very high	90.1	Very high	68 Å²	68	35.7 Å²	35.7	30%	0.296	19%	0.19	S	C	.	.	H	α-helix	trans	-59.8	-43.2	174.8	174.5	-178.2	165.3	179	0	112.5	I58 L59 M60 L65 I77 I79 F349	I58-K62 PolarHBondContact O-N 3.16Å; L59-K62 PolarHBondContact O-N 3.05Å; M60-K62 VanDerWaalsContact C-N 3.33Å; M60-K62 PolarHBondContact O-N 3.07Å; K62-L65 WeakPolarHBondContact O-CB 3.49Å; K62-L65 PolarHBondContact O-N 2.85Å; K62-I77 HydrophobicContact CD-CB 4.42Å; K62-I77 VanDerWaalsContact CE-O 3.23Å; K62-I77 WeakPolarHBondContact CE-O 3.25Å; K62-I77 PolarHBondContact NZ-O 3.06Å; K62-I79 HydrophobicContact CB-CD1 4.06Å; K62-I79 HydrophobicContact CD-CD1 3.56Å; K62-I79 HydrophobicContact CD-CG1 4.26Å; K62-I79 HydrophobicContact CG-CD1 4.36Å; K62-F349 HydrophobicContact CB-CE1 4.21Å; K62-F349 HydrophobicContact CB-CZ 4.2Å
63	E	91.4	Very high	89.5	Confident	109 Å²	109	40.3 Å²	40.3	51%	0.509	21%	0.214	S	C	.	.	H	α-helix	trans	-66.6	-41.5	178.9	-72.8	162.3	-169.8	0	0	111.8	L59 M60 A61 L65 R324	L59-E63 WeakPolarHBondContact O-CG 3.39Å; L59-E63 PolarHBondContact O-N 2.82Å; M60-E63 PolarHBondContact O-N 3.21Å; A61-E63 PolarHBondContact O-N 2.9Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.33Å; E63-R324 IonicContact OE1-CZ 3.98Å; E63-R324 VanDerWaalsContact OE1-CZ 3.31Å; E63-R324 IonicContact OE1-NH1 3.73Å; E63-R324 PolarHBondContact OE1-NH1 2.99Å; E63-R324 IonicContact OE1-NH2 2.98Å; E63-R324 PolarHBondContact OE1-NH2 2.86Å; E63-R324 IonicContact OE2-CZ 3.73Å; E63-R324 IonicContact OE2-NH1 2.8Å; E63-R324 PolarHBondContact OE2-NH1 2.67Å; E63-R324 IonicContact OE2-NH2 2.9Å
64	D	91.5	Very high	88.6	Confident	30 Å²	30	41 Å²	41	16%	0.16	23%	0.225	C	C	.	.	H	α-helix	trans	-73.6	-19.9	-179.7	-69.4	-21.5	0	0	0	112.5	M60 A61 H66 K68 H69 R320 Y346	M60-D64 WeakPolarHBondContact O-CB 3.23Å; M60-D64 VanDerWaalsContact O-CG 3.31Å; M60-D64 PolarHBondContact O-N 2.97Å; A61-D64 PolarHBondContact O-N 2.91Å; D64-H66 PolarHBondContact O-N 2.72Å; D64-K68 HydrophobicContact CB-CB 4.22Å; D64-K68 WeakPolarHBondContact O-CA 3.44Å; D64-K68 VanDerWaalsContact O-CB 3.26Å; D64-K68 WeakPolarHBondContact O-CB 3.42Å; D64-K68 PolarHBondContact O-N 2.77Å; D64-H69 PolarHBondContact O-CD2 3.47Å; D64-H69 PolarHBondContact O-N 2.94Å; D64-R320 IonicContact OD2-NH1 3.78Å; D64-Y346 VanDerWaalsContact CB-OH 3.24Å; D64-Y346 WeakPolarHBondContact CB-OH 3.24Å; D64-Y346 PolarHBondContact OD2-OH 3.34Å
65	L	88	Confident	88.1	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-49.2	-174.1	-161.1	147.2	0	0	0	113	A61 K62 E63 H69 N70 L71 L72 I77 F349 A353	A61-L65 WeakPolarHBondContact O-CB 3.14Å; A61-L65 PolarHBondContact O-N 3.1Å; K62-L65 WeakPolarHBondContact O-CB 3.49Å; K62-L65 PolarHBondContact O-N 2.85Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.33Å; L65-H69 CarbonylContact O-C 3.59Å; L65-N70 PolarHBondContact O-N 3.06Å; L65-N70 VanDerWaalsContact O-N 3.09Å; L65-L71 HydrophobicContact CD2-CB 3.86Å; L65-L71 WeakPolarHBondContact CD2-O 3.36Å; L65-L71 HydrophobicContact CG-CB 4.18Å; L65-L71 PolarHBondContact O-N 3.03Å; L65-L72 HydrophobicContact CD1-CD1 4.46Å; L65-L72 HydrophobicContact CD2-CB 3.92Å; L65-L72 HydrophobicContact CD2-CD1 4.26Å; L65-L72 HydrophobicContact CD2-CG 4.35Å; L65-I77 HydrophobicContact CD1-CD1 3.95Å; L65-I77 HydrophobicContact CD2-CD1 4.42Å; L65-F349 HydrophobicContact CD1-CD1 4.07Å; L65-F349 HydrophobicContact CD1-CE1 3.5Å; L65-F349 VanDerWaalsContact CD1-CE1 3.5Å; L65-F349 HydrophobicContact CD1-CZ 4.49Å; L65-A353 HydrophobicContact CD1-CB 3.53Å; L65-A353 HydrophobicContact CG-CB 4.3Å
66	H	81.6	Confident	87.7	Confident	80 Å²	80	45.4 Å²	45.4	37%	0.37	25%	0.247	S	C	.	.	H	α-helix	trans	-79.3	-41	178.2	-65.8	161.7	0	0	0	112.6	D64 N70 L71 L72	D64-H66 PolarHBondContact O-N 2.72Å; H66-N70 PolarHBondContact O-OD1 2.95Å; H66-L71 PolarHBondContact CD2-O 2.87Å; H66-L72 PolarHBondContact NE2-O 3.01Å
67	G	75.9	Confident	87.6	Confident	68 Å²	68	45.7 Å²	45.7	70%	0.701	25%	0.249	S	C	*	.	H	α-helix	trans	-82.3	-40.3	-171.1	0	0	0	0	0	114.3
68	K	80.3	Confident	87.5	Confident	113 Å²	113	48.6 Å²	48.6	49%	0.491	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-35.6	-173.3	-169.9	-179.9	178.5	-174.9	0	112.4	D64	D64-K68 HydrophobicContact CB-CB 4.22Å; D64-K68 WeakPolarHBondContact O-CA 3.44Å; D64-K68 VanDerWaalsContact O-CB 3.26Å; D64-K68 WeakPolarHBondContact O-CB 3.42Å; D64-K68 PolarHBondContact O-N 2.77Å
69	H	81.8	Confident	87.4	Confident	53 Å²	53	50.1 Å²	50.1	25%	0.245	27%	0.272	C	S	.	.	S	Bend	trans	-106.6	-14.5	-172.1	-64.1	-73.2	0	0	0	114.7	D64 L65 L71 L350	D64-H69 PolarHBondContact O-CD2 3.47Å; D64-H69 PolarHBondContact O-N 2.94Å; L65-H69 CarbonylContact O-C 3.59Å; H69-L71 HydrophobicContact CB-CD1 4.01Å; H69-L71 HydrophobicContact CB-CG 4.14Å; H69-L71 PolarHBondContact O-N 3.46Å; H69-L350 HydrophobicContact CB-CD1 4.17Å
70	N	84.6	Confident	87.4	Confident	111 Å²	111	51 Å²	51	59%	0.594	28%	0.277	S	S	*	.			trans	52.5	36.7	-177.4	-65.4	-35.4	0	0	0	113.8	L65 H66 L73	L65-N70 PolarHBondContact O-N 3.06Å; L65-N70 VanDerWaalsContact O-N 3.09Å; H66-N70 PolarHBondContact O-OD1 2.95Å; N70-L73 HydrophobicContact CB-CD1 4.44Å
71	L	87.8	Confident	87.4	Confident	25 Å²	25	54.9 Å²	54.9	13%	0.131	30%	0.297	C	S	.	.			trans	-98.8	155.6	178.3	-66.7	170.5	0	0	0	111	L65 H66 H69 L73 L350 A353 M354 E357	L65-L71 HydrophobicContact CD2-CB 3.86Å; L65-L71 WeakPolarHBondContact CD2-O 3.36Å; L65-L71 HydrophobicContact CG-CB 4.18Å; L65-L71 PolarHBondContact O-N 3.03Å; H66-L71 PolarHBondContact CD2-O 2.87Å; H69-L71 HydrophobicContact CB-CD1 4.01Å; H69-L71 HydrophobicContact CB-CG 4.14Å; H69-L71 PolarHBondContact O-N 3.46Å; L71-L73 PolarHBondContact O-N 3.31Å; L71-L350 HydrophobicContact CD1-CD1 3.57Å; L71-A353 HydrophobicContact CD1-CB 4.29Å; L71-M354 HydrophobicContact CD1-CE 4.27Å; L71-M354 HydrophobicContact CD1-CG 3.59Å; L71-M354 HydrophobicContact CD2-CG 4.32Å; L71-E357 HydrophobicContact CD2-CB 4.48Å; L71-E357 HydrophobicContact CD2-CG 4.4Å
72	L	86.1	Confident	87.3	Confident	2 Å²	2	57 Å²	57	1%	0.01	31%	0.305	C	S	.	.	S	Bend	trans	48.7	35.3	174.4	-57	172.8	0	0	0	114.2	I34 L65 H66 G74 H75 I77 A353 L356 E357 L360	I34-L72 HydrophobicContact CD1-CD1 3.97Å; I34-L72 HydrophobicContact CD1-CD2 4.45Å; L65-L72 HydrophobicContact CD1-CD1 4.46Å; L65-L72 HydrophobicContact CD2-CB 3.92Å; L65-L72 HydrophobicContact CD2-CD1 4.26Å; L65-L72 HydrophobicContact CD2-CG 4.35Å; H66-L72 PolarHBondContact NE2-O 3.01Å; L72-G74 PolarHBondContact O-N 2.89Å; L72-H75 HydrophobicContact CB-CB 4.36Å; L72-H75 PolarHBondContact O-N 2.93Å; L72-I77 HydrophobicContact CD1-CD1 4.23Å; L72-A353 HydrophobicContact CD1-CB 3.86Å; L72-A353 HydrophobicContact CG-CB 4.47Å; L72-L356 HydrophobicContact CD1-CD2 4.12Å; L72-L356 HydrophobicContact CD2-CB 4.32Å; L72-L356 HydrophobicContact CD2-CD2 3.97Å; L72-L356 HydrophobicContact CD2-CG 3.95Å; L72-E357 WeakPolarHBondContact CA-OE2 3.49Å; L72-E357 HydrophobicContact CD2-CB 4.26Å; L72-E357 WeakPolarHBondContact CD2-OE2 3.24Å; L72-E357 PolarHBondContact N-OE2 3.31Å; L72-L360 HydrophobicContact CD2-CD1 4.06Å
73	L	80.1	Confident	87.3	Confident	106 Å²	106	54.9 Å²	54.9	56%	0.555	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	107.3	-175.2	-72.9	174.4	0	0	0	110.3	N70 L71	N70-L73 HydrophobicContact CB-CD1 4.44Å; L71-L73 PolarHBondContact O-N 3.31Å
74	G	76.6	Confident	87.2	Confident	27 Å²	27	49.8 Å²	49.8	28%	0.278	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	112.6	-15.7	179.5	0	0	0	0	0	116.4	W31 L72	W31-G74 WeakPolarHBondContact CZ3-O 3.36Å; L72-G74 PolarHBondContact O-N 2.89Å
75	H	84	Confident	87	Confident	30 Å²	30	49.8 Å²	49.8	14%	0.139	27%	0.274	C	S	.	.			trans	-82.3	135.1	173.9	-67.9	-87.4	0	0	0	110.3	S32 I34 L72	S32-H75 PolarHBondContact O-ND1 3.44Å; S32-H75 VanDerWaalsContact O-ND1 3.13Å; I34-H75 HydrophobicContact CD1-CB 3.63Å; I34-H75 HydrophobicContact CG1-CB 4.31Å; L72-H75 HydrophobicContact CB-CB 4.36Å; L72-H75 PolarHBondContact O-N 2.93Å
76	N	88.6	Confident	86.7	Confident	76 Å²	76	52.5 Å²	52.5	41%	0.406	29%	0.289	S	S	.	.			trans	-89.9	127.2	170.9	-179.8	39	0	0	0	109.3	D33 I34 N78	D33-N76 WeakPolarHBondContact CA-O 3.39Å; I34-N76 PolarHBondContact N-O 3.1Å; N76-N78 PolarHBondContact ND2-OD1 2.82Å
77	I	92.3	Very high	86.5	Confident	7 Å²	7	54 Å²	54	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.6	-178.6	-54.2	173.2	0	0	0	109.8	I34 V36 K62 L65 L72 I79 F349	I34-I77 HydrophobicContact CB-CG1 4.36Å; I34-I77 HydrophobicContact CD1-CG1 4.38Å; I34-I77 CarbonylContact O-C 3.58Å; I34-I77 WeakPolarHBondContact O-CA 3.19Å; V36-I77 HydrophobicContact CG2-CG2 3.7Å; K62-I77 HydrophobicContact CD-CB 4.42Å; K62-I77 VanDerWaalsContact CE-O 3.23Å; K62-I77 WeakPolarHBondContact CE-O 3.25Å; K62-I77 PolarHBondContact NZ-O 3.06Å; L65-I77 HydrophobicContact CD1-CD1 3.95Å; L65-I77 HydrophobicContact CD2-CD1 4.42Å; L72-I77 HydrophobicContact CD1-CD1 4.23Å; I77-I79 HydrophobicContact CG2-CG1 4.25Å; I77-F349 HydrophobicContact CD1-CE1 4.44Å; I77-F349 HydrophobicContact CD1-CZ 4.17Å; I77-F349 HydrophobicContact CG2-CZ 4.18Å
78	N	93.7	Very high	86.3	Confident	60 Å²	60	55.3 Å²	55.3	32%	0.321	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.6	176.1	-66.1	-28.8	0	0	0	109.5	D33 I34 T35 V36 N76	D33-N78 PolarHBondContact OD2-ND2 3.17Å; I34-N78 PolarHBondContact O-N 2.75Å; T35-N78 WeakPolarHBondContact CA-O 3.4Å; V36-N78 PolarHBondContact N-O 2.96Å; N76-N78 PolarHBondContact ND2-OD1 2.82Å
79	I	95.2	Very high	85.8	Confident	33 Å²	33	53 Å²	53	17%	0.169	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.4	179.9	-61.2	170	0	0	0	108.7	V36 V38 L55 I58 L59 K62 I77	V36-I79 HydrophobicContact CB-CG1 4.19Å; V36-I79 WeakPolarHBondContact O-CA 3.38Å; V38-I79 HydrophobicContact CG2-CG2 3.75Å; L55-I79 HydrophobicContact CD1-CG2 4.16Å; I58-I79 HydrophobicContact CG2-CD1 3.97Å; L59-I79 HydrophobicContact CD2-CD1 3.93Å; K62-I79 HydrophobicContact CB-CD1 4.06Å; K62-I79 HydrophobicContact CD-CD1 3.56Å; K62-I79 HydrophobicContact CD-CG1 4.26Å; K62-I79 HydrophobicContact CG-CD1 4.36Å; I77-I79 HydrophobicContact CG2-CG1 4.25Å
80	L	94.6	Very high	85.6	Confident	63 Å²	63	51.5 Å²	51.5	33%	0.33	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133	177.1	-63.3	169.1	0	0	0	109	T35 V36 A37 V38 Y82 V108	T35-L80 HydrophobicContact CG2-CD1 3.97Å; V36-L80 PolarHBondContact O-N 3.14Å; A37-L80 CarbonylContact C-O 3.27Å; V38-L80 PolarHBondContact N-O 3.5Å; L80-Y82 HydrophobicContact CB-CE2 3.96Å; L80-V108 HydrophobicContact CD1-CB 4.35Å; L80-V108 HydrophobicContact CD1-CG1 3.2Å; L80-V108 HydrophobicContact CD1-CG2 4.25Å
81	N	93.6	Very high	85.7	Confident	84 Å²	84	47.6 Å²	47.6	45%	0.449	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.5	-177.9	59.7	-37.8	0	0	0	111.7	V38 L51 L55	V38-N81 CarbonylContact O-C 3.56Å; V38-N81 WeakPolarHBondContact O-CA 3.03Å; L51-N81 HydrophobicContact CD1-CB 4.11Å; L51-N81 HydrophobicContact CD2-CB 4.31Å; L55-N81 HydrophobicContact CD1-CB 4.44Å; L55-N81 HydrophobicContact CD2-CB 4.05Å
82	Y	92.9	Very high	85.6	Confident	49 Å²	49	47.2 Å²	47.2	19%	0.192	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.8	179.2	-59.3	-85.3	0	0	0	110	A37 V38 M39 L40 L80 L100 A104	A37-Y82 HydrophobicContact CB-CD2 4.48Å; A37-Y82 HydrophobicContact CB-CE2 4.11Å; V38-Y82 PolarHBondContact O-N 2.89Å; M39-Y82 WeakPolarHBondContact CA-O 3.49Å; M39-Y82 HydrophobicContact CG-CD2 4.3Å; L40-Y82 PolarHBondContact N-O 3.42Å; L40-Y82 VanDerWaalsContact N-O 3.1Å; L80-Y82 HydrophobicContact CB-CE2 3.96Å; Y82-L100 HydrophobicContact CD1-CD2 4.19Å; Y82-A104 HydrophobicContact CE2-CB 4.19Å
83	S	91.9	Very high	85.8	Confident	25 Å²	25	47.8 Å²	47.8	18%	0.175	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117	175.4	173.9	0	0	0	0	111.4	L40 D42 Q85 R96 L100	L40-S83 WeakPolarHBondContact O-CA 3.45Å; D42-S83 VanDerWaalsContact CG-OG 3.23Å; D42-S83 WeakPolarHBondContact OD2-CB 3.35Å; D42-S83 PolarHBondContact OD2-OG 2.87Å; S83-Q85 VanDerWaalsContact C-N 3.26Å; S83-Q85 PolarHBondContact OG-N 3.19Å; S83-R96 PolarHBondContact O-NE 3.44Å; S83-L100 WeakPolarHBondContact O-CD1 3.36Å
84	T	89.8	Confident	86.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	29%	0.286	C	S	.	.			trans	-84.9	2.6	176	58.1	0	0	0	0	113.5	M39 L40 A93 A97	M39-T84 HydrophobicContact CB-CG2 3.86Å; M39-T84 HydrophobicContact CE-CG2 4.35Å; L40-T84 PolarHBondContact O-N 3.2Å; L40-T84 VanDerWaalsContact O-N 3.1Å; T84-A93 PolarHBondContact O-N 3.08Å; T84-A97 HydrophobicContact CG2-CB 4.04Å
85	Q	87.3	Confident	87	Confident	31 Å²	31	48.7 Å²	48.7	15%	0.145	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-79.6	138.4	-178.8	-176.9	171.7	-27.1	0	0	111.7	P41 S83 P87 G90 S91 R96	P41-Q85 HydrophobicContact CB-CB 4.21Å; S83-Q85 VanDerWaalsContact C-N 3.26Å; S83-Q85 PolarHBondContact OG-N 3.19Å; Q85-P87 WeakPolarHBondContact O-CD 3.44Å; Q85-G90 PolarHBondContact NE2-O 2.71Å; Q85-S91 WeakPolarHBondContact CA-O 3.31Å; Q85-R96 WeakPolarHBondContact O-CD 3.43Å; Q85-R96 PolarHBondContact O-NE 3.2Å; Q85-R96 VanDerWaalsContact O-NE 3.09Å
86	D	83.1	Confident	87.3	Confident	59 Å²	59	51.8 Å²	51.8	32%	0.316	31%	0.309	S	S	.	.			trans	-72.9	120.8	168	-173.9	-14.9	0	0	0	109.7	A88 A89 G90 S91 A93	D86-A88 PolarHBondContact O-N 3.37Å; D86-A88 PolarHBondContact OD1-N 3.49Å; D86-A89 HydrophobicContact CB-CB 4.13Å; D86-A89 PolarHBondContact O-N 3.05Å; D86-G90 PolarHBondContact O-N 2.7Å; D86-S91 PolarHBondContact N-O 3.18Å; D86-A93 HydrophobicContact CB-CB 3.92Å
87	P	75.6	Confident	87.6	Confident	111 Å²	111	48.1 Å²	48.1	72%	0.721	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.6	176.8	-23.7	34.4	0	0	0	114.2	Q85	Q85-P87 WeakPolarHBondContact O-CD 3.44Å
88	A	72.1	Confident	87.7	Confident	96 Å²	96	51 Å²	51	79%	0.793	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-41	-178.9	0	0	0	0	0	112.7	D86	D86-A88 PolarHBondContact O-N 3.37Å; D86-A88 PolarHBondContact OD1-N 3.49Å
89	A	71.3	Confident	87.7	Confident	65 Å²	65	52.1 Å²	52.1	54%	0.537	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-20.2	-174.3	0	0	0	0	0	114.1	D86 S91	D86-A89 HydrophobicContact CB-CB 4.13Å; D86-A89 PolarHBondContact O-N 3.05Å; A89-S91 PolarHBondContact O-N 3.14Å
90	G	77.3	Confident	87.6	Confident	21 Å²	21	51.8 Å²	51.8	22%	0.216	31%	0.311	C	S	.	.	S	Bend	trans	73.6	5.7	-179.2	0	0	0	0	0	115.2	Q85 D86	Q85-G90 PolarHBondContact NE2-O 2.71Å; D86-G90 PolarHBondContact O-N 2.7Å
91	S	84.9	Confident	87.6	Confident	28 Å²	28	48.8 Å²	48.8	20%	0.196	30%	0.295	C	S	.	.	S	Bend	trans	-113.6	164.7	-179.5	58.9	0	0	0	0	111.8	Y47 Q85 D86 A89	Y47-S91 WeakPolarHBondContact OH-CA 3.32Å; Y47-S91 WeakPolarHBondContact OH-CB 3.07Å; Q85-S91 WeakPolarHBondContact CA-O 3.31Å; D86-S91 PolarHBondContact N-O 3.18Å; A89-S91 PolarHBondContact O-N 3.14Å
92	C	87.5	Confident	87.7	Confident	17 Å²	17	47 Å²	47	12%	0.115	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-69.3	131.3	175.5	53.3	0	0	0	0	111.1	P41 Y47 C118 P121	P41-C92 HydrophobicContact CB-CB 4.34Å; Y47-C92 PolarHBondContact OH-N 3.46Å; C92-C118 HydrophobicContact CB-CB 3.77Å; C92-C118 WeakPolarHBondContact CB-SG 3.41Å; C92-C118 WeakPolarHBondContact SG-CB 3.43Å; C92-C118 CovalentContact SG-SG 2.03Å; C92-C118 PolarHBondContact SG-SG 3.39Å; C92-P121 HydrophobicContact CB-CG 4.19Å
93	A	88.8	Confident	87.7	Confident	15 Å²	15	47.9 Å²	47.9	12%	0.124	30%	0.295	C	S	.	.			trans	-117	127.3	-174.3	0	0	0	0	0	112.3	T84 D86 R96 A97	T84-A93 PolarHBondContact O-N 3.08Å; D86-A93 HydrophobicContact CB-CB 3.92Å; A93-R96 HydrophobicContact CB-CB 4.03Å; A93-R96 PolarHBondContact O-N 3.35Å; A93-A97 PolarHBondContact O-N 3.14Å; A93-A97 VanDerWaalsContact O-N 3.08Å
94	E	91.4	Very high	87.8	Confident	72 Å²	72	46.7 Å²	46.7	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-49.4	-179.8	-178.5	177.5	-165.6	0	0	111.9	R96 A97 Q98 S124	E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 3.23Å; E94-A97 PolarHBondContact O-N 3.48Å; E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 3.45Å; E94-S124 PolarHBondContact OE1-OG 2.98Å
95	S	90.9	Very high	88	Confident	80 Å²	80	49.1 Å²	49.1	56%	0.559	30%	0.297	S	S	*	.	H	α-helix	trans	-58.8	-40.7	-179.4	56.6	0	0	0	0	112.4	Q98 V99	S95-Q98 PolarHBondContact O-N 3.38Å; S95-V99 WeakPolarHBondContact O-CG2 3.34Å; S95-V99 PolarHBondContact O-N 3.33Å
96	R	91.4	Very high	88.2	Confident	94 Å²	94	52.6 Å²	52.6	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-67	-45.1	177.3	-173.9	178.8	174.9	84.6	-1	111.5	S83 Q85 A93 E94 Q98 V99 L100	S83-R96 PolarHBondContact O-NE 3.44Å; Q85-R96 WeakPolarHBondContact O-CD 3.43Å; Q85-R96 PolarHBondContact O-NE 3.2Å; Q85-R96 VanDerWaalsContact O-NE 3.09Å; A93-R96 HydrophobicContact CB-CB 4.03Å; A93-R96 PolarHBondContact O-N 3.35Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 3.23Å; R96-Q98 VanDerWaalsContact C-N 3.3Å; R96-Q98 PolarHBondContact O-N 2.82Å; R96-V99 PolarHBondContact O-N 3.17Å; R96-L100 HydrophobicContact CG-CD1 3.85Å; R96-L100 HydrophobicContact CG-CG 4.34Å; R96-L100 WeakPolarHBondContact O-CB 3.28Å; R96-L100 VanDerWaalsContact O-CG 3.28Å; R96-L100 WeakPolarHBondContact O-CG 3.24Å; R96-L100 PolarHBondContact O-N 3.43Å
97	A	93.6	Very high	88.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-37.7	178.1	0	0	0	0	0	112.2	M39 T84 A93 E94 A101 P116 P121 V125	M39-A97 WeakPolarHBondContact CE-O 3.36Å; T84-A97 HydrophobicContact CG2-CB 4.04Å; A93-A97 PolarHBondContact O-N 3.14Å; A93-A97 VanDerWaalsContact O-N 3.08Å; E94-A97 PolarHBondContact O-N 3.48Å; A97-A101 WeakPolarHBondContact O-CB 3.48Å; A97-A101 PolarHBondContact O-N 3.04Å; A97-P116 HydrophobicContact CB-CG 4.44Å; A97-P121 HydrophobicContact CB-CB 3.67Å; A97-P121 HydrophobicContact CB-CG 4.47Å; A97-V125 HydrophobicContact CB-CG2 4.04Å
98	Q	94.3	Very high	89.2	Confident	66 Å²	66	55.3 Å²	55.3	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-51.9	173.6	-71	172.5	-10	0	0	111.7	E94 S95 R96 L100 A101 V102 S124 F128	E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 3.45Å; S95-Q98 PolarHBondContact O-N 3.38Å; R96-Q98 VanDerWaalsContact C-N 3.3Å; R96-Q98 PolarHBondContact O-N 2.82Å; Q98-L100 PolarHBondContact O-N 2.89Å; Q98-A101 PolarHBondContact O-N 3.03Å; Q98-V102 WeakPolarHBondContact O-CG2 3.34Å; Q98-V102 PolarHBondContact O-N 3.29Å; Q98-V102 VanDerWaalsContact O-N 3.07Å; Q98-S124 PolarHBondContact NE2-OG 3.45Å; Q98-F128 HydrophobicContact CB-CE2 4.12Å; Q98-F128 HydrophobicContact CG-CE2 4.05Å
99	V	93.4	Very high	90.2	Very high	84 Å²	84	56.7 Å²	56.7	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-47.2	-179.8	174.4	0	0	0	0	110.6	S95 R96 A101 V102 D103	S95-V99 WeakPolarHBondContact O-CG2 3.34Å; S95-V99 PolarHBondContact O-N 3.33Å; R96-V99 PolarHBondContact O-N 3.17Å; V99-A101 VanDerWaalsContact C-N 3.34Å; V99-A101 PolarHBondContact O-N 3.32Å; V99-V102 PolarHBondContact O-N 2.92Å; V99-D103 WeakPolarHBondContact O-CB 3.45Å; V99-D103 PolarHBondContact O-N 3.3Å
100	L	93.6	Very high	91.3	Very high	27 Å²	27	53.7 Å²	53.7	14%	0.141	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-38.3	179.8	-69.2	170.6	0	0	0	112.7	M39 Y82 S83 R96 Q98 A104	M39-L100 HydrophobicContact CE-CB 3.55Å; Y82-L100 HydrophobicContact CD1-CD2 4.19Å; S83-L100 WeakPolarHBondContact O-CD1 3.36Å; R96-L100 HydrophobicContact CG-CD1 3.85Å; R96-L100 HydrophobicContact CG-CG 4.34Å; R96-L100 WeakPolarHBondContact O-CB 3.28Å; R96-L100 VanDerWaalsContact O-CG 3.28Å; R96-L100 WeakPolarHBondContact O-CG 3.24Å; R96-L100 PolarHBondContact O-N 3.43Å; Q98-L100 PolarHBondContact O-N 2.89Å; L100-A104 VanDerWaalsContact O-CB 3.23Å; L100-A104 WeakPolarHBondContact O-CB 3.43Å; L100-A104 PolarHBondContact O-N 3.36Å
101	A	95.1	Very high	92.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-41.2	177.9	0	0	0	0	0	111.3	M39 A97 Q98 V99 K105 V125	M39-A101 HydrophobicContact CE-CB 3.96Å; M39-A101 HydrophobicContact SD-CB 4.16Å; A97-A101 WeakPolarHBondContact O-CB 3.48Å; A97-A101 PolarHBondContact O-N 3.04Å; Q98-A101 PolarHBondContact O-N 3.03Å; V99-A101 VanDerWaalsContact C-N 3.34Å; V99-A101 PolarHBondContact O-N 3.32Å; A101-K105 WeakPolarHBondContact O-CB 3.36Å; A101-K105 PolarHBondContact O-N 2.64Å; A101-V125 HydrophobicContact CB-CB 4.47Å; A101-V125 HydrophobicContact CB-CG1 3.9Å; A101-V125 HydrophobicContact CB-CG2 3.9Å
102	V	95.7	Very high	92.7	Very high	46 Å²	46	52 Å²	52	28%	0.279	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-45.8	176.4	174.2	0	0	0	0	111	Q98 V99 K105 L106 F128 W132	Q98-V102 WeakPolarHBondContact O-CG2 3.34Å; Q98-V102 PolarHBondContact O-N 3.29Å; Q98-V102 VanDerWaalsContact O-N 3.07Å; V99-V102 PolarHBondContact O-N 2.92Å; V102-K105 PolarHBondContact O-N 2.8Å; V102-K105 VanDerWaalsContact O-N 3.16Å; V102-L106 HydrophobicContact CG1-CD1 3.78Å; V102-L106 HydrophobicContact CG1-CG 4.28Å; V102-L106 WeakPolarHBondContact O-CB 3.48Å; V102-L106 WeakPolarHBondContact O-CG 3.38Å; V102-L106 PolarHBondContact O-N 3.39Å; V102-F128 HydrophobicContact CG2-CE2 4.31Å; V102-F128 HydrophobicContact CG2-CZ 4.28Å; V102-W132 HydrophobicContact CG2-CH2 3.99Å; V102-W132 HydrophobicContact CG2-CZ2 4.23Å
103	D	93.3	Very high	93.1	Very high	67 Å²	67	51.2 Å²	51.2	36%	0.358	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-46.3	177.5	-77.1	-16.9	0	0	0	111.4	V99 K105 L106 Y107	V99-D103 WeakPolarHBondContact O-CB 3.45Å; V99-D103 PolarHBondContact O-N 3.3Å; D103-K105 VanDerWaalsContact C-N 3.29Å; D103-K105 PolarHBondContact O-N 3.03Å; D103-L106 PolarHBondContact O-N 3.28Å; D103-Y107 HydrophobicContact CB-CD2 4.24Å; D103-Y107 HydrophobicContact CB-CE2 4.5Å; D103-Y107 VanDerWaalsContact O-CD2 3.25Å; D103-Y107 WeakPolarHBondContact O-CD2 3.34Å; D103-Y107 PolarHBondContact O-N 3.5Å
104	A	93.3	Very high	93.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	I	π-helix	trans	-58.1	-44.5	174.1	0	0	0	0	0	110.6	Y82 L100 L106 V108 H109 P110 F113	Y82-A104 HydrophobicContact CE2-CB 4.19Å; L100-A104 VanDerWaalsContact O-CB 3.23Å; L100-A104 WeakPolarHBondContact O-CB 3.43Å; L100-A104 PolarHBondContact O-N 3.36Å; A104-L106 VanDerWaalsContact C-N 3.35Å; A104-L106 PolarHBondContact O-N 2.89Å; A104-V108 WeakPolarHBondContact O-CA 3.42Å; A104-V108 VanDerWaalsContact O-CB 3.32Å; A104-V108 WeakPolarHBondContact O-CB 3.2Å; A104-V108 PolarHBondContact O-N 3.26Å; A104-H109 PolarHBondContact O-N 3.43Å; A104-P110 HydrophobicContact CB-CG 4.47Å; A104-P110 WeakPolarHBondContact O-CD 3.23Å; A104-F113 HydrophobicContact CB-CE1 4.19Å; A104-F113 HydrophobicContact CB-CZ 4.48Å
105	K	93.4	Very high	93.7	Very high	52 Å²	52	47 Å²	47	23%	0.226	24%	0.235	C	C	.	.	I	π-helix	trans	-63.8	-38.3	178.7	-175	60.4	-179.5	177.1	0	113.2	A101 V102 D103 H109 W132 L134	A101-K105 WeakPolarHBondContact O-CB 3.36Å; A101-K105 PolarHBondContact O-N 2.64Å; V102-K105 PolarHBondContact O-N 2.8Å; V102-K105 VanDerWaalsContact O-N 3.16Å; D103-K105 VanDerWaalsContact C-N 3.29Å; D103-K105 PolarHBondContact O-N 3.03Å; K105-H109 PolarHBondContact O-CE1 3.08Å; K105-H109 PolarHBondContact O-ND1 2.87Å; K105-W132 HydrophobicContact CB-CD2 4.36Å; K105-W132 HydrophobicContact CB-CE3 4Å; K105-W132 HydrophobicContact CB-CH2 3.72Å; K105-W132 HydrophobicContact CB-CZ2 4.1Å; K105-W132 HydrophobicContact CB-CZ3 3.65Å; K105-W132 HydrophobicContact CD-CD2 4.11Å; K105-W132 HydrophobicContact CD-CE3 4.05Å; K105-W132 HydrophobicContact CD-CG 4.37Å; K105-W132 HydrophobicContact CG-CD2 3.74Å; K105-W132 HydrophobicContact CG-CE3 3.81Å; K105-W132 HydrophobicContact CG-CG 4.31Å; K105-W132 HydrophobicContact CG-CH2 4.11Å; K105-W132 HydrophobicContact CG-CZ2 4.06Å; K105-W132 HydrophobicContact CG-CZ3 3.98Å; K105-L134 HydrophobicContact CD-CD1 3.83Å
106	L	91.8	Very high	93.9	Very high	104 Å²	104	43.2 Å²	43.2	55%	0.545	21%	0.209	S	C	.	.	I	π-helix	trans	-78.8	-41.9	-176.1	-72.7	175.3	0	0	0	113.4	V102 D103 A104 H109	V102-L106 HydrophobicContact CG1-CD1 3.78Å; V102-L106 HydrophobicContact CG1-CG 4.28Å; V102-L106 WeakPolarHBondContact O-CB 3.48Å; V102-L106 WeakPolarHBondContact O-CG 3.38Å; V102-L106 PolarHBondContact O-N 3.39Å; D103-L106 PolarHBondContact O-N 3.28Å; A104-L106 VanDerWaalsContact C-N 3.35Å; A104-L106 PolarHBondContact O-N 2.89Å; L106-H109 PolarHBondContact O-CE1 3.33Å
107	Y	91.4	Very high	94	Very high	180 Å²	180	38.8 Å²	38.8	71%	0.706	19%	0.192	S	C	*	.	I	π-helix	trans	-102.3	-28.3	-170.6	-62.1	-68.8	0	0	0	114	D103	D103-Y107 HydrophobicContact CB-CD2 4.24Å; D103-Y107 HydrophobicContact CB-CE2 4.5Å; D103-Y107 VanDerWaalsContact O-CD2 3.25Å; D103-Y107 WeakPolarHBondContact O-CD2 3.34Å; D103-Y107 PolarHBondContact O-N 3.5Å
108	V	89.6	Confident	94	Very high	48 Å²	48	38.8 Å²	38.8	29%	0.291	19%	0.192	S	C	.	.	I	π-helix	trans	-109.8	-29.1	-172.1	170.5	0	0	0	0	112.1	T35 L80 A104	T35-V108 HydrophobicContact CG2-CG1 3.76Å; L80-V108 HydrophobicContact CD1-CB 4.35Å; L80-V108 HydrophobicContact CD1-CG1 3.2Å; L80-V108 HydrophobicContact CD1-CG2 4.25Å; A104-V108 WeakPolarHBondContact O-CA 3.42Å; A104-V108 VanDerWaalsContact O-CB 3.32Å; A104-V108 WeakPolarHBondContact O-CB 3.2Å; A104-V108 PolarHBondContact O-N 3.26Å
109	H	91.7	Very high	94.1	Very high	124 Å²	124	36.1 Å²	36.1	57%	0.574	18%	0.18	S	C	*	.			trans	53.9	60.8	-177.4	-56.4	-50.4	0	0	0	113.4	A104 K105 L106	A104-H109 PolarHBondContact O-N 3.43Å; K105-H109 PolarHBondContact O-CE1 3.08Å; K105-H109 PolarHBondContact O-ND1 2.87Å; L106-H109 PolarHBondContact O-CE1 3.33Å
110	P	94.8	Very high	94.1	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.013	17%	0.171	C	C	.	.			trans	-64.5	147.5	178.9	29.6	-35.9	0	0	0	112	T35 A37 A104 F113 L134	T35-P110 HydrophobicContact CG2-CB 4.46Å; A37-P110 HydrophobicContact CB-CB 3.75Å; A37-P110 HydrophobicContact CB-CG 4.1Å; A104-P110 HydrophobicContact CB-CG 4.47Å; A104-P110 WeakPolarHBondContact O-CD 3.23Å; P110-F113 HydrophobicContact CG-CE1 3.93Å; P110-F113 HydrophobicContact CG-CE2 4.13Å; P110-F113 HydrophobicContact CG-CZ 3.63Å; P110-L134 WeakPolarHBondContact O-CD2 3.45Å
111	D	95.1	Very high	94.1	Very high	14 Å²	14	34.9 Å²	34.9	8%	0.075	17%	0.165	C	C	.	.	S	Bend	trans	-84.1	-27	173.9	-60.1	-71.5	0	0	0	111.6	I34 T35 P135 Q366	I34-D111 WeakPolarHBondContact CA-OD2 3.13Å; I34-D111 HydrophobicContact CG2-CB 4.41Å; T35-D111 PolarHBondContact N-OD2 3.07Å; T35-D111 PolarHBondContact O-N 3.37Å; D111-P135 VanDerWaalsContact O-CD 3.27Å; D111-P135 WeakPolarHBondContact O-CD 3.47Å; D111-Q366 PolarHBondContact OD1-NE2 3.48Å; D111-Q366 PolarHBondContact OD2-NE2 3.35Å
112	V	96.1	Very high	94.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.2	179.4	58.7	0	0	0	0	111.9	T35 V36 A37 F114 P135 I137 Y352	T35-V112 PolarHBondContact O-N 2.75Å; V36-V112 HydrophobicContact CB-CG1 4.18Å; V36-V112 HydrophobicContact CG1-CG1 4.11Å; V36-V112 HydrophobicContact CG2-CG1 3.73Å; A37-V112 PolarHBondContact N-O 3.08Å; V112-F114 HydrophobicContact CG1-CD2 4.28Å; V112-F114 HydrophobicContact CG1-CE2 4Å; V112-F114 HydrophobicContact CG2-CD2 3.98Å; V112-F114 HydrophobicContact CG2-CE2 3.69Å; V112-P135 HydrophobicContact CG2-CB 4.07Å; V112-I137 HydrophobicContact CG2-CD1 4.26Å; V112-I137 HydrophobicContact CG2-CG1 4.37Å; V112-Y352 HydrophobicContact CB-CD2 4.37Å; V112-Y352 HydrophobicContact CB-CE1 4.24Å; V112-Y352 HydrophobicContact CB-CE2 3.73Å; V112-Y352 HydrophobicContact CG1-CD1 4.22Å; V112-Y352 HydrophobicContact CG1-CE1 3.61Å; V112-Y352 HydrophobicContact CG1-CE2 4.05Å; V112-Y352 HydrophobicContact CG2-CD2 4.03Å; V112-Y352 HydrophobicContact CG2-CE2 3.87Å; V112-Y352 HydrophobicContact CG2-CG 4.49Å
113	F	97.3	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.9	169.7	-73.6	-73.6	0	0	0	111.5	A37 M39 A104 P110 A129 W132 L134 P135 L136 I137	A37-F113 HydrophobicContact CB-CD1 3.66Å; A37-F113 HydrophobicContact CB-CE1 3.74Å; A37-F113 CarbonylContact O-C 3.53Å; A37-F113 WeakPolarHBondContact O-CA 3.39Å; M39-F113 HydrophobicContact CG-CD1 4.3Å; M39-F113 HydrophobicContact SD-CD1 3.61Å; M39-F113 HydrophobicContact SD-CE1 3.68Å; A104-F113 HydrophobicContact CB-CE1 4.19Å; A104-F113 HydrophobicContact CB-CZ 4.48Å; P110-F113 HydrophobicContact CG-CE1 3.93Å; P110-F113 HydrophobicContact CG-CE2 4.13Å; P110-F113 HydrophobicContact CG-CZ 3.63Å; F113-A129 HydrophobicContact CD2-CB 4.47Å; F113-W132 HydrophobicContact CE2-CE3 4.23Å; F113-W132 HydrophobicContact CE2-CZ3 4.18Å; F113-W132 HydrophobicContact CZ-CZ3 4.31Å; F113-L134 HydrophobicContact CD2-CD1 4.21Å; F113-L134 HydrophobicContact CE2-CD1 3.67Å; F113-P135 PolarHBondContact N-O 3.38Å; F113-L136 HydrophobicContact CB-CB 4.39Å; F113-L136 HydrophobicContact CB-CD1 4.26Å; F113-L136 HydrophobicContact CB-CG 4.01Å; F113-L136 WeakPolarHBondContact O-CA 3.37Å; F113-I137 PolarHBondContact O-N 3.19Å
114	F	97.3	Very high	94.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.6	169.8	-87.2	-104.2	0	0	0	109.8	V36 A37 V38 M39 I58 V112 I137 F345 F349	V36-F114 HydrophobicContact CG1-CD2 3.53Å; V36-F114 HydrophobicContact CG1-CE2 4.02Å; V36-F114 HydrophobicContact CG1-CG 4.3Å; A37-F114 PolarHBondContact O-N 2.84Å; V38-F114 CarbonylContact C-O 3.06Å; V38-F114 WeakPolarHBondContact CA-O 3.28Å; V38-F114 HydrophobicContact CB-CB 4.49Å; V38-F114 HydrophobicContact CG2-CB 4.08Å; M39-F114 PolarHBondContact N-O 3.42Å; I58-F114 HydrophobicContact CD1-CB 4.28Å; I58-F114 HydrophobicContact CD1-CD1 4.1Å; I58-F114 HydrophobicContact CD1-CG 4.42Å; V112-F114 HydrophobicContact CG1-CD2 4.28Å; V112-F114 HydrophobicContact CG1-CE2 4Å; V112-F114 HydrophobicContact CG2-CD2 3.98Å; V112-F114 HydrophobicContact CG2-CE2 3.69Å; F114-I137 CarbonylContact C-O 3.52Å; F114-I137 VanDerWaalsContact CA-O 3.27Å; F114-I137 WeakPolarHBondContact CA-O 3.27Å; F114-I137 HydrophobicContact CD1-CB 4.33Å; F114-I137 HydrophobicContact CD1-CG2 4.41Å; F114-I137 HydrophobicContact CE1-CB 4Å; F114-I137 HydrophobicContact CE1-CG2 3.86Å; F114-I137 HydrophobicContact CE2-CB 4.35Å; F114-I137 HydrophobicContact CE2-CD1 4.16Å; F114-I137 HydrophobicContact CZ-CB 4Å; F114-I137 HydrophobicContact CZ-CD1 3.8Å; F114-I137 HydrophobicContact CZ-CG1 4.42Å; F114-I137 HydrophobicContact CZ-CG2 4.17Å; F114-F345 HydrophobicContact CD1-CD1 4.09Å; F114-F349 HydrophobicContact CE1-CB 3.9Å; F114-F349 AromaticContact CE1-CD2 3.99Å; F114-F349 HydrophobicContact CE1-CD2 3.99Å; F114-F349 HydrophobicContact CE1-CG 4.45Å; F114-F349 HydrophobicContact CE2-CD2 4.04Å; F114-F349 HydrophobicContact CZ-CB 4.02Å; F114-F349 AromaticContact CZ-CD2 3.66Å; F114-F349 HydrophobicContact CZ-CD2 3.66Å; F114-F349 HydrophobicContact CZ-CG 4.23Å
115	G	94.6	Very high	94.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.143	C	C	.	.			trans	81	-176	-164.6	0	0	0	0	0	112.4	I137	G115-I137 PolarHBondContact N-O 3.16Å
116	P	96.1	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.			cis	-64.9	158.2	3.5	-22.9	34.8	0	0	0	115.8	M39 A97 P121 L122 V125 T138	M39-P116 HydrophobicContact CB-CG 4.48Å; M39-P116 VanDerWaalsContact O-CA 3.28Å; M39-P116 WeakPolarHBondContact O-CA 3.45Å; A97-P116 HydrophobicContact CB-CG 4.44Å; P116-P121 HydrophobicContact CB-CB 3.7Å; P116-P121 HydrophobicContact CG-CB 3.96Å; P116-L122 HydrophobicContact CB-CB 4.31Å; P116-V125 HydrophobicContact CG-CB 4.03Å; P116-V125 HydrophobicContact CG-CG1 4.5Å; P116-V125 HydrophobicContact CG-CG2 3.77Å; P116-T138 PolarHBondContact O-OG1 3.13Å
117	G	92.1	Very high	94.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.126	C	C	.	.			trans	-94	-23.3	175.6	0	0	0	0	0	114.5	W49 G140 G141	W49-G117 VanDerWaalsContact CE2-O 3.24Å; W49-G117 WeakPolarHBondContact CZ2-O 3.37Å; W49-G117 VanDerWaalsContact NE1-C 3.33Å; G117-G140 CarbonylContact O-C 3.45Å; G117-G140 WeakPolarHBondContact O-CA 3.37Å; G117-G141 PolarHBondContact O-N 3.17Å
118	C	94.6	Very high	95	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	11%	0.106	C	C	.	.	S	Bend	trans	-80.5	147.2	174.3	-73.4	0	0	0	0	111.6	Y47 W49 C92 P121 L122 D193	Y47-C118 WeakPolarHBondContact CE1-SG 3.3Å; W49-C118 PolarHBondContact NE1-SG 2.81Å; C92-C118 HydrophobicContact CB-CB 3.77Å; C92-C118 WeakPolarHBondContact CB-SG 3.41Å; C92-C118 WeakPolarHBondContact SG-CB 3.43Å; C92-C118 CovalentContact SG-SG 2.03Å; C92-C118 PolarHBondContact SG-SG 3.39Å; C118-P121 HydrophobicContact CB-CB 4.5Å; C118-P121 HydrophobicContact CB-CG 3.84Å; C118-L122 WeakPolarHBondContact O-CB 3.27Å; C118-L122 PolarHBondContact O-N 3.06Å; C118-D193 WeakPolarHBondContact CA-OD2 3.41Å; C118-D193 HydrophobicContact CB-CB 4.49Å; C118-D193 WeakPolarHBondContact CB-OD1 3.3Å; C118-D193 WeakPolarHBondContact CB-OD2 3.44Å
119	V	94.9	Very high	95.3	Very high	10 Å²	10	20.6 Å²	20.6	6%	0.061	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-48.7	-174.4	177.2	0	0	0	0	111.9	L122 A123 A143 F146 D193 F198	V119-L122 PolarHBondContact O-N 3.15Å; V119-A123 PolarHBondContact O-N 3.23Å; V119-A143 HydrophobicContact CG1-CB 3.67Å; V119-A143 HydrophobicContact CG2-CB 4.03Å; V119-F146 HydrophobicContact CG1-CE2 4.01Å; V119-F146 HydrophobicContact CG1-CZ 4.18Å; V119-D193 PolarHBondContact N-OD1 3.44Å; V119-D193 PolarHBondContact N-OD2 2.87Å; V119-F198 HydrophobicContact CB-CD2 4.11Å; V119-F198 HydrophobicContact CB-CE2 3.71Å; V119-F198 HydrophobicContact CB-CZ 4.06Å; V119-F198 HydrophobicContact CG1-CD1 4.39Å; V119-F198 HydrophobicContact CG1-CD2 4.22Å; V119-F198 HydrophobicContact CG1-CE1 3.86Å; V119-F198 HydrophobicContact CG1-CE2 3.66Å; V119-F198 HydrophobicContact CG1-CZ 3.46Å; V119-F198 VanDerWaalsContact CG1-CZ 3.46Å; V119-F198 HydrophobicContact CG2-CD2 3.72Å; V119-F198 HydrophobicContact CG2-CE2 3.88Å; V119-F198 HydrophobicContact CG2-CG 4.19Å; V119-F198 HydrophobicContact CG2-CZ 4.47Å
120	Y	93.9	Very high	95.4	Very high	83 Å²	83	15.5 Å²	15.5	33%	0.325	7%	0.071	S	C	.	.	H	α-helix	trans	-66.8	-52.4	-175.7	-66.4	-72.9	0	0	0	113.1	L122 A123 D193 R194 F198	Y120-L122 VanDerWaalsContact C-N 3.29Å; Y120-L122 PolarHBondContact O-N 3.33Å; Y120-A123 PolarHBondContact O-N 3.34Å; Y120-D193 PolarHBondContact N-OD1 2.86Å; Y120-R194 HydrophobicContact CE2-CG 4.5Å; Y120-R194 WeakPolarHBondContact OH-CD 3.44Å; Y120-R194 PolarHBondContact OH-NH1 2.67Å; Y120-F198 HydrophobicContact CE2-CE2 4.19Å; Y120-F198 HydrophobicContact CE2-CZ 4.43Å
121	P	94.7	Very high	95.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-53.1	-42.6	169.4	-31.2	38.1	0	0	0	114.2	C92 A97 P116 C118 S124 V125	C92-P121 HydrophobicContact CB-CG 4.19Å; A97-P121 HydrophobicContact CB-CB 3.67Å; A97-P121 HydrophobicContact CB-CG 4.47Å; P116-P121 HydrophobicContact CB-CB 3.7Å; P116-P121 HydrophobicContact CG-CB 3.96Å; C118-P121 HydrophobicContact CB-CB 4.5Å; C118-P121 HydrophobicContact CB-CG 3.84Å; P121-S124 PolarHBondContact O-N 3.46Å; P121-V125 WeakPolarHBondContact O-CG2 3.22Å; P121-V125 PolarHBondContact O-N 3.13Å
122	L	95.9	Very high	95.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.4	-42.6	-177.6	177	62.7	0	0	0	111.9	P116 C118 V119 Y120 S124 V125 A126 L136 T138 F146 I155	P116-L122 HydrophobicContact CB-CB 4.31Å; C118-L122 WeakPolarHBondContact O-CB 3.27Å; C118-L122 PolarHBondContact O-N 3.06Å; V119-L122 PolarHBondContact O-N 3.15Å; Y120-L122 VanDerWaalsContact C-N 3.29Å; Y120-L122 PolarHBondContact O-N 3.33Å; L122-S124 VanDerWaalsContact C-N 3.26Å; L122-S124 PolarHBondContact O-N 2.96Å; L122-V125 PolarHBondContact O-N 2.98Å; L122-A126 HydrophobicContact CD1-CB 4.22Å; L122-A126 WeakPolarHBondContact O-CB 3.33Å; L122-A126 PolarHBondContact O-N 2.69Å; L122-L136 HydrophobicContact CD1-CD1 4.11Å; L122-L136 HydrophobicContact CD1-CD2 3.43Å; L122-L136 VanDerWaalsContact CD1-CD2 3.43Å; L122-L136 HydrophobicContact CD1-CG 4.46Å; L122-T138 HydrophobicContact CD1-CG2 4.09Å; L122-T138 HydrophobicContact CD2-CG2 3.77Å; L122-F146 HydrophobicContact CB-CE1 4.47Å; L122-F146 HydrophobicContact CB-CZ 3.96Å; L122-F146 HydrophobicContact CD2-CD2 4.27Å; L122-F146 HydrophobicContact CD2-CE1 4.04Å; L122-F146 HydrophobicContact CD2-CE2 3.71Å; L122-F146 HydrophobicContact CD2-CZ 3.59Å; L122-F146 HydrophobicContact CG-CE1 3.86Å; L122-F146 HydrophobicContact CG-CE2 4.32Å; L122-F146 HydrophobicContact CG-CZ 3.68Å; L122-I155 HydrophobicContact CD1-CD1 4.1Å; L122-I155 HydrophobicContact CD2-CD1 4.13Å; L122-I155 HydrophobicContact CG-CD1 4.27Å
123	A	95.9	Very high	95.3	Very high	14 Å²	14	30.6 Å²	30.6	12%	0.116	14%	0.136	C	C	.	.	H	α-helix	trans	-53.3	-45.2	176.9	0	0	0	0	0	112.2	V119 Y120 R127 F146	V119-A123 PolarHBondContact O-N 3.23Å; Y120-A123 PolarHBondContact O-N 3.34Å; A123-R127 WeakPolarHBondContact O-CD 3.35Å; A123-R127 VanDerWaalsContact O-CG 3.29Å; A123-R127 WeakPolarHBondContact O-CG 3.42Å; A123-R127 PolarHBondContact O-N 2.78Å; A123-F146 HydrophobicContact CB-CE1 4.18Å; A123-F146 HydrophobicContact CB-CZ 4.27Å
124	S	95.4	Very high	95.2	Very high	8 Å²	8	30.8 Å²	30.8	6%	0.056	14%	0.137	C	C	.	.	H	α-helix	trans	-70	-48.6	178.2	-85.2	0	0	0	0	113.3	E94 Q98 P121 L122 A126 R127 F128	E94-S124 PolarHBondContact OE1-OG 2.98Å; Q98-S124 PolarHBondContact NE2-OG 3.45Å; P121-S124 PolarHBondContact O-N 3.46Å; L122-S124 VanDerWaalsContact C-N 3.26Å; L122-S124 PolarHBondContact O-N 2.96Å; S124-A126 PolarHBondContact O-N 2.82Å; S124-R127 PolarHBondContact O-N 3.45Å; S124-F128 VanDerWaalsContact O-CD2 3.3Å; S124-F128 WeakPolarHBondContact O-CD2 3.31Å; S124-F128 PolarHBondContact O-N 3.01Å
125	V	96.3	Very high	95.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.6	-35.1	-177.8	-179.3	0	0	0	0	111.8	M39 A97 A101 P116 P121 L122 R127 F128 A129 L136	M39-V125 HydrophobicContact CE-CG2 4.5Å; M39-V125 HydrophobicContact SD-CG1 4.34Å; A97-V125 HydrophobicContact CB-CG2 4.04Å; A101-V125 HydrophobicContact CB-CB 4.47Å; A101-V125 HydrophobicContact CB-CG1 3.9Å; A101-V125 HydrophobicContact CB-CG2 3.9Å; P116-V125 HydrophobicContact CG-CB 4.03Å; P116-V125 HydrophobicContact CG-CG1 4.5Å; P116-V125 HydrophobicContact CG-CG2 3.77Å; P121-V125 WeakPolarHBondContact O-CG2 3.22Å; P121-V125 PolarHBondContact O-N 3.13Å; L122-V125 PolarHBondContact O-N 2.98Å; V125-R127 PolarHBondContact O-N 3.06Å; V125-F128 WeakPolarHBondContact O-CB 3.27Å; V125-F128 PolarHBondContact O-N 3.44Å; V125-A129 WeakPolarHBondContact O-CB 3.39Å; V125-A129 PolarHBondContact O-N 2.99Å; V125-L136 HydrophobicContact CB-CD1 4.35Å; V125-L136 HydrophobicContact CG1-CD1 3.78Å
126	A	96.3	Very high	95.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.6	-32.5	178.5	0	0	0	0	0	113.1	L122 S124 S130 L136 Y152 I155	L122-A126 HydrophobicContact CD1-CB 4.22Å; L122-A126 WeakPolarHBondContact O-CB 3.33Å; L122-A126 PolarHBondContact O-N 2.69Å; S124-A126 PolarHBondContact O-N 2.82Å; A126-S130 WeakPolarHBondContact O-CB 3.23Å; A126-S130 PolarHBondContact O-N 3.09Å; A126-S130 PolarHBondContact O-OG 3.37Å; A126-L136 HydrophobicContact CB-CD1 4.15Å; A126-Y152 HydrophobicContact CB-CD1 3.57Å; A126-Y152 HydrophobicContact CB-CE1 3.99Å; A126-I155 HydrophobicContact CB-CD1 4.19Å
127	R	96.1	Very high	95.3	Very high	108 Å²	108	30.9 Å²	30.9	41%	0.408	14%	0.137	S	C	.	.	H	α-helix	trans	-64.2	-45	169.9	-72.9	166.7	-179.2	147.7	0	111.3	A123 S124 V125 S130 H131 E151 Y152	A123-R127 WeakPolarHBondContact O-CD 3.35Å; A123-R127 VanDerWaalsContact O-CG 3.29Å; A123-R127 WeakPolarHBondContact O-CG 3.42Å; A123-R127 PolarHBondContact O-N 2.78Å; S124-R127 PolarHBondContact O-N 3.45Å; V125-R127 PolarHBondContact O-N 3.06Å; R127-S130 PolarHBondContact O-N 3Å; R127-H131 WeakPolarHBondContact O-CB 3.48Å; R127-H131 PolarHBondContact O-N 2.81Å; R127-E151 HydrophobicContact CG-CG 4.04Å; R127-E151 IonicContact CZ-OE1 3.91Å; R127-E151 IonicContact NE-OE1 3.93Å; R127-E151 PolarHBondContact NE-OE1 3.25Å; R127-E151 IonicContact NH2-OE1 3.91Å; R127-E151 PolarHBondContact NH2-OE1 3.12Å; R127-Y152 HydrophobicContact CG-CE1 3.91Å; R127-Y152 PolarHBondContact NH2-OH 3.05Å
128	F	96.1	Very high	95.6	Very high	68 Å²	68	30.9 Å²	30.9	30%	0.298	14%	0.137	S	C	.	.	H	α-helix	trans	-62.3	-45.9	175.3	-72.3	-51.4	0	0	0	111.9	Q98 V102 S124 V125 S130 H131 W132	Q98-F128 HydrophobicContact CB-CE2 4.12Å; Q98-F128 HydrophobicContact CG-CE2 4.05Å; V102-F128 HydrophobicContact CG2-CE2 4.31Å; V102-F128 HydrophobicContact CG2-CZ 4.28Å; S124-F128 VanDerWaalsContact O-CD2 3.3Å; S124-F128 WeakPolarHBondContact O-CD2 3.31Å; S124-F128 PolarHBondContact O-N 3.01Å; V125-F128 WeakPolarHBondContact O-CB 3.27Å; V125-F128 PolarHBondContact O-N 3.44Å; F128-S130 VanDerWaalsContact C-N 3.32Å; F128-S130 PolarHBondContact O-N 3.2Å; F128-H131 WeakPolarHBondContact O-CB 3.38Å; F128-H131 PolarHBondContact O-N 3.31Å; F128-W132 HydrophobicContact CB-CD2 4.29Å; F128-W132 HydrophobicContact CB-CE3 3.92Å; F128-W132 HydrophobicContact CB-CH2 3.66Å; F128-W132 HydrophobicContact CB-CZ2 4.04Å; F128-W132 HydrophobicContact CB-CZ3 3.61Å; F128-W132 HydrophobicContact CD1-CH2 4.26Å; F128-W132 HydrophobicContact CD1-CZ2 4.03Å; F128-W132 AromaticContact CG-CH2 3.94Å; F128-W132 HydrophobicContact CG-CH2 3.94Å; F128-W132 HydrophobicContact CG-CZ2 4.17Å; F128-W132 HydrophobicContact CG-CZ3 4.37Å; F128-W132 WeakPolarHBondContact O-CB 3.24Å; F128-W132 VanDerWaalsContact O-CD2 3.29Å; F128-W132 VanDerWaalsContact O-CG 3.29Å; F128-W132 PolarHBondContact O-N 3.15Å
129	A	95.3	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-43.5	177	0	0	0	0	0	111.6	F113 V125 H131 W132 K133 L134 L136	F113-A129 HydrophobicContact CD2-CB 4.47Å; V125-A129 WeakPolarHBondContact O-CB 3.39Å; V125-A129 PolarHBondContact O-N 2.99Å; A129-H131 PolarHBondContact O-N 2.89Å; A129-W132 CarbonylContact O-C 3.52Å; A129-W132 PolarHBondContact O-N 3.14Å; A129-K133 WeakPolarHBondContact O-CA 3.26Å; A129-K133 PolarHBondContact O-N 2.93Å; A129-L134 PolarHBondContact O-N 3.1Å; A129-L136 HydrophobicContact CB-CB 3.98Å; A129-L136 HydrophobicContact CB-CD1 4.07Å
130	S	94.7	Very high	95.5	Very high	17 Å²	17	30.6 Å²	30.6	12%	0.119	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-40.2	176.3	-62.8	0	0	0	0	112	A126 R127 F128 K133 E151 R153 T154	A126-S130 WeakPolarHBondContact O-CB 3.23Å; A126-S130 PolarHBondContact O-N 3.09Å; A126-S130 PolarHBondContact O-OG 3.37Å; R127-S130 PolarHBondContact O-N 3Å; F128-S130 VanDerWaalsContact C-N 3.32Å; F128-S130 PolarHBondContact O-N 3.2Å; S130-K133 PolarHBondContact O-N 2.62Å; S130-E151 PolarHBondContact OG-O 2.93Å; S130-R153 PolarHBondContact OG-N 3.49Å; S130-T154 WeakPolarHBondContact CA-OG1 3.33Å; S130-T154 PolarHBondContact N-OG1 2.88Å
131	H	94.7	Very high	95.4	Very high	150 Å²	150	26.7 Å²	26.7	69%	0.694	12%	0.121	S	C	*	.	H	α-helix	trans	-66	-43	175.2	-179.2	74	0	0	0	112.3	R127 F128 A129 K133	R127-H131 WeakPolarHBondContact O-CB 3.48Å; R127-H131 PolarHBondContact O-N 2.81Å; F128-H131 WeakPolarHBondContact O-CB 3.38Å; F128-H131 PolarHBondContact O-N 3.31Å; A129-H131 PolarHBondContact O-N 2.89Å; H131-K133 PolarHBondContact O-N 3.3Å
132	W	94.4	Very high	95.2	Very high	61 Å²	61	27.5 Å²	27.5	23%	0.231	13%	0.126	C	C	.	.	H	α-helix	trans	-79.6	-2	178.2	-60.8	-33	0	0	0	114.1	V102 K105 F113 F128 A129 L134	V102-W132 HydrophobicContact CG2-CH2 3.99Å; V102-W132 HydrophobicContact CG2-CZ2 4.23Å; K105-W132 HydrophobicContact CB-CD2 4.36Å; K105-W132 HydrophobicContact CB-CE3 4Å; K105-W132 HydrophobicContact CB-CH2 3.72Å; K105-W132 HydrophobicContact CB-CZ2 4.1Å; K105-W132 HydrophobicContact CB-CZ3 3.65Å; K105-W132 HydrophobicContact CD-CD2 4.11Å; K105-W132 HydrophobicContact CD-CE3 4.05Å; K105-W132 HydrophobicContact CD-CG 4.37Å; K105-W132 HydrophobicContact CG-CD2 3.74Å; K105-W132 HydrophobicContact CG-CE3 3.81Å; K105-W132 HydrophobicContact CG-CG 4.31Å; K105-W132 HydrophobicContact CG-CH2 4.11Å; K105-W132 HydrophobicContact CG-CZ2 4.06Å; K105-W132 HydrophobicContact CG-CZ3 3.98Å; F113-W132 HydrophobicContact CE2-CE3 4.23Å; F113-W132 HydrophobicContact CE2-CZ3 4.18Å; F113-W132 HydrophobicContact CZ-CZ3 4.31Å; F128-W132 HydrophobicContact CB-CD2 4.29Å; F128-W132 HydrophobicContact CB-CE3 3.92Å; F128-W132 HydrophobicContact CB-CH2 3.66Å; F128-W132 HydrophobicContact CB-CZ2 4.04Å; F128-W132 HydrophobicContact CB-CZ3 3.61Å; F128-W132 HydrophobicContact CD1-CH2 4.26Å; F128-W132 HydrophobicContact CD1-CZ2 4.03Å; F128-W132 AromaticContact CG-CH2 3.94Å; F128-W132 HydrophobicContact CG-CH2 3.94Å; F128-W132 HydrophobicContact CG-CZ2 4.17Å; F128-W132 HydrophobicContact CG-CZ3 4.37Å; F128-W132 WeakPolarHBondContact O-CB 3.24Å; F128-W132 VanDerWaalsContact O-CD2 3.29Å; F128-W132 VanDerWaalsContact O-CG 3.29Å; F128-W132 PolarHBondContact O-N 3.15Å; A129-W132 CarbonylContact O-C 3.52Å; A129-W132 PolarHBondContact O-N 3.14Å; W132-L134 HydrophobicContact CB-CD1 4.21Å; W132-L134 HydrophobicContact CB-CG 4.1Å; W132-L134 HydrophobicContact CE3-CD1 4.34Å; W132-L134 PolarHBondContact O-N 2.95Å
133	K	94.8	Very high	95.1	Very high	121 Å²	121	27.7 Å²	27.7	53%	0.526	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	39.7	-175.9	-51.4	179.8	-178.9	178.1	0	112.3	A129 S130 H131 G369 I370	A129-K133 WeakPolarHBondContact O-CA 3.26Å; A129-K133 PolarHBondContact O-N 2.93Å; S130-K133 PolarHBondContact O-N 2.62Å; H131-K133 PolarHBondContact O-N 3.3Å; K133-G369 WeakPolarHBondContact O-CA 3.38Å; K133-G369 PolarHBondContact O-N 2.87Å; K133-I370 HydrophobicContact CB-CD1 4.28Å; K133-I370 HydrophobicContact CB-CG1 4.2Å; K133-I370 HydrophobicContact CD-CD1 3.9Å; K133-I370 HydrophobicContact CG-CD1 3.92Å; K133-I370 HydrophobicContact CG-CG1 4.36Å
134	L	94.8	Very high	95	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	13%	0.13	C	C	.	.			trans	-102.4	138.2	175.5	-69.7	178.5	0	0	0	110	K105 P110 F113 A129 W132 T154	K105-L134 HydrophobicContact CD-CD1 3.83Å; P110-L134 WeakPolarHBondContact O-CD2 3.45Å; F113-L134 HydrophobicContact CD2-CD1 4.21Å; F113-L134 HydrophobicContact CE2-CD1 3.67Å; A129-L134 PolarHBondContact O-N 3.1Å; W132-L134 HydrophobicContact CB-CD1 4.21Å; W132-L134 HydrophobicContact CB-CG 4.1Å; W132-L134 HydrophobicContact CE3-CD1 4.34Å; W132-L134 PolarHBondContact O-N 2.95Å; L134-T154 WeakPolarHBondContact O-CB 3.34Å; L134-T154 PolarHBondContact O-OG1 3.2Å
135	P	96.5	Very high	94.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.148	C	C	.	.			trans	-63.1	140	170.3	-14.9	31.2	0	0	0	110.1	D111 V112 F113 Y352 G369 I372	D111-P135 VanDerWaalsContact O-CD 3.27Å; D111-P135 WeakPolarHBondContact O-CD 3.47Å; V112-P135 HydrophobicContact CG2-CB 4.07Å; F113-P135 PolarHBondContact N-O 3.38Å; P135-Y352 HydrophobicContact CB-CE2 4.48Å; P135-Y352 HydrophobicContact CG-CE2 4.24Å; P135-G369 VanDerWaalsContact CD-CA 3.41Å; P135-G369 VanDerWaalsContact CG-CA 3.46Å; P135-I372 HydrophobicContact CG-CB 4.13Å; P135-I372 HydrophobicContact CG-CD1 4.27Å; P135-I372 HydrophobicContact CG-CG2 4.08Å
136	L	97.1	Very high	94.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.7	169.8	-172.6	156.7	0	0	0	108.8	F113 L122 V125 A126 A129 T138 T154 I155 V156	F113-L136 HydrophobicContact CB-CB 4.39Å; F113-L136 HydrophobicContact CB-CD1 4.26Å; F113-L136 HydrophobicContact CB-CG 4.01Å; F113-L136 WeakPolarHBondContact O-CA 3.37Å; L122-L136 HydrophobicContact CD1-CD1 4.11Å; L122-L136 HydrophobicContact CD1-CD2 3.43Å; L122-L136 VanDerWaalsContact CD1-CD2 3.43Å; L122-L136 HydrophobicContact CD1-CG 4.46Å; V125-L136 HydrophobicContact CB-CD1 4.35Å; V125-L136 HydrophobicContact CG1-CD1 3.78Å; A126-L136 HydrophobicContact CB-CD1 4.15Å; A129-L136 HydrophobicContact CB-CB 3.98Å; A129-L136 HydrophobicContact CB-CD1 4.07Å; L136-T138 HydrophobicContact CD2-CG2 4.15Å; L136-T154 PolarHBondContact N-O 2.81Å; L136-I155 HydrophobicContact CD2-CD1 4.38Å; L136-I155 HydrophobicContact CD2-CG1 4.08Å; L136-I155 CarbonylContact O-C 3.53Å; L136-I155 WeakPolarHBondContact O-CA 3.4Å; L136-V156 PolarHBondContact O-N 3.14Å
137	I	97.5	Very high	94.3	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.1	-177.2	-56.3	178.5	0	0	0	109.3	V112 F113 F114 G115 V156 Y352	V112-I137 HydrophobicContact CG2-CD1 4.26Å; V112-I137 HydrophobicContact CG2-CG1 4.37Å; F113-I137 PolarHBondContact O-N 3.19Å; F114-I137 CarbonylContact C-O 3.52Å; F114-I137 VanDerWaalsContact CA-O 3.27Å; F114-I137 WeakPolarHBondContact CA-O 3.27Å; F114-I137 HydrophobicContact CD1-CB 4.33Å; F114-I137 HydrophobicContact CD1-CG2 4.41Å; F114-I137 HydrophobicContact CE1-CB 4Å; F114-I137 HydrophobicContact CE1-CG2 3.86Å; F114-I137 HydrophobicContact CE2-CB 4.35Å; F114-I137 HydrophobicContact CE2-CD1 4.16Å; F114-I137 HydrophobicContact CZ-CB 4Å; F114-I137 HydrophobicContact CZ-CD1 3.8Å; F114-I137 HydrophobicContact CZ-CG1 4.42Å; F114-I137 HydrophobicContact CZ-CG2 4.17Å; G115-I137 PolarHBondContact N-O 3.16Å; I137-V156 WeakPolarHBondContact CA-O 3.44Å; I137-V156 HydrophobicContact CG1-CB 4.22Å; I137-Y352 HydrophobicContact CD1-CD2 3.81Å; I137-Y352 HydrophobicContact CD1-CG 3.86Å
138	T	97.3	Very high	93.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	142.9	-179.4	-171.8	0	0	0	0	111.5	P116 L122 L136 G140 I155 V156 R157 S158	P116-T138 PolarHBondContact O-OG1 3.13Å; L122-T138 HydrophobicContact CD1-CG2 4.09Å; L122-T138 HydrophobicContact CD2-CG2 3.77Å; L136-T138 HydrophobicContact CD2-CG2 4.15Å; T138-G140 PolarHBondContact OG1-N 2.68Å; T138-G140 VanDerWaalsContact OG1-N 3.16Å; T138-I155 HydrophobicContact CG2-CD1 4.45Å; T138-V156 PolarHBondContact N-O 3.46Å; T138-R157 HydrophobicContact CG2-CG 4.2Å; T138-R157 CarbonylContact O-C 3.56Å; T138-R157 VanDerWaalsContact O-CA 3.24Å; T138-R157 WeakPolarHBondContact O-CA 3.47Å; T138-S158 PolarHBondContact O-N 3Å
139	A	95.9	Very high	93.1	Very high	2 Å²	2	31 Å²	31	2%	0.017	16%	0.159	C	C	.	.	S	Bend	trans	-102.9	10.7	167.7	0	0	0	0	0	112.8	I341 F345	A139-I341 HydrophobicContact CB-CG2 4.21Å; A139-F345 HydrophobicContact CB-CD1 4.38Å; A139-F345 HydrophobicContact CB-CD2 3.56Å; A139-F345 HydrophobicContact CB-CE1 4.49Å; A139-F345 HydrophobicContact CB-CE2 3.66Å; A139-F345 HydrophobicContact CB-CG 3.95Å; A139-F345 HydrophobicContact CB-CZ 4.14Å; A139-F345 VanDerWaalsContact N-CZ 3.31Å
140	G	91.4	Very high	92.6	Very high	3 Å²	3	39.4 Å²	39.4	3%	0.031	20%	0.198	C	C	.	.			trans	-109.4	-155.9	170	0	0	0	0	0	111.8	G117 T138	G117-G140 CarbonylContact O-C 3.45Å; G117-G140 WeakPolarHBondContact O-CA 3.37Å; T138-G140 PolarHBondContact OG1-N 2.68Å; T138-G140 VanDerWaalsContact OG1-N 3.16Å
141	G	91.4	Very high	92.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.			trans	57.8	58.8	174.7	0	0	0	0	0	113	G117 A143 F146	G117-G141 PolarHBondContact O-N 3.17Å; G141-A143 PolarHBondContact O-N 3.4Å; G141-A143 VanDerWaalsContact O-N 3.11Å; G141-F146 WeakPolarHBondContact O-CD2 3.25Å; G141-F146 WeakPolarHBondContact O-CE2 3.35Å
142	P	91.9	Very high	92.3	Very high	18 Å²	18	36.3 Å²	36.3	12%	0.117	18%	0.182	C	C	.	.			trans	-73.2	-8.3	-166.4	32.6	-38.9	0	0	0	113.8	T162	P142-T162 HydrophobicContact CB-CG2 3.75Å; P142-T162 HydrophobicContact CG-CG2 4.25Å; P142-T162 VanDerWaalsContact O-CG2 3.32Å; P142-T162 WeakPolarHBondContact O-CG2 3.48Å; P142-T162 PolarHBondContact O-N 3.47Å; P142-T162 PolarHBondContact O-OG1 3.25Å; P142-T162 VanDerWaalsContact O-OG1 3.13Å
143	A	94.3	Very high	92.2	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	20%	0.2	C	C	.	.			trans	-53.6	148.1	-169.8	0	0	0	0	0	114.9	V119 G141 G145 F146 F198	V119-A143 HydrophobicContact CG1-CB 3.67Å; V119-A143 HydrophobicContact CG2-CB 4.03Å; G141-A143 PolarHBondContact O-N 3.4Å; G141-A143 VanDerWaalsContact O-N 3.11Å; A143-G145 VanDerWaalsContact C-N 3.3Å; A143-G145 PolarHBondContact O-N 3.26Å; A143-F146 HydrophobicContact CB-CD2 3.99Å; A143-F146 HydrophobicContact CB-CE2 3.89Å; A143-F146 WeakPolarHBondContact O-CD2 3.48Å; A143-F198 HydrophobicContact CB-CB 4.38Å; A143-F198 HydrophobicContact CB-CD1 3.49Å; A143-F198 VanDerWaalsContact CB-CD1 3.49Å; A143-F198 HydrophobicContact CB-CE1 3.91Å; A143-F198 HydrophobicContact CB-CG 3.99Å
144	Y	92.3	Very high	92.2	Very high	44 Å²	44	35.5 Å²	35.5	17%	0.173	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-64.1	-35.5	-176.6	-173	-80.4	0	0	0	112	F146 D147 T163 E201 L205 Q209	Y144-F146 PolarHBondContact O-N 2.93Å; Y144-D147 PolarHBondContact O-N 3.35Å; Y144-D147 VanDerWaalsContact O-N 3.16Å; Y144-T163 HydrophobicContact CD2-CG2 3.38Å; Y144-T163 HydrophobicContact CE2-CG2 3.69Å; Y144-T163 HydrophobicContact CG-CG2 4.04Å; Y144-E201 PolarHBondContact N-OE2 2.98Å; Y144-L205 HydrophobicContact CD1-CD1 3.47Å; Y144-L205 VanDerWaalsContact CD1-CD1 3.47Å; Y144-L205 HydrophobicContact CD2-CB 4.09Å; Y144-L205 HydrophobicContact CD2-CD1 3.96Å; Y144-L205 HydrophobicContact CE1-CD1 3.91Å; Y144-L205 HydrophobicContact CE2-CB 3.95Å; Y144-L205 HydrophobicContact CE2-CD1 4.34Å; Y144-L205 HydrophobicContact CG-CD1 3.52Å; Y144-Q209 PolarHBondContact OH-OE1 3.44Å
145	G	90.8	Very high	92.2	Very high	41 Å²	41	35.5 Å²	35.5	42%	0.423	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-59.2	-20.3	-175.8	0	0	0	0	0	115.6	A143 D147 A148	A143-G145 VanDerWaalsContact C-N 3.3Å; A143-G145 PolarHBondContact O-N 3.26Å; G145-D147 PolarHBondContact O-N 2.96Å; G145-A148 WeakPolarHBondContact O-CB 3.38Å; G145-A148 PolarHBondContact O-N 3.33Å
146	F	93.8	Very high	92.2	Very high	7 Å²	7	35.5 Å²	35.5	3%	0.031	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-71.4	-10.3	178.6	-65.8	-60.1	0	0	0	114.2	V119 L122 A123 G141 A143 Y144 A148 Y152 I155	V119-F146 HydrophobicContact CG1-CE2 4.01Å; V119-F146 HydrophobicContact CG1-CZ 4.18Å; L122-F146 HydrophobicContact CB-CE1 4.47Å; L122-F146 HydrophobicContact CB-CZ 3.96Å; L122-F146 HydrophobicContact CD2-CD2 4.27Å; L122-F146 HydrophobicContact CD2-CE1 4.04Å; L122-F146 HydrophobicContact CD2-CE2 3.71Å; L122-F146 HydrophobicContact CD2-CZ 3.59Å; L122-F146 HydrophobicContact CG-CE1 3.86Å; L122-F146 HydrophobicContact CG-CE2 4.32Å; L122-F146 HydrophobicContact CG-CZ 3.68Å; A123-F146 HydrophobicContact CB-CE1 4.18Å; A123-F146 HydrophobicContact CB-CZ 4.27Å; G141-F146 WeakPolarHBondContact O-CD2 3.25Å; G141-F146 WeakPolarHBondContact O-CE2 3.35Å; A143-F146 HydrophobicContact CB-CD2 3.99Å; A143-F146 HydrophobicContact CB-CE2 3.89Å; A143-F146 WeakPolarHBondContact O-CD2 3.48Å; Y144-F146 PolarHBondContact O-N 2.93Å; F146-A148 PolarHBondContact O-N 3.29Å; F146-Y152 HydrophobicContact CD1-CD1 4.13Å; F146-Y152 HydrophobicContact CD1-CD2 4.02Å; F146-Y152 HydrophobicContact CD1-CE1 4.04Å; F146-Y152 AromaticContact CD1-CE2 3.95Å; F146-Y152 HydrophobicContact CD1-CE2 3.95Å; F146-Y152 HydrophobicContact CD1-CG 4.11Å; F146-Y152 AromaticContact CD1-CZ 3.96Å; F146-Y152 HydrophobicContact CE1-CD1 4.44Å; F146-Y152 HydrophobicContact CE1-CE1 4Å; F146-Y152 HydrophobicContact CE1-CE2 4.44Å; F146-I155 HydrophobicContact CD1-CD1 4.05Å; F146-I155 HydrophobicContact CG-CD1 4.34Å
147	D	89.2	Confident	92.2	Very high	22 Å²	22	35.6 Å²	35.6	12%	0.118	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-68.9	-15.8	171.3	-80.4	34.3	0	0	0	112.8	Y144 G145 R149 R157 K393	Y144-D147 PolarHBondContact O-N 3.35Å; Y144-D147 VanDerWaalsContact O-N 3.16Å; G145-D147 PolarHBondContact O-N 2.96Å; D147-R149 PolarHBondContact O-N 3.41Å; D147-R157 IonicContact OD1-CZ 3.41Å; D147-R157 VanDerWaalsContact OD1-CZ 3.3Å; D147-R157 IonicContact OD1-NH1 2.94Å; D147-R157 PolarHBondContact OD1-NH1 2.97Å; D147-R157 VanDerWaalsContact OD1-NH1 3.13Å; D147-R157 IonicContact OD1-NH2 3.78Å; D147-R157 PolarHBondContact OD1-NH2 3.31Å; D147-K393 HydrophobicContact CB-CD 4.45Å; D147-K393 WeakPolarHBondContact OD2-CD 3.28Å; D147-K393 IonicContact OD2-NZ 3.43Å; D147-K393 PolarHBondContact OD2-NZ 3.32Å
148	A	88.4	Confident	92.1	Very high	47 Å²	47	35.6 Å²	35.6	39%	0.388	18%	0.176	S	C	.	.			trans	-71.5	87.1	-178.2	0	0	0	0	0	112.1	G145 F146 E150 E151 Y152	G145-A148 WeakPolarHBondContact O-CB 3.38Å; G145-A148 PolarHBondContact O-N 3.33Å; F146-A148 PolarHBondContact O-N 3.29Å; A148-E150 PolarHBondContact O-N 3.17Å; A148-E150 VanDerWaalsContact O-N 3.1Å; A148-E151 PolarHBondContact O-N 3.33Å; A148-E151 VanDerWaalsContact O-N 3.1Å; A148-Y152 PolarHBondContact O-N 2.85Å
149	R	78.9	Confident	92	Very high	108 Å²	108	35.6 Å²	35.6	41%	0.408	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.2	-176.4	-63.1	-165.3	-170.1	168.4	16.4	114.9	D147 E151 R153 D392 K393	D147-R149 PolarHBondContact O-N 3.41Å; R149-E151 PolarHBondContact O-N 3.13Å; R149-R153 WeakPolarHBondContact O-CG 3.41Å; R149-D392 IonicContact CZ-OD2 2.7Å; R149-D392 PolarHBondContact NH1-O 3.2Å; R149-D392 VanDerWaalsContact NH2-CG 3.3Å; R149-D392 PolarHBondContact NH2-O 3.46Å; R149-D392 IonicContact NH2-OD1 3.25Å; R149-D392 IonicContact NH2-OD2 3.72Å; R149-D392 PolarHBondContact NH2-OD2 2.9Å; R149-K393 VanDerWaalsContact NH2-CG 3.33Å
150	E	84.8	Confident	91.8	Very high	176 Å²	176	35.7 Å²	35.7	82%	0.822	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-36.2	177.4	-64.2	-166.4	168.3	0	0	111.5	A148 R153	A148-E150 PolarHBondContact O-N 3.17Å; A148-E150 VanDerWaalsContact O-N 3.1Å; E150-R153 PolarHBondContact O-NE 2.66Å
151	E	89.5	Confident	92	Very high	84 Å²	84	35.6 Å²	35.6	39%	0.393	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-43	-174.8	-170.9	171.6	-158.8	0	0	112.3	R127 S130 A148 R149	R127-E151 HydrophobicContact CG-CG 4.04Å; R127-E151 IonicContact CZ-OE1 3.91Å; R127-E151 IonicContact NE-OE1 3.93Å; R127-E151 PolarHBondContact NE-OE1 3.25Å; R127-E151 IonicContact NH2-OE1 3.91Å; R127-E151 PolarHBondContact NH2-OE1 3.12Å; S130-E151 PolarHBondContact OG-O 2.93Å; A148-E151 PolarHBondContact O-N 3.33Å; A148-E151 VanDerWaalsContact O-N 3.1Å; R149-E151 PolarHBondContact O-N 3.13Å
152	Y	93.5	Very high	92	Very high	17 Å²	17	35.6 Å²	35.6	7%	0.067	18%	0.175	C	C	.	.			trans	-110.6	70.3	-176	-52.6	-71.2	0	0	0	111.5	A126 R127 F146 A148 I155	A126-Y152 HydrophobicContact CB-CD1 3.57Å; A126-Y152 HydrophobicContact CB-CE1 3.99Å; R127-Y152 HydrophobicContact CG-CE1 3.91Å; R127-Y152 PolarHBondContact NH2-OH 3.05Å; F146-Y152 HydrophobicContact CD1-CD1 4.13Å; F146-Y152 HydrophobicContact CD1-CD2 4.02Å; F146-Y152 HydrophobicContact CD1-CE1 4.04Å; F146-Y152 AromaticContact CD1-CE2 3.95Å; F146-Y152 HydrophobicContact CD1-CE2 3.95Å; F146-Y152 HydrophobicContact CD1-CG 4.11Å; F146-Y152 AromaticContact CD1-CZ 3.96Å; F146-Y152 HydrophobicContact CE1-CD1 4.44Å; F146-Y152 HydrophobicContact CE1-CE1 4Å; F146-Y152 HydrophobicContact CE1-CE2 4.44Å; A148-Y152 PolarHBondContact O-N 2.85Å; Y152-I155 WeakPolarHBondContact O-CG2 3.36Å
153	R	91.9	Very high	92	Very high	166 Å²	166	35.2 Å²	35.2	63%	0.626	17%	0.172	S	C	*	.	S	Bend	trans	-73.5	-33.8	-171.8	-70.6	178.5	-173.9	-156	-1.3	114.4	S130 R149 E150	S130-R153 PolarHBondContact OG-N 3.49Å; R149-R153 WeakPolarHBondContact O-CG 3.41Å; E150-R153 PolarHBondContact O-NE 2.66Å
154	T	94.6	Very high	91.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-109.3	9.3	-171.1	58.5	0	0	0	0	113.6	S130 L134 L136 I370 T373	S130-T154 WeakPolarHBondContact CA-OG1 3.33Å; S130-T154 PolarHBondContact N-OG1 2.88Å; L134-T154 WeakPolarHBondContact O-CB 3.34Å; L134-T154 PolarHBondContact O-OG1 3.2Å; L136-T154 PolarHBondContact N-O 2.81Å; T154-I370 HydrophobicContact CG2-CG1 4.07Å; T154-T373 PolarHBondContact O-OG1 2.86Å
155	I	95.8	Very high	91.9	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.2	178.3	-164.8	168.2	0	0	0	111.2	L122 A126 L136 T138 F146 Y152 R157 N394	L122-I155 HydrophobicContact CD1-CD1 4.1Å; L122-I155 HydrophobicContact CD2-CD1 4.13Å; L122-I155 HydrophobicContact CG-CD1 4.27Å; A126-I155 HydrophobicContact CB-CD1 4.19Å; L136-I155 HydrophobicContact CD2-CD1 4.38Å; L136-I155 HydrophobicContact CD2-CG1 4.08Å; L136-I155 CarbonylContact O-C 3.53Å; L136-I155 WeakPolarHBondContact O-CA 3.4Å; T138-I155 HydrophobicContact CG2-CD1 4.45Å; F146-I155 HydrophobicContact CD1-CD1 4.05Å; F146-I155 HydrophobicContact CG-CD1 4.34Å; Y152-I155 WeakPolarHBondContact O-CG2 3.36Å; I155-R157 HydrophobicContact CD1-CG 4.28Å; I155-R157 HydrophobicContact CG1-CG 4.33Å; I155-N394 VanDerWaalsContact O-CB 3.23Å; I155-N394 WeakPolarHBondContact O-CB 3.48Å; I155-N394 PolarHBondContact O-ND2 2.94Å
156	V	96.2	Very high	92	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.2	169.8	-174.6	0	0	0	0	108.7	L136 I137 T138 L351 T373 T376 N394	L136-V156 PolarHBondContact O-N 3.14Å; I137-V156 WeakPolarHBondContact CA-O 3.44Å; I137-V156 HydrophobicContact CG1-CB 4.22Å; T138-V156 PolarHBondContact N-O 3.46Å; V156-L351 HydrophobicContact CG1-CD2 3.86Å; V156-T373 HydrophobicContact CG2-CG2 3.85Å; V156-T376 HydrophobicContact CG2-CG2 4.31Å; V156-T376 WeakPolarHBondContact CG2-OG1 3.37Å; V156-N394 HydrophobicContact CB-CB 4.43Å; V156-N394 HydrophobicContact CG1-CB 4.43Å; V156-N394 HydrophobicContact CG2-CB 4.25Å
157	R	96.2	Very high	91.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	99.3	179.3	-68.9	175.9	-61.3	168.6	1.5	109	T138 D147 I155 G159 T161 N394 R396	T138-R157 HydrophobicContact CG2-CG 4.2Å; T138-R157 CarbonylContact O-C 3.56Å; T138-R157 VanDerWaalsContact O-CA 3.24Å; T138-R157 WeakPolarHBondContact O-CA 3.47Å; D147-R157 IonicContact OD1-CZ 3.41Å; D147-R157 VanDerWaalsContact OD1-CZ 3.3Å; D147-R157 IonicContact OD1-NH1 2.94Å; D147-R157 PolarHBondContact OD1-NH1 2.97Å; D147-R157 VanDerWaalsContact OD1-NH1 3.13Å; D147-R157 IonicContact OD1-NH2 3.78Å; D147-R157 PolarHBondContact OD1-NH2 3.31Å; I155-R157 HydrophobicContact CD1-CG 4.28Å; I155-R157 HydrophobicContact CG1-CG 4.33Å; R157-G159 VanDerWaalsContact C-N 3.33Å; R157-T161 HydrophobicContact CB-CG2 3.9Å; R157-T161 HydrophobicContact CG-CG2 4.36Å; R157-N394 PolarHBondContact N-O 3Å; R157-R396 WeakPolarHBondContact O-CB 3.47Å; R157-R396 PolarHBondContact O-N 3.07Å
158	S	96	Very high	92.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	14%	0.144	C	C	.	.			trans	-86.7	-1.6	-178.1	68.4	0	0	0	0	113.9	T138 S344 R396	T138-S158 PolarHBondContact O-N 3Å; S158-S344 WeakPolarHBondContact CB-O 3.4Å; S158-S344 WeakPolarHBondContact O-CB 3.45Å; S158-S344 PolarHBondContact OG-O 3.31Å; S158-R396 WeakPolarHBondContact O-CD 3.41Å
159	G	94.6	Very high	92.5	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-117.4	-169.2	176.8	0	0	0	0	0	113	R157	R157-G159 VanDerWaalsContact C-N 3.33Å
160	P	93.3	Very high	93.2	Very high	4 Å²	4	24.5 Å²	24.5	3%	0.026	11%	0.109	C	C	.	.			trans	-60.2	146.4	177.4	-25.4	35.1	0	0	0	115.1	Y306 Y340 I341 I398	P160-Y306 HydrophobicContact CB-CD1 4.22Å; P160-Y306 HydrophobicContact CB-CE1 3.44Å; P160-Y306 VanDerWaalsContact CB-CE1 3.44Å; P160-Y306 HydrophobicContact CB-CE2 3.86Å; P160-Y306 WeakPolarHBondContact CB-OH 3.46Å; P160-Y306 HydrophobicContact CG-CD1 4.17Å; P160-Y306 HydrophobicContact CG-CD2 4.09Å; P160-Y306 HydrophobicContact CG-CE1 3.84Å; P160-Y306 HydrophobicContact CG-CE2 3.72Å; P160-Y306 HydrophobicContact CG-CG 4.32Å; P160-Y340 HydrophobicContact CG-CD1 4.08Å; P160-Y340 HydrophobicContact CG-CE1 3.67Å; P160-I341 HydrophobicContact CG-CD1 3.87Å; P160-I398 HydrophobicContact CB-CD1 3.9Å; P160-I398 HydrophobicContact CB-CG2 4.24Å; P160-I398 HydrophobicContact CG-CG2 4.3Å
161	T	94	Very high	93.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.			trans	-137.6	152.3	176.4	59	0	0	0	0	110.2	R157 T163 K164 I165	R157-T161 HydrophobicContact CB-CG2 3.9Å; R157-T161 HydrophobicContact CG-CG2 4.36Å; T161-T163 PolarHBondContact O-N 2.87Å; T161-T163 PolarHBondContact OG1-OG1 3.47Å; T161-K164 PolarHBondContact O-N 3.11Å; T161-K164 WeakPolarHBondContact OG1-CG 3.47Å; T161-I165 PolarHBondContact O-N 3.41Å
162	T	92.4	Very high	93.8	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-73.1	-21.1	-175.6	67.1	0	0	0	0	112.5	P142 K164 I165 G166 F198 L199	P142-T162 HydrophobicContact CB-CG2 3.75Å; P142-T162 HydrophobicContact CG-CG2 4.25Å; P142-T162 VanDerWaalsContact O-CG2 3.32Å; P142-T162 WeakPolarHBondContact O-CG2 3.48Å; P142-T162 PolarHBondContact O-N 3.47Å; P142-T162 PolarHBondContact O-OG1 3.25Å; P142-T162 VanDerWaalsContact O-OG1 3.13Å; T162-K164 VanDerWaalsContact C-N 3.32Å; T162-I165 PolarHBondContact O-N 2.72Å; T162-G166 PolarHBondContact O-N 3.47Å; T162-F198 VanDerWaalsContact CG2-O 3.3Å; T162-F198 WeakPolarHBondContact CG2-O 3.42Å; T162-L199 HydrophobicContact CG2-CD2 4.04Å
163	T	91.4	Very high	93.9	Very high	9 Å²	9	12.4 Å²	12.4	6%	0.055	6%	0.057	C	C	.	.	H	α-helix	trans	-62.9	-39	170.5	49.5	0	0	0	0	111.8	Y144 T161 G166 D167	Y144-T163 HydrophobicContact CD2-CG2 3.38Å; Y144-T163 HydrophobicContact CE2-CG2 3.69Å; Y144-T163 HydrophobicContact CG-CG2 4.04Å; T161-T163 PolarHBondContact O-N 2.87Å; T161-T163 PolarHBondContact OG1-OG1 3.47Å; T163-G166 CarbonylContact O-C 3.55Å; T163-G166 WeakPolarHBondContact O-CA 3.06Å; T163-G166 PolarHBondContact O-N 2.99Å; T163-G166 VanDerWaalsContact O-N 3.16Å; T163-D167 PolarHBondContact O-N 3.49Å
164	K	92.8	Very high	93.9	Very high	12 Å²	12	9.7 Å²	9.7	5%	0.052	6%	0.059	C	C	.	.	H	α-helix	trans	-77.1	-30.1	179.4	-56.5	-64.2	175.7	-176.7	0	113.6	T161 T162 D167 F168 D391 R396 N397 I398	T161-K164 PolarHBondContact O-N 3.11Å; T161-K164 WeakPolarHBondContact OG1-CG 3.47Å; T162-K164 VanDerWaalsContact C-N 3.32Å; K164-D167 WeakPolarHBondContact CD-OD2 3.48Å; K164-D167 IonicContact NZ-OD2 3.12Å; K164-D167 WeakPolarHBondContact O-CB 3.41Å; K164-D167 PolarHBondContact O-N 3.37Å; K164-F168 PolarHBondContact O-N 3.26Å; K164-D391 VanDerWaalsContact CE-OD2 3.26Å; K164-D391 WeakPolarHBondContact CE-OD2 3.35Å; K164-D391 IonicContact NZ-OD2 3.72Å; K164-D391 PolarHBondContact NZ-OD2 2.99Å; K164-R396 WeakPolarHBondContact CG-O 3.35Å; K164-N397 WeakPolarHBondContact CE-OD1 3.47Å; K164-N397 PolarHBondContact NZ-OD1 3.38Å; K164-I398 HydrophobicContact CB-CD1 3.93Å; K164-I398 HydrophobicContact CB-CG1 3.63Å
165	I	93.1	Very high	93.8	Very high	3 Å²	3	15 Å²	15	2%	0.015	8%	0.083	C	C	.	.	H	α-helix	trans	-63.4	-38	165.9	-63.6	176.3	0	0	0	109.7	T161 T162 F168 I169 L199 L271 V273 Y306 I398	T161-I165 PolarHBondContact O-N 3.41Å; T162-I165 PolarHBondContact O-N 2.72Å; I165-F168 WeakPolarHBondContact O-CB 3.23Å; I165-F168 PolarHBondContact O-N 2.87Å; I165-I169 HydrophobicContact CG2-CD1 4.01Å; I165-I169 WeakPolarHBondContact O-CG1 3.43Å; I165-I169 PolarHBondContact O-N 2.86Å; I165-L199 HydrophobicContact CD1-CD2 3.59Å; I165-L271 HydrophobicContact CG2-CD2 4.13Å; I165-V273 HydrophobicContact CD1-CG1 3.98Å; I165-Y306 HydrophobicContact CD1-CE1 3.97Å; I165-Y306 HydrophobicContact CG1-CE1 4.26Å; I165-I398 HydrophobicContact CG1-CD1 4.13Å
166	G	91.9	Very high	93.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.5	-42.9	172	0	0	0	0	0	113.7	T162 T163 F168 I169 N170	T162-G166 PolarHBondContact O-N 3.47Å; T163-G166 CarbonylContact O-C 3.55Å; T163-G166 WeakPolarHBondContact O-CA 3.06Å; T163-G166 PolarHBondContact O-N 2.99Å; T163-G166 VanDerWaalsContact O-N 3.16Å; G166-F168 VanDerWaalsContact C-N 3.29Å; G166-F168 PolarHBondContact O-N 2.99Å; G166-I169 PolarHBondContact O-N 3.4Å; G166-I169 VanDerWaalsContact O-N 3.16Å; G166-N170 WeakPolarHBondContact O-CB 3.08Å; G166-N170 VanDerWaalsContact O-CG 3.25Å; G166-N170 PolarHBondContact O-N 2.99Å
167	D	92.4	Very high	93.4	Very high	20 Å²	20	22.1 Å²	22.1	11%	0.107	12%	0.12	C	C	.	.	H	α-helix	trans	-55.3	-44.1	173.7	-79.1	-45.5	0	0	0	111.4	T163 K164 N170 A171 F419 K424	T163-D167 PolarHBondContact O-N 3.49Å; K164-D167 WeakPolarHBondContact CD-OD2 3.48Å; K164-D167 IonicContact NZ-OD2 3.12Å; K164-D167 WeakPolarHBondContact O-CB 3.41Å; K164-D167 PolarHBondContact O-N 3.37Å; D167-N170 PolarHBondContact O-N 2.65Å; D167-A171 PolarHBondContact O-N 3.09Å; D167-F419 HydrophobicContact CB-CE1 4.45Å; D167-F419 HydrophobicContact CB-CZ 4.2Å; D167-K424 IonicContact OD1-NZ 3.99Å; D167-K424 PolarHBondContact OD1-NZ 3.31Å; D167-K424 IonicContact OD2-NZ 2.8Å; D167-K424 PolarHBondContact OD2-NZ 3.41Å
168	F	94.6	Very high	93.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-46.9	175.8	167.5	-118.1	0	0	0	112	K164 I165 G166 N170 A171 L172 I304 V400 L402 F419 I426	K164-F168 PolarHBondContact O-N 3.26Å; I165-F168 WeakPolarHBondContact O-CB 3.23Å; I165-F168 PolarHBondContact O-N 2.87Å; G166-F168 VanDerWaalsContact C-N 3.29Å; G166-F168 PolarHBondContact O-N 2.99Å; F168-N170 PolarHBondContact O-N 2.75Å; F168-A171 WeakPolarHBondContact O-CB 3.42Å; F168-A171 PolarHBondContact O-N 2.93Å; F168-L172 HydrophobicContact CE2-CD1 4.38Å; F168-L172 HydrophobicContact CZ-CD1 4.22Å; F168-L172 HydrophobicContact CZ-CD2 4.43Å; F168-L172 WeakPolarHBondContact O-CB 3.26Å; F168-L172 PolarHBondContact O-N 3.17Å; F168-I304 HydrophobicContact CD1-CG2 4.13Å; F168-I304 HydrophobicContact CE1-CD1 3.91Å; F168-I304 HydrophobicContact CE1-CG1 4.03Å; F168-I304 HydrophobicContact CE1-CG2 3.83Å; F168-V400 HydrophobicContact CB-CB 4.46Å; F168-V400 HydrophobicContact CB-CG2 4.38Å; F168-V400 HydrophobicContact CD1-CB 4.33Å; F168-V400 HydrophobicContact CD1-CG1 3.71Å; F168-V400 HydrophobicContact CE1-CG1 3.95Å; F168-V400 HydrophobicContact CG-CB 4.19Å; F168-V400 HydrophobicContact CG-CG1 4.08Å; F168-L402 HydrophobicContact CZ-CB 4.12Å; F168-L402 HydrophobicContact CZ-CD1 4.3Å; F168-F419 HydrophobicContact CB-CD1 3.7Å; F168-F419 HydrophobicContact CB-CD2 4.47Å; F168-F419 HydrophobicContact CB-CE1 3.87Å; F168-F419 HydrophobicContact CB-CG 4Å; F168-F419 HydrophobicContact CB-CZ 4.32Å; F168-F419 HydrophobicContact CD2-CB 3.39Å; F168-F419 HydrophobicContact CD2-CD1 4.1Å; F168-F419 AromaticContact CD2-CD2 3.85Å; F168-F419 HydrophobicContact CD2-CD2 3.85Å; F168-F419 AromaticContact CD2-CG 3.52Å; F168-F419 HydrophobicContact CD2-CG 3.52Å; F168-F419 HydrophobicContact CE2-CB 3.87Å; F168-F419 HydrophobicContact CE2-CG 4.43Å; F168-F419 HydrophobicContact CG-CB 4.23Å; F168-F419 HydrophobicContact CG-CD1 4.28Å; F168-F419 HydrophobicContact CG-CG 4.16Å; F168-I426 HydrophobicContact CD2-CD1 4.36Å; F168-I426 HydrophobicContact CD2-CG1 4.4Å; F168-I426 HydrophobicContact CE2-CD1 4.05Å; F168-I426 HydrophobicContact CE2-CG1 4.27Å
169	I	94.5	Very high	93.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-37.3	178.9	-71.9	171.2	0	0	0	110.9	I165 G166 L172 H173 I203 L207 Y241	I165-I169 HydrophobicContact CG2-CD1 4.01Å; I165-I169 WeakPolarHBondContact O-CG1 3.43Å; I165-I169 PolarHBondContact O-N 2.86Å; G166-I169 PolarHBondContact O-N 3.4Å; G166-I169 VanDerWaalsContact O-N 3.16Å; I169-L172 WeakPolarHBondContact O-CB 3.48Å; I169-L172 PolarHBondContact O-N 2.76Å; I169-H173 PolarHBondContact O-CD2 3.22Å; I169-H173 VanDerWaalsContact O-CD2 3.28Å; I169-H173 PolarHBondContact O-N 2.96Å; I169-I203 HydrophobicContact CD1-CB 3.99Å; I169-I203 HydrophobicContact CD1-CD1 3.78Å; I169-I203 HydrophobicContact CD1-CG1 3.43Å; I169-I203 VanDerWaalsContact CD1-CG1 3.43Å; I169-I203 HydrophobicContact CD1-CG2 3.64Å; I169-I203 HydrophobicContact CG2-CG2 4.38Å; I169-L207 HydrophobicContact CG2-CD1 4.28Å; I169-L207 HydrophobicContact CG2-CD2 3.68Å; I169-L207 HydrophobicContact CG2-CG 4Å; I169-Y241 HydrophobicContact CD1-CD1 4.34Å; I169-Y241 HydrophobicContact CD1-CE1 3.98Å; I169-Y241 HydrophobicContact CG1-CE1 4.09Å; I169-Y241 HydrophobicContact CG2-CE1 4.28Å; I169-Y241 WeakPolarHBondContact CG2-OH 3.48Å
170	N	93.3	Very high	92.8	Very high	13 Å²	13	27.7 Å²	27.7	7%	0.07	16%	0.156	C	C	.	.	H	α-helix	trans	-65.7	-42.3	176.9	-72.5	-9.2	0	0	0	111.9	G166 D167 F168 L172 T174 E210 I211	G166-N170 WeakPolarHBondContact O-CB 3.08Å; G166-N170 VanDerWaalsContact O-CG 3.25Å; G166-N170 PolarHBondContact O-N 2.99Å; D167-N170 PolarHBondContact O-N 2.65Å; F168-N170 PolarHBondContact O-N 2.75Å; N170-L172 VanDerWaalsContact C-N 3.3Å; N170-L172 PolarHBondContact O-N 2.88Å; N170-T174 WeakPolarHBondContact O-CB 3.45Å; N170-T174 PolarHBondContact O-N 3.08Å; N170-T174 PolarHBondContact O-OG1 2.86Å; N170-E210 PolarHBondContact ND2-OE2 3.09Å; N170-I211 HydrophobicContact CB-CD1 3.69Å; N170-I211 HydrophobicContact CB-CG1 4.35Å; N170-I211 VanDerWaalsContact OD1-CD1 3.25Å; N170-I211 WeakPolarHBondContact OD1-CD1 3.28Å
171	A	94.1	Very high	92.7	Very high	22 Å²	22	30.2 Å²	30.2	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-38.9	172.6	0	0	0	0	0	111.6	D167 F168 T174 Q175 F419 I426	D167-A171 PolarHBondContact O-N 3.09Å; F168-A171 WeakPolarHBondContact O-CB 3.42Å; F168-A171 PolarHBondContact O-N 2.93Å; A171-T174 PolarHBondContact O-N 3.09Å; A171-Q175 WeakPolarHBondContact O-CB 3.46Å; A171-Q175 PolarHBondContact O-N 3.06Å; A171-F419 HydrophobicContact CB-CD2 4.32Å; A171-F419 HydrophobicContact CB-CE2 3.8Å; A171-I426 HydrophobicContact CB-CD1 3.84Å; A171-I426 HydrophobicContact CB-CG1 3.97Å
172	L	94	Very high	92.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-46.5	179	-163.1	71.4	0	0	0	112.1	F168 I169 N170 T174 Q175 F176 W178 L269 L402 I426	F168-L172 HydrophobicContact CE2-CD1 4.38Å; F168-L172 HydrophobicContact CZ-CD1 4.22Å; F168-L172 HydrophobicContact CZ-CD2 4.43Å; F168-L172 WeakPolarHBondContact O-CB 3.26Å; F168-L172 PolarHBondContact O-N 3.17Å; I169-L172 WeakPolarHBondContact O-CB 3.48Å; I169-L172 PolarHBondContact O-N 2.76Å; N170-L172 VanDerWaalsContact C-N 3.3Å; N170-L172 PolarHBondContact O-N 2.88Å; L172-T174 VanDerWaalsContact C-N 3.31Å; L172-T174 PolarHBondContact O-N 2.8Å; L172-Q175 PolarHBondContact O-N 3.48Å; L172-F176 HydrophobicContact CD1-CD2 4.05Å; L172-F176 HydrophobicContact CD1-CE2 3.51Å; L172-F176 HydrophobicContact CG-CD2 3.98Å; L172-F176 HydrophobicContact CG-CE2 3.92Å; L172-F176 WeakPolarHBondContact O-CD2 3.39Å; L172-F176 PolarHBondContact O-N 3.16Å; L172-W178 HydrophobicContact CD2-CZ3 4.25Å; L172-W178 HydrophobicContact CG-CZ3 4.32Å; L172-L269 HydrophobicContact CD2-CD2 3.45Å; L172-L269 VanDerWaalsContact CD2-CD2 3.45Å; L172-L402 HydrophobicContact CD1-CD2 4Å; L172-I426 HydrophobicContact CB-CD1 4.31Å; L172-I426 HydrophobicContact CD1-CD1 4.03Å
173	H	94.1	Very high	92.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-41.4	175.3	-89.4	-110.7	0	0	0	111.9	I169 Q175 N177 W178 I211 Y241	I169-H173 PolarHBondContact O-CD2 3.22Å; I169-H173 VanDerWaalsContact O-CD2 3.28Å; I169-H173 PolarHBondContact O-N 2.96Å; H173-Q175 VanDerWaalsContact C-N 3.34Å; H173-Q175 PolarHBondContact O-N 3.22Å; H173-N177 WeakPolarHBondContact O-CA 3.26Å; H173-N177 PolarHBondContact O-N 3.37Å; H173-W178 HydrophobicContact CB-CB 4.44Å; H173-W178 WeakPolarHBondContact ND1-CB 3.32Å; H173-W178 PolarHBondContact ND1-O 2.87Å; H173-W178 PolarHBondContact O-N 3.35Å; H173-I211 HydrophobicContact CB-CD1 3.86Å; H173-Y241 PolarHBondContact CD2-OH 3.05Å; H173-Y241 AromaticContact NE2-CE2 3.7Å; H173-Y241 AromaticContact NE2-CZ 3.64Å; H173-Y241 PolarHBondContact NE2-OH 3.43Å
174	T	92.4	Very high	93.1	Very high	108 Å²	108	29.8 Å²	29.8	66%	0.663	16%	0.162	S	C	*	.	H	α-helix	trans	-63.4	-41.3	176.2	-56.3	0	0	0	0	111.2	N170 A171 L172	N170-T174 WeakPolarHBondContact O-CB 3.45Å; N170-T174 PolarHBondContact O-N 3.08Å; N170-T174 PolarHBondContact O-OG1 2.86Å; A171-T174 PolarHBondContact O-N 3.09Å; L172-T174 VanDerWaalsContact C-N 3.31Å; L172-T174 PolarHBondContact O-N 2.8Å
175	Q	92.3	Very high	93.3	Very high	111 Å²	111	29.2 Å²	29.2	52%	0.519	16%	0.16	S	C	.	.	H	α-helix	trans	-67.4	-38.6	-179.1	-174.5	66	24.5	0	0	113.2	A171 L172 H173 W428	A171-Q175 WeakPolarHBondContact O-CB 3.46Å; A171-Q175 PolarHBondContact O-N 3.06Å; L172-Q175 PolarHBondContact O-N 3.48Å; H173-Q175 VanDerWaalsContact C-N 3.34Å; H173-Q175 PolarHBondContact O-N 3.22Å; Q175-W428 HydrophobicContact CG-CZ2 3.82Å
176	F	92.6	Very high	93.3	Very high	34 Å²	34	29.9 Å²	29.9	15%	0.149	16%	0.163	C	C	.	.	H	α-helix	trans	-96.8	3.9	-179.9	-62.7	-56.4	0	0	0	114.2	L172 W178 W428 I434 W436 P441	L172-F176 HydrophobicContact CD1-CD2 4.05Å; L172-F176 HydrophobicContact CD1-CE2 3.51Å; L172-F176 HydrophobicContact CG-CD2 3.98Å; L172-F176 HydrophobicContact CG-CE2 3.92Å; L172-F176 WeakPolarHBondContact O-CD2 3.39Å; L172-F176 PolarHBondContact O-N 3.16Å; F176-W178 VanDerWaalsContact C-N 3.29Å; F176-W178 HydrophobicContact CB-CD2 3.7Å; F176-W178 VanDerWaalsContact CB-CE2 3.49Å; F176-W178 HydrophobicContact CB-CE3 4.13Å; F176-W178 HydrophobicContact CB-CG 4.16Å; F176-W178 HydrophobicContact CB-CH2 4.2Å; F176-W178 HydrophobicContact CB-CZ2 3.77Å; F176-W178 HydrophobicContact CB-CZ3 4.37Å; F176-W178 HydrophobicContact CD2-CE3 4.22Å; F176-W178 AromaticContact CD2-CH2 3.49Å; F176-W178 HydrophobicContact CD2-CH2 3.49Å; F176-W178 VanDerWaalsContact CD2-CH2 3.49Å; F176-W178 AromaticContact CD2-CZ2 3.86Å; F176-W178 HydrophobicContact CD2-CZ2 3.86Å; F176-W178 AromaticContact CD2-CZ3 3.7Å; F176-W178 HydrophobicContact CD2-CZ3 3.7Å; F176-W178 HydrophobicContact CE2-CH2 4.12Å; F176-W178 HydrophobicContact CE2-CZ3 4.48Å; F176-W178 HydrophobicContact CG-CH2 4.06Å; F176-W178 AromaticContact CG-CZ2 3.94Å; F176-W178 HydrophobicContact CG-CZ2 3.94Å; F176-W178 HydrophobicContact CG-CZ3 4.43Å; F176-W178 PolarHBondContact O-N 3.04Å; F176-W428 HydrophobicContact CE1-CH2 4.47Å; F176-W428 HydrophobicContact CE2-CH2 4.29Å; F176-W428 AromaticContact CZ-CH2 3.64Å; F176-W428 HydrophobicContact CZ-CH2 3.64Å; F176-W428 HydrophobicContact CZ-CZ2 4.17Å; F176-I434 HydrophobicContact CZ-CD1 3.74Å; F176-W436 HydrophobicContact CD1-CZ2 4.35Å; F176-W436 AromaticContact CE1-CZ2 3.89Å; F176-W436 HydrophobicContact CE1-CZ2 3.89Å; F176-W436 HydrophobicContact CE2-CZ2 4.39Å; F176-W436 AromaticContact CZ-CZ2 3.91Å; F176-W436 HydrophobicContact CZ-CZ2 3.91Å; F176-P441 HydrophobicContact CB-CB 4.43Å; F176-P441 HydrophobicContact CD1-CB 3.96Å; F176-P441 HydrophobicContact CD1-CG 4.09Å; F176-P441 HydrophobicContact CG-CB 4.37Å
177	N	92.4	Very high	93.4	Very high	121 Å²	121	31 Å²	31	65%	0.647	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	35.5	-178.8	-162.9	39.6	0	0	0	114	H173 T179	H173-N177 WeakPolarHBondContact O-CA 3.26Å; H173-N177 PolarHBondContact O-N 3.37Å; N177-T179 PolarHBondContact O-N 3.03Å
178	W	94.1	Very high	93.3	Very high	5 Å²	5	30.6 Å²	30.6	2%	0.019	17%	0.165	C	C	.	.			trans	-86.6	103	175.2	-61.4	-30	0	0	0	110.3	L172 H173 F176 I239 A267 W436 P441 P442 D444	L172-W178 HydrophobicContact CD2-CZ3 4.25Å; L172-W178 HydrophobicContact CG-CZ3 4.32Å; H173-W178 HydrophobicContact CB-CB 4.44Å; H173-W178 WeakPolarHBondContact ND1-CB 3.32Å; H173-W178 PolarHBondContact ND1-O 2.87Å; H173-W178 PolarHBondContact O-N 3.35Å; F176-W178 VanDerWaalsContact C-N 3.29Å; F176-W178 HydrophobicContact CB-CD2 3.7Å; F176-W178 VanDerWaalsContact CB-CE2 3.49Å; F176-W178 HydrophobicContact CB-CE3 4.13Å; F176-W178 HydrophobicContact CB-CG 4.16Å; F176-W178 HydrophobicContact CB-CH2 4.2Å; F176-W178 HydrophobicContact CB-CZ2 3.77Å; F176-W178 HydrophobicContact CB-CZ3 4.37Å; F176-W178 HydrophobicContact CD2-CE3 4.22Å; F176-W178 AromaticContact CD2-CH2 3.49Å; F176-W178 HydrophobicContact CD2-CH2 3.49Å; F176-W178 VanDerWaalsContact CD2-CH2 3.49Å; F176-W178 AromaticContact CD2-CZ2 3.86Å; F176-W178 HydrophobicContact CD2-CZ2 3.86Å; F176-W178 AromaticContact CD2-CZ3 3.7Å; F176-W178 HydrophobicContact CD2-CZ3 3.7Å; F176-W178 HydrophobicContact CE2-CH2 4.12Å; F176-W178 HydrophobicContact CE2-CZ3 4.48Å; F176-W178 HydrophobicContact CG-CH2 4.06Å; F176-W178 AromaticContact CG-CZ2 3.94Å; F176-W178 HydrophobicContact CG-CZ2 3.94Å; F176-W178 HydrophobicContact CG-CZ3 4.43Å; F176-W178 PolarHBondContact O-N 3.04Å; W178-I239 HydrophobicContact CD2-CD1 3.76Å; W178-I239 HydrophobicContact CD2-CG1 3.89Å; W178-I239 HydrophobicContact CD2-CG2 4.32Å; W178-I239 HydrophobicContact CE3-CD1 4.3Å; W178-I239 HydrophobicContact CE3-CG1 4.3Å; W178-I239 HydrophobicContact CE3-CG2 3.85Å; W178-I239 HydrophobicContact CG-CD1 4.17Å; W178-I239 HydrophobicContact CG-CG1 4.02Å; W178-I239 HydrophobicContact CH2-CD1 4.23Å; W178-I239 HydrophobicContact CZ2-CD1 3.66Å; W178-I239 HydrophobicContact CZ3-CG2 3.96Å; W178-A267 HydrophobicContact CH2-CB 4.09Å; W178-A267 HydrophobicContact CZ2-CB 4.18Å; W178-W436 HydrophobicContact CH2-CH2 4.28Å; W178-W436 HydrophobicContact CZ2-CH2 4.15Å; W178-P441 HydrophobicContact CZ2-CB 4.27Å; W178-P442 PolarHBondContact NE1-O 3.45Å; W178-D444 WeakPolarHBondContact CA-OD2 3.13Å; W178-D444 HydrophobicContact CB-CB 4.11Å; W178-D444 HydrophobicContact CG-CB 4.19Å
179	T	90.4	Very high	92.9	Very high	74 Å²	74	34 Å²	34	45%	0.454	18%	0.181	S	C	.	.			trans	-126.2	-8.8	-167.1	52.9	0	0	0	0	114.6	N177 D444	N177-T179 PolarHBondContact O-N 3.03Å; T179-D444 PolarHBondContact N-OD2 3.41Å
180	S	89.8	Confident	92.3	Very high	43 Å²	43	43.3 Å²	43.3	30%	0.301	22%	0.216	S	C	.	.	S	Bend	trans	-108.1	-58.7	-167.7	-60.4	0	0	0	0	112.9	T214 D444	S180-T214 WeakPolarHBondContact O-CB 3.32Å; S180-T214 PolarHBondContact O-N 2.93Å; S180-T214 PolarHBondContact O-OG1 2.9Å; S180-D444 WeakPolarHBondContact CA-OD2 3.35Å; S180-D444 VanDerWaalsContact CB-OD2 3.31Å; S180-D444 WeakPolarHBondContact CB-OD2 3.47Å; S180-D444 PolarHBondContact N-OD2 3.32Å
181	R	91.2	Very high	91.5	Very high	57 Å²	57	50 Å²	50	22%	0.215	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.6	-170.8	-70.2	-175.4	176.1	-139.3	4.1	113.6	T214	R181-T214 WeakPolarHBondContact CA-O 3.38Å
182	A	94.6	Very high	91	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.8	170.5	0	0	0	0	0	110.8	L207 V213 T214 V215 E216 I239 Y241	A182-L207 HydrophobicContact CB-CD1 4.04Å; A182-V213 HydrophobicContact CB-CG1 4.16Å; A182-T214 PolarHBondContact N-O 2.86Å; A182-V215 WeakPolarHBondContact O-CA 3.49Å; A182-E216 PolarHBondContact O-N 3.11Å; A182-I239 WeakPolarHBondContact CA-O 3.32Å; A182-Y241 HydrophobicContact CB-CE2 4.3Å
183	V	95.4	Very high	90.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.5	178.4	-178.2	0	0	0	0	109.2	I185 E216 F232 I239 I240 Y241	V183-I185 HydrophobicContact CG1-CD1 4.31Å; V183-I185 HydrophobicContact CG1-CG1 4.06Å; V183-E216 CarbonylContact C-O 3.59Å; V183-E216 WeakPolarHBondContact CA-O 3.47Å; V183-F232 HydrophobicContact CG1-CD1 4.23Å; V183-F232 HydrophobicContact CG1-CE1 3.46Å; V183-F232 VanDerWaalsContact CG1-CE1 3.46Å; V183-F232 HydrophobicContact CG1-CZ 4.12Å; V183-I239 PolarHBondContact N-O 2.99Å; V183-I240 HydrophobicContact CB-CD1 3.59Å; V183-I240 HydrophobicContact CB-CG2 4.49Å; V183-I240 HydrophobicContact CG1-CD1 4.28Å; V183-I240 HydrophobicContact CG2-CD1 3.72Å; V183-I240 CarbonylContact O-C 3.23Å; V183-I240 WeakPolarHBondContact O-CA 3.37Å; V183-Y241 PolarHBondContact O-N 2.94Å
184	V	96.2	Very high	90.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.6	177	-176.3	0	0	0	0	109.6	I203 V215 E216 A217 R218 Y241	V184-I203 HydrophobicContact CG2-CG2 4.09Å; V184-V215 HydrophobicContact CB-CG1 4.45Å; V184-V215 HydrophobicContact CG2-CG1 3.61Å; V184-E216 PolarHBondContact N-O 2.81Å; V184-A217 HydrophobicContact CB-CB 4.43Å; V184-A217 CarbonylContact O-C 3.57Å; V184-A217 WeakPolarHBondContact O-CA 3.3Å; V184-R218 PolarHBondContact O-N 2.9Å; V184-Y241 HydrophobicContact CG2-CD2 4.32Å
185	I	95.3	Very high	90.2	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129	-179.7	-67.6	173.3	0	0	0	107.7	V183 R218 Y220 L229 F232 I233 I240 Y241 I242 C243	V183-I185 HydrophobicContact CG1-CD1 4.31Å; V183-I185 HydrophobicContact CG1-CG1 4.06Å; I185-R218 WeakPolarHBondContact CA-O 3.49Å; I185-Y220 HydrophobicContact CG2-CD1 3.58Å; I185-Y220 HydrophobicContact CG2-CE1 3.63Å; I185-L229 HydrophobicContact CD1-CD1 3.92Å; I185-L229 HydrophobicContact CD1-CG 4.11Å; I185-L229 HydrophobicContact CG1-CD1 4.1Å; I185-L229 HydrophobicContact CG2-CD1 3.84Å; I185-L229 HydrophobicContact CG2-CD2 3.82Å; I185-L229 HydrophobicContact CG2-CG 4.22Å; I185-F232 HydrophobicContact CG1-CE1 4.43Å; I185-I233 HydrophobicContact CD1-CD1 3.56Å; I185-I233 HydrophobicContact CD1-CG1 3.31Å; I185-I240 HydrophobicContact CD1-CG2 3.93Å; I185-Y241 PolarHBondContact N-O 3.36Å; I185-I242 HydrophobicContact CB-CG1 4.35Å; I185-I242 HydrophobicContact CG2-CG2 4.39Å; I185-I242 CarbonylContact O-C 3.59Å; I185-I242 WeakPolarHBondContact O-CA 3.39Å; I185-C243 PolarHBondContact O-N 3.41Å
186	F	94.6	Very high	90.3	Very high	17 Å²	17	46.4 Å²	46.4	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	143.5	-176	63.9	-87.8	0	0	0	113.6	D188 Y197 S200 A217 R218 P219 Y220 C243	F186-D188 HydrophobicContact CD2-CB 4.09Å; F186-D188 HydrophobicContact CE2-CB 3.9Å; F186-Y197 HydrophobicContact CD2-CD2 4.13Å; F186-Y197 AromaticContact CE2-CD2 3.56Å; F186-Y197 HydrophobicContact CE2-CD2 3.56Å; F186-Y197 HydrophobicContact CE2-CE2 4.37Å; F186-Y197 HydrophobicContact CE2-CG 4.48Å; F186-Y197 HydrophobicContact CZ-CD2 4.06Å; F186-Y197 HydrophobicContact CZ-CE2 4.48Å; F186-S200 WeakPolarHBondContact CD1-OG 3.45Å; F186-S200 VanDerWaalsContact CG-OG 3.24Å; F186-S200 WeakPolarHBondContact CG-OG 3.28Å; F186-A217 HydrophobicContact CE1-CB 4.29Å; F186-R218 PolarHBondContact N-O 3.49Å; F186-P219 HydrophobicContact CD2-CB 4.28Å; F186-P219 HydrophobicContact CE1-CB 4.39Å; F186-P219 HydrophobicContact CE2-CB 3.61Å; F186-P219 HydrophobicContact CZ-CB 3.69Å; F186-P219 HydrophobicContact CZ-CG 4.28Å; F186-P219 CarbonylContact O-C 3.59Å; F186-P219 VanDerWaalsContact O-CA 3.26Å; F186-P219 WeakPolarHBondContact O-CA 3.27Å; F186-Y220 VanDerWaalsContact C-CD1 3.45Å; F186-Y220 WeakPolarHBondContact O-CD1 3.41Å; F186-Y220 PolarHBondContact O-N 3.29Å; F186-C243 CarbonylContact C-O 3.51Å; F186-C243 VanDerWaalsContact CA-O 3.23Å; F186-C243 WeakPolarHBondContact CA-O 3.48Å; F186-C243 HydrophobicContact CB-CB 4.01Å
187	Y	93.8	Very high	90.4	Very high	22 Å²	22	47.9 Å²	47.9	9%	0.086	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128	172.4	-177.2	-100.6	0	0	0	110	Q189 H196 Y220 K222 C243 P245	Y187-Q189 HydrophobicContact CD1-CB 4.42Å; Y187-Q189 HydrophobicContact CE1-CB 3.63Å; Y187-Q189 PolarHBondContact OH-OE1 3.29Å; Y187-H196 AromaticContact CD1-CD2 3.93Å; Y187-H196 WeakPolarHBondContact O-CB 3.43Å; Y187-Y220 WeakPolarHBondContact CA-O 3.49Å; Y187-Y220 HydrophobicContact CD2-CD2 4.07Å; Y187-Y220 AromaticContact CD2-CE2 3.69Å; Y187-Y220 HydrophobicContact CD2-CE2 3.69Å; Y187-Y220 HydrophobicContact CG-CE2 4.41Å; Y187-K222 HydrophobicContact CE2-CB 4.07Å; Y187-C243 PolarHBondContact N-O 2.88Å; Y187-P245 HydrophobicContact CD1-CG 4.15Å; Y187-P245 HydrophobicContact CD2-CG 4.48Å; Y187-P245 HydrophobicContact CE1-CG 4.35Å; Y187-P245 HydrophobicContact CG-CG 4.21Å
188	D	90.5	Very high	90.4	Very high	13 Å²	13	42.9 Å²	42.9	7%	0.07	20%	0.201	C	C	.	.			trans	-128.4	97.9	-178.1	-169.9	13.2	0	0	0	113	F186 R194 P219 Y220 Q221	F186-D188 HydrophobicContact CD2-CB 4.09Å; F186-D188 HydrophobicContact CE2-CB 3.9Å; D188-R194 VanDerWaalsContact CG-NH2 3.26Å; D188-R194 IonicContact OD1-CZ 2.75Å; D188-R194 VanDerWaalsContact OD1-CZ 3.27Å; D188-R194 IonicContact OD1-NE 2.62Å; D188-R194 PolarHBondContact OD1-NE 3.14Å; D188-R194 IonicContact OD1-NH2 2.74Å; D188-R194 PolarHBondContact OD1-NH2 2.81Å; D188-R194 IonicContact OD2-CZ 3.56Å; D188-R194 IonicContact OD2-NE 2.65Å; D188-R194 IonicContact OD2-NH2 2.57Å; D188-R194 PolarHBondContact OD2-NH2 3.29Å; D188-P219 HydrophobicContact CB-CB 4.07Å; D188-Y220 PolarHBondContact N-O 3.02Å; D188-Q221 WeakPolarHBondContact O-CG 3.16Å; D188-Q221 PolarHBondContact O-NE2 3.31Å
189	Q	85.6	Confident	90.4	Very high	72 Å²	72	43.2 Å²	43.2	34%	0.336	20%	0.203	S	C	.	.			trans	-104.8	103.7	174.3	-178	166.6	-7.3	0	0	110.3	Y187 Q191 D192 R194	Y187-Q189 HydrophobicContact CD1-CB 4.42Å; Y187-Q189 HydrophobicContact CE1-CB 3.63Å; Y187-Q189 PolarHBondContact OH-OE1 3.29Å; Q189-Q191 PolarHBondContact O-N 3.14Å; Q189-D192 PolarHBondContact O-N 3.06Å; Q189-R194 WeakPolarHBondContact O-CG 3.28Å
190	R	81.5	Confident	90.6	Very high	194 Å²	194	39.9 Å²	39.9	73%	0.732	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.8	-172.8	-63.1	-175.4	-178.9	178.8	1.3	115.2
191	Q	77.2	Confident	90.8	Very high	153 Å²	153	39.9 Å²	39.9	72%	0.715	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-6.2	179.6	-57.1	88.5	-1	0	0	114.1	Q189	Q189-Q191 PolarHBondContact O-N 3.14Å
192	D	82.4	Confident	90.8	Very high	34 Å²	34	37.1 Å²	37.1	18%	0.182	17%	0.168	C	C	.	.	S	Bend	trans	-107.3	-171.2	175.6	74	4.7	0	0	0	112.1	M46 Q189 R194	M46-D192 HydrophobicContact CE-CB 4.39Å; Q189-D192 PolarHBondContact O-N 3.06Å; D192-R194 PolarHBondContact O-N 3.4Å; D192-R194 WeakPolarHBondContact OD1-CA 3.36Å; D192-R194 WeakPolarHBondContact OD1-CG 3.5Å; D192-R194 PolarHBondContact OD1-N 3.37Å
193	D	85.4	Confident	90.7	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.053	17%	0.167	C	C	.	.			trans	-76.9	8.3	176.5	-162.5	49.7	0	0	0	113	C118 V119 Y120 F198	C118-D193 WeakPolarHBondContact CA-OD2 3.41Å; C118-D193 HydrophobicContact CB-CB 4.49Å; C118-D193 WeakPolarHBondContact CB-OD1 3.3Å; C118-D193 WeakPolarHBondContact CB-OD2 3.44Å; V119-D193 PolarHBondContact N-OD1 3.44Å; V119-D193 PolarHBondContact N-OD2 2.87Å; Y120-D193 PolarHBondContact N-OD1 2.86Å; D193-F198 WeakPolarHBondContact O-CD2 3.46Å; D193-F198 WeakPolarHBondContact O-CE2 3.48Å
194	R	90.4	Very high	90.6	Very high	33 Å²	33	40.1 Å²	40.1	13%	0.125	18%	0.179	C	C	.	.			trans	47.2	51.8	178.1	-57.4	171.3	75.2	-142.7	-1.8	113.6	Y120 D188 Q189 D192 H196 Y197 F198	Y120-R194 HydrophobicContact CE2-CG 4.5Å; Y120-R194 WeakPolarHBondContact OH-CD 3.44Å; Y120-R194 PolarHBondContact OH-NH1 2.67Å; D188-R194 VanDerWaalsContact CG-NH2 3.26Å; D188-R194 IonicContact OD1-CZ 2.75Å; D188-R194 VanDerWaalsContact OD1-CZ 3.27Å; D188-R194 IonicContact OD1-NE 2.62Å; D188-R194 PolarHBondContact OD1-NE 3.14Å; D188-R194 IonicContact OD1-NH2 2.74Å; D188-R194 PolarHBondContact OD1-NH2 2.81Å; D188-R194 IonicContact OD2-CZ 3.56Å; D188-R194 IonicContact OD2-NE 2.65Å; D188-R194 IonicContact OD2-NH2 2.57Å; D188-R194 PolarHBondContact OD2-NH2 3.29Å; Q189-R194 WeakPolarHBondContact O-CG 3.28Å; D192-R194 PolarHBondContact O-N 3.4Å; D192-R194 WeakPolarHBondContact OD1-CA 3.36Å; D192-R194 WeakPolarHBondContact OD1-CG 3.5Å; D192-R194 PolarHBondContact OD1-N 3.37Å; R194-H196 VanDerWaalsContact C-N 3.32Å; R194-H196 PolarHBondContact O-N 3.05Å; R194-Y197 WeakPolarHBondContact O-CB 3.34Å; R194-Y197 PolarHBondContact O-N 3.27Å; R194-Y197 VanDerWaalsContact O-N 3.17Å; R194-F198 HydrophobicContact CB-CD2 4.35Å; R194-F198 HydrophobicContact CB-CE2 4.16Å; R194-F198 WeakPolarHBondContact O-CD2 3.44Å; R194-F198 PolarHBondContact O-N 3.38Å; R194-F198 VanDerWaalsContact O-N 3.14Å
195	P	89.5	Confident	90.5	Very high	55 Å²	55	41.8 Å²	41.8	36%	0.357	19%	0.188	S	C	.	.	H	α-helix	trans	-59.5	-41.5	-173.1	24.1	-34	0	0	0	112.6	F198 L199	P195-F198 PolarHBondContact O-N 3.25Å; P195-L199 WeakPolarHBondContact O-CG 3.25Å; P195-L199 PolarHBondContact O-N 3.45Å
196	H	93	Very high	90.3	Very high	37 Å²	37	42 Å²	42	17%	0.171	19%	0.189	C	C	.	.	H	α-helix	trans	-71.6	-32	-179.4	-56.4	-62.9	0	0	0	113	Y187 R194 S200 C243 G244	Y187-H196 AromaticContact CD1-CD2 3.93Å; Y187-H196 WeakPolarHBondContact O-CB 3.43Å; R194-H196 VanDerWaalsContact C-N 3.32Å; R194-H196 PolarHBondContact O-N 3.05Å; H196-S200 WeakPolarHBondContact O-CB 3.39Å; H196-S200 PolarHBondContact O-N 2.96Å; H196-S200 PolarHBondContact O-OG 3Å; H196-C243 HydrophobicContact CB-CB 4Å; H196-G244 PolarHBondContact CE1-O 3.42Å; H196-G244 WeakPolarHBondContact ND1-CA 3.48Å; H196-G244 PolarHBondContact ND1-N 2.94Å
197	Y	94.4	Very high	90.1	Very high	65 Å²	65	41.1 Å²	41.1	26%	0.255	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-50.9	171.6	170	-103.8	0	0	0	110.7	F186 R194 L199 S200 E201	F186-Y197 HydrophobicContact CD2-CD2 4.13Å; F186-Y197 AromaticContact CE2-CD2 3.56Å; F186-Y197 HydrophobicContact CE2-CD2 3.56Å; F186-Y197 HydrophobicContact CE2-CE2 4.37Å; F186-Y197 HydrophobicContact CE2-CG 4.48Å; F186-Y197 HydrophobicContact CZ-CD2 4.06Å; F186-Y197 HydrophobicContact CZ-CE2 4.48Å; R194-Y197 WeakPolarHBondContact O-CB 3.34Å; R194-Y197 PolarHBondContact O-N 3.27Å; R194-Y197 VanDerWaalsContact O-N 3.17Å; Y197-L199 VanDerWaalsContact C-N 3.33Å; Y197-L199 PolarHBondContact O-N 3.06Å; Y197-S200 CarbonylContact O-C 3.53Å; Y197-S200 PolarHBondContact O-N 2.94Å; Y197-S200 VanDerWaalsContact O-N 3.1Å; Y197-S200 PolarHBondContact O-OG 3.47Å; Y197-E201 WeakPolarHBondContact O-CB 3.29Å; Y197-E201 PolarHBondContact O-N 3.48Å
198	F	94.1	Very high	90	Very high	16 Å²	16	44.9 Å²	44.9	7%	0.07	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-34.6	-178.1	-70.3	-63.5	0	0	0	112.8	V119 Y120 A143 T162 D193 R194 P195 E201 G202	V119-F198 HydrophobicContact CB-CD2 4.11Å; V119-F198 HydrophobicContact CB-CE2 3.71Å; V119-F198 HydrophobicContact CB-CZ 4.06Å; V119-F198 HydrophobicContact CG1-CD1 4.39Å; V119-F198 HydrophobicContact CG1-CD2 4.22Å; V119-F198 HydrophobicContact CG1-CE1 3.86Å; V119-F198 HydrophobicContact CG1-CE2 3.66Å; V119-F198 HydrophobicContact CG1-CZ 3.46Å; V119-F198 VanDerWaalsContact CG1-CZ 3.46Å; V119-F198 HydrophobicContact CG2-CD2 3.72Å; V119-F198 HydrophobicContact CG2-CE2 3.88Å; V119-F198 HydrophobicContact CG2-CG 4.19Å; V119-F198 HydrophobicContact CG2-CZ 4.47Å; Y120-F198 HydrophobicContact CE2-CE2 4.19Å; Y120-F198 HydrophobicContact CE2-CZ 4.43Å; A143-F198 HydrophobicContact CB-CB 4.38Å; A143-F198 HydrophobicContact CB-CD1 3.49Å; A143-F198 VanDerWaalsContact CB-CD1 3.49Å; A143-F198 HydrophobicContact CB-CE1 3.91Å; A143-F198 HydrophobicContact CB-CG 3.99Å; T162-F198 VanDerWaalsContact CG2-O 3.3Å; T162-F198 WeakPolarHBondContact CG2-O 3.42Å; D193-F198 WeakPolarHBondContact O-CD2 3.46Å; D193-F198 WeakPolarHBondContact O-CE2 3.48Å; R194-F198 HydrophobicContact CB-CD2 4.35Å; R194-F198 HydrophobicContact CB-CE2 4.16Å; R194-F198 WeakPolarHBondContact O-CD2 3.44Å; R194-F198 PolarHBondContact O-N 3.38Å; R194-F198 VanDerWaalsContact O-N 3.14Å; P195-F198 PolarHBondContact O-N 3.25Å; F198-E201 PolarHBondContact O-N 3.37Å; F198-G202 PolarHBondContact O-N 3.43Å
199	L	92.8	Very high	89.8	Confident	11 Å²	11	50 Å²	50	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-57	-53.4	168.2	-73.7	172.1	0	0	0	110.5	T162 I165 P195 Y197 E201 G202 I203 V273	T162-L199 HydrophobicContact CG2-CD2 4.04Å; I165-L199 HydrophobicContact CD1-CD2 3.59Å; P195-L199 WeakPolarHBondContact O-CG 3.25Å; P195-L199 PolarHBondContact O-N 3.45Å; Y197-L199 VanDerWaalsContact C-N 3.33Å; Y197-L199 PolarHBondContact O-N 3.06Å; L199-E201 VanDerWaalsContact C-N 3.32Å; L199-E201 PolarHBondContact O-N 3.26Å; L199-G202 PolarHBondContact O-N 3.3Å; L199-I203 WeakPolarHBondContact O-CG1 3.27Å; L199-I203 PolarHBondContact O-N 2.76Å; L199-V273 HydrophobicContact CD1-CG1 4.19Å; L199-V273 HydrophobicContact CD1-CG2 4.34Å; L199-V273 HydrophobicContact CD2-CG1 3.97Å
200	S	94.6	Very high	89.7	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.028	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-35	-179.8	77.6	0	0	0	0	113.8	F186 H196 Y197 I203 Y204	F186-S200 WeakPolarHBondContact CD1-OG 3.45Å; F186-S200 VanDerWaalsContact CG-OG 3.24Å; F186-S200 WeakPolarHBondContact CG-OG 3.28Å; H196-S200 WeakPolarHBondContact O-CB 3.39Å; H196-S200 PolarHBondContact O-N 2.96Å; H196-S200 PolarHBondContact O-OG 3Å; Y197-S200 CarbonylContact O-C 3.53Å; Y197-S200 PolarHBondContact O-N 2.94Å; Y197-S200 VanDerWaalsContact O-N 3.1Å; Y197-S200 PolarHBondContact O-OG 3.47Å; S200-I203 PolarHBondContact O-N 2.81Å; S200-Y204 VanDerWaalsContact O-CB 3.26Å; S200-Y204 WeakPolarHBondContact O-CB 3.48Å; S200-Y204 PolarHBondContact O-N 3.04Å
201	E	94.3	Very high	89.8	Confident	43 Å²	43	44.9 Å²	44.9	20%	0.201	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-46.2	176	177.2	-170.4	-121.4	0	0	110.5	Y144 Y197 F198 L199 I203 Y204 L205	Y144-E201 PolarHBondContact N-OE2 2.98Å; Y197-E201 WeakPolarHBondContact O-CB 3.29Å; Y197-E201 PolarHBondContact O-N 3.48Å; F198-E201 PolarHBondContact O-N 3.37Å; L199-E201 VanDerWaalsContact C-N 3.32Å; L199-E201 PolarHBondContact O-N 3.26Å; E201-I203 VanDerWaalsContact C-N 3.34Å; E201-I203 PolarHBondContact O-N 3.4Å; E201-Y204 PolarHBondContact O-N 3.27Å; E201-L205 HydrophobicContact CG-CD1 3.7Å; E201-L205 HydrophobicContact CG-CG 4.27Å; E201-L205 WeakPolarHBondContact O-CB 3.43Å; E201-L205 WeakPolarHBondContact O-CG 3.16Å; E201-L205 PolarHBondContact O-N 3.5Å
202	G	90.7	Very high	90.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-45.3	177.4	0	0	0	0	0	112	F198 L199 N206	F198-G202 PolarHBondContact O-N 3.43Å; L199-G202 PolarHBondContact O-N 3.3Å; G202-N206 WeakPolarHBondContact O-CB 3.39Å; G202-N206 PolarHBondContact O-N 2.92Å; G202-N206 VanDerWaalsContact O-N 3.12Å; G202-N206 PolarHBondContact O-ND2 3.11Å
203	I	93.2	Very high	90.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-51.2	176.4	-52.2	179	0	0	0	110.7	I169 V184 L199 S200 E201 L205 N206 L207 Y241 L271	I169-I203 HydrophobicContact CD1-CB 3.99Å; I169-I203 HydrophobicContact CD1-CD1 3.78Å; I169-I203 HydrophobicContact CD1-CG1 3.43Å; I169-I203 VanDerWaalsContact CD1-CG1 3.43Å; I169-I203 HydrophobicContact CD1-CG2 3.64Å; I169-I203 HydrophobicContact CG2-CG2 4.38Å; V184-I203 HydrophobicContact CG2-CG2 4.09Å; L199-I203 WeakPolarHBondContact O-CG1 3.27Å; L199-I203 PolarHBondContact O-N 2.76Å; S200-I203 PolarHBondContact O-N 2.81Å; E201-I203 VanDerWaalsContact C-N 3.34Å; E201-I203 PolarHBondContact O-N 3.4Å; I203-L205 PolarHBondContact O-N 3.32Å; I203-N206 PolarHBondContact O-N 3.32Å; I203-L207 HydrophobicContact CG2-CD1 3.71Å; I203-L207 HydrophobicContact CG2-CG 4.25Å; I203-L207 WeakPolarHBondContact O-CB 3.45Å; I203-L207 WeakPolarHBondContact O-CG 3.49Å; I203-L207 PolarHBondContact O-N 3.43Å; I203-Y241 HydrophobicContact CD1-CD1 4.17Å; I203-Y241 HydrophobicContact CD1-CG 4.28Å; I203-Y241 HydrophobicContact CG2-CD1 4.48Å; I203-Y241 HydrophobicContact CG2-CD2 4.24Å; I203-Y241 HydrophobicContact CG2-CG 4.23Å; I203-L271 HydrophobicContact CD1-CD1 3.65Å; I203-L271 HydrophobicContact CD1-CD2 3.47Å; I203-L271 VanDerWaalsContact CD1-CD2 3.47Å; I203-L271 HydrophobicContact CD1-CG 4.2Å; I203-L271 HydrophobicContact CG1-CD2 4.28Å
204	Y	94.3	Very high	91	Very high	64 Å²	64	46 Å²	46	25%	0.251	23%	0.225	S	C	.	.	H	α-helix	trans	-58.5	-48.3	-175.8	178.4	-92	0	0	0	111.6	S200 E201 K208 V215 A217	S200-Y204 VanDerWaalsContact O-CB 3.26Å; S200-Y204 WeakPolarHBondContact O-CB 3.48Å; S200-Y204 PolarHBondContact O-N 3.04Å; E201-Y204 PolarHBondContact O-N 3.27Å; Y204-K208 HydrophobicContact CE1-CD 3.77Å; Y204-K208 WeakPolarHBondContact O-CB 3.47Å; Y204-K208 PolarHBondContact O-N 2.9Å; Y204-K208 PolarHBondContact OH-NZ 2.89Å; Y204-V215 HydrophobicContact CD2-CB 3.9Å; Y204-V215 HydrophobicContact CD2-CG1 3.58Å; Y204-V215 HydrophobicContact CE2-CB 3.93Å; Y204-V215 HydrophobicContact CE2-CG1 4.04Å; Y204-V215 WeakPolarHBondContact CE2-O 3.28Å; Y204-A217 HydrophobicContact CD2-CB 3.99Å; Y204-A217 HydrophobicContact CE2-CB 4.18Å
205	L	92.5	Very high	91.1	Very high	34 Å²	34	45.1 Å²	45.1	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-41.8	-178.4	-68.3	175.9	0	0	0	111.6	Y144 E201 I203 K208 Q209	Y144-L205 HydrophobicContact CD1-CD1 3.47Å; Y144-L205 VanDerWaalsContact CD1-CD1 3.47Å; Y144-L205 HydrophobicContact CD2-CB 4.09Å; Y144-L205 HydrophobicContact CD2-CD1 3.96Å; Y144-L205 HydrophobicContact CE1-CD1 3.91Å; Y144-L205 HydrophobicContact CE2-CB 3.95Å; Y144-L205 HydrophobicContact CE2-CD1 4.34Å; Y144-L205 HydrophobicContact CG-CD1 3.52Å; E201-L205 HydrophobicContact CG-CD1 3.7Å; E201-L205 HydrophobicContact CG-CG 4.27Å; E201-L205 WeakPolarHBondContact O-CB 3.43Å; E201-L205 WeakPolarHBondContact O-CG 3.16Å; E201-L205 PolarHBondContact O-N 3.5Å; I203-L205 PolarHBondContact O-N 3.32Å; L205-K208 PolarHBondContact O-N 2.92Å; L205-Q209 WeakPolarHBondContact O-CB 3.17Å; L205-Q209 VanDerWaalsContact O-CG 3.3Å; L205-Q209 WeakPolarHBondContact O-CG 3.47Å; L205-Q209 PolarHBondContact O-N 3.27Å
206	N	91	Very high	91.3	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-47.1	178.6	-80.1	-70.9	0	0	0	112.2	G202 I203 K208 E210	G202-N206 WeakPolarHBondContact O-CB 3.39Å; G202-N206 PolarHBondContact O-N 2.92Å; G202-N206 VanDerWaalsContact O-N 3.12Å; G202-N206 PolarHBondContact O-ND2 3.11Å; I203-N206 PolarHBondContact O-N 3.32Å; N206-K208 VanDerWaalsContact C-N 3.32Å; N206-K208 PolarHBondContact O-N 2.85Å; N206-E210 VanDerWaalsContact O-CB 3.3Å; N206-E210 WeakPolarHBondContact O-CB 3.19Å; N206-E210 PolarHBondContact O-N 2.92Å
207	L	92	Very high	91.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	I	π-helix	trans	-62.4	-39.2	178	-74.4	179.1	0	0	0	112.5	I169 A182 I203 I211 N212 V213 V215 Y241	I169-L207 HydrophobicContact CG2-CD1 4.28Å; I169-L207 HydrophobicContact CG2-CD2 3.68Å; I169-L207 HydrophobicContact CG2-CG 4Å; A182-L207 HydrophobicContact CB-CD1 4.04Å; I203-L207 HydrophobicContact CG2-CD1 3.71Å; I203-L207 HydrophobicContact CG2-CG 4.25Å; I203-L207 WeakPolarHBondContact O-CB 3.45Å; I203-L207 WeakPolarHBondContact O-CG 3.49Å; I203-L207 PolarHBondContact O-N 3.43Å; L207-I211 HydrophobicContact CD2-CD1 4.42Å; L207-N212 PolarHBondContact O-N 3.4Å; L207-V213 PolarHBondContact O-N 3.37Å; L207-V213 VanDerWaalsContact O-N 3.08Å; L207-V215 HydrophobicContact CB-CG2 3.57Å; L207-V215 HydrophobicContact CD1-CG2 4.08Å; L207-Y241 HydrophobicContact CD1-CE2 4.03Å
208	K	90.1	Very high	91.3	Very high	100 Å²	100	46.7 Å²	46.7	44%	0.435	23%	0.233	S	C	.	.	I	π-helix	trans	-78.2	-40	-178.1	-170.9	176.2	-174.4	178	0	113	Y204 L205 N206 N212	Y204-K208 HydrophobicContact CE1-CD 3.77Å; Y204-K208 WeakPolarHBondContact O-CB 3.47Å; Y204-K208 PolarHBondContact O-N 2.9Å; Y204-K208 PolarHBondContact OH-NZ 2.89Å; L205-K208 PolarHBondContact O-N 2.92Å; N206-K208 VanDerWaalsContact C-N 3.32Å; N206-K208 PolarHBondContact O-N 2.85Å; K208-N212 WeakPolarHBondContact O-CA 3.44Å
209	Q	86.9	Confident	91.3	Very high	122 Å²	122	49 Å²	49	57%	0.57	25%	0.25	S	S	*	.	I	π-helix	trans	-90.6	-35.2	-173.9	-63.4	-178.3	-4.7	0	0	113	Y144 L205	Y144-Q209 PolarHBondContact OH-OE1 3.44Å; L205-Q209 WeakPolarHBondContact O-CB 3.17Å; L205-Q209 VanDerWaalsContact O-CG 3.3Å; L205-Q209 WeakPolarHBondContact O-CG 3.47Å; L205-Q209 PolarHBondContact O-N 3.27Å
210	E	83.1	Confident	91.2	Very high	111 Å²	111	48.7 Å²	48.7	52%	0.519	25%	0.248	S	C	.	.	I	π-helix	trans	-94.7	-41.4	-176.1	-55.7	-159.2	164.6	0	0	113.1	N170 N206	N170-E210 PolarHBondContact ND2-OE2 3.09Å; N206-E210 VanDerWaalsContact O-CB 3.3Å; N206-E210 WeakPolarHBondContact O-CB 3.19Å; N206-E210 PolarHBondContact O-N 2.92Å
211	I	83.7	Confident	90.9	Very high	46 Å²	46	53.3 Å²	53.3	24%	0.236	27%	0.269	C	S	.	.	I	π-helix	trans	-102.1	-18	-177.9	-55.3	-173.7	0	0	0	112.6	N170 H173 L207 V213	N170-I211 HydrophobicContact CB-CD1 3.69Å; N170-I211 HydrophobicContact CB-CG1 4.35Å; N170-I211 VanDerWaalsContact OD1-CD1 3.25Å; N170-I211 WeakPolarHBondContact OD1-CD1 3.28Å; H173-I211 HydrophobicContact CB-CD1 3.86Å; L207-I211 HydrophobicContact CD2-CD1 4.42Å; I211-V213 VanDerWaalsContact C-N 3.32Å; I211-V213 HydrophobicContact CB-CG2 3.9Å; I211-V213 HydrophobicContact CG2-CG2 3.44Å; I211-V213 VanDerWaalsContact CG2-CG2 3.44Å
212	N	89.3	Confident	90	Very high	135 Å²	135	57.8 Å²	57.8	72%	0.722	29%	0.288	S	S	*	.			trans	60.8	37.6	-176.8	-167.7	46.9	0	0	0	113.4	L207 K208	L207-N212 PolarHBondContact O-N 3.4Å; K208-N212 WeakPolarHBondContact O-CA 3.44Å
213	V	90.4	Very high	88.9	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.03	33%	0.332	C	S	.	.			trans	-76.4	146.2	173.1	-177.7	0	0	0	0	109.8	A182 L207 I211 V215	A182-V213 HydrophobicContact CB-CG1 4.16Å; L207-V213 PolarHBondContact O-N 3.37Å; L207-V213 VanDerWaalsContact O-N 3.08Å; I211-V213 VanDerWaalsContact C-N 3.32Å; I211-V213 HydrophobicContact CB-CG2 3.9Å; I211-V213 HydrophobicContact CG2-CG2 3.44Å; I211-V213 VanDerWaalsContact CG2-CG2 3.44Å; V213-V215 HydrophobicContact CB-CG2 4.31Å; V213-V215 HydrophobicContact CG1-CG2 4.39Å; V213-V215 PolarHBondContact O-N 2.89Å
214	T	90.9	Very high	87.9	Confident	81 Å²	81	71 Å²	71	50%	0.497	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	108.3	168.9	-56.3	0	0	0	0	109.1	S180 R181 A182	S180-T214 WeakPolarHBondContact O-CB 3.32Å; S180-T214 PolarHBondContact O-N 2.93Å; S180-T214 PolarHBondContact O-OG1 2.9Å; R181-T214 WeakPolarHBondContact CA-O 3.38Å; A182-T214 PolarHBondContact N-O 2.86Å
215	V	93.1	Very high	86.9	Confident	15 Å²	15	72.5 Å²	72.5	9%	0.091	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.8	-179.1	-169	0	0	0	0	110.5	A182 V184 Y204 L207 V213	A182-V215 WeakPolarHBondContact O-CA 3.49Å; V184-V215 HydrophobicContact CB-CG1 4.45Å; V184-V215 HydrophobicContact CG2-CG1 3.61Å; Y204-V215 HydrophobicContact CD2-CB 3.9Å; Y204-V215 HydrophobicContact CD2-CG1 3.58Å; Y204-V215 HydrophobicContact CE2-CB 3.93Å; Y204-V215 HydrophobicContact CE2-CG1 4.04Å; Y204-V215 WeakPolarHBondContact CE2-O 3.28Å; L207-V215 HydrophobicContact CB-CG2 3.57Å; L207-V215 HydrophobicContact CD1-CG2 4.08Å; V213-V215 HydrophobicContact CB-CG2 4.31Å; V213-V215 HydrophobicContact CG1-CG2 4.39Å; V213-V215 PolarHBondContact O-N 2.89Å
216	E	93.1	Very high	86.6	Confident	75 Å²	75	72.1 Å²	72.1	35%	0.35	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.5	169.8	-63.2	-162.7	-172.6	0	0	110.2	A182 V183 V184 F232 S236	A182-E216 PolarHBondContact O-N 3.11Å; V183-E216 CarbonylContact C-O 3.59Å; V183-E216 WeakPolarHBondContact CA-O 3.47Å; V184-E216 PolarHBondContact N-O 2.81Å; E216-F232 HydrophobicContact CB-CE2 4.44Å; E216-F232 HydrophobicContact CB-CZ 3.91Å; E216-F232 WeakPolarHBondContact OE2-CE2 3.42Å; E216-S236 VanDerWaalsContact OE2-CB 3.29Å; E216-S236 WeakPolarHBondContact OE2-CB 3.32Å; E216-S236 PolarHBondContact OE2-OG 3.39Å
217	A	93.6	Very high	86.3	Confident	47 Å²	47	78 Å²	78	39%	0.388	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132	-175.8	0	0	0	0	0	111.3	V184 F186 Y204	V184-A217 HydrophobicContact CB-CB 4.43Å; V184-A217 CarbonylContact O-C 3.57Å; V184-A217 WeakPolarHBondContact O-CA 3.3Å; F186-A217 HydrophobicContact CE1-CB 4.29Å; Y204-A217 HydrophobicContact CD2-CB 3.99Å; Y204-A217 HydrophobicContact CE2-CB 4.18Å
218	R	93.6	Very high	86	Confident	68 Å²	68	83.4 Å²	83.4	26%	0.257	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	119.9	179.6	-170.4	164	-179.5	164.6	-4	112	V184 I185 F186 E228 L229 F232	V184-R218 PolarHBondContact O-N 2.9Å; I185-R218 WeakPolarHBondContact CA-O 3.49Å; F186-R218 PolarHBondContact N-O 3.49Å; R218-E228 IonicContact NH2-OE2 3.06Å; R218-E228 PolarHBondContact NH2-OE2 2.67Å; R218-L229 HydrophobicContact CB-CD1 4.48Å; R218-L229 HydrophobicContact CG-CD1 4.19Å; R218-F232 HydrophobicContact CB-CD1 3.82Å; R218-F232 HydrophobicContact CB-CE1 3.39Å; R218-F232 HydrophobicContact CB-CE2 4.43Å; R218-F232 HydrophobicContact CB-CG 4.48Å; R218-F232 HydrophobicContact CB-CZ 3.75Å; R218-F232 HydrophobicContact CG-CD1 4.32Å; R218-F232 HydrophobicContact CG-CE1 4.33Å
219	P	93.3	Very high	86	Confident	65 Å²	65	78.9 Å²	78.9	42%	0.422	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	152.3	171.2	30.1	-32.7	0	0	0	111.3	F186 D188	F186-P219 HydrophobicContact CD2-CB 4.28Å; F186-P219 HydrophobicContact CE1-CB 4.39Å; F186-P219 HydrophobicContact CE2-CB 3.61Å; F186-P219 HydrophobicContact CZ-CB 3.69Å; F186-P219 HydrophobicContact CZ-CG 4.28Å; F186-P219 CarbonylContact O-C 3.59Å; F186-P219 VanDerWaalsContact O-CA 3.26Å; F186-P219 WeakPolarHBondContact O-CA 3.27Å; D188-P219 HydrophobicContact CB-CB 4.07Å
220	Y	91.8	Very high	86.1	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.016	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.4	167.3	72.4	-84.1	0	0	0	111.6	I185 F186 Y187 D188 H226 L229 I252	I185-Y220 HydrophobicContact CG2-CD1 3.58Å; I185-Y220 HydrophobicContact CG2-CE1 3.63Å; F186-Y220 VanDerWaalsContact C-CD1 3.45Å; F186-Y220 WeakPolarHBondContact O-CD1 3.41Å; F186-Y220 PolarHBondContact O-N 3.29Å; Y187-Y220 WeakPolarHBondContact CA-O 3.49Å; Y187-Y220 HydrophobicContact CD2-CD2 4.07Å; Y187-Y220 AromaticContact CD2-CE2 3.69Å; Y187-Y220 HydrophobicContact CD2-CE2 3.69Å; Y187-Y220 HydrophobicContact CG-CE2 4.41Å; D188-Y220 PolarHBondContact N-O 3.02Å; Y220-H226 AromaticContact CD2-NE2 3.93Å; Y220-L229 HydrophobicContact CD1-CD2 4.16Å; Y220-L229 HydrophobicContact CG-CD2 4.21Å; Y220-I252 HydrophobicContact CE1-CD1 4.24Å; Y220-I252 HydrophobicContact CE2-CD1 4.08Å
221	Q	87.8	Confident	86.4	Confident	101 Å²	101	68.7 Å²	68.7	47%	0.472	35%	0.348	S	S	.	.			trans	-127.6	162.6	-180	-67.1	-174.6	-18.4	0	0	111	D188 E223 Q224	D188-Q221 WeakPolarHBondContact O-CG 3.16Å; D188-Q221 PolarHBondContact O-NE2 3.31Å; Q221-E223 VanDerWaalsContact C-N 3.25Å; Q221-E223 PolarHBondContact O-N 3.08Å; Q221-Q224 PolarHBondContact O-N 3Å
222	K	76.5	Confident	86.6	Confident	136 Å²	136	67.7 Å²	67.7	59%	0.591	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-32.2	-172.5	-169	169.4	-174.9	165.7	0	113.8	Y187 E247	Y187-K222 HydrophobicContact CE2-CB 4.07Å; K222-E247 IonicContact NZ-OE2 2.65Å
223	E	67.6	Low	86.7	Confident	200 Å²	200	61.4 Å²	61.4	94%	0.935	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.6	-174.8	-63	178.6	177.2	0	0	113.9	Q221	Q221-E223 VanDerWaalsContact C-N 3.25Å; Q221-E223 PolarHBondContact O-N 3.08Å
224	Q	71.7	Confident	86.6	Confident	78 Å²	78	64 Å²	64	36%	0.364	32%	0.319	S	S	.	.	S	Bend	trans	-86.4	145.3	-174.8	-166.1	169.6	4	0	0	112.1	Q221 H226	Q221-Q224 PolarHBondContact O-N 3Å; Q224-H226 PolarHBondContact O-N 3.4Å
225	D	73.9	Confident	86.4	Confident	95 Å²	95	67.2 Å²	67.2	51%	0.508	33%	0.329	S	S	.	.			trans	-68.6	113.6	171.2	-171.3	-5.7	0	0	0	110.1	K227	D225-K227 PolarHBondContact O-N 3.22Å; D225-K227 WeakPolarHBondContact OD1-CB 3.33Å; D225-K227 WeakPolarHBondContact OD1-CG 3.38Å; D225-K227 PolarHBondContact OD1-N 3.37Å
226	H	84.5	Confident	86.2	Confident	26 Å²	26	66.8 Å²	66.8	12%	0.12	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-6.8	-179	-60.4	102.1	0	0	0	113.2	Y220 Q224 E228 L229 V230 I252 L255	Y220-H226 AromaticContact CD2-NE2 3.93Å; Q224-H226 PolarHBondContact O-N 3.4Å; H226-E228 PolarHBondContact O-N 3.46Å; H226-L229 VanDerWaalsContact O-CB 3.31Å; H226-L229 WeakPolarHBondContact O-CB 3.32Å; H226-L229 PolarHBondContact O-N 3.11Å; H226-L229 VanDerWaalsContact O-N 3.16Å; H226-V230 PolarHBondContact O-N 2.91Å; H226-V230 VanDerWaalsContact O-N 3.14Å; H226-I252 HydrophobicContact CB-CG1 4.18Å; H226-I252 VanDerWaalsContact CD2-CG1 3.44Å; H226-I252 WeakPolarHBondContact CD2-CG1 3.45Å; H226-L255 HydrophobicContact CB-CD1 3.6Å
227	K	85.2	Confident	86	Confident	129 Å²	129	63.2 Å²	63.2	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-60.8	-41.6	175.1	-75.5	-179.8	178.4	179.8	0	113.3	D225 L229 V230 G231 L255	D225-K227 PolarHBondContact O-N 3.22Å; D225-K227 WeakPolarHBondContact OD1-CB 3.33Å; D225-K227 WeakPolarHBondContact OD1-CG 3.38Å; D225-K227 PolarHBondContact OD1-N 3.37Å; K227-L229 PolarHBondContact O-N 3.4Å; K227-V230 PolarHBondContact O-N 3.13Å; K227-G231 PolarHBondContact O-N 3.19Å; K227-L255 HydrophobicContact CG-CD2 4.38Å
228	E	86.3	Confident	85.9	Confident	112 Å²	112	62.4 Å²	62.4	52%	0.523	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-30.6	176.7	-65.1	-173.4	174.1	0	0	112	R218 H226 G231 F232	R218-E228 IonicContact NH2-OE2 3.06Å; R218-E228 PolarHBondContact NH2-OE2 2.67Å; H226-E228 PolarHBondContact O-N 3.46Å; E228-G231 PolarHBondContact O-N 2.8Å; E228-F232 WeakPolarHBondContact O-CB 3.44Å; E228-F232 PolarHBondContact O-N 3.39Å
229	L	89.2	Confident	86	Confident	6 Å²	6	59.1 Å²	59.1	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-71.2	-40.4	178.8	-170.1	66.7	0	0	0	111.2	I185 R218 Y220 H226 K227 F232 I233 I252	I185-L229 HydrophobicContact CD1-CD1 3.92Å; I185-L229 HydrophobicContact CD1-CG 4.11Å; I185-L229 HydrophobicContact CG1-CD1 4.1Å; I185-L229 HydrophobicContact CG2-CD1 3.84Å; I185-L229 HydrophobicContact CG2-CD2 3.82Å; I185-L229 HydrophobicContact CG2-CG 4.22Å; R218-L229 HydrophobicContact CB-CD1 4.48Å; R218-L229 HydrophobicContact CG-CD1 4.19Å; Y220-L229 HydrophobicContact CD1-CD2 4.16Å; Y220-L229 HydrophobicContact CG-CD2 4.21Å; H226-L229 VanDerWaalsContact O-CB 3.31Å; H226-L229 WeakPolarHBondContact O-CB 3.32Å; H226-L229 PolarHBondContact O-N 3.11Å; H226-L229 VanDerWaalsContact O-N 3.16Å; K227-L229 PolarHBondContact O-N 3.4Å; L229-F232 WeakPolarHBondContact O-CB 3.4Å; L229-F232 PolarHBondContact O-N 3.22Å; L229-I233 WeakPolarHBondContact O-CG1 3.34Å; L229-I233 PolarHBondContact O-N 3.36Å; L229-I252 HydrophobicContact CD2-CD1 3.58Å; L229-I252 HydrophobicContact CD2-CG1 3.92Å; L229-I252 HydrophobicContact CD2-CG2 4.3Å
230	V	90.1	Very high	86.1	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-40.8	172.6	176.3	0	0	0	0	110.9	H226 K227 F232 I233 K234 L255 F256 D259	H226-V230 PolarHBondContact O-N 2.91Å; H226-V230 VanDerWaalsContact O-N 3.14Å; K227-V230 PolarHBondContact O-N 3.13Å; V230-F232 VanDerWaalsContact C-N 3.31Å; V230-F232 PolarHBondContact O-N 3.01Å; V230-I233 PolarHBondContact O-N 3.13Å; V230-K234 WeakPolarHBondContact O-CG 3.31Å; V230-K234 PolarHBondContact O-N 3.34Å; V230-K234 VanDerWaalsContact O-N 3.12Å; V230-L255 HydrophobicContact CG2-CB 4Å; V230-F256 HydrophobicContact CG1-CD2 4.19Å; V230-F256 HydrophobicContact CG2-CB 4.34Å; V230-D259 HydrophobicContact CG1-CB 4.19Å
231	G	87.9	Confident	86.3	Confident	18 Å²	18	55.9 Å²	55.9	19%	0.186	26%	0.263	C	S	.	.	H	α-helix	trans	-54.2	-47.7	170.6	0	0	0	0	0	112.2	K227 E228 K234 E235	K227-G231 PolarHBondContact O-N 3.19Å; E228-G231 PolarHBondContact O-N 2.8Å; G231-K234 PolarHBondContact O-N 2.93Å; G231-E235 WeakPolarHBondContact O-CG 3.39Å; G231-E235 PolarHBondContact O-N 2.84Å
232	F	89.9	Confident	86.7	Confident	25 Å²	25	51.1 Å²	51.1	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-43	176.3	174.9	-104.2	0	0	0	113.6	V183 I185 E216 R218 E228 L229 V230 K234 E235 S236	V183-F232 HydrophobicContact CG1-CD1 4.23Å; V183-F232 HydrophobicContact CG1-CE1 3.46Å; V183-F232 VanDerWaalsContact CG1-CE1 3.46Å; V183-F232 HydrophobicContact CG1-CZ 4.12Å; I185-F232 HydrophobicContact CG1-CE1 4.43Å; E216-F232 HydrophobicContact CB-CE2 4.44Å; E216-F232 HydrophobicContact CB-CZ 3.91Å; E216-F232 WeakPolarHBondContact OE2-CE2 3.42Å; R218-F232 HydrophobicContact CB-CD1 3.82Å; R218-F232 HydrophobicContact CB-CE1 3.39Å; R218-F232 HydrophobicContact CB-CE2 4.43Å; R218-F232 HydrophobicContact CB-CG 4.48Å; R218-F232 HydrophobicContact CB-CZ 3.75Å; R218-F232 HydrophobicContact CG-CD1 4.32Å; R218-F232 HydrophobicContact CG-CE1 4.33Å; E228-F232 WeakPolarHBondContact O-CB 3.44Å; E228-F232 PolarHBondContact O-N 3.39Å; L229-F232 WeakPolarHBondContact O-CB 3.4Å; L229-F232 PolarHBondContact O-N 3.22Å; V230-F232 VanDerWaalsContact C-N 3.31Å; V230-F232 PolarHBondContact O-N 3.01Å; F232-K234 VanDerWaalsContact C-N 3.26Å; F232-K234 PolarHBondContact O-N 3.22Å; F232-E235 PolarHBondContact O-N 3.4Å; F232-S236 WeakPolarHBondContact CD2-OG 3.35Å; F232-S236 WeakPolarHBondContact CE2-OG 3.2Å; F232-S236 WeakPolarHBondContact O-CB 3.35Å; F232-S236 PolarHBondContact O-N 3.11Å; F232-S236 PolarHBondContact O-OG 3.17Å
233	I	90.9	Very high	87.6	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-55	-46	175.3	-71.4	166.3	0	0	0	110.3	I185 L229 V230 E235 G237 I240 I252 F256 Y266	I185-I233 HydrophobicContact CD1-CD1 3.56Å; I185-I233 HydrophobicContact CD1-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.34Å; L229-I233 PolarHBondContact O-N 3.36Å; V230-I233 PolarHBondContact O-N 3.13Å; I233-E235 VanDerWaalsContact C-N 3.35Å; I233-E235 PolarHBondContact O-N 3.16Å; I233-G237 PolarHBondContact O-N 3.3Å; I233-G237 VanDerWaalsContact O-O 3.05Å; I233-I240 HydrophobicContact CG1-CG2 4.33Å; I233-I240 HydrophobicContact CG2-CD1 3.84Å; I233-I240 HydrophobicContact CG2-CG1 3.94Å; I233-I252 HydrophobicContact CD1-CG2 4.42Å; I233-F256 HydrophobicContact CG2-CD2 4.25Å; I233-F256 HydrophobicContact CG2-CE2 3.72Å; I233-Y266 HydrophobicContact CG2-CD1 4.14Å; I233-Y266 HydrophobicContact CG2-CE1 3.82Å
234	K	87.6	Confident	88.8	Confident	60 Å²	60	35.2 Å²	35.2	26%	0.261	17%	0.169	S	C	.	.	H	α-helix	trans	-63.4	-40.1	-177.9	-68.3	-178.4	-62.4	-170.9	0	112.6	V230 G231 F232 R238 D259	V230-K234 WeakPolarHBondContact O-CG 3.31Å; V230-K234 PolarHBondContact O-N 3.34Å; V230-K234 VanDerWaalsContact O-N 3.12Å; G231-K234 PolarHBondContact O-N 2.93Å; F232-K234 VanDerWaalsContact C-N 3.26Å; F232-K234 PolarHBondContact O-N 3.22Å; K234-R238 PolarHBondContact O-NH1 3.02Å; K234-D259 VanDerWaalsContact NZ-CG 3.31Å; K234-D259 PolarHBondContact NZ-O 2.94Å; K234-D259 IonicContact NZ-OD1 2.84Å; K234-D259 IonicContact NZ-OD2 2.8Å; K234-D259 PolarHBondContact NZ-OD2 3.25Å
235	E	86.7	Confident	89.7	Confident	149 Å²	149	33.5 Å²	33.5	70%	0.696	17%	0.165	S	C	*	.	H	α-helix	trans	-82.2	-22.7	-175.7	-69.4	176	-177.5	0	0	114.2	G231 F232 I233 F450	G231-E235 WeakPolarHBondContact O-CG 3.39Å; G231-E235 PolarHBondContact O-N 2.84Å; F232-E235 PolarHBondContact O-N 3.4Å; I233-E235 VanDerWaalsContact C-N 3.35Å; I233-E235 PolarHBondContact O-N 3.16Å; E235-F450 VanDerWaalsContact C-CE1 3.49Å; E235-F450 WeakPolarHBondContact O-CD1 3.24Å; E235-F450 WeakPolarHBondContact O-CE1 3.41Å
236	S	88.2	Confident	90.4	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-105.9	-33.1	-164.4	-47.7	0	0	0	0	114.4	E216 F232	E216-S236 VanDerWaalsContact OE2-CB 3.29Å; E216-S236 WeakPolarHBondContact OE2-CB 3.32Å; E216-S236 PolarHBondContact OE2-OG 3.39Å; F232-S236 WeakPolarHBondContact CD2-OG 3.35Å; F232-S236 WeakPolarHBondContact CE2-OG 3.2Å; F232-S236 WeakPolarHBondContact O-CB 3.35Å; F232-S236 PolarHBondContact O-N 3.11Å; F232-S236 PolarHBondContact O-OG 3.17Å
237	G	89.1	Confident	90.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.			trans	-176.8	-177.6	-178.8	0	0	0	0	0	115.5	I233 Y266	I233-G237 PolarHBondContact O-N 3.3Å; I233-G237 VanDerWaalsContact O-O 3.05Å; G237-Y266 WeakPolarHBondContact O-CE1 3.22Å
238	R	91.9	Very high	90.7	Very high	29 Å²	29	28.9 Å²	28.9	11%	0.109	14%	0.144	C	C	.	.	S	Bend	trans	-117.9	-23.8	176.2	-64.6	-60.9	176.4	-99.9	5.9	113.9	K234 N265 Y266 A267 P446 F450	K234-R238 PolarHBondContact O-NH1 3.02Å; R238-N265 WeakPolarHBondContact CD-O 3.44Å; R238-Y266 VanDerWaalsContact CD-CE1 3.45Å; R238-Y266 PolarHBondContact NH1-OH 2.89Å; R238-Y266 VanDerWaalsContact NH1-OH 3.14Å; R238-Y266 WeakPolarHBondContact O-CA 3.49Å; R238-A267 PolarHBondContact O-N 3.46Å; R238-P446 HydrophobicContact CG-CG 3.96Å; R238-F450 HydrophobicContact CG-CE2 4.47Å; R238-F450 HydrophobicContact CG-CZ 4.46Å; R238-F450 VanDerWaalsContact NH1-CZ 3.3Å
239	I	95.4	Very high	90.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	108.4	173.1	-46.6	-52.3	0	0	0	107.8	W178 A182 V183 Y241 A267 L269 P442 D444	W178-I239 HydrophobicContact CD2-CD1 3.76Å; W178-I239 HydrophobicContact CD2-CG1 3.89Å; W178-I239 HydrophobicContact CD2-CG2 4.32Å; W178-I239 HydrophobicContact CE3-CD1 4.3Å; W178-I239 HydrophobicContact CE3-CG1 4.3Å; W178-I239 HydrophobicContact CE3-CG2 3.85Å; W178-I239 HydrophobicContact CG-CD1 4.17Å; W178-I239 HydrophobicContact CG-CG1 4.02Å; W178-I239 HydrophobicContact CH2-CD1 4.23Å; W178-I239 HydrophobicContact CZ2-CD1 3.66Å; W178-I239 HydrophobicContact CZ3-CG2 3.96Å; A182-I239 WeakPolarHBondContact CA-O 3.32Å; V183-I239 PolarHBondContact N-O 2.99Å; I239-Y241 HydrophobicContact CG2-CE2 4.01Å; I239-A267 HydrophobicContact CD1-CB 3.87Å; I239-L269 HydrophobicContact CG2-CD1 3.89Å; I239-P442 HydrophobicContact CD1-CG 4.06Å; I239-D444 HydrophobicContact CG1-CB 3.79Å
240	I	95.9	Very high	90.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.3	-169	-44.7	-61	0	0	0	109.6	V183 I185 I233 I242 Y266 A267 I268 L269	V183-I240 HydrophobicContact CB-CD1 3.59Å; V183-I240 HydrophobicContact CB-CG2 4.49Å; V183-I240 HydrophobicContact CG1-CD1 4.28Å; V183-I240 HydrophobicContact CG2-CD1 3.72Å; V183-I240 CarbonylContact O-C 3.23Å; V183-I240 WeakPolarHBondContact O-CA 3.37Å; I185-I240 HydrophobicContact CD1-CG2 3.93Å; I233-I240 HydrophobicContact CG1-CG2 4.33Å; I233-I240 HydrophobicContact CG2-CD1 3.84Å; I233-I240 HydrophobicContact CG2-CG1 3.94Å; I240-I242 HydrophobicContact CG2-CD1 4.31Å; I240-I242 HydrophobicContact CG2-CG1 3.93Å; I240-Y266 HydrophobicContact CG1-CD1 4.28Å; I240-A267 PolarHBondContact N-O 3.4Å; I240-I268 CarbonylContact O-C 3.58Å; I240-I268 WeakPolarHBondContact O-CA 3.22Å; I240-L269 PolarHBondContact O-N 2.97Å
241	Y	96.7	Very high	90.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125	171.1	-64.8	-85	0	0	0	109.5	I169 H173 A182 V183 V184 I185 I203 L207 I239 L269 L271	I169-Y241 HydrophobicContact CD1-CD1 4.34Å; I169-Y241 HydrophobicContact CD1-CE1 3.98Å; I169-Y241 HydrophobicContact CG1-CE1 4.09Å; I169-Y241 HydrophobicContact CG2-CE1 4.28Å; I169-Y241 WeakPolarHBondContact CG2-OH 3.48Å; H173-Y241 PolarHBondContact CD2-OH 3.05Å; H173-Y241 AromaticContact NE2-CE2 3.7Å; H173-Y241 AromaticContact NE2-CZ 3.64Å; H173-Y241 PolarHBondContact NE2-OH 3.43Å; A182-Y241 HydrophobicContact CB-CE2 4.3Å; V183-Y241 PolarHBondContact O-N 2.94Å; V184-Y241 HydrophobicContact CG2-CD2 4.32Å; I185-Y241 PolarHBondContact N-O 3.36Å; I203-Y241 HydrophobicContact CD1-CD1 4.17Å; I203-Y241 HydrophobicContact CD1-CG 4.28Å; I203-Y241 HydrophobicContact CG2-CD1 4.48Å; I203-Y241 HydrophobicContact CG2-CD2 4.24Å; I203-Y241 HydrophobicContact CG2-CG 4.23Å; L207-Y241 HydrophobicContact CD1-CE2 4.03Å; I239-Y241 HydrophobicContact CG2-CE2 4.01Å; Y241-L269 CarbonylContact C-O 3.6Å; Y241-L269 WeakPolarHBondContact CA-O 3.44Å; Y241-L269 HydrophobicContact CD1-CB 3.7Å; Y241-L269 HydrophobicContact CD1-CD1 4.36Å; Y241-L269 HydrophobicContact CD1-CG 4.41Å; Y241-L269 HydrophobicContact CE1-CB 3.87Å; Y241-L269 HydrophobicContact CE1-CD1 3.99Å; Y241-L269 HydrophobicContact CE1-CD2 3.85Å; Y241-L269 HydrophobicContact CE1-CG 4.11Å; Y241-L271 HydrophobicContact CD1-CD1 3.98Å
242	I	95.9	Very high	90.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.3	178.5	-53.1	-176.5	0	0	0	109.5	I185 I240 F249 M253 I268 L269 Y270 L271	I185-I242 HydrophobicContact CB-CG1 4.35Å; I185-I242 HydrophobicContact CG2-CG2 4.39Å; I185-I242 CarbonylContact O-C 3.59Å; I185-I242 WeakPolarHBondContact O-CA 3.39Å; I240-I242 HydrophobicContact CG2-CD1 4.31Å; I240-I242 HydrophobicContact CG2-CG1 3.93Å; I242-F249 HydrophobicContact CB-CD2 4.26Å; I242-F249 HydrophobicContact CB-CE2 4.5Å; I242-F249 HydrophobicContact CD1-CD2 4.21Å; I242-F249 HydrophobicContact CD1-CE2 4.11Å; I242-F249 HydrophobicContact CG2-CD2 3.99Å; I242-M253 HydrophobicContact CD1-CE 3.51Å; I242-I268 HydrophobicContact CD1-CG2 3.81Å; I242-I268 HydrophobicContact CG1-CG2 4.32Å; I242-L269 PolarHBondContact N-O 3.4Å; I242-Y270 HydrophobicContact CB-CD2 4.45Å; I242-Y270 WeakPolarHBondContact O-CD2 3.42Å; I242-L271 PolarHBondContact O-N 2.94Å
243	C	94.9	Very high	91	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.6	174.9	-58.2	0	0	0	0	108.9	I185 F186 Y187 H196	I185-C243 PolarHBondContact O-N 3.41Å; F186-C243 CarbonylContact C-O 3.51Å; F186-C243 VanDerWaalsContact CA-O 3.23Å; F186-C243 WeakPolarHBondContact CA-O 3.48Å; F186-C243 HydrophobicContact CB-CB 4.01Å; Y187-C243 PolarHBondContact N-O 2.88Å; H196-C243 HydrophobicContact CB-CB 4Å
244	G	92.6	Very high	90.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	177.8	-179.8	176.4	0	0	0	0	0	113.7	H196 Y270	H196-G244 PolarHBondContact CE1-O 3.42Å; H196-G244 WeakPolarHBondContact ND1-CA 3.48Å; H196-G244 PolarHBondContact ND1-N 2.94Å; G244-Y270 PolarHBondContact O-OH 2.9Å; G244-Y270 VanDerWaalsContact O-OH 3.05Å
245	P	90	Very high	90.9	Very high	43 Å²	43	25.8 Å²	25.8	28%	0.279	13%	0.13	S	C	.	.			trans	-63.7	148.5	175.1	-20.8	33	0	0	0	112	Y187 E247 S248 F249	Y187-P245 HydrophobicContact CD1-CG 4.15Å; Y187-P245 HydrophobicContact CD2-CG 4.48Å; Y187-P245 HydrophobicContact CE1-CG 4.35Å; Y187-P245 HydrophobicContact CG-CG 4.21Å; P245-E247 VanDerWaalsContact C-N 3.31Å; P245-E247 PolarHBondContact O-N 3.32Å; P245-S248 PolarHBondContact O-N 2.86Å; P245-S248 VanDerWaalsContact O-N 3.16Å; P245-F249 PolarHBondContact O-N 3.35Å
246	L	88.6	Confident	91.1	Very high	24 Å²	24	18.7 Å²	18.7	13%	0.126	10%	0.096	C	C	.	.	H	α-helix	trans	-56.6	-42.1	-178.8	-175.9	58.2	0	0	0	112.8	S248 F249 M250 Y270	L246-S248 VanDerWaalsContact C-N 3.33Å; L246-S248 PolarHBondContact O-N 2.79Å; L246-F249 HydrophobicContact CD1-CD1 4.41Å; L246-F249 PolarHBondContact O-N 2.99Å; L246-M250 HydrophobicContact CD1-CE 3.46Å; L246-M250 VanDerWaalsContact CD1-CE 3.46Å; L246-M250 HydrophobicContact CD1-CG 4.29Å; L246-M250 HydrophobicContact CG-CE 4.28Å; L246-M250 HydrophobicContact CG-CG 4.47Å; L246-M250 VanDerWaalsContact O-CG 3.24Å; L246-M250 WeakPolarHBondContact O-CG 3.41Å; L246-M250 PolarHBondContact O-N 3.16Å; L246-Y270 WeakPolarHBondContact CA-OH 3.44Å; L246-Y270 HydrophobicContact CD1-CE1 4.13Å; L246-Y270 PolarHBondContact N-OH 2.9Å
247	E	87.4	Confident	91.1	Very high	119 Å²	119	20.8 Å²	20.8	56%	0.556	11%	0.105	S	C	*	.	H	α-helix	trans	-59.6	-42.8	179.2	-63.9	-175.4	162.7	0	0	112.5	K222 P245 S251	K222-E247 IonicContact NZ-OE2 2.65Å; P245-E247 VanDerWaalsContact C-N 3.31Å; P245-E247 PolarHBondContact O-N 3.32Å; E247-S251 PolarHBondContact O-N 3.31Å; E247-S251 VanDerWaalsContact O-N 3.14Å; E247-S251 PolarHBondContact O-OG 3.29Å
248	S	89.3	Confident	90.9	Very high	10 Å²	10	27.1 Å²	27.1	7%	0.07	14%	0.135	C	C	.	.	H	α-helix	trans	-70	-43.5	178	-66	0	0	0	0	111.2	P245 L246 M250 S251 I252	P245-S248 PolarHBondContact O-N 2.86Å; P245-S248 VanDerWaalsContact O-N 3.16Å; L246-S248 VanDerWaalsContact C-N 3.33Å; L246-S248 PolarHBondContact O-N 2.79Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M250 PolarHBondContact O-N 3.45Å; S248-S251 WeakPolarHBondContact O-CB 3.49Å; S248-S251 PolarHBondContact O-N 3.44Å; S248-I252 VanDerWaalsContact O-CG1 3.25Å; S248-I252 WeakPolarHBondContact O-CG1 3.29Å; S248-I252 PolarHBondContact O-N 3.22Å
249	F	90.9	Very high	90.7	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-55.9	-47.4	175.3	173.8	-104.7	0	0	0	111.5	I242 P245 L246 S251 I252 M253 I268 Y270 F298 V301	I242-F249 HydrophobicContact CB-CD2 4.26Å; I242-F249 HydrophobicContact CB-CE2 4.5Å; I242-F249 HydrophobicContact CD1-CD2 4.21Å; I242-F249 HydrophobicContact CD1-CE2 4.11Å; I242-F249 HydrophobicContact CG2-CD2 3.99Å; P245-F249 PolarHBondContact O-N 3.35Å; L246-F249 HydrophobicContact CD1-CD1 4.41Å; L246-F249 PolarHBondContact O-N 2.99Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-S251 PolarHBondContact O-N 2.94Å; F249-I252 PolarHBondContact O-N 2.64Å; F249-M253 HydrophobicContact CD1-CG 4.28Å; F249-M253 HydrophobicContact CD2-CG 4.1Å; F249-M253 HydrophobicContact CE1-CG 3.83Å; F249-M253 HydrophobicContact CE2-CE 4.1Å; F249-M253 HydrophobicContact CE2-CG 3.63Å; F249-M253 HydrophobicContact CE2-SD 3.81Å; F249-M253 HydrophobicContact CG-CG 4.41Å; F249-M253 HydrophobicContact CZ-CG 3.48Å; F249-M253 VanDerWaalsContact CZ-CG 3.48Å; F249-M253 HydrophobicContact CZ-SD 3.89Å; F249-M253 WeakPolarHBondContact O-CG 3.34Å; F249-M253 PolarHBondContact O-N 3.16Å; F249-I268 HydrophobicContact CE2-CG2 4.19Å; F249-Y270 HydrophobicContact CB-CD2 4.11Å; F249-Y270 HydrophobicContact CB-CE2 3.65Å; F249-Y270 HydrophobicContact CD1-CD1 4.09Å; F249-Y270 HydrophobicContact CD1-CD2 4.2Å; F249-Y270 HydrophobicContact CD1-CE1 4.16Å; F249-Y270 HydrophobicContact CD1-CE2 4.28Å; F249-Y270 HydrophobicContact CD1-CG 4.12Å; F249-Y270 AromaticContact CD2-CD2 3.4Å; F249-Y270 HydrophobicContact CD2-CD2 3.4Å; F249-Y270 VanDerWaalsContact CD2-CD2 3.4Å; F249-Y270 AromaticContact CD2-CE2 3.88Å; F249-Y270 HydrophobicContact CD2-CE2 3.88Å; F249-Y270 AromaticContact CD2-CG 3.83Å; F249-Y270 HydrophobicContact CD2-CG 3.83Å; F249-Y270 HydrophobicContact CE1-CD1 4.1Å; F249-Y270 HydrophobicContact CE1-CG 4.09Å; F249-Y270 AromaticContact CE2-CD2 3.81Å; F249-Y270 HydrophobicContact CE2-CD2 3.81Å; F249-Y270 AromaticContact CE2-CG 3.79Å; F249-Y270 HydrophobicContact CE2-CG 3.79Å; F249-Y270 HydrophobicContact CG-CD1 4.34Å; F249-Y270 AromaticContact CG-CD2 3.62Å; F249-Y270 HydrophobicContact CG-CD2 3.62Å; F249-Y270 HydrophobicContact CG-CE1 4.36Å; F249-Y270 AromaticContact CG-CE2 3.66Å; F249-Y270 HydrophobicContact CG-CE2 3.66Å; F249-Y270 AromaticContact CG-CG 4Å; F249-Y270 HydrophobicContact CG-CG 4Å; F249-Y270 HydrophobicContact CZ-CD1 4.36Å; F249-Y270 HydrophobicContact CZ-CD2 4.37Å; F249-Y270 AromaticContact CZ-CG 3.93Å; F249-Y270 HydrophobicContact CZ-CG 3.93Å; F249-F298 HydrophobicContact CE1-CE1 4Å; F249-F298 AromaticContact CE1-CZ 3.93Å; F249-F298 HydrophobicContact CE1-CZ 3.93Å; F249-V301 HydrophobicContact CZ-CG1 3.83Å; F249-V301 HydrophobicContact CZ-CG2 4.36Å
250	M	88.6	Confident	90.1	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-41.9	177.4	-68.4	-65	166.8	0	0	112.4	L246 S248 M253 K254 P283 W284 W291 F298	L246-M250 HydrophobicContact CD1-CE 3.46Å; L246-M250 VanDerWaalsContact CD1-CE 3.46Å; L246-M250 HydrophobicContact CD1-CG 4.29Å; L246-M250 HydrophobicContact CG-CE 4.28Å; L246-M250 HydrophobicContact CG-CG 4.47Å; L246-M250 VanDerWaalsContact O-CG 3.24Å; L246-M250 WeakPolarHBondContact O-CG 3.41Å; L246-M250 PolarHBondContact O-N 3.16Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M250 PolarHBondContact O-N 3.45Å; M250-M253 PolarHBondContact O-N 3.4Å; M250-K254 PolarHBondContact O-N 2.89Å; M250-P283 VanDerWaalsContact CE-C 3.4Å; M250-P283 HydrophobicContact CE-CB 3.86Å; M250-P283 WeakPolarHBondContact CE-O 3.25Å; M250-W284 HydrophobicContact CE-CB 4.5Å; M250-W284 HydrophobicContact SD-CB 4.31Å; M250-W291 HydrophobicContact SD-CZ3 4.4Å; M250-F298 HydrophobicContact CE-CE1 4.37Å; M250-F298 HydrophobicContact CE-CZ 3.76Å; M250-F298 HydrophobicContact SD-CE2 4.28Å; M250-F298 HydrophobicContact SD-CZ 3.73Å
251	S	88.3	Confident	89.2	Confident	35 Å²	35	35.3 Å²	35.3	25%	0.245	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-40.8	177.7	-58.6	0	0	0	0	112.1	E247 S248 F249 L255	E247-S251 PolarHBondContact O-N 3.31Å; E247-S251 VanDerWaalsContact O-N 3.14Å; E247-S251 PolarHBondContact O-OG 3.29Å; S248-S251 WeakPolarHBondContact O-CB 3.49Å; S248-S251 PolarHBondContact O-N 3.44Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-S251 PolarHBondContact O-N 2.94Å; S251-L255 PolarHBondContact O-N 3.16Å
252	I	90.6	Very high	88.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-45.2	176.5	-63.2	162.1	0	0	0	110.4	Y220 H226 L229 I233 S248 F249 K254 L255 F256	Y220-I252 HydrophobicContact CE1-CD1 4.24Å; Y220-I252 HydrophobicContact CE2-CD1 4.08Å; H226-I252 HydrophobicContact CB-CG1 4.18Å; H226-I252 VanDerWaalsContact CD2-CG1 3.44Å; H226-I252 WeakPolarHBondContact CD2-CG1 3.45Å; L229-I252 HydrophobicContact CD2-CD1 3.58Å; L229-I252 HydrophobicContact CD2-CG1 3.92Å; L229-I252 HydrophobicContact CD2-CG2 4.3Å; I233-I252 HydrophobicContact CD1-CG2 4.42Å; S248-I252 VanDerWaalsContact O-CG1 3.25Å; S248-I252 WeakPolarHBondContact O-CG1 3.29Å; S248-I252 PolarHBondContact O-N 3.22Å; F249-I252 PolarHBondContact O-N 2.64Å; I252-K254 VanDerWaalsContact C-N 3.34Å; I252-K254 PolarHBondContact O-N 3.33Å; I252-L255 PolarHBondContact O-N 3.2Å; I252-F256 VanDerWaalsContact O-CB 3.29Å; I252-F256 WeakPolarHBondContact O-CB 3.46Å; I252-F256 PolarHBondContact O-N 3.31Å
253	M	90.9	Very high	88	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-35.7	-179.4	-68	-58.7	94.7	0	0	112.8	I242 F249 M250 F256 Q257 I268 W291 V297 V301	I242-M253 HydrophobicContact CD1-CE 3.51Å; F249-M253 HydrophobicContact CD1-CG 4.28Å; F249-M253 HydrophobicContact CD2-CG 4.1Å; F249-M253 HydrophobicContact CE1-CG 3.83Å; F249-M253 HydrophobicContact CE2-CE 4.1Å; F249-M253 HydrophobicContact CE2-CG 3.63Å; F249-M253 HydrophobicContact CE2-SD 3.81Å; F249-M253 HydrophobicContact CG-CG 4.41Å; F249-M253 HydrophobicContact CZ-CG 3.48Å; F249-M253 VanDerWaalsContact CZ-CG 3.48Å; F249-M253 HydrophobicContact CZ-SD 3.89Å; F249-M253 WeakPolarHBondContact O-CG 3.34Å; F249-M253 PolarHBondContact O-N 3.16Å; M250-M253 PolarHBondContact O-N 3.4Å; M253-F256 HydrophobicContact CE-CB 4.45Å; M253-F256 PolarHBondContact O-N 3.29Å; M253-Q257 PolarHBondContact O-N 3.38Å; M253-I268 HydrophobicContact CE-CD1 4.03Å; M253-I268 HydrophobicContact CE-CG2 4.14Å; M253-I268 HydrophobicContact SD-CD1 3.66Å; M253-I268 HydrophobicContact SD-CG2 3.97Å; M253-W291 HydrophobicContact CB-CH2 3.88Å; M253-W291 HydrophobicContact CB-CZ3 4.33Å; M253-V297 HydrophobicContact CB-CG1 4.37Å; M253-V297 HydrophobicContact SD-CG1 4.28Å; M253-V301 HydrophobicContact SD-CG2 4.14Å
254	K	88.1	Confident	87.4	Confident	79 Å²	79	44.8 Å²	44.8	34%	0.343	24%	0.237	S	C	.	.	H	α-helix	trans	-62.9	-48.2	174.2	-175.9	175.5	178.4	175.7	0	111.8	M250 I252 F256 Q257 E258	M250-K254 PolarHBondContact O-N 2.89Å; I252-K254 VanDerWaalsContact C-N 3.34Å; I252-K254 PolarHBondContact O-N 3.33Å; K254-F256 VanDerWaalsContact C-N 3.3Å; K254-F256 PolarHBondContact O-N 2.94Å; K254-Q257 WeakPolarHBondContact O-CB 3.25Å; K254-Q257 PolarHBondContact O-N 3.06Å; K254-E258 WeakPolarHBondContact CE-OE1 3.45Å; K254-E258 WeakPolarHBondContact O-CG 3.19Å; K254-E258 PolarHBondContact O-N 3.35Å
255	L	88.8	Confident	87.2	Confident	38 Å²	38	47.9 Å²	47.9	20%	0.199	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-35.8	176.4	-72.2	168.3	0	0	0	112	H226 K227 V230 S251 I252 Q257 E258 D259	H226-L255 HydrophobicContact CB-CD1 3.6Å; K227-L255 HydrophobicContact CG-CD2 4.38Å; V230-L255 HydrophobicContact CG2-CB 4Å; S251-L255 PolarHBondContact O-N 3.16Å; I252-L255 PolarHBondContact O-N 3.2Å; L255-Q257 VanDerWaalsContact C-N 3.31Å; L255-Q257 PolarHBondContact O-N 3.34Å; L255-E258 PolarHBondContact O-N 3.44Å; L255-D259 WeakPolarHBondContact O-CB 3.36Å; L255-D259 PolarHBondContact O-N 2.82Å
256	F	90.4	Very high	87.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-40.1	174.7	-176.6	-97.5	0	0	0	111.4	V230 I233 I252 M253 K254 T260 P263 Y266 I268 V297	V230-F256 HydrophobicContact CG1-CD2 4.19Å; V230-F256 HydrophobicContact CG2-CB 4.34Å; I233-F256 HydrophobicContact CG2-CD2 4.25Å; I233-F256 HydrophobicContact CG2-CE2 3.72Å; I252-F256 VanDerWaalsContact O-CB 3.29Å; I252-F256 WeakPolarHBondContact O-CB 3.46Å; I252-F256 PolarHBondContact O-N 3.31Å; M253-F256 HydrophobicContact CE-CB 4.45Å; M253-F256 PolarHBondContact O-N 3.29Å; K254-F256 VanDerWaalsContact C-N 3.3Å; K254-F256 PolarHBondContact O-N 2.94Å; F256-T260 WeakPolarHBondContact CD2-OG1 3.48Å; F256-T260 HydrophobicContact CE1-CG2 4.49Å; F256-T260 HydrophobicContact CE2-CG2 4.02Å; F256-T260 WeakPolarHBondContact CE2-OG1 3.35Å; F256-T260 HydrophobicContact CZ-CG2 3.9Å; F256-T260 WeakPolarHBondContact O-CB 3.42Å; F256-T260 PolarHBondContact O-N 3Å; F256-T260 VanDerWaalsContact O-N 3.09Å; F256-T260 PolarHBondContact O-OG1 3.01Å; F256-P263 HydrophobicContact CD1-CB 4.48Å; F256-P263 HydrophobicContact CE1-CB 3.77Å; F256-Y266 HydrophobicContact CE2-CD1 4.3Å; F256-Y266 HydrophobicContact CE2-CE1 4.26Å; F256-Y266 HydrophobicContact CE2-CG 4.46Å; F256-Y266 AromaticContact CZ-CD1 3.99Å; F256-Y266 HydrophobicContact CZ-CD1 3.99Å; F256-Y266 AromaticContact CZ-CD2 3.74Å; F256-Y266 HydrophobicContact CZ-CD2 3.74Å; F256-Y266 HydrophobicContact CZ-CE1 4.27Å; F256-Y266 HydrophobicContact CZ-CE2 4.04Å; F256-Y266 AromaticContact CZ-CG 3.72Å; F256-Y266 HydrophobicContact CZ-CG 3.72Å; F256-I268 HydrophobicContact CD1-CD1 3.99Å; F256-I268 HydrophobicContact CE1-CD1 3.73Å; F256-I268 HydrophobicContact CZ-CD1 4.14Å; F256-V297 HydrophobicContact CD1-CG1 4.3Å
257	Q	88.1	Confident	87.6	Confident	49 Å²	49	45.2 Å²	45.2	23%	0.229	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-44.9	173.1	-163.5	169.2	24.8	0	0	112.8	M253 K254 L255 W291 N293 V297	M253-Q257 PolarHBondContact O-N 3.38Å; K254-Q257 WeakPolarHBondContact O-CB 3.25Å; K254-Q257 PolarHBondContact O-N 3.06Å; L255-Q257 VanDerWaalsContact C-N 3.31Å; L255-Q257 PolarHBondContact O-N 3.34Å; Q257-W291 HydrophobicContact CB-CZ2 4.43Å; Q257-W291 VanDerWaalsContact OE1-CE2 3.24Å; Q257-W291 VanDerWaalsContact OE1-CZ2 3.23Å; Q257-N293 PolarHBondContact NE2-O 3.08Å; Q257-V297 HydrophobicContact CB-CG2 3.42Å; Q257-V297 VanDerWaalsContact CB-CG2 3.42Å; Q257-V297 HydrophobicContact CG-CG2 3.33Å
258	E	85.8	Confident	88	Confident	133 Å²	133	39.7 Å²	39.7	62%	0.621	21%	0.21	S	C	*	.	H	α-helix	trans	-74	-33.7	-172.3	-70.2	174.1	-173	0	0	112	K254 L255	K254-E258 WeakPolarHBondContact CE-OE1 3.45Å; K254-E258 WeakPolarHBondContact O-CG 3.19Å; K254-E258 PolarHBondContact O-N 3.35Å; L255-E258 PolarHBondContact O-N 3.44Å
259	D	86.7	Confident	88.3	Confident	83 Å²	83	39.2 Å²	39.2	44%	0.444	21%	0.207	S	C	.	.	H	α-helix	trans	-109.8	-0.9	-169.2	-166.2	49.6	0	0	0	114.2	V230 K234 L255	V230-D259 HydrophobicContact CG1-CB 4.19Å; K234-D259 VanDerWaalsContact NZ-CG 3.31Å; K234-D259 PolarHBondContact NZ-O 2.94Å; K234-D259 IonicContact NZ-OD1 2.84Å; K234-D259 IonicContact NZ-OD2 2.8Å; K234-D259 PolarHBondContact NZ-OD2 3.25Å; L255-D259 WeakPolarHBondContact O-CB 3.36Å; L255-D259 PolarHBondContact O-N 2.82Å
260	T	84.3	Confident	88.6	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.055	21%	0.208	C	C	.	.			trans	-118.3	115.1	178.4	-48	0	0	0	0	110.6	F256 D262 Y266	F256-T260 WeakPolarHBondContact CD2-OG1 3.48Å; F256-T260 HydrophobicContact CE1-CG2 4.49Å; F256-T260 HydrophobicContact CE2-CG2 4.02Å; F256-T260 WeakPolarHBondContact CE2-OG1 3.35Å; F256-T260 HydrophobicContact CZ-CG2 3.9Å; F256-T260 WeakPolarHBondContact O-CB 3.42Å; F256-T260 PolarHBondContact O-N 3Å; F256-T260 VanDerWaalsContact O-N 3.09Å; F256-T260 PolarHBondContact O-OG1 3.01Å; T260-D262 PolarHBondContact O-N 3.16Å; T260-Y266 HydrophobicContact CG2-CE2 3.78Å
261	P	76.1	Confident	88.9	Confident	110 Å²	110	39.3 Å²	39.3	71%	0.714	21%	0.207	S	C	*	.	S	Bend	trans	-69.2	-33.6	-175.6	23.7	-31.2	0	0	0	113.8	P263	P261-P263 WeakPolarHBondContact O-CD 3.29Å
262	D	82.6	Confident	89.1	Confident	86 Å²	86	38.1 Å²	38.1	46%	0.46	20%	0.198	S	C	.	.			trans	-123.9	71.4	-175.4	-49.9	-55	0	0	0	112.3	T260 E264 N265	T260-D262 PolarHBondContact O-N 3.16Å; D262-E264 PolarHBondContact O-N 3.1Å; D262-N265 WeakPolarHBondContact CB-ND2 3.04Å; D262-N265 PolarHBondContact O-N 2.95Å
263	P	84.2	Confident	89.2	Confident	29 Å²	29	38.8 Å²	38.8	19%	0.188	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-66.8	-15.5	-178.6	28.1	-35.4	0	0	0	113.6	F256 P261 N265 Y266 S300	F256-P263 HydrophobicContact CD1-CB 4.48Å; F256-P263 HydrophobicContact CE1-CB 3.77Å; P261-P263 WeakPolarHBondContact O-CD 3.29Å; P263-N265 VanDerWaalsContact C-N 3.25Å; P263-N265 PolarHBondContact O-N 2.85Å; P263-Y266 PolarHBondContact O-N 3.33Å; P263-S300 WeakPolarHBondContact O-CB 3.31Å; P263-S300 PolarHBondContact O-OG 2.92Å
264	E	84.1	Confident	89.3	Confident	85 Å²	85	41 Å²	41	40%	0.397	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-66.1	-23.2	176.1	50	173.7	-148.5	0	0	114.3	D262 Y266 P437	D262-E264 PolarHBondContact O-N 3.1Å; E264-Y266 PolarHBondContact O-N 3.17Å; E264-P437 HydrophobicContact CB-CB 3.56Å; E264-P437 HydrophobicContact CB-CG 4.33Å
265	N	87.8	Confident	89.3	Confident	67 Å²	67	37.7 Å²	37.7	36%	0.358	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-84.9	9	-179.2	-70	-49.4	0	0	0	113.6	R238 D262 P263 P442	R238-N265 WeakPolarHBondContact CD-O 3.44Å; D262-N265 WeakPolarHBondContact CB-ND2 3.04Å; D262-N265 PolarHBondContact O-N 2.95Å; P263-N265 VanDerWaalsContact C-N 3.25Å; P263-N265 PolarHBondContact O-N 2.85Å; N265-P442 VanDerWaalsContact O-CB 3.28Å; N265-P442 WeakPolarHBondContact O-CB 3.46Å
266	Y	91.8	Very high	89.1	Confident	11 Å²	11	40.5 Å²	40.5	4%	0.043	21%	0.213	C	C	.	.			trans	-117.9	147.1	-178.1	-66.7	-103.3	0	0	0	110.5	I233 G237 R238 I240 F256 T260 P263 E264 S300	I233-Y266 HydrophobicContact CG2-CD1 4.14Å; I233-Y266 HydrophobicContact CG2-CE1 3.82Å; G237-Y266 WeakPolarHBondContact O-CE1 3.22Å; R238-Y266 VanDerWaalsContact CD-CE1 3.45Å; R238-Y266 PolarHBondContact NH1-OH 2.89Å; R238-Y266 VanDerWaalsContact NH1-OH 3.14Å; R238-Y266 WeakPolarHBondContact O-CA 3.49Å; I240-Y266 HydrophobicContact CG1-CD1 4.28Å; F256-Y266 HydrophobicContact CE2-CD1 4.3Å; F256-Y266 HydrophobicContact CE2-CE1 4.26Å; F256-Y266 HydrophobicContact CE2-CG 4.46Å; F256-Y266 AromaticContact CZ-CD1 3.99Å; F256-Y266 HydrophobicContact CZ-CD1 3.99Å; F256-Y266 AromaticContact CZ-CD2 3.74Å; F256-Y266 HydrophobicContact CZ-CD2 3.74Å; F256-Y266 HydrophobicContact CZ-CE1 4.27Å; F256-Y266 HydrophobicContact CZ-CE2 4.04Å; F256-Y266 AromaticContact CZ-CG 3.72Å; F256-Y266 HydrophobicContact CZ-CG 3.72Å; T260-Y266 HydrophobicContact CG2-CE2 3.78Å; P263-Y266 PolarHBondContact O-N 3.33Å; E264-Y266 PolarHBondContact O-N 3.17Å; Y266-S300 WeakPolarHBondContact O-CB 3.28Å
267	A	94.5	Very high	88.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110.4	164.6	0	0	0	0	0	107.6	W178 R238 I239 I240 L269 F302 W436 P442	W178-A267 HydrophobicContact CH2-CB 4.09Å; W178-A267 HydrophobicContact CZ2-CB 4.18Å; R238-A267 PolarHBondContact O-N 3.46Å; I239-A267 HydrophobicContact CD1-CB 3.87Å; I240-A267 PolarHBondContact N-O 3.4Å; A267-L269 HydrophobicContact CB-CD1 4.32Å; A267-F302 HydrophobicContact CB-CE2 4.33Å; A267-W436 HydrophobicContact CB-CH2 4.49Å; A267-W436 HydrophobicContact CB-CZ3 4.26Å; A267-P442 HydrophobicContact CB-CG 3.73Å
268	I	95.4	Very high	88.4	Confident	2 Å²	2	39 Å²	39	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109.2	-178.6	-57.1	175.8	0	0	0	108.2	I240 I242 F249 M253 F256 S300 V301 F302	I240-I268 CarbonylContact O-C 3.58Å; I240-I268 WeakPolarHBondContact O-CA 3.22Å; I242-I268 HydrophobicContact CD1-CG2 3.81Å; I242-I268 HydrophobicContact CG1-CG2 4.32Å; F249-I268 HydrophobicContact CE2-CG2 4.19Å; M253-I268 HydrophobicContact CE-CD1 4.03Å; M253-I268 HydrophobicContact CE-CG2 4.14Å; M253-I268 HydrophobicContact SD-CD1 3.66Å; M253-I268 HydrophobicContact SD-CG2 3.97Å; F256-I268 HydrophobicContact CD1-CD1 3.99Å; F256-I268 HydrophobicContact CE1-CD1 3.73Å; F256-I268 HydrophobicContact CZ-CD1 4.14Å; I268-S300 PolarHBondContact N-O 3.06Å; I268-V301 HydrophobicContact CB-CG2 4.14Å; I268-V301 HydrophobicContact CD1-CG2 4.49Å; I268-V301 HydrophobicContact CG2-CG2 4.36Å; I268-V301 CarbonylContact O-C 3.53Å; I268-V301 VanDerWaalsContact O-CA 3.31Å; I268-V301 WeakPolarHBondContact O-CA 3.27Å; I268-F302 PolarHBondContact O-N 3.41Å
269	L	96.4	Very high	87.8	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	106.4	179.2	-60.2	99.8	0	0	0	109.3	L172 I239 I240 Y241 I242 A267 F302 I304	L172-L269 HydrophobicContact CD2-CD2 3.45Å; L172-L269 VanDerWaalsContact CD2-CD2 3.45Å; I239-L269 HydrophobicContact CG2-CD1 3.89Å; I240-L269 PolarHBondContact O-N 2.97Å; Y241-L269 CarbonylContact C-O 3.6Å; Y241-L269 WeakPolarHBondContact CA-O 3.44Å; Y241-L269 HydrophobicContact CD1-CB 3.7Å; Y241-L269 HydrophobicContact CD1-CD1 4.36Å; Y241-L269 HydrophobicContact CD1-CG 4.41Å; Y241-L269 HydrophobicContact CE1-CB 3.87Å; Y241-L269 HydrophobicContact CE1-CD1 3.99Å; Y241-L269 HydrophobicContact CE1-CD2 3.85Å; Y241-L269 HydrophobicContact CE1-CG 4.11Å; I242-L269 PolarHBondContact N-O 3.4Å; A267-L269 HydrophobicContact CB-CD1 4.32Å; L269-F302 CarbonylContact C-O 3.53Å; L269-F302 WeakPolarHBondContact CA-O 3.21Å; L269-F302 HydrophobicContact CG-CB 4.3Å; L269-I304 HydrophobicContact CB-CD1 4.12Å; L269-I304 HydrophobicContact CD2-CD1 3.95Å
270	Y	96.3	Very high	87.3	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.2	176.2	179.8	-127.2	0	0	0	110.2	I242 G244 L246 F249 D272 F302 I303 I304	I242-Y270 HydrophobicContact CB-CD2 4.45Å; I242-Y270 WeakPolarHBondContact O-CD2 3.42Å; G244-Y270 PolarHBondContact O-OH 2.9Å; G244-Y270 VanDerWaalsContact O-OH 3.05Å; L246-Y270 WeakPolarHBondContact CA-OH 3.44Å; L246-Y270 HydrophobicContact CD1-CE1 4.13Å; L246-Y270 PolarHBondContact N-OH 2.9Å; F249-Y270 HydrophobicContact CB-CD2 4.11Å; F249-Y270 HydrophobicContact CB-CE2 3.65Å; F249-Y270 HydrophobicContact CD1-CD1 4.09Å; F249-Y270 HydrophobicContact CD1-CD2 4.2Å; F249-Y270 HydrophobicContact CD1-CE1 4.16Å; F249-Y270 HydrophobicContact CD1-CE2 4.28Å; F249-Y270 HydrophobicContact CD1-CG 4.12Å; F249-Y270 AromaticContact CD2-CD2 3.4Å; F249-Y270 HydrophobicContact CD2-CD2 3.4Å; F249-Y270 VanDerWaalsContact CD2-CD2 3.4Å; F249-Y270 AromaticContact CD2-CE2 3.88Å; F249-Y270 HydrophobicContact CD2-CE2 3.88Å; F249-Y270 AromaticContact CD2-CG 3.83Å; F249-Y270 HydrophobicContact CD2-CG 3.83Å; F249-Y270 HydrophobicContact CE1-CD1 4.1Å; F249-Y270 HydrophobicContact CE1-CG 4.09Å; F249-Y270 AromaticContact CE2-CD2 3.81Å; F249-Y270 HydrophobicContact CE2-CD2 3.81Å; F249-Y270 AromaticContact CE2-CG 3.79Å; F249-Y270 HydrophobicContact CE2-CG 3.79Å; F249-Y270 HydrophobicContact CG-CD1 4.34Å; F249-Y270 AromaticContact CG-CD2 3.62Å; F249-Y270 HydrophobicContact CG-CD2 3.62Å; F249-Y270 HydrophobicContact CG-CE1 4.36Å; F249-Y270 AromaticContact CG-CE2 3.66Å; F249-Y270 HydrophobicContact CG-CE2 3.66Å; F249-Y270 AromaticContact CG-CG 4Å; F249-Y270 HydrophobicContact CG-CG 4Å; F249-Y270 HydrophobicContact CZ-CD1 4.36Å; F249-Y270 HydrophobicContact CZ-CD2 4.37Å; F249-Y270 AromaticContact CZ-CG 3.93Å; F249-Y270 HydrophobicContact CZ-CG 3.93Å; Y270-D272 HydrophobicContact CD1-CB 3.89Å; Y270-D272 HydrophobicContact CE1-CB 3.58Å; Y270-D272 PolarHBondContact O-N 3.44Å; Y270-F302 PolarHBondContact N-O 2.92Å; Y270-I303 HydrophobicContact CD1-CG1 4.32Å; Y270-I303 HydrophobicContact CD1-CG2 4.46Å; Y270-I303 WeakPolarHBondContact O-CA 3.44Å; Y270-I304 PolarHBondContact O-N 3.24Å
271	L	95.1	Very high	87.2	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	87.5	178.7	-78.9	88.3	0	0	0	110.6	I165 I203 Y241 I242 I304	I165-L271 HydrophobicContact CG2-CD2 4.13Å; I203-L271 HydrophobicContact CD1-CD1 3.65Å; I203-L271 HydrophobicContact CD1-CD2 3.47Å; I203-L271 VanDerWaalsContact CD1-CD2 3.47Å; I203-L271 HydrophobicContact CD1-CG 4.2Å; I203-L271 HydrophobicContact CG1-CD2 4.28Å; Y241-L271 HydrophobicContact CD1-CD1 3.98Å; I242-L271 PolarHBondContact O-N 2.94Å; L271-I304 HydrophobicContact CD1-CD1 4.5Å; L271-I304 HydrophobicContact CG-CD1 4.45Å
272	D	93.8	Very high	87.6	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.053	20%	0.201	C	C	.	.			trans	-103.3	69.1	172.3	-172.6	4.6	0	0	0	109.7	Y270 F274 G275 E276 S277 I303 I304 T305	Y270-D272 HydrophobicContact CD1-CB 3.89Å; Y270-D272 HydrophobicContact CE1-CB 3.58Å; Y270-D272 PolarHBondContact O-N 3.44Å; D272-F274 PolarHBondContact O-N 3.19Å; D272-G275 PolarHBondContact O-N 3.21Å; D272-G275 PolarHBondContact OD1-N 3.47Å; D272-G275 VanDerWaalsContact OD1-N 3.1Å; D272-G275 VanDerWaalsContact OD2-C 3.27Å; D272-G275 WeakPolarHBondContact OD2-CA 3.4Å; D272-E276 VanDerWaalsContact CG-N 3.33Å; D272-E276 PolarHBondContact OD1-N 2.89Å; D272-E276 PolarHBondContact OD2-N 3.41Å; D272-S277 WeakPolarHBondContact OD2-CB 3.43Å; D272-S277 PolarHBondContact OD2-N 2.8Å; D272-S277 PolarHBondContact OD2-OG 2.84Å; D272-I303 HydrophobicContact CB-CG2 3.77Å; D272-I304 CarbonylContact C-O 3.57Å; D272-I304 VanDerWaalsContact C-O 3.27Å; D272-I304 PolarHBondContact N-O 3.29Å; D272-T305 VanDerWaalsContact O-CG2 3.23Å; D272-T305 WeakPolarHBondContact O-CG2 3.03Å
273	V	92.6	Very high	87.5	Confident	15 Å²	15	36.1 Å²	36.1	9%	0.091	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.6	-169.2	-63.2	0	0	0	0	113.9	I165 L199 Y306	I165-V273 HydrophobicContact CD1-CG1 3.98Å; L199-V273 HydrophobicContact CD1-CG1 4.19Å; L199-V273 HydrophobicContact CD1-CG2 4.34Å; L199-V273 HydrophobicContact CD2-CG1 3.97Å; V273-Y306 HydrophobicContact CB-CD2 4.07Å; V273-Y306 HydrophobicContact CB-CE1 4.34Å; V273-Y306 HydrophobicContact CB-CE2 3.65Å; V273-Y306 HydrophobicContact CG1-CE1 4.49Å; V273-Y306 HydrophobicContact CG2-CE2 3.97Å; V273-Y306 WeakPolarHBondContact O-CD2 2.97Å; V273-Y306 PolarHBondContact O-N 3.27Å
274	F	91.6	Very high	87.1	Confident	45 Å²	45	36.2 Å²	36.2	20%	0.197	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	2.7	176.9	-63.6	-60.7	0	0	0	114.4	A48 D272 E276 Y306 L337 M338 I341	A48-F274 HydrophobicContact CB-CE1 4.13Å; A48-F274 HydrophobicContact CB-CE2 4.3Å; A48-F274 HydrophobicContact CB-CZ 3.73Å; D272-F274 PolarHBondContact O-N 3.19Å; F274-E276 PolarHBondContact O-N 3.08Å; F274-Y306 HydrophobicContact CD1-CD2 4.26Å; F274-Y306 HydrophobicContact CD1-CE2 4.44Å; F274-Y306 HydrophobicContact CE1-CD2 4.11Å; F274-Y306 AromaticContact CE1-CE2 3.98Å; F274-Y306 HydrophobicContact CE1-CE2 3.98Å; F274-Y306 HydrophobicContact CZ-CE2 4.3Å; F274-L337 HydrophobicContact CB-CB 4.41Å; F274-L337 HydrophobicContact CD1-CB 4.2Å; F274-L337 WeakPolarHBondContact O-CB 3.12Å; F274-M338 HydrophobicContact CB-CG 4.44Å; F274-M338 HydrophobicContact CD1-CG 4.05Å; F274-M338 HydrophobicContact CE1-CG 4.47Å; F274-M338 HydrophobicContact CG-CG 4.12Å; F274-I341 HydrophobicContact CE1-CD1 4.1Å; F274-I341 HydrophobicContact CE1-CG1 3.78Å; F274-I341 HydrophobicContact CZ-CD1 4.37Å; F274-I341 HydrophobicContact CZ-CG1 4.11Å
275	G	88.9	Confident	86.6	Confident	11 Å²	11	37.7 Å²	37.7	11%	0.113	18%	0.183	C	C	.	.			trans	65.1	32.9	172.7	0	0	0	0	0	114.5	D272 S277 L278	D272-G275 PolarHBondContact O-N 3.21Å; D272-G275 PolarHBondContact OD1-N 3.47Å; D272-G275 VanDerWaalsContact OD1-N 3.1Å; D272-G275 VanDerWaalsContact OD2-C 3.27Å; D272-G275 WeakPolarHBondContact OD2-CA 3.4Å; G275-S277 PolarHBondContact O-N 3.43Å; G275-L278 PolarHBondContact O-N 3.01Å; G275-L278 VanDerWaalsContact O-N 3.08Å
276	E	83.9	Confident	85.5	Confident	97 Å²	97	39.5 Å²	39.5	45%	0.453	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-60.6	-30.9	-179.7	-67.2	-174.9	177.6	0	0	113.2	D272 F274 K286	D272-E276 VanDerWaalsContact CG-N 3.33Å; D272-E276 PolarHBondContact OD1-N 2.89Å; D272-E276 PolarHBondContact OD2-N 3.41Å; F274-E276 PolarHBondContact O-N 3.08Å; E276-K286 PolarHBondContact O-NZ 2.8Å; E276-K286 VanDerWaalsContact O-NZ 3.16Å
277	S	82.2	Confident	83.9	Confident	1 Å²	1	40 Å²	40	1%	0.007	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-77.4	-17.6	177.3	66.7	0	0	0	0	113.8	D272 G275 P283	D272-S277 WeakPolarHBondContact OD2-CB 3.43Å; D272-S277 PolarHBondContact OD2-N 2.8Å; D272-S277 PolarHBondContact OD2-OG 2.84Å; G275-S277 PolarHBondContact O-N 3.43Å; S277-P283 VanDerWaalsContact O-CA 3.31Å; S277-P283 WeakPolarHBondContact O-CA 3.28Å
278	L	83.3	Confident	82.1	Confident	17 Å²	17	48.4 Å²	48.4	9%	0.089	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-99.2	6.6	-167.2	-68.4	173.8	0	0	0	114.6	G275 D280 R281 P283 I303 T305 W403 F413	G275-L278 PolarHBondContact O-N 3.01Å; G275-L278 VanDerWaalsContact O-N 3.08Å; L278-D280 VanDerWaalsContact C-N 3.26Å; L278-D280 PolarHBondContact O-N 3.13Å; L278-R281 PolarHBondContact O-N 3.2Å; L278-P283 HydrophobicContact CD2-CG 4.26Å; L278-I303 HydrophobicContact CD1-CG2 3.97Å; L278-I303 HydrophobicContact CD2-CD1 3.78Å; L278-I303 HydrophobicContact CG-CD1 4.37Å; L278-I303 HydrophobicContact CG-CG2 4.35Å; L278-T305 HydrophobicContact CD1-CG2 3.57Å; L278-W403 HydrophobicContact CD1-CB 4.42Å; L278-W403 HydrophobicContact CD1-CD2 3.56Å; L278-W403 HydrophobicContact CD1-CE3 4.09Å; L278-W403 HydrophobicContact CD1-CG 3.7Å; L278-W403 HydrophobicContact CD1-CZ2 4.17Å; L278-W403 HydrophobicContact CD2-CD2 4.42Å; L278-W403 HydrophobicContact CD2-CE3 4.26Å; L278-F413 HydrophobicContact CD2-CB 4.08Å
279	T	73.2	Confident	80.4	Confident	84 Å²	84	52.7 Å²	52.7	52%	0.515	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-37.9	-176.1	48.9	0	0	0	0	113.8	K286	T279-K286 PolarHBondContact OG1-NZ 3.21Å
280	D	74.6	Confident	78.7	Confident	98 Å²	98	60.7 Å²	60.7	52%	0.524	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	14	178.4	-58.6	-60.2	0	0	0	112.7	L278 K282	L278-D280 VanDerWaalsContact C-N 3.26Å; L278-D280 PolarHBondContact O-N 3.13Å; D280-K282 PolarHBondContact O-N 3.31Å
281	R	83.1	Confident	77.6	Confident	141 Å²	141	62.3 Å²	62.3	53%	0.532	31%	0.307	S	S	.	.	S	Bend	trans	55	9.5	-172	-58.5	-175.7	174.3	-167.6	-4.5	115.3	L278 F413	L278-R281 PolarHBondContact O-N 3.2Å; R281-F413 WeakPolarHBondContact O-CB 3.1Å; R281-F413 PolarHBondContact O-N 2.98Å
282	K	83.2	Confident	76.2	Confident	36 Å²	36	66.7 Å²	66.7	16%	0.157	34%	0.343	C	S	.	.			trans	-129.6	89.2	179	-65.3	-175.6	-175	-170.7	0	109.1	D280 W284 Q285 T410 E412	D280-K282 PolarHBondContact O-N 3.31Å; K282-W284 HydrophobicContact CB-CZ2 4.46Å; K282-W284 PolarHBondContact O-N 2.7Å; K282-Q285 HydrophobicContact CB-CB 4.19Å; K282-Q285 HydrophobicContact CB-CG 3.8Å; K282-Q285 VanDerWaalsContact CD-CD 3.44Å; K282-Q285 HydrophobicContact CD-CG 4.3Å; K282-Q285 PolarHBondContact O-N 2.97Å; K282-T410 WeakPolarHBondContact CE-O 3.29Å; K282-T410 PolarHBondContact NZ-O 3.46Å; K282-E412 HydrophobicContact CG-CG 4.38Å; K282-E412 IonicContact NZ-OE1 3.95Å
283	P	80.6	Confident	75.3	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-37.6	-172	-31.2	35.5	0	0	0	115.4	M250 S277 L278 F298 I303 F413	M250-P283 VanDerWaalsContact CE-C 3.4Å; M250-P283 HydrophobicContact CE-CB 3.86Å; M250-P283 WeakPolarHBondContact CE-O 3.25Å; S277-P283 VanDerWaalsContact O-CA 3.31Å; S277-P283 WeakPolarHBondContact O-CA 3.28Å; L278-P283 HydrophobicContact CD2-CG 4.26Å; P283-F298 HydrophobicContact CB-CD1 4.39Å; P283-F298 HydrophobicContact CB-CE1 3.68Å; P283-F298 HydrophobicContact CB-CZ 4.3Å; P283-F298 HydrophobicContact CG-CD1 4.42Å; P283-F298 HydrophobicContact CG-CE1 4.13Å; P283-I303 HydrophobicContact CB-CD1 4.21Å; P283-I303 HydrophobicContact CG-CD1 3.43Å; P283-I303 VanDerWaalsContact CG-CD1 3.43Å; P283-F413 HydrophobicContact CG-CD2 4.25Å; P283-F413 HydrophobicContact CG-CE2 4.39Å; P283-F413 HydrophobicContact CG-CG 4.39Å
284	W	76.6	Confident	74.8	Confident	31 Å²	31	70.8 Å²	70.8	12%	0.117	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.3	-175.7	56.7	89.7	0	0	0	114.7	M250 K282 A294 V295 F298 M405 G411 F413	M250-W284 HydrophobicContact CE-CB 4.5Å; M250-W284 HydrophobicContact SD-CB 4.31Å; K282-W284 HydrophobicContact CB-CZ2 4.46Å; K282-W284 PolarHBondContact O-N 2.7Å; W284-A294 HydrophobicContact CB-CB 4.04Å; W284-A294 HydrophobicContact CD2-CB 4Å; W284-A294 HydrophobicContact CG-CB 3.68Å; W284-V295 HydrophobicContact CH2-CG2 4.49Å; W284-V295 HydrophobicContact CZ2-CG2 3.92Å; W284-F298 HydrophobicContact CB-CE2 4.39Å; W284-F298 HydrophobicContact CE3-CB 4.1Å; W284-F298 AromaticContact CE3-CD1 3.65Å; W284-F298 HydrophobicContact CE3-CD1 3.65Å; W284-F298 AromaticContact CE3-CD2 3.71Å; W284-F298 HydrophobicContact CE3-CD2 3.71Å; W284-F298 AromaticContact CE3-CE1 3.93Å; W284-F298 HydrophobicContact CE3-CE1 3.93Å; W284-F298 AromaticContact CE3-CE2 3.96Å; W284-F298 HydrophobicContact CE3-CE2 3.96Å; W284-F298 AromaticContact CE3-CG 3.52Å; W284-F298 HydrophobicContact CE3-CG 3.52Å; W284-F298 HydrophobicContact CE3-CZ 4.08Å; W284-F298 HydrophobicContact CH2-CB 4.32Å; W284-F298 HydrophobicContact CZ3-CB 3.57Å; W284-F298 AromaticContact CZ3-CD1 3.63Å; W284-F298 HydrophobicContact CZ3-CD1 3.63Å; W284-F298 HydrophobicContact CZ3-CD2 4.09Å; W284-F298 HydrophobicContact CZ3-CE1 4.34Å; W284-F298 AromaticContact CZ3-CG 3.48Å; W284-F298 HydrophobicContact CZ3-CG 3.48Å; W284-F298 VanDerWaalsContact CZ3-CG 3.48Å; W284-M405 HydrophobicContact CH2-CE 3.84Å; W284-M405 HydrophobicContact CZ3-CE 4.23Å; W284-G411 WeakPolarHBondContact CH2-O 3.39Å; W284-F413 HydrophobicContact CH2-CE2 4.12Å; W284-F413 HydrophobicContact CZ3-CD2 4.26Å; W284-F413 AromaticContact CZ3-CE2 3.67Å; W284-F413 HydrophobicContact CZ3-CE2 3.67Å
285	Q	73.6	Confident	74.4	Confident	116 Å²	116	70.8 Å²	70.8	54%	0.542	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-24	-173.6	-75.5	-168.1	-20.4	0	0	114.3	K282	K282-Q285 HydrophobicContact CB-CB 4.19Å; K282-Q285 HydrophobicContact CB-CG 3.8Å; K282-Q285 VanDerWaalsContact CD-CD 3.44Å; K282-Q285 HydrophobicContact CD-CG 4.3Å; K282-Q285 PolarHBondContact O-N 2.97Å
286	K	65	Low	74.2	Confident	106 Å²	106	75.4 Å²	75.4	46%	0.461	39%	0.387	S	S	.	.	S	Bend	trans	-80.9	-23	-176.3	-163.1	176.9	-174	172.3	0	113.2	E276 T279	E276-K286 PolarHBondContact O-NZ 2.8Å; E276-K286 VanDerWaalsContact O-NZ 3.16Å; T279-K286 PolarHBondContact OG1-NZ 3.21Å
287	A	58.4	Low	74.3	Confident	20 Å²	20	70.8 Å²	70.8	17%	0.165	37%	0.365	C	S	.	.	S	Bend	trans	-82.7	134.7	179.9	0	0	0	0	0	107.8	F289	A287-F289 HydrophobicContact CB-CB 4.44Å; A287-F289 HydrophobicContact CB-CD2 3.45Å; A287-F289 VanDerWaalsContact CB-CD2 3.45Å; A287-F289 HydrophobicContact CB-CE2 4.12Å; A287-F289 HydrophobicContact CB-CG 4.35Å; A287-F289 PolarHBondContact O-N 2.88Å
288	N	55.8	Low	74.7	Confident	177 Å²	177	70.7 Å²	70.7	95%	0.947	37%	0.365	S	S	*	.	S	Bend	trans	-65.9	44.8	174.8	-78.1	-28.5	0	0	0	112.5
289	F	60	Low	75	Confident	93 Å²	93	71.6 Å²	71.6	41%	0.408	37%	0.368	S	S	.	.			trans	-113	111	-175.8	-76.4	-96.9	0	0	0	108.2	A287 W291	A287-F289 HydrophobicContact CB-CB 4.44Å; A287-F289 HydrophobicContact CB-CD2 3.45Å; A287-F289 VanDerWaalsContact CB-CD2 3.45Å; A287-F289 HydrophobicContact CB-CE2 4.12Å; A287-F289 HydrophobicContact CB-CG 4.35Å; A287-F289 PolarHBondContact O-N 2.88Å; F289-W291 PolarHBondContact O-N 3.45Å
290	D	61.6	Low	75.8	Confident	168 Å²	168	67.7 Å²	67.7	90%	0.898	34%	0.344	S	S	*	.			trans	-73.9	89.5	173.6	-155.7	3.3	0	0	0	108.7
291	W	73	Confident	76.7	Confident	39 Å²	39	63 Å²	63	15%	0.148	32%	0.319	C	S	.	.			trans	-119.4	94.9	-175.7	-172.3	11.3	0	0	0	111.4	M250 M253 Q257 F289 N293 A294 V297 F298	M250-W291 HydrophobicContact SD-CZ3 4.4Å; M253-W291 HydrophobicContact CB-CH2 3.88Å; M253-W291 HydrophobicContact CB-CZ3 4.33Å; Q257-W291 HydrophobicContact CB-CZ2 4.43Å; Q257-W291 VanDerWaalsContact OE1-CE2 3.24Å; Q257-W291 VanDerWaalsContact OE1-CZ2 3.23Å; F289-W291 PolarHBondContact O-N 3.45Å; W291-N293 VanDerWaalsContact C-N 3.35Å; W291-N293 PolarHBondContact O-N 3.47Å; W291-A294 HydrophobicContact CB-CB 4.45Å; W291-A294 HydrophobicContact CD2-CB 3.49Å; W291-A294 VanDerWaalsContact CD2-CB 3.49Å; W291-A294 HydrophobicContact CE3-CB 3.6Å; W291-A294 HydrophobicContact CG-CB 3.91Å; W291-A294 HydrophobicContact CH2-CB 4.38Å; W291-A294 HydrophobicContact CZ2-CB 4.29Å; W291-A294 HydrophobicContact CZ3-CB 4.09Å; W291-V297 HydrophobicContact CH2-CB 4.47Å; W291-V297 HydrophobicContact CZ2-CB 4.4Å; W291-V297 HydrophobicContact CZ2-CG2 4.41Å; W291-F298 HydrophobicContact CE3-CE2 4.5Å; W291-F298 HydrophobicContact CH2-CD2 4.22Å; W291-F298 AromaticContact CH2-CE2 3.77Å; W291-F298 HydrophobicContact CH2-CE2 3.77Å; W291-F298 HydrophobicContact CZ3-CD2 4.32Å; W291-F298 AromaticContact CZ3-CE2 3.54Å; W291-F298 HydrophobicContact CZ3-CE2 3.54Å; W291-F298 HydrophobicContact CZ3-CZ 4.48Å
292	A	65.3	Low	77.2	Confident	96 Å²	96	56.6 Å²	56.6	79%	0.793	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.8	-171.4	0	0	0	0	0	115.4
293	N	75.3	Confident	77.8	Confident	109 Å²	109	54.9 Å²	54.9	58%	0.583	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	33	-173.1	-73	-13.9	0	0	0	113.5	Q257 W291 V295	Q257-N293 PolarHBondContact NE2-O 3.08Å; W291-N293 VanDerWaalsContact C-N 3.35Å; W291-N293 PolarHBondContact O-N 3.47Å; N293-V295 VanDerWaalsContact C-N 3.26Å; N293-V295 PolarHBondContact O-N 2.81Å
294	A	80.5	Confident	78.6	Confident	2 Å²	2	55 Å²	55	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-34.6	-178.1	0	0	0	0	0	113.5	W284 W291 E296 V297 F298	W284-A294 HydrophobicContact CB-CB 4.04Å; W284-A294 HydrophobicContact CD2-CB 4Å; W284-A294 HydrophobicContact CG-CB 3.68Å; W291-A294 HydrophobicContact CB-CB 4.45Å; W291-A294 HydrophobicContact CD2-CB 3.49Å; W291-A294 VanDerWaalsContact CD2-CB 3.49Å; W291-A294 HydrophobicContact CE3-CB 3.6Å; W291-A294 HydrophobicContact CG-CB 3.91Å; W291-A294 HydrophobicContact CH2-CB 4.38Å; W291-A294 HydrophobicContact CZ2-CB 4.29Å; W291-A294 HydrophobicContact CZ3-CB 4.09Å; A294-E296 VanDerWaalsContact C-N 3.28Å; A294-E296 PolarHBondContact O-N 3.36Å; A294-V297 PolarHBondContact O-N 2.79Å; A294-F298 HydrophobicContact CB-CD2 4.46Å; A294-F298 VanDerWaalsContact O-CD2 3.3Å; A294-F298 WeakPolarHBondContact O-CD2 3Å; A294-F298 PolarHBondContact O-N 2.85Å
295	V	85.2	Confident	79.5	Confident	44 Å²	44	53.7 Å²	53.7	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-55.3	-41.7	-174.4	179.2	0	0	0	0	112.2	W284 N293 V297 F298 K299 M405	W284-V295 HydrophobicContact CH2-CG2 4.49Å; W284-V295 HydrophobicContact CZ2-CG2 3.92Å; N293-V295 VanDerWaalsContact C-N 3.26Å; N293-V295 PolarHBondContact O-N 2.81Å; V295-V297 PolarHBondContact O-N 3.36Å; V295-F298 PolarHBondContact O-N 3.34Å; V295-K299 WeakPolarHBondContact O-CG 3.44Å; V295-K299 PolarHBondContact O-N 3.46Å; V295-M405 HydrophobicContact CG1-CE 4.02Å; V295-M405 HydrophobicContact CG1-SD 3.98Å
296	E	83.9	Confident	80.5	Confident	108 Å²	108	48.6 Å²	48.6	51%	0.505	26%	0.26	S	S	.	.	H	α-helix	trans	-61.9	-42.7	-176.2	-73.9	-60.3	150.2	0	0	113.4	A294 K299	A294-E296 VanDerWaalsContact C-N 3.28Å; A294-E296 PolarHBondContact O-N 3.36Å; E296-K299 IonicContact OE1-NZ 2.83Å; E296-K299 PolarHBondContact OE1-NZ 2.88Å; E296-K299 IonicContact OE2-NZ 3.93Å; E296-K299 PolarHBondContact OE2-NZ 2.83Å
297	V	86.8	Confident	81.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-72.8	-37	177.8	173.5	0	0	0	0	111.6	M253 F256 Q257 W291 A294 V295 K299 S300	M253-V297 HydrophobicContact CB-CG1 4.37Å; M253-V297 HydrophobicContact SD-CG1 4.28Å; F256-V297 HydrophobicContact CD1-CG1 4.3Å; Q257-V297 HydrophobicContact CB-CG2 3.42Å; Q257-V297 VanDerWaalsContact CB-CG2 3.42Å; Q257-V297 HydrophobicContact CG-CG2 3.33Å; W291-V297 HydrophobicContact CH2-CB 4.47Å; W291-V297 HydrophobicContact CZ2-CB 4.4Å; W291-V297 HydrophobicContact CZ2-CG2 4.41Å; A294-V297 PolarHBondContact O-N 2.79Å; V295-V297 PolarHBondContact O-N 3.36Å; V297-K299 PolarHBondContact O-N 2.85Å; V297-S300 PolarHBondContact O-N 3.32Å; V297-S300 VanDerWaalsContact O-N 3.09Å
298	F	89.4	Confident	83.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-70.2	-12.3	-178.5	-86.2	-96.9	0	0	0	113.8	F249 M250 P283 W284 W291 A294 V295 S300 V301 M405 F413	F249-F298 HydrophobicContact CE1-CE1 4Å; F249-F298 AromaticContact CE1-CZ 3.93Å; F249-F298 HydrophobicContact CE1-CZ 3.93Å; M250-F298 HydrophobicContact CE-CE1 4.37Å; M250-F298 HydrophobicContact CE-CZ 3.76Å; M250-F298 HydrophobicContact SD-CE2 4.28Å; M250-F298 HydrophobicContact SD-CZ 3.73Å; P283-F298 HydrophobicContact CB-CD1 4.39Å; P283-F298 HydrophobicContact CB-CE1 3.68Å; P283-F298 HydrophobicContact CB-CZ 4.3Å; P283-F298 HydrophobicContact CG-CD1 4.42Å; P283-F298 HydrophobicContact CG-CE1 4.13Å; W284-F298 HydrophobicContact CB-CE2 4.39Å; W284-F298 HydrophobicContact CE3-CB 4.1Å; W284-F298 AromaticContact CE3-CD1 3.65Å; W284-F298 HydrophobicContact CE3-CD1 3.65Å; W284-F298 AromaticContact CE3-CD2 3.71Å; W284-F298 HydrophobicContact CE3-CD2 3.71Å; W284-F298 AromaticContact CE3-CE1 3.93Å; W284-F298 HydrophobicContact CE3-CE1 3.93Å; W284-F298 AromaticContact CE3-CE2 3.96Å; W284-F298 HydrophobicContact CE3-CE2 3.96Å; W284-F298 AromaticContact CE3-CG 3.52Å; W284-F298 HydrophobicContact CE3-CG 3.52Å; W284-F298 HydrophobicContact CE3-CZ 4.08Å; W284-F298 HydrophobicContact CH2-CB 4.32Å; W284-F298 HydrophobicContact CZ3-CB 3.57Å; W284-F298 AromaticContact CZ3-CD1 3.63Å; W284-F298 HydrophobicContact CZ3-CD1 3.63Å; W284-F298 HydrophobicContact CZ3-CD2 4.09Å; W284-F298 HydrophobicContact CZ3-CE1 4.34Å; W284-F298 AromaticContact CZ3-CG 3.48Å; W284-F298 HydrophobicContact CZ3-CG 3.48Å; W284-F298 VanDerWaalsContact CZ3-CG 3.48Å; W291-F298 HydrophobicContact CE3-CE2 4.5Å; W291-F298 HydrophobicContact CH2-CD2 4.22Å; W291-F298 AromaticContact CH2-CE2 3.77Å; W291-F298 HydrophobicContact CH2-CE2 3.77Å; W291-F298 HydrophobicContact CZ3-CD2 4.32Å; W291-F298 AromaticContact CZ3-CE2 3.54Å; W291-F298 HydrophobicContact CZ3-CE2 3.54Å; W291-F298 HydrophobicContact CZ3-CZ 4.48Å; A294-F298 HydrophobicContact CB-CD2 4.46Å; A294-F298 VanDerWaalsContact O-CD2 3.3Å; A294-F298 WeakPolarHBondContact O-CD2 3Å; A294-F298 PolarHBondContact O-N 2.85Å; V295-F298 PolarHBondContact O-N 3.34Å; F298-S300 PolarHBondContact O-N 3Å; F298-V301 HydrophobicContact CD1-CB 4.03Å; F298-V301 HydrophobicContact CD1-CG1 4.08Å; F298-V301 HydrophobicContact CD1-CG2 4.27Å; F298-V301 HydrophobicContact CE1-CG1 4.24Å; F298-V301 HydrophobicContact CG-CB 4.49Å; F298-V301 HydrophobicContact CG-CG2 4.42Å; F298-V301 PolarHBondContact O-N 2.77Å; F298-M405 HydrophobicContact CB-CE 3.62Å; F298-F413 HydrophobicContact CB-CE2 4.24Å; F298-F413 HydrophobicContact CB-CZ 4.17Å; F298-F413 HydrophobicContact CD1-CE2 4.15Å; F298-F413 AromaticContact CD1-CZ 3.83Å; F298-F413 HydrophobicContact CD1-CZ 3.83Å
299	K	89	Confident	84.9	Confident	36 Å²	36	39.5 Å²	39.5	16%	0.157	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.4	168.6	-67.3	174	-175.1	169.2	0	112.6	V295 E296 V297 M405 P437	V295-K299 WeakPolarHBondContact O-CG 3.44Å; V295-K299 PolarHBondContact O-N 3.46Å; E296-K299 IonicContact OE1-NZ 2.83Å; E296-K299 PolarHBondContact OE1-NZ 2.88Å; E296-K299 IonicContact OE2-NZ 3.93Å; E296-K299 PolarHBondContact OE2-NZ 2.83Å; V297-K299 PolarHBondContact O-N 2.85Å; K299-M405 HydrophobicContact CG-CE 4.39Å; K299-M405 HydrophobicContact CG-SD 3.92Å; K299-P437 HydrophobicContact CB-CG 3.86Å
300	S	90.6	Very high	86.3	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.014	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	2.4	179.1	-52.2	0	0	0	0	113	P263 Y266 I268 V297 F298	P263-S300 WeakPolarHBondContact O-CB 3.31Å; P263-S300 PolarHBondContact O-OG 2.92Å; Y266-S300 WeakPolarHBondContact O-CB 3.28Å; I268-S300 PolarHBondContact N-O 3.06Å; V297-S300 PolarHBondContact O-N 3.32Å; V297-S300 VanDerWaalsContact O-N 3.09Å; F298-S300 PolarHBondContact O-N 3Å
301	V	93.2	Very high	87.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.9	-176	175.4	0	0	0	0	110.6	F249 M253 I268 F298 I303 F413	F249-V301 HydrophobicContact CZ-CG1 3.83Å; F249-V301 HydrophobicContact CZ-CG2 4.36Å; M253-V301 HydrophobicContact SD-CG2 4.14Å; I268-V301 HydrophobicContact CB-CG2 4.14Å; I268-V301 HydrophobicContact CD1-CG2 4.49Å; I268-V301 HydrophobicContact CG2-CG2 4.36Å; I268-V301 CarbonylContact O-C 3.53Å; I268-V301 VanDerWaalsContact O-CA 3.31Å; I268-V301 WeakPolarHBondContact O-CA 3.27Å; F298-V301 HydrophobicContact CD1-CB 4.03Å; F298-V301 HydrophobicContact CD1-CG1 4.08Å; F298-V301 HydrophobicContact CD1-CG2 4.27Å; F298-V301 HydrophobicContact CE1-CG1 4.24Å; F298-V301 HydrophobicContact CG-CB 4.49Å; F298-V301 HydrophobicContact CG-CG2 4.42Å; F298-V301 PolarHBondContact O-N 2.77Å; V301-I303 HydrophobicContact CG1-CG1 4.33Å; V301-F413 WeakPolarHBondContact O-CE1 3.26Å
302	F	95.1	Very high	88.7	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.4	171	-60.2	-86.2	0	0	0	109.4	A267 I268 L269 Y270 L402 W403 I434 W436	A267-F302 HydrophobicContact CB-CE2 4.33Å; I268-F302 PolarHBondContact O-N 3.41Å; L269-F302 CarbonylContact C-O 3.53Å; L269-F302 WeakPolarHBondContact CA-O 3.21Å; L269-F302 HydrophobicContact CG-CB 4.3Å; Y270-F302 PolarHBondContact N-O 2.92Å; F302-L402 HydrophobicContact CB-CD1 3.98Å; F302-L402 HydrophobicContact CD1-CD1 4.4Å; F302-W403 WeakPolarHBondContact CA-O 3.13Å; F302-I434 HydrophobicContact CE1-CD1 4.05Å; F302-I434 HydrophobicContact CE1-CG1 4.1Å; F302-I434 HydrophobicContact CE1-CG2 3.64Å; F302-I434 HydrophobicContact CZ-CG2 3.76Å; F302-W436 HydrophobicContact CE1-CH2 4.33Å; F302-W436 HydrophobicContact CE2-CE3 4.39Å; F302-W436 AromaticContact CE2-CH2 3.55Å; F302-W436 HydrophobicContact CE2-CH2 3.55Å; F302-W436 AromaticContact CE2-CZ3 3.45Å; F302-W436 HydrophobicContact CE2-CZ3 3.45Å; F302-W436 VanDerWaalsContact CE2-CZ3 3.45Å; F302-W436 HydrophobicContact CZ-CE3 4.03Å; F302-W436 AromaticContact CZ-CH2 3.33Å; F302-W436 HydrophobicContact CZ-CH2 3.33Å; F302-W436 AromaticContact CZ-CZ2 3.93Å; F302-W436 HydrophobicContact CZ-CZ2 3.93Å; F302-W436 AromaticContact CZ-CZ3 3.39Å; F302-W436 HydrophobicContact CZ-CZ3 3.39Å
303	I	95.5	Very high	90	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.5	178.2	-58.3	170.3	0	0	0	108.5	Y270 D272 L278 P283 V301 T305 W403 F413	Y270-I303 HydrophobicContact CD1-CG1 4.32Å; Y270-I303 HydrophobicContact CD1-CG2 4.46Å; Y270-I303 WeakPolarHBondContact O-CA 3.44Å; D272-I303 HydrophobicContact CB-CG2 3.77Å; L278-I303 HydrophobicContact CD1-CG2 3.97Å; L278-I303 HydrophobicContact CD2-CD1 3.78Å; L278-I303 HydrophobicContact CG-CD1 4.37Å; L278-I303 HydrophobicContact CG-CG2 4.35Å; P283-I303 HydrophobicContact CB-CD1 4.21Å; P283-I303 HydrophobicContact CG-CD1 3.43Å; P283-I303 VanDerWaalsContact CG-CD1 3.43Å; V301-I303 HydrophobicContact CG1-CG1 4.33Å; I303-T305 HydrophobicContact CG2-CG2 3.99Å; I303-W403 HydrophobicContact CB-CB 4.08Å; I303-W403 PolarHBondContact N-O 2.89Å; I303-W403 WeakPolarHBondContact O-CB 3.21Å; I303-W403 PolarHBondContact O-N 2.78Å; I303-F413 HydrophobicContact CD1-CD1 3.96Å; I303-F413 HydrophobicContact CD1-CE1 3.94Å; I303-F413 HydrophobicContact CG1-CD1 4.44Å; I303-F413 HydrophobicContact CG1-CE1 4.2Å
304	I	95.9	Very high	90.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.6	-180	-58.4	172.5	0	0	0	108.3	F168 L269 Y270 L271 D272 V400 L402	F168-I304 HydrophobicContact CD1-CG2 4.13Å; F168-I304 HydrophobicContact CE1-CD1 3.91Å; F168-I304 HydrophobicContact CE1-CG1 4.03Å; F168-I304 HydrophobicContact CE1-CG2 3.83Å; L269-I304 HydrophobicContact CB-CD1 4.12Å; L269-I304 HydrophobicContact CD2-CD1 3.95Å; Y270-I304 PolarHBondContact O-N 3.24Å; L271-I304 HydrophobicContact CD1-CD1 4.5Å; L271-I304 HydrophobicContact CG-CD1 4.45Å; D272-I304 CarbonylContact C-O 3.57Å; D272-I304 VanDerWaalsContact C-O 3.27Å; D272-I304 PolarHBondContact N-O 3.29Å; I304-V400 HydrophobicContact CG2-CG1 3.43Å; I304-V400 VanDerWaalsContact CG2-CG1 3.43Å; I304-L402 HydrophobicContact CG1-CD1 4.09Å
305	T	95.7	Very high	91.5	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	160.2	178.6	72.8	0	0	0	0	111.6	D272 L278 I303 V400 D401 W403	D272-T305 VanDerWaalsContact O-CG2 3.23Å; D272-T305 WeakPolarHBondContact O-CG2 3.03Å; L278-T305 HydrophobicContact CD1-CG2 3.57Å; I303-T305 HydrophobicContact CG2-CG2 3.99Å; T305-V400 VanDerWaalsContact O-CG1 3.3Å; T305-V400 WeakPolarHBondContact O-CG1 3.43Å; T305-D401 PolarHBondContact N-O 3.2Å; T305-D401 VanDerWaalsContact N-O 3.07Å; T305-D401 PolarHBondContact O-N 2.82Å; T305-W403 PolarHBondContact OG1-NE1 3.27Å
306	Y	94.3	Very high	92	Very high	10 Å²	10	38 Å²	38	4%	0.039	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	149	162.1	-63.2	-45.2	0	0	0	110.5	P160 I165 V273 F274 I398	P160-Y306 HydrophobicContact CB-CD1 4.22Å; P160-Y306 HydrophobicContact CB-CE1 3.44Å; P160-Y306 VanDerWaalsContact CB-CE1 3.44Å; P160-Y306 HydrophobicContact CB-CE2 3.86Å; P160-Y306 WeakPolarHBondContact CB-OH 3.46Å; P160-Y306 HydrophobicContact CG-CD1 4.17Å; P160-Y306 HydrophobicContact CG-CD2 4.09Å; P160-Y306 HydrophobicContact CG-CE1 3.84Å; P160-Y306 HydrophobicContact CG-CE2 3.72Å; P160-Y306 HydrophobicContact CG-CG 4.32Å; I165-Y306 HydrophobicContact CD1-CE1 3.97Å; I165-Y306 HydrophobicContact CG1-CE1 4.26Å; V273-Y306 HydrophobicContact CB-CD2 4.07Å; V273-Y306 HydrophobicContact CB-CE1 4.34Å; V273-Y306 HydrophobicContact CB-CE2 3.65Å; V273-Y306 HydrophobicContact CG1-CE1 4.49Å; V273-Y306 HydrophobicContact CG2-CE2 3.97Å; V273-Y306 WeakPolarHBondContact O-CD2 2.97Å; V273-Y306 PolarHBondContact O-N 3.27Å; F274-Y306 HydrophobicContact CD1-CD2 4.26Å; F274-Y306 HydrophobicContact CD1-CE2 4.44Å; F274-Y306 HydrophobicContact CE1-CD2 4.11Å; F274-Y306 AromaticContact CE1-CE2 3.98Å; F274-Y306 HydrophobicContact CE1-CE2 3.98Å; F274-Y306 HydrophobicContact CZ-CE2 4.3Å; Y306-I398 HydrophobicContact CD1-CD1 3.95Å; Y306-I398 HydrophobicContact CE1-CD1 3.61Å
307	H	92.8	Very high	92.5	Very high	46 Å²	46	32.8 Å²	32.8	21%	0.213	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-70.1	130.5	174	-177.2	65.4	0	0	0	110.8	P309 D399 D401 Y418	H307-P309 WeakPolarHBondContact O-CD 3.48Å; H307-D399 HydrophobicContact CB-CB 3.7Å; H307-D399 WeakPolarHBondContact CB-O 3.46Å; H307-D399 PolarHBondContact N-O 2.93Å; H307-D401 WeakPolarHBondContact CA-OD2 3.44Å; H307-D401 IonicContact CE1-OD1 3.93Å; H307-D401 IonicContact CG-OD1 2.93Å; H307-D401 IonicContact CG-OD2 3.08Å; H307-D401 IonicContact ND1-OD1 3.02Å; H307-D401 PolarHBondContact ND1-OD1 3.34Å; H307-D401 IonicContact ND1-OD2 2.85Å; H307-D401 PolarHBondContact ND1-OD2 3.19Å; H307-Y418 HydrophobicContact CB-CD2 4.42Å; H307-Y418 HydrophobicContact CB-CE2 4.14Å; H307-Y418 AromaticContact CD2-CE2 3.68Å; H307-Y418 AromaticContact CE1-CD2 3.79Å; H307-Y418 AromaticContact CE1-CE2 3.76Å; H307-Y418 AromaticContact CG-CD2 3.86Å; H307-Y418 AromaticContact CG-CE2 3.54Å; H307-Y418 AromaticContact ND1-CD2 3.49Å; H307-Y418 WeakPolarHBondContact ND1-CD2 3.3Å; H307-Y418 AromaticContact ND1-CE2 3.61Å; H307-Y418 AromaticContact NE2-CE2 3.81Å
308	N	89.6	Confident	92.9	Very high	59 Å²	59	33.9 Å²	33.9	32%	0.316	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-83.2	116.9	173.9	-172.3	37	0	0	0	109.9	E310 L337	N308-E310 PolarHBondContact O-N 3.46Å; N308-L337 HydrophobicContact CB-CD2 3.66Å
309	P	91.1	Very high	93.1	Very high	7 Å²	7	42 Å²	42	5%	0.045	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-63.1	123.1	177.7	-18.9	31.3	0	0	0	111.6	H307 N311 Y314 Y340	H307-P309 WeakPolarHBondContact O-CD 3.48Å; P309-N311 WeakPolarHBondContact CB-OD1 3.47Å; P309-Y314 HydrophobicContact CB-CD1 3.85Å; P309-Y314 HydrophobicContact CB-CD2 4.26Å; P309-Y314 HydrophobicContact CB-CE1 4.33Å; P309-Y314 HydrophobicContact CB-CG 3.79Å; P309-Y314 HydrophobicContact CG-CD1 4.2Å; P309-Y314 HydrophobicContact CG-CD2 4.23Å; P309-Y314 HydrophobicContact CG-CE1 4.21Å; P309-Y314 HydrophobicContact CG-CE2 4.27Å; P309-Y314 HydrophobicContact CG-CG 4.2Å; P309-Y314 WeakPolarHBondContact O-CD1 3.26Å; P309-Y340 HydrophobicContact CG-CD2 3.7Å; P309-Y340 HydrophobicContact CG-CE2 3.85Å
310	E	87.6	Confident	93.4	Very high	159 Å²	159	44 Å²	44	74%	0.743	21%	0.21	S	C	*	.			trans	-95.6	3.3	-179.8	-60	-170.1	158.3	0	0	113.4	N308	N308-E310 PolarHBondContact O-N 3.46Å
311	N	92.4	Very high	93.6	Very high	35 Å²	35	43.9 Å²	43.9	19%	0.187	21%	0.21	C	C	.	.			trans	-68.5	143.8	-178	65.8	-76.2	0	0	0	111.4	P309 E313 Y314 L315 I384	P309-N311 WeakPolarHBondContact CB-OD1 3.47Å; N311-E313 PolarHBondContact ND2-OE2 3.48Å; N311-E313 PolarHBondContact O-N 2.86Å; N311-E313 VanDerWaalsContact O-N 3.16Å; N311-Y314 PolarHBondContact ND2-N 2.8Å; N311-Y314 WeakPolarHBondContact O-CB 3.16Å; N311-Y314 PolarHBondContact O-N 2.84Å; N311-Y314 WeakPolarHBondContact OD1-CB 3.16Å; N311-L315 PolarHBondContact O-N 3.45Å; N311-I384 PolarHBondContact ND2-O 2.8Å; N311-I384 VanDerWaalsContact ND2-O 3.08Å
312	P	93.6	Very high	93.7	Very high	92 Å²	92	45.3 Å²	45.3	60%	0.597	22%	0.216	S	C	*	.	H	α-helix	trans	-61.6	-29.9	-172.6	23.6	-33.3	0	0	0	113.1	Y314 L315 D316	P312-Y314 VanDerWaalsContact C-N 3.35Å; P312-L315 PolarHBondContact O-N 2.99Å; P312-D316 PolarHBondContact O-N 3.47Å
313	E	92.3	Very high	93.7	Very high	96 Å²	96	48.1 Å²	48.1	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-66.6	-36.2	176.5	-56.6	77.3	-171.1	0	0	112.2	N311 F317	N311-E313 PolarHBondContact ND2-OE2 3.48Å; N311-E313 PolarHBondContact O-N 2.86Å; N311-E313 VanDerWaalsContact O-N 3.16Å; E313-F317 VanDerWaalsContact O-CB 3.3Å; E313-F317 WeakPolarHBondContact O-CB 3.17Å; E313-F317 PolarHBondContact O-N 2.95Å
314	Y	94.7	Very high	93.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.9	-43.1	177	-176.1	-106	0	0	0	111.3	P309 N311 P312 D316 F317 Q318 Y340 I384 T385	P309-Y314 HydrophobicContact CB-CD1 3.85Å; P309-Y314 HydrophobicContact CB-CD2 4.26Å; P309-Y314 HydrophobicContact CB-CE1 4.33Å; P309-Y314 HydrophobicContact CB-CG 3.79Å; P309-Y314 HydrophobicContact CG-CD1 4.2Å; P309-Y314 HydrophobicContact CG-CD2 4.23Å; P309-Y314 HydrophobicContact CG-CE1 4.21Å; P309-Y314 HydrophobicContact CG-CE2 4.27Å; P309-Y314 HydrophobicContact CG-CG 4.2Å; P309-Y314 WeakPolarHBondContact O-CD1 3.26Å; N311-Y314 PolarHBondContact ND2-N 2.8Å; N311-Y314 WeakPolarHBondContact O-CB 3.16Å; N311-Y314 PolarHBondContact O-N 2.84Å; N311-Y314 WeakPolarHBondContact OD1-CB 3.16Å; P312-Y314 VanDerWaalsContact C-N 3.35Å; Y314-D316 VanDerWaalsContact C-N 3.3Å; Y314-D316 PolarHBondContact O-N 3.27Å; Y314-F317 HydrophobicContact CD2-CD1 4.24Å; Y314-F317 HydrophobicContact CE2-CD1 4.24Å; Y314-F317 WeakPolarHBondContact O-CB 3.33Å; Y314-F317 PolarHBondContact O-N 3.46Å; Y314-Q318 WeakPolarHBondContact O-CB 3.43Å; Y314-Q318 PolarHBondContact O-N 3.18Å; Y314-Y340 VanDerWaalsContact OH-CA 3.22Å; Y314-Y340 WeakPolarHBondContact OH-CA 3.23Å; Y314-Y340 PolarHBondContact OH-N 3.29Å; Y314-I384 WeakPolarHBondContact CB-O 3.5Å; Y314-I384 HydrophobicContact CD2-CD1 3.96Å; Y314-I384 HydrophobicContact CE2-CD1 4.33Å; Y314-T385 HydrophobicContact CD2-CG2 4.1Å; Y314-T385 HydrophobicContact CE2-CG2 3.98Å
315	L	93.8	Very high	93.6	Very high	79 Å²	79	49.3 Å²	49.3	41%	0.414	25%	0.245	S	C	.	.	H	α-helix	trans	-62.3	-38.5	175.9	-64.4	174.9	0	0	0	111.8	N311 P312 R319	N311-L315 PolarHBondContact O-N 3.45Å; P312-L315 PolarHBondContact O-N 2.99Å; L315-R319 WeakPolarHBondContact O-CG 3.46Å; L315-R319 PolarHBondContact O-N 3.42Å
316	D	94	Very high	93.5	Very high	57 Å²	57	53.3 Å²	53.3	31%	0.305	26%	0.264	S	S	.	.	H	α-helix	trans	-66.7	-45	172.4	-173.3	69.6	0	0	0	112.3	P312 Y314 Q318 R319 R320	P312-D316 PolarHBondContact O-N 3.47Å; Y314-D316 VanDerWaalsContact C-N 3.3Å; Y314-D316 PolarHBondContact O-N 3.27Å; D316-Q318 VanDerWaalsContact C-N 3.34Å; D316-Q318 PolarHBondContact O-N 3.43Å; D316-R319 PolarHBondContact O-N 3.36Å; D316-R319 IonicContact OD1-CZ 3.8Å; D316-R319 IonicContact OD1-NH2 2.78Å; D316-R319 PolarHBondContact OD1-NH2 3.04Å; D316-R320 WeakPolarHBondContact O-CG 3.39Å; D316-R320 PolarHBondContact O-N 3.21Å; D316-R320 IonicContact OD2-CZ 2.82Å; D316-R320 IonicContact OD2-NE 3.81Å; D316-R320 PolarHBondContact OD2-NE 2.77Å; D316-R320 IonicContact OD2-NH2 2.83Å
317	F	95.1	Very high	93.5	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.2	-46.5	175	166.1	-93.9	0	0	0	111.7	A57 M60 E313 Y314 R319 R320 L321 Y346 I384	A57-F317 HydrophobicContact CB-CE2 4.04Å; A57-F317 HydrophobicContact CB-CZ 3.77Å; M60-F317 HydrophobicContact CE-CD2 3.91Å; M60-F317 HydrophobicContact CE-CE2 3.53Å; M60-F317 HydrophobicContact CE-CZ 4.27Å; E313-F317 VanDerWaalsContact O-CB 3.3Å; E313-F317 WeakPolarHBondContact O-CB 3.17Å; E313-F317 PolarHBondContact O-N 2.95Å; Y314-F317 HydrophobicContact CD2-CD1 4.24Å; Y314-F317 HydrophobicContact CE2-CD1 4.24Å; Y314-F317 WeakPolarHBondContact O-CB 3.33Å; Y314-F317 PolarHBondContact O-N 3.46Å; F317-R319 PolarHBondContact O-N 2.95Å; F317-R320 PolarHBondContact O-N 3.3Å; F317-L321 HydrophobicContact CE1-CB 4.49Å; F317-L321 HydrophobicContact CE1-CD2 4.01Å; F317-L321 HydrophobicContact CZ-CD1 4.13Å; F317-L321 HydrophobicContact CZ-CD2 4.24Å; F317-L321 VanDerWaalsContact O-CB 3.25Å; F317-L321 WeakPolarHBondContact O-CB 3.34Å; F317-L321 PolarHBondContact O-N 3.44Å; F317-Y346 HydrophobicContact CD2-CD2 4.23Å; F317-Y346 AromaticContact CE2-CD2 3.81Å; F317-Y346 HydrophobicContact CE2-CD2 3.81Å; F317-Y346 HydrophobicContact CE2-CG 4.22Å; F317-I384 HydrophobicContact CD1-CD1 3.82Å; F317-I384 HydrophobicContact CD2-CD1 4.26Å; F317-I384 HydrophobicContact CD2-CG1 4.28Å; F317-I384 HydrophobicContact CE1-CD1 3.95Å; F317-I384 HydrophobicContact CE2-CD1 4.35Å; F317-I384 HydrophobicContact CG-CD1 3.99Å; F317-I384 HydrophobicContact CG-CG1 4.34Å; F317-I384 HydrophobicContact CZ-CD1 4.21Å
318	Q	94.8	Very high	93.4	Very high	23 Å²	23	61.9 Å²	61.9	11%	0.107	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-44.4	-179.5	-170.2	178.2	34.8	0	0	111.6	Y314 D316 R320 L321 H322 D339	Y314-Q318 WeakPolarHBondContact O-CB 3.43Å; Y314-Q318 PolarHBondContact O-N 3.18Å; D316-Q318 VanDerWaalsContact C-N 3.34Å; D316-Q318 PolarHBondContact O-N 3.43Å; Q318-R320 PolarHBondContact O-N 2.79Å; Q318-L321 WeakPolarHBondContact O-CB 3.48Å; Q318-L321 PolarHBondContact O-N 2.8Å; Q318-H322 PolarHBondContact O-CD2 3.03Å; Q318-H322 VanDerWaalsContact O-CG 3.31Å; Q318-H322 PolarHBondContact O-N 3.02Å; Q318-D339 HydrophobicContact CG-CB 4.38Å; Q318-D339 PolarHBondContact NE2-OD2 2.89Å
319	R	94.5	Very high	93.4	Very high	170 Å²	170	62.4 Å²	62.4	64%	0.642	30%	0.299	S	S	*	.	H	α-helix	trans	-61	-44.6	175.2	-69.5	-175.7	-58.4	155.8	6.2	112.2	L315 D316 F317 A323	L315-R319 WeakPolarHBondContact O-CG 3.46Å; L315-R319 PolarHBondContact O-N 3.42Å; D316-R319 PolarHBondContact O-N 3.36Å; D316-R319 IonicContact OD1-CZ 3.8Å; D316-R319 IonicContact OD1-NH2 2.78Å; D316-R319 PolarHBondContact OD1-NH2 3.04Å; F317-R319 PolarHBondContact O-N 2.95Å; R319-A323 WeakPolarHBondContact O-CB 3.24Å; R319-A323 PolarHBondContact O-N 3.34Å; R319-A323 VanDerWaalsContact O-N 3.13Å
320	R	94.9	Very high	93.5	Very high	78 Å²	78	64.6 Å²	64.6	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-38.1	177.2	-70.8	-169	-68.7	125.7	0.6	112	M60 D64 D316 F317 Q318 A323 R324	M60-R320 HydrophobicContact SD-CB 3.84Å; D64-R320 IonicContact OD2-NH1 3.78Å; D316-R320 WeakPolarHBondContact O-CG 3.39Å; D316-R320 PolarHBondContact O-N 3.21Å; D316-R320 IonicContact OD2-CZ 2.82Å; D316-R320 IonicContact OD2-NE 3.81Å; D316-R320 PolarHBondContact OD2-NE 2.77Å; D316-R320 IonicContact OD2-NH2 2.83Å; F317-R320 PolarHBondContact O-N 3.3Å; Q318-R320 PolarHBondContact O-N 2.79Å; R320-A323 PolarHBondContact O-N 3.48Å; R320-R324 VanDerWaalsContact O-CB 3.24Å; R320-R324 WeakPolarHBondContact O-CB 3.13Å; R320-R324 PolarHBondContact O-N 3.38Å
321	L	95.4	Very high	93.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-52.1	177.2	-176.6	70.7	0	0	0	110.7	R53 P56 A57 M60 F317 Q318 R324 A325 D339 A342	R53-L321 HydrophobicContact CG-CD2 4.5Å; R53-L321 WeakPolarHBondContact O-CD1 3.4Å; P56-L321 HydrophobicContact CB-CD1 4.05Å; A57-L321 HydrophobicContact CB-CD1 3.9Å; M60-L321 HydrophobicContact CE-CB 3.98Å; M60-L321 HydrophobicContact CE-CD1 3.63Å; M60-L321 HydrophobicContact CE-CG 4.47Å; F317-L321 HydrophobicContact CE1-CB 4.49Å; F317-L321 HydrophobicContact CE1-CD2 4.01Å; F317-L321 HydrophobicContact CZ-CD1 4.13Å; F317-L321 HydrophobicContact CZ-CD2 4.24Å; F317-L321 VanDerWaalsContact O-CB 3.25Å; F317-L321 WeakPolarHBondContact O-CB 3.34Å; F317-L321 PolarHBondContact O-N 3.44Å; Q318-L321 WeakPolarHBondContact O-CB 3.48Å; Q318-L321 PolarHBondContact O-N 2.8Å; L321-R324 PolarHBondContact O-N 2.9Å; L321-A325 WeakPolarHBondContact O-CB 3.27Å; L321-A325 PolarHBondContact O-N 3.1Å; L321-D339 HydrophobicContact CD2-CB 4.22Å; L321-A342 HydrophobicContact CD1-CB 4.41Å; L321-A342 HydrophobicContact CD2-CB 3.87Å
322	H	95.4	Very high	93.6	Very high	30 Å²	30	62.8 Å²	62.8	14%	0.139	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-43.3	180	-62.2	170.8	0	0	0	112	Q318 R324 A325 Q326 D339	Q318-H322 PolarHBondContact O-CD2 3.03Å; Q318-H322 VanDerWaalsContact O-CG 3.31Å; Q318-H322 PolarHBondContact O-N 3.02Å; H322-R324 VanDerWaalsContact C-N 3.28Å; H322-R324 PolarHBondContact O-N 3.29Å; H322-A325 PolarHBondContact O-N 3.43Å; H322-Q326 PolarHBondContact O-N 2.93Å; H322-D339 IonicContact CD2-OD2 3.31Å; H322-D339 IonicContact CE1-OD2 2.71Å; H322-D339 PolarHBondContact CE1-OD2 2.87Å; H322-D339 IonicContact NE2-OD1 3.02Å; H322-D339 PolarHBondContact NE2-OD1 3.22Å; H322-D339 IonicContact NE2-OD2 3.93Å; H322-D339 PolarHBondContact NE2-OD2 3.49Å
323	A	95.1	Very high	93.4	Very high	65 Å²	65	58.8 Å²	58.8	54%	0.537	29%	0.287	S	S	.	.	H	α-helix	trans	-60.5	-39.4	175.9	0	0	0	0	0	111.9	R319 R320 R327	R319-A323 WeakPolarHBondContact O-CB 3.24Å; R319-A323 PolarHBondContact O-N 3.34Å; R319-A323 VanDerWaalsContact O-N 3.13Å; R320-A323 PolarHBondContact O-N 3.48Å; A323-R327 WeakPolarHBondContact O-CB 3.32Å; A323-R327 PolarHBondContact O-N 3.16Å
324	R	94.6	Very high	93.1	Very high	27 Å²	27	61.4 Å²	61.4	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-75.2	-39.1	-180	-168.6	166.1	-170.2	160.8	6.3	112.7	P56 M60 E63 R320 L321 H322 Q326 R327 D328	P56-R324 HydrophobicContact CB-CB 4.13Å; P56-R324 HydrophobicContact CB-CG 3.88Å; M60-R324 VanDerWaalsContact CG-NH1 3.35Å; E63-R324 IonicContact OE1-CZ 3.98Å; E63-R324 VanDerWaalsContact OE1-CZ 3.31Å; E63-R324 IonicContact OE1-NH1 3.73Å; E63-R324 PolarHBondContact OE1-NH1 2.99Å; E63-R324 IonicContact OE1-NH2 2.98Å; E63-R324 PolarHBondContact OE1-NH2 2.86Å; E63-R324 IonicContact OE2-CZ 3.73Å; E63-R324 IonicContact OE2-NH1 2.8Å; E63-R324 PolarHBondContact OE2-NH1 2.67Å; E63-R324 IonicContact OE2-NH2 2.9Å; R320-R324 VanDerWaalsContact O-CB 3.24Å; R320-R324 WeakPolarHBondContact O-CB 3.13Å; R320-R324 PolarHBondContact O-N 3.38Å; L321-R324 PolarHBondContact O-N 2.9Å; H322-R324 VanDerWaalsContact C-N 3.28Å; H322-R324 PolarHBondContact O-N 3.29Å; R324-Q326 VanDerWaalsContact C-N 3.3Å; R324-Q326 PolarHBondContact O-N 3.43Å; R324-R327 PolarHBondContact O-N 3.13Å; R324-D328 WeakPolarHBondContact CG-OD2 3.44Å; R324-D328 IonicContact CZ-OD2 3.92Å; R324-D328 IonicContact NE-OD2 2.79Å; R324-D328 PolarHBondContact NE-OD2 3.47Å; R324-D328 WeakPolarHBondContact O-CB 3.24Å; R324-D328 PolarHBondContact O-N 3.49Å
325	A	94	Very high	92.7	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-42.7	172.8	0	0	0	0	0	111.2	L321 H322 F329 G330 V331 L333	L321-A325 WeakPolarHBondContact O-CB 3.27Å; L321-A325 PolarHBondContact O-N 3.1Å; H322-A325 PolarHBondContact O-N 3.43Å; A325-F329 CarbonylContact O-C 3.41Å; A325-F329 WeakPolarHBondContact O-CA 3.43Å; A325-F329 WeakPolarHBondContact O-CB 3.45Å; A325-F329 PolarHBondContact O-N 3.23Å; A325-G330 PolarHBondContact O-N 3.4Å; A325-V331 CarbonylContact C-O 3.47Å; A325-V331 PolarHBondContact O-N 2.81Å; A325-L333 HydrophobicContact CB-CD1 3.5Å; A325-L333 HydrophobicContact CB-CG 4.01Å
326	Q	93.6	Very high	92.5	Very high	87 Å²	87	64.1 Å²	64.1	41%	0.407	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-42.1	175.4	-175	63.4	45.3	0	0	112.2	H322 R324 G330 V331 H332	H322-Q326 PolarHBondContact O-N 2.93Å; R324-Q326 VanDerWaalsContact C-N 3.3Å; R324-Q326 PolarHBondContact O-N 3.43Å; Q326-G330 WeakPolarHBondContact O-CA 3.34Å; Q326-G330 PolarHBondContact O-N 3.4Å; Q326-G330 VanDerWaalsContact O-N 3.09Å; Q326-V331 VanDerWaalsContact CA-O 3.3Å; Q326-V331 WeakPolarHBondContact CA-O 3.44Å; Q326-V331 PolarHBondContact N-O 3.19Å; Q326-V331 VanDerWaalsContact OE1-C 3.29Å; Q326-V331 PolarHBondContact OE1-O 2.82Å; Q326-H332 VanDerWaalsContact OE1-CA 3.31Å
327	R	93.6	Very high	92.4	Very high	170 Å²	170	62.5 Å²	62.5	64%	0.642	31%	0.314	S	S	*	.	H	α-helix	trans	-72.9	-46.7	-177.5	-173.4	-168.6	68	-163.7	-1	113	A323 R324	A323-R327 WeakPolarHBondContact O-CB 3.32Å; A323-R327 PolarHBondContact O-N 3.16Å; R324-R327 PolarHBondContact O-N 3.13Å
328	D	91.4	Very high	92.2	Very high	66 Å²	66	64 Å²	64	35%	0.353	32%	0.321	S	S	.	.	H	α-helix	trans	-88.4	-29.7	-169.9	-62.4	-4.9	0	0	0	111.6	R324	R324-D328 WeakPolarHBondContact CG-OD2 3.44Å; R324-D328 IonicContact CZ-OD2 3.92Å; R324-D328 IonicContact NE-OD2 2.79Å; R324-D328 PolarHBondContact NE-OD2 3.47Å; R324-D328 WeakPolarHBondContact O-CB 3.24Å; R324-D328 PolarHBondContact O-N 3.49Å
329	F	90.3	Very high	92.2	Very high	70 Å²	70	62.9 Å²	62.9	31%	0.307	32%	0.316	S	S	.	.	H	α-helix	trans	-122.2	-7.4	-176	-67.9	-91.3	0	0	0	114.7	P52 L55 P56 A325 V331	P52-F329 HydrophobicContact CB-CB 4.04Å; P52-F329 HydrophobicContact CB-CD1 4.02Å; P52-F329 HydrophobicContact CB-CD2 4.49Å; P52-F329 HydrophobicContact CB-CG 3.94Å; P52-F329 HydrophobicContact CG-CD1 4.13Å; L55-F329 HydrophobicContact CB-CE2 4.31Å; L55-F329 HydrophobicContact CB-CZ 3.99Å; L55-F329 HydrophobicContact CD2-CE2 4.44Å; L55-F329 HydrophobicContact CD2-CZ 3.72Å; L55-F329 HydrophobicContact CG-CZ 4.35Å; P56-F329 HydrophobicContact CG-CD2 3.98Å; P56-F329 HydrophobicContact CG-CE2 3.76Å; A325-F329 CarbonylContact O-C 3.41Å; A325-F329 WeakPolarHBondContact O-CA 3.43Å; A325-F329 WeakPolarHBondContact O-CB 3.45Å; A325-F329 PolarHBondContact O-N 3.23Å; F329-V331 HydrophobicContact CB-CG2 4.15Å; F329-V331 PolarHBondContact O-N 3.45Å
330	G	91.5	Very high	92.2	Very high	53 Å²	53	55.3 Å²	55.3	55%	0.546	29%	0.288	S	S	.	.			trans	70.4	15.8	-176.4	0	0	0	0	0	114.3	A325 Q326	A325-G330 PolarHBondContact O-N 3.4Å; Q326-G330 WeakPolarHBondContact O-CA 3.34Å; Q326-G330 PolarHBondContact O-N 3.4Å; Q326-G330 VanDerWaalsContact O-N 3.09Å
331	V	91.1	Very high	92.2	Very high	16 Å²	16	51.8 Å²	51.8	10%	0.097	28%	0.275	C	S	.	.			trans	-102	127.1	-175.2	174.9	0	0	0	0	110.8	Y44 P52 A325 Q326 F329 L333	Y44-V331 HydrophobicContact CD1-CG1 3.77Å; Y44-V331 HydrophobicContact CD1-CG2 3.94Å; Y44-V331 HydrophobicContact CD2-CG1 3.62Å; Y44-V331 HydrophobicContact CE1-CB 4.43Å; Y44-V331 HydrophobicContact CE1-CG1 3.68Å; Y44-V331 HydrophobicContact CE1-CG2 3.85Å; Y44-V331 HydrophobicContact CE2-CG1 3.53Å; Y44-V331 HydrophobicContact CG-CG1 3.75Å; P52-V331 HydrophobicContact CB-CG2 4.07Å; A325-V331 CarbonylContact C-O 3.47Å; A325-V331 PolarHBondContact O-N 2.81Å; Q326-V331 VanDerWaalsContact CA-O 3.3Å; Q326-V331 WeakPolarHBondContact CA-O 3.44Å; Q326-V331 PolarHBondContact N-O 3.19Å; Q326-V331 VanDerWaalsContact OE1-C 3.29Å; Q326-V331 PolarHBondContact OE1-O 2.82Å; F329-V331 HydrophobicContact CB-CG2 4.15Å; F329-V331 PolarHBondContact O-N 3.45Å; V331-L333 HydrophobicContact CG1-CD2 3.85Å; V331-L333 HydrophobicContact CG1-CG 4.27Å
332	H	91.2	Very high	92.2	Very high	139 Å²	139	51.8 Å²	51.8	64%	0.644	28%	0.275	S	S	*	.			trans	-87.6	119.5	171.9	-164.8	63.1	0	0	0	109.9	Q326	Q326-H332 VanDerWaalsContact OE1-CA 3.31Å
333	L	89.3	Confident	92.3	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.042	27%	0.268	C	S	.	.			trans	-105.3	134.8	177.3	-63.2	177.3	0	0	0	109.5	Y44 R53 A325 V331	Y44-L333 HydrophobicContact CD2-CD2 4.07Å; R53-L333 HydrophobicContact CB-CD1 4.33Å; R53-L333 HydrophobicContact CG-CD1 3.94Å; A325-L333 HydrophobicContact CB-CD1 3.5Å; A325-L333 HydrophobicContact CB-CG 4.01Å; V331-L333 HydrophobicContact CG1-CD2 3.85Å; V331-L333 HydrophobicContact CG1-CG 4.27Å
334	E	86.4	Confident	92.3	Very high	151 Å²	151	47.3 Å²	47.3	71%	0.706	24%	0.242	S	C	*	.			trans	-91.6	146	170.4	-65.9	-175.1	170.2	0	0	110.4	S336	E334-S336 PolarHBondContact O-N 2.77Å; E334-S336 VanDerWaalsContact O-N 3.14Å
335	P	86.9	Confident	92.5	Very high	96 Å²	96	46 Å²	46	62%	0.623	24%	0.238	S	C	*	.			trans	-55.7	118.2	174.3	-23.1	32.6	0	0	0	111.8
336	S	89.5	Confident	92.6	Very high	41 Å²	41	46.1 Å²	46.1	29%	0.287	24%	0.238	S	C	.	.			trans	-151.2	163.2	-179.1	64.6	0	0	0	0	111.6	E334 M338 D339	E334-S336 PolarHBondContact O-N 2.77Å; E334-S336 VanDerWaalsContact O-N 3.14Å; S336-M338 PolarHBondContact O-N 3.38Å; S336-M338 VanDerWaalsContact O-N 3.11Å; S336-M338 WeakPolarHBondContact OG-CB 3.14Å; S336-M338 PolarHBondContact OG-N 3.37Å; S336-D339 PolarHBondContact N-OD2 3.3Å; S336-D339 WeakPolarHBondContact O-CB 3.29Å; S336-D339 PolarHBondContact O-N 2.8Å
337	L	91.3	Very high	92.8	Very high	22 Å²	22	42 Å²	42	12%	0.115	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.6	171.1	-75.2	174.2	0	0	0	112.7	F274 N308 D339 Y340	F274-L337 HydrophobicContact CB-CB 4.41Å; F274-L337 HydrophobicContact CD1-CB 4.2Å; F274-L337 WeakPolarHBondContact O-CB 3.12Å; N308-L337 HydrophobicContact CB-CD2 3.66Å; L337-D339 PolarHBondContact O-N 3.19Å; L337-Y340 WeakPolarHBondContact O-CB 3.11Å; L337-Y340 PolarHBondContact O-N 3.37Å
338	M	92.1	Very high	92.9	Very high	31 Å²	31	34 Å²	34	15%	0.153	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.8	171.1	-60.6	-170.4	-179.1	0	0	112.2	A48 F274 S336 Y340 I341	A48-M338 HydrophobicContact CB-CB 4.02Å; A48-M338 HydrophobicContact CB-CG 4.09Å; A48-M338 HydrophobicContact CB-SD 4.43Å; F274-M338 HydrophobicContact CB-CG 4.44Å; F274-M338 HydrophobicContact CD1-CG 4.05Å; F274-M338 HydrophobicContact CE1-CG 4.47Å; F274-M338 HydrophobicContact CG-CG 4.12Å; S336-M338 PolarHBondContact O-N 3.38Å; S336-M338 VanDerWaalsContact O-N 3.11Å; S336-M338 WeakPolarHBondContact OG-CB 3.14Å; S336-M338 PolarHBondContact OG-N 3.37Å; M338-Y340 PolarHBondContact O-N 2.85Å; M338-I341 WeakPolarHBondContact O-CB 3.35Å; M338-I341 PolarHBondContact O-N 3.44Å; M338-I341 VanDerWaalsContact O-N 3.16Å
339	D	93.4	Very high	93.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-24.2	175.9	-62.4	-32.9	0	0	0	112	R53 Q318 L321 H322 S336 L337 I341 A342 G343	R53-D339 IonicContact NE-OD1 2.7Å; Q318-D339 HydrophobicContact CG-CB 4.38Å; Q318-D339 PolarHBondContact NE2-OD2 2.89Å; L321-D339 HydrophobicContact CD2-CB 4.22Å; H322-D339 IonicContact CD2-OD2 3.31Å; H322-D339 IonicContact CE1-OD2 2.71Å; H322-D339 PolarHBondContact CE1-OD2 2.87Å; H322-D339 IonicContact NE2-OD1 3.02Å; H322-D339 PolarHBondContact NE2-OD1 3.22Å; H322-D339 IonicContact NE2-OD2 3.93Å; H322-D339 PolarHBondContact NE2-OD2 3.49Å; S336-D339 PolarHBondContact N-OD2 3.3Å; S336-D339 WeakPolarHBondContact O-CB 3.29Å; S336-D339 PolarHBondContact O-N 2.8Å; L337-D339 PolarHBondContact O-N 3.19Å; D339-I341 PolarHBondContact O-N 2.8Å; D339-A342 WeakPolarHBondContact O-CB 3.25Å; D339-A342 PolarHBondContact O-N 3.5Å; D339-A342 VanDerWaalsContact O-N 3.11Å; D339-G343 PolarHBondContact O-N 2.64Å
340	Y	94.4	Very high	93.4	Very high	12 Å²	12	27.8 Å²	27.8	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-33.4	174.9	178	-102.5	0	0	0	111.6	P160 P309 Y314 L337 M338 G343 S344 T385 R396	P160-Y340 HydrophobicContact CG-CD1 4.08Å; P160-Y340 HydrophobicContact CG-CE1 3.67Å; P309-Y340 HydrophobicContact CG-CD2 3.7Å; P309-Y340 HydrophobicContact CG-CE2 3.85Å; Y314-Y340 VanDerWaalsContact OH-CA 3.22Å; Y314-Y340 WeakPolarHBondContact OH-CA 3.23Å; Y314-Y340 PolarHBondContact OH-N 3.29Å; L337-Y340 WeakPolarHBondContact O-CB 3.11Å; L337-Y340 PolarHBondContact O-N 3.37Å; M338-Y340 PolarHBondContact O-N 2.85Å; Y340-G343 PolarHBondContact O-N 2.88Å; Y340-S344 WeakPolarHBondContact O-CB 3.45Å; Y340-S344 PolarHBondContact O-N 2.88Å; Y340-S344 PolarHBondContact O-OG 3.32Å; Y340-T385 HydrophobicContact CD2-CG2 3.99Å; Y340-T385 HydrophobicContact CE2-CG2 3.98Å; Y340-R396 PolarHBondContact OH-NH2 3.19Å
341	I	95.9	Very high	93.7	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-68.2	-42.1	176.3	-56.4	-56.6	0	0	0	110.7	A48 W49 A139 P160 F274 M338 D339 G343 S344 F345	A48-I341 HydrophobicContact CB-CB 4.18Å; A48-I341 HydrophobicContact CB-CG1 3.77Å; A48-I341 HydrophobicContact CB-CG2 4.46Å; W49-I341 HydrophobicContact CB-CG2 4.11Å; A139-I341 HydrophobicContact CB-CG2 4.21Å; P160-I341 HydrophobicContact CG-CD1 3.87Å; F274-I341 HydrophobicContact CE1-CD1 4.1Å; F274-I341 HydrophobicContact CE1-CG1 3.78Å; F274-I341 HydrophobicContact CZ-CD1 4.37Å; F274-I341 HydrophobicContact CZ-CG1 4.11Å; M338-I341 WeakPolarHBondContact O-CB 3.35Å; M338-I341 PolarHBondContact O-N 3.44Å; M338-I341 VanDerWaalsContact O-N 3.16Å; D339-I341 PolarHBondContact O-N 2.8Å; I341-G343 VanDerWaalsContact C-N 3.32Å; I341-S344 WeakPolarHBondContact O-CB 3.41Å; I341-S344 PolarHBondContact O-N 2.86Å; I341-F345 HydrophobicContact CG2-CD2 4.21Å; I341-F345 HydrophobicContact CG2-CE2 4.13Å; I341-F345 WeakPolarHBondContact O-CD2 3.32Å; I341-F345 PolarHBondContact O-N 3.26Å
342	A	95.7	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.9	-39.7	175.1	0	0	0	0	0	111.4	R53 A57 L321 D339 S344 F345 Y346	R53-A342 HydrophobicContact CG-CB 4.03Å; A57-A342 HydrophobicContact CB-CB 4.08Å; A57-A342 WeakPolarHBondContact CB-O 3.3Å; L321-A342 HydrophobicContact CD1-CB 4.41Å; L321-A342 HydrophobicContact CD2-CB 3.87Å; D339-A342 WeakPolarHBondContact O-CB 3.25Å; D339-A342 PolarHBondContact O-N 3.5Å; D339-A342 VanDerWaalsContact O-N 3.11Å; A342-S344 VanDerWaalsContact C-N 3.32Å; A342-S344 PolarHBondContact O-N 2.86Å; A342-F345 PolarHBondContact O-N 2.82Å; A342-Y346 PolarHBondContact O-N 2.92Å
343	G	96.1	Very high	94.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.2	-39.6	171.2	0	0	0	0	0	113.2	D339 Y340 I341 F345 Y346 D347	D339-G343 PolarHBondContact O-N 2.64Å; Y340-G343 PolarHBondContact O-N 2.88Å; I341-G343 VanDerWaalsContact C-N 3.32Å; G343-F345 VanDerWaalsContact C-N 3.29Å; G343-F345 PolarHBondContact O-N 3.44Å; G343-Y346 WeakPolarHBondContact O-CB 3.43Å; G343-Y346 PolarHBondContact O-N 3.34Å; G343-Y346 VanDerWaalsContact O-N 3.15Å; G343-D347 PolarHBondContact O-N 3.1Å
344	S	96.8	Very high	94.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.9	-28.6	175.8	-65.8	0	0	0	0	113.2	S158 Y340 I341 A342 G348 R396	S158-S344 WeakPolarHBondContact CB-O 3.4Å; S158-S344 WeakPolarHBondContact O-CB 3.45Å; S158-S344 PolarHBondContact OG-O 3.31Å; Y340-S344 WeakPolarHBondContact O-CB 3.45Å; Y340-S344 PolarHBondContact O-N 2.88Å; Y340-S344 PolarHBondContact O-OG 3.32Å; I341-S344 WeakPolarHBondContact O-CB 3.41Å; I341-S344 PolarHBondContact O-N 2.86Å; A342-S344 VanDerWaalsContact C-N 3.32Å; A342-S344 PolarHBondContact O-N 2.86Å; S344-G348 PolarHBondContact O-N 3.46Å; S344-R396 PolarHBondContact OG-NH1 3.31Å
345	F	97.6	Very high	94.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-72.4	-38.5	169.5	-88.2	-73.2	0	0	0	112.4	L40 W49 V54 I58 F114 A139 I341 A342 G343 G348 F349	L40-F345 HydrophobicContact CD1-CZ 4.43Å; L40-F345 HydrophobicContact CD2-CZ 4.06Å; W49-F345 HydrophobicContact CB-CE2 3.88Å; V54-F345 HydrophobicContact CB-CD2 4.24Å; V54-F345 HydrophobicContact CG1-CB 3.69Å; V54-F345 HydrophobicContact CG1-CD1 3.98Å; V54-F345 HydrophobicContact CG1-CD2 3.42Å; V54-F345 VanDerWaalsContact CG1-CD2 3.42Å; V54-F345 HydrophobicContact CG1-CE1 4.46Å; V54-F345 HydrophobicContact CG1-CE2 3.99Å; V54-F345 HydrophobicContact CG1-CG 3.43Å; V54-F345 VanDerWaalsContact CG1-CG 3.43Å; V54-F345 HydrophobicContact CG1-CZ 4.47Å; V54-F345 HydrophobicContact CG2-CD2 3.69Å; V54-F345 HydrophobicContact CG2-CE2 3.97Å; I58-F345 HydrophobicContact CD1-CD1 4.5Å; I58-F345 HydrophobicContact CG1-CB 4.37Å; F114-F345 HydrophobicContact CD1-CD1 4.09Å; A139-F345 HydrophobicContact CB-CD1 4.38Å; A139-F345 HydrophobicContact CB-CD2 3.56Å; A139-F345 HydrophobicContact CB-CE1 4.49Å; A139-F345 HydrophobicContact CB-CE2 3.66Å; A139-F345 HydrophobicContact CB-CG 3.95Å; A139-F345 HydrophobicContact CB-CZ 4.14Å; A139-F345 VanDerWaalsContact N-CZ 3.31Å; I341-F345 HydrophobicContact CG2-CD2 4.21Å; I341-F345 HydrophobicContact CG2-CE2 4.13Å; I341-F345 WeakPolarHBondContact O-CD2 3.32Å; I341-F345 PolarHBondContact O-N 3.26Å; A342-F345 PolarHBondContact O-N 2.82Å; G343-F345 VanDerWaalsContact C-N 3.29Å; G343-F345 PolarHBondContact O-N 3.44Å; F345-G348 PolarHBondContact O-N 3.4Å; F345-F349 PolarHBondContact O-N 3.27Å
346	Y	97	Very high	95.2	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.008	4%	0.04	C	C	.	.	H	α-helix	trans	-57.9	-50.2	171.3	179.6	-70.5	0	0	0	110.3	A57 M60 A61 D64 F317 A342 G343 G348 F349 L350 I384	A57-Y346 WeakPolarHBondContact O-CD2 3.46Å; M60-Y346 HydrophobicContact CB-CD2 4.3Å; M60-Y346 HydrophobicContact CB-CE2 4.12Å; A61-Y346 HydrophobicContact CB-CD1 4.29Å; A61-Y346 HydrophobicContact CB-CD2 3.51Å; A61-Y346 HydrophobicContact CB-CE1 4.44Å; A61-Y346 HydrophobicContact CB-CE2 3.73Å; A61-Y346 HydrophobicContact CB-CG 3.81Å; A61-Y346 VanDerWaalsContact N-CE2 3.34Å; D64-Y346 VanDerWaalsContact CB-OH 3.24Å; D64-Y346 WeakPolarHBondContact CB-OH 3.24Å; D64-Y346 PolarHBondContact OD2-OH 3.34Å; F317-Y346 HydrophobicContact CD2-CD2 4.23Å; F317-Y346 AromaticContact CE2-CD2 3.81Å; F317-Y346 HydrophobicContact CE2-CD2 3.81Å; F317-Y346 HydrophobicContact CE2-CG 4.22Å; A342-Y346 PolarHBondContact O-N 2.92Å; G343-Y346 WeakPolarHBondContact O-CB 3.43Å; G343-Y346 PolarHBondContact O-N 3.34Å; G343-Y346 VanDerWaalsContact O-N 3.15Å; Y346-G348 VanDerWaalsContact C-N 3.33Å; Y346-G348 PolarHBondContact O-N 3.4Å; Y346-F349 WeakPolarHBondContact O-CB 3.47Å; Y346-F349 PolarHBondContact O-N 2.97Å; Y346-F349 VanDerWaalsContact O-N 3.12Å; Y346-L350 PolarHBondContact O-N 3.21Å; Y346-I384 HydrophobicContact CD1-CB 4.24Å; Y346-I384 HydrophobicContact CD1-CG1 3.46Å; Y346-I384 VanDerWaalsContact CD1-CG1 3.46Å; Y346-I384 HydrophobicContact CD1-CG2 3.78Å; Y346-I384 HydrophobicContact CE1-CB 4.32Å; Y346-I384 HydrophobicContact CE1-CG1 4.02Å; Y346-I384 HydrophobicContact CE1-CG2 3.38Å; Y346-I384 HydrophobicContact CE2-CG2 4.38Å; Y346-I384 HydrophobicContact CG-CG1 3.79Å; Y346-I384 HydrophobicContact CG-CG2 4.48Å
347	D	96.8	Very high	95.3	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.011	4%	0.042	C	C	.	.	H	α-helix	trans	-67.5	-34.5	-179.8	-70.5	-25.3	0	0	0	112.1	G343 F349 L350 L351 F381 G383 I384 T385 V388 R396	G343-D347 PolarHBondContact O-N 3.1Å; D347-F349 VanDerWaalsContact C-N 3.3Å; D347-F349 PolarHBondContact O-N 2.75Å; D347-L350 PolarHBondContact O-N 3.38Å; D347-L351 WeakPolarHBondContact O-CB 3.31Å; D347-L351 PolarHBondContact O-N 2.86Å; D347-F381 HydrophobicContact CB-CE2 4.42Å; D347-F381 HydrophobicContact CB-CZ 4.29Å; D347-F381 WeakPolarHBondContact O-CZ 3.4Å; D347-G383 WeakPolarHBondContact OD1-CA 3.31Å; D347-I384 PolarHBondContact OD1-N 3.47Å; D347-T385 WeakPolarHBondContact OD2-CB 3.07Å; D347-T385 WeakPolarHBondContact OD2-CG2 3.49Å; D347-T385 PolarHBondContact OD2-N 3.36Å; D347-T385 VanDerWaalsContact OD2-N 3.09Å; D347-T385 PolarHBondContact OD2-OG1 3.4Å; D347-V388 HydrophobicContact CB-CG2 4.12Å; D347-R396 IonicContact OD2-NH1 3.8Å
348	G	96.8	Very high	95.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.2	-36.3	171	0	0	0	0	0	113	S344 F345 Y346 L351 Y352	S344-G348 PolarHBondContact O-N 3.46Å; F345-G348 PolarHBondContact O-N 3.4Å; Y346-G348 VanDerWaalsContact C-N 3.33Å; Y346-G348 PolarHBondContact O-N 3.4Å; G348-L351 PolarHBondContact O-N 2.84Å; G348-Y352 PolarHBondContact O-N 3.05Å
349	F	96.8	Very high	95.5	Very high	2 Å²	2	9 Å²	9	1%	0.009	4%	0.044	C	C	.	.	H	α-helix	trans	-68.4	-41.1	174.6	-167.7	-88.7	0	0	0	112.1	V36 I58 A61 K62 L65 I77 F114 F345 Y346 D347 Y352 A353	V36-F349 HydrophobicContact CG1-CE2 4.39Å; V36-F349 HydrophobicContact CG2-CE2 4.18Å; I58-F349 HydrophobicContact CG2-CD2 3.77Å; I58-F349 HydrophobicContact CG2-CE2 3.96Å; I58-F349 HydrophobicContact CG2-CG 4.47Å; A61-F349 HydrophobicContact CB-CB 3.96Å; A61-F349 HydrophobicContact CB-CD1 3.65Å; A61-F349 HydrophobicContact CB-CE1 4.43Å; A61-F349 HydrophobicContact CB-CG 4.02Å; K62-F349 HydrophobicContact CB-CE1 4.21Å; K62-F349 HydrophobicContact CB-CZ 4.2Å; L65-F349 HydrophobicContact CD1-CD1 4.07Å; L65-F349 HydrophobicContact CD1-CE1 3.5Å; L65-F349 VanDerWaalsContact CD1-CE1 3.5Å; L65-F349 HydrophobicContact CD1-CZ 4.49Å; I77-F349 HydrophobicContact CD1-CE1 4.44Å; I77-F349 HydrophobicContact CD1-CZ 4.17Å; I77-F349 HydrophobicContact CG2-CZ 4.18Å; F114-F349 HydrophobicContact CE1-CB 3.9Å; F114-F349 AromaticContact CE1-CD2 3.99Å; F114-F349 HydrophobicContact CE1-CD2 3.99Å; F114-F349 HydrophobicContact CE1-CG 4.45Å; F114-F349 HydrophobicContact CE2-CD2 4.04Å; F114-F349 HydrophobicContact CZ-CB 4.02Å; F114-F349 AromaticContact CZ-CD2 3.66Å; F114-F349 HydrophobicContact CZ-CD2 3.66Å; F114-F349 HydrophobicContact CZ-CG 4.23Å; F345-F349 PolarHBondContact O-N 3.27Å; Y346-F349 WeakPolarHBondContact O-CB 3.47Å; Y346-F349 PolarHBondContact O-N 2.97Å; Y346-F349 VanDerWaalsContact O-N 3.12Å; D347-F349 VanDerWaalsContact C-N 3.3Å; D347-F349 PolarHBondContact O-N 2.75Å; F349-Y352 WeakPolarHBondContact O-CB 3.34Å; F349-Y352 PolarHBondContact O-N 3.41Å; F349-A353 PolarHBondContact O-N 3.25Å
350	L	95.9	Very high	95.4	Very high	4 Å²	4	11 Å²	11	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-64	-42.7	174.2	-174.2	60.4	0	0	0	111.6	H69 L71 Y346 D347 Y352 A353 M354 F381	H69-L350 HydrophobicContact CB-CD1 4.17Å; L71-L350 HydrophobicContact CD1-CD1 3.57Å; Y346-L350 PolarHBondContact O-N 3.21Å; D347-L350 PolarHBondContact O-N 3.38Å; L350-Y352 PolarHBondContact O-N 3.1Å; L350-A353 PolarHBondContact O-N 3.41Å; L350-M354 HydrophobicContact CD1-CE 3.92Å; L350-M354 HydrophobicContact CD2-CE 3.91Å; L350-M354 HydrophobicContact CG-CE 3.68Å; L350-M354 HydrophobicContact CG-SD 4.44Å; L350-M354 VanDerWaalsContact O-CG 3.32Å; L350-M354 WeakPolarHBondContact O-CG 3.24Å; L350-M354 PolarHBondContact O-N 2.93Å; L350-F381 HydrophobicContact CB-CE2 4.36Å; L350-F381 HydrophobicContact CD2-CD2 4.1Å; L350-F381 HydrophobicContact CD2-CE2 3.95Å; L350-F381 HydrophobicContact CG-CE2 4.24Å
351	L	96.6	Very high	95.2	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-58.9	-44.5	175.6	175.9	61.4	0	0	0	112	V156 D347 G348 A355 T376 R379 F381 I390	V156-L351 HydrophobicContact CG1-CD2 3.86Å; D347-L351 WeakPolarHBondContact O-CB 3.31Å; D347-L351 PolarHBondContact O-N 2.86Å; G348-L351 PolarHBondContact O-N 2.84Å; L351-A355 WeakPolarHBondContact O-CB 3.39Å; L351-A355 PolarHBondContact O-N 3.38Å; L351-T376 HydrophobicContact CD1-CG2 4.13Å; L351-T376 HydrophobicContact CD2-CG2 4.35Å; L351-T376 HydrophobicContact CG-CG2 3.95Å; L351-R379 HydrophobicContact CD1-CB 4.46Å; L351-F381 HydrophobicContact CB-CE1 3.93Å; L351-F381 HydrophobicContact CB-CZ 3.87Å; L351-F381 HydrophobicContact CD1-CD1 4.32Å; L351-F381 HydrophobicContact CD1-CE1 3.84Å; L351-F381 HydrophobicContact CG-CE1 4.31Å; L351-I390 HydrophobicContact CD1-CG1 4.44Å; L351-I390 HydrophobicContact CD2-CD1 3.86Å; L351-I390 HydrophobicContact CD2-CG1 3.7Å
352	Y	96.4	Very high	94.9	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-58.1	-50.7	174.2	178.1	-115.7	0	0	0	111.9	I34 V112 P135 I137 G348 F349 L350 M354 A355 L356 I372	I34-Y352 HydrophobicContact CG2-CE1 4.32Å; V112-Y352 HydrophobicContact CB-CD2 4.37Å; V112-Y352 HydrophobicContact CB-CE1 4.24Å; V112-Y352 HydrophobicContact CB-CE2 3.73Å; V112-Y352 HydrophobicContact CG1-CD1 4.22Å; V112-Y352 HydrophobicContact CG1-CE1 3.61Å; V112-Y352 HydrophobicContact CG1-CE2 4.05Å; V112-Y352 HydrophobicContact CG2-CD2 4.03Å; V112-Y352 HydrophobicContact CG2-CE2 3.87Å; V112-Y352 HydrophobicContact CG2-CG 4.49Å; P135-Y352 HydrophobicContact CB-CE2 4.48Å; P135-Y352 HydrophobicContact CG-CE2 4.24Å; I137-Y352 HydrophobicContact CD1-CD2 3.81Å; I137-Y352 HydrophobicContact CD1-CG 3.86Å; G348-Y352 PolarHBondContact O-N 3.05Å; F349-Y352 WeakPolarHBondContact O-CB 3.34Å; F349-Y352 PolarHBondContact O-N 3.41Å; L350-Y352 PolarHBondContact O-N 3.1Å; Y352-M354 VanDerWaalsContact C-N 3.31Å; Y352-M354 PolarHBondContact O-N 2.79Å; Y352-A355 PolarHBondContact O-N 2.86Å; Y352-L356 HydrophobicContact CE1-CD2 4.03Å; Y352-L356 WeakPolarHBondContact O-CB 3.25Å; Y352-L356 PolarHBondContact O-N 3.27Å; Y352-I372 HydrophobicContact CD2-CG2 4.04Å; Y352-I372 HydrophobicContact CE2-CG2 3.96Å
353	A	95.1	Very high	94.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.8	-42.6	-176.7	0	0	0	0	0	111.6	L65 L71 L72 F349 L350 L356 E357	L65-A353 HydrophobicContact CD1-CB 3.53Å; L65-A353 HydrophobicContact CG-CB 4.3Å; L71-A353 HydrophobicContact CD1-CB 4.29Å; L72-A353 HydrophobicContact CD1-CB 3.86Å; L72-A353 HydrophobicContact CG-CB 4.47Å; F349-A353 PolarHBondContact O-N 3.25Å; L350-A353 PolarHBondContact O-N 3.41Å; A353-L356 PolarHBondContact O-N 3.31Å; A353-E357 WeakPolarHBondContact O-CB 3.43Å; A353-E357 PolarHBondContact O-N 2.62Å
354	M	94.6	Very high	94	Very high	32 Å²	32	25.5 Å²	25.5	16%	0.158	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-46	174.5	-71.7	179.2	179.9	0	0	112.2	L71 L350 Y352 L356 E357 D358 F381	L71-M354 HydrophobicContact CD1-CE 4.27Å; L71-M354 HydrophobicContact CD1-CG 3.59Å; L71-M354 HydrophobicContact CD2-CG 4.32Å; L350-M354 HydrophobicContact CD1-CE 3.92Å; L350-M354 HydrophobicContact CD2-CE 3.91Å; L350-M354 HydrophobicContact CG-CE 3.68Å; L350-M354 HydrophobicContact CG-SD 4.44Å; L350-M354 VanDerWaalsContact O-CG 3.32Å; L350-M354 WeakPolarHBondContact O-CG 3.24Å; L350-M354 PolarHBondContact O-N 2.93Å; Y352-M354 VanDerWaalsContact C-N 3.31Å; Y352-M354 PolarHBondContact O-N 2.79Å; M354-L356 VanDerWaalsContact C-N 3.33Å; M354-L356 PolarHBondContact O-N 3.49Å; M354-E357 PolarHBondContact O-N 2.65Å; M354-D358 PolarHBondContact O-N 3.35Å; M354-D358 VanDerWaalsContact O-N 3.11Å; M354-F381 HydrophobicContact CE-CB 4.36Å; M354-F381 HydrophobicContact CE-CD2 4.12Å; M354-F381 HydrophobicContact CE-CG 4.45Å; M354-F381 HydrophobicContact SD-CB 4.13Å; M354-F381 HydrophobicContact SD-CD2 4.21Å; M354-F381 HydrophobicContact SD-CG 4.1Å
355	A	95.5	Very high	93.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.1	-34.2	179	0	0	0	0	0	112.7	L351 Y352 T359 I372 R375 T376	L351-A355 WeakPolarHBondContact O-CB 3.39Å; L351-A355 PolarHBondContact O-N 3.38Å; Y352-A355 PolarHBondContact O-N 2.86Å; A355-T359 WeakPolarHBondContact O-CB 3.32Å; A355-T359 PolarHBondContact O-N 3.49Å; A355-T359 VanDerWaalsContact O-N 3.11Å; A355-T359 PolarHBondContact O-OG1 3.5Å; A355-I372 HydrophobicContact CB-CG2 4.06Å; A355-R375 HydrophobicContact CB-CB 4.03Å; A355-T376 HydrophobicContact CB-CG2 3.71Å
356	L	94.4	Very high	93	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-70	-45.9	175.4	179.3	60.8	0	0	0	111.4	I34 L72 Y352 A353 M354 D358 T359 L360 Q366 I372	I34-L356 HydrophobicContact CD1-CD2 3.53Å; I34-L356 HydrophobicContact CG1-CD2 4.22Å; I34-L356 HydrophobicContact CG2-CD2 4.44Å; L72-L356 HydrophobicContact CD1-CD2 4.12Å; L72-L356 HydrophobicContact CD2-CB 4.32Å; L72-L356 HydrophobicContact CD2-CD2 3.97Å; L72-L356 HydrophobicContact CD2-CG 3.95Å; Y352-L356 HydrophobicContact CE1-CD2 4.03Å; Y352-L356 WeakPolarHBondContact O-CB 3.25Å; Y352-L356 PolarHBondContact O-N 3.27Å; A353-L356 PolarHBondContact O-N 3.31Å; M354-L356 VanDerWaalsContact C-N 3.33Å; M354-L356 PolarHBondContact O-N 3.49Å; L356-D358 VanDerWaalsContact C-N 3.33Å; L356-D358 PolarHBondContact O-N 3.23Å; L356-T359 WeakPolarHBondContact O-CB 3.46Å; L356-T359 PolarHBondContact O-N 2.86Å; L356-T359 VanDerWaalsContact O-N 3.08Å; L356-L360 HydrophobicContact CD1-CD1 4.22Å; L356-L360 HydrophobicContact CD1-CG 4.12Å; L356-L360 HydrophobicContact CG-CD1 4.03Å; L356-L360 HydrophobicContact CG-CG 4.36Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 2.89Å; L356-Q366 HydrophobicContact CD1-CB 3.95Å; L356-I372 HydrophobicContact CD1-CD1 3.82Å; L356-I372 HydrophobicContact CD1-CG1 4.35Å
357	E	92.9	Very high	92.4	Very high	67 Å²	67	35.2 Å²	35.2	31%	0.313	22%	0.215	S	C	.	.	H	α-helix	trans	-54.5	-49.6	175.2	-176	72.3	-155	0	0	110.9	L71 L72 A353 M354 T359 L360 A361	L71-E357 HydrophobicContact CD2-CB 4.48Å; L71-E357 HydrophobicContact CD2-CG 4.4Å; L72-E357 WeakPolarHBondContact CA-OE2 3.49Å; L72-E357 HydrophobicContact CD2-CB 4.26Å; L72-E357 WeakPolarHBondContact CD2-OE2 3.24Å; L72-E357 PolarHBondContact N-OE2 3.31Å; A353-E357 WeakPolarHBondContact O-CB 3.43Å; A353-E357 PolarHBondContact O-N 2.62Å; M354-E357 PolarHBondContact O-N 2.65Å; E357-T359 VanDerWaalsContact C-N 3.27Å; E357-T359 PolarHBondContact O-N 2.93Å; E357-L360 PolarHBondContact O-N 2.91Å; E357-A361 WeakPolarHBondContact O-CB 3.38Å; E357-A361 PolarHBondContact O-N 2.86Å
358	D	93.6	Very high	92.1	Very high	58 Å²	58	37.7 Å²	37.7	31%	0.31	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-37.3	177.9	-64.7	-26.4	0	0	0	111.7	M354 L356 E362 R379	M354-D358 PolarHBondContact O-N 3.35Å; M354-D358 VanDerWaalsContact O-N 3.11Å; L356-D358 VanDerWaalsContact C-N 3.33Å; L356-D358 PolarHBondContact O-N 3.23Å; D358-E362 PolarHBondContact O-N 2.83Å; D358-R379 IonicContact OD2-CZ 3.46Å; D358-R379 IonicContact OD2-NH1 2.81Å; D358-R379 PolarHBondContact OD2-NH1 3.45Å; D358-R379 IonicContact OD2-NH2 3.27Å; D358-R379 PolarHBondContact OD2-NH2 3.13Å
359	T	93.4	Very high	91.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.9	-41.6	177.5	-57.8	0	0	0	0	111.4	A355 L356 E357 E362 G364 I372 R375	A355-T359 WeakPolarHBondContact O-CB 3.32Å; A355-T359 PolarHBondContact O-N 3.49Å; A355-T359 VanDerWaalsContact O-N 3.11Å; A355-T359 PolarHBondContact O-OG1 3.5Å; L356-T359 WeakPolarHBondContact O-CB 3.46Å; L356-T359 PolarHBondContact O-N 2.86Å; L356-T359 VanDerWaalsContact O-N 3.08Å; E357-T359 VanDerWaalsContact C-N 3.27Å; E357-T359 PolarHBondContact O-N 2.93Å; T359-E362 PolarHBondContact O-N 2.86Å; T359-G364 VanDerWaalsContact O-CA 3.25Å; T359-G364 WeakPolarHBondContact O-CA 3.32Å; T359-G364 PolarHBondContact O-N 3.1Å; T359-I372 HydrophobicContact CG2-CG1 4.16Å; T359-R375 WeakPolarHBondContact OG1-CD 3.41Å; T359-R375 PolarHBondContact OG1-NH1 2.96Å
360	L	90.9	Very high	91.6	Very high	44 Å²	44	40.2 Å²	40.2	23%	0.23	24%	0.242	C	C	.	.	H	α-helix	trans	-69.7	-38.6	177.9	-67.4	173.2	0	0	0	111.7	L72 L356 E357 E362 G363	L72-L360 HydrophobicContact CD2-CD1 4.06Å; L356-L360 HydrophobicContact CD1-CD1 4.22Å; L356-L360 HydrophobicContact CD1-CG 4.12Å; L356-L360 HydrophobicContact CG-CD1 4.03Å; L356-L360 HydrophobicContact CG-CG 4.36Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 2.89Å; E357-L360 PolarHBondContact O-N 2.91Å; L360-E362 PolarHBondContact O-N 3.48Å; L360-G363 PolarHBondContact O-N 3.45Å
361	A	89.6	Confident	91.4	Very high	84 Å²	84	42.2 Å²	42.2	69%	0.694	25%	0.252	S	S	*	.	H	α-helix	trans	-60.8	-31.7	177.4	0	0	0	0	0	112.6	E357 G363	E357-A361 WeakPolarHBondContact O-CB 3.38Å; E357-A361 PolarHBondContact O-N 2.86Å; A361-G363 VanDerWaalsContact C-N 3.3Å
362	E	91.1	Very high	91.4	Very high	144 Å²	144	42.2 Å²	42.2	67%	0.673	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	7	175.8	-69.2	-179.7	-165.7	0	0	113.9	D358 T359 L360 R375	D358-E362 PolarHBondContact O-N 2.83Å; T359-E362 PolarHBondContact O-N 2.86Å; L360-E362 PolarHBondContact O-N 3.48Å; E362-R375 IonicContact OE2-CZ 3.2Å; E362-R375 IonicContact OE2-NE 2.85Å; E362-R375 IonicContact OE2-NH2 2.76Å; E362-R375 PolarHBondContact OE2-NH2 3.29Å
363	G	85.8	Confident	91.3	Very high	69 Å²	69	42.2 Å²	42.2	71%	0.711	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	16.1	-179.5	0	0	0	0	0	114.4	L360 A361	L360-G363 PolarHBondContact O-N 3.45Å; A361-G363 VanDerWaalsContact C-N 3.3Å
364	G	86.1	Confident	91.2	Very high	22 Å²	22	47.2 Å²	47.2	23%	0.227	28%	0.277	C	S	.	.			trans	-72.8	176.6	170.1	0	0	0	0	0	113	T359	T359-G364 VanDerWaalsContact O-CA 3.25Å; T359-G364 WeakPolarHBondContact O-CA 3.32Å; T359-G364 PolarHBondContact O-N 3.1Å
365	V	88.2	Confident	91.1	Very high	80 Å²	80	48 Å²	48	49%	0.485	28%	0.279	S	S	.	.			trans	-117.2	149.1	-178.3	-72.2	0	0	0	0	110.9	N367 D368	V365-N367 WeakPolarHBondContact CG2-OD1 3.46Å; V365-N367 PolarHBondContact O-N 2.97Å; V365-N367 VanDerWaalsContact O-N 3.09Å; V365-D368 HydrophobicContact CG2-CB 3.98Å; V365-D368 PolarHBondContact O-N 3.26Å; V365-D368 VanDerWaalsContact O-N 3.1Å
366	Q	86.3	Confident	91	Very high	26 Å²	26	48.1 Å²	48.1	12%	0.121	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.8	-176.5	67.4	-179.4	43.3	0	0	115	S32 D33 D111 L356 I372	S32-Q366 PolarHBondContact OG-OE1 3.42Å; D33-Q366 PolarHBondContact O-NE2 2.99Å; D111-Q366 PolarHBondContact OD1-NE2 3.48Å; D111-Q366 PolarHBondContact OD2-NE2 3.35Å; L356-Q366 HydrophobicContact CD1-CB 3.95Å; Q366-I372 WeakPolarHBondContact O-CD1 3.36Å
367	N	84.3	Confident	90.9	Very high	100 Å²	100	51 Å²	51	54%	0.535	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	4.5	178.9	66.4	1.2	0	0	0	113.9	V365 G369	V365-N367 WeakPolarHBondContact CG2-OD1 3.46Å; V365-N367 PolarHBondContact O-N 2.97Å; V365-N367 VanDerWaalsContact O-N 3.09Å; N367-G369 VanDerWaalsContact C-N 3.31Å; N367-G369 PolarHBondContact O-N 2.88Å; N367-G369 VanDerWaalsContact O-N 3.09Å
368	D	89.1	Confident	90.9	Very high	55 Å²	55	53.5 Å²	53.5	29%	0.294	31%	0.308	S	S	.	.			trans	-85	73.5	175.8	-171.5	-0.6	0	0	0	110.9	V365 I370 N371 I372	V365-D368 HydrophobicContact CG2-CB 3.98Å; V365-D368 PolarHBondContact O-N 3.26Å; V365-D368 VanDerWaalsContact O-N 3.1Å; D368-I370 VanDerWaalsContact C-N 3.26Å; D368-I370 PolarHBondContact O-N 3.06Å; D368-N371 HydrophobicContact CB-CB 4.22Å; D368-N371 PolarHBondContact O-N 2.89Å; D368-N371 WeakPolarHBondContact OD1-CB 3.27Å; D368-N371 PolarHBondContact OD1-N 3.2Å; D368-N371 WeakPolarHBondContact OD2-CB 3.44Å; D368-N371 PolarHBondContact OD2-ND2 2.89Å; D368-I372 WeakPolarHBondContact O-CG1 3.34Å; D368-I372 PolarHBondContact O-N 3.39Å
369	G	90.6	Very high	90.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-27.8	-171.3	0	0	0	0	0	114.6	K133 P135 N367 T373	K133-G369 WeakPolarHBondContact O-CA 3.38Å; K133-G369 PolarHBondContact O-N 2.87Å; P135-G369 VanDerWaalsContact CD-CA 3.41Å; P135-G369 VanDerWaalsContact CG-CA 3.46Å; N367-G369 VanDerWaalsContact C-N 3.31Å; N367-G369 PolarHBondContact O-N 2.88Å; N367-G369 VanDerWaalsContact O-N 3.09Å; G369-T373 WeakPolarHBondContact O-CB 3.41Å; G369-T373 PolarHBondContact O-N 3.45Å; G369-T373 PolarHBondContact O-OG1 3.14Å
370	I	92.4	Very high	91	Very high	55 Å²	55	61.5 Å²	61.5	28%	0.282	33%	0.334	S	S	.	.	H	α-helix	trans	-65.8	-47.4	176.9	-66.5	175	0	0	0	109.9	K133 T154 D368 T373 M374	K133-I370 HydrophobicContact CB-CD1 4.28Å; K133-I370 HydrophobicContact CB-CG1 4.2Å; K133-I370 HydrophobicContact CD-CD1 3.9Å; K133-I370 HydrophobicContact CG-CD1 3.92Å; K133-I370 HydrophobicContact CG-CG1 4.36Å; T154-I370 HydrophobicContact CG2-CG1 4.07Å; D368-I370 VanDerWaalsContact C-N 3.26Å; D368-I370 PolarHBondContact O-N 3.06Å; I370-T373 PolarHBondContact O-N 2.9Å; I370-M374 HydrophobicContact CG2-CE 3.33Å; I370-M374 HydrophobicContact CG2-SD 4.29Å; I370-M374 WeakPolarHBondContact O-CG 3.5Å; I370-M374 PolarHBondContact O-N 3.41Å
371	N	93.1	Very high	91.1	Very high	45 Å²	45	60.1 Å²	60.1	24%	0.241	33%	0.326	C	S	.	.	H	α-helix	trans	-69.4	-37.7	-177.2	-161	15.2	0	0	0	111.4	D368 M374 R375	D368-N371 HydrophobicContact CB-CB 4.22Å; D368-N371 PolarHBondContact O-N 2.89Å; D368-N371 WeakPolarHBondContact OD1-CB 3.27Å; D368-N371 PolarHBondContact OD1-N 3.2Å; D368-N371 WeakPolarHBondContact OD2-CB 3.44Å; D368-N371 PolarHBondContact OD2-ND2 2.89Å; N371-M374 PolarHBondContact O-N 3.3Å; N371-R375 PolarHBondContact ND2-NH1 3.02Å; N371-R375 PolarHBondContact O-N 3.47Å; N371-R375 PolarHBondContact O-NH1 2.99Å; N371-R375 PolarHBondContact OD1-NH1 3.47Å; N371-R375 PolarHBondContact OD1-NH2 2.88Å
372	I	95	Very high	91.3	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-49.7	171.4	-64.4	164.7	0	0	0	110.2	P135 Y352 A355 L356 T359 Q366 D368 M374 R375 T376	P135-I372 HydrophobicContact CG-CB 4.13Å; P135-I372 HydrophobicContact CG-CD1 4.27Å; P135-I372 HydrophobicContact CG-CG2 4.08Å; Y352-I372 HydrophobicContact CD2-CG2 4.04Å; Y352-I372 HydrophobicContact CE2-CG2 3.96Å; A355-I372 HydrophobicContact CB-CG2 4.06Å; L356-I372 HydrophobicContact CD1-CD1 3.82Å; L356-I372 HydrophobicContact CD1-CG1 4.35Å; T359-I372 HydrophobicContact CG2-CG1 4.16Å; Q366-I372 WeakPolarHBondContact O-CD1 3.36Å; D368-I372 WeakPolarHBondContact O-CG1 3.34Å; D368-I372 PolarHBondContact O-N 3.39Å; I372-M374 VanDerWaalsContact C-N 3.34Å; I372-M374 PolarHBondContact O-N 2.77Å; I372-R375 PolarHBondContact O-N 3.06Å; I372-R375 VanDerWaalsContact O-N 3.16Å; I372-T376 PolarHBondContact O-N 2.98Å
373	T	94.5	Very high	91.4	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-40.8	178.3	-64.2	0	0	0	0	111.9	T154 V156 G369 I370 R375 T376 N394	T154-T373 PolarHBondContact O-OG1 2.86Å; V156-T373 HydrophobicContact CG2-CG2 3.85Å; G369-T373 WeakPolarHBondContact O-CB 3.41Å; G369-T373 PolarHBondContact O-N 3.45Å; G369-T373 PolarHBondContact O-OG1 3.14Å; I370-T373 PolarHBondContact O-N 2.9Å; T373-R375 VanDerWaalsContact C-N 3.26Å; T373-R375 PolarHBondContact O-N 2.89Å; T373-T376 WeakPolarHBondContact O-CB 3.43Å; T373-T376 PolarHBondContact O-N 3.22Å; T373-T376 PolarHBondContact O-OG1 2.73Å; T373-N394 VanDerWaalsContact CG2-ND2 3.29Å; T373-N394 WeakPolarHBondContact CG2-ND2 3.47Å
374	M	93.1	Very high	91.8	Very high	106 Å²	106	56 Å²	56	52%	0.522	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-37.9	176.2	-74.7	175.1	-170.4	0	0	112.5	I370 N371 I372 T376 Q377	I370-M374 HydrophobicContact CG2-CE 3.33Å; I370-M374 HydrophobicContact CG2-SD 4.29Å; I370-M374 WeakPolarHBondContact O-CG 3.5Å; I370-M374 PolarHBondContact O-N 3.41Å; N371-M374 PolarHBondContact O-N 3.3Å; I372-M374 VanDerWaalsContact C-N 3.34Å; I372-M374 PolarHBondContact O-N 2.77Å; M374-T376 PolarHBondContact O-N 3.26Å; M374-Q377 WeakPolarHBondContact O-CB 3.48Å; M374-Q377 PolarHBondContact O-N 3.28Å
375	R	93.8	Very high	92.1	Very high	48 Å²	48	55.5 Å²	55.5	18%	0.181	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-5.2	177.5	-71.1	-170.1	-176.3	63.2	16.6	114.5	A355 T359 E362 N371 I372 T373 R379	A355-R375 HydrophobicContact CB-CB 4.03Å; T359-R375 WeakPolarHBondContact OG1-CD 3.41Å; T359-R375 PolarHBondContact OG1-NH1 2.96Å; E362-R375 IonicContact OE2-CZ 3.2Å; E362-R375 IonicContact OE2-NE 2.85Å; E362-R375 IonicContact OE2-NH2 2.76Å; E362-R375 PolarHBondContact OE2-NH2 3.29Å; N371-R375 PolarHBondContact ND2-NH1 3.02Å; N371-R375 PolarHBondContact O-N 3.47Å; N371-R375 PolarHBondContact O-NH1 2.99Å; N371-R375 PolarHBondContact OD1-NH1 3.47Å; N371-R375 PolarHBondContact OD1-NH2 2.88Å; I372-R375 PolarHBondContact O-N 3.06Å; I372-R375 VanDerWaalsContact O-N 3.16Å; T373-R375 VanDerWaalsContact C-N 3.26Å; T373-R375 PolarHBondContact O-N 2.89Å; R375-R379 PolarHBondContact O-NH1 3.32Å
376	T	93.8	Very high	92.3	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-20.3	170.9	69.6	0	0	0	0	113	V156 L351 A355 I372 T373 M374 R379 I390 N394	V156-T376 HydrophobicContact CG2-CG2 4.31Å; V156-T376 WeakPolarHBondContact CG2-OG1 3.37Å; L351-T376 HydrophobicContact CD1-CG2 4.13Å; L351-T376 HydrophobicContact CD2-CG2 4.35Å; L351-T376 HydrophobicContact CG-CG2 3.95Å; A355-T376 HydrophobicContact CB-CG2 3.71Å; I372-T376 PolarHBondContact O-N 2.98Å; T373-T376 WeakPolarHBondContact O-CB 3.43Å; T373-T376 PolarHBondContact O-N 3.22Å; T373-T376 PolarHBondContact O-OG1 2.73Å; M374-T376 PolarHBondContact O-N 3.26Å; T376-R379 WeakPolarHBondContact O-CB 3.41Å; T376-I390 WeakPolarHBondContact O-CB 3.42Å; T376-I390 WeakPolarHBondContact O-CG2 3.43Å; T376-N394 PolarHBondContact OG1-OD1 3.1Å
377	Q	92.3	Very high	92.6	Very high	61 Å²	61	53.2 Å²	53.2	29%	0.285	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	142.4	-176.8	-69.1	178.1	-12.9	0	0	112.4	M374 R379 D392 N394	M374-Q377 WeakPolarHBondContact O-CB 3.48Å; M374-Q377 PolarHBondContact O-N 3.28Å; Q377-R379 PolarHBondContact O-N 2.75Å; Q377-D392 PolarHBondContact NE2-O 2.93Å; Q377-N394 WeakPolarHBondContact CG-OD1 3.37Å
378	N	92.1	Very high	93.1	Very high	120 Å²	120	48.6 Å²	48.6	64%	0.642	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	25.4	176.7	-63.3	-48.3	0	0	0	113.7	I390 D391 D392	N378-I390 CarbonylContact C-O 3.6Å; N378-I390 WeakPolarHBondContact CA-O 3.49Å; N378-I390 PolarHBondContact N-O 3.43Å; N378-D391 PolarHBondContact N-O 3.43Å; N378-D392 PolarHBondContact OD1-N 3.18Å
379	R	93.6	Very high	93.4	Very high	55 Å²	55	46.6 Å²	46.6	21%	0.208	22%	0.217	C	C	.	.			trans	-91.2	140	-176.8	-164.2	173.9	-169.9	136.3	6.4	110.5	L351 D358 R375 T376 Q377 T389 I390	L351-R379 HydrophobicContact CD1-CB 4.46Å; D358-R379 IonicContact OD2-CZ 3.46Å; D358-R379 IonicContact OD2-NH1 2.81Å; D358-R379 PolarHBondContact OD2-NH1 3.45Å; D358-R379 IonicContact OD2-NH2 3.27Å; D358-R379 PolarHBondContact OD2-NH2 3.13Å; R375-R379 PolarHBondContact O-NH1 3.32Å; T376-R379 WeakPolarHBondContact O-CB 3.41Å; Q377-R379 PolarHBondContact O-N 2.75Å; R379-T389 WeakPolarHBondContact O-CA 3.49Å; R379-I390 PolarHBondContact N-O 3.23Å; R379-I390 PolarHBondContact O-N 2.91Å
380	R	94.9	Very high	93.6	Very high	171 Å²	171	46.8 Å²	46.8	65%	0.645	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.9	174.1	-179	177.2	-151.6	-175.6	6.6	109.6	L387 V388 T389	R380-L387 HydrophobicContact CG-CD1 3.72Å; R380-L387 HydrophobicContact CG-CG 4.42Å; R380-L387 VanDerWaalsContact NE-CD2 3.29Å; R380-V388 WeakPolarHBondContact CA-O 3.29Å; R380-T389 HydrophobicContact CB-CG2 4.18Å; R380-T389 HydrophobicContact CG-CG2 3.84Å
381	F	94.5	Very high	93.6	Very high	15 Å²	15	45 Å²	45	7%	0.066	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	165.3	175.8	70.2	-80	0	0	0	111.3	D347 L350 L351 M354 V388	D347-F381 HydrophobicContact CB-CE2 4.42Å; D347-F381 HydrophobicContact CB-CZ 4.29Å; D347-F381 WeakPolarHBondContact O-CZ 3.4Å; L350-F381 HydrophobicContact CB-CE2 4.36Å; L350-F381 HydrophobicContact CD2-CD2 4.1Å; L350-F381 HydrophobicContact CD2-CE2 3.95Å; L350-F381 HydrophobicContact CG-CE2 4.24Å; L351-F381 HydrophobicContact CB-CE1 3.93Å; L351-F381 HydrophobicContact CB-CZ 3.87Å; L351-F381 HydrophobicContact CD1-CD1 4.32Å; L351-F381 HydrophobicContact CD1-CE1 3.84Å; L351-F381 HydrophobicContact CG-CE1 4.31Å; M354-F381 HydrophobicContact CE-CB 4.36Å; M354-F381 HydrophobicContact CE-CD2 4.12Å; M354-F381 HydrophobicContact CE-CG 4.45Å; M354-F381 HydrophobicContact SD-CB 4.13Å; M354-F381 HydrophobicContact SD-CD2 4.21Å; M354-F381 HydrophobicContact SD-CG 4.1Å; F381-V388 HydrophobicContact CD1-CB 4.08Å; F381-V388 HydrophobicContact CD1-CG1 4.36Å; F381-V388 HydrophobicContact CE1-CB 3.64Å; F381-V388 HydrophobicContact CE1-CG1 3.55Å; F381-V388 HydrophobicContact CE1-CG2 4.39Å; F381-V388 HydrophobicContact CE2-CB 4.21Å; F381-V388 HydrophobicContact CE2-CG2 4.15Å; F381-V388 HydrophobicContact CZ-CB 3.72Å; F381-V388 HydrophobicContact CZ-CG1 3.74Å; F381-V388 HydrophobicContact CZ-CG2 3.95Å; F381-V388 PolarHBondContact N-O 3.45Å; F381-V388 PolarHBondContact O-N 3.29Å
382	W	92.7	Very high	93.5	Very high	191 Å²	191	46.3 Å²	46.3	72%	0.723	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.3	174.9	-70.9	100	0	0	0	109.7	L387	W382-L387 HydrophobicContact CD2-CD1 4.07Å; W382-L387 HydrophobicContact CE3-CB 4.11Å; W382-L387 HydrophobicContact CE3-CD1 4.38Å; W382-L387 HydrophobicContact CH2-CB 4.1Å; W382-L387 HydrophobicContact CH2-CD1 4.37Å; W382-L387 HydrophobicContact CZ2-CD1 4.05Å; W382-L387 HydrophobicContact CZ3-CB 3.83Å
383	G	92.6	Very high	93.3	Very high	16 Å²	16	49.8 Å²	49.8	17%	0.165	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-172.8	174	0	0	0	0	0	112.1	D347 T385 G386	D347-G383 WeakPolarHBondContact OD1-CA 3.31Å; G383-T385 VanDerWaalsContact C-N 3.32Å; G383-G386 PolarHBondContact N-O 3.43Å; G383-G386 PolarHBondContact O-N 2.96Å
384	I	94.1	Very high	93.2	Very high	4 Å²	4	50 Å²	50	2%	0.021	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-30.4	173.3	57.3	83.8	0	0	0	111.3	N311 Y314 F317 Y346 D347 G386	N311-I384 PolarHBondContact ND2-O 2.8Å; N311-I384 VanDerWaalsContact ND2-O 3.08Å; Y314-I384 WeakPolarHBondContact CB-O 3.5Å; Y314-I384 HydrophobicContact CD2-CD1 3.96Å; Y314-I384 HydrophobicContact CE2-CD1 4.33Å; F317-I384 HydrophobicContact CD1-CD1 3.82Å; F317-I384 HydrophobicContact CD2-CD1 4.26Å; F317-I384 HydrophobicContact CD2-CG1 4.28Å; F317-I384 HydrophobicContact CE1-CD1 3.95Å; F317-I384 HydrophobicContact CE2-CD1 4.35Å; F317-I384 HydrophobicContact CG-CD1 3.99Å; F317-I384 HydrophobicContact CG-CG1 4.34Å; F317-I384 HydrophobicContact CZ-CD1 4.21Å; Y346-I384 HydrophobicContact CD1-CB 4.24Å; Y346-I384 HydrophobicContact CD1-CG1 3.46Å; Y346-I384 VanDerWaalsContact CD1-CG1 3.46Å; Y346-I384 HydrophobicContact CD1-CG2 3.78Å; Y346-I384 HydrophobicContact CE1-CB 4.32Å; Y346-I384 HydrophobicContact CE1-CG1 4.02Å; Y346-I384 HydrophobicContact CE1-CG2 3.38Å; Y346-I384 HydrophobicContact CE2-CG2 4.38Å; Y346-I384 HydrophobicContact CG-CG1 3.79Å; Y346-I384 HydrophobicContact CG-CG2 4.48Å; D347-I384 PolarHBondContact OD1-N 3.47Å; I384-G386 PolarHBondContact O-N 3.47Å
385	T	93.9	Very high	93.2	Very high	10 Å²	10	45 Å²	45	6%	0.061	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	20.3	176.2	61.3	0	0	0	0	112.7	Y314 Y340 D347 G383 R396	Y314-T385 HydrophobicContact CD2-CG2 4.1Å; Y314-T385 HydrophobicContact CE2-CG2 3.98Å; Y340-T385 HydrophobicContact CD2-CG2 3.99Å; Y340-T385 HydrophobicContact CE2-CG2 3.98Å; D347-T385 WeakPolarHBondContact OD2-CB 3.07Å; D347-T385 WeakPolarHBondContact OD2-CG2 3.49Å; D347-T385 PolarHBondContact OD2-N 3.36Å; D347-T385 VanDerWaalsContact OD2-N 3.09Å; D347-T385 PolarHBondContact OD2-OG1 3.4Å; G383-T385 VanDerWaalsContact C-N 3.32Å; T385-R396 VanDerWaalsContact OG1-CZ 3.25Å; T385-R396 PolarHBondContact OG1-NH1 3.33Å; T385-R396 PolarHBondContact OG1-NH2 3.36Å
386	G	92.3	Very high	93.3	Very high	11 Å²	11	42.9 Å²	42.9	11%	0.113	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.1	-141.5	-176.5	0	0	0	0	0	112.4	G383 I384 V388	G383-G386 PolarHBondContact N-O 3.43Å; G383-G386 PolarHBondContact O-N 2.96Å; I384-G386 PolarHBondContact O-N 3.47Å; G386-V388 PolarHBondContact O-N 3.26Å
387	L	92.6	Very high	93.4	Very high	47 Å²	47	44 Å²	44	25%	0.246	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.6	-177.5	-177.4	72.9	0	0	0	110.8	R380 W382 T389	R380-L387 HydrophobicContact CG-CD1 3.72Å; R380-L387 HydrophobicContact CG-CG 4.42Å; R380-L387 VanDerWaalsContact NE-CD2 3.29Å; W382-L387 HydrophobicContact CD2-CD1 4.07Å; W382-L387 HydrophobicContact CE3-CB 4.11Å; W382-L387 HydrophobicContact CE3-CD1 4.38Å; W382-L387 HydrophobicContact CH2-CB 4.1Å; W382-L387 HydrophobicContact CH2-CD1 4.37Å; W382-L387 HydrophobicContact CZ2-CD1 4.05Å; W382-L387 HydrophobicContact CZ3-CB 3.83Å; L387-T389 HydrophobicContact CD2-CG2 4.45Å; L387-T389 HydrophobicContact CG-CG2 4.47Å
388	V	94.6	Very high	93.4	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.7	177	-174.1	0	0	0	0	109.3	D347 R380 F381 G386 I390 R396	D347-V388 HydrophobicContact CB-CG2 4.12Å; R380-V388 WeakPolarHBondContact CA-O 3.29Å; F381-V388 HydrophobicContact CD1-CB 4.08Å; F381-V388 HydrophobicContact CD1-CG1 4.36Å; F381-V388 HydrophobicContact CE1-CB 3.64Å; F381-V388 HydrophobicContact CE1-CG1 3.55Å; F381-V388 HydrophobicContact CE1-CG2 4.39Å; F381-V388 HydrophobicContact CE2-CB 4.21Å; F381-V388 HydrophobicContact CE2-CG2 4.15Å; F381-V388 HydrophobicContact CZ-CB 3.72Å; F381-V388 HydrophobicContact CZ-CG1 3.74Å; F381-V388 HydrophobicContact CZ-CG2 3.95Å; F381-V388 PolarHBondContact N-O 3.45Å; F381-V388 PolarHBondContact O-N 3.29Å; G386-V388 PolarHBondContact O-N 3.26Å; V388-I390 HydrophobicContact CG1-CD1 4.13Å; V388-R396 HydrophobicContact CG1-CG 4.31Å
389	T	95.2	Very high	93.5	Very high	14 Å²	14	37.1 Å²	37.1	9%	0.086	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.9	170.7	59.3	0	0	0	0	109.8	R379 R380 L387 R396 N397 S422	R379-T389 WeakPolarHBondContact O-CA 3.49Å; R380-T389 HydrophobicContact CB-CG2 4.18Å; R380-T389 HydrophobicContact CG-CG2 3.84Å; L387-T389 HydrophobicContact CD2-CG2 4.45Å; L387-T389 HydrophobicContact CG-CG2 4.47Å; T389-R396 WeakPolarHBondContact O-CA 3.34Å; T389-N397 PolarHBondContact O-N 2.57Å; T389-N397 WeakPolarHBondContact OG1-CB 3.4Å; T389-N397 PolarHBondContact OG1-ND2 3.42Å; T389-S422 WeakPolarHBondContact CG2-OG 3.26Å; T389-S422 PolarHBondContact OG1-OG 2.91Å
390	I	95.1	Very high	93.6	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-103.4	131.7	174.7	-54.3	-60.1	0	0	0	107.7	L351 T376 N378 R379 V388 R396	L351-I390 HydrophobicContact CD1-CG1 4.44Å; L351-I390 HydrophobicContact CD2-CD1 3.86Å; L351-I390 HydrophobicContact CD2-CG1 3.7Å; T376-I390 WeakPolarHBondContact O-CB 3.42Å; T376-I390 WeakPolarHBondContact O-CG2 3.43Å; N378-I390 CarbonylContact C-O 3.6Å; N378-I390 WeakPolarHBondContact CA-O 3.49Å; N378-I390 PolarHBondContact N-O 3.43Å; R379-I390 PolarHBondContact N-O 3.23Å; R379-I390 PolarHBondContact O-N 2.91Å; V388-I390 HydrophobicContact CG1-CD1 4.13Å; I390-R396 HydrophobicContact CD1-CB 3.82Å; I390-R396 HydrophobicContact CD1-CG 4.41Å
391	D	92.4	Very high	93.6	Very high	17 Å²	17	27 Å²	27	9%	0.091	13%	0.132	C	C	.	.			trans	-77.4	-175	177	73.1	6.1	0	0	0	112.4	K164 N378 K393 N394 A395	K164-D391 VanDerWaalsContact CE-OD2 3.26Å; K164-D391 WeakPolarHBondContact CE-OD2 3.35Å; K164-D391 IonicContact NZ-OD2 3.72Å; K164-D391 PolarHBondContact NZ-OD2 2.99Å; N378-D391 PolarHBondContact N-O 3.43Å; D391-K393 PolarHBondContact O-N 3.41Å; D391-K393 VanDerWaalsContact OD1-CA 3.23Å; D391-K393 WeakPolarHBondContact OD1-CA 3.44Å; D391-K393 WeakPolarHBondContact OD1-CB 3.29Å; D391-K393 PolarHBondContact OD1-N 3.47Å; D391-N394 PolarHBondContact O-N 3.44Å; D391-N394 PolarHBondContact OD1-N 3.13Å; D391-A395 VanDerWaalsContact CG-O 3.23Å; D391-A395 PolarHBondContact N-O 3.31Å; D391-A395 PolarHBondContact OD1-N 3.33Å
392	D	90.8	Very high	93.7	Very high	72 Å²	72	26.3 Å²	26.3	39%	0.385	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.3	177.7	70.8	-48.3	0	0	0	112.2	R149 Q377 N378 N394	R149-D392 IonicContact CZ-OD2 2.7Å; R149-D392 PolarHBondContact NH1-O 3.2Å; R149-D392 VanDerWaalsContact NH2-CG 3.3Å; R149-D392 PolarHBondContact NH2-O 3.46Å; R149-D392 IonicContact NH2-OD1 3.25Å; R149-D392 IonicContact NH2-OD2 3.72Å; R149-D392 PolarHBondContact NH2-OD2 2.9Å; Q377-D392 PolarHBondContact NE2-O 2.93Å; N378-D392 PolarHBondContact OD1-N 3.18Å; D392-N394 VanDerWaalsContact C-N 3.3Å; D392-N394 PolarHBondContact O-N 3.42Å
393	K	89.9	Confident	93.7	Very high	75 Å²	75	19.1 Å²	19.1	33%	0.326	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	15.9	177.5	-60	179.4	177.3	179.8	0	113.5	D147 R149 D391 A395	D147-K393 HydrophobicContact CB-CD 4.45Å; D147-K393 WeakPolarHBondContact OD2-CD 3.28Å; D147-K393 IonicContact OD2-NZ 3.43Å; D147-K393 PolarHBondContact OD2-NZ 3.32Å; R149-K393 VanDerWaalsContact NH2-CG 3.33Å; D391-K393 PolarHBondContact O-N 3.41Å; D391-K393 VanDerWaalsContact OD1-CA 3.23Å; D391-K393 WeakPolarHBondContact OD1-CA 3.44Å; D391-K393 WeakPolarHBondContact OD1-CB 3.29Å; D391-K393 PolarHBondContact OD1-N 3.47Å; K393-A395 PolarHBondContact O-N 3.07Å
394	N	92.8	Very high	93.8	Very high	8 Å²	8	18.4 Å²	18.4	4%	0.043	10%	0.095	C	C	.	.	S	Bend	trans	56.9	28.5	-177	-60.1	-42.6	0	0	0	113.5	I155 V156 R157 T373 T376 Q377 D391 D392	I155-N394 VanDerWaalsContact O-CB 3.23Å; I155-N394 WeakPolarHBondContact O-CB 3.48Å; I155-N394 PolarHBondContact O-ND2 2.94Å; V156-N394 HydrophobicContact CB-CB 4.43Å; V156-N394 HydrophobicContact CG1-CB 4.43Å; V156-N394 HydrophobicContact CG2-CB 4.25Å; R157-N394 PolarHBondContact N-O 3Å; T373-N394 VanDerWaalsContact CG2-ND2 3.29Å; T373-N394 WeakPolarHBondContact CG2-ND2 3.47Å; T376-N394 PolarHBondContact OG1-OD1 3.1Å; Q377-N394 WeakPolarHBondContact CG-OD1 3.37Å; D391-N394 PolarHBondContact O-N 3.44Å; D391-N394 PolarHBondContact OD1-N 3.13Å; D392-N394 VanDerWaalsContact C-N 3.3Å; D392-N394 PolarHBondContact O-N 3.42Å
395	A	94.3	Very high	93.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-109.5	132.9	175.7	0	0	0	0	0	109.8	D391 K393 N397	D391-A395 VanDerWaalsContact CG-O 3.23Å; D391-A395 PolarHBondContact N-O 3.31Å; D391-A395 PolarHBondContact OD1-N 3.33Å; K393-A395 PolarHBondContact O-N 3.07Å; A395-N397 PolarHBondContact O-N 2.74Å
396	R	95.3	Very high	93.4	Very high	5 Å²	5	19 Å²	19	2%	0.019	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-65.6	131.6	172.8	177.1	173.7	179.4	172.3	5.3	110.5	R157 S158 K164 Y340 S344 D347 T385 V388 T389 I390 I398	R157-R396 WeakPolarHBondContact O-CB 3.47Å; R157-R396 PolarHBondContact O-N 3.07Å; S158-R396 WeakPolarHBondContact O-CD 3.41Å; K164-R396 WeakPolarHBondContact CG-O 3.35Å; Y340-R396 PolarHBondContact OH-NH2 3.19Å; S344-R396 PolarHBondContact OG-NH1 3.31Å; D347-R396 IonicContact OD2-NH1 3.8Å; T385-R396 VanDerWaalsContact OG1-CZ 3.25Å; T385-R396 PolarHBondContact OG1-NH1 3.33Å; T385-R396 PolarHBondContact OG1-NH2 3.36Å; V388-R396 HydrophobicContact CG1-CG 4.31Å; T389-R396 WeakPolarHBondContact O-CA 3.34Å; I390-R396 HydrophobicContact CD1-CB 3.82Å; I390-R396 HydrophobicContact CD1-CG 4.41Å; R396-I398 HydrophobicContact CG-CG2 4.42Å
397	N	94.9	Very high	93.1	Very high	24 Å²	24	21.2 Å²	21.2	13%	0.128	11%	0.108	C	C	.	.			trans	-72.7	134.2	164.8	-57.9	-50.2	0	0	0	109	K164 T389 A395 G421	K164-N397 WeakPolarHBondContact CE-OD1 3.47Å; K164-N397 PolarHBondContact NZ-OD1 3.38Å; T389-N397 PolarHBondContact O-N 2.57Å; T389-N397 WeakPolarHBondContact OG1-CB 3.4Å; T389-N397 PolarHBondContact OG1-ND2 3.42Å; A395-N397 PolarHBondContact O-N 2.74Å; N397-G421 WeakPolarHBondContact CB-O 3.44Å
398	I	93.5	Very high	92.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.115	C	C	.	.			trans	-117.4	152.1	-177.8	63.6	177.8	0	0	0	110.8	P160 K164 I165 Y306 R396 V400 G421	P160-I398 HydrophobicContact CB-CD1 3.9Å; P160-I398 HydrophobicContact CB-CG2 4.24Å; P160-I398 HydrophobicContact CG-CG2 4.3Å; K164-I398 HydrophobicContact CB-CD1 3.93Å; K164-I398 HydrophobicContact CB-CG1 3.63Å; I165-I398 HydrophobicContact CG1-CD1 4.13Å; Y306-I398 HydrophobicContact CD1-CD1 3.95Å; Y306-I398 HydrophobicContact CE1-CD1 3.61Å; R396-I398 HydrophobicContact CG-CG2 4.42Å; I398-V400 HydrophobicContact CD1-CG2 4.32Å; I398-V400 HydrophobicContact CG1-CG2 4.22Å; I398-G421 VanDerWaalsContact O-CA 3.23Å; I398-G421 WeakPolarHBondContact O-CA 3.49Å; I398-G421 PolarHBondContact O-N 2.92Å
399	D	94	Very high	91.9	Very high	36 Å²	36	31.7 Å²	31.7	19%	0.193	16%	0.156	C	C	.	.			trans	-98.2	144.7	173.4	-56.3	-26.7	0	0	0	109.8	H307 Y418 F419 G421	H307-D399 HydrophobicContact CB-CB 3.7Å; H307-D399 WeakPolarHBondContact CB-O 3.46Å; H307-D399 PolarHBondContact N-O 2.93Å; D399-Y418 HydrophobicContact CB-CD2 4.46Å; D399-Y418 HydrophobicContact CB-CE2 3.5Å; D399-Y418 PolarHBondContact OD2-OH 3.01Å; D399-F419 WeakPolarHBondContact CA-O 2.99Å; D399-F419 WeakPolarHBondContact CB-O 3.49Å; D399-G421 PolarHBondContact OD1-N 3.26Å
400	V	95.1	Very high	91.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.3	-170.5	-178	0	0	0	0	109.1	F168 I304 T305 I398 F419	F168-V400 HydrophobicContact CB-CB 4.46Å; F168-V400 HydrophobicContact CB-CG2 4.38Å; F168-V400 HydrophobicContact CD1-CB 4.33Å; F168-V400 HydrophobicContact CD1-CG1 3.71Å; F168-V400 HydrophobicContact CE1-CG1 3.95Å; F168-V400 HydrophobicContact CG-CB 4.19Å; F168-V400 HydrophobicContact CG-CG1 4.08Å; I304-V400 HydrophobicContact CG2-CG1 3.43Å; I304-V400 VanDerWaalsContact CG2-CG1 3.43Å; T305-V400 VanDerWaalsContact O-CG1 3.3Å; T305-V400 WeakPolarHBondContact O-CG1 3.43Å; I398-V400 HydrophobicContact CD1-CG2 4.32Å; I398-V400 HydrophobicContact CG1-CG2 4.22Å; V400-F419 HydrophobicContact CB-CB 4.25Å; V400-F419 HydrophobicContact CB-CD1 4.47Å; V400-F419 HydrophobicContact CG2-CD1 4.43Å; V400-F419 PolarHBondContact N-O 2.96Å; V400-F419 PolarHBondContact O-N 3.03Å
401	D	95.1	Very high	90.7	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.059	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.5	177.2	-68.4	-25.8	0	0	0	110.5	T305 H307 V415 Y418	T305-D401 PolarHBondContact N-O 3.2Å; T305-D401 VanDerWaalsContact N-O 3.07Å; T305-D401 PolarHBondContact O-N 2.82Å; H307-D401 WeakPolarHBondContact CA-OD2 3.44Å; H307-D401 IonicContact CE1-OD1 3.93Å; H307-D401 IonicContact CG-OD1 2.93Å; H307-D401 IonicContact CG-OD2 3.08Å; H307-D401 IonicContact ND1-OD1 3.02Å; H307-D401 PolarHBondContact ND1-OD1 3.34Å; H307-D401 IonicContact ND1-OD2 2.85Å; H307-D401 PolarHBondContact ND1-OD2 3.19Å; D401-V415 HydrophobicContact CB-CG1 4.17Å; D401-V415 HydrophobicContact CB-CG2 4.44Å; D401-Y418 WeakPolarHBondContact OD1-CD2 3.26Å
402	L	95.7	Very high	90.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119	171.1	-175.8	66.4	0	0	0	109.3	F168 L172 F302 I304 V416 A417 W428 I434	F168-L402 HydrophobicContact CZ-CB 4.12Å; F168-L402 HydrophobicContact CZ-CD1 4.3Å; L172-L402 HydrophobicContact CD1-CD2 4Å; F302-L402 HydrophobicContact CB-CD1 3.98Å; F302-L402 HydrophobicContact CD1-CD1 4.4Å; I304-L402 HydrophobicContact CG1-CD1 4.09Å; L402-V416 HydrophobicContact CB-CG2 4.39Å; L402-V416 HydrophobicContact CD2-CG2 4.17Å; L402-V416 HydrophobicContact CG-CG2 4.05Å; L402-V416 VanDerWaalsContact O-CG2 3.23Å; L402-V416 WeakPolarHBondContact O-CG2 3.43Å; L402-V416 PolarHBondContact O-N 3.08Å; L402-A417 HydrophobicContact CB-CB 4.08Å; L402-A417 HydrophobicContact CD2-CB 4.32Å; L402-A417 PolarHBondContact N-O 2.9Å; L402-A417 PolarHBondContact O-N 2.02Å; L402-W428 HydrophobicContact CD2-CH2 4.28Å; L402-W428 HydrophobicContact CD2-CZ3 4.46Å; L402-I434 HydrophobicContact CD2-CD1 4.31Å
403	W	94.7	Very high	90.6	Very high	39 Å²	39	33 Å²	33	15%	0.148	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.7	177.9	-61.9	75.3	0	0	0	110.7	L278 F302 I303 T305 F413 G414 V415	L278-W403 HydrophobicContact CD1-CB 4.42Å; L278-W403 HydrophobicContact CD1-CD2 3.56Å; L278-W403 HydrophobicContact CD1-CE3 4.09Å; L278-W403 HydrophobicContact CD1-CG 3.7Å; L278-W403 HydrophobicContact CD1-CZ2 4.17Å; L278-W403 HydrophobicContact CD2-CD2 4.42Å; L278-W403 HydrophobicContact CD2-CE3 4.26Å; F302-W403 WeakPolarHBondContact CA-O 3.13Å; I303-W403 HydrophobicContact CB-CB 4.08Å; I303-W403 PolarHBondContact N-O 2.89Å; I303-W403 WeakPolarHBondContact O-CB 3.21Å; I303-W403 PolarHBondContact O-N 2.78Å; T305-W403 PolarHBondContact OG1-NE1 3.27Å; W403-F413 HydrophobicContact CB-CD1 4.31Å; W403-F413 HydrophobicContact CE3-CB 4.42Å; W403-G414 WeakPolarHBondContact CA-O 3.35Å; W403-V415 HydrophobicContact CD2-CG2 3.72Å; W403-V415 VanDerWaalsContact CE2-CG2 3.42Å; W403-V415 HydrophobicContact CE3-CG2 3.96Å; W403-V415 HydrophobicContact CG-CG2 4.46Å; W403-V415 HydrophobicContact CH2-CG2 3.64Å; W403-V415 HydrophobicContact CZ2-CG2 3.38Å; W403-V415 HydrophobicContact CZ3-CG2 3.93Å
404	S	93.9	Very high	90.7	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160.7	174.8	178.5	0	0	0	0	109	T406 F413 G414	S404-T406 PolarHBondContact O-N 2.64Å; S404-T406 VanDerWaalsContact O-N 3.15Å; S404-F413 WeakPolarHBondContact O-CA 3.43Å; S404-G414 PolarHBondContact N-O 3.29Å; S404-G414 PolarHBondContact O-N 3.01Å
405	M	90.9	Very high	90.7	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	113.1	168.8	-172	179.8	-63.2	0	0	109.6	W284 V295 F298 K299 F413	W284-M405 HydrophobicContact CH2-CE 3.84Å; W284-M405 HydrophobicContact CZ3-CE 4.23Å; V295-M405 HydrophobicContact CG1-CE 4.02Å; V295-M405 HydrophobicContact CG1-SD 3.98Å; F298-M405 HydrophobicContact CB-CE 3.62Å; K299-M405 HydrophobicContact CG-CE 4.39Å; K299-M405 HydrophobicContact CG-SD 3.92Å; M405-F413 HydrophobicContact CB-CD2 4.28Å; M405-F413 HydrophobicContact CB-CE2 3.84Å; M405-F413 HydrophobicContact CB-CZ 4.12Å; M405-F413 HydrophobicContact CE-CE2 3.85Å; M405-F413 HydrophobicContact CE-CZ 4.48Å; M405-F413 HydrophobicContact CG-CE2 4.35Å
406	T	88.1	Confident	90.7	Very high	24 Å²	24	31.4 Å²	31.4	15%	0.147	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-33.4	-179.7	54.9	0	0	0	0	111.7	S404 E412 V416 E432	S404-T406 PolarHBondContact O-N 2.64Å; S404-T406 VanDerWaalsContact O-N 3.15Å; T406-E412 PolarHBondContact N-O 3.36Å; T406-E412 PolarHBondContact OG1-O 3.02Å; T406-V416 HydrophobicContact CG2-CG1 4.04Å; T406-E432 WeakPolarHBondContact CB-OE2 3.21Å; T406-E432 HydrophobicContact CG2-CB 3.84Å; T406-E432 HydrophobicContact CG2-CG 4.01Å; T406-E432 WeakPolarHBondContact CG2-OE2 3.17Å
407	N	86.3	Confident	90.6	Very high	57 Å²	57	31.2 Å²	31.2	31%	0.305	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	107.7	175.8	-172.6	-26.9	0	0	0	110.5	E409 T410 G411 E412	N407-E409 VanDerWaalsContact C-N 3.31Å; N407-E409 PolarHBondContact O-N 3.14Å; N407-E409 WeakPolarHBondContact OD1-CB 3.39Å; N407-E409 PolarHBondContact OD1-N 3.33Å; N407-T410 VanDerWaalsContact CB-OG1 3.26Å; N407-T410 WeakPolarHBondContact CB-OG1 3.07Å; N407-T410 PolarHBondContact ND2-OG1 2.8Å; N407-T410 PolarHBondContact OD1-N 3.29Å; N407-T410 VanDerWaalsContact OD1-N 3.08Å; N407-T410 PolarHBondContact OD1-OG1 3.47Å; N407-G411 VanDerWaalsContact O-CA 3.26Å; N407-G411 WeakPolarHBondContact O-CA 3.02Å; N407-G411 PolarHBondContact O-N 2.97Å; N407-E412 HydrophobicContact CB-CB 4.48Å; N407-E412 PolarHBondContact N-O 3.1Å; N407-E412 PolarHBondContact O-N 3.27Å
408	Q	81.6	Confident	90.6	Very high	83 Å²	83	32.7 Å²	32.7	39%	0.388	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.8	-178.9	-62.4	-172.4	12.7	0	0	113.8	H435	Q408-H435 VanDerWaalsContact NE2-CB 3.27Å
409	E	80.4	Confident	90.7	Very high	187 Å²	187	32.7 Å²	32.7	87%	0.874	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-41.5	178.3	-61.7	-176	174.9	0	0	111.2	N407	N407-E409 VanDerWaalsContact C-N 3.31Å; N407-E409 PolarHBondContact O-N 3.14Å; N407-E409 WeakPolarHBondContact OD1-CB 3.39Å; N407-E409 PolarHBondContact OD1-N 3.33Å
410	T	81.8	Confident	90.6	Very high	54 Å²	54	33 Å²	33	33%	0.331	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-18.9	-179.1	66.2	0	0	0	0	113.4	K282 N407 E412	K282-T410 WeakPolarHBondContact CE-O 3.29Å; K282-T410 PolarHBondContact NZ-O 3.46Å; N407-T410 VanDerWaalsContact CB-OG1 3.26Å; N407-T410 WeakPolarHBondContact CB-OG1 3.07Å; N407-T410 PolarHBondContact ND2-OG1 2.8Å; N407-T410 PolarHBondContact OD1-N 3.29Å; N407-T410 VanDerWaalsContact OD1-N 3.08Å; N407-T410 PolarHBondContact OD1-OG1 3.47Å; T410-E412 VanDerWaalsContact C-N 3.35Å; T410-E412 WeakPolarHBondContact OG1-CG 3.24Å; T410-E412 PolarHBondContact OG1-N 3.37Å
411	G	84.1	Confident	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	21.9	-174.5	0	0	0	0	0	113.8	W284 N407	W284-G411 WeakPolarHBondContact CH2-O 3.39Å; N407-G411 VanDerWaalsContact O-CA 3.26Å; N407-G411 WeakPolarHBondContact O-CA 3.02Å; N407-G411 PolarHBondContact O-N 2.97Å
412	E	88.4	Confident	90.1	Very high	78 Å²	78	34.7 Å²	34.7	36%	0.364	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.3	-178.4	-73.3	175.2	-174.5	0	0	112.1	K282 T406 N407 T410	K282-E412 HydrophobicContact CG-CG 4.38Å; K282-E412 IonicContact NZ-OE1 3.95Å; T406-E412 PolarHBondContact N-O 3.36Å; T406-E412 PolarHBondContact OG1-O 3.02Å; N407-E412 HydrophobicContact CB-CB 4.48Å; N407-E412 PolarHBondContact N-O 3.1Å; N407-E412 PolarHBondContact O-N 3.27Å; T410-E412 VanDerWaalsContact C-N 3.35Å; T410-E412 WeakPolarHBondContact OG1-CG 3.24Å; T410-E412 PolarHBondContact OG1-N 3.37Å
413	F	92	Very high	89.9	Confident	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.8	173.1	-83.3	-118.3	0	0	0	110.9	L278 R281 P283 W284 F298 V301 I303 W403 S404 M405	L278-F413 HydrophobicContact CD2-CB 4.08Å; R281-F413 WeakPolarHBondContact O-CB 3.1Å; R281-F413 PolarHBondContact O-N 2.98Å; P283-F413 HydrophobicContact CG-CD2 4.25Å; P283-F413 HydrophobicContact CG-CE2 4.39Å; P283-F413 HydrophobicContact CG-CG 4.39Å; W284-F413 HydrophobicContact CH2-CE2 4.12Å; W284-F413 HydrophobicContact CZ3-CD2 4.26Å; W284-F413 AromaticContact CZ3-CE2 3.67Å; W284-F413 HydrophobicContact CZ3-CE2 3.67Å; F298-F413 HydrophobicContact CB-CE2 4.24Å; F298-F413 HydrophobicContact CB-CZ 4.17Å; F298-F413 HydrophobicContact CD1-CE2 4.15Å; F298-F413 AromaticContact CD1-CZ 3.83Å; F298-F413 HydrophobicContact CD1-CZ 3.83Å; V301-F413 WeakPolarHBondContact O-CE1 3.26Å; I303-F413 HydrophobicContact CD1-CD1 3.96Å; I303-F413 HydrophobicContact CD1-CE1 3.94Å; I303-F413 HydrophobicContact CG1-CD1 4.44Å; I303-F413 HydrophobicContact CG1-CE1 4.2Å; W403-F413 HydrophobicContact CB-CD1 4.31Å; W403-F413 HydrophobicContact CE3-CB 4.42Å; S404-F413 WeakPolarHBondContact O-CA 3.43Å; M405-F413 HydrophobicContact CB-CD2 4.28Å; M405-F413 HydrophobicContact CB-CE2 3.84Å; M405-F413 HydrophobicContact CB-CZ 4.12Å; M405-F413 HydrophobicContact CE-CE2 3.85Å; M405-F413 HydrophobicContact CE-CZ 4.48Å; M405-F413 HydrophobicContact CG-CE2 4.35Å
414	G	91.8	Very high	89.7	Confident	6 Å²	6	40.7 Å²	40.7	6%	0.062	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.8	174.9	0	0	0	0	0	111.6	W403 S404 V416	W403-G414 WeakPolarHBondContact CA-O 3.35Å; S404-G414 PolarHBondContact N-O 3.29Å; S404-G414 PolarHBondContact O-N 3.01Å; G414-V416 PolarHBondContact O-N 3.25Å
415	V	92.9	Very high	89.6	Confident	44 Å²	44	46.5 Å²	46.5	27%	0.267	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	114.4	176.9	-177.1	0	0	0	0	109.1	D401 W403 A417	D401-V415 HydrophobicContact CB-CG1 4.17Å; D401-V415 HydrophobicContact CB-CG2 4.44Å; W403-V415 HydrophobicContact CD2-CG2 3.72Å; W403-V415 VanDerWaalsContact CE2-CG2 3.42Å; W403-V415 HydrophobicContact CE3-CG2 3.96Å; W403-V415 HydrophobicContact CG-CG2 4.46Å; W403-V415 HydrophobicContact CH2-CG2 3.64Å; W403-V415 HydrophobicContact CZ2-CG2 3.38Å; W403-V415 HydrophobicContact CZ3-CG2 3.93Å; V415-A417 WeakPolarHBondContact CG1-O 3.42Å
416	V	94.4	Very high	89.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-23.3	179.5	-71.3	0	0	0	0	112.6	L402 T406 G414 S429 E432 I434	L402-V416 HydrophobicContact CB-CG2 4.39Å; L402-V416 HydrophobicContact CD2-CG2 4.17Å; L402-V416 HydrophobicContact CG-CG2 4.05Å; L402-V416 VanDerWaalsContact O-CG2 3.23Å; L402-V416 WeakPolarHBondContact O-CG2 3.43Å; L402-V416 PolarHBondContact O-N 3.08Å; T406-V416 HydrophobicContact CG2-CG1 4.04Å; G414-V416 PolarHBondContact O-N 3.25Å; V416-S429 WeakPolarHBondContact O-CB 3.44Å; V416-S429 PolarHBondContact O-N 3.29Å; V416-E432 HydrophobicContact CG1-CB 4.18Å; V416-I434 HydrophobicContact CB-CG1 4.03Å; V416-I434 HydrophobicContact CG1-CG1 4.34Å; V416-I434 HydrophobicContact CG2-CD1 4.29Å; V416-I434 HydrophobicContact CG2-CG1 3.75Å
417	A	94.1	Very high	90	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.017	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	148.5	176.7	0	0	0	0	0	111.3	L402 V415 I426 I427 W428	L402-A417 HydrophobicContact CB-CB 4.08Å; L402-A417 HydrophobicContact CD2-CB 4.32Å; L402-A417 PolarHBondContact N-O 2.9Å; L402-A417 PolarHBondContact O-N 2.02Å; V415-A417 WeakPolarHBondContact CG1-O 3.42Å; A417-I426 HydrophobicContact CB-CG2 3.65Å; A417-I427 WeakPolarHBondContact CA-O 3.34Å; A417-W428 HydrophobicContact CB-CD2 4.13Å; A417-W428 HydrophobicContact CB-CE3 3.63Å; A417-W428 HydrophobicContact CB-CH2 4Å; A417-W428 HydrophobicContact CB-CZ2 4.46Å; A417-W428 HydrophobicContact CB-CZ3 3.55Å
418	Y	92.9	Very high	90.3	Very high	54 Å²	54	52 Å²	52	21%	0.212	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.7	174	161.2	-95.7	0	0	0	108.3	H307 D399 D401 N420 I427	H307-Y418 HydrophobicContact CB-CD2 4.42Å; H307-Y418 HydrophobicContact CB-CE2 4.14Å; H307-Y418 AromaticContact CD2-CE2 3.68Å; H307-Y418 AromaticContact CE1-CD2 3.79Å; H307-Y418 AromaticContact CE1-CE2 3.76Å; H307-Y418 AromaticContact CG-CD2 3.86Å; H307-Y418 AromaticContact CG-CE2 3.54Å; H307-Y418 AromaticContact ND1-CD2 3.49Å; H307-Y418 WeakPolarHBondContact ND1-CD2 3.3Å; H307-Y418 AromaticContact ND1-CE2 3.61Å; H307-Y418 AromaticContact NE2-CE2 3.81Å; D399-Y418 HydrophobicContact CB-CD2 4.46Å; D399-Y418 HydrophobicContact CB-CE2 3.5Å; D399-Y418 PolarHBondContact OD2-OH 3.01Å; D401-Y418 WeakPolarHBondContact OD1-CD2 3.26Å; Y418-N420 HydrophobicContact CE1-CB 3.95Å; Y418-I427 HydrophobicContact CD1-CB 4.27Å; Y418-I427 HydrophobicContact CD1-CD1 4.04Å; Y418-I427 HydrophobicContact CD1-CG1 4.45Å; Y418-I427 HydrophobicContact CE1-CD1 4.18Å; Y418-I427 PolarHBondContact N-O 2.7Å; Y418-I427 PolarHBondContact O-N 3.2Å
419	F	95.7	Very high	90.7	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.5	175.7	176.5	-107.5	0	0	0	110.3	D167 F168 A171 D399 V400 K424 E425 I426	D167-F419 HydrophobicContact CB-CE1 4.45Å; D167-F419 HydrophobicContact CB-CZ 4.2Å; F168-F419 HydrophobicContact CB-CD1 3.7Å; F168-F419 HydrophobicContact CB-CD2 4.47Å; F168-F419 HydrophobicContact CB-CE1 3.87Å; F168-F419 HydrophobicContact CB-CG 4Å; F168-F419 HydrophobicContact CB-CZ 4.32Å; F168-F419 HydrophobicContact CD2-CB 3.39Å; F168-F419 HydrophobicContact CD2-CD1 4.1Å; F168-F419 AromaticContact CD2-CD2 3.85Å; F168-F419 HydrophobicContact CD2-CD2 3.85Å; F168-F419 AromaticContact CD2-CG 3.52Å; F168-F419 HydrophobicContact CD2-CG 3.52Å; F168-F419 HydrophobicContact CE2-CB 3.87Å; F168-F419 HydrophobicContact CE2-CG 4.43Å; F168-F419 HydrophobicContact CG-CB 4.23Å; F168-F419 HydrophobicContact CG-CD1 4.28Å; F168-F419 HydrophobicContact CG-CG 4.16Å; A171-F419 HydrophobicContact CB-CD2 4.32Å; A171-F419 HydrophobicContact CB-CE2 3.8Å; D399-F419 WeakPolarHBondContact CA-O 2.99Å; D399-F419 WeakPolarHBondContact CB-O 3.49Å; V400-F419 HydrophobicContact CB-CB 4.25Å; V400-F419 HydrophobicContact CB-CD1 4.47Å; V400-F419 HydrophobicContact CG2-CD1 4.43Å; V400-F419 PolarHBondContact N-O 2.96Å; V400-F419 PolarHBondContact O-N 3.03Å; F419-K424 VanDerWaalsContact CE2-C 3.47Å; F419-K424 HydrophobicContact CE2-CB 4.48Å; F419-K424 HydrophobicContact CZ-CB 4.28Å; F419-E425 WeakPolarHBondContact CD2-O 3.42Å; F419-I426 HydrophobicContact CD2-CG1 3.75Å
420	N	93.5	Very high	90.9	Very high	41 Å²	41	49.9 Å²	49.9	22%	0.219	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109.5	173.2	-173.5	-44.7	0	0	0	109.3	Y418 S422 S423 K424 E425	Y418-N420 HydrophobicContact CE1-CB 3.95Å; N420-S422 PolarHBondContact O-N 3.5Å; N420-S422 WeakPolarHBondContact OD1-CA 3.19Å; N420-S422 VanDerWaalsContact OD1-CB 3.31Å; N420-S422 WeakPolarHBondContact OD1-CB 3.49Å; N420-S422 PolarHBondContact OD1-N 2.96Å; N420-S423 WeakPolarHBondContact CB-OG 3.49Å; N420-S423 PolarHBondContact O-N 3.47Å; N420-S423 PolarHBondContact OD1-N 3.16Å; N420-K424 VanDerWaalsContact O-CA 3.31Å; N420-K424 WeakPolarHBondContact O-CA 3.29Å; N420-K424 PolarHBondContact O-N 3.07Å; N420-E425 PolarHBondContact N-O 3.2Å; N420-E425 PolarHBondContact O-N 2.94Å
421	G	90.6	Very high	91	Very high	4 Å²	4	53 Å²	53	4%	0.041	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.6	-177.6	0	0	0	0	0	113.9	N397 I398 D399	N397-G421 WeakPolarHBondContact CB-O 3.44Å; I398-G421 VanDerWaalsContact O-CA 3.23Å; I398-G421 WeakPolarHBondContact O-CA 3.49Å; I398-G421 PolarHBondContact O-N 2.92Å; D399-G421 PolarHBondContact OD1-N 3.26Å
422	S	88.6	Confident	91.1	Very high	46 Å²	46	56.4 Å²	56.4	32%	0.322	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-41.3	-179.5	-58.2	0	0	0	0	112.3	T389 N420	T389-S422 WeakPolarHBondContact CG2-OG 3.26Å; T389-S422 PolarHBondContact OG1-OG 2.91Å; N420-S422 PolarHBondContact O-N 3.5Å; N420-S422 WeakPolarHBondContact OD1-CA 3.19Å; N420-S422 VanDerWaalsContact OD1-CB 3.31Å; N420-S422 WeakPolarHBondContact OD1-CB 3.49Å; N420-S422 PolarHBondContact OD1-N 2.96Å
423	S	90.4	Very high	90.9	Very high	58 Å²	58	59.7 Å²	59.7	41%	0.406	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-15.2	174.8	59.9	0	0	0	0	113.1	N420 E425	N420-S423 WeakPolarHBondContact CB-OG 3.49Å; N420-S423 PolarHBondContact O-N 3.47Å; N420-S423 PolarHBondContact OD1-N 3.16Å; S423-E425 VanDerWaalsContact C-N 3.28Å
424	K	90.3	Very high	90.7	Very high	108 Å²	108	61 Å²	61	47%	0.47	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	36.8	-171.8	-57.1	-168	173.8	-156.3	0	113.2	D167 F419 N420	D167-K424 IonicContact OD1-NZ 3.99Å; D167-K424 PolarHBondContact OD1-NZ 3.31Å; D167-K424 IonicContact OD2-NZ 2.8Å; D167-K424 PolarHBondContact OD2-NZ 3.41Å; F419-K424 VanDerWaalsContact CE2-C 3.47Å; F419-K424 HydrophobicContact CE2-CB 4.48Å; F419-K424 HydrophobicContact CZ-CB 4.28Å; N420-K424 VanDerWaalsContact O-CA 3.31Å; N420-K424 WeakPolarHBondContact O-CA 3.29Å; N420-K424 PolarHBondContact O-N 3.07Å
425	E	93	Very high	90.5	Very high	125 Å²	125	64.6 Å²	64.6	58%	0.584	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.7	-179.3	-67.4	178.9	166.6	0	0	111.4	F419 N420 S423	F419-E425 WeakPolarHBondContact CD2-O 3.42Å; N420-E425 PolarHBondContact N-O 3.2Å; N420-E425 PolarHBondContact O-N 2.94Å; S423-E425 VanDerWaalsContact C-N 3.28Å
426	I	93.9	Very high	90.2	Very high	26 Å²	26	64.3 Å²	64.3	13%	0.133	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.9	172.2	-59.9	174.2	0	0	0	108.9	F168 A171 L172 A417 F419 W428	F168-I426 HydrophobicContact CD2-CD1 4.36Å; F168-I426 HydrophobicContact CD2-CG1 4.4Å; F168-I426 HydrophobicContact CE2-CD1 4.05Å; F168-I426 HydrophobicContact CE2-CG1 4.27Å; A171-I426 HydrophobicContact CB-CD1 3.84Å; A171-I426 HydrophobicContact CB-CG1 3.97Å; L172-I426 HydrophobicContact CB-CD1 4.31Å; L172-I426 HydrophobicContact CD1-CD1 4.03Å; A417-I426 HydrophobicContact CB-CG2 3.65Å; F419-I426 HydrophobicContact CD2-CG1 3.75Å; I426-W428 HydrophobicContact CG2-CD2 4.34Å; I426-W428 HydrophobicContact CG2-CH2 4.42Å; I426-W428 HydrophobicContact CG2-CZ2 3.77Å
427	I	93.5	Very high	89.7	Confident	88 Å²	88	66.4 Å²	66.4	45%	0.451	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.4	175.6	-54.8	176.3	0	0	0	108	A417 Y418	A417-I427 WeakPolarHBondContact CA-O 3.34Å; Y418-I427 HydrophobicContact CD1-CB 4.27Å; Y418-I427 HydrophobicContact CD1-CD1 4.04Å; Y418-I427 HydrophobicContact CD1-CG1 4.45Å; Y418-I427 HydrophobicContact CE1-CD1 4.18Å; Y418-I427 PolarHBondContact N-O 2.7Å; Y418-I427 PolarHBondContact O-N 3.2Å
428	W	92.4	Very high	89.1	Confident	84 Å²	84	69.2 Å²	69.2	32%	0.318	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.6	179.7	-65.1	93.7	0	0	0	111.4	Q175 F176 L402 A417 I426 I434	Q175-W428 HydrophobicContact CG-CZ2 3.82Å; F176-W428 HydrophobicContact CE1-CH2 4.47Å; F176-W428 HydrophobicContact CE2-CH2 4.29Å; F176-W428 AromaticContact CZ-CH2 3.64Å; F176-W428 HydrophobicContact CZ-CH2 3.64Å; F176-W428 HydrophobicContact CZ-CZ2 4.17Å; L402-W428 HydrophobicContact CD2-CH2 4.28Å; L402-W428 HydrophobicContact CD2-CZ3 4.46Å; A417-W428 HydrophobicContact CB-CD2 4.13Å; A417-W428 HydrophobicContact CB-CE3 3.63Å; A417-W428 HydrophobicContact CB-CH2 4Å; A417-W428 HydrophobicContact CB-CZ2 4.46Å; A417-W428 HydrophobicContact CB-CZ3 3.55Å; I426-W428 HydrophobicContact CG2-CD2 4.34Å; I426-W428 HydrophobicContact CG2-CH2 4.42Å; I426-W428 HydrophobicContact CG2-CZ2 3.77Å; W428-I434 HydrophobicContact CH2-CD1 3.76Å; W428-I434 HydrophobicContact CZ3-CD1 3.42Å; W428-I434 VanDerWaalsContact CZ3-CD1 3.42Å; W428-I434 HydrophobicContact CZ3-CG1 4.1Å
429	S	90.4	Very high	88.5	Confident	38 Å²	38	70.2 Å²	70.2	27%	0.266	38%	0.379	S	S	.	.			trans	-62.4	141	174.1	-179.3	0	0	0	0	110.6	V416 T431 E432	V416-S429 WeakPolarHBondContact O-CB 3.44Å; V416-S429 PolarHBondContact O-N 3.29Å; S429-T431 PolarHBondContact OG-N 2.91Å; S429-T431 PolarHBondContact OG-OG1 3.3Å; S429-E432 WeakPolarHBondContact CB-O 3.28Å; S429-E432 PolarHBondContact OG-N 2.64Å
430	Q	84.7	Confident	88.1	Confident	189 Å²	189	71.3 Å²	71.3	88%	0.883	39%	0.391	S	S	*	.	S	Bend	trans	-79.3	-27	178.2	-64.1	-176	2.7	0	0	112
431	T	82.4	Confident	87.9	Confident	118 Å²	118	72 Å²	72	72%	0.724	40%	0.398	S	S	*	.	S	Bend	trans	-100	-44.3	-174.7	52.3	0	0	0	0	111.6	S429	S429-T431 PolarHBondContact OG-N 2.91Å; S429-T431 PolarHBondContact OG-OG1 3.3Å
432	E	86.1	Confident	88	Confident	73 Å²	73	72.4 Å²	72.4	34%	0.341	40%	0.4	S	S	.	.			trans	-97.3	131.8	-175.7	-56.4	-61.1	171	0	0	110.3	T406 V416 S429	T406-E432 WeakPolarHBondContact CB-OE2 3.21Å; T406-E432 HydrophobicContact CG2-CB 3.84Å; T406-E432 HydrophobicContact CG2-CG 4.01Å; T406-E432 WeakPolarHBondContact CG2-OE2 3.17Å; V416-E432 HydrophobicContact CG1-CB 4.18Å; S429-E432 WeakPolarHBondContact CB-O 3.28Å; S429-E432 PolarHBondContact OG-N 2.64Å
433	K	84.5	Confident	88	Confident	146 Å²	146	75.7 Å²	75.7	64%	0.635	41%	0.413	S	S	*	.			trans	-123.3	153.2	179.2	-67	-175.3	-178.7	179.9	0	110.9	H435	K433-H435 PolarHBondContact O-CD2 2.86Å; K433-H435 VanDerWaalsContact O-CD2 3.29Å; K433-H435 PolarHBondContact O-N 3.22Å
434	I	88.9	Confident	87.8	Confident	28 Å²	28	73.5 Å²	73.5	14%	0.144	40%	0.397	C	S	.	.			trans	-69.7	124	169.3	-62.7	172.3	0	0	0	108.8	F176 F302 L402 V416 W428 W436	F176-I434 HydrophobicContact CZ-CD1 3.74Å; F302-I434 HydrophobicContact CE1-CD1 4.05Å; F302-I434 HydrophobicContact CE1-CG1 4.1Å; F302-I434 HydrophobicContact CE1-CG2 3.64Å; F302-I434 HydrophobicContact CZ-CG2 3.76Å; L402-I434 HydrophobicContact CD2-CD1 4.31Å; V416-I434 HydrophobicContact CB-CG1 4.03Å; V416-I434 HydrophobicContact CG1-CG1 4.34Å; V416-I434 HydrophobicContact CG2-CD1 4.29Å; V416-I434 HydrophobicContact CG2-CG1 3.75Å; W428-I434 HydrophobicContact CH2-CD1 3.76Å; W428-I434 HydrophobicContact CZ3-CD1 3.42Å; W428-I434 VanDerWaalsContact CZ3-CD1 3.42Å; W428-I434 HydrophobicContact CZ3-CG1 4.1Å; I434-W436 HydrophobicContact CD1-CZ2 4.36Å; I434-W436 HydrophobicContact CG2-CD2 3.8Å; I434-W436 VanDerWaalsContact CG2-CE2 3.44Å; I434-W436 HydrophobicContact CG2-CE3 4.48Å; I434-W436 HydrophobicContact CG2-CG 4.06Å; I434-W436 HydrophobicContact CG2-CZ2 3.85Å
435	H	86.4	Confident	87.6	Confident	83 Å²	83	71.2 Å²	71.2	38%	0.384	39%	0.39	S	S	.	.			trans	-99.8	92.9	173.1	-67.8	-79.3	0	0	0	110.4	Q408 K433	Q408-H435 VanDerWaalsContact NE2-CB 3.27Å; K433-H435 PolarHBondContact O-CD2 2.86Å; K433-H435 VanDerWaalsContact O-CD2 3.29Å; K433-H435 PolarHBondContact O-N 3.22Å
436	W	87.6	Confident	87.1	Confident	37 Å²	37	66.3 Å²	66.3	14%	0.14	37%	0.369	C	S	.	.			trans	-71	127.2	175.5	-64.9	107	0	0	0	111.2	F176 W178 A267 F302 I434 S438 G439 G440 P441 P442	F176-W436 HydrophobicContact CD1-CZ2 4.35Å; F176-W436 AromaticContact CE1-CZ2 3.89Å; F176-W436 HydrophobicContact CE1-CZ2 3.89Å; F176-W436 HydrophobicContact CE2-CZ2 4.39Å; F176-W436 AromaticContact CZ-CZ2 3.91Å; F176-W436 HydrophobicContact CZ-CZ2 3.91Å; W178-W436 HydrophobicContact CH2-CH2 4.28Å; W178-W436 HydrophobicContact CZ2-CH2 4.15Å; A267-W436 HydrophobicContact CB-CH2 4.49Å; A267-W436 HydrophobicContact CB-CZ3 4.26Å; F302-W436 HydrophobicContact CE1-CH2 4.33Å; F302-W436 HydrophobicContact CE2-CE3 4.39Å; F302-W436 AromaticContact CE2-CH2 3.55Å; F302-W436 HydrophobicContact CE2-CH2 3.55Å; F302-W436 AromaticContact CE2-CZ3 3.45Å; F302-W436 HydrophobicContact CE2-CZ3 3.45Å; F302-W436 VanDerWaalsContact CE2-CZ3 3.45Å; F302-W436 HydrophobicContact CZ-CE3 4.03Å; F302-W436 AromaticContact CZ-CH2 3.33Å; F302-W436 HydrophobicContact CZ-CH2 3.33Å; F302-W436 AromaticContact CZ-CZ2 3.93Å; F302-W436 HydrophobicContact CZ-CZ2 3.93Å; F302-W436 AromaticContact CZ-CZ3 3.39Å; F302-W436 HydrophobicContact CZ-CZ3 3.39Å; I434-W436 HydrophobicContact CD1-CZ2 4.36Å; I434-W436 HydrophobicContact CG2-CD2 3.8Å; I434-W436 VanDerWaalsContact CG2-CE2 3.44Å; I434-W436 HydrophobicContact CG2-CE3 4.48Å; I434-W436 HydrophobicContact CG2-CG 4.06Å; I434-W436 HydrophobicContact CG2-CZ2 3.85Å; W436-S438 VanDerWaalsContact C-N 3.33Å; W436-S438 PolarHBondContact O-N 3.1Å; W436-G439 PolarHBondContact O-N 3.2Å; W436-G440 VanDerWaalsContact CB-O 3.31Å; W436-G440 WeakPolarHBondContact CB-O 3.32Å; W436-P441 HydrophobicContact CD2-CB 4.31Å; W436-P441 HydrophobicContact CH2-CB 4.12Å; W436-P441 HydrophobicContact CZ2-CB 3.72Å; W436-P442 HydrophobicContact CZ3-CG 4.27Å
437	P	83.6	Confident	86	Confident	45 Å²	45	69.8 Å²	69.8	29%	0.292	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-43.2	179.8	-28.2	36.7	0	0	0	113.4	E264 K299 G439	E264-P437 HydrophobicContact CB-CB 3.56Å; E264-P437 HydrophobicContact CB-CG 4.33Å; K299-P437 HydrophobicContact CB-CG 3.86Å; P437-G439 VanDerWaalsContact C-N 3.29Å; P437-G439 PolarHBondContact O-N 3.25Å
438	S	81.1	Confident	84.8	Confident	61 Å²	61	68.9 Å²	68.9	43%	0.427	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	13.3	178.8	-48.2	0	0	0	0	114.1	W436 G440	W436-S438 VanDerWaalsContact C-N 3.33Å; W436-S438 PolarHBondContact O-N 3.1Å; S438-G440 VanDerWaalsContact C-N 3.33Å; S438-G440 PolarHBondContact O-N 2.71Å
439	G	81.6	Confident	83.8	Confident	74 Å²	74	67.9 Å²	67.9	76%	0.763	40%	0.396	S	S	*	.	S	Bend	trans	83.9	-7.3	177.8	0	0	0	0	0	116.2	W436 P437	W436-G439 PolarHBondContact O-N 3.2Å; P437-G439 VanDerWaalsContact C-N 3.29Å; P437-G439 PolarHBondContact O-N 3.25Å
440	G	86.3	Confident	83	Confident	26 Å²	26	67.5 Å²	67.5	27%	0.268	39%	0.39	S	S	.	.	S	Bend	trans	-160.2	170.5	174.6	0	0	0	0	0	112.3	W436 S438	W436-G440 VanDerWaalsContact CB-O 3.31Å; W436-G440 WeakPolarHBondContact CB-O 3.32Å; S438-G440 VanDerWaalsContact C-N 3.33Å; S438-G440 PolarHBondContact O-N 2.71Å
441	P	90.6	Very high	81.8	Confident	55 Å²	55	61 Å²	61	36%	0.357	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-60.2	140.4	178	26.5	-34.2	0	0	0	110.6	F176 W178 W436	F176-P441 HydrophobicContact CB-CB 4.43Å; F176-P441 HydrophobicContact CD1-CB 3.96Å; F176-P441 HydrophobicContact CD1-CG 4.09Å; F176-P441 HydrophobicContact CG-CB 4.37Å; W178-P441 HydrophobicContact CZ2-CB 4.27Å; W436-P441 HydrophobicContact CD2-CB 4.31Å; W436-P441 HydrophobicContact CH2-CB 4.12Å; W436-P441 HydrophobicContact CZ2-CB 3.72Å
442	P	90.8	Very high	80.5	Confident	13 Å²	13	61.2 Å²	61.2	8%	0.084	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-65	148.9	178.6	26.6	-33.4	0	0	0	110.9	W178 I239 N265 A267 W436	W178-P442 PolarHBondContact NE1-O 3.45Å; I239-P442 HydrophobicContact CD1-CG 4.06Å; N265-P442 VanDerWaalsContact O-CB 3.28Å; N265-P442 WeakPolarHBondContact O-CB 3.46Å; A267-P442 HydrophobicContact CB-CG 3.73Å; W436-P442 HydrophobicContact CZ3-CG 4.27Å
443	L	88.8	Confident	78.9	Confident	114 Å²	114	65 Å²	65	60%	0.597	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-71.6	132.5	172.4	-62.6	176.4	0	0	0	109.2	N445	L443-N445 VanDerWaalsContact C-N 3.34Å
444	D	87.6	Confident	77.4	Confident	13 Å²	13	61.9 Å²	61.9	7%	0.07	38%	0.38	C	S	.	.	S	Bend	trans	-70.9	-30.6	177.5	64.3	-26.9	0	0	0	112.6	W178 T179 S180 I239	W178-D444 WeakPolarHBondContact CA-OD2 3.13Å; W178-D444 HydrophobicContact CB-CB 4.11Å; W178-D444 HydrophobicContact CG-CB 4.19Å; T179-D444 PolarHBondContact N-OD2 3.41Å; S180-D444 WeakPolarHBondContact CA-OD2 3.35Å; S180-D444 VanDerWaalsContact CB-OD2 3.31Å; S180-D444 WeakPolarHBondContact CB-OD2 3.47Å; S180-D444 PolarHBondContact N-OD2 3.32Å; I239-D444 HydrophobicContact CG1-CB 3.79Å
445	N	86.4	Confident	75.8	Confident	60 Å²	60	66 Å²	66	32%	0.321	41%	0.409	S	S	.	.	S	Bend	trans	-127.9	82.7	171.1	-172.8	35.4	0	0	0	111.2	L443	L443-N445 VanDerWaalsContact C-N 3.34Å
446	P	81	Confident	74.4	Confident	22 Å²	22	66.5 Å²	66.5	14%	0.143	42%	0.421	C	S	.	.			trans	-64.4	138.5	176.5	24	-29.6	0	0	0	111	R238 V449 F450	R238-P446 HydrophobicContact CG-CG 3.96Å; P446-V449 HydrophobicContact CB-CB 4.47Å; P446-V449 HydrophobicContact CB-CG2 3.9Å; P446-V449 HydrophobicContact CG-CB 3.9Å; P446-V449 HydrophobicContact CG-CG1 4.29Å; P446-V449 HydrophobicContact CG-CG2 3.73Å; P446-F450 HydrophobicContact CG-CE2 4.09Å
447	P	70.4	Confident	73	Confident	99 Å²	99	66.9 Å²	66.9	64%	0.643	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	141.6	-179.8	24.1	-32.3	0	0	0	110.8	V449	P447-V449 PolarHBondContact O-N 2.93Å; P447-V449 VanDerWaalsContact O-N 3.16Å
448	C	68.3	Low	71.5	Confident	68 Å²	68	72 Å²	72	46%	0.459	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	2.5	175.1	-45.5	0	0	0	0	117.3	C457	C448-C457 WeakPolarHBondContact CA-SG 3.41Å; C448-C457 HydrophobicContact CB-CB 3.72Å; C448-C457 WeakPolarHBondContact CB-SG 3.44Å; C448-C457 WeakPolarHBondContact SG-CB 3.15Å; C448-C457 CovalentContact SG-SG 2.02Å; C448-C457 PolarHBondContact SG-SG 3.45Å
449	V	72.6	Confident	70	Confident	63 Å²	63	77.1 Å²	77.1	38%	0.382	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-47.7	-179.8	174.9	0	0	0	0	112.3	P446 P447	P446-V449 HydrophobicContact CB-CB 4.47Å; P446-V449 HydrophobicContact CB-CG2 3.9Å; P446-V449 HydrophobicContact CG-CB 3.9Å; P446-V449 HydrophobicContact CG-CG1 4.29Å; P446-V449 HydrophobicContact CG-CG2 3.73Å; P447-V449 PolarHBondContact O-N 2.93Å; P447-V449 VanDerWaalsContact O-N 3.16Å
450	F	73.4	Confident	68.3	Low	30 Å²	30	76.9 Å²	76.9	13%	0.132	47%	0.474	C	S	.	.	S	Bend	trans	-107.8	-6.2	-174.4	-56.8	-60.8	0	0	0	114.3	E235 R238 P446	E235-F450 VanDerWaalsContact C-CE1 3.49Å; E235-F450 WeakPolarHBondContact O-CD1 3.24Å; E235-F450 WeakPolarHBondContact O-CE1 3.41Å; R238-F450 HydrophobicContact CG-CE2 4.47Å; R238-F450 HydrophobicContact CG-CZ 4.46Å; R238-F450 VanDerWaalsContact NH1-CZ 3.3Å; P446-F450 HydrophobicContact CG-CE2 4.09Å
451	S	58.8	Low	66.5	Low	54 Å²	54	84.7 Å²	84.7	38%	0.378	50%	0.504	S	S	.	.			trans	-126.7	80.3	-179.7	-60.3	0	0	0	0	108.5	D453	S451-D453 PolarHBondContact O-N 3.48Å
452	T	55.1	Low	64	Low	121 Å²	121	89.8 Å²	89.8	74%	0.742	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-7.7	178.1	45.8	0	0	0	0	113.5
453	D	54.1	Low	62.4	Low	152 Å²	152	94 Å²	94	81%	0.813	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	1.6	-176.4	-63.7	-23.7	0	0	0	113.6	S451 P455	S451-D453 PolarHBondContact O-N 3.48Å; D453-P455 WeakPolarHBondContact O-CD 3.21Å
454	D	51.9	Low	60.7	Low	82 Å²	82	94.8 Å²	94.8	44%	0.439	56%	0.564	S	S	.	*			trans	-81	115.6	177.4	-161.4	-35.4	0	0	0	110.5	S456 C457	D454-S456 PolarHBondContact O-N 2.79Å; D454-S456 WeakPolarHBondContact OD1-CB 3.16Å; D454-S456 PolarHBondContact OD1-N 3.43Å; D454-S456 PolarHBondContact OD1-OG 3.06Å; D454-C457 PolarHBondContact O-N 2.9Å
455	P	55.9	Low	58.9	Low	115 Å²	115	101.4 Å²	101.4	75%	0.747	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-66	-7.7	-176.1	25	-32.7	0	0	0	114.1	D453 C457	D453-P455 WeakPolarHBondContact O-CD 3.21Å; P455-C457 VanDerWaalsContact C-N 3.32Å
456	S	56.9	Low	57.3	Low	93 Å²	93	99.8 Å²	99.8	65%	0.65	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-76.4	-13	174.8	59.6	0	0	0	0	114.5	D454	D454-S456 PolarHBondContact O-N 2.79Å; D454-S456 WeakPolarHBondContact OD1-CB 3.16Å; D454-S456 PolarHBondContact OD1-N 3.43Å; D454-S456 PolarHBondContact OD1-OG 3.06Å
457	C	57.8	Low	56.3	Low	44 Å²	44	105.4 Å²	105.4	30%	0.297	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-92	-0.3	-176.2	-66.4	0	0	0	0	115	C448 D454 P455	C448-C457 WeakPolarHBondContact CA-SG 3.41Å; C448-C457 HydrophobicContact CB-CB 3.72Å; C448-C457 WeakPolarHBondContact CB-SG 3.44Å; C448-C457 WeakPolarHBondContact SG-CB 3.15Å; C448-C457 CovalentContact SG-SG 2.02Å; C448-C457 PolarHBondContact SG-SG 3.45Å; D454-C457 PolarHBondContact O-N 2.9Å; P455-C457 VanDerWaalsContact C-N 3.32Å
458	N	51.7	Low	55.7	Low	152 Å²	152	106.2 Å²	106.2	81%	0.813	63%	0.626	S	S	*	*			trans	-100.7	81.5	179.1	-90.8	-19.7	0	0	0	111.6
459	D	49.2	Very low	55.3	Low	169 Å²	169	105.9 Å²	105.9	90%	0.904	63%	0.628	S	S	*	*			trans	-116	109.9	162.7	-112	-15.9	0	0	0	109.1
460	G	47.5	Very low	54.8	Low	70 Å²	70	107.2 Å²	107.2	72%	0.722	64%	0.636	S	S	*	*	S	Bend	trans	151.6	78.5	171.9	0	0	0	0	0	116.9
461	Q	47.4	Very low	54.3	Low	190 Å²	190	108.1 Å²	108.1	89%	0.888	65%	0.654	S	S	*	*			trans	39	103.7	151.1	-61.2	-172.2	-3.6	0	0	119.2	P463	Q461-P463 WeakPolarHBondContact O-CD 3.47Å
462	L	39.5	Very low	54.6	Low	161 Å²	161	108.9 Å²	108.9	84%	0.843	66%	0.66	S	S	*	*			trans	-73.6	125.9	162.7	-97.1	90.1	0	0	0	111.6
463	P	56.3	Low	55.2	Low	102 Å²	102	104.4 Å²	104.4	66%	0.662	64%	0.637	S	S	*	*			trans	-81.3	153.1	166	3.4	14.4	0	0	0	110.9	Q461 L465 G466	Q461-P463 WeakPolarHBondContact O-CD 3.47Å; P463-L465 PolarHBondContact O-N 3.12Å; P463-G466 PolarHBondContact O-N 3.37Å
464	V	52.9	Low	56	Low	130 Å²	130	101.8 Å²	101.8	79%	0.788	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-5.2	-172.7	176.7	0	0	0	0	115.3	G466	V464-G466 VanDerWaalsContact C-N 3.34Å; V464-G466 PolarHBondContact O-N 3.1Å
465	L	50.2	Low	57	Low	153 Å²	153	100.8 Å²	100.8	80%	0.801	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-20.7	175.3	-148.9	76.9	0	0	0	113.7	P463 I467	P463-L465 PolarHBondContact O-N 3.12Å; L465-I467 VanDerWaalsContact C-N 3.32Å; L465-I467 PolarHBondContact O-N 3.09Å
466	G	53.4	Low	58	Low	26 Å²	26	101.5 Å²	101.5	27%	0.268	62%	0.623	S	S	.	*	H	α-helix	trans	-67.1	-25.5	-176.4	0	0	0	0	0	115	P463 V464 V468 A469 V470	P463-G466 PolarHBondContact O-N 3.37Å; V464-G466 VanDerWaalsContact C-N 3.34Å; V464-G466 PolarHBondContact O-N 3.1Å; G466-V468 VanDerWaalsContact C-N 3.32Å; G466-V468 PolarHBondContact O-N 3.47Å; G466-A469 PolarHBondContact O-N 2.96Å; G466-V470 VanDerWaalsContact O-CG2 3.29Å; G466-V470 WeakPolarHBondContact O-CG2 3.36Å; G466-V470 PolarHBondContact O-N 3.16Å
467	I	58.3	Low	59	Low	140 Å²	140	101.9 Å²	101.9	72%	0.718	62%	0.617	S	S	*	*	H	α-helix	trans	-71.8	-28.6	-175	-62.1	173.4	0	0	0	111.6	L465	L465-I467 VanDerWaalsContact C-N 3.32Å; L465-I467 PolarHBondContact O-N 3.09Å
468	V	58.9	Low	60	Low	116 Å²	116	105.2 Å²	105.2	70%	0.703	63%	0.63	S	S	*	*	H	α-helix	trans	-82.3	-33	179.2	-177.9	0	0	0	0	111.7	G466	G466-V468 VanDerWaalsContact C-N 3.32Å; G466-V468 PolarHBondContact O-N 3.47Å
469	A	59.1	Low	61.5	Low	60 Å²	60	105.1 Å²	105.1	50%	0.496	62%	0.623	S	S	.	*	H	α-helix	trans	-72.8	-31.6	178.4	0	0	0	0	0	113.2	G466 G471 S472 G473	G466-A469 PolarHBondContact O-N 2.96Å; A469-G471 VanDerWaalsContact C-N 3.32Å; A469-G471 PolarHBondContact O-N 2.82Å; A469-S472 PolarHBondContact O-N 3.23Å; A469-S472 PolarHBondContact O-OG 3.36Å; A469-G473 PolarHBondContact O-N 2.98Å
470	V	62.9	Low	63	Low	91 Å²	91	99 Å²	99	55%	0.552	60%	0.599	S	S	*	*	H	α-helix	trans	-66.6	-35	176.5	172.1	0	0	0	0	111.4	G466 L474	G466-V470 VanDerWaalsContact O-CG2 3.29Å; G466-V470 WeakPolarHBondContact O-CG2 3.36Å; G466-V470 PolarHBondContact O-N 3.16Å; V470-L474 HydrophobicContact CG1-CD1 3.88Å; V470-L474 WeakPolarHBondContact O-CB 3.36Å; V470-L474 WeakPolarHBondContact O-CD1 3.33Å; V470-L474 WeakPolarHBondContact O-CG 3.18Å; V470-L474 PolarHBondContact O-N 3.05Å
471	G	62.8	Low	64.6	Low	50 Å²	50	100.1 Å²	100.1	52%	0.515	59%	0.588	S	S	.	*	H	α-helix	trans	-66.9	-41.3	177.3	0	0	0	0	0	113.8	A469	A469-G471 VanDerWaalsContact C-N 3.32Å; A469-G471 PolarHBondContact O-N 2.82Å
472	S	64.3	Low	66.2	Low	70 Å²	70	93.2 Å²	93.2	49%	0.49	56%	0.56	S	S	.	*	H	α-helix	trans	-77.5	-33.7	177	52.3	0	0	0	0	112.6	A469 A475 L476	A469-S472 PolarHBondContact O-N 3.23Å; A469-S472 PolarHBondContact O-OG 3.36Å; S472-A475 PolarHBondContact O-N 3.45Å; S472-L476 PolarHBondContact O-N 3.16Å
473	G	69.2	Low	68.2	Low	27 Å²	27	88.6 Å²	88.6	28%	0.278	54%	0.542	S	S	.	.	H	α-helix	trans	-63.6	-42.6	173.8	0	0	0	0	0	113	A469 A475 L476 I477	A469-G473 PolarHBondContact O-N 2.98Å; G473-A475 VanDerWaalsContact C-N 3.34Å; G473-A475 PolarHBondContact O-N 2.97Å; G473-L476 PolarHBondContact O-N 2.88Å; G473-I477 VanDerWaalsContact O-CG1 3.28Å; G473-I477 WeakPolarHBondContact O-CG1 3.4Å; G473-I477 PolarHBondContact O-N 2.9Å
474	L	70.6	Confident	69.4	Low	97 Å²	97	89.5 Å²	89.5	51%	0.508	54%	0.535	S	S	.	.	H	α-helix	trans	-63.7	-37.7	176.8	-80.1	164.2	0	0	0	112.4	V470 I477 I478	V470-L474 HydrophobicContact CG1-CD1 3.88Å; V470-L474 WeakPolarHBondContact O-CB 3.36Å; V470-L474 WeakPolarHBondContact O-CD1 3.33Å; V470-L474 WeakPolarHBondContact O-CG 3.18Å; V470-L474 PolarHBondContact O-N 3.05Å; L474-I477 PolarHBondContact O-N 2.83Å; L474-I478 WeakPolarHBondContact O-CB 3.3Å; L474-I478 WeakPolarHBondContact O-CD1 3.18Å; L474-I478 WeakPolarHBondContact O-CG1 3.47Å; L474-I478 PolarHBondContact O-N 2.98Å
475	A	73.3	Confident	70.8	Confident	61 Å²	61	88 Å²	88	50%	0.504	52%	0.522	S	S	.	.	H	α-helix	trans	-66.5	-40.1	176.4	0	0	0	0	0	112.3	S472 G473 I478 F479	S472-A475 PolarHBondContact O-N 3.45Å; G473-A475 VanDerWaalsContact C-N 3.34Å; G473-A475 PolarHBondContact O-N 2.97Å; A475-I478 PolarHBondContact O-N 2.62Å; A475-F479 WeakPolarHBondContact O-CB 3.12Å; A475-F479 PolarHBondContact O-N 2.94Å
476	L	76.9	Confident	72.4	Confident	129 Å²	129	85.4 Å²	85.4	68%	0.675	51%	0.508	S	S	*	.	H	α-helix	trans	-69.1	-37	176.3	-74	171.7	0	0	0	112.5	S472 G473 F479 G480	S472-L476 PolarHBondContact O-N 3.16Å; G473-L476 PolarHBondContact O-N 2.88Å; L476-F479 PolarHBondContact O-N 3.23Å; L476-G480 PolarHBondContact O-N 2.94Å
477	I	76.1	Confident	73.8	Confident	102 Å²	102	91 Å²	91	52%	0.523	52%	0.522	S	S	.	.	H	α-helix	trans	-66	-42.7	174.8	-68.9	167.1	0	0	0	110.4	G473 L474 F479 G480 I481	G473-I477 VanDerWaalsContact O-CG1 3.28Å; G473-I477 WeakPolarHBondContact O-CG1 3.4Å; G473-I477 PolarHBondContact O-N 2.9Å; L474-I477 PolarHBondContact O-N 2.83Å; I477-F479 VanDerWaalsContact C-N 3.33Å; I477-F479 PolarHBondContact O-N 3.16Å; I477-G480 PolarHBondContact O-N 3.23Å; I477-I481 HydrophobicContact CG2-CD1 3.67Å; I477-I481 HydrophobicContact CG2-CG1 4.32Å; I477-I481 WeakPolarHBondContact O-CB 3.06Å; I477-I481 VanDerWaalsContact O-CG1 3.25Å; I477-I481 WeakPolarHBondContact O-CG1 3.5Å; I477-I481 PolarHBondContact O-N 3.44Å
478	I	80.3	Confident	74.8	Confident	113 Å²	113	92.4 Å²	92.4	58%	0.579	52%	0.518	S	S	*	.	H	α-helix	trans	-64.1	-39.8	175.8	-67.5	165.2	0	0	0	110.9	L474 A475 S482	L474-I478 WeakPolarHBondContact O-CB 3.3Å; L474-I478 WeakPolarHBondContact O-CD1 3.18Å; L474-I478 WeakPolarHBondContact O-CG1 3.47Å; L474-I478 PolarHBondContact O-N 2.98Å; A475-I478 PolarHBondContact O-N 2.62Å; I478-S482 WeakPolarHBondContact O-CB 3.26Å; I478-S482 PolarHBondContact O-N 3.16Å; I478-S482 PolarHBondContact O-OG 3.2Å
479	F	82.4	Confident	75.8	Confident	151 Å²	151	92.8 Å²	92.8	66%	0.662	51%	0.511	S	S	*	.	H	α-helix	trans	-67.4	-38.6	175.4	-157.9	-93.4	0	0	0	112.1	A475 L476 I477 S482 S483	A475-F479 WeakPolarHBondContact O-CB 3.12Å; A475-F479 PolarHBondContact O-N 2.94Å; L476-F479 PolarHBondContact O-N 3.23Å; I477-F479 VanDerWaalsContact C-N 3.33Å; I477-F479 PolarHBondContact O-N 3.16Å; F479-S482 WeakPolarHBondContact CA-OG 3.39Å; F479-S482 PolarHBondContact O-OG 3.16Å; F479-S483 WeakPolarHBondContact O-CB 3.38Å; F479-S483 PolarHBondContact O-N 2.66Å
480	G	80.5	Confident	76.7	Confident	39 Å²	39	94.8 Å²	94.8	40%	0.402	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-46.5	174.5	0	0	0	0	0	112.6	L476 I477 S483 F484	L476-G480 PolarHBondContact O-N 2.94Å; I477-G480 PolarHBondContact O-N 3.23Å; G480-S483 PolarHBondContact O-N 2.86Å; G480-F484 VanDerWaalsContact O-CB 3.29Å; G480-F484 WeakPolarHBondContact O-CB 3.35Å; G480-F484 PolarHBondContact O-N 3.42Å
481	I	81.6	Confident	77.4	Confident	95 Å²	95	95.5 Å²	95.5	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-44.1	177.5	-66.7	167.3	0	0	0	110.5	I477 F484 L485	I477-I481 HydrophobicContact CG2-CD1 3.67Å; I477-I481 HydrophobicContact CG2-CG1 4.32Å; I477-I481 WeakPolarHBondContact O-CB 3.06Å; I477-I481 VanDerWaalsContact O-CG1 3.25Å; I477-I481 WeakPolarHBondContact O-CG1 3.5Å; I477-I481 PolarHBondContact O-N 3.44Å; I481-F484 PolarHBondContact O-N 3.15Å; I481-L485 HydrophobicContact CG2-CD1 3.93Å; I481-L485 HydrophobicContact CG2-CG 4.3Å; I481-L485 WeakPolarHBondContact O-CB 3.19Å; I481-L485 VanDerWaalsContact O-CG 3.24Å; I481-L485 WeakPolarHBondContact O-CG 3.2Å; I481-L485 PolarHBondContact O-N 2.78Å
482	S	79.8	Confident	77.8	Confident	44 Å²	44	96.1 Å²	96.1	31%	0.308	50%	0.499	S	S	.	.	H	α-helix	trans	-65.8	-42.4	177.9	55.9	0	0	0	0	112.1	I478 F479 F484 L485 I486	I478-S482 WeakPolarHBondContact O-CB 3.26Å; I478-S482 PolarHBondContact O-N 3.16Å; I478-S482 PolarHBondContact O-OG 3.2Å; F479-S482 WeakPolarHBondContact CA-OG 3.39Å; F479-S482 PolarHBondContact O-OG 3.16Å; S482-F484 PolarHBondContact O-N 3.27Å; S482-L485 PolarHBondContact O-N 3.43Å; S482-I486 WeakPolarHBondContact O-CB 3.33Å; S482-I486 WeakPolarHBondContact O-CD1 3.33Å; S482-I486 WeakPolarHBondContact O-CG1 3.33Å; S482-I486 PolarHBondContact O-N 3.1Å
483	S	82.2	Confident	78.1	Confident	65 Å²	65	96.5 Å²	96.5	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-61.6	-41.6	173.3	-172.9	0	0	0	0	112	F479 G480 I486 Y487	F479-S483 WeakPolarHBondContact O-CB 3.38Å; F479-S483 PolarHBondContact O-N 2.66Å; G480-S483 PolarHBondContact O-N 2.86Å; S483-I486 PolarHBondContact O-N 3.1Å; S483-Y487 WeakPolarHBondContact O-CB 3.5Å; S483-Y487 PolarHBondContact O-N 2.76Å
484	F	82.2	Confident	78.4	Confident	121 Å²	121	103.3 Å²	103.3	53%	0.531	52%	0.515	S	S	.	.	H	α-helix	trans	-65	-42.7	175.2	178.2	-100	0	0	0	112.5	G480 I481 S482 I486 Y487 R488	G480-F484 VanDerWaalsContact O-CB 3.29Å; G480-F484 WeakPolarHBondContact O-CB 3.35Å; G480-F484 PolarHBondContact O-N 3.42Å; I481-F484 PolarHBondContact O-N 3.15Å; S482-F484 PolarHBondContact O-N 3.27Å; F484-I486 VanDerWaalsContact C-N 3.35Å; F484-Y487 PolarHBondContact O-N 2.65Å; F484-R488 VanDerWaalsContact O-CB 3.31Å; F484-R488 WeakPolarHBondContact O-CB 3.42Å; F484-R488 PolarHBondContact O-N 3.44Å
485	L	82.1	Confident	78.2	Confident	98 Å²	98	103 Å²	103	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-66.2	-37.9	176	-70.7	174.7	0	0	0	111.6	I481 S482 K489	I481-L485 HydrophobicContact CG2-CD1 3.93Å; I481-L485 HydrophobicContact CG2-CG 4.3Å; I481-L485 WeakPolarHBondContact O-CB 3.19Å; I481-L485 VanDerWaalsContact O-CG 3.24Å; I481-L485 WeakPolarHBondContact O-CG 3.2Å; I481-L485 PolarHBondContact O-N 2.78Å; S482-L485 PolarHBondContact O-N 3.43Å; L485-K489 VanDerWaalsContact O-CB 3.28Å; L485-K489 WeakPolarHBondContact O-CB 3.31Å; L485-K489 PolarHBondContact O-N 2.9Å
486	I	82.9	Confident	77.8	Confident	98 Å²	98	101.1 Å²	101.1	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-46.4	173.3	-69.4	164.1	0	0	0	110	S482 S483 F484 R488 K489 L490	S482-I486 WeakPolarHBondContact O-CB 3.33Å; S482-I486 WeakPolarHBondContact O-CD1 3.33Å; S482-I486 WeakPolarHBondContact O-CG1 3.33Å; S482-I486 PolarHBondContact O-N 3.1Å; S483-I486 PolarHBondContact O-N 3.1Å; F484-I486 VanDerWaalsContact C-N 3.35Å; I486-R488 PolarHBondContact O-N 3.18Å; I486-K489 WeakPolarHBondContact O-CB 3.47Å; I486-K489 PolarHBondContact O-N 2.83Å; I486-L490 HydrophobicContact CG2-CD1 3.79Å; I486-L490 HydrophobicContact CG2-CG 4.23Å; I486-L490 WeakPolarHBondContact O-CB 3.47Å; I486-L490 VanDerWaalsContact O-CG 3.27Å; I486-L490 WeakPolarHBondContact O-CG 3.38Å; I486-L490 PolarHBondContact O-N 3.07Å
487	Y	82.8	Confident	77.1	Confident	144 Å²	144	98.5 Å²	98.5	57%	0.565	49%	0.489	S	S	*	.	H	α-helix	trans	-60.8	-44.7	176.2	176.2	-105.1	0	0	0	111.8	S483 F484 K489 L490 K491	S483-Y487 WeakPolarHBondContact O-CB 3.5Å; S483-Y487 PolarHBondContact O-N 2.76Å; F484-Y487 PolarHBondContact O-N 2.65Å; Y487-K489 VanDerWaalsContact C-N 3.32Å; Y487-K489 PolarHBondContact O-N 3.46Å; Y487-L490 PolarHBondContact O-N 3.02Å; Y487-K491 HydrophobicContact CE1-CD 4.48Å; Y487-K491 VanDerWaalsContact O-CB 3.32Å; Y487-K491 WeakPolarHBondContact O-CB 3.43Å; Y487-K491 PolarHBondContact O-N 3.21Å
488	R	80.3	Confident	76.6	Confident	169 Å²	169	95.6 Å²	95.6	64%	0.638	49%	0.485	S	S	*	.	H	α-helix	trans	-62.6	-40.1	175.8	-170.7	178	176.6	-176.5	-0.3	111.2	F484 I486 L492	F484-R488 VanDerWaalsContact O-CB 3.31Å; F484-R488 WeakPolarHBondContact O-CB 3.42Å; F484-R488 PolarHBondContact O-N 3.44Å; I486-R488 PolarHBondContact O-N 3.18Å; R488-L492 VanDerWaalsContact O-CB 3.29Å; R488-L492 WeakPolarHBondContact O-CB 3.27Å; R488-L492 PolarHBondContact O-N 3.08Å
489	K	79.4	Confident	76.2	Confident	124 Å²	124	93.8 Å²	93.8	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-64.4	-46.4	174.5	-173.1	-173.4	175.8	-170.4	0	111.4	L485 I486 Y487 L492 E493	L485-K489 VanDerWaalsContact O-CB 3.28Å; L485-K489 WeakPolarHBondContact O-CB 3.31Å; L485-K489 PolarHBondContact O-N 2.9Å; I486-K489 WeakPolarHBondContact O-CB 3.47Å; I486-K489 PolarHBondContact O-N 2.83Å; Y487-K489 VanDerWaalsContact C-N 3.32Å; Y487-K489 PolarHBondContact O-N 3.46Å; K489-L492 PolarHBondContact O-N 3.38Å; K489-E493 WeakPolarHBondContact O-CG 3.45Å; K489-E493 PolarHBondContact O-N 3.05Å
490	L	77.8	Confident	75.8	Confident	103 Å²	103	92.7 Å²	92.7	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-64.5	-41.1	178.2	-72.3	172.2	0	0	0	111.9	I486 Y487 E493 K494	I486-L490 HydrophobicContact CG2-CD1 3.79Å; I486-L490 HydrophobicContact CG2-CG 4.23Å; I486-L490 WeakPolarHBondContact O-CB 3.47Å; I486-L490 VanDerWaalsContact O-CG 3.27Å; I486-L490 WeakPolarHBondContact O-CG 3.38Å; I486-L490 PolarHBondContact O-N 3.07Å; Y487-L490 PolarHBondContact O-N 3.02Å; L490-E493 PolarHBondContact O-N 3.08Å; L490-K494 WeakPolarHBondContact O-CB 3.39Å; L490-K494 PolarHBondContact O-N 3.32Å
491	K	77.8	Confident	75.9	Confident	106 Å²	106	91.2 Å²	91.2	46%	0.461	46%	0.458	S	S	.	.	H	α-helix	trans	-63.2	-43.8	174.8	-174.5	175.7	179.4	-179.3	0	111.2	Y487 K494 E495	Y487-K491 HydrophobicContact CE1-CD 4.48Å; Y487-K491 VanDerWaalsContact O-CB 3.32Å; Y487-K491 WeakPolarHBondContact O-CB 3.43Å; Y487-K491 PolarHBondContact O-N 3.21Å; K491-K494 PolarHBondContact O-N 3.21Å; K491-E495 WeakPolarHBondContact O-CG 3.49Å; K491-E495 PolarHBondContact O-N 2.91Å
492	L	71.1	Confident	76	Confident	62 Å²	62	92.1 Å²	92.1	33%	0.325	46%	0.455	S	S	.	.	H	α-helix	trans	-63.8	-40.4	176.5	-166.6	74.4	0	0	0	111.8	R488 K489 E495 L496 M575	R488-L492 VanDerWaalsContact O-CB 3.29Å; R488-L492 WeakPolarHBondContact O-CB 3.27Å; R488-L492 PolarHBondContact O-N 3.08Å; K489-L492 PolarHBondContact O-N 3.38Å; L492-E495 PolarHBondContact O-N 2.91Å; L492-L496 HydrophobicContact CG-CD1 4.21Å; L492-L496 WeakPolarHBondContact O-CB 3.24Å; L492-L496 WeakPolarHBondContact O-CD1 3.13Å; L492-L496 WeakPolarHBondContact O-CG 3.38Å; L492-L496 PolarHBondContact O-N 2.98Å; L492-M575 HydrophobicContact CD2-CE 4.03Å
493	E	71.5	Confident	76.3	Confident	78 Å²	78	90.3 Å²	90.3	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-67.6	-38.3	175.4	-75.3	-172.8	179.4	0	0	112.2	K489 L490 L496 A497 R571	K489-E493 WeakPolarHBondContact O-CG 3.45Å; K489-E493 PolarHBondContact O-N 3.05Å; L490-E493 PolarHBondContact O-N 3.08Å; E493-L496 PolarHBondContact O-N 3.38Å; E493-A497 VanDerWaalsContact O-CB 3.28Å; E493-A497 WeakPolarHBondContact O-CB 3.49Å; E493-A497 PolarHBondContact O-N 2.84Å; E493-R571 IonicContact OE1-NH1 2.86Å
494	K	74.1	Confident	76.3	Confident	170 Å²	170	93 Å²	93	74%	0.739	44%	0.442	S	S	*	.	H	α-helix	trans	-62.4	-42	172.7	-169.9	178.8	-178.8	180	0	111.9	L490 K491 A497 G498	L490-K494 WeakPolarHBondContact O-CB 3.39Å; L490-K494 PolarHBondContact O-N 3.32Å; K491-K494 PolarHBondContact O-N 3.21Å; K494-A497 PolarHBondContact O-N 2.71Å; K494-G498 PolarHBondContact O-N 2.85Å; K494-G498 VanDerWaalsContact O-N 3.17Å
495	E	67.6	Low	76.3	Confident	90 Å²	90	90.5 Å²	90.5	42%	0.421	43%	0.429	S	S	.	.	H	α-helix	trans	-68.3	-40.2	176.4	-75.2	176.2	-169.2	0	0	112.8	K491 L492 A497 G498 K578	K491-E495 WeakPolarHBondContact O-CG 3.49Å; K491-E495 PolarHBondContact O-N 2.91Å; L492-E495 PolarHBondContact O-N 2.91Å; E495-A497 VanDerWaalsContact C-N 3.34Å; E495-G498 PolarHBondContact O-N 2.81Å; E495-K578 IonicContact OE2-NZ 3.81Å; E495-K578 PolarHBondContact OE2-NZ 3.25Å
496	L	63.8	Low	76.2	Confident	23 Å²	23	92.9 Å²	92.9	12%	0.12	44%	0.437	C	S	.	.	H	α-helix	trans	-65.1	-37.6	174.5	-79.2	160	0	0	0	111.7	L492 E493 G498 L574 M575 K578	L492-L496 HydrophobicContact CG-CD1 4.21Å; L492-L496 WeakPolarHBondContact O-CB 3.24Å; L492-L496 WeakPolarHBondContact O-CD1 3.13Å; L492-L496 WeakPolarHBondContact O-CG 3.38Å; L492-L496 PolarHBondContact O-N 2.98Å; E493-L496 PolarHBondContact O-N 3.38Å; L496-G498 VanDerWaalsContact C-N 3.27Å; L496-G498 PolarHBondContact O-N 2.94Å; L496-L574 HydrophobicContact CD2-CB 4.06Å; L496-M575 HydrophobicContact CD1-CE 4.12Å; L496-M575 HydrophobicContact CD1-SD 3.99Å; L496-M575 HydrophobicContact CD2-CG 4.39Å; L496-M575 HydrophobicContact CD2-SD 4Å; L496-K578 HydrophobicContact CD2-CD 4.43Å
497	A	61.9	Low	76.2	Confident	73 Å²	73	91 Å²	91	60%	0.603	43%	0.429	S	S	*	.	H	α-helix	trans	-69	-23.5	176.1	0	0	0	0	0	113.2	E493 K494 E495 M499	E493-A497 VanDerWaalsContact O-CB 3.28Å; E493-A497 WeakPolarHBondContact O-CB 3.49Å; E493-A497 PolarHBondContact O-N 2.84Å; K494-A497 PolarHBondContact O-N 2.71Å; E495-A497 VanDerWaalsContact C-N 3.34Å; A497-M499 PolarHBondContact O-N 3.28Å; A497-M499 VanDerWaalsContact O-N 3.16Å
498	G	65.6	Low	76.2	Confident	42 Å²	42	84.6 Å²	84.6	43%	0.433	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.5	-178.2	0	0	0	0	0	115.7	K494 E495 L496 L500	K494-G498 PolarHBondContact O-N 2.85Å; K494-G498 VanDerWaalsContact O-N 3.17Å; E495-G498 PolarHBondContact O-N 2.81Å; L496-G498 VanDerWaalsContact C-N 3.27Å; L496-G498 PolarHBondContact O-N 2.94Å; G498-L500 PolarHBondContact O-N 3.47Å
499	M	72.4	Confident	76.1	Confident	75 Å²	75	83.2 Å²	83.2	37%	0.369	41%	0.405	S	S	.	.			trans	42.1	31.4	175.9	-63.7	-169.8	-175.1	0	0	115.6	A497 W501 R502	A497-M499 PolarHBondContact O-N 3.28Å; A497-M499 VanDerWaalsContact O-N 3.16Å; M499-W501 PolarHBondContact O-N 2.82Å; M499-R502 HydrophobicContact CB-CB 4.36Å; M499-R502 VanDerWaalsContact O-CB 3.26Å; M499-R502 WeakPolarHBondContact O-CB 3.11Å; M499-R502 PolarHBondContact O-N 3.06Å
500	L	74.9	Confident	76	Confident	127 Å²	127	81.5 Å²	81.5	67%	0.665	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-3.3	-171.8	-68.4	168.3	0	0	0	114.2	G498 R581	G498-L500 PolarHBondContact O-N 3.47Å; L500-R581 PolarHBondContact O-NH1 2.77Å
501	W	81.4	Confident	75.2	Confident	9 Å²	9	83.6 Å²	83.6	3%	0.034	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-13.7	170.8	54.3	-99	0	0	0	112.8	M499 L569 L574 L577 F591 G593 A594 I596	M499-W501 PolarHBondContact O-N 2.82Å; W501-L569 HydrophobicContact CH2-CD1 4.14Å; W501-L569 HydrophobicContact CH2-CD2 3.82Å; W501-L569 HydrophobicContact CZ2-CD1 4.43Å; W501-L569 HydrophobicContact CZ2-CD2 4.2Å; W501-L574 HydrophobicContact CZ2-CD2 3.53Å; W501-L577 HydrophobicContact CD2-CB 4.36Å; W501-L577 HydrophobicContact CD2-CD1 4Å; W501-L577 HydrophobicContact CE3-CD1 4.03Å; W501-L577 HydrophobicContact CE3-CD2 4.46Å; W501-L577 HydrophobicContact CG-CB 4.29Å; W501-L577 HydrophobicContact CH2-CD1 3.91Å; W501-L577 HydrophobicContact CZ2-CD1 3.86Å; W501-L577 HydrophobicContact CZ3-CD1 4Å; W501-F591 HydrophobicContact CB-CE1 4.23Å; W501-G593 CarbonylContact O-C 3.59Å; W501-G593 WeakPolarHBondContact O-CA 3.06Å; W501-A594 HydrophobicContact CE3-CB 4.27Å; W501-A594 HydrophobicContact CZ3-CB 4.38Å; W501-A594 PolarHBondContact O-N 3.25Å; W501-I596 HydrophobicContact CH2-CD1 4.09Å; W501-I596 HydrophobicContact CH2-CG2 4.46Å; W501-I596 HydrophobicContact CZ3-CD1 4.49Å; W501-I596 HydrophobicContact CZ3-CG2 4.15Å
502	R	84.9	Confident	73.6	Confident	113 Å²	113	82.3 Å²	82.3	43%	0.426	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-77	127	-175.5	-175	177.5	179.5	-178.5	-0.3	109.8	M499 D597	M499-R502 HydrophobicContact CB-CB 4.36Å; M499-R502 VanDerWaalsContact O-CB 3.26Å; M499-R502 WeakPolarHBondContact O-CB 3.11Å; M499-R502 PolarHBondContact O-N 3.06Å; R502-D597 IonicContact CZ-OD1 3.13Å; R502-D597 IonicContact NE-OD1 2.75Å; R502-D597 IonicContact NH2-OD1 3.41Å; R502-D597 PolarHBondContact NH2-OD1 2.95Å
503	I	85.7	Confident	72.3	Confident	6 Å²	6	84.4 Å²	84.4	3%	0.031	43%	0.426	C	S	.	.			trans	-113.1	129.4	174.2	-65	172.4	0	0	0	107.6	D507 L508 F552 I592 A594 C595 I604	I503-D507 HydrophobicContact CG2-CB 4.47Å; I503-L508 HydrophobicContact CG2-CD2 4.31Å; I503-L508 HydrophobicContact CG2-CG 4.16Å; I503-F552 HydrophobicContact CB-CE2 4.39Å; I503-F552 HydrophobicContact CD1-CD1 4.31Å; I503-F552 HydrophobicContact CD1-CD2 4.45Å; I503-F552 HydrophobicContact CD1-CE1 3.98Å; I503-F552 HydrophobicContact CD1-CE2 4.14Å; I503-F552 HydrophobicContact CD1-CZ 3.88Å; I503-F552 HydrophobicContact CG1-CE1 4.4Å; I503-F552 HydrophobicContact CG1-CE2 4.02Å; I503-F552 HydrophobicContact CG1-CZ 3.83Å; I503-F552 HydrophobicContact CG2-CD2 3.9Å; I503-F552 HydrophobicContact CG2-CE2 3.57Å; I503-F552 HydrophobicContact CG2-CZ 4.27Å; I503-I592 HydrophobicContact CD1-CG2 4.06Å; I503-A594 PolarHBondContact N-O 3.38Å; I503-C595 WeakPolarHBondContact O-CA 3.3Å; I503-C595 WeakPolarHBondContact O-CB 3.2Å; I503-C595 PolarHBondContact O-SG 3.47Å; I503-C595 VanDerWaalsContact O-SG 3.37Å; I503-I604 HydrophobicContact CB-CD1 3.81Å; I503-I604 HydrophobicContact CD1-CB 4.33Å; I503-I604 HydrophobicContact CD1-CD1 3.53Å; I503-I604 HydrophobicContact CD1-CG2 4.47Å; I503-I604 HydrophobicContact CG1-CD1 4.22Å; I503-I604 HydrophobicContact CG2-CD1 3.86Å
504	R	82.9	Confident	70.6	Confident	121 Å²	121	87.3 Å²	87.3	46%	0.457	44%	0.444	S	S	.	.			trans	-78	144.1	174	-60.6	178.2	-65.3	172	5	108.8	E506 D507	R504-E506 PolarHBondContact O-N 2.77Å; R504-E506 VanDerWaalsContact O-N 3.16Å; R504-D507 WeakPolarHBondContact CB-OD2 3.18Å; R504-D507 IonicContact CZ-OD1 3.8Å; R504-D507 IonicContact CZ-OD2 2.7Å; R504-D507 IonicContact NE-OD1 3.95Å; R504-D507 IonicContact NE-OD2 3.62Å; R504-D507 PolarHBondContact NE-OD2 3.42Å; R504-D507 IonicContact NH2-OD1 3.87Å; R504-D507 PolarHBondContact NH2-OD1 2.87Å; R504-D507 IonicContact NH2-OD2 2.65Å; R504-D507 PolarHBondContact O-N 3.46Å
505	W	82	Confident	69	Low	70 Å²	70	87.9 Å²	87.9	27%	0.265	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-56.6	-32.5	178.5	-176	-102.3	0	0	0	112.9	D507 L508 F510 H561 D597 N600	W505-D507 VanDerWaalsContact C-N 3.26Å; W505-D507 PolarHBondContact O-N 2.68Å; W505-L508 HydrophobicContact CE3-CD1 3.98Å; W505-L508 HydrophobicContact CZ3-CD1 4.18Å; W505-L508 PolarHBondContact O-N 3.3Å; W505-F510 HydrophobicContact CD2-CE2 4.41Å; W505-F510 AromaticContact CE2-CE2 3.81Å; W505-F510 HydrophobicContact CE3-CZ 4.39Å; W505-F510 HydrophobicContact CH2-CE1 4.1Å; W505-F510 AromaticContact CH2-CE2 3.68Å; W505-F510 HydrophobicContact CH2-CE2 3.68Å; W505-F510 AromaticContact CH2-CZ 3.23Å; W505-F510 HydrophobicContact CH2-CZ 3.23Å; W505-F510 HydrophobicContact CZ2-CD2 4.37Å; W505-F510 AromaticContact CZ2-CE2 3.43Å; W505-F510 HydrophobicContact CZ2-CE2 3.43Å; W505-F510 VanDerWaalsContact CZ2-CE2 3.43Å; W505-F510 AromaticContact CZ2-CZ 3.53Å; W505-F510 HydrophobicContact CZ2-CZ 3.53Å; W505-F510 HydrophobicContact CZ3-CE2 4.26Å; W505-F510 AromaticContact CZ3-CZ 3.72Å; W505-F510 HydrophobicContact CZ3-CZ 3.72Å; W505-H561 AromaticContact CH2-CE1 3.64Å; W505-H561 AromaticContact CZ3-CE1 3.94Å; W505-D597 PolarHBondContact N-OD2 2.98Å; W505-N600 HydrophobicContact CD2-CB 3.55Å; W505-N600 HydrophobicContact CE3-CB 3.45Å; W505-N600 VanDerWaalsContact CE3-CB 3.45Å; W505-N600 HydrophobicContact CG-CB 4.15Å; W505-N600 HydrophobicContact CH2-CB 4.11Å; W505-N600 HydrophobicContact CZ2-CB 4.21Å; W505-N600 HydrophobicContact CZ3-CB 3.74Å; W505-N600 PolarHBondContact NE1-ND2 3.38Å
506	E	80	Confident	67.7	Low	147 Å²	147	91 Å²	91	69%	0.687	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-60.6	-32.2	177.5	-45.6	168.2	-119.4	0	0	113.3	R504 L508	R504-E506 PolarHBondContact O-N 2.77Å; R504-E506 VanDerWaalsContact O-N 3.16Å; E506-L508 PolarHBondContact O-N 3.38Å
507	D	83.1	Confident	66.3	Low	60 Å²	60	97.9 Å²	97.9	32%	0.321	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-79.2	-7.5	-176.2	-57.1	-40	0	0	0	111.6	I503 R504 W505 F552	I503-D507 HydrophobicContact CG2-CB 4.47Å; R504-D507 WeakPolarHBondContact CB-OD2 3.18Å; R504-D507 IonicContact CZ-OD1 3.8Å; R504-D507 IonicContact CZ-OD2 2.7Å; R504-D507 IonicContact NE-OD1 3.95Å; R504-D507 IonicContact NE-OD2 3.62Å; R504-D507 PolarHBondContact NE-OD2 3.42Å; R504-D507 IonicContact NH2-OD1 3.87Å; R504-D507 PolarHBondContact NH2-OD1 2.87Å; R504-D507 IonicContact NH2-OD2 2.65Å; R504-D507 PolarHBondContact O-N 3.46Å; W505-D507 VanDerWaalsContact C-N 3.26Å; W505-D507 PolarHBondContact O-N 2.68Å; D507-F552 HydrophobicContact CB-CD2 4.18Å; D507-F552 HydrophobicContact CB-CE2 3.86Å
508	L	81.1	Confident	65	Low	9 Å²	9	104.3 Å²	104.3	5%	0.047	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.9	176.5	-65.7	171.4	0	0	0	110.5	I503 W505 E506 F510 F552 V557 I559 I604	I503-L508 HydrophobicContact CG2-CD2 4.31Å; I503-L508 HydrophobicContact CG2-CG 4.16Å; W505-L508 HydrophobicContact CE3-CD1 3.98Å; W505-L508 HydrophobicContact CZ3-CD1 4.18Å; W505-L508 PolarHBondContact O-N 3.3Å; E506-L508 PolarHBondContact O-N 3.38Å; L508-F510 HydrophobicContact CB-CE2 3.72Å; L508-F510 HydrophobicContact CB-CZ 3.86Å; L508-F510 HydrophobicContact CD1-CZ 4.19Å; L508-F552 HydrophobicContact CD2-CB 4.04Å; L508-F552 HydrophobicContact CD2-CD2 4.2Å; L508-F552 HydrophobicContact CD2-CG 4.47Å; L508-V557 HydrophobicContact CD2-CG2 4.4Å; L508-I559 HydrophobicContact CD1-CD1 4.34Å; L508-I559 HydrophobicContact CD2-CD1 4.27Å; L508-I604 HydrophobicContact CD1-CD1 3.97Å; L508-I604 HydrophobicContact CD1-CG1 4.5Å; L508-I604 HydrophobicContact CD2-CD1 4.15Å
509	Q	79.5	Confident	63.5	Low	139 Å²	139	113.6 Å²	113.6	65%	0.65	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.5	175.7	-61.6	177.2	4.6	0	0	109.9	G550 Y551	Q509-G550 WeakPolarHBondContact O-CA 3.45Å; Q509-Y551 PolarHBondContact N-O 2.93Å; Q509-Y551 PolarHBondContact O-N 3.22Å
510	F	76.8	Confident	61.6	Low	88 Å²	88	114.8 Å²	114.8	39%	0.386	55%	0.545	S	S	.	.			trans	-110	133.8	177.5	-58.1	-87.5	0	0	0	109.8	W505 L508 S512 I559	W505-F510 HydrophobicContact CD2-CE2 4.41Å; W505-F510 AromaticContact CE2-CE2 3.81Å; W505-F510 HydrophobicContact CE3-CZ 4.39Å; W505-F510 HydrophobicContact CH2-CE1 4.1Å; W505-F510 AromaticContact CH2-CE2 3.68Å; W505-F510 HydrophobicContact CH2-CE2 3.68Å; W505-F510 AromaticContact CH2-CZ 3.23Å; W505-F510 HydrophobicContact CH2-CZ 3.23Å; W505-F510 HydrophobicContact CZ2-CD2 4.37Å; W505-F510 AromaticContact CZ2-CE2 3.43Å; W505-F510 HydrophobicContact CZ2-CE2 3.43Å; W505-F510 VanDerWaalsContact CZ2-CE2 3.43Å; W505-F510 AromaticContact CZ2-CZ 3.53Å; W505-F510 HydrophobicContact CZ2-CZ 3.53Å; W505-F510 HydrophobicContact CZ3-CE2 4.26Å; W505-F510 AromaticContact CZ3-CZ 3.72Å; W505-F510 HydrophobicContact CZ3-CZ 3.72Å; L508-F510 HydrophobicContact CB-CE2 3.72Å; L508-F510 HydrophobicContact CB-CZ 3.86Å; L508-F510 HydrophobicContact CD1-CZ 4.19Å; F510-S512 PolarHBondContact O-N 3.06Å; F510-I559 HydrophobicContact CD1-CD1 4.3Å; F510-I559 HydrophobicContact CE1-CD1 3.39Å; F510-I559 HydrophobicContact CZ-CD1 3.86Å
511	E	60.5	Low	59.6	Low	147 Å²	147	112 Å²	112	69%	0.687	55%	0.547	S	S	*	.			trans	-68.8	126.1	171.7	-72.2	-171.5	153.1	0	0	110.1	Y551	E511-Y551 HydrophobicContact CG-CE2 4.48Å
512	S	44.5	Very low	57.8	Low	79 Å²	79	117 Å²	117	55%	0.552	58%	0.583	S	S	*	*			trans	-69.8	131.4	-176.9	88.8	0	0	0	0	111.3	F510 N514	F510-S512 PolarHBondContact O-N 3.06Å; S512-N514 PolarHBondContact O-N 3.2Å
513	P	44.7	Very low	55.4	Low	107 Å²	107	123.6 Å²	123.6	70%	0.695	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-72.8	-10.4	178.4	25.8	-31.1	0	0	0	114.2	K515	P513-K515 PolarHBondContact O-N 2.74Å
514	N	36	Very low	52.9	Low	138 Å²	138	131.8 Å²	131.8	74%	0.738	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-84.5	1.4	-168.8	-97	-7.5	0	0	0	116.5	S512	S512-N514 PolarHBondContact O-N 3.2Å
515	K	40	Very low	50.7	Low	182 Å²	182	131.7 Å²	131.7	79%	0.791	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-86.8	-6	177.2	-96.6	-178	176.9	177.7	0	115.2	P513	P513-K515 PolarHBondContact O-N 2.74Å
516	Y	39.9	Very low	48.2	Very low	157 Å²	157	136.6 Å²	136.6	62%	0.616	69%	0.694	S	S	*	*	S	Bend	trans	-120.9	-2.6	-167.5	-78.1	-82.4	0	0	0	117.1	K518 A539	Y516-K518 PolarHBondContact O-N 3.08Å; Y516-A539 HydrophobicContact CD1-CB 3.87Å; Y516-A539 HydrophobicContact CE1-CB 3.49Å; Y516-A539 VanDerWaalsContact CE1-CB 3.49Å
517	H	34.3	Very low	46	Very low	167 Å²	167	134.9 Å²	134.9	77%	0.773	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	4.7	-177.5	-86.7	-61.3	0	0	0	116.5
518	K	35.3	Very low	43.5	Very low	207 Å²	207	141.6 Å²	141.6	90%	0.9	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-2.7	179.2	-84.7	-171.8	176.8	-179.3	0	116.3	Y516	Y516-K518 PolarHBondContact O-N 3.08Å
519	R	34.7	Very low	41.3	Very low	238 Å²	238	152.7 Å²	152.7	90%	0.898	77%	0.77	S	S	*	*	S	Bend	trans	-149.5	74.3	-178.9	-72.1	-173.8	-179.9	169.8	-0.8	113
520	A	32.2	Very low	39.2	Very low	99 Å²	99	150 Å²	150	82%	0.818	78%	0.78	S	S	*	*			trans	-174.4	83.7	150	0	0	0	0	0	107.9
521	G	31.6	Very low	37.1	Very low	69 Å²	69	149.5 Å²	149.5	71%	0.711	79%	0.786	S	S	*	*			trans	-66.7	140.8	162.6	0	0	0	0	0	110
522	S	44.5	Very low	36	Very low	115 Å²	115	147.3 Å²	147.3	80%	0.804	79%	0.787	S	S	*	*	S	Bend	trans	61	96.9	152.1	40.3	0	0	0	0	118.5
523	R	34.1	Very low	35.8	Very low	251 Å²	251	149 Å²	149	95%	0.947	78%	0.783	S	S	*	*			trans	-178.3	53	133.4	-101	176.6	118	115.8	1.5	112.6
524	L	33.6	Very low	35.4	Very low	178 Å²	178	147.5 Å²	147.5	93%	0.932	79%	0.786	S	S	*	*			trans	-100	91.5	172	-108.9	149.6	0	0	0	109.2
525	T	36.5	Very low	35.5	Very low	119 Å²	119	144.4 Å²	144.4	73%	0.73	78%	0.775	S	S	*	*			trans	-149.2	124.2	164.5	42.1	0	0	0	0	109.7
526	L	29.8	Very low	35.4	Very low	172 Å²	172	142 Å²	142	90%	0.901	77%	0.771	S	S	*	*			trans	69.4	118.1	177.3	-69.7	82.8	0	0	0	114.2
527	S	32.4	Very low	35.4	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	78%	0.776	S	S	*	*			cis	-143.3	114.4	42.9	51.3	0	0	0	0	112.5	R529	S527-R529 PolarHBondContact O-N 2.91Å
528	Q	32.6	Very low	35.7	Very low	200 Å²	200	135.5 Å²	135.5	94%	0.935	75%	0.752	S	S	*	*			trans	-80.8	96	153.6	-83.3	-178.9	-29.4	0	0	107.4
529	R	34.5	Very low	35.8	Very low	243 Å²	243	129 Å²	129	92%	0.917	74%	0.738	S	S	*	*	S	Bend	trans	-165.7	110.2	158	-109.5	168.8	-176.1	179	0.6	109.3	S527	S527-R529 PolarHBondContact O-N 2.91Å
530	G	33.9	Very low	35.8	Very low	83 Å²	83	125.2 Å²	125.2	86%	0.856	73%	0.73	S	S	*	*	S	Bend	trans	119	-44.6	149.8	0	0	0	0	0	118.8
531	S	33.5	Very low	36	Very low	76 Å²	76	123.8 Å²	123.8	53%	0.531	73%	0.725	S	S	.	*			trans	-96.4	128.8	-174.7	167.8	0	0	0	0	112.2	Y533	S531-Y533 PolarHBondContact O-N 2.79Å; S531-Y533 PolarHBondContact OG-N 3.38Å; S531-Y533 PolarHBondContact OG-O 3.32Å; S531-Y533 VanDerWaalsContact OG-O 3.07Å
532	S	37.5	Very low	36.4	Very low	101 Å²	101	128.7 Å²	128.7	71%	0.706	73%	0.726	S	S	*	*	S	Bend	trans	-73.9	7.3	170.6	-53.5	0	0	0	0	113.5
533	Y	40.7	Very low	36.4	Very low	115 Å²	115	131.1 Å²	131.1	45%	0.451	72%	0.719	S	S	.	*	S	Bend	trans	-126.6	100.8	179.5	-71.9	-85.8	0	0	0	109.6	S531	S531-Y533 PolarHBondContact O-N 2.79Å; S531-Y533 PolarHBondContact OG-N 3.38Å; S531-Y533 PolarHBondContact OG-O 3.32Å; S531-Y533 VanDerWaalsContact OG-O 3.07Å
534	G	34.8	Very low	37.5	Very low	75 Å²	75	123.7 Å²	123.7	77%	0.773	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-68.2	128.5	172.9	0	0	0	0	0	110.9
535	S	38	Very low	38.4	Very low	73 Å²	73	117.1 Å²	117.1	51%	0.51	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-72.7	125	175.8	51.3	0	0	0	0	110.6
536	L	39.9	Very low	39.5	Very low	133 Å²	133	114 Å²	114	70%	0.696	64%	0.637	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102	120.1	168.3	-73.8	169.3	0	0	0	108.3	L545	L536-L545 PolarHBondContact O-N 2.99Å
537	I	39.8	Very low	41.2	Very low	139 Å²	139	107.6 Å²	107.6	71%	0.713	61%	0.609	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.1	124	173.5	-61.7	173.7	0	0	0	107.9
538	T	39.1	Very low	43.2	Very low	47 Å²	47	108.3 Å²	108.3	29%	0.288	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-70.4	141.8	172	51.2	0	0	0	0	110.6	H540 G541 Y543 L545	T538-H540 PolarHBondContact O-N 3.39Å; T538-G541 PolarHBondContact O-N 2.64Å; T538-Y543 PolarHBondContact OG1-O 3.35Å; T538-L545 HydrophobicContact CG2-CD1 4.05Å
539	A	37.6	Very low	45.4	Very low	72 Å²	72	100.4 Å²	100.4	60%	0.595	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-3.6	-174.6	0	0	0	0	0	115.5	Y516	Y516-A539 HydrophobicContact CD1-CB 3.87Å; Y516-A539 HydrophobicContact CE1-CB 3.49Å; Y516-A539 VanDerWaalsContact CE1-CB 3.49Å
540	H	35	Very low	47.6	Very low	158 Å²	158	88.9 Å²	88.9	73%	0.731	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	7.6	177.2	-84.2	53.8	0	0	0	114.2	T538 K542	T538-H540 PolarHBondContact O-N 3.39Å; H540-K542 PolarHBondContact O-N 3.13Å
541	G	36.1	Very low	49.8	Very low	69 Å²	69	89.1 Å²	89.1	71%	0.711	50%	0.496	S	S	*	.	S	Bend	trans	62.4	11.7	169.4	0	0	0	0	0	116	T538	T538-G541 PolarHBondContact O-N 2.64Å
542	K	40.7	Very low	52.1	Low	171 Å²	171	86.9 Å²	86.9	74%	0.743	48%	0.477	S	S	*	.	S	Bend	trans	-107.9	-19.7	-175.7	-82.4	-173.6	174.4	-178.2	0	115.4	H540	H540-K542 PolarHBondContact O-N 3.13Å
543	Y	45.4	Very low	54.1	Low	167 Å²	167	90.5 Å²	90.5	66%	0.655	48%	0.48	S	S	*	.			trans	-141.7	122.1	-176.9	-59.5	-79.3	0	0	0	112.4	T538	T538-Y543 PolarHBondContact OG1-O 3.35Å
544	Q	55.8	Low	55.5	Low	95 Å²	95	88 Å²	88	44%	0.444	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.8	167.3	-175.9	170.7	-6.4	0	0	107.9	F546	Q544-F546 HydrophobicContact CB-CE1 4.42Å; Q544-F546 HydrophobicContact CB-CE2 4.01Å; Q544-F546 HydrophobicContact CB-CZ 3.81Å; Q544-F546 HydrophobicContact CG-CD1 4.35Å; Q544-F546 HydrophobicContact CG-CE1 3.79Å; Q544-F546 HydrophobicContact CG-CE2 4.2Å; Q544-F546 HydrophobicContact CG-CZ 3.7Å; Q544-F546 VanDerWaalsContact O-CD2 3.26Å; Q544-F546 WeakPolarHBondContact O-CD2 3.46Å; Q544-F546 VanDerWaalsContact O-CE2 3.24Å; Q544-F546 WeakPolarHBondContact O-CE2 3.5Å
545	L	53.3	Low	57.5	Low	40 Å²	40	89.9 Å²	89.9	21%	0.209	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.9	176.1	-71	165.4	0	0	0	108.9	L536 T538 T549	L536-L545 PolarHBondContact O-N 2.99Å; T538-L545 HydrophobicContact CG2-CD1 4.05Å; L545-T549 HydrophobicContact CD2-CG2 4.05Å
546	F	58.8	Low	59.4	Low	54 Å²	54	89.5 Å²	89.5	24%	0.237	47%	0.473	C	S	.	.			trans	-97.5	-9.9	-175.3	-62.1	-81.5	0	0	0	113.3	Q544 Y607 P609 D615	Q544-F546 HydrophobicContact CB-CE1 4.42Å; Q544-F546 HydrophobicContact CB-CE2 4.01Å; Q544-F546 HydrophobicContact CB-CZ 3.81Å; Q544-F546 HydrophobicContact CG-CD1 4.35Å; Q544-F546 HydrophobicContact CG-CE1 3.79Å; Q544-F546 HydrophobicContact CG-CE2 4.2Å; Q544-F546 HydrophobicContact CG-CZ 3.7Å; Q544-F546 VanDerWaalsContact O-CD2 3.26Å; Q544-F546 WeakPolarHBondContact O-CD2 3.46Å; Q544-F546 VanDerWaalsContact O-CE2 3.24Å; Q544-F546 WeakPolarHBondContact O-CE2 3.5Å; F546-Y607 PolarHBondContact N-OH 3.47Å; F546-P609 WeakPolarHBondContact CE2-O 3.07Å; F546-D615 HydrophobicContact CD1-CB 4.38Å; F546-D615 HydrophobicContact CE1-CB 4.38Å
547	A	65.8	Low	61.6	Low	36 Å²	36	83.2 Å²	83.2	30%	0.298	44%	0.44	S	S	.	.	S	Bend	trans	-145.5	166.1	178.1	0	0	0	0	0	111.3	T549 Y607	A547-T549 PolarHBondContact O-N 2.78Å; A547-Y607 HydrophobicContact CB-CE2 4.26Å
548	K	74.6	Confident	63.8	Low	127 Å²	127	77.3 Å²	77.3	55%	0.552	41%	0.412	S	S	*	.			trans	-65.3	119.5	168.4	-73.1	-175.5	178.4	-176.9	0	108.9	I559	K548-I559 PolarHBondContact O-N 2.82Å
549	T	78.9	Confident	66	Low	34 Å²	34	75.4 Å²	75.4	21%	0.209	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	158.4	-178.3	52.9	0	0	0	0	111.9	L545 A547 L556 V557 Y607	L545-T549 HydrophobicContact CD2-CG2 4.05Å; A547-T549 PolarHBondContact O-N 2.78Å; T549-L556 HydrophobicContact CG2-CD1 4.26Å; T549-V557 VanDerWaalsContact CA-O 3.28Å; T549-V557 WeakPolarHBondContact CA-O 3.43Å; T549-Y607 HydrophobicContact CG2-CD1 4.47Å; T549-Y607 HydrophobicContact CG2-CD2 3.47Å; T549-Y607 VanDerWaalsContact CG2-CD2 3.47Å; T549-Y607 HydrophobicContact CG2-CE1 4.45Å; T549-Y607 HydrophobicContact CG2-CE2 3.46Å; T549-Y607 VanDerWaalsContact CG2-CE2 3.46Å; T549-Y607 HydrophobicContact CG2-CG 4Å
550	G	81.4	Confident	68.2	Low	2 Å²	2	74.9 Å²	74.9	2%	0.021	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	174.2	167	0	0	0	0	0	110.1	Q509 V557	Q509-G550 WeakPolarHBondContact O-CA 3.45Å; G550-V557 PolarHBondContact N-O 2.95Å; G550-V557 VanDerWaalsContact N-O 3.08Å; G550-V557 VanDerWaalsContact O-CG2 3.28Å; G550-V557 WeakPolarHBondContact O-CG2 3.36Å; G550-V557 PolarHBondContact O-N 2.91Å
551	Y	79.7	Confident	70.4	Confident	87 Å²	87	71.1 Å²	71.1	34%	0.341	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127	174.7	-71.5	-89.7	0	0	0	110.1	Q509 E511 N555 L556	Q509-Y551 PolarHBondContact N-O 2.93Å; Q509-Y551 PolarHBondContact O-N 3.22Å; E511-Y551 HydrophobicContact CG-CE2 4.48Å; Y551-N555 WeakPolarHBondContact CA-O 3.47Å; Y551-L556 HydrophobicContact CE1-CB 4.24Å; Y551-L556 HydrophobicContact CE1-CD1 4.18Å; Y551-L556 HydrophobicContact CE2-CD1 4.13Å
552	F	81.4	Confident	72.5	Confident	29 Å²	29	68.8 Å²	68.8	13%	0.127	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.4	172.1	-179.1	-112.3	0	0	0	108.8	I503 D507 L508 G554 N555 V557 I592	I503-F552 HydrophobicContact CB-CE2 4.39Å; I503-F552 HydrophobicContact CD1-CD1 4.31Å; I503-F552 HydrophobicContact CD1-CD2 4.45Å; I503-F552 HydrophobicContact CD1-CE1 3.98Å; I503-F552 HydrophobicContact CD1-CE2 4.14Å; I503-F552 HydrophobicContact CD1-CZ 3.88Å; I503-F552 HydrophobicContact CG1-CE1 4.4Å; I503-F552 HydrophobicContact CG1-CE2 4.02Å; I503-F552 HydrophobicContact CG1-CZ 3.83Å; I503-F552 HydrophobicContact CG2-CD2 3.9Å; I503-F552 HydrophobicContact CG2-CE2 3.57Å; I503-F552 HydrophobicContact CG2-CZ 4.27Å; D507-F552 HydrophobicContact CB-CD2 4.18Å; D507-F552 HydrophobicContact CB-CE2 3.86Å; L508-F552 HydrophobicContact CD2-CB 4.04Å; L508-F552 HydrophobicContact CD2-CD2 4.2Å; L508-F552 HydrophobicContact CD2-CG 4.47Å; F552-G554 PolarHBondContact O-N 2.84Å; F552-N555 PolarHBondContact N-O 2.84Å; F552-N555 PolarHBondContact O-N 3.32Å; F552-V557 HydrophobicContact CB-CG1 4.08Å; F552-V557 HydrophobicContact CB-CG2 4.07Å; F552-I592 HydrophobicContact CD1-CG2 3.93Å; F552-I592 HydrophobicContact CE1-CG2 4.09Å
553	K	79.8	Confident	74	Confident	178 Å²	178	66.9 Å²	66.9	77%	0.774	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	38.8	-175.7	-59.5	-176.6	175.6	-176.3	0	113.7	N555	K553-N555 VanDerWaalsContact C-N 3.31Å; K553-N555 PolarHBondContact O-N 3.49Å
554	G	69.1	Low	75.3	Confident	62 Å²	62	61.4 Å²	61.4	64%	0.639	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-9.3	-179.4	0	0	0	0	0	115.6	F552	F552-G554 PolarHBondContact O-N 2.84Å
555	N	77.1	Confident	76	Confident	115 Å²	115	66.6 Å²	66.6	62%	0.615	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.2	178	-66.2	-39	0	0	0	111.8	Y551 F552 K553	Y551-N555 WeakPolarHBondContact CA-O 3.47Å; F552-N555 PolarHBondContact N-O 2.84Å; F552-N555 PolarHBondContact O-N 3.32Å; K553-N555 VanDerWaalsContact C-N 3.31Å; K553-N555 PolarHBondContact O-N 3.49Å
556	L	79	Confident	76.8	Confident	64 Å²	64	74 Å²	74	34%	0.335	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.3	174.9	-172.7	67.5	0	0	0	110.2	T549 Y551 Y607	T549-L556 HydrophobicContact CG2-CD1 4.26Å; Y551-L556 HydrophobicContact CE1-CB 4.24Å; Y551-L556 HydrophobicContact CE1-CD1 4.18Å; Y551-L556 HydrophobicContact CE2-CD1 4.13Å; L556-Y607 HydrophobicContact CD2-CD1 3.48Å; L556-Y607 VanDerWaalsContact CD2-CD1 3.48Å; L556-Y607 HydrophobicContact CD2-CE1 3.88Å; L556-Y607 HydrophobicContact CD2-CG 4.22Å; L556-Y607 HydrophobicContact CG-CD1 4.06Å; L556-Y607 HydrophobicContact CG-CG 4.33Å
557	V	85.2	Confident	77.6	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.006	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	151.3	-175.8	-60.4	0	0	0	0	112	L508 T549 G550 F552 I559 I592 I604	L508-V557 HydrophobicContact CD2-CG2 4.4Å; T549-V557 VanDerWaalsContact CA-O 3.28Å; T549-V557 WeakPolarHBondContact CA-O 3.43Å; G550-V557 PolarHBondContact N-O 2.95Å; G550-V557 VanDerWaalsContact N-O 3.08Å; G550-V557 VanDerWaalsContact O-CG2 3.28Å; G550-V557 WeakPolarHBondContact O-CG2 3.36Å; G550-V557 PolarHBondContact O-N 2.91Å; F552-V557 HydrophobicContact CB-CG1 4.08Å; F552-V557 HydrophobicContact CB-CG2 4.07Å; V557-I559 HydrophobicContact CG2-CD1 4.43Å; V557-I559 HydrophobicContact CG2-CG1 4.19Å; V557-I592 HydrophobicContact CB-CD1 4.18Å; V557-I592 HydrophobicContact CG1-CD1 3.38Å; V557-I604 HydrophobicContact CB-CG2 3.72Å; V557-I604 HydrophobicContact CG1-CG2 4.22Å; V557-I604 HydrophobicContact CG2-CG2 3.65Å
558	A	86.2	Confident	78.1	Confident	15 Å²	15	78.1 Å²	78.1	12%	0.124	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.1	173.4	0	0	0	0	0	109.9	I604 T605 Y607	A558-I604 WeakPolarHBondContact O-CA 3.31Å; A558-T605 PolarHBondContact N-O 3.07Å; A558-T605 PolarHBondContact O-N 3.27Å; A558-T605 VanDerWaalsContact O-N 3.09Å; A558-Y607 HydrophobicContact CB-CD2 4.2Å
559	I	85.6	Confident	78.2	Confident	8 Å²	8	74.9 Å²	74.9	4%	0.041	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.3	-174.5	-58.6	174.6	0	0	0	109.6	L508 F510 K548 V557 C602	L508-I559 HydrophobicContact CD1-CD1 4.34Å; L508-I559 HydrophobicContact CD2-CD1 4.27Å; F510-I559 HydrophobicContact CD1-CD1 4.3Å; F510-I559 HydrophobicContact CE1-CD1 3.39Å; F510-I559 HydrophobicContact CZ-CD1 3.86Å; K548-I559 PolarHBondContact O-N 2.82Å; V557-I559 HydrophobicContact CG2-CD1 4.43Å; V557-I559 HydrophobicContact CG2-CG1 4.19Å; I559-C602 HydrophobicContact CG2-CB 3.8Å
560	K	83.8	Confident	78.3	Confident	60 Å²	60	76.5 Å²	76.5	26%	0.261	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	111.7	178	-170.4	175.6	-172.6	178.1	0	110.8	C602 I603 D671 R678	K560-C602 CarbonylContact O-C 3.48Å; K560-C602 WeakPolarHBondContact O-CA 3.46Å; K560-C602 WeakPolarHBondContact O-CB 3.47Å; K560-I603 HydrophobicContact CB-CB 4.48Å; K560-I603 PolarHBondContact N-O 3.38Å; K560-I603 PolarHBondContact O-N 2.9Å; K560-D671 IonicContact NZ-OD1 2.67Å; K560-D671 PolarHBondContact NZ-OD1 3.23Å; K560-D671 IonicContact NZ-OD2 2.62Å; K560-D671 PolarHBondContact NZ-OD2 3.42Å; K560-R678 VanDerWaalsContact NZ-NH1 3.14Å
561	H	81.3	Confident	78.2	Confident	79 Å²	79	83.2 Å²	83.2	37%	0.366	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.7	176.9	-73	-90.9	0	0	0	111.8	W505	W505-H561 AromaticContact CH2-CE1 3.64Å; W505-H561 AromaticContact CZ3-CE1 3.94Å
562	V	80.6	Confident	78.1	Confident	21 Å²	21	85.5 Å²	85.5	13%	0.127	41%	0.414	C	S	.	.			trans	-106.9	120.9	176.3	177.6	0	0	0	0	108.7	K564 I567 I601 I603 F677	V562-K564 VanDerWaalsContact C-N 3.26Å; V562-K564 HydrophobicContact CG1-CB 4.19Å; V562-K564 HydrophobicContact CG1-CD 4.37Å; V562-K564 HydrophobicContact CG1-CG 3.99Å; V562-K564 PolarHBondContact O-N 3.5Å; V562-I567 HydrophobicContact CG1-CD1 4.32Å; V562-I601 HydrophobicContact CB-CB 4.4Å; V562-I601 HydrophobicContact CB-CG2 3.93Å; V562-I601 HydrophobicContact CG1-CG2 4.46Å; V562-I601 HydrophobicContact CG2-CG2 4.45Å; V562-I601 PolarHBondContact N-O 3.39Å; V562-I603 HydrophobicContact CG2-CD1 3.95Å; V562-I603 HydrophobicContact CG2-CG1 4.09Å; V562-F677 WeakPolarHBondContact CG1-O 3.42Å
563	N	72.2	Confident	78	Confident	130 Å²	130	84.6 Å²	84.6	70%	0.695	41%	0.411	S	S	*	.			trans	-80.7	69.6	179.6	-162.7	11.3	0	0	0	111.3	E682	N563-E682 PolarHBondContact ND2-OE1 2.97Å
564	K	72.4	Confident	78	Confident	52 Å²	52	77.5 Å²	77.5	23%	0.226	38%	0.381	C	S	.	.			trans	-134.6	139.9	174.2	-70.5	-166.5	178.2	-168.6	0	110.9	V562 I567 I601 S676 S679	V562-K564 VanDerWaalsContact C-N 3.26Å; V562-K564 HydrophobicContact CG1-CB 4.19Å; V562-K564 HydrophobicContact CG1-CD 4.37Å; V562-K564 HydrophobicContact CG1-CG 3.99Å; V562-K564 PolarHBondContact O-N 3.5Å; K564-I567 HydrophobicContact CB-CG1 4.34Å; K564-I567 HydrophobicContact CD-CG1 4.4Å; K564-I601 WeakPolarHBondContact O-CD1 3.38Å; K564-S676 PolarHBondContact NZ-O 3.31Å; K564-S679 WeakPolarHBondContact CE-O 3.45Å; K564-S679 PolarHBondContact NZ-O 3.46Å; K564-S679 VanDerWaalsContact NZ-O 3.11Å; K564-S679 PolarHBondContact NZ-OG 2.8Å
565	K	69.6	Low	78.5	Confident	204 Å²	204	76.3 Å²	76.3	89%	0.887	36%	0.36	S	S	*	.	S	Bend	trans	-68.9	-33.6	179.3	-65.7	-175.1	-179.9	-179.8	0	112.8
566	R	71.4	Confident	78.8	Confident	197 Å²	197	71.7 Å²	71.7	74%	0.743	33%	0.334	S	S	*	.			trans	-158.4	148.1	177.5	-169.7	176	-179.7	-170.8	-0.1	109.4
567	I	75.7	Confident	79.1	Confident	25 Å²	25	68.7 Å²	68.7	13%	0.128	32%	0.318	C	S	.	.			trans	-116	125.9	172.5	-61.9	-176.5	0	0	0	108.4	V562 K564 I601 F677	V562-I567 HydrophobicContact CG1-CD1 4.32Å; K564-I567 HydrophobicContact CB-CG1 4.34Å; K564-I567 HydrophobicContact CD-CG1 4.4Å; I567-I601 HydrophobicContact CD1-CD1 4.3Å; I567-I601 HydrophobicContact CD1-CG2 3.58Å; I567-I601 HydrophobicContact CG1-CD1 4.03Å; I567-I601 HydrophobicContact CG1-CG2 4.41Å; I567-F677 HydrophobicContact CD1-CD1 3.18Å; I567-F677 HydrophobicContact CD1-CE1 3.31Å; I567-F677 HydrophobicContact CD1-CG 3.91Å; I567-F677 HydrophobicContact CD1-CZ 4.15Å; I567-F677 HydrophobicContact CG2-CE1 4.13Å; I567-F677 HydrophobicContact CG2-CE2 4.27Å; I567-F677 HydrophobicContact CG2-CZ 3.93Å
568	E	74.9	Confident	79	Confident	151 Å²	151	69.9 Å²	69.9	71%	0.706	32%	0.324	S	S	*	.			trans	-84.1	119.1	173.1	-69	-175.6	175.2	0	0	109.7	T570	E568-T570 PolarHBondContact O-N 3.42Å
569	L	76.9	Confident	78.9	Confident	59 Å²	59	72.3 Å²	72.3	31%	0.309	33%	0.332	S	S	.	.			trans	-80.7	84.1	177.8	-67.1	171.4	0	0	0	109.8	W501 V573 L574 L577 I596	W501-L569 HydrophobicContact CH2-CD1 4.14Å; W501-L569 HydrophobicContact CH2-CD2 3.82Å; W501-L569 HydrophobicContact CZ2-CD1 4.43Å; W501-L569 HydrophobicContact CZ2-CD2 4.2Å; L569-V573 HydrophobicContact CD2-CG1 4.47Å; L569-L574 HydrophobicContact CB-CD2 4.48Å; L569-L574 HydrophobicContact CB-CG 4.49Å; L569-L574 HydrophobicContact CD2-CD2 4.25Å; L569-L577 HydrophobicContact CD2-CD1 4.4Å; L569-I596 HydrophobicContact CD1-CD1 3.79Å
570	T	81.4	Confident	78.8	Confident	68 Å²	68	72.2 Å²	72.2	42%	0.417	33%	0.332	S	S	.	.			trans	-75.5	159.4	169.8	67.2	0	0	0	0	110.7	E568 Q572 V573 L574	E568-T570 PolarHBondContact O-N 3.42Å; T570-Q572 PolarHBondContact O-N 3.23Å; T570-V573 PolarHBondContact O-N 3.46Å; T570-V573 WeakPolarHBondContact OG1-CG2 3.48Å; T570-L574 PolarHBondContact O-N 2.92Å
571	R	78.9	Confident	78.8	Confident	143 Å²	143	72.6 Å²	72.6	54%	0.54	33%	0.332	S	S	.	.	H	α-helix	trans	-54.4	-37.6	177.4	-179.2	179.5	170.4	113.2	-0.4	112.5	E493 L574 M575	E493-R571 IonicContact OE1-NH1 2.86Å; R571-L574 PolarHBondContact O-N 3.25Å; R571-M575 WeakPolarHBondContact O-CG 3.22Å; R571-M575 PolarHBondContact O-N 3.26Å
572	Q	76.9	Confident	78.9	Confident	134 Å²	134	73 Å²	73	63%	0.626	34%	0.336	S	S	*	.	H	α-helix	trans	-65	-40.3	178.9	-170.7	173.9	4.4	0	0	111.6	T570 M575 E576	T570-Q572 PolarHBondContact O-N 3.23Å; Q572-M575 PolarHBondContact O-N 3.16Å; Q572-E576 WeakPolarHBondContact O-CB 3.5Å; Q572-E576 PolarHBondContact O-N 3.31Å
573	V	79.3	Confident	79.1	Confident	10 Å²	10	72.7 Å²	72.7	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-69.5	-38.5	177.8	175.4	0	0	0	0	111.9	L569 T570 E576 L577 F677	L569-V573 HydrophobicContact CD2-CG1 4.47Å; T570-V573 PolarHBondContact O-N 3.46Å; T570-V573 WeakPolarHBondContact OG1-CG2 3.48Å; V573-E576 PolarHBondContact O-N 2.96Å; V573-L577 HydrophobicContact CG1-CD1 4.12Å; V573-L577 WeakPolarHBondContact O-CG 3.46Å; V573-L577 PolarHBondContact O-N 2.94Å; V573-F677 HydrophobicContact CG1-CD2 4.35Å; V573-F677 HydrophobicContact CG1-CE2 3.47Å; V573-F677 VanDerWaalsContact CG1-CE2 3.47Å; V573-F677 HydrophobicContact CG1-CZ 4.25Å
574	L	80.6	Confident	79.6	Confident	30 Å²	30	73.1 Å²	73.1	16%	0.157	33%	0.332	C	S	.	.	H	α-helix	trans	-65.4	-39.1	175.1	-71	171.9	0	0	0	112.4	L496 W501 L569 T570 R571 K578	L496-L574 HydrophobicContact CD2-CB 4.06Å; W501-L574 HydrophobicContact CZ2-CD2 3.53Å; L569-L574 HydrophobicContact CB-CD2 4.48Å; L569-L574 HydrophobicContact CB-CG 4.49Å; L569-L574 HydrophobicContact CD2-CD2 4.25Å; T570-L574 PolarHBondContact O-N 2.92Å; R571-L574 PolarHBondContact O-N 3.25Å; L574-K578 WeakPolarHBondContact O-CB 3.32Å; L574-K578 PolarHBondContact O-N 2.99Å
575	M	80	Confident	80.3	Confident	37 Å²	37	73.8 Å²	73.8	18%	0.182	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-43.4	172.8	-74.8	-70.6	-147.3	0	0	111.3	L492 L496 R571 Q572 K578 H579	L492-M575 HydrophobicContact CD2-CE 4.03Å; L496-M575 HydrophobicContact CD1-CE 4.12Å; L496-M575 HydrophobicContact CD1-SD 3.99Å; L496-M575 HydrophobicContact CD2-CG 4.39Å; L496-M575 HydrophobicContact CD2-SD 4Å; R571-M575 WeakPolarHBondContact O-CG 3.22Å; R571-M575 PolarHBondContact O-N 3.26Å; Q572-M575 PolarHBondContact O-N 3.16Å; M575-K578 PolarHBondContact O-N 3.33Å; M575-H579 PolarHBondContact O-CD2 3.28Å; M575-H579 PolarHBondContact O-N 3.14Å
576	E	83.6	Confident	81	Confident	18 Å²	18	69.3 Å²	69.3	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-45.1	177.5	-165	178.5	-168.8	0	0	112.1	Q572 V573 K578 H579 M580 F648 L674	Q572-E576 WeakPolarHBondContact O-CB 3.5Å; Q572-E576 PolarHBondContact O-N 3.31Å; V573-E576 PolarHBondContact O-N 2.96Å; E576-K578 PolarHBondContact O-N 3.41Å; E576-H579 PolarHBondContact O-N 3.44Å; E576-M580 WeakPolarHBondContact O-CG 3.33Å; E576-M580 PolarHBondContact O-N 3.18Å; E576-F648 HydrophobicContact CG-CE1 3.65Å; E576-F648 HydrophobicContact CG-CZ 4.26Å; E576-L674 HydrophobicContact CB-CD2 4.47Å; E576-L674 HydrophobicContact CG-CD2 4.09Å; E576-L674 VanDerWaalsContact OE1-CA 3.27Å; E576-L674 WeakPolarHBondContact OE1-CA 3.09Å; E576-L674 PolarHBondContact OE1-N 2.8Å
577	L	84.2	Confident	81.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-38.5	175.4	-75.8	164.2	0	0	0	112.6	W501 L569 V573 R581 F591 A594 L674 F677	W501-L577 HydrophobicContact CD2-CB 4.36Å; W501-L577 HydrophobicContact CD2-CD1 4Å; W501-L577 HydrophobicContact CE3-CD1 4.03Å; W501-L577 HydrophobicContact CE3-CD2 4.46Å; W501-L577 HydrophobicContact CG-CB 4.29Å; W501-L577 HydrophobicContact CH2-CD1 3.91Å; W501-L577 HydrophobicContact CZ2-CD1 3.86Å; W501-L577 HydrophobicContact CZ3-CD1 4Å; L569-L577 HydrophobicContact CD2-CD1 4.4Å; V573-L577 HydrophobicContact CG1-CD1 4.12Å; V573-L577 WeakPolarHBondContact O-CG 3.46Å; V573-L577 PolarHBondContact O-N 2.94Å; L577-R581 PolarHBondContact O-N 2.79Å; L577-F591 HydrophobicContact CD2-CE1 4.11Å; L577-F591 HydrophobicContact CD2-CZ 3.64Å; L577-A594 HydrophobicContact CD2-CB 4.49Å; L577-L674 HydrophobicContact CD2-CD1 3.93Å; L577-L674 HydrophobicContact CD2-CD2 3.59Å; L577-L674 HydrophobicContact CD2-CG 4.41Å; L577-L674 HydrophobicContact CG-CD2 3.79Å; L577-F677 HydrophobicContact CD1-CE2 4.21Å; L577-F677 HydrophobicContact CD1-CZ 4.11Å; L577-F677 HydrophobicContact CD2-CE2 4.46Å; L577-F677 HydrophobicContact CD2-CZ 4.49Å; L577-F677 HydrophobicContact CG-CE2 4.48Å
578	K	83.4	Confident	82.6	Confident	27 Å²	27	59.8 Å²	59.8	12%	0.117	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-52.5	174.1	-176.7	-179.5	-178.5	176.9	0	110.3	E495 L496 L574 M575 E576 M580 R581 D582	E495-K578 IonicContact OE2-NZ 3.81Å; E495-K578 PolarHBondContact OE2-NZ 3.25Å; L496-K578 HydrophobicContact CD2-CD 4.43Å; L574-K578 WeakPolarHBondContact O-CB 3.32Å; L574-K578 PolarHBondContact O-N 2.99Å; M575-K578 PolarHBondContact O-N 3.33Å; E576-K578 PolarHBondContact O-N 3.41Å; K578-M580 VanDerWaalsContact C-N 3.32Å; K578-M580 PolarHBondContact O-N 3.28Å; K578-R581 PolarHBondContact O-N 3.01Å; K578-R581 VanDerWaalsContact O-N 3.11Å; K578-D582 VanDerWaalsContact O-CG 3.27Å; K578-D582 PolarHBondContact O-N 3.12Å
579	H	84.7	Confident	83.4	Confident	66 Å²	66	52.8 Å²	52.8	31%	0.306	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-38.4	179.4	-77.1	-61.3	0	0	0	112.7	M575 E576 R581 D582 I583 Y647 F648	M575-H579 PolarHBondContact O-CD2 3.28Å; M575-H579 PolarHBondContact O-N 3.14Å; E576-H579 PolarHBondContact O-N 3.44Å; H579-R581 VanDerWaalsContact C-N 3.3Å; H579-R581 PolarHBondContact O-N 3.28Å; H579-D582 PolarHBondContact O-N 3.08Å; H579-I583 WeakPolarHBondContact O-CG1 3.03Å; H579-I583 PolarHBondContact O-N 2.96Å; H579-I583 VanDerWaalsContact O-N 3.13Å; H579-Y647 HydrophobicContact CB-CD1 4.18Å; H579-Y647 AromaticContact CD2-CD1 3.88Å; H579-Y647 AromaticContact CD2-CE1 3.95Å; H579-Y647 AromaticContact CD2-CG 3.95Å; H579-F648 HydrophobicContact CB-CE2 4.25Å; H579-F648 HydrophobicContact CB-CZ 4.18Å
580	M	83.8	Confident	84	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-36	175.3	-76.3	-134.5	-41.2	0	0	113.4	E576 K578 F591 F648 Y672 L674	E576-M580 WeakPolarHBondContact O-CG 3.33Å; E576-M580 PolarHBondContact O-N 3.18Å; K578-M580 VanDerWaalsContact C-N 3.32Å; K578-M580 PolarHBondContact O-N 3.28Å; M580-F591 HydrophobicContact CB-CB 4.2Å; M580-F591 HydrophobicContact CB-CD1 4.03Å; M580-F591 HydrophobicContact CB-CG 4.12Å; M580-F591 HydrophobicContact CE-CB 4.23Å; M580-F591 HydrophobicContact CE-CD1 4.35Å; M580-F591 HydrophobicContact CE-CD2 3.41Å; M580-F591 VanDerWaalsContact CE-CD2 3.41Å; M580-F591 HydrophobicContact CE-CE2 3.72Å; M580-F591 HydrophobicContact CE-CG 3.75Å; M580-F591 HydrophobicContact CE-CZ 4.32Å; M580-F648 HydrophobicContact CB-CZ 4.33Å; M580-F648 HydrophobicContact CG-CE1 3.8Å; M580-F648 HydrophobicContact CG-CE2 4.1Å; M580-F648 HydrophobicContact CG-CZ 3.27Å; M580-F648 HydrophobicContact SD-CE1 4.38Å; M580-F648 HydrophobicContact SD-CZ 4.31Å; M580-Y672 HydrophobicContact CG-CE2 4.41Å; M580-Y672 HydrophobicContact SD-CD2 4.09Å; M580-Y672 HydrophobicContact SD-CE2 3.96Å; M580-L674 HydrophobicContact CE-CD1 3.26Å; M580-L674 HydrophobicContact CE-CD2 4.27Å; M580-L674 HydrophobicContact CE-CG 3.43Å; M580-L674 VanDerWaalsContact CE-CG 3.43Å; M580-L674 HydrophobicContact SD-CD1 4.43Å; M580-L674 HydrophobicContact SD-CG 3.97Å
581	R	83.6	Confident	84.4	Confident	69 Å²	69	53.5 Å²	53.5	26%	0.26	24%	0.243	S	C	.	.	H	α-helix	trans	-74.9	-33.1	178.5	-171.2	175.8	63.1	142.2	3.4	112.8	L500 L577 K578 H579 I583 F591	L500-R581 PolarHBondContact O-NH1 2.77Å; L577-R581 PolarHBondContact O-N 2.79Å; K578-R581 PolarHBondContact O-N 3.01Å; K578-R581 VanDerWaalsContact O-N 3.11Å; H579-R581 VanDerWaalsContact C-N 3.3Å; H579-R581 PolarHBondContact O-N 3.28Å; R581-I583 VanDerWaalsContact C-N 3.32Å; R581-F591 HydrophobicContact CB-CD1 4.06Å
582	D	82.9	Confident	84.8	Confident	87 Å²	87	49.1 Å²	49.1	47%	0.465	23%	0.229	S	C	.	.	H	α-helix	trans	-78	-19.2	-179.2	-63.8	-12.4	0	0	0	111.9	K578 H579 Q584	K578-D582 VanDerWaalsContact O-CG 3.27Å; K578-D582 PolarHBondContact O-N 3.12Å; H579-D582 PolarHBondContact O-N 3.08Å; D582-Q584 PolarHBondContact O-N 3.08Å
583	I	84.4	Confident	85.4	Confident	15 Å²	15	42.8 Å²	42.8	8%	0.077	20%	0.199	C	C	.	.			trans	-68.1	120.8	173.1	-74.1	172.3	0	0	0	110.5	H579 R581 L588 Y642 F648 Y672	H579-I583 WeakPolarHBondContact O-CG1 3.03Å; H579-I583 PolarHBondContact O-N 2.96Å; H579-I583 VanDerWaalsContact O-N 3.13Å; R581-I583 VanDerWaalsContact C-N 3.32Å; I583-L588 HydrophobicContact CG2-CD1 3.87Å; I583-Y642 HydrophobicContact CG2-CE1 4.03Å; I583-F648 HydrophobicContact CD1-CD2 3.66Å; I583-F648 HydrophobicContact CD1-CE2 3.35Å; I583-Y672 HydrophobicContact CD1-CE2 4.25Å
584	Q	82.6	Confident	85.8	Confident	139 Å²	139	42.3 Å²	42.3	65%	0.65	20%	0.197	S	C	*	.			trans	-128.4	104.2	169.2	-62.9	-176.8	14.6	0	0	108.2	D582	D582-Q584 PolarHBondContact O-N 3.08Å
585	F	87.1	Confident	86.1	Confident	66 Å²	66	40.9 Å²	40.9	29%	0.289	19%	0.189	S	C	.	.			trans	-144.9	137.6	177.7	-171.6	-111.4	0	0	0	110.2	H587 L588 Y642	F585-H587 VanDerWaalsContact C-N 3.25Å; F585-H587 HydrophobicContact CD1-CB 4.06Å; F585-H587 HydrophobicContact CE1-CB 3.76Å; F585-H587 AromaticContact CE1-CD2 3.69Å; F585-H587 AromaticContact CZ-CD2 3.91Å; F585-H587 PolarHBondContact O-N 3.47Å; F585-L588 HydrophobicContact CB-CB 4.43Å; F585-L588 HydrophobicContact CB-CG 4.45Å; F585-L588 HydrophobicContact CD1-CG 4.15Å; F585-L588 PolarHBondContact O-N 3.28Å; F585-L588 VanDerWaalsContact O-N 3.13Å; F585-Y642 HydrophobicContact CB-CD1 4.06Å; F585-Y642 HydrophobicContact CB-CE1 3.89Å; F585-Y642 HydrophobicContact CB-CE2 4.48Å; F585-Y642 HydrophobicContact CB-CG 4.42Å; F585-Y642 HydrophobicContact CD1-CD1 4.03Å; F585-Y642 HydrophobicContact CD1-CD2 4.47Å; F585-Y642 AromaticContact CD1-CG 3.9Å; F585-Y642 HydrophobicContact CD1-CG 3.9Å; F585-Y642 AromaticContact CD2-CD2 3.8Å; F585-Y642 HydrophobicContact CD2-CD2 3.8Å; F585-Y642 HydrophobicContact CD2-CE2 4.04Å; F585-Y642 HydrophobicContact CD2-CG 4.05Å; F585-Y642 HydrophobicContact CE1-CG 4.1Å; F585-Y642 AromaticContact CE2-CD2 4Å; F585-Y642 HydrophobicContact CE2-CD2 4Å; F585-Y642 HydrophobicContact CE2-CG 4.28Å; F585-Y642 AromaticContact CG-CD1 3.95Å; F585-Y642 HydrophobicContact CG-CD1 3.95Å; F585-Y642 HydrophobicContact CG-CD2 4.06Å; F585-Y642 HydrophobicContact CG-CE1 4.23Å; F585-Y642 HydrophobicContact CG-CE2 4.32Å; F585-Y642 AromaticContact CG-CG 3.86Å; F585-Y642 HydrophobicContact CG-CG 3.86Å; F585-Y642 HydrophobicContact CZ-CD2 4.4Å; F585-Y642 HydrophobicContact CZ-CG 4.29Å
586	N	84	Confident	86.2	Confident	109 Å²	109	40.4 Å²	40.4	58%	0.583	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-30	-170.1	-69.3	-12.6	0	0	0	113.9	K668	N586-K668 VanDerWaalsContact O-CE 3.27Å; N586-K668 WeakPolarHBondContact O-CE 3.13Å; N586-K668 WeakPolarHBondContact O-CG 3.38Å
587	H	91	Very high	86.1	Confident	20 Å²	20	41.3 Å²	41.3	9%	0.093	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	14.5	-179.3	-52.7	-70.6	0	0	0	113.6	F585 D635 K638 L667 K668 I669	F585-H587 VanDerWaalsContact C-N 3.25Å; F585-H587 HydrophobicContact CD1-CB 4.06Å; F585-H587 HydrophobicContact CE1-CB 3.76Å; F585-H587 AromaticContact CE1-CD2 3.69Å; F585-H587 AromaticContact CZ-CD2 3.91Å; F585-H587 PolarHBondContact O-N 3.47Å; H587-D635 IonicContact CE1-OD1 2.8Å; H587-D635 PolarHBondContact CE1-OD1 2.67Å; H587-D635 IonicContact CE1-OD2 3.69Å; H587-D635 IonicContact ND1-OD1 3.2Å; H587-D635 IonicContact ND1-OD2 3.36Å; H587-D635 IonicContact NE2-OD1 2.73Å; H587-K638 VanDerWaalsContact NE2-CD 3.25Å; H587-K638 WeakPolarHBondContact NE2-CD 3.39Å; H587-L667 PolarHBondContact ND1-O 3.4Å; H587-K668 CarbonylContact O-C 3.49Å; H587-K668 WeakPolarHBondContact O-CA 3.46Å; H587-I669 PolarHBondContact O-N 2.83Å
588	L	91.4	Very high	85.7	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.016	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-121.6	142.3	169.6	-67.8	-174.2	0	0	0	109.2	I583 F585 R590 Y642 L643 I669 Y672	I583-L588 HydrophobicContact CG2-CD1 3.87Å; F585-L588 HydrophobicContact CB-CB 4.43Å; F585-L588 HydrophobicContact CB-CG 4.45Å; F585-L588 HydrophobicContact CD1-CG 4.15Å; F585-L588 PolarHBondContact O-N 3.28Å; F585-L588 VanDerWaalsContact O-N 3.13Å; L588-R590 PolarHBondContact O-N 2.9Å; L588-Y642 HydrophobicContact CD1-CD1 3.61Å; L588-Y642 HydrophobicContact CD1-CE1 3.87Å; L588-Y642 HydrophobicContact CG-CD1 4.43Å; L588-L643 HydrophobicContact CD1-CD1 4.26Å; L588-I669 WeakPolarHBondContact CA-O 3.5Å; L588-I669 HydrophobicContact CD2-CB 3.79Å; L588-I669 HydrophobicContact CD2-CG2 4.46Å; L588-Y672 HydrophobicContact CB-CE1 3.87Å; L588-Y672 HydrophobicContact CD1-CE1 4.34Å; L588-Y672 HydrophobicContact CD2-CD1 4.21Å; L588-Y672 HydrophobicContact CD2-CE1 4.24Å; L588-Y672 HydrophobicContact CG-CE1 4.37Å
589	T	90	Very high	85.2	Confident	4 Å²	4	50 Å²	50	3%	0.025	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-71.2	126.9	177.1	57.4	0	0	0	0	111.5	F591 E606 V660 K668 I669 T670 Y672	T589-F591 PolarHBondContact O-N 3Å; T589-E606 VanDerWaalsContact CA-OE1 3.25Å; T589-E606 WeakPolarHBondContact CA-OE1 3.42Å; T589-V660 HydrophobicContact CG2-CG2 3.44Å; T589-V660 VanDerWaalsContact CG2-CG2 3.44Å; T589-K668 HydrophobicContact CG2-CB 3.84Å; T589-I669 PolarHBondContact N-O 2.86Å; T589-T670 WeakPolarHBondContact OG1-CA 3.33Å; T589-T670 WeakPolarHBondContact OG1-CB 3.45Å; T589-T670 PolarHBondContact OG1-OG1 3.06Å; T589-Y672 PolarHBondContact O-OH 2.85Å; T589-Y672 VanDerWaalsContact O-OH 3.08Å
590	R	89.7	Confident	84.9	Confident	138 Å²	138	49.2 Å²	49.2	52%	0.521	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-62.2	123.8	177.1	-173.1	176.5	-178.7	167.3	2	111.4	L588 T605 E606	L588-R590 PolarHBondContact O-N 2.9Å; R590-T605 WeakPolarHBondContact O-CA 3.35Å; R590-E606 HydrophobicContact CB-CG 4.32Å; R590-E606 PolarHBondContact N-OE1 2.6Å; R590-E606 PolarHBondContact O-N 3.07Å; R590-E606 VanDerWaalsContact O-N 3.11Å
591	F	90.3	Very high	84.9	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	122.3	170.5	178.4	-106.3	0	0	0	110.1	W501 L577 M580 R581 T589 G593 A594 I603 T605 L674	W501-F591 HydrophobicContact CB-CE1 4.23Å; L577-F591 HydrophobicContact CD2-CE1 4.11Å; L577-F591 HydrophobicContact CD2-CZ 3.64Å; M580-F591 HydrophobicContact CB-CB 4.2Å; M580-F591 HydrophobicContact CB-CD1 4.03Å; M580-F591 HydrophobicContact CB-CG 4.12Å; M580-F591 HydrophobicContact CE-CB 4.23Å; M580-F591 HydrophobicContact CE-CD1 4.35Å; M580-F591 HydrophobicContact CE-CD2 3.41Å; M580-F591 VanDerWaalsContact CE-CD2 3.41Å; M580-F591 HydrophobicContact CE-CE2 3.72Å; M580-F591 HydrophobicContact CE-CG 3.75Å; M580-F591 HydrophobicContact CE-CZ 4.32Å; R581-F591 HydrophobicContact CB-CD1 4.06Å; T589-F591 PolarHBondContact O-N 3Å; F591-G593 VanDerWaalsContact CE2-O 3.23Å; F591-G593 WeakPolarHBondContact CE2-O 3.29Å; F591-G593 WeakPolarHBondContact CZ-O 3.2Å; F591-A594 HydrophobicContact CE2-CB 4.48Å; F591-A594 HydrophobicContact CZ-CB 4.09Å; F591-I603 HydrophobicContact CD2-CG2 4.35Å; F591-I603 HydrophobicContact CE2-CG2 4.04Å; F591-T605 HydrophobicContact CD2-CG2 4.5Å; F591-L674 HydrophobicContact CE2-CD1 4.26Å
592	I	87.8	Confident	85	Confident	51 Å²	51	45.9 Å²	45.9	26%	0.262	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-43.7	-178.7	-58.9	177	0	0	0	109.5	I503 F552 V557 I604	I503-I592 HydrophobicContact CD1-CG2 4.06Å; F552-I592 HydrophobicContact CD1-CG2 3.93Å; F552-I592 HydrophobicContact CE1-CG2 4.09Å; V557-I592 HydrophobicContact CB-CD1 4.18Å; V557-I592 HydrophobicContact CG1-CD1 3.38Å; I592-I604 HydrophobicContact CB-CG2 4.21Å; I592-I604 HydrophobicContact CG2-CG2 4.46Å; I592-I604 PolarHBondContact N-O 3.4Å
593	G	88.3	Confident	85.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.9	-173.9	177.5	0	0	0	0	0	113.4	W501 F591 I604	W501-G593 CarbonylContact O-C 3.59Å; W501-G593 WeakPolarHBondContact O-CA 3.06Å; F591-G593 VanDerWaalsContact CE2-O 3.23Å; F591-G593 WeakPolarHBondContact CE2-O 3.29Å; F591-G593 WeakPolarHBondContact CZ-O 3.2Å; G593-I604 PolarHBondContact N-O 2.99Å; G593-I604 WeakPolarHBondContact O-CB 3.44Å; G593-I604 PolarHBondContact O-N 3.37Å
594	A	87.9	Confident	85.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.3	175.4	0	0	0	0	0	110.9	W501 I503 L577 F591 C602	W501-A594 HydrophobicContact CE3-CB 4.27Å; W501-A594 HydrophobicContact CZ3-CB 4.38Å; W501-A594 PolarHBondContact O-N 3.25Å; I503-A594 PolarHBondContact N-O 3.38Å; L577-A594 HydrophobicContact CD2-CB 4.49Å; F591-A594 HydrophobicContact CE2-CB 4.48Å; F591-A594 HydrophobicContact CZ-CB 4.09Å; A594-C602 CarbonylContact C-O 3.12Å; A594-C602 WeakPolarHBondContact CA-O 3.48Å
595	C	86.6	Confident	85.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.9	166.9	-169	0	0	0	0	108.9	I503 I601 C602	I503-C595 WeakPolarHBondContact O-CA 3.3Å; I503-C595 WeakPolarHBondContact O-CB 3.2Å; I503-C595 PolarHBondContact O-SG 3.47Å; I503-C595 VanDerWaalsContact O-SG 3.37Å; C595-I601 WeakPolarHBondContact O-CA 3.25Å; C595-I601 WeakPolarHBondContact O-CG2 3.2Å; C595-C602 WeakPolarHBondContact CB-SG 3.35Å; C595-C602 PolarHBondContact N-O 3.48Å; C595-C602 PolarHBondContact O-N 3.28Å
596	I	83.3	Confident	85.8	Confident	27 Å²	27	34.6 Å²	34.6	14%	0.138	18%	0.183	C	C	.	.			trans	-117.3	8.9	-178.7	57.3	169.1	0	0	0	112.2	W501 L569 P598 F677	W501-I596 HydrophobicContact CH2-CD1 4.09Å; W501-I596 HydrophobicContact CH2-CG2 4.46Å; W501-I596 HydrophobicContact CZ3-CD1 4.49Å; W501-I596 HydrophobicContact CZ3-CG2 4.15Å; L569-I596 HydrophobicContact CD1-CD1 3.79Å; I596-P598 VanDerWaalsContact O-CD 3.24Å; I596-P598 WeakPolarHBondContact O-CD 3.48Å; I596-F677 HydrophobicContact CG2-CE1 4.24Å
597	D	80.6	Confident	85.9	Confident	38 Å²	38	31 Å²	31	20%	0.203	16%	0.162	C	C	.	.			trans	-79.2	112.2	-174	-57.1	-34.5	0	0	0	109.2	R502 W505 N600	R502-D597 IonicContact CZ-OD1 3.13Å; R502-D597 IonicContact NE-OD1 2.75Å; R502-D597 IonicContact NH2-OD1 3.41Å; R502-D597 PolarHBondContact NH2-OD1 2.95Å; W505-D597 PolarHBondContact N-OD2 2.98Å; D597-N600 CarbonylContact O-C 3.59Å; D597-N600 VanDerWaalsContact O-C 3.29Å; D597-N600 WeakPolarHBondContact O-CA 3.38Å; D597-N600 PolarHBondContact O-N 3.18Å
598	P	75.4	Confident	85.6	Confident	91 Å²	91	30.5 Å²	30.5	59%	0.591	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	138.9	179.7	-17.4	32.1	0	0	0	110.6	I596	I596-P598 VanDerWaalsContact O-CD 3.24Å; I596-P598 WeakPolarHBondContact O-CD 3.48Å
599	P	73.8	Confident	84.7	Confident	118 Å²	118	32.7 Å²	32.7	77%	0.766	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.2	1.3	5.3	35.6	-36.4	0	0	0	115.2	I601	P599-I601 PolarHBondContact O-N 3.27Å
600	N	78.1	Confident	84.1	Confident	50 Å²	50	38.3 Å²	38.3	27%	0.267	20%	0.196	S	C	.	.			trans	-98.2	63.9	-169.4	-62	-43.4	0	0	0	112.6	W505 D597 C602	W505-N600 HydrophobicContact CD2-CB 3.55Å; W505-N600 HydrophobicContact CE3-CB 3.45Å; W505-N600 VanDerWaalsContact CE3-CB 3.45Å; W505-N600 HydrophobicContact CG-CB 4.15Å; W505-N600 HydrophobicContact CH2-CB 4.11Å; W505-N600 HydrophobicContact CZ2-CB 4.21Å; W505-N600 HydrophobicContact CZ3-CB 3.74Å; W505-N600 PolarHBondContact NE1-ND2 3.38Å; D597-N600 CarbonylContact O-C 3.59Å; D597-N600 VanDerWaalsContact O-C 3.29Å; D597-N600 WeakPolarHBondContact O-CA 3.38Å; D597-N600 PolarHBondContact O-N 3.18Å; N600-C602 PolarHBondContact O-N 3.23Å
601	I	83.7	Confident	83.7	Confident	3 Å²	3	31.9 Å²	31.9	2%	0.015	17%	0.173	C	C	.	.			trans	-79.7	120.2	175.3	-52.3	-173.3	0	0	0	109.4	V562 K564 I567 C595 P599	V562-I601 HydrophobicContact CB-CB 4.4Å; V562-I601 HydrophobicContact CB-CG2 3.93Å; V562-I601 HydrophobicContact CG1-CG2 4.46Å; V562-I601 HydrophobicContact CG2-CG2 4.45Å; V562-I601 PolarHBondContact N-O 3.39Å; K564-I601 WeakPolarHBondContact O-CD1 3.38Å; I567-I601 HydrophobicContact CD1-CD1 4.3Å; I567-I601 HydrophobicContact CD1-CG2 3.58Å; I567-I601 HydrophobicContact CG1-CD1 4.03Å; I567-I601 HydrophobicContact CG1-CG2 4.41Å; C595-I601 WeakPolarHBondContact O-CA 3.25Å; C595-I601 WeakPolarHBondContact O-CG2 3.2Å; P599-I601 PolarHBondContact O-N 3.27Å
602	C	85.7	Confident	83.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.5	179.3	69.2	0	0	0	0	113.8	I559 K560 A594 C595 N600	I559-C602 HydrophobicContact CG2-CB 3.8Å; K560-C602 CarbonylContact O-C 3.48Å; K560-C602 WeakPolarHBondContact O-CA 3.46Å; K560-C602 WeakPolarHBondContact O-CB 3.47Å; A594-C602 CarbonylContact C-O 3.12Å; A594-C602 WeakPolarHBondContact CA-O 3.48Å; C595-C602 WeakPolarHBondContact CB-SG 3.35Å; C595-C602 PolarHBondContact N-O 3.48Å; C595-C602 PolarHBondContact O-N 3.28Å; N600-C602 PolarHBondContact O-N 3.23Å
603	I	88.1	Confident	83.6	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.8	172.9	-67.1	168.1	0	0	0	107.7	K560 V562 F591 T605 L674 F677	K560-I603 HydrophobicContact CB-CB 4.48Å; K560-I603 PolarHBondContact N-O 3.38Å; K560-I603 PolarHBondContact O-N 2.9Å; V562-I603 HydrophobicContact CG2-CD1 3.95Å; V562-I603 HydrophobicContact CG2-CG1 4.09Å; F591-I603 HydrophobicContact CD2-CG2 4.35Å; F591-I603 HydrophobicContact CE2-CG2 4.04Å; I603-T605 HydrophobicContact CG2-CG2 4.23Å; I603-L674 HydrophobicContact CD1-CD1 3.99Å; I603-L674 HydrophobicContact CG1-CD1 4.34Å; I603-F677 HydrophobicContact CD1-CB 4.06Å
604	I	89.1	Confident	83.4	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120	-174.6	-56.4	144.7	0	0	0	108.8	I503 L508 V557 A558 I592 G593	I503-I604 HydrophobicContact CB-CD1 3.81Å; I503-I604 HydrophobicContact CD1-CB 4.33Å; I503-I604 HydrophobicContact CD1-CD1 3.53Å; I503-I604 HydrophobicContact CD1-CG2 4.47Å; I503-I604 HydrophobicContact CG1-CD1 4.22Å; I503-I604 HydrophobicContact CG2-CD1 3.86Å; L508-I604 HydrophobicContact CD1-CD1 3.97Å; L508-I604 HydrophobicContact CD1-CG1 4.5Å; L508-I604 HydrophobicContact CD2-CD1 4.15Å; V557-I604 HydrophobicContact CB-CG2 3.72Å; V557-I604 HydrophobicContact CG1-CG2 4.22Å; V557-I604 HydrophobicContact CG2-CG2 3.65Å; A558-I604 WeakPolarHBondContact O-CA 3.31Å; I592-I604 HydrophobicContact CB-CG2 4.21Å; I592-I604 HydrophobicContact CG2-CG2 4.46Å; I592-I604 PolarHBondContact N-O 3.4Å; G593-I604 PolarHBondContact N-O 2.99Å; G593-I604 WeakPolarHBondContact O-CB 3.44Å; G593-I604 PolarHBondContact O-N 3.37Å
605	T	89.6	Confident	83.2	Confident	19 Å²	19	34.2 Å²	34.2	12%	0.117	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	168.6	178.7	57.8	0	0	0	0	110.2	A558 R590 F591 I603	A558-T605 PolarHBondContact N-O 3.07Å; A558-T605 PolarHBondContact O-N 3.27Å; A558-T605 VanDerWaalsContact O-N 3.09Å; R590-T605 WeakPolarHBondContact O-CA 3.35Å; F591-T605 HydrophobicContact CD2-CG2 4.5Å; I603-T605 HydrophobicContact CG2-CG2 4.23Å
606	E	88.3	Confident	83	Confident	48 Å²	48	34.5 Å²	34.5	22%	0.224	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	145.2	169.4	67.4	179	148.3	0	0	111.6	T589 R590 K668	T589-E606 VanDerWaalsContact CA-OE1 3.25Å; T589-E606 WeakPolarHBondContact CA-OE1 3.42Å; R590-E606 HydrophobicContact CB-CG 4.32Å; R590-E606 PolarHBondContact N-OE1 2.6Å; R590-E606 PolarHBondContact O-N 3.07Å; R590-E606 VanDerWaalsContact O-N 3.11Å; E606-K668 WeakPolarHBondContact OE1-CD 3.47Å; E606-K668 IonicContact OE1-NZ 3.72Å; E606-K668 PolarHBondContact OE1-NZ 3.25Å; E606-K668 IonicContact OE2-NZ 2.78Å; E606-K668 PolarHBondContact OE2-NZ 3.07Å
607	Y	85.3	Confident	83	Confident	34 Å²	34	33.8 Å²	33.8	13%	0.133	18%	0.183	C	C	.	.			trans	-91.7	127.9	177.1	178.6	-106.7	0	0	0	111.3	F546 A547 T549 L556 A558 P609	F546-Y607 PolarHBondContact N-OH 3.47Å; A547-Y607 HydrophobicContact CB-CE2 4.26Å; T549-Y607 HydrophobicContact CG2-CD1 4.47Å; T549-Y607 HydrophobicContact CG2-CD2 3.47Å; T549-Y607 VanDerWaalsContact CG2-CD2 3.47Å; T549-Y607 HydrophobicContact CG2-CE1 4.45Å; T549-Y607 HydrophobicContact CG2-CE2 3.46Å; T549-Y607 VanDerWaalsContact CG2-CE2 3.46Å; T549-Y607 HydrophobicContact CG2-CG 4Å; L556-Y607 HydrophobicContact CD2-CD1 3.48Å; L556-Y607 VanDerWaalsContact CD2-CD1 3.48Å; L556-Y607 HydrophobicContact CD2-CE1 3.88Å; L556-Y607 HydrophobicContact CD2-CG 4.22Å; L556-Y607 HydrophobicContact CG-CD1 4.06Å; L556-Y607 HydrophobicContact CG-CG 4.33Å; A558-Y607 HydrophobicContact CB-CD2 4.2Å; Y607-P609 HydrophobicContact CD1-CB 4.41Å; Y607-P609 HydrophobicContact CE1-CB 3.91Å
608	C	83.9	Confident	82.9	Confident	10 Å²	10	38 Å²	38	7%	0.068	20%	0.201	C	C	.	.			trans	-102	109.8	177.1	-70.2	0	0	0	0	109.7	R610 G611 V660 V661	C608-R610 VanDerWaalsContact C-N 3.32Å; C608-R610 PolarHBondContact O-N 3.4Å; C608-G611 PolarHBondContact O-N 2.91Å; C608-V660 HydrophobicContact CB-CB 3.83Å; C608-V660 HydrophobicContact CB-CG2 3.97Å; C608-V660 VanDerWaalsContact SG-CG2 3.54Å; C608-V661 WeakPolarHBondContact CB-O 3.42Å
609	P	73.3	Confident	83	Confident	48 Å²	48	36.7 Å²	36.7	31%	0.312	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-12.9	-166.9	29	-36.2	0	0	0	115.1	F546 Y607	F546-P609 WeakPolarHBondContact CE2-O 3.07Å; Y607-P609 HydrophobicContact CD1-CB 4.41Å; Y607-P609 HydrophobicContact CE1-CB 3.91Å
610	R	77	Confident	82.7	Confident	122 Å²	122	39.2 Å²	39.2	46%	0.46	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.6	179.3	-60.4	-66.5	-174.6	-177.9	-0.6	113.5	C608 V661 D662	C608-R610 VanDerWaalsContact C-N 3.32Å; C608-R610 PolarHBondContact O-N 3.4Å; R610-V661 HydrophobicContact CB-CB 3.97Å; R610-V661 HydrophobicContact CB-CG1 4Å; R610-V661 WeakPolarHBondContact CB-O 3.24Å; R610-V661 HydrophobicContact CG-CG1 4.35Å; R610-V661 PolarHBondContact N-O 2.84Å; R610-D662 WeakPolarHBondContact CG-O 3.35Å
611	G	81.6	Confident	82	Confident	4 Å²	4	41.6 Å²	41.6	4%	0.041	21%	0.212	C	C	.	.			trans	80.2	-163.3	-179.6	0	0	0	0	0	112.9	C608 V660 V661	C608-G611 PolarHBondContact O-N 2.91Å; G611-V660 WeakPolarHBondContact O-CA 3.43Å; G611-V661 PolarHBondContact O-N 3.33Å
612	S	87.4	Confident	81.3	Confident	11 Å²	11	43.9 Å²	43.9	8%	0.077	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-84.9	163.1	176.5	70.7	0	0	0	0	112.1	Q614 D615 I616 C659	S612-Q614 PolarHBondContact O-N 3.29Å; S612-D615 WeakPolarHBondContact CB-OD2 3.48Å; S612-D615 PolarHBondContact N-OD2 3.16Å; S612-D615 WeakPolarHBondContact O-CB 3.44Å; S612-D615 PolarHBondContact O-N 3.36Å; S612-D615 VanDerWaalsContact O-N 3.07Å; S612-D615 VanDerWaalsContact OG-CG 3.25Å; S612-D615 PolarHBondContact OG-N 3.22Å; S612-D615 PolarHBondContact OG-OD2 2.83Å; S612-I616 PolarHBondContact O-N 3.04Å; S612-I616 VanDerWaalsContact O-N 3.14Å; S612-C659 CarbonylContact C-O 3.51Å; S612-C659 VanDerWaalsContact CA-O 3.25Å; S612-C659 WeakPolarHBondContact CA-O 3.36Å
613	L	87.7	Confident	80.6	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-37.3	172.9	176.8	64.4	0	0	0	110.5	D615 I616 L617 L632 I636 S656 C659 L667 I722 I726	L613-D615 VanDerWaalsContact C-N 3.34Å; L613-D615 PolarHBondContact O-N 3.25Å; L613-I616 PolarHBondContact O-N 3.36Å; L613-L617 HydrophobicContact CD1-CD1 4.34Å; L613-L617 HydrophobicContact CD1-CG 4.21Å; L613-L617 HydrophobicContact CG-CD1 4Å; L613-L617 HydrophobicContact CG-CG 4.3Å; L613-L617 VanDerWaalsContact O-CG 3.27Å; L613-L617 WeakPolarHBondContact O-CG 3.4Å; L613-L617 PolarHBondContact O-N 3.46Å; L613-L632 HydrophobicContact CD1-CD1 3.89Å; L613-I636 HydrophobicContact CD2-CD1 4.1Å; L613-S656 WeakPolarHBondContact CB-O 3.43Å; L613-S656 PolarHBondContact N-O 2.83Å; L613-C659 HydrophobicContact CB-CB 3.87Å; L613-C659 HydrophobicContact CD2-CB 4.29Å; L613-C659 PolarHBondContact N-O 2.63Å; L613-L667 HydrophobicContact CB-CD1 4.48Å; L613-L667 HydrophobicContact CD1-CD1 4.41Å; L613-L667 HydrophobicContact CD2-CD1 4.23Å; L613-I722 HydrophobicContact CD2-CG2 3.78Å; L613-I726 HydrophobicContact CD2-CD1 3.98Å; L613-I726 HydrophobicContact CD2-CG1 4.12Å
614	Q	85.7	Confident	80	Confident	46 Å²	46	51 Å²	51	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-45.1	174.5	-170.5	178.5	-13.1	0	0	111.7	S612 I616 L617 E618	S612-Q614 PolarHBondContact O-N 3.29Å; Q614-I616 VanDerWaalsContact C-N 3.28Å; Q614-I616 PolarHBondContact O-N 3.4Å; Q614-L617 PolarHBondContact O-N 2.73Å; Q614-E618 HydrophobicContact CG-CG 4.5Å; Q614-E618 WeakPolarHBondContact CG-OE1 3.17Å; Q614-E618 PolarHBondContact NE2-OE1 3.21Å; Q614-E618 WeakPolarHBondContact O-CB 3.06Å; Q614-E618 WeakPolarHBondContact O-CG 3.33Å; Q614-E618 PolarHBondContact O-N 3.24Å
615	D	83.3	Confident	79.5	Confident	47 Å²	47	55.4 Å²	55.4	25%	0.251	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-34.6	177.8	-57.1	-58.1	0	0	0	112.1	F546 S612 L613 N619	F546-D615 HydrophobicContact CD1-CB 4.38Å; F546-D615 HydrophobicContact CE1-CB 4.38Å; S612-D615 WeakPolarHBondContact CB-OD2 3.48Å; S612-D615 PolarHBondContact N-OD2 3.16Å; S612-D615 WeakPolarHBondContact O-CB 3.44Å; S612-D615 PolarHBondContact O-N 3.36Å; S612-D615 VanDerWaalsContact O-N 3.07Å; S612-D615 VanDerWaalsContact OG-CG 3.25Å; S612-D615 PolarHBondContact OG-N 3.22Å; S612-D615 PolarHBondContact OG-OD2 2.83Å; L613-D615 VanDerWaalsContact C-N 3.34Å; L613-D615 PolarHBondContact O-N 3.25Å; D615-N619 WeakPolarHBondContact O-CB 3.33Å; D615-N619 PolarHBondContact O-N 2.75Å
616	I	82.1	Confident	79	Confident	5 Å²	5	57 Å²	57	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-71.7	-40.5	177.7	-67	169.9	0	0	0	111.2	S612 L613 Q614 N619 I622 L624 V661	S612-I616 PolarHBondContact O-N 3.04Å; S612-I616 VanDerWaalsContact O-N 3.14Å; L613-I616 PolarHBondContact O-N 3.36Å; Q614-I616 VanDerWaalsContact C-N 3.28Å; Q614-I616 PolarHBondContact O-N 3.4Å; I616-N619 PolarHBondContact O-N 2.9Å; I616-I622 HydrophobicContact CG2-CD1 4.08Å; I616-L624 HydrophobicContact CG2-CD1 4.46Å; I616-L624 HydrophobicContact CG2-CD2 3.97Å; I616-V661 HydrophobicContact CD1-CB 3.77Å; I616-V661 HydrophobicContact CD1-CG1 4.17Å; I616-V661 HydrophobicContact CD1-CG2 3.46Å; I616-V661 VanDerWaalsContact CD1-CG2 3.46Å
617	L	82.4	Confident	78.3	Confident	12 Å²	12	59.5 Å²	59.5	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-68.8	-42	179.2	-67.8	174.2	0	0	0	111.4	L613 Q614 N619 L624 E725 I726 R729	L613-L617 HydrophobicContact CD1-CD1 4.34Å; L613-L617 HydrophobicContact CD1-CG 4.21Å; L613-L617 HydrophobicContact CG-CD1 4Å; L613-L617 HydrophobicContact CG-CG 4.3Å; L613-L617 VanDerWaalsContact O-CG 3.27Å; L613-L617 WeakPolarHBondContact O-CG 3.4Å; L613-L617 PolarHBondContact O-N 3.46Å; Q614-L617 PolarHBondContact O-N 2.73Å; L617-N619 VanDerWaalsContact C-N 3.28Å; L617-N619 PolarHBondContact O-N 3.43Å; L617-L624 HydrophobicContact CD2-CD1 3.75Å; L617-E725 HydrophobicContact CD1-CB 3.88Å; L617-I726 HydrophobicContact CD1-CG1 4.37Å; L617-R729 HydrophobicContact CD2-CG 4.47Å; L617-R729 VanDerWaalsContact O-CG 3.27Å; L617-R729 WeakPolarHBondContact O-CG 3.43Å; L617-R729 PolarHBondContact O-NE 2.97Å
618	E	80.4	Confident	77.8	Confident	126 Å²	126	60.5 Å²	60.5	59%	0.589	31%	0.307	S	S	*	.	H	α-helix	trans	-68.5	-24.1	177.6	-71.2	177.6	-170.4	0	0	113	Q614 E620	Q614-E618 HydrophobicContact CG-CG 4.5Å; Q614-E618 WeakPolarHBondContact CG-OE1 3.17Å; Q614-E618 PolarHBondContact NE2-OE1 3.21Å; Q614-E618 WeakPolarHBondContact O-CB 3.06Å; Q614-E618 WeakPolarHBondContact O-CG 3.33Å; Q614-E618 PolarHBondContact O-N 3.24Å; E618-E620 PolarHBondContact O-N 3.18Å; E618-E620 VanDerWaalsContact O-N 3.17Å
619	N	75.8	Confident	77.8	Confident	65 Å²	65	62 Å²	62	35%	0.348	31%	0.311	S	S	.	.			trans	-83.1	93.2	-178.9	-175.8	-0.8	0	0	0	112.6	D615 I616 L617 S621 I622 R729	D615-N619 WeakPolarHBondContact O-CB 3.33Å; D615-N619 PolarHBondContact O-N 2.75Å; I616-N619 PolarHBondContact O-N 2.9Å; L617-N619 VanDerWaalsContact C-N 3.28Å; L617-N619 PolarHBondContact O-N 3.43Å; N619-S621 PolarHBondContact ND2-OG 2.81Å; N619-S621 PolarHBondContact O-N 2.97Å; N619-S621 WeakPolarHBondContact OD1-CB 3.25Å; N619-S621 PolarHBondContact OD1-N 3.36Å; N619-S621 VanDerWaalsContact OD1-N 3.09Å; N619-S621 PolarHBondContact OD1-OG 3.32Å; N619-I622 HydrophobicContact CB-CD1 4.2Å; N619-I622 HydrophobicContact CB-CG1 4.43Å; N619-I622 PolarHBondContact O-N 3.12Å; N619-I622 VanDerWaalsContact O-N 3.14Å; N619-R729 VanDerWaalsContact C-NH2 3.32Å; N619-R729 PolarHBondContact O-NH2 2.87Å
620	E	67.9	Low	78.3	Confident	171 Å²	171	61.6 Å²	61.6	80%	0.799	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-23.7	178.7	-66.8	-176.4	-179.8	0	0	115.2	E618 I622	E618-E620 PolarHBondContact O-N 3.18Å; E618-E620 VanDerWaalsContact O-N 3.17Å; E620-I622 PolarHBondContact O-N 3.45Å
621	S	63.1	Low	78.6	Confident	100 Å²	100	57.3 Å²	57.3	70%	0.699	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.1	-178.8	80.2	0	0	0	0	113.9	N619	N619-S621 PolarHBondContact ND2-OG 2.81Å; N619-S621 PolarHBondContact O-N 2.97Å; N619-S621 WeakPolarHBondContact OD1-CB 3.25Å; N619-S621 PolarHBondContact OD1-N 3.36Å; N619-S621 VanDerWaalsContact OD1-N 3.09Å; N619-S621 PolarHBondContact OD1-OG 3.32Å
622	I	69.1	Low	78.8	Confident	50 Å²	50	57.2 Å²	57.2	26%	0.256	29%	0.291	S	S	.	.	S	Bend	trans	-86.8	119.7	178.4	-57.2	175.3	0	0	0	108.3	I616 N619 E620 L624 R729	I616-I622 HydrophobicContact CG2-CD1 4.08Å; N619-I622 HydrophobicContact CB-CD1 4.2Å; N619-I622 HydrophobicContact CB-CG1 4.43Å; N619-I622 PolarHBondContact O-N 3.12Å; N619-I622 VanDerWaalsContact O-N 3.14Å; E620-I622 PolarHBondContact O-N 3.45Å; I622-L624 HydrophobicContact CG2-CD2 3.76Å; I622-L624 HydrophobicContact CG2-CG 4.21Å; I622-L624 PolarHBondContact O-N 3.36Å; I622-R729 PolarHBondContact O-NH1 2.93Å; I622-R729 PolarHBondContact O-NH2 2.75Å
623	N	71.3	Confident	78.9	Confident	149 Å²	149	56.7 Å²	56.7	80%	0.797	29%	0.288	S	S	*	.			trans	-83.1	106.1	174.5	-166.1	2.5	0	0	0	109.9	D625	N623-D625 PolarHBondContact O-N 2.7Å
624	L	75.1	Confident	78.9	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	30%	0.299	C	S	.	.			trans	-94.7	87.2	-178.8	-61.3	172.7	0	0	0	109.6	I616 L617 I622 F628 R629	I616-L624 HydrophobicContact CG2-CD1 4.46Å; I616-L624 HydrophobicContact CG2-CD2 3.97Å; L617-L624 HydrophobicContact CD2-CD1 3.75Å; I622-L624 HydrophobicContact CG2-CD2 3.76Å; I622-L624 HydrophobicContact CG2-CG 4.21Å; I622-L624 PolarHBondContact O-N 3.36Å; L624-F628 HydrophobicContact CD2-CD1 3.32Å; L624-F628 HydrophobicContact CD2-CE1 3.35Å; L624-R629 HydrophobicContact CB-CG 4.18Å; L624-R629 PolarHBondContact O-NE 2.85Å; L624-R629 PolarHBondContact O-NH2 3.02Å; L624-R629 VanDerWaalsContact O-NH2 3.14Å
625	D	78.7	Confident	79.1	Confident	93 Å²	93	57.3 Å²	57.3	50%	0.497	29%	0.293	S	S	.	.			trans	-72.2	158.6	172.3	-164.8	11.4	0	0	0	111.3	N623 M627 F628 R629	N623-D625 PolarHBondContact O-N 2.7Å; D625-M627 VanDerWaalsContact C-N 3.26Å; D625-M627 PolarHBondContact O-N 2.66Å; D625-F628 WeakPolarHBondContact O-CA 3.45Å; D625-F628 WeakPolarHBondContact O-CB 3.23Å; D625-F628 PolarHBondContact O-N 2.8Å; D625-R629 PolarHBondContact O-N 3.36Å
626	W	79.8	Confident	79.5	Confident	52 Å²	52	55.1 Å²	55.1	20%	0.197	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-34.2	-173	-104.6	117.8	0	0	0	113.2	F628 R629 Y630 I633 A727 C767 H768 L772	W626-F628 VanDerWaalsContact C-N 3.3Å; W626-F628 PolarHBondContact O-N 3.1Å; W626-R629 HydrophobicContact CE3-CB 3.76Å; W626-R629 HydrophobicContact CZ3-CB 3.79Å; W626-R629 PolarHBondContact O-N 2.76Å; W626-Y630 HydrophobicContact CB-CE2 4.47Å; W626-Y630 HydrophobicContact CD2-CE2 4.29Å; W626-Y630 AromaticContact CE3-CD1 3.98Å; W626-Y630 HydrophobicContact CE3-CD1 3.98Å; W626-Y630 AromaticContact CE3-CD2 3.88Å; W626-Y630 HydrophobicContact CE3-CD2 3.88Å; W626-Y630 AromaticContact CE3-CE1 3.87Å; W626-Y630 HydrophobicContact CE3-CE1 3.87Å; W626-Y630 AromaticContact CE3-CE2 3.7Å; W626-Y630 HydrophobicContact CE3-CE2 3.7Å; W626-Y630 HydrophobicContact CE3-CG 4.04Å; W626-Y630 AromaticContact CE3-CZ 3.73Å; W626-Y630 AromaticContact CZ3-CD1 3.97Å; W626-Y630 HydrophobicContact CZ3-CD1 3.97Å; W626-Y630 AromaticContact CZ3-CE1 3.81Å; W626-Y630 HydrophobicContact CZ3-CE1 3.81Å; W626-Y630 HydrophobicContact CZ3-CE2 4.47Å; W626-Y630 HydrophobicContact CZ3-CG 4.45Å; W626-Y630 WeakPolarHBondContact O-CB 3.39Å; W626-Y630 WeakPolarHBondContact O-CD2 3.49Å; W626-Y630 PolarHBondContact O-N 3.5Å; W626-I633 HydrophobicContact CZ3-CD1 4.2Å; W626-A727 HydrophobicContact CH2-CB 4.3Å; W626-A727 HydrophobicContact CZ2-CB 4.47Å; W626-C767 PolarHBondContact NE1-O 3.2Å; W626-H768 HydrophobicContact CH2-CB 4.25Å; W626-H768 HydrophobicContact CZ2-CB 3.5Å; W626-L772 HydrophobicContact CH2-CD2 3.2Å; W626-L772 HydrophobicContact CZ2-CD2 4.04Å; W626-L772 HydrophobicContact CZ3-CD2 3.8Å
627	M	74.1	Confident	80	Confident	101 Å²	101	54.9 Å²	54.9	50%	0.498	28%	0.279	S	S	.	.	H	α-helix	trans	-58	-43.3	172.3	-75.3	-177.8	-91	0	0	112.1	D625 S631	D625-M627 VanDerWaalsContact C-N 3.26Å; D625-M627 PolarHBondContact O-N 2.66Å; M627-S631 PolarHBondContact O-N 3.39Å; M627-S631 VanDerWaalsContact O-N 3.16Å
628	F	74.9	Confident	80.4	Confident	54 Å²	54	57.4 Å²	57.4	24%	0.237	29%	0.29	C	S	.	.	H	α-helix	trans	-72.3	-40.4	179.4	-171.9	-104.3	0	0	0	111.4	L624 D625 W626 Y630 S631 L632 F665	L624-F628 HydrophobicContact CD2-CD1 3.32Å; L624-F628 HydrophobicContact CD2-CE1 3.35Å; D625-F628 WeakPolarHBondContact O-CA 3.45Å; D625-F628 WeakPolarHBondContact O-CB 3.23Å; D625-F628 PolarHBondContact O-N 2.8Å; W626-F628 VanDerWaalsContact C-N 3.3Å; W626-F628 PolarHBondContact O-N 3.1Å; F628-Y630 PolarHBondContact O-N 3.4Å; F628-S631 WeakPolarHBondContact O-CB 3.4Å; F628-S631 PolarHBondContact O-N 2.88Å; F628-S631 VanDerWaalsContact O-N 3.16Å; F628-S631 PolarHBondContact O-OG 3.35Å; F628-L632 HydrophobicContact CD1-CD1 4.07Å; F628-L632 HydrophobicContact CE1-CD1 3.72Å; F628-L632 HydrophobicContact CE1-CG 4.24Å; F628-L632 HydrophobicContact CZ-CD1 4.39Å; F628-L632 HydrophobicContact CZ-CD2 4.41Å; F628-L632 PolarHBondContact O-N 3.27Å; F628-L632 VanDerWaalsContact O-N 3.16Å; F628-F665 HydrophobicContact CE2-CB 4Å; F628-F665 AromaticContact CE2-CD1 3.95Å; F628-F665 HydrophobicContact CE2-CD1 3.95Å; F628-F665 HydrophobicContact CE2-CG 4.09Å; F628-F665 HydrophobicContact CZ-CB 4.28Å; F628-F665 AromaticContact CZ-CD1 3.55Å; F628-F665 HydrophobicContact CZ-CD1 3.55Å; F628-F665 HydrophobicContact CZ-CE1 4.1Å; F628-F665 HydrophobicContact CZ-CG 4.15Å
629	R	83.8	Confident	80.9	Confident	42 Å²	42	51.4 Å²	51.4	16%	0.158	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-44.8	174	-64.9	-179.7	-167	-162.4	2.8	112.1	L624 D625 W626 S631 L632 I633 I726 A727	L624-R629 HydrophobicContact CB-CG 4.18Å; L624-R629 PolarHBondContact O-NE 2.85Å; L624-R629 PolarHBondContact O-NH2 3.02Å; L624-R629 VanDerWaalsContact O-NH2 3.14Å; D625-R629 PolarHBondContact O-N 3.36Å; W626-R629 HydrophobicContact CE3-CB 3.76Å; W626-R629 HydrophobicContact CZ3-CB 3.79Å; W626-R629 PolarHBondContact O-N 2.76Å; R629-S631 VanDerWaalsContact C-N 3.29Å; R629-S631 PolarHBondContact O-N 2.87Å; R629-L632 PolarHBondContact O-N 3.28Å; R629-I633 VanDerWaalsContact O-CG1 3.26Å; R629-I633 WeakPolarHBondContact O-CG1 3.48Å; R629-I633 PolarHBondContact O-N 3.33Å; R629-I726 HydrophobicContact CB-CG2 3.76Å; R629-I726 HydrophobicContact CG-CG2 3.93Å; R629-I726 PolarHBondContact NH1-O 3.14Å; R629-A727 PolarHBondContact NH1-O 3.35Å
630	Y	83.9	Confident	81.7	Confident	39 Å²	39	48.3 Å²	48.3	15%	0.153	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-33.8	176.4	-76.3	-45.5	0	0	0	113.1	W626 F628 I633 N634 P769 M797	W626-Y630 HydrophobicContact CB-CE2 4.47Å; W626-Y630 HydrophobicContact CD2-CE2 4.29Å; W626-Y630 AromaticContact CE3-CD1 3.98Å; W626-Y630 HydrophobicContact CE3-CD1 3.98Å; W626-Y630 AromaticContact CE3-CD2 3.88Å; W626-Y630 HydrophobicContact CE3-CD2 3.88Å; W626-Y630 AromaticContact CE3-CE1 3.87Å; W626-Y630 HydrophobicContact CE3-CE1 3.87Å; W626-Y630 AromaticContact CE3-CE2 3.7Å; W626-Y630 HydrophobicContact CE3-CE2 3.7Å; W626-Y630 HydrophobicContact CE3-CG 4.04Å; W626-Y630 AromaticContact CE3-CZ 3.73Å; W626-Y630 AromaticContact CZ3-CD1 3.97Å; W626-Y630 HydrophobicContact CZ3-CD1 3.97Å; W626-Y630 AromaticContact CZ3-CE1 3.81Å; W626-Y630 HydrophobicContact CZ3-CE1 3.81Å; W626-Y630 HydrophobicContact CZ3-CE2 4.47Å; W626-Y630 HydrophobicContact CZ3-CG 4.45Å; W626-Y630 WeakPolarHBondContact O-CB 3.39Å; W626-Y630 WeakPolarHBondContact O-CD2 3.49Å; W626-Y630 PolarHBondContact O-N 3.5Å; F628-Y630 PolarHBondContact O-N 3.4Å; Y630-I633 HydrophobicContact CD1-CD1 4.27Å; Y630-I633 PolarHBondContact O-N 2.63Å; Y630-N634 VanDerWaalsContact O-CB 3.28Å; Y630-N634 WeakPolarHBondContact O-CB 3.42Å; Y630-N634 PolarHBondContact O-N 2.87Å; Y630-P769 WeakPolarHBondContact OH-CG 3.36Å; Y630-M797 HydrophobicContact CD1-CE 3.29Å; Y630-M797 HydrophobicContact CD1-SD 4.37Å; Y630-M797 HydrophobicContact CE1-CE 4.05Å; Y630-M797 HydrophobicContact CG-CE 4.04Å
631	S	82.1	Confident	82.9	Confident	33 Å²	33	41.8 Å²	41.8	23%	0.231	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-46.4	174.1	78.9	0	0	0	0	111.8	M627 F628 R629 I633 N634 D635	M627-S631 PolarHBondContact O-N 3.39Å; M627-S631 VanDerWaalsContact O-N 3.16Å; F628-S631 WeakPolarHBondContact O-CB 3.4Å; F628-S631 PolarHBondContact O-N 2.88Å; F628-S631 VanDerWaalsContact O-N 3.16Å; F628-S631 PolarHBondContact O-OG 3.35Å; R629-S631 VanDerWaalsContact C-N 3.29Å; R629-S631 PolarHBondContact O-N 2.87Å; S631-I633 PolarHBondContact O-N 2.83Å; S631-N634 PolarHBondContact O-N 3.5Å; S631-D635 PolarHBondContact O-N 2.96Å
632	L	86.8	Confident	84.2	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-43.2	177.5	-63.7	173.6	0	0	0	111.6	L613 F628 R629 D635 I636 L667	L613-L632 HydrophobicContact CD1-CD1 3.89Å; F628-L632 HydrophobicContact CD1-CD1 4.07Å; F628-L632 HydrophobicContact CE1-CD1 3.72Å; F628-L632 HydrophobicContact CE1-CG 4.24Å; F628-L632 HydrophobicContact CZ-CD1 4.39Å; F628-L632 HydrophobicContact CZ-CD2 4.41Å; F628-L632 PolarHBondContact O-N 3.27Å; F628-L632 VanDerWaalsContact O-N 3.16Å; R629-L632 PolarHBondContact O-N 3.28Å; L632-D635 PolarHBondContact O-N 2.93Å; L632-I636 WeakPolarHBondContact O-CG1 3.35Å; L632-I636 PolarHBondContact O-N 3.42Å; L632-I636 VanDerWaalsContact O-N 3.11Å; L632-L667 HydrophobicContact CB-CD1 4.25Å; L632-L667 HydrophobicContact CD2-CB 4.13Å; L632-L667 HydrophobicContact CD2-CD1 4.1Å
633	I	89.2	Confident	85.2	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-46.5	176.9	-66.5	165.8	0	0	0	110.6	W626 R629 Y630 S631 D635 I636 V637 F719 L723 I726 M797	W626-I633 HydrophobicContact CZ3-CD1 4.2Å; R629-I633 VanDerWaalsContact O-CG1 3.26Å; R629-I633 WeakPolarHBondContact O-CG1 3.48Å; R629-I633 PolarHBondContact O-N 3.33Å; Y630-I633 HydrophobicContact CD1-CD1 4.27Å; Y630-I633 PolarHBondContact O-N 2.63Å; S631-I633 PolarHBondContact O-N 2.83Å; I633-D635 VanDerWaalsContact C-N 3.32Å; I633-D635 PolarHBondContact O-N 2.82Å; I633-I636 PolarHBondContact O-N 2.94Å; I633-V637 WeakPolarHBondContact O-CG2 3.18Å; I633-V637 PolarHBondContact O-N 3.21Å; I633-F719 HydrophobicContact CG2-CE2 4.43Å; I633-F719 HydrophobicContact CG2-CZ 4Å; I633-L723 HydrophobicContact CB-CD2 4.35Å; I633-L723 HydrophobicContact CD1-CD2 3.87Å; I633-L723 HydrophobicContact CG1-CD2 3.77Å; I633-L723 HydrophobicContact CG2-CD2 3.65Å; I633-I726 HydrophobicContact CD1-CG2 4.14Å; I633-I726 HydrophobicContact CG1-CD1 3.74Å; I633-I726 HydrophobicContact CG1-CG2 4.27Å; I633-M797 HydrophobicContact CB-CE 3.71Å; I633-M797 HydrophobicContact CD1-CE 4.49Å; I633-M797 HydrophobicContact CG2-CE 3.46Å; I633-M797 VanDerWaalsContact CG2-CE 3.46Å; I633-M797 HydrophobicContact CG2-SD 4.01Å
634	N	88.1	Confident	86	Confident	43 Å²	43	32.1 Å²	32.1	23%	0.23	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-37.5	-179.3	-170.5	35.1	0	0	0	112	Y630 S631 V637 K638	Y630-N634 VanDerWaalsContact O-CB 3.28Å; Y630-N634 WeakPolarHBondContact O-CB 3.42Å; Y630-N634 PolarHBondContact O-N 2.87Å; S631-N634 PolarHBondContact O-N 3.5Å; N634-V637 PolarHBondContact O-N 2.78Å; N634-K638 VanDerWaalsContact ND2-CE 3.34Å; N634-K638 WeakPolarHBondContact ND2-CE 3.26Å; N634-K638 PolarHBondContact ND2-NZ 2.87Å; N634-K638 VanDerWaalsContact O-CG 3.3Å; N634-K638 WeakPolarHBondContact O-CG 3.44Å; N634-K638 PolarHBondContact O-N 3.5Å
635	D	89.4	Confident	86.6	Confident	16 Å²	16	38 Å²	38	9%	0.086	18%	0.183	C	C	.	.	H	α-helix	trans	-66	-40.8	176.8	-76.2	-2.2	0	0	0	112.2	H587 S631 L632 I633 V637 K638 G639 L667	H587-D635 IonicContact CE1-OD1 2.8Å; H587-D635 PolarHBondContact CE1-OD1 2.67Å; H587-D635 IonicContact CE1-OD2 3.69Å; H587-D635 IonicContact ND1-OD1 3.2Å; H587-D635 IonicContact ND1-OD2 3.36Å; H587-D635 IonicContact NE2-OD1 2.73Å; S631-D635 PolarHBondContact O-N 2.96Å; L632-D635 PolarHBondContact O-N 2.93Å; I633-D635 VanDerWaalsContact C-N 3.32Å; I633-D635 PolarHBondContact O-N 2.82Å; D635-V637 PolarHBondContact O-N 2.92Å; D635-K638 PolarHBondContact O-N 2.82Å; D635-K638 IonicContact OD1-NZ 2.76Å; D635-G639 PolarHBondContact O-N 3.46Å; D635-L667 HydrophobicContact CB-CB 3.82Å; D635-L667 PolarHBondContact OD2-N 2.7Å; D635-L667 VanDerWaalsContact OD2-N 3.17Å
636	I	92.6	Very high	86.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-46.3	172.3	-62.1	165.1	0	0	0	110.3	L613 L632 I633 K638 G639 M640 L667 I669 F719 I722 I726	L613-I636 HydrophobicContact CD2-CD1 4.1Å; L632-I636 WeakPolarHBondContact O-CG1 3.35Å; L632-I636 PolarHBondContact O-N 3.42Å; L632-I636 VanDerWaalsContact O-N 3.11Å; I633-I636 PolarHBondContact O-N 2.94Å; I636-K638 PolarHBondContact O-N 3.25Å; I636-G639 PolarHBondContact O-N 2.99Å; I636-M640 HydrophobicContact CG2-CG 4.29Å; I636-M640 WeakPolarHBondContact O-CB 3.49Å; I636-M640 PolarHBondContact O-N 2.84Å; I636-L667 HydrophobicContact CB-CD2 4.44Å; I636-L667 HydrophobicContact CD1-CD1 3.87Å; I636-L667 HydrophobicContact CD1-CD2 4.47Å; I636-L667 HydrophobicContact CG1-CD1 3.64Å; I636-L667 HydrophobicContact CG1-CD2 3.43Å; I636-L667 VanDerWaalsContact CG1-CD2 3.43Å; I636-L667 HydrophobicContact CG1-CG 4.17Å; I636-I669 HydrophobicContact CG2-CD1 4.5Å; I636-F719 HydrophobicContact CB-CD2 4.48Å; I636-F719 HydrophobicContact CB-CE2 4.13Å; I636-F719 HydrophobicContact CG2-CD2 3.64Å; I636-F719 HydrophobicContact CG2-CE2 3.76Å; I636-I722 HydrophobicContact CD1-CG2 3.99Å; I636-I726 HydrophobicContact CD1-CD1 4.21Å
637	V	92.4	Very high	87.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-42.8	-179.6	171.9	0	0	0	0	111.3	I633 N634 D635 N641 F719 F790 I793 K794	I633-V637 WeakPolarHBondContact O-CG2 3.18Å; I633-V637 PolarHBondContact O-N 3.21Å; N634-V637 PolarHBondContact O-N 2.78Å; D635-V637 PolarHBondContact O-N 2.92Å; V637-N641 WeakPolarHBondContact O-CB 3.36Å; V637-N641 PolarHBondContact O-N 3.27Å; V637-F719 HydrophobicContact CG2-CE1 4.23Å; V637-F719 HydrophobicContact CG2-CE2 3.89Å; V637-F719 HydrophobicContact CG2-CZ 3.45Å; V637-F719 VanDerWaalsContact CG2-CZ 3.45Å; V637-F790 HydrophobicContact CG1-CD1 4.48Å; V637-I793 HydrophobicContact CG1-CG2 4.26Å; V637-I793 HydrophobicContact CG2-CG2 3.76Å; V637-K794 HydrophobicContact CG1-CB 3.75Å; V637-K794 HydrophobicContact CG1-CG 4.37Å
638	K	90.6	Very high	87.4	Confident	66 Å²	66	34.9 Å²	34.9	29%	0.287	16%	0.164	S	C	.	.	H	α-helix	trans	-63.3	-45.4	175.7	-71.3	170.4	-172.2	166.5	0	111.8	H587 N634 D635 I636 Y642	H587-K638 VanDerWaalsContact NE2-CD 3.25Å; H587-K638 WeakPolarHBondContact NE2-CD 3.39Å; N634-K638 VanDerWaalsContact ND2-CE 3.34Å; N634-K638 WeakPolarHBondContact ND2-CE 3.26Å; N634-K638 PolarHBondContact ND2-NZ 2.87Å; N634-K638 VanDerWaalsContact O-CG 3.3Å; N634-K638 WeakPolarHBondContact O-CG 3.44Å; N634-K638 PolarHBondContact O-N 3.5Å; D635-K638 PolarHBondContact O-N 2.82Å; D635-K638 IonicContact OD1-NZ 2.76Å; I636-K638 PolarHBondContact O-N 3.25Å; K638-Y642 PolarHBondContact O-N 2.78Å; K638-Y642 VanDerWaalsContact O-N 3.08Å
639	G	90.9	Very high	87.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-48.6	177.9	0	0	0	0	0	112.5	D635 I636 Y642 L643	D635-G639 PolarHBondContact O-N 3.46Å; I636-G639 PolarHBondContact O-N 2.99Å; G639-Y642 PolarHBondContact O-N 3.41Å; G639-L643 PolarHBondContact O-N 2.9Å
640	M	92.6	Very high	87.9	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.9	-38.6	-179.8	-72.6	-51.2	-66.3	0	0	113.1	I636 Y642 L643 Q644 H651 L654 I669 D715 F790	I636-M640 HydrophobicContact CG2-CG 4.29Å; I636-M640 WeakPolarHBondContact O-CB 3.49Å; I636-M640 PolarHBondContact O-N 2.84Å; M640-Y642 VanDerWaalsContact C-N 3.27Å; M640-Y642 PolarHBondContact O-N 3.23Å; M640-L643 HydrophobicContact CE-CD2 4.33Å; M640-L643 PolarHBondContact O-N 2.88Å; M640-L643 HydrophobicContact SD-CD2 4.2Å; M640-Q644 WeakPolarHBondContact O-CG 3.31Å; M640-Q644 PolarHBondContact O-N 2.94Å; M640-H651 HydrophobicContact CE-CB 3.8Å; M640-H651 HydrophobicContact SD-CB 4.22Å; M640-L654 HydrophobicContact CE-CD2 4.22Å; M640-L654 HydrophobicContact CG-CD2 4.04Å; M640-L654 HydrophobicContact SD-CD1 4.02Å; M640-L654 HydrophobicContact SD-CD2 4.08Å; M640-I669 HydrophobicContact CB-CD1 4.41Å; M640-I669 HydrophobicContact CG-CD1 3.51Å; M640-I669 HydrophobicContact SD-CD1 3.5Å; M640-I669 VanDerWaalsContact SD-CD1 3.5Å; M640-D715 HydrophobicContact CE-CB 3.69Å; M640-D715 WeakPolarHBondContact CE-OD2 3.21Å; M640-F790 HydrophobicContact CB-CD1 3.59Å; M640-F790 HydrophobicContact CB-CD2 3.98Å; M640-F790 HydrophobicContact CB-CE1 3.46Å; M640-F790 VanDerWaalsContact CB-CE1 3.46Å; M640-F790 HydrophobicContact CB-CE2 3.84Å; M640-F790 HydrophobicContact CB-CG 3.84Å; M640-F790 HydrophobicContact CB-CZ 3.57Å; M640-F790 HydrophobicContact CE-CE2 4.23Å; M640-F790 HydrophobicContact CE-CZ 4.37Å; M640-F790 HydrophobicContact CG-CD1 4.47Å; M640-F790 HydrophobicContact CG-CE1 3.85Å; M640-F790 HydrophobicContact CG-CE2 4.31Å; M640-F790 HydrophobicContact CG-CZ 3.74Å
641	N	92.7	Very high	88	Confident	33 Å²	33	30.8 Å²	30.8	18%	0.176	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-37.3	174	-176.9	73	0	0	0	111.8	V637 N645 F790 G791	V637-N641 WeakPolarHBondContact O-CB 3.36Å; V637-N641 PolarHBondContact O-N 3.27Å; N641-N645 PolarHBondContact O-N 2.99Å; N641-N645 PolarHBondContact O-ND2 2.94Å; N641-F790 HydrophobicContact CB-CB 4.04Å; N641-G791 PolarHBondContact OD1-N 2.99Å
642	Y	91.4	Very high	88	Confident	78 Å²	78	30.8 Å²	30.8	31%	0.306	16%	0.16	S	C	.	.	H	α-helix	trans	-67.4	-46.2	173.7	179.9	-92.3	0	0	0	111.4	I583 F585 L588 K638 G639 M640 Q644 N645 S646	I583-Y642 HydrophobicContact CG2-CE1 4.03Å; F585-Y642 HydrophobicContact CB-CD1 4.06Å; F585-Y642 HydrophobicContact CB-CE1 3.89Å; F585-Y642 HydrophobicContact CB-CE2 4.48Å; F585-Y642 HydrophobicContact CB-CG 4.42Å; F585-Y642 HydrophobicContact CD1-CD1 4.03Å; F585-Y642 HydrophobicContact CD1-CD2 4.47Å; F585-Y642 AromaticContact CD1-CG 3.9Å; F585-Y642 HydrophobicContact CD1-CG 3.9Å; F585-Y642 AromaticContact CD2-CD2 3.8Å; F585-Y642 HydrophobicContact CD2-CD2 3.8Å; F585-Y642 HydrophobicContact CD2-CE2 4.04Å; F585-Y642 HydrophobicContact CD2-CG 4.05Å; F585-Y642 HydrophobicContact CE1-CG 4.1Å; F585-Y642 AromaticContact CE2-CD2 4Å; F585-Y642 HydrophobicContact CE2-CD2 4Å; F585-Y642 HydrophobicContact CE2-CG 4.28Å; F585-Y642 AromaticContact CG-CD1 3.95Å; F585-Y642 HydrophobicContact CG-CD1 3.95Å; F585-Y642 HydrophobicContact CG-CD2 4.06Å; F585-Y642 HydrophobicContact CG-CE1 4.23Å; F585-Y642 HydrophobicContact CG-CE2 4.32Å; F585-Y642 AromaticContact CG-CG 3.86Å; F585-Y642 HydrophobicContact CG-CG 3.86Å; F585-Y642 HydrophobicContact CZ-CD2 4.4Å; F585-Y642 HydrophobicContact CZ-CG 4.29Å; L588-Y642 HydrophobicContact CD1-CD1 3.61Å; L588-Y642 HydrophobicContact CD1-CE1 3.87Å; L588-Y642 HydrophobicContact CG-CD1 4.43Å; K638-Y642 PolarHBondContact O-N 2.78Å; K638-Y642 VanDerWaalsContact O-N 3.08Å; G639-Y642 PolarHBondContact O-N 3.41Å; M640-Y642 VanDerWaalsContact C-N 3.27Å; M640-Y642 PolarHBondContact O-N 3.23Å; Y642-Q644 VanDerWaalsContact C-N 3.34Å; Y642-Q644 PolarHBondContact O-N 2.83Å; Y642-N645 CarbonylContact O-C 3.29Å; Y642-N645 PolarHBondContact O-N 2.93Å; Y642-S646 WeakPolarHBondContact O-CB 3.46Å; Y642-S646 PolarHBondContact O-N 3.21Å; Y642-S646 VanDerWaalsContact O-N 3.13Å
643	L	89.5	Confident	87.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62	-39.9	-178.8	-168.4	69.8	0	0	0	112.4	L588 G639 M640 N645 S646 F648 G649 H651 Y672	L588-L643 HydrophobicContact CD1-CD1 4.26Å; G639-L643 PolarHBondContact O-N 2.9Å; M640-L643 HydrophobicContact CE-CD2 4.33Å; M640-L643 PolarHBondContact O-N 2.88Å; M640-L643 HydrophobicContact SD-CD2 4.2Å; L643-N645 VanDerWaalsContact C-N 3.3Å; L643-N645 PolarHBondContact O-N 2.76Å; L643-S646 WeakPolarHBondContact O-CB 3.38Å; L643-S646 PolarHBondContact O-N 3.32Å; L643-S646 VanDerWaalsContact O-N 3.11Å; L643-S646 PolarHBondContact O-OG 3.24Å; L643-F648 HydrophobicContact CD1-CB 3.94Å; L643-F648 HydrophobicContact CD1-CD2 4.34Å; L643-F648 HydrophobicContact CD1-CG 4.35Å; L643-G649 PolarHBondContact O-N 3.28Å; L643-H651 HydrophobicContact CD2-CB 3.65Å; L643-Y672 HydrophobicContact CD1-CD2 3.98Å; L643-Y672 HydrophobicContact CD1-CG 4.18Å
644	Q	88.1	Confident	87.9	Confident	18 Å²	18	34.6 Å²	34.6	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-32	177.1	-74.5	-170.7	-24.2	0	0	113.6	M640 Y642 S646 G649 Q712 F790	M640-Q644 WeakPolarHBondContact O-CG 3.31Å; M640-Q644 PolarHBondContact O-N 2.94Å; Y642-Q644 VanDerWaalsContact C-N 3.34Å; Y642-Q644 PolarHBondContact O-N 2.83Å; Q644-S646 VanDerWaalsContact C-N 3.31Å; Q644-G649 WeakPolarHBondContact CA-O 3.42Å; Q644-Q712 HydrophobicContact CG-CG 4.21Å; Q644-Q712 PolarHBondContact NE2-O 3.04Å; Q644-F790 VanDerWaalsContact CD-CD2 3.48Å; Q644-F790 HydrophobicContact CG-CD2 4.48Å; Q644-F790 VanDerWaalsContact NE2-CD2 3.29Å
645	N	86.7	Confident	88	Confident	128 Å²	128	34 Å²	34	68%	0.684	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	2.1	176.3	-67.7	-53.8	0	0	0	112.9	N641 Y642 L643	N641-N645 PolarHBondContact O-N 2.99Å; N641-N645 PolarHBondContact O-ND2 2.94Å; Y642-N645 CarbonylContact O-C 3.29Å; Y642-N645 PolarHBondContact O-N 2.93Å; L643-N645 VanDerWaalsContact C-N 3.3Å; L643-N645 PolarHBondContact O-N 2.76Å
646	S	86.3	Confident	87.9	Confident	25 Å²	25	33.2 Å²	33.2	18%	0.175	17%	0.172	C	C	.	.	S	Bend	trans	-97.9	174.3	-179.9	82.2	0	0	0	0	112.3	Y642 L643 Q644 F648 G649	Y642-S646 WeakPolarHBondContact O-CB 3.46Å; Y642-S646 PolarHBondContact O-N 3.21Å; Y642-S646 VanDerWaalsContact O-N 3.13Å; L643-S646 WeakPolarHBondContact O-CB 3.38Å; L643-S646 PolarHBondContact O-N 3.32Å; L643-S646 VanDerWaalsContact O-N 3.11Å; L643-S646 PolarHBondContact O-OG 3.24Å; Q644-S646 VanDerWaalsContact C-N 3.31Å; S646-F648 PolarHBondContact O-N 3.36Å; S646-F648 VanDerWaalsContact O-N 3.09Å; S646-F648 PolarHBondContact OG-N 3.12Å; S646-G649 PolarHBondContact O-N 3.01Å
647	Y	82.9	Confident	87.6	Confident	133 Å²	133	34.7 Å²	34.7	52%	0.522	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-31.6	176.4	177.9	-98.9	0	0	0	114.1	H579	H579-Y647 HydrophobicContact CB-CD1 4.18Å; H579-Y647 AromaticContact CD2-CD1 3.88Å; H579-Y647 AromaticContact CD2-CE1 3.95Å; H579-Y647 AromaticContact CD2-CG 3.95Å
648	F	81.3	Confident	87.5	Confident	22 Å²	22	35 Å²	35	10%	0.096	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-29.2	-178	-65.1	-81.9	0	0	0	112.7	E576 H579 M580 I583 L643 S646 C650	E576-F648 HydrophobicContact CG-CE1 3.65Å; E576-F648 HydrophobicContact CG-CZ 4.26Å; H579-F648 HydrophobicContact CB-CE2 4.25Å; H579-F648 HydrophobicContact CB-CZ 4.18Å; M580-F648 HydrophobicContact CB-CZ 4.33Å; M580-F648 HydrophobicContact CG-CE1 3.8Å; M580-F648 HydrophobicContact CG-CE2 4.1Å; M580-F648 HydrophobicContact CG-CZ 3.27Å; M580-F648 HydrophobicContact SD-CE1 4.38Å; M580-F648 HydrophobicContact SD-CZ 4.31Å; I583-F648 HydrophobicContact CD1-CD2 3.66Å; I583-F648 HydrophobicContact CD1-CE2 3.35Å; L643-F648 HydrophobicContact CD1-CB 3.94Å; L643-F648 HydrophobicContact CD1-CD2 4.34Å; L643-F648 HydrophobicContact CD1-CG 4.35Å; S646-F648 PolarHBondContact O-N 3.36Å; S646-F648 VanDerWaalsContact O-N 3.09Å; S646-F648 PolarHBondContact OG-N 3.12Å; F648-C650 PolarHBondContact O-N 3.38Å
649	G	81.4	Confident	87.5	Confident	19 Å²	19	31.8 Å²	31.8	20%	0.196	17%	0.17	C	C	.	.			trans	67.9	-29	177	0	0	0	0	0	115.7	L643 Q644 S646 Q712	L643-G649 PolarHBondContact O-N 3.28Å; Q644-G649 WeakPolarHBondContact CA-O 3.42Å; S646-G649 PolarHBondContact O-N 3.01Å; G649-Q712 WeakPolarHBondContact O-CG 3.35Å; G649-Q712 PolarHBondContact O-NE2 3.42Å
650	C	86.4	Confident	87.5	Confident	18 Å²	18	32.9 Å²	32.9	12%	0.122	18%	0.177	C	C	.	.			trans	-157.5	164.8	177.9	55.4	0	0	0	0	110.8	F648 Q709 Q712 D715	F648-C650 PolarHBondContact O-N 3.38Å; C650-Q709 PolarHBondContact SG-O 3.19Å; C650-Q712 HydrophobicContact CB-CG 4.14Å; C650-D715 WeakPolarHBondContact CA-OD2 3.43Å; C650-D715 WeakPolarHBondContact CB-OD2 3.31Å
651	H	87.6	Confident	87.2	Confident	13 Å²	13	32.9 Å²	32.9	6%	0.06	18%	0.177	C	C	.	.			trans	-90.7	-47.3	174.5	-171.9	-46.2	0	0	0	111.8	M640 L643 N653 I669 T670 D715	M640-H651 HydrophobicContact CE-CB 3.8Å; M640-H651 HydrophobicContact SD-CB 4.22Å; L643-H651 HydrophobicContact CD2-CB 3.65Å; H651-N653 VanDerWaalsContact C-N 3.26Å; H651-N653 PolarHBondContact CE1-O 3.21Å; H651-N653 PolarHBondContact ND1-N 3.05Å; H651-N653 PolarHBondContact O-N 3.2Å; H651-I669 VanDerWaalsContact CD2-CG2 3.4Å; H651-I669 WeakPolarHBondContact CD2-CG2 3.33Å; H651-T670 PolarHBondContact NE2-O 3.5Å; H651-D715 PolarHBondContact N-OD2 3.22Å
652	G	81.6	Confident	86.7	Confident	32 Å²	32	32 Å²	32	33%	0.33	17%	0.171	S	C	.	.	S	Bend	trans	76.3	-2.4	176.6	0	0	0	0	0	116.7	Q709 D715	G652-Q709 VanDerWaalsContact CA-O 3.23Å; G652-Q709 WeakPolarHBondContact CA-O 3.38Å; G652-D715 PolarHBondContact N-OD1 2.96Å
653	N	84.8	Confident	85.9	Confident	81 Å²	81	32 Å²	32	43%	0.433	18%	0.183	S	C	.	.	S	Bend	trans	-156.6	46.2	176.3	-169.3	22.1	0	0	0	110.6	H651 N658	H651-N653 VanDerWaalsContact C-N 3.26Å; H651-N653 PolarHBondContact CE1-O 3.21Å; H651-N653 PolarHBondContact ND1-N 3.05Å; H651-N653 PolarHBondContact O-N 3.2Å; N653-N658 PolarHBondContact O-ND2 3.06Å
654	L	89.6	Confident	85	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.208	C	C	.	.			trans	-72	130.4	178.3	-175.3	67.6	0	0	0	109.6	M640 I669 S718 F719 I722	M640-L654 HydrophobicContact CE-CD2 4.22Å; M640-L654 HydrophobicContact CG-CD2 4.04Å; M640-L654 HydrophobicContact SD-CD1 4.02Å; M640-L654 HydrophobicContact SD-CD2 4.08Å; L654-I669 HydrophobicContact CD1-CG2 4.18Å; L654-S718 WeakPolarHBondContact O-CB 3.35Å; L654-F719 HydrophobicContact CD2-CB 4.25Å; L654-I722 HydrophobicContact CD2-CD1 4.28Å; L654-I722 HydrophobicContact CG-CD1 3.89Å
655	K	89.2	Confident	84.4	Confident	31 Å²	31	41.6 Å²	41.6	14%	0.135	22%	0.221	C	C	.	.			trans	-159	161.2	178.4	53.1	177.2	174	143.6	0	109.9	S657 N658 C659 W695	K655-S657 VanDerWaalsContact CD-OG 3.31Å; K655-S657 WeakPolarHBondContact CD-OG 3.48Å; K655-S657 WeakPolarHBondContact CE-OG 3.44Å; K655-S657 PolarHBondContact NZ-OG 2.94Å; K655-S657 PolarHBondContact O-N 3.14Å; K655-N658 WeakPolarHBondContact CE-ND2 3.28Å; K655-N658 VanDerWaalsContact CE-OD1 3.24Å; K655-N658 WeakPolarHBondContact CE-OD1 3.47Å; K655-N658 HydrophobicContact CG-CB 3.97Å; K655-N658 PolarHBondContact O-N 3.5Å; K655-C659 PolarHBondContact O-N 3.04Å; K655-W695 HydrophobicContact CB-CD2 3.68Å; K655-W695 HydrophobicContact CB-CE3 4.01Å; K655-W695 HydrophobicContact CB-CG 3.9Å; K655-W695 HydrophobicContact CB-CZ2 4.42Å
656	S	87.4	Confident	84.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-56.3	-33.4	179.5	51.7	0	0	0	0	113	L613 N658 C659 E725	L613-S656 WeakPolarHBondContact CB-O 3.43Å; L613-S656 PolarHBondContact N-O 2.83Å; S656-N658 VanDerWaalsContact C-N 3.27Å; S656-N658 PolarHBondContact O-N 3.42Å; S656-C659 PolarHBondContact O-N 3.37Å; S656-E725 WeakPolarHBondContact CB-OE2 3.38Å; S656-E725 PolarHBondContact OG-OE1 3.18Å; S656-E725 PolarHBondContact OG-OE2 3.19Å
657	S	85.9	Confident	84.4	Confident	31 Å²	31	35.7 Å²	35.7	22%	0.217	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-70.6	-16.9	175.1	88.4	0	0	0	0	114.9	K655	K655-S657 VanDerWaalsContact CD-OG 3.31Å; K655-S657 WeakPolarHBondContact CD-OG 3.48Å; K655-S657 WeakPolarHBondContact CE-OG 3.44Å; K655-S657 PolarHBondContact NZ-OG 2.94Å; K655-S657 PolarHBondContact O-N 3.14Å
658	N	90.2	Very high	84.9	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.027	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-99.6	1.5	178.5	-72.1	-3.1	0	0	0	112	N653 K655 S656 T670 D671	N653-N658 PolarHBondContact O-ND2 3.06Å; K655-N658 WeakPolarHBondContact CE-ND2 3.28Å; K655-N658 VanDerWaalsContact CE-OD1 3.24Å; K655-N658 WeakPolarHBondContact CE-OD1 3.47Å; K655-N658 HydrophobicContact CG-CB 3.97Å; K655-N658 PolarHBondContact O-N 3.5Å; S656-N658 VanDerWaalsContact C-N 3.27Å; S656-N658 PolarHBondContact O-N 3.42Å; N658-T670 HydrophobicContact CB-CG2 4.47Å; N658-T670 WeakPolarHBondContact O-CG2 3.44Å; N658-T670 PolarHBondContact O-N 3.29Å; N658-D671 PolarHBondContact OD1-OD2 2.84Å
659	C	91.8	Very high	85.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110	167.9	-64.9	0	0	0	0	107.2	S612 L613 K655 S656 L667	S612-C659 CarbonylContact C-O 3.51Å; S612-C659 VanDerWaalsContact CA-O 3.25Å; S612-C659 WeakPolarHBondContact CA-O 3.36Å; L613-C659 HydrophobicContact CB-CB 3.87Å; L613-C659 HydrophobicContact CD2-CB 4.29Å; L613-C659 PolarHBondContact N-O 2.63Å; K655-C659 PolarHBondContact O-N 3.04Å; S656-C659 PolarHBondContact O-N 3.37Å; C659-L667 HydrophobicContact CB-CD1 3.97Å; C659-L667 HydrophobicContact CB-CD2 3.87Å; C659-L667 HydrophobicContact CB-CG 4.07Å
660	V	90.9	Very high	85.8	Confident	23 Å²	23	29 Å²	29	14%	0.139	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	151.6	-177.5	-66.8	0	0	0	0	111	T589 C608 G611 K668 T670	T589-V660 HydrophobicContact CG2-CG2 3.44Å; T589-V660 VanDerWaalsContact CG2-CG2 3.44Å; C608-V660 HydrophobicContact CB-CB 3.83Å; C608-V660 HydrophobicContact CB-CG2 3.97Å; C608-V660 VanDerWaalsContact SG-CG2 3.54Å; G611-V660 WeakPolarHBondContact O-CA 3.43Å; V660-K668 HydrophobicContact CG2-CB 4.25Å; V660-K668 WeakPolarHBondContact CG2-O 3.41Å; V660-K668 PolarHBondContact N-O 3.24Å; V660-K668 PolarHBondContact O-N 2.9Å; V660-T670 HydrophobicContact CG1-CG2 3.91Å; V660-T670 HydrophobicContact CG2-CG2 4.25Å
661	V	85.9	Confident	85.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.3	-173	-178.8	0	0	0	0	110.9	C608 R610 G611 I616 F665 L667	C608-V661 WeakPolarHBondContact CB-O 3.42Å; R610-V661 HydrophobicContact CB-CB 3.97Å; R610-V661 HydrophobicContact CB-CG1 4Å; R610-V661 WeakPolarHBondContact CB-O 3.24Å; R610-V661 HydrophobicContact CG-CG1 4.35Å; R610-V661 PolarHBondContact N-O 2.84Å; G611-V661 PolarHBondContact O-N 3.33Å; I616-V661 HydrophobicContact CD1-CB 3.77Å; I616-V661 HydrophobicContact CD1-CG1 4.17Å; I616-V661 HydrophobicContact CD1-CG2 3.46Å; I616-V661 VanDerWaalsContact CD1-CG2 3.46Å; V661-F665 HydrophobicContact CG1-CB 4.44Å; V661-F665 HydrophobicContact CG1-CD1 4.16Å; V661-L667 HydrophobicContact CG2-CB 4.39Å; V661-L667 HydrophobicContact CG2-CG 4.43Å
662	D	81.8	Confident	85.7	Confident	13 Å²	13	29.2 Å²	29.2	7%	0.07	16%	0.157	C	C	.	.			trans	-74.8	-179.1	-179.4	80.8	-1	0	0	0	112.5	R610 R664 F665 V666	R610-D662 WeakPolarHBondContact CG-O 3.35Å; D662-R664 PolarHBondContact O-N 3.41Å; D662-R664 VanDerWaalsContact O-N 3.16Å; D662-R664 WeakPolarHBondContact OD1-CA 3.39Å; D662-R664 WeakPolarHBondContact OD1-CB 3.08Å; D662-R664 PolarHBondContact OD1-N 2.89Å; D662-R664 IonicContact OD2-NE 2.7Å; D662-R664 IonicContact OD2-NH2 2.81Å; D662-F665 PolarHBondContact O-N 3.31Å; D662-F665 PolarHBondContact OD1-N 2.91Å; D662-V666 PolarHBondContact N-O 3.38Å; D662-V666 VanDerWaalsContact N-O 3.1Å; D662-V666 PolarHBondContact OD1-N 3.38Å
663	S	74.3	Confident	85.7	Confident	78 Å²	78	28.3 Å²	28.3	55%	0.545	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.1	179.2	52	0	0	0	0	113.8
664	R	70.4	Confident	85.3	Confident	141 Å²	141	24.5 Å²	24.5	53%	0.532	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	10.7	-175.5	-57.8	-177.8	-62.8	-179.3	3.1	113.1	D662 V666	D662-R664 PolarHBondContact O-N 3.41Å; D662-R664 VanDerWaalsContact O-N 3.16Å; D662-R664 WeakPolarHBondContact OD1-CA 3.39Å; D662-R664 WeakPolarHBondContact OD1-CB 3.08Å; D662-R664 PolarHBondContact OD1-N 2.89Å; D662-R664 IonicContact OD2-NE 2.7Å; D662-R664 IonicContact OD2-NH2 2.81Å; R664-V666 HydrophobicContact CB-CG2 4.33Å; R664-V666 PolarHBondContact O-N 2.9Å
665	F	75.4	Confident	84.4	Confident	79 Å²	79	25.5 Å²	25.5	35%	0.346	14%	0.136	S	C	.	.	S	Bend	trans	63.2	21.2	-175.5	-68.1	-80.9	0	0	0	114.9	F628 V661 D662	F628-F665 HydrophobicContact CE2-CB 4Å; F628-F665 AromaticContact CE2-CD1 3.95Å; F628-F665 HydrophobicContact CE2-CD1 3.95Å; F628-F665 HydrophobicContact CE2-CG 4.09Å; F628-F665 HydrophobicContact CZ-CB 4.28Å; F628-F665 AromaticContact CZ-CD1 3.55Å; F628-F665 HydrophobicContact CZ-CD1 3.55Å; F628-F665 HydrophobicContact CZ-CE1 4.1Å; F628-F665 HydrophobicContact CZ-CG 4.15Å; V661-F665 HydrophobicContact CG1-CB 4.44Å; V661-F665 HydrophobicContact CG1-CD1 4.16Å; D662-F665 PolarHBondContact O-N 3.31Å; D662-F665 PolarHBondContact OD1-N 2.91Å
666	V	83.5	Confident	83.5	Confident	30 Å²	30	25.9 Å²	25.9	18%	0.182	14%	0.143	C	C	.	.			trans	-84.4	127.4	170.8	-178.7	0	0	0	0	108.6	D662 R664	D662-V666 PolarHBondContact N-O 3.38Å; D662-V666 VanDerWaalsContact N-O 3.1Å; D662-V666 PolarHBondContact OD1-N 3.38Å; R664-V666 HydrophobicContact CB-CG2 4.33Å; R664-V666 PolarHBondContact O-N 2.9Å
667	L	90.1	Very high	82.6	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	128.8	177	-173.1	157.6	0	0	0	109.9	H587 L613 L632 D635 I636 C659 V661 I669	H587-L667 PolarHBondContact ND1-O 3.4Å; L613-L667 HydrophobicContact CB-CD1 4.48Å; L613-L667 HydrophobicContact CD1-CD1 4.41Å; L613-L667 HydrophobicContact CD2-CD1 4.23Å; L632-L667 HydrophobicContact CB-CD1 4.25Å; L632-L667 HydrophobicContact CD2-CB 4.13Å; L632-L667 HydrophobicContact CD2-CD1 4.1Å; D635-L667 HydrophobicContact CB-CB 3.82Å; D635-L667 PolarHBondContact OD2-N 2.7Å; D635-L667 VanDerWaalsContact OD2-N 3.17Å; I636-L667 HydrophobicContact CB-CD2 4.44Å; I636-L667 HydrophobicContact CD1-CD1 3.87Å; I636-L667 HydrophobicContact CD1-CD2 4.47Å; I636-L667 HydrophobicContact CG1-CD1 3.64Å; I636-L667 HydrophobicContact CG1-CD2 3.43Å; I636-L667 VanDerWaalsContact CG1-CD2 3.43Å; I636-L667 HydrophobicContact CG1-CG 4.17Å; C659-L667 HydrophobicContact CB-CD1 3.97Å; C659-L667 HydrophobicContact CB-CD2 3.87Å; C659-L667 HydrophobicContact CB-CG 4.07Å; V661-L667 HydrophobicContact CG2-CB 4.39Å; V661-L667 HydrophobicContact CG2-CG 4.43Å; L667-I669 HydrophobicContact CD2-CG1 4.36Å
668	K	92.3	Very high	81.8	Confident	19 Å²	19	27.8 Å²	27.8	8%	0.083	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137	176.1	-55.6	-166.5	176.3	-170.5	0	110.6	N586 H587 T589 E606 V660	N586-K668 VanDerWaalsContact O-CE 3.27Å; N586-K668 WeakPolarHBondContact O-CE 3.13Å; N586-K668 WeakPolarHBondContact O-CG 3.38Å; H587-K668 CarbonylContact O-C 3.49Å; H587-K668 WeakPolarHBondContact O-CA 3.46Å; T589-K668 HydrophobicContact CG2-CB 3.84Å; E606-K668 WeakPolarHBondContact OE1-CD 3.47Å; E606-K668 IonicContact OE1-NZ 3.72Å; E606-K668 PolarHBondContact OE1-NZ 3.25Å; E606-K668 IonicContact OE2-NZ 2.78Å; E606-K668 PolarHBondContact OE2-NZ 3.07Å; V660-K668 HydrophobicContact CG2-CB 4.25Å; V660-K668 WeakPolarHBondContact CG2-O 3.41Å; V660-K668 PolarHBondContact N-O 3.24Å; V660-K668 PolarHBondContact O-N 2.9Å
669	I	92.8	Very high	80.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.8	175	-53.3	179.4	0	0	0	108.2	H587 L588 T589 I636 M640 H651 L654 L667	H587-I669 PolarHBondContact O-N 2.83Å; L588-I669 WeakPolarHBondContact CA-O 3.5Å; L588-I669 HydrophobicContact CD2-CB 3.79Å; L588-I669 HydrophobicContact CD2-CG2 4.46Å; T589-I669 PolarHBondContact N-O 2.86Å; I636-I669 HydrophobicContact CG2-CD1 4.5Å; M640-I669 HydrophobicContact CB-CD1 4.41Å; M640-I669 HydrophobicContact CG-CD1 3.51Å; M640-I669 HydrophobicContact SD-CD1 3.5Å; M640-I669 VanDerWaalsContact SD-CD1 3.5Å; H651-I669 VanDerWaalsContact CD2-CG2 3.4Å; H651-I669 WeakPolarHBondContact CD2-CG2 3.33Å; L654-I669 HydrophobicContact CD1-CG2 4.18Å; L667-I669 HydrophobicContact CD2-CG1 4.36Å
670	T	89.7	Confident	78.8	Confident	14 Å²	14	35 Å²	35	9%	0.086	20%	0.196	C	C	.	.			trans	-109.4	174.8	176.7	-160	0	0	0	0	111.1	T589 H651 N658 V660 Y672	T589-T670 WeakPolarHBondContact OG1-CA 3.33Å; T589-T670 WeakPolarHBondContact OG1-CB 3.45Å; T589-T670 PolarHBondContact OG1-OG1 3.06Å; H651-T670 PolarHBondContact NE2-O 3.5Å; N658-T670 HydrophobicContact CB-CG2 4.47Å; N658-T670 WeakPolarHBondContact O-CG2 3.44Å; N658-T670 PolarHBondContact O-N 3.29Å; V660-T670 HydrophobicContact CG1-CG2 3.91Å; V660-T670 HydrophobicContact CG2-CG2 4.25Å; T670-Y672 PolarHBondContact O-N 3.42Å
671	D	85	Confident	76.8	Confident	28 Å²	28	39 Å²	39	15%	0.15	23%	0.225	C	C	.	.	S	Bend	trans	64	20	172.6	-75.3	-28.1	0	0	0	116.7	K560 N658 R678	K560-D671 IonicContact NZ-OD1 2.67Å; K560-D671 PolarHBondContact NZ-OD1 3.23Å; K560-D671 IonicContact NZ-OD2 2.62Å; K560-D671 PolarHBondContact NZ-OD2 3.42Å; N658-D671 PolarHBondContact OD1-OD2 2.84Å; D671-R678 IonicContact OD1-CZ 2.72Å; D671-R678 IonicContact OD1-NH1 2.64Å; D671-R678 PolarHBondContact OD1-NH1 2.98Å; D671-R678 IonicContact OD1-NH2 3.62Å; D671-R678 PolarHBondContact OD1-NH2 3.05Å; D671-R678 IonicContact OD2-NH1 3.3Å
672	Y	86.8	Confident	74.8	Confident	7 Å²	7	44.5 Å²	44.5	3%	0.027	25%	0.25	C	S	.	.			trans	-76.8	153.1	169.2	65.9	-90.1	0	0	0	111.8	M580 I583 L588 T589 L643 T670	M580-Y672 HydrophobicContact CG-CE2 4.41Å; M580-Y672 HydrophobicContact SD-CD2 4.09Å; M580-Y672 HydrophobicContact SD-CE2 3.96Å; I583-Y672 HydrophobicContact CD1-CE2 4.25Å; L588-Y672 HydrophobicContact CB-CE1 3.87Å; L588-Y672 HydrophobicContact CD1-CE1 4.34Å; L588-Y672 HydrophobicContact CD2-CD1 4.21Å; L588-Y672 HydrophobicContact CD2-CE1 4.24Å; L588-Y672 HydrophobicContact CG-CE1 4.37Å; T589-Y672 PolarHBondContact O-OH 2.85Å; T589-Y672 VanDerWaalsContact O-OH 3.08Å; L643-Y672 HydrophobicContact CD1-CD2 3.98Å; L643-Y672 HydrophobicContact CD1-CG 4.18Å; T670-Y672 PolarHBondContact O-N 3.42Å
673	G	81.1	Confident	73.1	Confident	14 Å²	14	52.1 Å²	52.1	14%	0.144	29%	0.291	C	S	.	.	S	Bend	trans	63.1	-173.5	178.3	0	0	0	0	0	115.1	A675 R678	G673-A675 PolarHBondContact O-N 3.3Å; G673-R678 WeakPolarHBondContact O-CD 3.5Å; G673-R678 PolarHBondContact O-NE 3.48Å
674	L	76.1	Confident	71.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.			trans	53.3	47	-176.1	-58.9	-179.8	0	0	0	113.7	E576 L577 M580 F591 I603 S676 F677 R678	E576-L674 HydrophobicContact CB-CD2 4.47Å; E576-L674 HydrophobicContact CG-CD2 4.09Å; E576-L674 VanDerWaalsContact OE1-CA 3.27Å; E576-L674 WeakPolarHBondContact OE1-CA 3.09Å; E576-L674 PolarHBondContact OE1-N 2.8Å; L577-L674 HydrophobicContact CD2-CD1 3.93Å; L577-L674 HydrophobicContact CD2-CD2 3.59Å; L577-L674 HydrophobicContact CD2-CG 4.41Å; L577-L674 HydrophobicContact CG-CD2 3.79Å; M580-L674 HydrophobicContact CE-CD1 3.26Å; M580-L674 HydrophobicContact CE-CD2 4.27Å; M580-L674 HydrophobicContact CE-CG 3.43Å; M580-L674 VanDerWaalsContact CE-CG 3.43Å; M580-L674 HydrophobicContact SD-CD1 4.43Å; M580-L674 HydrophobicContact SD-CG 3.97Å; F591-L674 HydrophobicContact CE2-CD1 4.26Å; I603-L674 HydrophobicContact CD1-CD1 3.99Å; I603-L674 HydrophobicContact CG1-CD1 4.34Å; L674-S676 PolarHBondContact O-N 2.78Å; L674-S676 VanDerWaalsContact O-N 3.13Å; L674-F677 HydrophobicContact CB-CB 4.06Å; L674-F677 HydrophobicContact CB-CD2 3.97Å; L674-F677 HydrophobicContact CB-CG 4.29Å; L674-F677 HydrophobicContact CD1-CD2 4.29Å; L674-F677 HydrophobicContact CD1-CG 4.44Å; L674-F677 HydrophobicContact CD2-CD2 3.89Å; L674-F677 HydrophobicContact CD2-CE2 4.02Å; L674-F677 HydrophobicContact CG-CD2 4.28Å; L674-F677 PolarHBondContact O-N 3.24Å; L674-R678 WeakPolarHBondContact O-CB 3.36Å; L674-R678 WeakPolarHBondContact O-CG 3.3Å; L674-R678 PolarHBondContact O-N 3.19Å
675	A	71.1	Confident	70.7	Confident	22 Å²	22	54.3 Å²	54.3	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-55.4	-33.7	178.6	0	0	0	0	0	112.1	G673 R678 S679 Q709	G673-A675 PolarHBondContact O-N 3.3Å; A675-R678 PolarHBondContact O-N 3.47Å; A675-S679 WeakPolarHBondContact O-CB 3.43Å; A675-S679 PolarHBondContact O-N 3.3Å; A675-Q709 HydrophobicContact CB-CG 4.06Å
676	S	70.9	Confident	70.1	Confident	39 Å²	39	52.8 Å²	52.8	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-66.8	-34.3	176.1	60.4	0	0	0	0	113.9	K564 L674 S679	K564-S676 PolarHBondContact NZ-O 3.31Å; L674-S676 PolarHBondContact O-N 2.78Å; L674-S676 VanDerWaalsContact O-N 3.13Å; S676-S679 PolarHBondContact O-OG 3.37Å
677	F	68.7	Low	69	Low	4 Å²	4	56.3 Å²	56.3	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-77.1	-32.4	173.6	-73.8	-109.7	0	0	0	111.1	V562 I567 V573 L577 I596 I603 L674	V562-F677 WeakPolarHBondContact CG1-O 3.42Å; I567-F677 HydrophobicContact CD1-CD1 3.18Å; I567-F677 HydrophobicContact CD1-CE1 3.31Å; I567-F677 HydrophobicContact CD1-CG 3.91Å; I567-F677 HydrophobicContact CD1-CZ 4.15Å; I567-F677 HydrophobicContact CG2-CE1 4.13Å; I567-F677 HydrophobicContact CG2-CE2 4.27Å; I567-F677 HydrophobicContact CG2-CZ 3.93Å; V573-F677 HydrophobicContact CG1-CD2 4.35Å; V573-F677 HydrophobicContact CG1-CE2 3.47Å; V573-F677 VanDerWaalsContact CG1-CE2 3.47Å; V573-F677 HydrophobicContact CG1-CZ 4.25Å; L577-F677 HydrophobicContact CD1-CE2 4.21Å; L577-F677 HydrophobicContact CD1-CZ 4.11Å; L577-F677 HydrophobicContact CD2-CE2 4.46Å; L577-F677 HydrophobicContact CD2-CZ 4.49Å; L577-F677 HydrophobicContact CG-CE2 4.48Å; I596-F677 HydrophobicContact CG2-CE1 4.24Å; I603-F677 HydrophobicContact CD1-CB 4.06Å; L674-F677 HydrophobicContact CB-CB 4.06Å; L674-F677 HydrophobicContact CB-CD2 3.97Å; L674-F677 HydrophobicContact CB-CG 4.29Å; L674-F677 HydrophobicContact CD1-CD2 4.29Å; L674-F677 HydrophobicContact CD1-CG 4.44Å; L674-F677 HydrophobicContact CD2-CD2 3.89Å; L674-F677 HydrophobicContact CD2-CE2 4.02Å; L674-F677 HydrophobicContact CG-CD2 4.28Å; L674-F677 PolarHBondContact O-N 3.24Å
678	R	68.6	Low	67.8	Low	67 Å²	67	58.9 Å²	58.9	25%	0.253	34%	0.342	S	S	.	.	H	α-helix	trans	-92.8	-13.4	-170.7	-65.6	169.3	-178.6	-80.5	-11.5	114.5	K560 D671 G673 L674 A675 S680	K560-R678 VanDerWaalsContact NZ-NH1 3.14Å; D671-R678 IonicContact OD1-CZ 2.72Å; D671-R678 IonicContact OD1-NH1 2.64Å; D671-R678 PolarHBondContact OD1-NH1 2.98Å; D671-R678 IonicContact OD1-NH2 3.62Å; D671-R678 PolarHBondContact OD1-NH2 3.05Å; D671-R678 IonicContact OD2-NH1 3.3Å; G673-R678 WeakPolarHBondContact O-CD 3.5Å; G673-R678 PolarHBondContact O-NE 3.48Å; L674-R678 WeakPolarHBondContact O-CB 3.36Å; L674-R678 WeakPolarHBondContact O-CG 3.3Å; L674-R678 PolarHBondContact O-N 3.19Å; A675-R678 PolarHBondContact O-N 3.47Å; R678-S680 PolarHBondContact O-N 3.42Å
679	S	64.6	Low	66.6	Low	56 Å²	56	60.9 Å²	60.9	39%	0.392	35%	0.353	S	S	.	.			trans	-63.6	109.7	175.5	60.2	0	0	0	0	110.2	K564 A675 S676	K564-S679 WeakPolarHBondContact CE-O 3.45Å; K564-S679 PolarHBondContact NZ-O 3.46Å; K564-S679 VanDerWaalsContact NZ-O 3.11Å; K564-S679 PolarHBondContact NZ-OG 2.8Å; A675-S679 WeakPolarHBondContact O-CB 3.43Å; A675-S679 PolarHBondContact O-N 3.3Å; S676-S679 PolarHBondContact O-OG 3.37Å
680	S	55.7	Low	65.6	Low	100 Å²	100	63.7 Å²	63.7	70%	0.699	36%	0.364	S	S	*	.			trans	-70.6	128.1	178.1	45.3	0	0	0	0	110.3	R678	R678-S680 PolarHBondContact O-N 3.42Å
681	C	47.5	Very low	64.8	Low	109 Å²	109	65 Å²	65	74%	0.736	38%	0.376	S	S	*	.			trans	-96.3	70.5	163	-66.6	0	0	0	0	108.5
682	E	44.5	Very low	64.4	Low	114 Å²	114	69 Å²	69	53%	0.533	39%	0.392	S	S	.	.			trans	-136.4	123.3	174.5	-71.8	-173.7	178.9	0	0	111	N563 D684	N563-E682 PolarHBondContact ND2-OE1 2.97Å; E682-D684 PolarHBondContact O-N 2.62Å
683	N	45.2	Very low	64.1	Low	174 Å²	174	72.8 Å²	72.8	93%	0.93	41%	0.409	S	S	*	.			trans	-90.8	54.6	176.1	-81.7	-13	0	0	0	110.6
684	D	44.6	Very low	64.2	Low	109 Å²	109	73 Å²	73	58%	0.583	41%	0.406	S	S	*	.			trans	-113.6	106.5	179.2	-101.6	-11.6	0	0	0	111.5	E682 S686	E682-D684 PolarHBondContact O-N 2.62Å; D684-S686 PolarHBondContact O-N 2.67Å; D684-S686 PolarHBondContact O-OG 2.78Å
685	D	51.3	Low	64.8	Low	155 Å²	155	73.8 Å²	73.8	83%	0.829	41%	0.409	S	S	*	.			trans	-66.6	58.1	168.7	-77.8	-28.1	0	0	0	111.1
686	S	61.1	Low	65.6	Low	48 Å²	48	74.4 Å²	74.4	34%	0.336	41%	0.411	S	S	.	.			trans	-101.1	142.2	-175.2	57.4	0	0	0	0	110.5	D684 A688 L689	D684-S686 PolarHBondContact O-N 2.67Å; D684-S686 PolarHBondContact O-OG 2.78Å; S686-A688 PolarHBondContact O-N 3.18Å; S686-L689 WeakPolarHBondContact O-CB 3.39Å; S686-L689 PolarHBondContact O-N 3.32Å
687	H	61.7	Low	66.4	Low	104 Å²	104	72.6 Å²	72.6	48%	0.481	40%	0.398	S	S	.	.	H	α-helix	trans	-49.2	-28	173.9	-93.2	-74.8	0	0	0	113.5	A691 K743	H687-A691 PolarHBondContact O-N 3.13Å; H687-A691 VanDerWaalsContact O-N 3.1Å; H687-K743 VanDerWaalsContact CE1-CG 3.47Å; H687-K743 WeakPolarHBondContact CE1-CG 3.48Å
688	A	63.8	Low	67.1	Low	53 Å²	53	72.4 Å²	72.4	44%	0.438	40%	0.397	S	S	.	.	H	α-helix	trans	-68.5	-29.3	177.4	0	0	0	0	0	113.9	S686 K692	S686-A688 PolarHBondContact O-N 3.18Å; A688-K692 WeakPolarHBondContact O-CG 3.23Å; A688-K692 PolarHBondContact O-N 3.08Å
689	L	68.4	Low	67.9	Low	61 Å²	61	70.8 Å²	70.8	32%	0.319	39%	0.392	S	S	.	.	H	α-helix	trans	-72	-41	177.4	-172.6	137.1	0	0	0	111.2	S686 K692 K693	S686-L689 WeakPolarHBondContact O-CB 3.39Å; S686-L689 PolarHBondContact O-N 3.32Å; L689-K692 PolarHBondContact O-N 3.34Å; L689-K693 HydrophobicContact CD2-CD 4.31Å; L689-K693 PolarHBondContact O-N 3.01Å
690	Y	71.5	Confident	68.7	Low	60 Å²	60	69.7 Å²	69.7	24%	0.235	38%	0.382	C	S	.	.	H	α-helix	trans	-67.1	-38.9	173.6	-68.1	-76.9	0	0	0	111.7	K692 K693 L745 I748	Y690-K692 VanDerWaalsContact C-N 3.28Å; Y690-K692 PolarHBondContact O-N 3.34Å; Y690-K693 PolarHBondContact O-N 3.45Å; Y690-L745 HydrophobicContact CD1-CB 4.35Å; Y690-L745 HydrophobicContact CD1-CD1 3.66Å; Y690-L745 HydrophobicContact CD2-CB 4.41Å; Y690-L745 HydrophobicContact CD2-CD1 4.16Å; Y690-L745 HydrophobicContact CE1-CD1 3.28Å; Y690-L745 HydrophobicContact CE2-CD1 3.82Å; Y690-L745 HydrophobicContact CG-CB 4.16Å; Y690-L745 HydrophobicContact CG-CD1 4.08Å; Y690-I748 HydrophobicContact CD1-CD1 4.05Å; Y690-I748 WeakPolarHBondContact O-CD1 3.39Å
691	A	73.4	Confident	69.8	Low	40 Å²	40	65.8 Å²	65.8	33%	0.331	35%	0.353	S	S	.	.	H	α-helix	trans	-58.7	-38.6	174.8	0	0	0	0	0	112.6	H687 K693 L694 W695 A744	H687-A691 PolarHBondContact O-N 3.13Å; H687-A691 VanDerWaalsContact O-N 3.1Å; A691-K693 PolarHBondContact O-N 3.11Å; A691-L694 WeakPolarHBondContact O-CG 3.38Å; A691-L694 PolarHBondContact O-N 3.48Å; A691-W695 VanDerWaalsContact O-CZ3 3.28Å; A691-W695 WeakPolarHBondContact O-CZ3 3.23Å; A691-A744 HydrophobicContact CB-CB 4.32Å
692	K	74.9	Confident	71.1	Confident	114 Å²	114	63.8 Å²	63.8	50%	0.496	34%	0.335	S	S	.	.	H	α-helix	trans	-66.8	-20.3	176.5	-72.1	170.9	-176.5	174	0	113.9	A688 L689 Y690	A688-K692 WeakPolarHBondContact O-CG 3.23Å; A688-K692 PolarHBondContact O-N 3.08Å; L689-K692 PolarHBondContact O-N 3.34Å; Y690-K692 VanDerWaalsContact C-N 3.28Å; Y690-K692 PolarHBondContact O-N 3.34Å
693	K	81.1	Confident	72	Confident	86 Å²	86	65.9 Å²	65.9	37%	0.374	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1.1	-177.5	-75	-176.1	177.4	-170.4	0	113.8	L689 Y690 A691 W695 T696 L701 I748	L689-K693 HydrophobicContact CD2-CD 4.31Å; L689-K693 PolarHBondContact O-N 3.01Å; Y690-K693 PolarHBondContact O-N 3.45Å; A691-K693 PolarHBondContact O-N 3.11Å; K693-W695 VanDerWaalsContact C-N 3.25Å; K693-W695 PolarHBondContact O-N 3.13Å; K693-T696 WeakPolarHBondContact CA-OG1 3.4Å; K693-T696 VanDerWaalsContact O-CB 3.26Å; K693-T696 WeakPolarHBondContact O-CB 3.36Å; K693-T696 PolarHBondContact O-N 2.87Å; K693-T696 PolarHBondContact O-OG1 3.2Å; K693-L701 HydrophobicContact CB-CD2 4.3Å; K693-L701 HydrophobicContact CD-CD2 4.15Å; K693-I748 HydrophobicContact CB-CD1 3.45Å; K693-I748 VanDerWaalsContact CB-CD1 3.45Å
694	L	84.3	Confident	72.4	Confident	17 Å²	17	64.7 Å²	64.7	9%	0.089	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.3	-178.6	-70.3	172.6	0	0	0	113.8	A691 T696 P732 A744 I747 I748	A691-L694 WeakPolarHBondContact O-CG 3.38Å; A691-L694 PolarHBondContact O-N 3.48Å; L694-T696 VanDerWaalsContact C-N 3.35Å; L694-P732 HydrophobicContact CD1-CB 4.39Å; L694-P732 HydrophobicContact CD1-CG 3.88Å; L694-A744 HydrophobicContact CD1-CB 4.24Å; L694-A744 HydrophobicContact CD2-CB 4.05Å; L694-A744 HydrophobicContact CG-CB 4.24Å; L694-I747 HydrophobicContact CD2-CB 4.21Å; L694-I747 HydrophobicContact CD2-CD1 4.21Å; L694-I747 HydrophobicContact CD2-CG2 3.97Å; L694-I748 HydrophobicContact CD2-CG1 4.42Å
695	W	88.4	Confident	72.7	Confident	18 Å²	18	71 Å²	71	7%	0.068	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.1	174.9	-60.5	-93.1	0	0	0	113.1	K655 A691 K693 Y717 S718 I721 E725 P732	K655-W695 HydrophobicContact CB-CD2 3.68Å; K655-W695 HydrophobicContact CB-CE3 4.01Å; K655-W695 HydrophobicContact CB-CG 3.9Å; K655-W695 HydrophobicContact CB-CZ2 4.42Å; A691-W695 VanDerWaalsContact O-CZ3 3.28Å; A691-W695 WeakPolarHBondContact O-CZ3 3.23Å; K693-W695 VanDerWaalsContact C-N 3.25Å; K693-W695 PolarHBondContact O-N 3.13Å; W695-Y717 WeakPolarHBondContact O-CD1 3.42Å; W695-S718 WeakPolarHBondContact O-CA 3.38Å; W695-S718 PolarHBondContact O-OG 3.19Å; W695-I721 HydrophobicContact CG-CG2 4.36Å; W695-E725 PolarHBondContact NE1-OE1 2.98Å; W695-P732 HydrophobicContact CH2-CB 3.88Å; W695-P732 HydrophobicContact CH2-CG 3.68Å; W695-P732 HydrophobicContact CZ2-CB 3.35Å; W695-P732 HydrophobicContact CZ2-CG 3.62Å
696	T	87	Confident	73.1	Confident	35 Å²	35	66.6 Å²	66.6	22%	0.215	32%	0.322	C	S	.	.	S	Bend	trans	-78.1	133	-174.5	-52.9	0	0	0	0	110.9	K693 L694 L700 L701 Y717	K693-T696 WeakPolarHBondContact CA-OG1 3.4Å; K693-T696 VanDerWaalsContact O-CB 3.26Å; K693-T696 WeakPolarHBondContact O-CB 3.36Å; K693-T696 PolarHBondContact O-N 2.87Å; K693-T696 PolarHBondContact O-OG1 3.2Å; L694-T696 VanDerWaalsContact C-N 3.35Å; T696-L700 HydrophobicContact CG2-CB 3.68Å; T696-L700 HydrophobicContact CG2-CD1 4.35Å; T696-L701 HydrophobicContact CG2-CD2 3.86Å; T696-L701 HydrophobicContact CG2-CG 3.98Å; T696-Y717 WeakPolarHBondContact O-CE1 3.48Å
697	A	87.3	Confident	73.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.328	C	S	.	.			trans	-65.7	149.8	-178.2	0	0	0	0	0	113	E699 L700 L701 Y717	A697-E699 VanDerWaalsContact C-N 3.3Å; A697-E699 VanDerWaalsContact CB-CD 3.43Å; A697-E699 VanDerWaalsContact CB-OE1 3.24Å; A697-E699 WeakPolarHBondContact CB-OE1 3.1Å; A697-E699 VanDerWaalsContact CB-OE2 3.23Å; A697-E699 WeakPolarHBondContact CB-OE2 3.26Å; A697-E699 PolarHBondContact O-N 3.38Å; A697-L700 HydrophobicContact CB-CD1 4.38Å; A697-L700 HydrophobicContact CB-CG 4.46Å; A697-L700 WeakPolarHBondContact O-CB 3.18Å; A697-L700 PolarHBondContact O-N 3.41Å; A697-L701 WeakPolarHBondContact O-CG 3.32Å; A697-L701 PolarHBondContact O-N 3.46Å; A697-Y717 VanDerWaalsContact CA-CD1 3.46Å; A697-Y717 HydrophobicContact CB-CD1 3.86Å; A697-Y717 HydrophobicContact CB-CD2 4.3Å; A697-Y717 HydrophobicContact CB-CG 3.69Å
698	P	85	Confident	73.2	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-55.9	-41.6	-176.2	-23	31.2	0	0	0	113.2	L700 L701 I702 Y717 V751	P698-L700 VanDerWaalsContact C-N 3.26Å; P698-L700 PolarHBondContact O-N 3.16Å; P698-L701 WeakPolarHBondContact O-CB 3.48Å; P698-L701 PolarHBondContact O-N 3.48Å; P698-I702 WeakPolarHBondContact O-CD1 3.44Å; P698-I702 VanDerWaalsContact O-CG1 3.28Å; P698-I702 WeakPolarHBondContact O-CG1 3.4Å; P698-I702 PolarHBondContact O-N 3.16Å; P698-I702 VanDerWaalsContact O-N 3.1Å; P698-Y717 VanDerWaalsContact CD-CE2 3.49Å; P698-Y717 HydrophobicContact CG-CE2 4Å; P698-V751 HydrophobicContact CB-CG1 3.94Å; P698-V751 HydrophobicContact CG-CG1 3.72Å
699	E	83.8	Confident	73.2	Confident	33 Å²	33	70.3 Å²	70.3	15%	0.154	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-36.9	179	70.4	-78.5	-171.1	0	0	111.9	A697 L701 I702 Y703 H706 P784 R787	A697-E699 VanDerWaalsContact C-N 3.3Å; A697-E699 VanDerWaalsContact CB-CD 3.43Å; A697-E699 VanDerWaalsContact CB-OE1 3.24Å; A697-E699 WeakPolarHBondContact CB-OE1 3.1Å; A697-E699 VanDerWaalsContact CB-OE2 3.23Å; A697-E699 WeakPolarHBondContact CB-OE2 3.26Å; A697-E699 PolarHBondContact O-N 3.38Å; E699-L701 VanDerWaalsContact C-N 3.28Å; E699-L701 PolarHBondContact O-N 3.01Å; E699-I702 PolarHBondContact O-N 3.02Å; E699-Y703 WeakPolarHBondContact O-CD2 3.06Å; E699-H706 PolarHBondContact O-CE1 2.75Å; E699-H706 PolarHBondContact O-NE2 2.99Å; E699-P784 HydrophobicContact CB-CG 4.48Å; E699-P784 HydrophobicContact CG-CG 4.06Å; E699-R787 IonicContact OE1-CZ 3.5Å; E699-R787 IonicContact OE1-NH1 3.33Å; E699-R787 PolarHBondContact OE1-NH1 3.31Å; E699-R787 IonicContact OE1-NH2 2.77Å; E699-R787 IonicContact OE2-CZ 3.65Å; E699-R787 IonicContact OE2-NH1 3.61Å; E699-R787 PolarHBondContact OE2-NH1 2.95Å; E699-R787 IonicContact OE2-NH2 2.67Å; E699-R787 PolarHBondContact OE2-NH2 3.04Å
700	L	81.6	Confident	73.6	Confident	33 Å²	33	68 Å²	68	17%	0.173	33%	0.333	C	S	.	.	H	α-helix	trans	-75.1	-17.8	178.2	-63.1	178.9	0	0	0	112.9	T696 A697 P698 H706 T711	T696-L700 HydrophobicContact CG2-CB 3.68Å; T696-L700 HydrophobicContact CG2-CD1 4.35Å; A697-L700 HydrophobicContact CB-CD1 4.38Å; A697-L700 HydrophobicContact CB-CG 4.46Å; A697-L700 WeakPolarHBondContact O-CB 3.18Å; A697-L700 PolarHBondContact O-N 3.41Å; P698-L700 VanDerWaalsContact C-N 3.26Å; P698-L700 PolarHBondContact O-N 3.16Å; L700-H706 WeakPolarHBondContact CA-CE1 3.4Å; L700-H706 HydrophobicContact CD2-CB 4.24Å; L700-H706 PolarHBondContact O-CE1 2.99Å; L700-H706 PolarHBondContact O-ND1 2.99Å; L700-H706 VanDerWaalsContact O-ND1 3.1Å; L700-T711 HydrophobicContact CD2-CG2 4.17Å
701	L	79.5	Confident	74.3	Confident	19 Å²	19	67.4 Å²	67.4	10%	0.099	34%	0.336	C	S	.	.	H	α-helix	trans	-90.2	-22.6	176.5	-65.4	171.8	0	0	0	112.8	K693 T696 A697 P698 E699 I748 V751 R752	K693-L701 HydrophobicContact CB-CD2 4.3Å; K693-L701 HydrophobicContact CD-CD2 4.15Å; T696-L701 HydrophobicContact CG2-CD2 3.86Å; T696-L701 HydrophobicContact CG2-CG 3.98Å; A697-L701 WeakPolarHBondContact O-CG 3.32Å; A697-L701 PolarHBondContact O-N 3.46Å; P698-L701 WeakPolarHBondContact O-CB 3.48Å; P698-L701 PolarHBondContact O-N 3.48Å; E699-L701 VanDerWaalsContact C-N 3.28Å; E699-L701 PolarHBondContact O-N 3.01Å; L701-I748 HydrophobicContact CD1-CG2 4.26Å; L701-I748 HydrophobicContact CD2-CG2 4.26Å; L701-V751 HydrophobicContact CD1-CG1 4.28Å; L701-R752 PolarHBondContact O-NE 2.83Å
702	I	73.9	Confident	75	Confident	67 Å²	67	69.6 Å²	69.6	34%	0.344	34%	0.339	S	S	.	.	H	α-helix	trans	-80.4	-51.5	-175	-70.5	163.4	0	0	0	111.6	P698 E699 R752	P698-I702 WeakPolarHBondContact O-CD1 3.44Å; P698-I702 VanDerWaalsContact O-CG1 3.28Å; P698-I702 WeakPolarHBondContact O-CG1 3.4Å; P698-I702 PolarHBondContact O-N 3.16Å; P698-I702 VanDerWaalsContact O-N 3.1Å; E699-I702 PolarHBondContact O-N 3.02Å; I702-R752 HydrophobicContact CG1-CG 4.09Å; I702-R752 PolarHBondContact O-NH2 3.38Å
703	Y	63.7	Low	75.7	Confident	157 Å²	157	66.5 Å²	66.5	62%	0.616	33%	0.326	S	S	*	.			trans	-86.8	141.4	-178.5	-47.4	-90.7	0	0	0	113	E699 R705 H706	E699-Y703 WeakPolarHBondContact O-CD2 3.06Å; Y703-R705 VanDerWaalsContact C-N 3.34Å; Y703-R705 PolarHBondContact O-N 3.25Å; Y703-H706 VanDerWaalsContact C-CE1 3.43Å; Y703-H706 WeakPolarHBondContact CB-CE1 3.37Å; Y703-H706 WeakPolarHBondContact CB-NE2 3.35Å; Y703-H706 AromaticContact CD2-NE2 3.52Å; Y703-H706 AromaticContact CG-NE2 3.9Å; Y703-H706 PolarHBondContact N-CE1 3.36Å; Y703-H706 PolarHBondContact O-CE1 3.33Å; Y703-H706 PolarHBondContact O-ND1 3.28Å
704	D	53.2	Low	76.1	Confident	150 Å²	150	62.5 Å²	62.5	80%	0.802	31%	0.309	S	S	*	.	S	Bend	trans	-85.9	-1.2	179.8	-76.9	-33.8	0	0	0	113.8	R752	D704-R752 IonicContact OD1-NH2 2.72Å
705	R	51.9	Low	76.5	Confident	241 Å²	241	61.8 Å²	61.8	91%	0.909	31%	0.305	S	S	*	.			trans	-128.6	67.6	-177.4	-68.9	-171	-175.6	-175.9	2.7	112.7	Y703	Y703-R705 VanDerWaalsContact C-N 3.34Å; Y703-R705 PolarHBondContact O-N 3.25Å
706	H	60.5	Low	76.7	Confident	62 Å²	62	60.9 Å²	60.9	29%	0.287	30%	0.301	S	S	.	.			trans	-92.2	153.1	171.6	-62.3	107.5	0	0	0	111.9	E699 L700 Y703	E699-H706 PolarHBondContact O-CE1 2.75Å; E699-H706 PolarHBondContact O-NE2 2.99Å; L700-H706 WeakPolarHBondContact CA-CE1 3.4Å; L700-H706 HydrophobicContact CD2-CB 4.24Å; L700-H706 PolarHBondContact O-CE1 2.99Å; L700-H706 PolarHBondContact O-ND1 2.99Å; L700-H706 VanDerWaalsContact O-ND1 3.1Å; Y703-H706 VanDerWaalsContact C-CE1 3.43Å; Y703-H706 WeakPolarHBondContact CB-CE1 3.37Å; Y703-H706 WeakPolarHBondContact CB-NE2 3.35Å; Y703-H706 AromaticContact CD2-NE2 3.52Å; Y703-H706 AromaticContact CG-NE2 3.9Å; Y703-H706 PolarHBondContact N-CE1 3.36Å; Y703-H706 PolarHBondContact O-CE1 3.33Å; Y703-H706 PolarHBondContact O-ND1 3.28Å
707	P	63.4	Low	76.9	Confident	71 Å²	71	59.3 Å²	59.3	46%	0.461	29%	0.291	S	S	.	.			trans	-58.4	132.3	168.7	22.9	-30.4	0	0	0	109.3	Q709 G710	P707-Q709 PolarHBondContact O-N 2.85Å; P707-G710 PolarHBondContact O-N 3.07Å
708	P	60.1	Low	77.1	Confident	116 Å²	116	59.7 Å²	59.7	75%	0.753	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-8.2	-178.9	24.2	-33.2	0	0	0	113.7
709	Q	64	Low	77.6	Confident	96 Å²	96	59.7 Å²	59.7	45%	0.449	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.2	178.3	-66	172.4	-14.2	0	0	113.1	C650 G652 A675 P707	C650-Q709 PolarHBondContact SG-O 3.19Å; G652-Q709 VanDerWaalsContact CA-O 3.23Å; G652-Q709 WeakPolarHBondContact CA-O 3.38Å; A675-Q709 HydrophobicContact CB-CG 4.06Å; P707-Q709 PolarHBondContact O-N 2.85Å
710	G	76.2	Confident	77.9	Confident	13 Å²	13	58.1 Å²	58.1	13%	0.134	29%	0.287	C	S	.	.			trans	74.7	-164.7	-176.2	0	0	0	0	0	113.5	P707	P707-G710 PolarHBondContact O-N 3.07Å
711	T	86.9	Confident	78.3	Confident	48 Å²	48	56.5 Å²	56.5	29%	0.294	28%	0.279	S	S	.	.			trans	-134	151.3	179.8	62.9	0	0	0	0	110.9	L700 K713 G714 D715	L700-T711 HydrophobicContact CD2-CG2 4.17Å; T711-K713 VanDerWaalsContact C-N 3.29Å; T711-K713 PolarHBondContact O-N 3.47Å; T711-G714 PolarHBondContact O-N 3.35Å; T711-G714 VanDerWaalsContact O-N 3.08Å; T711-G714 PolarHBondContact OG1-N 3.38Å; T711-D715 PolarHBondContact O-N 2.89Å; T711-D715 VanDerWaalsContact O-N 3.08Å
712	Q	88.5	Confident	78.9	Confident	85 Å²	85	55.6 Å²	55.6	40%	0.397	27%	0.274	S	S	.	.	H	α-helix	trans	-56.7	-41.8	176.5	-75.1	-177.1	-9.5	0	0	112.8	Q644 G649 C650 G714 D715 V716	Q644-Q712 HydrophobicContact CG-CG 4.21Å; Q644-Q712 PolarHBondContact NE2-O 3.04Å; G649-Q712 WeakPolarHBondContact O-CG 3.35Å; G649-Q712 PolarHBondContact O-NE2 3.42Å; C650-Q712 HydrophobicContact CB-CG 4.14Å; Q712-G714 VanDerWaalsContact C-N 3.34Å; Q712-D715 WeakPolarHBondContact O-CB 3.21Å; Q712-D715 PolarHBondContact O-N 3.35Å; Q712-V716 PolarHBondContact O-N 3.47Å
713	K	90.5	Very high	79.7	Confident	50 Å²	50	52.4 Å²	52.4	22%	0.217	26%	0.257	C	S	.	.	H	α-helix	trans	-74.3	-23.7	178	-61.7	-60.3	-163.6	177	0	113.1	T711 V716 Y717 P784 R787 D789	T711-K713 VanDerWaalsContact C-N 3.29Å; T711-K713 PolarHBondContact O-N 3.47Å; K713-V716 PolarHBondContact O-N 3.41Å; K713-Y717 PolarHBondContact O-N 2.91Å; K713-P784 HydrophobicContact CB-CB 3.92Å; K713-P784 WeakPolarHBondContact CD-O 3.44Å; K713-P784 WeakPolarHBondContact CE-O 3.17Å; K713-P784 HydrophobicContact CG-CB 4.29Å; K713-P784 WeakPolarHBondContact CG-O 3.32Å; K713-R787 HydrophobicContact CD-CB 4.39Å; K713-R787 PolarHBondContact NZ-O 3.39Å; K713-R787 PolarHBondContact O-NH1 2.8Å; K713-D789 WeakPolarHBondContact CE-OD1 2.88Å; K713-D789 IonicContact NZ-OD1 2.87Å; K713-D789 PolarHBondContact NZ-OD1 2.97Å; K713-D789 IonicContact NZ-OD2 3.2Å
714	G	89	Confident	80.8	Confident	2 Å²	2	45 Å²	45	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-71.1	-34.8	170.9	0	0	0	0	0	112.4	T711 Q712 V716 Y717 S718	T711-G714 PolarHBondContact O-N 3.35Å; T711-G714 VanDerWaalsContact O-N 3.08Å; T711-G714 PolarHBondContact OG1-N 3.38Å; Q712-G714 VanDerWaalsContact C-N 3.34Å; G714-V716 VanDerWaalsContact C-N 3.34Å; G714-Y717 PolarHBondContact O-N 3.36Å; G714-S718 PolarHBondContact O-N 2.91Å; G714-S718 PolarHBondContact O-OG 3.46Å
715	D	91.1	Very high	82.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-35.8	172.7	-71.3	-26.9	0	0	0	112.1	M640 C650 H651 G652 T711 Q712 S718 F719 F790	M640-D715 HydrophobicContact CE-CB 3.69Å; M640-D715 WeakPolarHBondContact CE-OD2 3.21Å; C650-D715 WeakPolarHBondContact CA-OD2 3.43Å; C650-D715 WeakPolarHBondContact CB-OD2 3.31Å; H651-D715 PolarHBondContact N-OD2 3.22Å; G652-D715 PolarHBondContact N-OD1 2.96Å; T711-D715 PolarHBondContact O-N 2.89Å; T711-D715 VanDerWaalsContact O-N 3.08Å; Q712-D715 WeakPolarHBondContact O-CB 3.21Å; Q712-D715 PolarHBondContact O-N 3.35Å; D715-S718 WeakPolarHBondContact O-CB 3.46Å; D715-S718 PolarHBondContact O-N 3.46Å; D715-F719 WeakPolarHBondContact O-CB 3.47Å; D715-F719 PolarHBondContact O-N 3.17Å; D715-F790 HydrophobicContact CB-CE2 4.3Å
716	V	92.7	Very high	84.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-41.7	174.9	176.6	0	0	0	0	111.1	Q712 K713 G714 F719 G720 C779 R787 P788 F790 I793	Q712-V716 PolarHBondContact O-N 3.47Å; K713-V716 PolarHBondContact O-N 3.41Å; G714-V716 VanDerWaalsContact C-N 3.34Å; V716-F719 WeakPolarHBondContact O-CB 3.3Å; V716-F719 PolarHBondContact O-N 2.73Å; V716-G720 PolarHBondContact O-N 3.41Å; V716-C779 HydrophobicContact CG1-CB 4.09Å; V716-R787 HydrophobicContact CG1-CB 4.01Å; V716-P788 WeakPolarHBondContact CG1-O 3.45Å; V716-P788 WeakPolarHBondContact CG2-O 3.39Å; V716-F790 HydrophobicContact CG2-CD2 3.92Å; V716-F790 HydrophobicContact CG2-CE2 3.65Å; V716-F790 HydrophobicContact CG2-CZ 4.44Å; V716-I793 HydrophobicContact CG1-CD1 4.21Å
717	Y	92.3	Very high	85.4	Confident	1 Å²	1	23.9 Å²	23.9	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-46.1	173.2	179.8	-82.6	0	0	0	111.5	W695 T696 A697 P698 K713 G714 F719 G720 I721 C779 W780	W695-Y717 WeakPolarHBondContact O-CD1 3.42Å; T696-Y717 WeakPolarHBondContact O-CE1 3.48Å; A697-Y717 VanDerWaalsContact CA-CD1 3.46Å; A697-Y717 HydrophobicContact CB-CD1 3.86Å; A697-Y717 HydrophobicContact CB-CD2 4.3Å; A697-Y717 HydrophobicContact CB-CG 3.69Å; P698-Y717 VanDerWaalsContact CD-CE2 3.49Å; P698-Y717 HydrophobicContact CG-CE2 4Å; K713-Y717 PolarHBondContact O-N 2.91Å; G714-Y717 PolarHBondContact O-N 3.36Å; Y717-F719 PolarHBondContact O-N 3.21Å; Y717-G720 PolarHBondContact O-N 3.14Å; Y717-I721 HydrophobicContact CD1-CG1 4.34Å; Y717-I721 HydrophobicContact CE1-CD1 4.25Å; Y717-I721 HydrophobicContact CE1-CG1 3.93Å; Y717-I721 PolarHBondContact O-N 3.28Å; Y717-C779 WeakPolarHBondContact CA-O 3.44Å; Y717-W780 HydrophobicContact CD2-CB 3.81Å; Y717-W780 HydrophobicContact CE2-CB 3.73Å
718	S	92.2	Very high	86.2	Confident	8 Å²	8	21.9 Å²	21.9	6%	0.056	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-40.1	177.7	-53.3	0	0	0	0	111.3	L654 W695 G714 D715 I721 I722	L654-S718 WeakPolarHBondContact O-CB 3.35Å; W695-S718 WeakPolarHBondContact O-CA 3.38Å; W695-S718 PolarHBondContact O-OG 3.19Å; G714-S718 PolarHBondContact O-N 2.91Å; G714-S718 PolarHBondContact O-OG 3.46Å; D715-S718 WeakPolarHBondContact O-CB 3.46Å; D715-S718 PolarHBondContact O-N 3.46Å; S718-I721 PolarHBondContact O-N 3.05Å; S718-I722 WeakPolarHBondContact O-CG1 3.08Å; S718-I722 PolarHBondContact O-N 3.21Å
719	F	93.8	Very high	87.2	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.7	-39.2	174.2	175.1	-106.9	0	0	0	112.7	I633 I636 V637 L654 D715 V716 Y717 I721 I722 L723 F790 I793	I633-F719 HydrophobicContact CG2-CE2 4.43Å; I633-F719 HydrophobicContact CG2-CZ 4Å; I636-F719 HydrophobicContact CB-CD2 4.48Å; I636-F719 HydrophobicContact CB-CE2 4.13Å; I636-F719 HydrophobicContact CG2-CD2 3.64Å; I636-F719 HydrophobicContact CG2-CE2 3.76Å; V637-F719 HydrophobicContact CG2-CE1 4.23Å; V637-F719 HydrophobicContact CG2-CE2 3.89Å; V637-F719 HydrophobicContact CG2-CZ 3.45Å; V637-F719 VanDerWaalsContact CG2-CZ 3.45Å; L654-F719 HydrophobicContact CD2-CB 4.25Å; D715-F719 WeakPolarHBondContact O-CB 3.47Å; D715-F719 PolarHBondContact O-N 3.17Å; V716-F719 WeakPolarHBondContact O-CB 3.3Å; V716-F719 PolarHBondContact O-N 2.73Å; Y717-F719 PolarHBondContact O-N 3.21Å; F719-I721 VanDerWaalsContact C-N 3.31Å; F719-I721 PolarHBondContact O-N 2.99Å; F719-I722 PolarHBondContact O-N 3.06Å; F719-I722 VanDerWaalsContact O-N 3.14Å; F719-L723 HydrophobicContact CD1-CD1 4.05Å; F719-L723 HydrophobicContact CD1-CG 4.21Å; F719-L723 HydrophobicContact CE1-CD1 3.55Å; F719-L723 HydrophobicContact CE1-CD2 4.1Å; F719-L723 HydrophobicContact CE1-CG 3.82Å; F719-L723 HydrophobicContact CE2-CD2 4.04Å; F719-L723 HydrophobicContact CE2-CG 4.24Å; F719-L723 HydrophobicContact CZ-CD1 4Å; F719-L723 HydrophobicContact CZ-CD2 3.64Å; F719-L723 HydrophobicContact CZ-CG 3.85Å; F719-L723 WeakPolarHBondContact O-CG 3.11Å; F719-L723 PolarHBondContact O-N 3.22Å; F719-F790 HydrophobicContact CB-CE1 4.13Å; F719-F790 HydrophobicContact CB-CZ 3.85Å; F719-F790 HydrophobicContact CD1-CE1 4.13Å; F719-F790 HydrophobicContact CD2-CE1 4.1Å; F719-F790 AromaticContact CG-CE1 3.86Å; F719-F790 HydrophobicContact CG-CE1 3.86Å; F719-F790 HydrophobicContact CG-CZ 4.11Å; F719-I793 HydrophobicContact CD1-CD1 4.23Å; F719-I793 HydrophobicContact CE1-CD1 4.25Å; F719-I793 HydrophobicContact CE1-CG2 3.92Å; F719-I793 HydrophobicContact CZ-CG2 4.36Å
720	G	91.1	Very high	87.9	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-39.3	174.2	0	0	0	0	0	113.3	V716 Y717 L723 Q724	V716-G720 PolarHBondContact O-N 3.41Å; Y717-G720 PolarHBondContact O-N 3.14Å; G720-L723 PolarHBondContact O-N 3.17Å; G720-Q724 PolarHBondContact O-N 2.95Å
721	I	90.4	Very high	87.8	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.4	-41	174.3	-56.4	-58.7	0	0	0	111.4	W695 Y717 S718 F719 L723 Q724 E725 F733 P761 W780	W695-I721 HydrophobicContact CG-CG2 4.36Å; Y717-I721 HydrophobicContact CD1-CG1 4.34Å; Y717-I721 HydrophobicContact CE1-CD1 4.25Å; Y717-I721 HydrophobicContact CE1-CG1 3.93Å; Y717-I721 PolarHBondContact O-N 3.28Å; S718-I721 PolarHBondContact O-N 3.05Å; F719-I721 VanDerWaalsContact C-N 3.31Å; F719-I721 PolarHBondContact O-N 2.99Å; I721-L723 VanDerWaalsContact C-N 3.33Å; I721-L723 PolarHBondContact O-N 2.89Å; I721-Q724 WeakPolarHBondContact O-CB 3.26Å; I721-Q724 PolarHBondContact O-N 3.45Å; I721-E725 PolarHBondContact O-N 3.1Å; I721-E725 VanDerWaalsContact O-N 3.08Å; I721-F733 HydrophobicContact CD1-CD2 3.79Å; I721-F733 HydrophobicContact CD1-CE2 4.15Å; I721-P761 HydrophobicContact CD1-CG 3.66Å; I721-W780 HydrophobicContact CD1-CE3 4.03Å
722	I	91.6	Very high	87.5	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.1	-37.1	176.9	-64.4	167	0	0	0	111.4	L613 I636 L654 S718 F719 Q724 E725 I726	L613-I722 HydrophobicContact CD2-CG2 3.78Å; I636-I722 HydrophobicContact CD1-CG2 3.99Å; L654-I722 HydrophobicContact CD2-CD1 4.28Å; L654-I722 HydrophobicContact CG-CD1 3.89Å; S718-I722 WeakPolarHBondContact O-CG1 3.08Å; S718-I722 PolarHBondContact O-N 3.21Å; F719-I722 PolarHBondContact O-N 3.06Å; F719-I722 VanDerWaalsContact O-N 3.14Å; I722-Q724 VanDerWaalsContact C-N 3.27Å; I722-Q724 PolarHBondContact O-N 3.39Å; I722-E725 WeakPolarHBondContact O-CB 3.41Å; I722-E725 PolarHBondContact O-N 2.87Å; I722-I726 HydrophobicContact CG2-CD1 3.98Å; I722-I726 HydrophobicContact CG2-CG1 4.39Å; I722-I726 WeakPolarHBondContact O-CG1 3.41Å; I722-I726 PolarHBondContact O-N 3.43Å
723	L	90.1	Very high	87	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.2	-42.8	174.3	-75.3	-176.9	0	0	0	111.1	I633 F719 G720 I721 I726 A727 L772 L775 M776	I633-L723 HydrophobicContact CB-CD2 4.35Å; I633-L723 HydrophobicContact CD1-CD2 3.87Å; I633-L723 HydrophobicContact CG1-CD2 3.77Å; I633-L723 HydrophobicContact CG2-CD2 3.65Å; F719-L723 HydrophobicContact CD1-CD1 4.05Å; F719-L723 HydrophobicContact CD1-CG 4.21Å; F719-L723 HydrophobicContact CE1-CD1 3.55Å; F719-L723 HydrophobicContact CE1-CD2 4.1Å; F719-L723 HydrophobicContact CE1-CG 3.82Å; F719-L723 HydrophobicContact CE2-CD2 4.04Å; F719-L723 HydrophobicContact CE2-CG 4.24Å; F719-L723 HydrophobicContact CZ-CD1 4Å; F719-L723 HydrophobicContact CZ-CD2 3.64Å; F719-L723 HydrophobicContact CZ-CG 3.85Å; F719-L723 WeakPolarHBondContact O-CG 3.11Å; F719-L723 PolarHBondContact O-N 3.22Å; G720-L723 PolarHBondContact O-N 3.17Å; I721-L723 VanDerWaalsContact C-N 3.33Å; I721-L723 PolarHBondContact O-N 2.89Å; L723-I726 PolarHBondContact O-N 2.86Å; L723-A727 WeakPolarHBondContact O-CB 3.12Å; L723-A727 PolarHBondContact O-N 2.88Å; L723-L772 HydrophobicContact CD2-CD1 4.45Å; L723-L775 HydrophobicContact CD1-CD2 4.06Å; L723-L775 HydrophobicContact CD1-CG 4.14Å; L723-M776 HydrophobicContact CB-CE 3.92Å; L723-M776 HydrophobicContact CB-CG 3.77Å; L723-M776 HydrophobicContact CB-SD 4.41Å; L723-M776 HydrophobicContact CD1-CG 4.04Å; L723-M776 VanDerWaalsContact O-CE 3.31Å; L723-M776 WeakPolarHBondContact O-CE 3.34Å
724	Q	88.4	Confident	86.5	Confident	2 Å²	2	17 Å²	17	1%	0.009	9%	0.094	C	C	.	.	H	α-helix	trans	-61.8	-45.4	175.1	-164.9	-154.3	22.9	0	0	111.7	G720 I721 I722 I726 A727 L728 Y734 P761 T762 W780	G720-Q724 PolarHBondContact O-N 2.95Å; I721-Q724 WeakPolarHBondContact O-CB 3.26Å; I721-Q724 PolarHBondContact O-N 3.45Å; I722-Q724 VanDerWaalsContact C-N 3.27Å; I722-Q724 PolarHBondContact O-N 3.39Å; Q724-I726 VanDerWaalsContact C-N 3.29Å; Q724-I726 PolarHBondContact O-N 3.26Å; Q724-A727 PolarHBondContact O-N 3.17Å; Q724-L728 HydrophobicContact CG-CD1 3.92Å; Q724-L728 HydrophobicContact CG-CG 4.45Å; Q724-L728 PolarHBondContact O-N 2.82Å; Q724-Y734 PolarHBondContact NE2-O 3.43Å; Q724-P761 HydrophobicContact CG-CB 4.42Å; Q724-T762 PolarHBondContact NE2-O 3.31Å; Q724-W780 HydrophobicContact CB-CZ3 4.31Å
725	E	88.4	Confident	86	Confident	5 Å²	5	18.3 Å²	18.3	2%	0.023	10%	0.101	C	C	.	.	H	α-helix	trans	-57.2	-42.4	176.6	-70.8	176.4	-95	0	0	111.5	L617 S656 W695 I721 I722 R729 P732	L617-E725 HydrophobicContact CD1-CB 3.88Å; S656-E725 WeakPolarHBondContact CB-OE2 3.38Å; S656-E725 PolarHBondContact OG-OE1 3.18Å; S656-E725 PolarHBondContact OG-OE2 3.19Å; W695-E725 PolarHBondContact NE1-OE1 2.98Å; I721-E725 PolarHBondContact O-N 3.1Å; I721-E725 VanDerWaalsContact O-N 3.08Å; I722-E725 WeakPolarHBondContact O-CB 3.41Å; I722-E725 PolarHBondContact O-N 2.87Å; E725-R729 WeakPolarHBondContact O-CA 3.36Å; E725-R729 PolarHBondContact O-N 2.86Å; E725-P732 HydrophobicContact CG-CB 4.43Å
726	I	88.1	Confident	84.9	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-69.4	-37.7	178	-65	169.5	0	0	0	111.7	L613 L617 R629 I633 I636 I722 L723 Q724	L613-I726 HydrophobicContact CD2-CD1 3.98Å; L613-I726 HydrophobicContact CD2-CG1 4.12Å; L617-I726 HydrophobicContact CD1-CG1 4.37Å; R629-I726 HydrophobicContact CB-CG2 3.76Å; R629-I726 HydrophobicContact CG-CG2 3.93Å; R629-I726 PolarHBondContact NH1-O 3.14Å; I633-I726 HydrophobicContact CD1-CG2 4.14Å; I633-I726 HydrophobicContact CG1-CD1 3.74Å; I633-I726 HydrophobicContact CG1-CG2 4.27Å; I636-I726 HydrophobicContact CD1-CD1 4.21Å; I722-I726 HydrophobicContact CG2-CD1 3.98Å; I722-I726 HydrophobicContact CG2-CG1 4.39Å; I722-I726 WeakPolarHBondContact O-CG1 3.41Å; I722-I726 PolarHBondContact O-N 3.43Å; L723-I726 PolarHBondContact O-N 2.86Å; Q724-I726 VanDerWaalsContact C-N 3.29Å; Q724-I726 PolarHBondContact O-N 3.26Å
727	A	84.4	Confident	83.5	Confident	3 Å²	3	27.8 Å²	27.8	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-75.5	-44.8	-175.6	0	0	0	0	0	112.6	W626 R629 L723 Q724 H768 L772 M776	W626-A727 HydrophobicContact CH2-CB 4.3Å; W626-A727 HydrophobicContact CZ2-CB 4.47Å; R629-A727 PolarHBondContact NH1-O 3.35Å; L723-A727 WeakPolarHBondContact O-CB 3.12Å; L723-A727 PolarHBondContact O-N 2.88Å; Q724-A727 PolarHBondContact O-N 3.17Å; A727-H768 HydrophobicContact CB-CB 4.23Å; A727-L772 HydrophobicContact CB-CD2 4.36Å; A727-M776 HydrophobicContact CB-CE 3.43Å; A727-M776 VanDerWaalsContact CB-CE 3.43Å
728	L	81.4	Confident	82.1	Confident	29 Å²	29	31.3 Å²	31.3	15%	0.152	18%	0.183	C	C	.	.	H	α-helix	trans	-96.3	-13.2	-175.7	-61	-179.4	0	0	0	113.7	Q724 N730 Y734 D764 C767	Q724-L728 HydrophobicContact CG-CD1 3.92Å; Q724-L728 HydrophobicContact CG-CG 4.45Å; Q724-L728 PolarHBondContact O-N 2.82Å; L728-N730 HydrophobicContact CB-CB 4.4Å; L728-N730 PolarHBondContact O-N 2.93Å; L728-N730 VanDerWaalsContact O-N 3.14Å; L728-Y734 HydrophobicContact CD1-CD1 3.79Å; L728-Y734 HydrophobicContact CD1-CE1 4.43Å; L728-D764 HydrophobicContact CD2-CB 4.35Å; L728-C767 HydrophobicContact CD2-CB 4.26Å
729	R	81.1	Confident	79.8	Confident	68 Å²	68	38.2 Å²	38.2	26%	0.257	22%	0.219	S	C	.	.			trans	52	32.6	-175.2	-156.7	-164.6	-174	152.5	15	113	L617 N619 I622 E725	L617-R729 HydrophobicContact CD2-CG 4.47Å; L617-R729 VanDerWaalsContact O-CG 3.27Å; L617-R729 WeakPolarHBondContact O-CG 3.43Å; L617-R729 PolarHBondContact O-NE 2.97Å; N619-R729 VanDerWaalsContact C-NH2 3.32Å; N619-R729 PolarHBondContact O-NH2 2.87Å; I622-R729 PolarHBondContact O-NH1 2.93Å; I622-R729 PolarHBondContact O-NH2 2.75Å; E725-R729 WeakPolarHBondContact O-CA 3.36Å; E725-R729 PolarHBondContact O-N 2.86Å
730	N	77.4	Confident	77.6	Confident	70 Å²	70	46.1 Å²	46.1	37%	0.374	26%	0.26	S	S	.	.	S	Bend	trans	-109.5	169.4	176	-77.4	-36.4	0	0	0	109.9	L728 Y734	L728-N730 HydrophobicContact CB-CB 4.4Å; L728-N730 PolarHBondContact O-N 2.93Å; L728-N730 VanDerWaalsContact O-N 3.14Å; N730-Y734 HydrophobicContact CB-CD1 4.42Å; N730-Y734 HydrophobicContact CB-CD2 3.81Å; N730-Y734 HydrophobicContact CB-CE2 4.45Å; N730-Y734 HydrophobicContact CB-CG 3.79Å
731	G	74.5	Confident	75.5	Confident	47 Å²	47	51.4 Å²	51.4	49%	0.485	30%	0.298	S	S	.	.	S	Bend	trans	-58.3	164.8	175.7	0	0	0	0	0	113.2
732	P	81.1	Confident	73.7	Confident	31 Å²	31	53.2 Å²	53.2	20%	0.201	31%	0.309	C	S	.	.	S	Bend	trans	-61.5	139.5	-176.4	26.7	-36.2	0	0	0	111.9	L694 W695 E725	L694-P732 HydrophobicContact CD1-CB 4.39Å; L694-P732 HydrophobicContact CD1-CG 3.88Å; W695-P732 HydrophobicContact CH2-CB 3.88Å; W695-P732 HydrophobicContact CH2-CG 3.68Å; W695-P732 HydrophobicContact CZ2-CB 3.35Å; W695-P732 HydrophobicContact CZ2-CG 3.62Å; E725-P732 HydrophobicContact CG-CB 4.43Å
733	F	78.3	Confident	72.5	Confident	7 Å²	7	59.4 Å²	59.4	3%	0.031	34%	0.336	C	S	.	.	S	Bend	trans	58.2	54.4	-179.8	-149.6	-72.7	0	0	0	111.9	I721 V735 I747 V751 F759 P761	I721-F733 HydrophobicContact CD1-CD2 3.79Å; I721-F733 HydrophobicContact CD1-CE2 4.15Å; F733-V735 HydrophobicContact CD1-CG2 4.28Å; F733-V735 HydrophobicContact CE1-CG2 4.35Å; F733-I747 HydrophobicContact CD1-CD1 4.47Å; F733-I747 HydrophobicContact CD1-CG2 3.6Å; F733-I747 HydrophobicContact CD2-CG2 4.31Å; F733-I747 HydrophobicContact CE1-CG2 3.78Å; F733-I747 HydrophobicContact CE2-CG2 4.45Å; F733-I747 HydrophobicContact CG-CG2 3.91Å; F733-I747 HydrophobicContact CZ-CG2 4.2Å; F733-V751 HydrophobicContact CE2-CG2 4.06Å; F733-V751 HydrophobicContact CZ-CG2 3.77Å; F733-F759 HydrophobicContact CD1-CE1 4.36Å; F733-F759 AromaticContact CE1-CD1 3.76Å; F733-F759 HydrophobicContact CE1-CD1 3.76Å; F733-F759 AromaticContact CE1-CE1 3.52Å; F733-F759 HydrophobicContact CE1-CE1 3.52Å; F733-F759 HydrophobicContact CE1-CZ 4.36Å; F733-F759 HydrophobicContact CZ-CD1 4.01Å; F733-F759 HydrophobicContact CZ-CE1 4.24Å; F733-P761 HydrophobicContact CD1-CB 4.48Å; F733-P761 HydrophobicContact CD1-CG 4.09Å; F733-P761 HydrophobicContact CD2-CG 3.78Å; F733-P761 HydrophobicContact CE1-CG 4.09Å; F733-P761 HydrophobicContact CE2-CG 3.79Å; F733-P761 HydrophobicContact CG-CG 3.93Å; F733-P761 HydrophobicContact CZ-CG 3.95Å
734	Y	78.7	Confident	71.5	Confident	82 Å²	82	60 Å²	60	32%	0.322	34%	0.341	S	S	.	.			trans	-73.8	136.8	-179.7	175.4	-101.7	0	0	0	111.6	Q724 L728 N730 E736 P761 T762	Q724-Y734 PolarHBondContact NE2-O 3.43Å; L728-Y734 HydrophobicContact CD1-CD1 3.79Å; L728-Y734 HydrophobicContact CD1-CE1 4.43Å; N730-Y734 HydrophobicContact CB-CD1 4.42Å; N730-Y734 HydrophobicContact CB-CD2 3.81Å; N730-Y734 HydrophobicContact CB-CE2 4.45Å; N730-Y734 HydrophobicContact CB-CG 3.79Å; Y734-E736 HydrophobicContact CE1-CB 4.33Å; Y734-P761 WeakPolarHBondContact O-CA 3.44Å; Y734-T762 PolarHBondContact O-N 3.1Å
735	V	78.6	Confident	70.7	Confident	29 Å²	29	62.2 Å²	62.2	18%	0.176	35%	0.353	C	S	.	.			trans	-131.6	122.1	175.3	-174.2	0	0	0	0	110.2	F733 M738 F759 T762	F733-V735 HydrophobicContact CD1-CG2 4.28Å; F733-V735 HydrophobicContact CE1-CG2 4.35Å; V735-M738 HydrophobicContact CB-CE 4.04Å; V735-M738 HydrophobicContact CG1-CE 3.68Å; V735-M738 HydrophobicContact CG2-CE 4.48Å; V735-F759 HydrophobicContact CG2-CZ 4.1Å; V735-T762 VanDerWaalsContact CA-OG1 3.31Å; V735-T762 WeakPolarHBondContact CA-OG1 3.25Å
736	E	69.1	Low	70.1	Confident	126 Å²	126	66 Å²	66	59%	0.589	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	135.3	-178	-170.6	178.5	-167.9	0	0	111.7	Y734 T762	Y734-E736 HydrophobicContact CE1-CB 4.33Å; E736-T762 HydrophobicContact CB-CG2 3.8Å; E736-T762 PolarHBondContact N-OG1 3.34Å
737	G	61.9	Low	69.6	Low	74 Å²	74	66.5 Å²	66.5	76%	0.763	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-0.6	-179.7	0	0	0	0	0	115.8
738	M	63.7	Low	69.3	Low	75 Å²	75	67 Å²	67	37%	0.369	38%	0.375	S	S	.	.			trans	-96.6	77.5	167.2	-97	-170.9	-94.1	0	0	110.7	V735 L740 P742 F759	V735-M738 HydrophobicContact CB-CE 4.04Å; V735-M738 HydrophobicContact CG1-CE 3.68Å; V735-M738 HydrophobicContact CG2-CE 4.48Å; M738-L740 PolarHBondContact O-N 2.76Å; M738-P742 HydrophobicContact SD-CG 4.11Å; M738-F759 HydrophobicContact CE-CE2 3.96Å; M738-F759 HydrophobicContact CE-CZ 3.84Å
739	D	44.8	Very low	69.2	Low	153 Å²	153	70.3 Å²	70.3	82%	0.818	39%	0.39	S	S	*	.			trans	-78.7	111.4	171.6	-84.3	-25.3	0	0	0	110.6
740	L	46.8	Very low	69.1	Low	166 Å²	166	70.1 Å²	70.1	87%	0.869	39%	0.391	S	S	*	.	S	Bend	trans	122.6	93.4	176.9	-73.6	150.1	0	0	0	108.2	M738	M738-L740 PolarHBondContact O-N 2.76Å
741	S	47.1	Very low	69.3	Low	112 Å²	112	67.1 Å²	67.1	78%	0.783	38%	0.375	S	S	*	.			trans	-6.6	96.3	168.8	171.3	0	0	0	0	112.4	K743	S741-K743 PolarHBondContact O-N 3.21Å
742	P	53.1	Low	69.6	Low	38 Å²	38	70 Å²	70	25%	0.247	37%	0.371	C	S	.	.			trans	-56.7	126	171.3	-15.3	25.9	0	0	0	105.4	M738 A744 I747	M738-P742 HydrophobicContact SD-CG 4.11Å; P742-A744 PolarHBondContact O-N 3.41Å; P742-I747 HydrophobicContact CB-CD1 3.87Å; P742-I747 HydrophobicContact CB-CG1 3.73Å; P742-I747 HydrophobicContact CG-CD1 4.1Å; P742-I747 HydrophobicContact CG-CG1 4.34Å
743	K	65.9	Low	69.5	Low	129 Å²	129	73.8 Å²	73.8	56%	0.561	39%	0.39	S	S	*	.			trans	-50.3	121.3	173.6	-77.5	175	168.8	-177.1	0	105.4	H687 S741 L745 E746	H687-K743 VanDerWaalsContact CE1-CG 3.47Å; H687-K743 WeakPolarHBondContact CE1-CG 3.48Å; S741-K743 PolarHBondContact O-N 3.21Å; K743-L745 HydrophobicContact CB-CB 4.5Å; K743-L745 CarbonylContact O-C 3.55Å; K743-L745 PolarHBondContact O-N 3.5Å; K743-E746 WeakPolarHBondContact O-CB 3.34Å; K743-E746 PolarHBondContact O-N 3.48Å
744	A	68.2	Low	69.2	Low	13 Å²	13	74.8 Å²	74.8	11%	0.107	40%	0.403	C	S	.	.	H	α-helix	trans	-46.9	-27.1	-175.6	0	0	0	0	0	113.5	A691 L694 P742 I748	A691-A744 HydrophobicContact CB-CB 4.32Å; L694-A744 HydrophobicContact CD1-CB 4.24Å; L694-A744 HydrophobicContact CD2-CB 4.05Å; L694-A744 HydrophobicContact CG-CB 4.24Å; P742-A744 PolarHBondContact O-N 3.41Å; A744-I748 WeakPolarHBondContact O-CB 3.41Å; A744-I748 WeakPolarHBondContact O-CD1 3.4Å; A744-I748 VanDerWaalsContact O-CG1 3.27Å; A744-I748 WeakPolarHBondContact O-CG1 3.4Å; A744-I748 PolarHBondContact O-N 3.16Å; A744-I748 VanDerWaalsContact O-N 3.09Å
745	L	73	Confident	68.9	Low	48 Å²	48	77 Å²	77	25%	0.251	42%	0.416	S	S	.	.	H	α-helix	trans	-52.3	-49.6	167.6	179.6	64	0	0	0	114.8	Y690 K743 I748 Q749	Y690-L745 HydrophobicContact CD1-CB 4.35Å; Y690-L745 HydrophobicContact CD1-CD1 3.66Å; Y690-L745 HydrophobicContact CD2-CB 4.41Å; Y690-L745 HydrophobicContact CD2-CD1 4.16Å; Y690-L745 HydrophobicContact CE1-CD1 3.28Å; Y690-L745 HydrophobicContact CE2-CD1 3.82Å; Y690-L745 HydrophobicContact CG-CB 4.16Å; Y690-L745 HydrophobicContact CG-CD1 4.08Å; K743-L745 HydrophobicContact CB-CB 4.5Å; K743-L745 CarbonylContact O-C 3.55Å; K743-L745 PolarHBondContact O-N 3.5Å; L745-I748 PolarHBondContact O-N 3.29Å; L745-Q749 HydrophobicContact CD1-CG 4.36Å; L745-Q749 WeakPolarHBondContact O-CB 3.43Å; L745-Q749 VanDerWaalsContact O-CG 3.28Å; L745-Q749 WeakPolarHBondContact O-CG 3.41Å; L745-Q749 PolarHBondContact O-N 3.49Å
746	E	75.2	Confident	68.5	Low	84 Å²	84	83.7 Å²	83.7	39%	0.393	44%	0.442	S	S	.	.	H	α-helix	trans	-67.9	-40.8	-176.8	-166.9	-171.1	152.3	0	0	111.7	K743 Q749 K750	K743-E746 WeakPolarHBondContact O-CB 3.34Å; K743-E746 PolarHBondContact O-N 3.48Å; E746-Q749 PolarHBondContact O-N 3.34Å; E746-K750 HydrophobicContact CG-CD 4.48Å; E746-K750 WeakPolarHBondContact O-CB 3.39Å; E746-K750 WeakPolarHBondContact O-CG 3.36Å; E746-K750 PolarHBondContact O-N 2.97Å; E746-K750 WeakPolarHBondContact OE1-CE 3.48Å; E746-K750 IonicContact OE1-NZ 3.94Å; E746-K750 PolarHBondContact OE1-NZ 3.08Å
747	I	77.4	Confident	68.8	Low	13 Å²	13	83.8 Å²	83.8	7%	0.067	45%	0.454	C	S	.	.	H	α-helix	trans	-58.1	-52.3	173.1	-62.4	180	0	0	0	109.2	L694 F733 P742 Q749 K750 V751 F759	L694-I747 HydrophobicContact CD2-CB 4.21Å; L694-I747 HydrophobicContact CD2-CD1 4.21Å; L694-I747 HydrophobicContact CD2-CG2 3.97Å; F733-I747 HydrophobicContact CD1-CD1 4.47Å; F733-I747 HydrophobicContact CD1-CG2 3.6Å; F733-I747 HydrophobicContact CD2-CG2 4.31Å; F733-I747 HydrophobicContact CE1-CG2 3.78Å; F733-I747 HydrophobicContact CE2-CG2 4.45Å; F733-I747 HydrophobicContact CG-CG2 3.91Å; F733-I747 HydrophobicContact CZ-CG2 4.2Å; P742-I747 HydrophobicContact CB-CD1 3.87Å; P742-I747 HydrophobicContact CB-CG1 3.73Å; P742-I747 HydrophobicContact CG-CD1 4.1Å; P742-I747 HydrophobicContact CG-CG1 4.34Å; I747-Q749 VanDerWaalsContact C-N 3.3Å; I747-Q749 PolarHBondContact O-N 3.41Å; I747-K750 PolarHBondContact O-N 3.47Å; I747-K750 VanDerWaalsContact O-N 3.17Å; I747-V751 HydrophobicContact CG2-CG2 4.43Å; I747-V751 WeakPolarHBondContact O-CG2 3.47Å; I747-V751 PolarHBondContact O-N 2.95Å; I747-F759 HydrophobicContact CG2-CE1 4.13Å
748	I	78.9	Confident	69.7	Low	13 Å²	13	84.7 Å²	84.7	7%	0.067	44%	0.435	C	S	.	.	H	α-helix	trans	-62	-38.7	-178.9	-73.2	169.2	0	0	0	111.5	Y690 K693 L694 L701 A744 L745 V751 R752	Y690-I748 HydrophobicContact CD1-CD1 4.05Å; Y690-I748 WeakPolarHBondContact O-CD1 3.39Å; K693-I748 HydrophobicContact CB-CD1 3.45Å; K693-I748 VanDerWaalsContact CB-CD1 3.45Å; L694-I748 HydrophobicContact CD2-CG1 4.42Å; L701-I748 HydrophobicContact CD1-CG2 4.26Å; L701-I748 HydrophobicContact CD2-CG2 4.26Å; A744-I748 WeakPolarHBondContact O-CB 3.41Å; A744-I748 WeakPolarHBondContact O-CD1 3.4Å; A744-I748 VanDerWaalsContact O-CG1 3.27Å; A744-I748 WeakPolarHBondContact O-CG1 3.4Å; A744-I748 PolarHBondContact O-N 3.16Å; A744-I748 VanDerWaalsContact O-N 3.09Å; L745-I748 PolarHBondContact O-N 3.29Å; I748-V751 PolarHBondContact O-N 3.24Å; I748-R752 WeakPolarHBondContact O-CB 3.4Å; I748-R752 PolarHBondContact O-N 3.45Å
749	Q	78.6	Confident	70.6	Confident	99 Å²	99	83.3 Å²	83.3	46%	0.463	43%	0.427	S	S	.	.	H	α-helix	trans	-65.8	-41.9	175.9	-76.8	175.9	-12.1	0	0	112	L745 E746 I747 R752 N753	L745-Q749 HydrophobicContact CD1-CG 4.36Å; L745-Q749 WeakPolarHBondContact O-CB 3.43Å; L745-Q749 VanDerWaalsContact O-CG 3.28Å; L745-Q749 WeakPolarHBondContact O-CG 3.41Å; L745-Q749 PolarHBondContact O-N 3.49Å; E746-Q749 PolarHBondContact O-N 3.34Å; I747-Q749 VanDerWaalsContact C-N 3.3Å; I747-Q749 PolarHBondContact O-N 3.41Å; Q749-R752 PolarHBondContact O-N 2.7Å; Q749-N753 VanDerWaalsContact O-CB 3.32Å; Q749-N753 WeakPolarHBondContact O-CB 3.5Å; Q749-N753 PolarHBondContact O-N 3.28Å; Q749-N753 PolarHBondContact O-ND2 3.38Å; Q749-N753 PolarHBondContact O-OD1 3.32Å
750	K	79.2	Confident	72.5	Confident	63 Å²	63	78 Å²	78	27%	0.274	40%	0.396	S	S	.	.	H	α-helix	trans	-63.8	-42.4	175.9	-77.1	172.6	170.3	165.2	0	112	E746 I747 F759	E746-K750 HydrophobicContact CG-CD 4.48Å; E746-K750 WeakPolarHBondContact O-CB 3.39Å; E746-K750 WeakPolarHBondContact O-CG 3.36Å; E746-K750 PolarHBondContact O-N 2.97Å; E746-K750 WeakPolarHBondContact OE1-CE 3.48Å; E746-K750 IonicContact OE1-NZ 3.94Å; E746-K750 PolarHBondContact OE1-NZ 3.08Å; I747-K750 PolarHBondContact O-N 3.47Å; I747-K750 VanDerWaalsContact O-N 3.17Å; K750-F759 HydrophobicContact CB-CB 4.33Å; K750-F759 HydrophobicContact CB-CD1 3.87Å; K750-F759 HydrophobicContact CB-CE1 4.38Å; K750-F759 HydrophobicContact CB-CG 4.07Å; K750-F759 HydrophobicContact CD-CE1 4.38Å; K750-F759 HydrophobicContact CD-CE2 4.45Å; K750-F759 HydrophobicContact CD-CZ 4.35Å
751	V	81.8	Confident	74.2	Confident	7 Å²	7	70.4 Å²	70.4	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-64.7	-45.1	174.6	176.1	0	0	0	0	110.8	P698 L701 F733 I747 I748 N753 G754 F759	P698-V751 HydrophobicContact CB-CG1 3.94Å; P698-V751 HydrophobicContact CG-CG1 3.72Å; L701-V751 HydrophobicContact CD1-CG1 4.28Å; F733-V751 HydrophobicContact CE2-CG2 4.06Å; F733-V751 HydrophobicContact CZ-CG2 3.77Å; I747-V751 HydrophobicContact CG2-CG2 4.43Å; I747-V751 WeakPolarHBondContact O-CG2 3.47Å; I747-V751 PolarHBondContact O-N 2.95Å; I748-V751 PolarHBondContact O-N 3.24Å; V751-N753 VanDerWaalsContact C-N 3.32Å; V751-N753 PolarHBondContact O-N 3.46Å; V751-G754 PolarHBondContact O-N 3.44Å; V751-F759 HydrophobicContact CG2-CD1 4.03Å
752	R	80.5	Confident	75.9	Confident	107 Å²	107	66.5 Å²	66.5	40%	0.404	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-34.8	179.4	-171	-179.8	-170.1	176.7	9.2	113	L701 I702 D704 I748 Q749 G754	L701-R752 PolarHBondContact O-NE 2.83Å; I702-R752 HydrophobicContact CG1-CG 4.09Å; I702-R752 PolarHBondContact O-NH2 3.38Å; D704-R752 IonicContact OD1-NH2 2.72Å; I748-R752 WeakPolarHBondContact O-CB 3.4Å; I748-R752 PolarHBondContact O-N 3.45Å; Q749-R752 PolarHBondContact O-N 2.7Å; R752-G754 VanDerWaalsContact C-N 3.31Å; R752-G754 PolarHBondContact O-N 3.09Å
753	N	78.9	Confident	76.9	Confident	111 Å²	111	66.9 Å²	66.9	59%	0.594	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.1	-176.7	-70.7	-11.2	0	0	0	113.8	Q749 V751 Q755	Q749-N753 VanDerWaalsContact O-CB 3.32Å; Q749-N753 WeakPolarHBondContact O-CB 3.5Å; Q749-N753 PolarHBondContact O-N 3.28Å; Q749-N753 PolarHBondContact O-ND2 3.38Å; Q749-N753 PolarHBondContact O-OD1 3.32Å; V751-N753 VanDerWaalsContact C-N 3.32Å; V751-N753 PolarHBondContact O-N 3.46Å; N753-Q755 PolarHBondContact O-N 3.39Å
754	G	71.1	Confident	77.2	Confident	29 Å²	29	62.7 Å²	62.7	30%	0.299	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	33	171	0	0	0	0	0	115.6	V751 R752	V751-G754 PolarHBondContact O-N 3.44Å; R752-G754 VanDerWaalsContact C-N 3.31Å; R752-G754 PolarHBondContact O-N 3.09Å
755	Q	72.4	Confident	77.1	Confident	128 Å²	128	66 Å²	66	60%	0.598	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-65.8	134.9	179.6	-68.1	-177.2	-19.7	0	0	111.1	N753 P757 Y758	N753-Q755 PolarHBondContact O-N 3.39Å; Q755-P757 CarbonylContact O-C 3.57Å; Q755-Y758 WeakPolarHBondContact O-CA 3.32Å; Q755-Y758 PolarHBondContact O-N 3.2Å
756	K	71.5	Confident	76.7	Confident	169 Å²	169	74.6 Å²	74.6	74%	0.735	36%	0.358	S	S	*	.	S	Bend	trans	-92.3	134.9	176.7	-70.5	-174.2	178.4	-176.2	0	111.3	Y758	K756-Y758 WeakPolarHBondContact CE-OH 3.48Å; K756-Y758 HydrophobicContact CG-CD1 4.38Å; K756-Y758 HydrophobicContact CG-CE1 3.93Å
757	P	74.6	Confident	76.1	Confident	128 Å²	128	73.9 Å²	73.9	83%	0.831	36%	0.361	S	S	*	.	S	Bend	cis	-64.6	141.4	-5.4	29.2	-35	0	0	0	111.2	Q755 F759	Q755-P757 CarbonylContact O-C 3.57Å; P757-F759 PolarHBondContact O-N 3.32Å
758	Y	82.1	Confident	75.8	Confident	94 Å²	94	73.6 Å²	73.6	37%	0.369	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-55.7	132.7	-173.9	-60.9	-60.5	0	0	0	111	Q755 K756 R760 E782	Q755-Y758 WeakPolarHBondContact O-CA 3.32Å; Q755-Y758 PolarHBondContact O-N 3.2Å; K756-Y758 WeakPolarHBondContact CE-OH 3.48Å; K756-Y758 HydrophobicContact CG-CD1 4.38Å; K756-Y758 HydrophobicContact CG-CE1 3.93Å; Y758-R760 PolarHBondContact O-N 3.01Å; Y758-R760 VanDerWaalsContact O-N 3.11Å; Y758-E782 HydrophobicContact CD1-CG 4.2Å; Y758-E782 HydrophobicContact CD2-CB 3.83Å; Y758-E782 HydrophobicContact CD2-CG 4.21Å; Y758-E782 HydrophobicContact CE1-CG 3.85Å; Y758-E782 HydrophobicContact CE2-CB 3.62Å; Y758-E782 HydrophobicContact CE2-CG 3.83Å; Y758-E782 HydrophobicContact CG-CB 4.35Å; Y758-E782 HydrophobicContact CG-CG 4.38Å
759	F	82.3	Confident	75.7	Confident	45 Å²	45	75 Å²	75	20%	0.197	37%	0.37	C	S	.	.			trans	-65.8	115.8	180	-168.3	-112.6	0	0	0	109.2	F733 V735 M738 I747 K750 V751 P757	F733-F759 HydrophobicContact CD1-CE1 4.36Å; F733-F759 AromaticContact CE1-CD1 3.76Å; F733-F759 HydrophobicContact CE1-CD1 3.76Å; F733-F759 AromaticContact CE1-CE1 3.52Å; F733-F759 HydrophobicContact CE1-CE1 3.52Å; F733-F759 HydrophobicContact CE1-CZ 4.36Å; F733-F759 HydrophobicContact CZ-CD1 4.01Å; F733-F759 HydrophobicContact CZ-CE1 4.24Å; V735-F759 HydrophobicContact CG2-CZ 4.1Å; M738-F759 HydrophobicContact CE-CE2 3.96Å; M738-F759 HydrophobicContact CE-CZ 3.84Å; I747-F759 HydrophobicContact CG2-CE1 4.13Å; K750-F759 HydrophobicContact CB-CB 4.33Å; K750-F759 HydrophobicContact CB-CD1 3.87Å; K750-F759 HydrophobicContact CB-CE1 4.38Å; K750-F759 HydrophobicContact CB-CG 4.07Å; K750-F759 HydrophobicContact CD-CE1 4.38Å; K750-F759 HydrophobicContact CD-CE2 4.45Å; K750-F759 HydrophobicContact CD-CZ 4.35Å; V751-F759 HydrophobicContact CG2-CD1 4.03Å; P757-F759 PolarHBondContact O-N 3.32Å
760	R	84.7	Confident	75.7	Confident	42 Å²	42	76.3 Å²	76.3	16%	0.158	38%	0.376	C	S	.	.			trans	-135.4	158.2	-175.7	-70.6	-60.8	-176.1	-85.1	-1.9	111.2	Y758 W780 E782	Y758-R760 PolarHBondContact O-N 3.01Å; Y758-R760 VanDerWaalsContact O-N 3.11Å; R760-W780 PolarHBondContact NE-O 3.2Å; R760-W780 PolarHBondContact NH2-O 3.24Å; R760-E782 IonicContact CZ-OE2 3.26Å; R760-E782 IonicContact NH1-OE2 3.83Å; R760-E782 PolarHBondContact NH1-OE2 3.24Å; R760-E782 IonicContact NH2-OE2 3.41Å; R760-E782 PolarHBondContact NH2-OE2 3.22Å
761	P	82.8	Confident	75.6	Confident	7 Å²	7	77.6 Å²	77.6	5%	0.045	38%	0.383	C	S	.	.			trans	-65.5	155.9	175.6	-15.3	30.3	0	0	0	112.1	I721 Q724 F733 Y734 W780	I721-P761 HydrophobicContact CD1-CG 3.66Å; Q724-P761 HydrophobicContact CG-CB 4.42Å; F733-P761 HydrophobicContact CD1-CB 4.48Å; F733-P761 HydrophobicContact CD1-CG 4.09Å; F733-P761 HydrophobicContact CD2-CG 3.78Å; F733-P761 HydrophobicContact CE1-CG 4.09Å; F733-P761 HydrophobicContact CE2-CG 3.79Å; F733-P761 HydrophobicContact CG-CG 3.93Å; F733-P761 HydrophobicContact CZ-CG 3.95Å; Y734-P761 WeakPolarHBondContact O-CA 3.44Å; P761-W780 HydrophobicContact CB-CH2 4.06Å; P761-W780 HydrophobicContact CB-CZ3 3.83Å; P761-W780 HydrophobicContact CG-CE3 3.88Å; P761-W780 HydrophobicContact CG-CH2 4.16Å; P761-W780 HydrophobicContact CG-CZ3 3.53Å
762	T	81.4	Confident	75.6	Confident	29 Å²	29	77.3 Å²	77.3	18%	0.178	38%	0.381	C	S	.	.			trans	-70.9	135.5	178.7	-62.8	0	0	0	0	111.7	Q724 Y734 V735 E736	Q724-T762 PolarHBondContact NE2-O 3.31Å; Y734-T762 PolarHBondContact O-N 3.1Å; V735-T762 VanDerWaalsContact CA-OG1 3.31Å; V735-T762 WeakPolarHBondContact CA-OG1 3.25Å; E736-T762 HydrophobicContact CB-CG2 3.8Å; E736-T762 PolarHBondContact N-OG1 3.34Å
763	T	75.2	Confident	75.8	Confident	46 Å²	46	72.5 Å²	72.5	28%	0.282	36%	0.363	S	S	.	.			trans	-105.7	124.7	169.1	47.2	0	0	0	0	109.2	T773 W780	T763-T773 HydrophobicContact CG2-CG2 3.87Å; T763-W780 HydrophobicContact CG2-CH2 3.75Å; T763-W780 HydrophobicContact CG2-CZ2 3.59Å
764	D	70.5	Confident	76.1	Confident	42 Å²	42	71.6 Å²	71.6	23%	0.225	36%	0.358	C	S	.	.			trans	-119.8	100.7	175.1	-177.4	8.6	0	0	0	110.4	L728 R766 C767 H768	L728-D764 HydrophobicContact CD2-CB 4.35Å; D764-R766 PolarHBondContact O-N 2.97Å; D764-R766 VanDerWaalsContact OD1-CB 3.25Å; D764-R766 WeakPolarHBondContact OD1-CB 3.43Å; D764-R766 VanDerWaalsContact OD1-CG 3.3Å; D764-R766 WeakPolarHBondContact OD1-CG 3.4Å; D764-R766 PolarHBondContact OD1-N 3.3Å; D764-C767 PolarHBondContact O-N 3.21Å; D764-C767 VanDerWaalsContact O-N 3.15Å; D764-H768 VanDerWaalsContact C-CE1 3.48Å; D764-H768 PolarHBondContact N-NE2 2.65Å; D764-H768 PolarHBondContact O-CD2 3.46Å; D764-H768 PolarHBondContact O-CE1 2.73Å; D764-H768 PolarHBondContact O-NE2 2.79Å; D764-H768 VanDerWaalsContact O-NE2 3.1Å
765	N	67.6	Low	76.9	Confident	81 Å²	81	70.7 Å²	70.7	43%	0.433	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-5.3	178.8	-73.3	2.2	0	0	0	113.8	T773	N765-T773 WeakPolarHBondContact OD1-CB 3.31Å; N765-T773 WeakPolarHBondContact OD1-CG2 3.34Å; N765-T773 PolarHBondContact OD1-OG1 3.42Å
766	R	64.4	Low	77.7	Confident	230 Å²	230	64.6 Å²	64.6	87%	0.868	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-25.4	174.7	-61.7	175	176.5	-175	1.6	113	D764	D764-R766 PolarHBondContact O-N 2.97Å; D764-R766 VanDerWaalsContact OD1-CB 3.25Å; D764-R766 WeakPolarHBondContact OD1-CB 3.43Å; D764-R766 VanDerWaalsContact OD1-CG 3.3Å; D764-R766 WeakPolarHBondContact OD1-CG 3.4Å; D764-R766 PolarHBondContact OD1-N 3.3Å
767	C	62.5	Low	78.5	Confident	68 Å²	68	61.2 Å²	61.2	46%	0.459	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-16.5	-174.2	-67.9	0	0	0	0	113.7	W626 L728 D764	W626-C767 PolarHBondContact NE1-O 3.2Å; L728-C767 HydrophobicContact CD2-CB 4.26Å; D764-C767 PolarHBondContact O-N 3.21Å; D764-C767 VanDerWaalsContact O-N 3.15Å
768	H	70.1	Confident	79.1	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.037	28%	0.277	C	S	.	.	S	Bend	trans	-146.2	153.1	-175	55.1	60.1	0	0	0	112.3	W626 A727 D764 L772 T773	W626-H768 HydrophobicContact CH2-CB 4.25Å; W626-H768 HydrophobicContact CZ2-CB 3.5Å; A727-H768 HydrophobicContact CB-CB 4.23Å; D764-H768 VanDerWaalsContact C-CE1 3.48Å; D764-H768 PolarHBondContact N-NE2 2.65Å; D764-H768 PolarHBondContact O-CD2 3.46Å; D764-H768 PolarHBondContact O-CE1 2.73Å; D764-H768 PolarHBondContact O-NE2 2.79Å; D764-H768 VanDerWaalsContact O-NE2 3.1Å; H768-L772 HydrophobicContact CB-CD2 4.32Å; H768-T773 PolarHBondContact CE1-OG1 3.16Å; H768-T773 PolarHBondContact ND1-OG1 2.89Å; H768-T773 VanDerWaalsContact ND1-OG1 3.13Å
769	P	76.8	Confident	79.5	Confident	42 Å²	42	51.9 Å²	51.9	27%	0.273	26%	0.26	S	S	.	.			trans	-57.8	144.6	178.2	-27.6	38.8	0	0	0	112.8	Y630 E771 L772 T773	Y630-P769 WeakPolarHBondContact OH-CG 3.36Å; P769-E771 WeakPolarHBondContact CB-OE2 3.38Å; P769-E771 PolarHBondContact O-N 3.09Å; P769-L772 WeakPolarHBondContact O-CB 3.29Å; P769-L772 PolarHBondContact O-N 2.97Å; P769-T773 PolarHBondContact O-N 2.92Å
770	E	78.5	Confident	79.8	Confident	126 Å²	126	50.3 Å²	50.3	59%	0.589	25%	0.253	S	S	*	.	H	α-helix	trans	-61.1	-32.9	-175.9	-174.9	170.3	-172.8	0	0	112	L772 T773 I774	E770-L772 VanDerWaalsContact C-N 3.29Å; E770-L772 PolarHBondContact O-N 3.42Å; E770-T773 VanDerWaalsContact O-CB 3.23Å; E770-T773 WeakPolarHBondContact O-CB 3.49Å; E770-T773 PolarHBondContact O-N 3.16Å; E770-T773 VanDerWaalsContact O-N 3.13Å; E770-I774 WeakPolarHBondContact O-CG1 3Å; E770-I774 PolarHBondContact O-N 2.96Å; E770-I774 VanDerWaalsContact O-N 3.12Å
771	E	78.1	Confident	80	Confident	91 Å²	91	49 Å²	49	43%	0.425	25%	0.251	S	S	.	.	H	α-helix	trans	-70.2	-26.3	178.6	-53.8	79.8	-177.6	0	0	112.8	P769 L775 Y796 L800	P769-E771 WeakPolarHBondContact CB-OE2 3.38Å; P769-E771 PolarHBondContact O-N 3.09Å; E771-L775 PolarHBondContact O-N 3.06Å; E771-Y796 PolarHBondContact O-OH 3.22Å; E771-L800 HydrophobicContact CB-CD2 3.25Å; E771-L800 HydrophobicContact CG-CD2 3.9Å
772	L	82.1	Confident	80.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-72.2	-35.4	172	-170.9	68.6	0	0	0	110.7	W626 L723 A727 H768 P769 E770 L775 M776	W626-L772 HydrophobicContact CH2-CD2 3.2Å; W626-L772 HydrophobicContact CZ2-CD2 4.04Å; W626-L772 HydrophobicContact CZ3-CD2 3.8Å; L723-L772 HydrophobicContact CD2-CD1 4.45Å; A727-L772 HydrophobicContact CB-CD2 4.36Å; H768-L772 HydrophobicContact CB-CD2 4.32Å; P769-L772 WeakPolarHBondContact O-CB 3.29Å; P769-L772 PolarHBondContact O-N 2.97Å; E770-L772 VanDerWaalsContact C-N 3.29Å; E770-L772 PolarHBondContact O-N 3.42Å; L772-L775 HydrophobicContact CD1-CD2 4.37Å; L772-L775 PolarHBondContact O-N 3.24Å; L772-M776 HydrophobicContact CD2-CE 3.57Å; L772-M776 HydrophobicContact CG-CE 3.65Å; L772-M776 WeakPolarHBondContact O-CG 3.45Å; L772-M776 PolarHBondContact O-N 3.3Å
773	T	83.9	Confident	80.3	Confident	6 Å²	6	53.3 Å²	53.3	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-46.7	173.6	-47.7	0	0	0	0	111.2	T763 N765 H768 P769 E770 L775 M776 E777	T763-T773 HydrophobicContact CG2-CG2 3.87Å; N765-T773 WeakPolarHBondContact OD1-CB 3.31Å; N765-T773 WeakPolarHBondContact OD1-CG2 3.34Å; N765-T773 PolarHBondContact OD1-OG1 3.42Å; H768-T773 PolarHBondContact CE1-OG1 3.16Å; H768-T773 PolarHBondContact ND1-OG1 2.89Å; H768-T773 VanDerWaalsContact ND1-OG1 3.13Å; P769-T773 PolarHBondContact O-N 2.92Å; E770-T773 VanDerWaalsContact O-CB 3.23Å; E770-T773 WeakPolarHBondContact O-CB 3.49Å; E770-T773 PolarHBondContact O-N 3.16Å; E770-T773 VanDerWaalsContact O-N 3.13Å; T773-L775 VanDerWaalsContact C-N 3.27Å; T773-L775 PolarHBondContact O-N 2.93Å; T773-M776 PolarHBondContact O-N 3.24Å; T773-E777 WeakPolarHBondContact O-CG 3.34Å; T773-E777 PolarHBondContact O-N 3.39Å
774	I	86.1	Confident	80.9	Confident	93 Å²	93	53.1 Å²	53.1	48%	0.477	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-41.4	177.4	-64	169.2	0	0	0	110.8	E770 E777 G778	E770-I774 WeakPolarHBondContact O-CG1 3Å; E770-I774 PolarHBondContact O-N 2.96Å; E770-I774 VanDerWaalsContact O-N 3.12Å; I774-E777 PolarHBondContact O-N 2.65Å; I774-G778 PolarHBondContact O-N 3.02Å
775	L	87.7	Confident	81.7	Confident	9 Å²	9	54.8 Å²	54.8	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-43.7	177.2	-178.2	64	0	0	0	112.2	L723 E771 L772 T773 E777 G778 C779 I793 Y796	L723-L775 HydrophobicContact CD1-CD2 4.06Å; L723-L775 HydrophobicContact CD1-CG 4.14Å; E771-L775 PolarHBondContact O-N 3.06Å; L772-L775 HydrophobicContact CD1-CD2 4.37Å; L772-L775 PolarHBondContact O-N 3.24Å; T773-L775 VanDerWaalsContact C-N 3.27Å; T773-L775 PolarHBondContact O-N 2.93Å; L775-E777 VanDerWaalsContact C-N 3.32Å; L775-E777 PolarHBondContact O-N 3.33Å; L775-G778 PolarHBondContact O-N 2.99Å; L775-C779 WeakPolarHBondContact O-CB 3.12Å; L775-C779 PolarHBondContact O-N 3.5Å; L775-C779 PolarHBondContact O-SG 3.01Å; L775-I793 HydrophobicContact CD1-CG1 4.17Å; L775-I793 HydrophobicContact CD1-CG2 4.25Å; L775-I793 HydrophobicContact CD2-CG2 4.26Å; L775-Y796 HydrophobicContact CB-CD1 4.3Å; L775-Y796 HydrophobicContact CB-CE1 3.98Å; L775-Y796 HydrophobicContact CD1-CD1 4.1Å; L775-Y796 HydrophobicContact CD2-CD1 4.23Å; L775-Y796 HydrophobicContact CG-CD1 4.44Å
776	M	88.6	Confident	82.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-45.9	175.7	-69.7	179.5	-168.2	0	0	110.9	L723 A727 L772 T773 G778 C779 W780	L723-M776 HydrophobicContact CB-CE 3.92Å; L723-M776 HydrophobicContact CB-CG 3.77Å; L723-M776 HydrophobicContact CB-SD 4.41Å; L723-M776 HydrophobicContact CD1-CG 4.04Å; L723-M776 VanDerWaalsContact O-CE 3.31Å; L723-M776 WeakPolarHBondContact O-CE 3.34Å; A727-M776 HydrophobicContact CB-CE 3.43Å; A727-M776 VanDerWaalsContact CB-CE 3.43Å; L772-M776 HydrophobicContact CD2-CE 3.57Å; L772-M776 HydrophobicContact CG-CE 3.65Å; L772-M776 WeakPolarHBondContact O-CG 3.45Å; L772-M776 PolarHBondContact O-N 3.3Å; T773-M776 PolarHBondContact O-N 3.24Å; M776-G778 PolarHBondContact O-N 3.05Å; M776-C779 PolarHBondContact O-N 3.27Å; M776-C779 VanDerWaalsContact O-N 3.14Å; M776-W780 HydrophobicContact CB-CH2 4.21Å; M776-W780 HydrophobicContact CB-CZ2 4.28Å; M776-W780 PolarHBondContact O-N 3.01Å
777	E	87.8	Confident	84	Confident	98 Å²	98	46.8 Å²	46.8	46%	0.458	26%	0.26	S	S	.	.	H	α-helix	trans	-62.6	-41.5	179.4	-72.8	179.7	178.5	0	0	113.3	T773 I774 L775 W780 A781	T773-E777 WeakPolarHBondContact O-CG 3.34Å; T773-E777 PolarHBondContact O-N 3.39Å; I774-E777 PolarHBondContact O-N 2.65Å; L775-E777 VanDerWaalsContact C-N 3.32Å; L775-E777 PolarHBondContact O-N 3.33Å; E777-W780 VanDerWaalsContact CA-NE1 3.35Å; E777-W780 HydrophobicContact CG-CZ2 4.25Å; E777-W780 VanDerWaalsContact O-CD1 3.23Å; E777-A781 PolarHBondContact O-N 3.4Å
778	G	87.8	Confident	85.4	Confident	26 Å²	26	45.2 Å²	45.2	27%	0.268	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-35.7	172.7	0	0	0	0	0	113.3	I774 L775 M776 P788	I774-G778 PolarHBondContact O-N 3.02Å; L775-G778 PolarHBondContact O-N 2.99Å; M776-G778 PolarHBondContact O-N 3.05Å; G778-P788 VanDerWaalsContact O-CD 3.28Å; G778-P788 WeakPolarHBondContact O-CD 3.25Å
779	C	90.4	Very high	86.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.3	-31.7	-178.2	-70.4	0	0	0	0	113.1	V716 Y717 L775 M776 R787	V716-C779 HydrophobicContact CG1-CB 4.09Å; Y717-C779 WeakPolarHBondContact CA-O 3.44Å; L775-C779 WeakPolarHBondContact O-CB 3.12Å; L775-C779 PolarHBondContact O-N 3.5Å; L775-C779 PolarHBondContact O-SG 3.01Å; M776-C779 PolarHBondContact O-N 3.27Å; M776-C779 VanDerWaalsContact O-N 3.14Å; C779-R787 WeakPolarHBondContact O-CD 3.27Å
780	W	89.5	Confident	87	Confident	12 Å²	12	45.5 Å²	45.5	5%	0.045	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	23	-180	64	31.3	0	0	0	114.7	Y717 I721 Q724 R760 P761 T763 M776 E777	Y717-W780 HydrophobicContact CD2-CB 3.81Å; Y717-W780 HydrophobicContact CE2-CB 3.73Å; I721-W780 HydrophobicContact CD1-CE3 4.03Å; Q724-W780 HydrophobicContact CB-CZ3 4.31Å; R760-W780 PolarHBondContact NE-O 3.2Å; R760-W780 PolarHBondContact NH2-O 3.24Å; P761-W780 HydrophobicContact CB-CH2 4.06Å; P761-W780 HydrophobicContact CB-CZ3 3.83Å; P761-W780 HydrophobicContact CG-CE3 3.88Å; P761-W780 HydrophobicContact CG-CH2 4.16Å; P761-W780 HydrophobicContact CG-CZ3 3.53Å; T763-W780 HydrophobicContact CG2-CH2 3.75Å; T763-W780 HydrophobicContact CG2-CZ2 3.59Å; M776-W780 HydrophobicContact CB-CH2 4.21Å; M776-W780 HydrophobicContact CB-CZ2 4.28Å; M776-W780 PolarHBondContact O-N 3.01Å; E777-W780 VanDerWaalsContact CA-NE1 3.35Å; E777-W780 HydrophobicContact CG-CZ2 4.25Å; E777-W780 VanDerWaalsContact O-CD1 3.23Å
781	A	88.5	Confident	87.4	Confident	15 Å²	15	40.8 Å²	40.8	12%	0.124	23%	0.234	C	C	.	.			trans	-52.9	143.2	173.4	0	0	0	0	0	111.3	E777 E786 R787	E777-A781 PolarHBondContact O-N 3.4Å; A781-E786 HydrophobicContact CB-CB 3.94Å; A781-R787 HydrophobicContact CB-CG 4.02Å; A781-R787 PolarHBondContact O-NE 3.2Å; A781-R787 PolarHBondContact O-NH2 2.85Å; A781-R787 VanDerWaalsContact O-NH2 3.1Å
782	E	85.3	Confident	87.8	Confident	45 Å²	45	42.2 Å²	42.2	21%	0.21	24%	0.24	C	C	.	.	S	Bend	trans	-64	-44.9	-178.6	-172.4	71.3	-166.4	0	0	110.9	Y758 R760 P784 R787	Y758-E782 HydrophobicContact CD1-CG 4.2Å; Y758-E782 HydrophobicContact CD2-CB 3.83Å; Y758-E782 HydrophobicContact CD2-CG 4.21Å; Y758-E782 HydrophobicContact CE1-CG 3.85Å; Y758-E782 HydrophobicContact CE2-CB 3.62Å; Y758-E782 HydrophobicContact CE2-CG 3.83Å; Y758-E782 HydrophobicContact CG-CB 4.35Å; Y758-E782 HydrophobicContact CG-CG 4.38Å; R760-E782 IonicContact CZ-OE2 3.26Å; R760-E782 IonicContact NH1-OE2 3.83Å; R760-E782 PolarHBondContact NH1-OE2 3.24Å; R760-E782 IonicContact NH2-OE2 3.41Å; R760-E782 PolarHBondContact NH2-OE2 3.22Å; E782-P784 WeakPolarHBondContact O-CD 3.47Å; E782-R787 PolarHBondContact O-NH2 2.81Å
783	D	85.9	Confident	88.2	Confident	82 Å²	82	42.3 Å²	42.3	44%	0.439	24%	0.24	S	C	.	.	S	Bend	trans	-76.8	121	174.1	-172.6	-9.8	0	0	0	110.7	A785 E786	D783-A785 PolarHBondContact O-N 2.85Å; D783-A785 VanDerWaalsContact O-N 3.16Å; D783-A785 WeakPolarHBondContact OD1-CB 3.37Å; D783-A785 PolarHBondContact OD1-N 2.88Å; D783-E786 HydrophobicContact CB-CB 4.48Å; D783-E786 HydrophobicContact CB-CG 4.05Å; D783-E786 PolarHBondContact O-N 3.22Å; D783-E786 VanDerWaalsContact O-N 3.17Å
784	P	87.3	Confident	88.3	Confident	41 Å²	41	46.7 Å²	46.7	27%	0.266	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.2	174.9	-25.2	35.5	0	0	0	114.6	E699 K713 E782	E699-P784 HydrophobicContact CB-CG 4.48Å; E699-P784 HydrophobicContact CG-CG 4.06Å; K713-P784 HydrophobicContact CB-CB 3.92Å; K713-P784 WeakPolarHBondContact CD-O 3.44Å; K713-P784 WeakPolarHBondContact CE-O 3.17Å; K713-P784 HydrophobicContact CG-CB 4.29Å; K713-P784 WeakPolarHBondContact CG-O 3.32Å; E782-P784 WeakPolarHBondContact O-CD 3.47Å
785	A	87.4	Confident	88.2	Confident	77 Å²	77	47 Å²	47	64%	0.636	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-29.1	179.1	0	0	0	0	0	113	D783 R787	D783-A785 PolarHBondContact O-N 2.85Å; D783-A785 VanDerWaalsContact O-N 3.16Å; D783-A785 WeakPolarHBondContact OD1-CB 3.37Å; D783-A785 PolarHBondContact OD1-N 2.88Å; A785-R787 VanDerWaalsContact C-N 3.3Å
786	E	88	Confident	88	Confident	141 Å²	141	50.2 Å²	50.2	66%	0.659	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.3	178.7	-66.6	-176	159.9	0	0	112.7	A781 D783	A781-E786 HydrophobicContact CB-CB 3.94Å; D783-E786 HydrophobicContact CB-CB 4.48Å; D783-E786 HydrophobicContact CB-CG 4.05Å; D783-E786 PolarHBondContact O-N 3.22Å; D783-E786 VanDerWaalsContact O-N 3.17Å
787	R	91.9	Very high	87.6	Confident	3 Å²	3	50.5 Å²	50.5	1%	0.011	27%	0.274	C	S	.	.	S	Bend	trans	-71.9	133	-179.3	-60	179.8	-165.3	153.1	9.8	111	E699 K713 V716 C779 A781 E782 A785	E699-R787 IonicContact OE1-CZ 3.5Å; E699-R787 IonicContact OE1-NH1 3.33Å; E699-R787 PolarHBondContact OE1-NH1 3.31Å; E699-R787 IonicContact OE1-NH2 2.77Å; E699-R787 IonicContact OE2-CZ 3.65Å; E699-R787 IonicContact OE2-NH1 3.61Å; E699-R787 PolarHBondContact OE2-NH1 2.95Å; E699-R787 IonicContact OE2-NH2 2.67Å; E699-R787 PolarHBondContact OE2-NH2 3.04Å; K713-R787 HydrophobicContact CD-CB 4.39Å; K713-R787 PolarHBondContact NZ-O 3.39Å; K713-R787 PolarHBondContact O-NH1 2.8Å; V716-R787 HydrophobicContact CG1-CB 4.01Å; C779-R787 WeakPolarHBondContact O-CD 3.27Å; A781-R787 HydrophobicContact CB-CG 4.02Å; A781-R787 PolarHBondContact O-NE 3.2Å; A781-R787 PolarHBondContact O-NH2 2.85Å; A781-R787 VanDerWaalsContact O-NH2 3.1Å; E782-R787 PolarHBondContact O-NH2 2.81Å; A785-R787 VanDerWaalsContact C-N 3.3Å
788	P	91.6	Very high	86.9	Confident	35 Å²	35	48.8 Å²	48.8	23%	0.227	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-69.7	150.2	179.9	28.9	-34.5	0	0	0	112.1	V716 G778 H792 I793	V716-P788 WeakPolarHBondContact CG1-O 3.45Å; V716-P788 WeakPolarHBondContact CG2-O 3.39Å; G778-P788 VanDerWaalsContact O-CD 3.28Å; G778-P788 WeakPolarHBondContact O-CD 3.25Å; P788-H792 HydrophobicContact CB-CB 4.39Å; P788-I793 HydrophobicContact CB-CG1 4Å; P788-I793 HydrophobicContact CG-CD1 4.11Å; P788-I793 HydrophobicContact CG-CG1 3.88Å
789	D	89.8	Confident	86.3	Confident	56 Å²	56	54.2 Å²	54.2	30%	0.299	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-79.1	155.8	172	-59.2	-46.2	0	0	0	111.7	K713 G791 H792 I793	K713-D789 WeakPolarHBondContact CE-OD1 2.88Å; K713-D789 IonicContact NZ-OD1 2.87Å; K713-D789 PolarHBondContact NZ-OD1 2.97Å; K713-D789 IonicContact NZ-OD2 3.2Å; D789-G791 PolarHBondContact O-N 3.16Å; D789-G791 VanDerWaalsContact O-N 3.09Å; D789-H792 WeakPolarHBondContact O-CA 3.48Å; D789-H792 WeakPolarHBondContact O-CB 3.29Å; D789-H792 PolarHBondContact O-N 2.89Å; D789-H792 IonicContact OD2-CE1 2.67Å; D789-H792 IonicContact OD2-ND1 3.06Å; D789-I793 WeakPolarHBondContact O-CG1 3.45Å; D789-I793 PolarHBondContact O-N 2.82Å
790	F	89.8	Confident	85.3	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-25.5	178.6	-78.9	-85.7	0	0	0	113.5	V637 M640 N641 Q644 D715 V716 F719 I793 K794	V637-F790 HydrophobicContact CG1-CD1 4.48Å; M640-F790 HydrophobicContact CB-CD1 3.59Å; M640-F790 HydrophobicContact CB-CD2 3.98Å; M640-F790 HydrophobicContact CB-CE1 3.46Å; M640-F790 VanDerWaalsContact CB-CE1 3.46Å; M640-F790 HydrophobicContact CB-CE2 3.84Å; M640-F790 HydrophobicContact CB-CG 3.84Å; M640-F790 HydrophobicContact CB-CZ 3.57Å; M640-F790 HydrophobicContact CE-CE2 4.23Å; M640-F790 HydrophobicContact CE-CZ 4.37Å; M640-F790 HydrophobicContact CG-CD1 4.47Å; M640-F790 HydrophobicContact CG-CE1 3.85Å; M640-F790 HydrophobicContact CG-CE2 4.31Å; M640-F790 HydrophobicContact CG-CZ 3.74Å; N641-F790 HydrophobicContact CB-CB 4.04Å; Q644-F790 VanDerWaalsContact CD-CD2 3.48Å; Q644-F790 HydrophobicContact CG-CD2 4.48Å; Q644-F790 VanDerWaalsContact NE2-CD2 3.29Å; D715-F790 HydrophobicContact CB-CE2 4.3Å; V716-F790 HydrophobicContact CG2-CD2 3.92Å; V716-F790 HydrophobicContact CG2-CE2 3.65Å; V716-F790 HydrophobicContact CG2-CZ 4.44Å; F719-F790 HydrophobicContact CB-CE1 4.13Å; F719-F790 HydrophobicContact CB-CZ 3.85Å; F719-F790 HydrophobicContact CD1-CE1 4.13Å; F719-F790 HydrophobicContact CD2-CE1 4.1Å; F719-F790 AromaticContact CG-CE1 3.86Å; F719-F790 HydrophobicContact CG-CE1 3.86Å; F719-F790 HydrophobicContact CG-CZ 4.11Å; F790-I793 HydrophobicContact CD1-CD1 4.26Å; F790-I793 HydrophobicContact CG-CD1 4.48Å; F790-K794 VanDerWaalsContact O-CB 3.3Å; F790-K794 WeakPolarHBondContact O-CB 3.43Å; F790-K794 PolarHBondContact O-N 2.88Å
791	G	87.3	Confident	84.1	Confident	27 Å²	27	57.2 Å²	57.2	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-63.6	-44.4	169.9	0	0	0	0	0	112.8	N641 D789 K794 I795	N641-G791 PolarHBondContact OD1-N 2.99Å; D789-G791 PolarHBondContact O-N 3.16Å; D789-G791 VanDerWaalsContact O-N 3.09Å; G791-K794 PolarHBondContact O-N 3.47Å; G791-I795 WeakPolarHBondContact O-CG1 3.36Å; G791-I795 PolarHBondContact O-N 2.83Å
792	H	87.8	Confident	82.6	Confident	121 Å²	121	64.2 Å²	64.2	56%	0.56	34%	0.337	S	S	*	.	H	α-helix	trans	-67.9	-42.4	174.9	-68.2	106.7	0	0	0	111.4	P788 D789 K794 I795 Y796	P788-H792 HydrophobicContact CB-CB 4.39Å; D789-H792 WeakPolarHBondContact O-CA 3.48Å; D789-H792 WeakPolarHBondContact O-CB 3.29Å; D789-H792 PolarHBondContact O-N 2.89Å; D789-H792 IonicContact OD2-CE1 2.67Å; D789-H792 IonicContact OD2-ND1 3.06Å; H792-K794 VanDerWaalsContact C-N 3.31Å; H792-K794 PolarHBondContact O-N 2.9Å; H792-I795 PolarHBondContact O-N 2.99Å; H792-Y796 WeakPolarHBondContact O-CB 3.11Å; H792-Y796 PolarHBondContact O-N 3.09Å
793	I	89.3	Confident	80.9	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-60.1	-41.3	176.2	-61.4	172.1	0	0	0	110.6	V637 V716 F719 L775 P788 D789 F790 I795 Y796 M797	V637-I793 HydrophobicContact CG1-CG2 4.26Å; V637-I793 HydrophobicContact CG2-CG2 3.76Å; V716-I793 HydrophobicContact CG1-CD1 4.21Å; F719-I793 HydrophobicContact CD1-CD1 4.23Å; F719-I793 HydrophobicContact CE1-CD1 4.25Å; F719-I793 HydrophobicContact CE1-CG2 3.92Å; F719-I793 HydrophobicContact CZ-CG2 4.36Å; L775-I793 HydrophobicContact CD1-CG1 4.17Å; L775-I793 HydrophobicContact CD1-CG2 4.25Å; L775-I793 HydrophobicContact CD2-CG2 4.26Å; P788-I793 HydrophobicContact CB-CG1 4Å; P788-I793 HydrophobicContact CG-CD1 4.11Å; P788-I793 HydrophobicContact CG-CG1 3.88Å; D789-I793 WeakPolarHBondContact O-CG1 3.45Å; D789-I793 PolarHBondContact O-N 2.82Å; F790-I793 HydrophobicContact CD1-CD1 4.26Å; F790-I793 HydrophobicContact CG-CD1 4.48Å; I793-I795 VanDerWaalsContact C-N 3.35Å; I793-I795 PolarHBondContact O-N 2.89Å; I793-Y796 PolarHBondContact O-N 3.03Å; I793-M797 WeakPolarHBondContact O-CB 3.33Å; I793-M797 PolarHBondContact O-N 2.84Å
794	K	86.2	Confident	79.3	Confident	98 Å²	98	70.9 Å²	70.9	43%	0.426	38%	0.383	S	S	.	.	H	α-helix	trans	-59.6	-43.7	176.2	-175.6	-177.4	177.3	-175	0	112.1	V637 F790 G791 H792 A798	V637-K794 HydrophobicContact CG1-CB 3.75Å; V637-K794 HydrophobicContact CG1-CG 4.37Å; F790-K794 VanDerWaalsContact O-CB 3.3Å; F790-K794 WeakPolarHBondContact O-CB 3.43Å; F790-K794 PolarHBondContact O-N 2.88Å; G791-K794 PolarHBondContact O-N 3.47Å; H792-K794 VanDerWaalsContact C-N 3.31Å; H792-K794 PolarHBondContact O-N 2.9Å; K794-A798 WeakPolarHBondContact O-CB 3.42Å; K794-A798 PolarHBondContact O-N 3.02Å; K794-A798 VanDerWaalsContact O-N 3.08Å
795	I	84.6	Confident	77.5	Confident	101 Å²	101	70 Å²	70	52%	0.518	38%	0.378	S	S	.	.	H	α-helix	trans	-67.7	-41.4	177.3	-64.4	167.2	0	0	0	110.4	G791 H792 I793 A798 K799	G791-I795 WeakPolarHBondContact O-CG1 3.36Å; G791-I795 PolarHBondContact O-N 2.83Å; H792-I795 PolarHBondContact O-N 2.99Å; I793-I795 VanDerWaalsContact C-N 3.35Å; I793-I795 PolarHBondContact O-N 2.89Å; I795-A798 PolarHBondContact O-N 2.99Å; I795-K799 PolarHBondContact O-N 3.41Å
796	Y	83.7	Confident	75.6	Confident	75 Å²	75	69.5 Å²	69.5	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-47.5	177	-164.8	-93.4	0	0	0	111.1	E771 L775 H792 I793 A798 K799 L800	E771-Y796 PolarHBondContact O-OH 3.22Å; L775-Y796 HydrophobicContact CB-CD1 4.3Å; L775-Y796 HydrophobicContact CB-CE1 3.98Å; L775-Y796 HydrophobicContact CD1-CD1 4.1Å; L775-Y796 HydrophobicContact CD2-CD1 4.23Å; L775-Y796 HydrophobicContact CG-CD1 4.44Å; H792-Y796 WeakPolarHBondContact O-CB 3.11Å; H792-Y796 PolarHBondContact O-N 3.09Å; I793-Y796 PolarHBondContact O-N 3.03Å; Y796-A798 VanDerWaalsContact C-N 3.31Å; Y796-A798 PolarHBondContact O-N 3.16Å; Y796-K799 WeakPolarHBondContact O-CA 3.45Å; Y796-K799 WeakPolarHBondContact O-CB 3.23Å; Y796-K799 PolarHBondContact O-N 2.72Å; Y796-L800 HydrophobicContact CD1-CD1 3.8Å; Y796-L800 HydrophobicContact CD1-CG 4.08Å; Y796-L800 HydrophobicContact CE1-CD1 3.78Å; Y796-L800 HydrophobicContact CE1-CD2 4.03Å; Y796-L800 HydrophobicContact CE1-CG 4.05Å; Y796-L800 WeakPolarHBondContact O-CG 3.43Å; Y796-L800 PolarHBondContact O-N 3Å
797	M	79.4	Confident	73.8	Confident	6 Å²	6	67 Å²	67	3%	0.03	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-36.2	177.4	-165.2	66.7	174.3	0	0	113.1	Y630 I633 I793 K799 L800 N801	Y630-M797 HydrophobicContact CD1-CE 3.29Å; Y630-M797 HydrophobicContact CD1-SD 4.37Å; Y630-M797 HydrophobicContact CE1-CE 4.05Å; Y630-M797 HydrophobicContact CG-CE 4.04Å; I633-M797 HydrophobicContact CB-CE 3.71Å; I633-M797 HydrophobicContact CD1-CE 4.49Å; I633-M797 HydrophobicContact CG2-CE 3.46Å; I633-M797 VanDerWaalsContact CG2-CE 3.46Å; I633-M797 HydrophobicContact CG2-SD 4.01Å; I793-M797 WeakPolarHBondContact O-CB 3.33Å; I793-M797 PolarHBondContact O-N 2.84Å; M797-K799 VanDerWaalsContact C-N 3.28Å; M797-K799 PolarHBondContact O-N 3.44Å; M797-L800 PolarHBondContact O-N 3.4Å; M797-L800 HydrophobicContact SD-CD1 4.13Å; M797-N801 PolarHBondContact O-N 3.03Å
798	A	73.5	Confident	71.9	Confident	62 Å²	62	72.6 Å²	72.6	51%	0.512	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-29.3	174.4	0	0	0	0	0	112.8	K794 I795 Y796	K794-A798 WeakPolarHBondContact O-CB 3.42Å; K794-A798 PolarHBondContact O-N 3.02Å; K794-A798 VanDerWaalsContact O-N 3.08Å; I795-A798 PolarHBondContact O-N 2.99Å; Y796-A798 VanDerWaalsContact C-N 3.31Å; Y796-A798 PolarHBondContact O-N 3.16Å
799	K	75.4	Confident	70	Confident	140 Å²	140	73.2 Å²	73.2	61%	0.609	40%	0.395	S	S	*	.	H	α-helix	trans	-75	-40.3	173.6	-69.4	177.7	179.9	-179.2	0	111.8	I795 Y796 M797 N801 K802	I795-K799 PolarHBondContact O-N 3.41Å; Y796-K799 WeakPolarHBondContact O-CA 3.45Å; Y796-K799 WeakPolarHBondContact O-CB 3.23Å; Y796-K799 PolarHBondContact O-N 2.72Å; M797-K799 VanDerWaalsContact C-N 3.28Å; M797-K799 PolarHBondContact O-N 3.44Å; K799-N801 PolarHBondContact O-N 3.03Å; K799-K802 WeakPolarHBondContact O-CB 3.28Å; K799-K802 PolarHBondContact O-N 3.36Å
800	L	69.3	Low	68.2	Low	39 Å²	39	75.2 Å²	75.2	20%	0.204	41%	0.406	C	S	.	.	H	α-helix	trans	-60.1	-31.2	176.8	-64.9	179.4	0	0	0	113.1	E771 Y796 M797 K802	E771-L800 HydrophobicContact CB-CD2 3.25Å; E771-L800 HydrophobicContact CG-CD2 3.9Å; Y796-L800 HydrophobicContact CD1-CD1 3.8Å; Y796-L800 HydrophobicContact CD1-CG 4.08Å; Y796-L800 HydrophobicContact CE1-CD1 3.78Å; Y796-L800 HydrophobicContact CE1-CD2 4.03Å; Y796-L800 HydrophobicContact CE1-CG 4.05Å; Y796-L800 WeakPolarHBondContact O-CG 3.43Å; Y796-L800 PolarHBondContact O-N 3Å; M797-L800 PolarHBondContact O-N 3.4Å; M797-L800 HydrophobicContact SD-CD1 4.13Å; L800-K802 VanDerWaalsContact C-N 3.3Å; L800-K802 PolarHBondContact O-N 2.88Å
801	N	63.9	Low	66.4	Low	37 Å²	37	78.8 Å²	78.8	20%	0.198	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-84.2	2.3	-177.6	-151	-10.9	0	0	0	113.7	M797 K799 S805 T806	M797-N801 PolarHBondContact O-N 3.03Å; K799-N801 PolarHBondContact O-N 3.03Å; N801-S805 PolarHBondContact OD1-OG 2.9Å; N801-T806 HydrophobicContact CB-CG2 4.17Å; N801-T806 WeakPolarHBondContact O-CG2 3.13Å
802	K	57.6	Low	64.9	Low	162 Å²	162	82 Å²	82	70%	0.704	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-74.1	-21.5	-174.9	-89.6	-174.1	170.9	-174.7	0	115	K799 L800	K799-K802 WeakPolarHBondContact O-CB 3.28Å; K799-K802 PolarHBondContact O-N 3.36Å; L800-K802 VanDerWaalsContact C-N 3.3Å; L800-K802 PolarHBondContact O-N 2.88Å
803	E	49.7	Very low	63.4	Low	203 Å²	203	80.1 Å²	80.1	95%	0.949	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-92.7	10.3	-174	-72.4	-169.6	163.3	0	0	115.4
804	G	51.4	Low	61.8	Low	64 Å²	64	82.8 Å²	82.8	66%	0.66	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-168.7	-10.5	175	0	0	0	0	0	121.8
805	S	48.9	Very low	60.3	Low	22 Å²	22	84.8 Å²	84.8	15%	0.154	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-152.3	9	-164.1	38.6	0	0	0	0	118.7	N801 L809	N801-S805 PolarHBondContact OD1-OG 2.9Å; S805-L809 WeakPolarHBondContact O-CB 3.48Å; S805-L809 PolarHBondContact O-N 3.2Å
806	T	47.6	Very low	58.8	Low	67 Å²	67	86.4 Å²	86.4	41%	0.411	46%	0.46	S	S	.	.	H	α-helix	trans	-76	-28	-179.7	52.3	0	0	0	0	114.2	N801 N810	N801-T806 HydrophobicContact CB-CG2 4.17Å; N801-T806 WeakPolarHBondContact O-CG2 3.13Å; T806-N810 VanDerWaalsContact O-CB 3.22Å; T806-N810 WeakPolarHBondContact O-CB 3.28Å; T806-N810 VanDerWaalsContact O-CG 3.29Å; T806-N810 PolarHBondContact O-ND2 3.49Å
807	S	51.5	Low	57.6	Low	89 Å²	89	88.2 Å²	88.2	62%	0.622	47%	0.471	S	S	*	.	H	α-helix	trans	-83.2	-43.7	178.9	179.6	0	0	0	0	112.1	N811	S807-N811 WeakPolarHBondContact O-CB 3.48Å; S807-N811 PolarHBondContact O-N 3.33Å
808	I	51.3	Low	56.9	Low	120 Å²	120	93.1 Å²	93.1	62%	0.615	49%	0.494	S	S	*	.	H	α-helix	trans	-83	-41	-173.1	-60.1	172.7	0	0	0	111.6	N811 L812	I808-N811 PolarHBondContact O-N 2.89Å; I808-L812 HydrophobicContact CG2-CD1 3.9Å; I808-L812 WeakPolarHBondContact O-CB 3.41Å; I808-L812 WeakPolarHBondContact O-CG 3.37Å; I808-L812 PolarHBondContact O-N 3.41Å
809	L	51.3	Low	56.1	Low	47 Å²	47	98 Å²	98	25%	0.246	50%	0.5	C	S	.	.	H	α-helix	trans	-71.6	-41.2	-179.6	-170.3	67.6	0	0	0	111.5	S805 N811 L812 L813	S805-L809 WeakPolarHBondContact O-CB 3.48Å; S805-L809 PolarHBondContact O-N 3.2Å; L809-N811 VanDerWaalsContact C-N 3.31Å; L809-N811 PolarHBondContact O-N 2.03Å; L809-L812 PolarHBondContact O-N 3.22Å; L809-L813 HydrophobicContact CD1-CD1 4.34Å; L809-L813 HydrophobicContact CD2-CD1 4.41Å; L809-L813 HydrophobicContact CG-CD1 3.81Å; L809-L813 HydrophobicContact CG-CG 4.49Å; L809-L813 VanDerWaalsContact O-CB 3.22Å; L809-L813 WeakPolarHBondContact O-CB 3.42Å; L809-L813 WeakPolarHBondContact O-CD1 3.03Å; L809-L813 VanDerWaalsContact O-CG 3.28Å; L809-L813 WeakPolarHBondContact O-CG 3.47Å; L809-L813 PolarHBondContact O-N 3.2Å
810	N	51.7	Low	55.1	Low	99 Å²	99	93 Å²	93	53%	0.529	49%	0.485	S	S	.	.	H	α-helix	trans	-68	-32.4	174.6	-70.8	-36.5	0	0	0	111.6	T806 S814	T806-N810 VanDerWaalsContact O-CB 3.22Å; T806-N810 WeakPolarHBondContact O-CB 3.28Å; T806-N810 VanDerWaalsContact O-CG 3.29Å; T806-N810 PolarHBondContact O-ND2 3.49Å; N810-S814 WeakPolarHBondContact O-CA 3.46Å; N810-S814 WeakPolarHBondContact O-CB 3.24Å; N810-S814 PolarHBondContact O-N 3.33Å
811	N	53.9	Low	55	Low	75 Å²	75	95 Å²	95	40%	0.401	50%	0.496	S	S	.	.	H	α-helix	trans	-73.4	-37.6	174.7	-163.2	-33	0	0	0	111.5	S807 I808 L809 R815	S807-N811 WeakPolarHBondContact O-CB 3.48Å; S807-N811 PolarHBondContact O-N 3.33Å; I808-N811 PolarHBondContact O-N 2.89Å; L809-N811 VanDerWaalsContact C-N 3.31Å; L809-N811 PolarHBondContact O-N 2.03Å; N811-R815 WeakPolarHBondContact O-CB 3.34Å; N811-R815 WeakPolarHBondContact O-CG 3.47Å; N811-R815 PolarHBondContact O-N 3.09Å; N811-R815 PolarHBondContact OD1-NE 3.41Å
812	L	55.1	Low	55.2	Low	95 Å²	95	97.3 Å²	97.3	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-67.6	-42.9	172	-82	165.6	0	0	0	112.2	I808 L809 R815 M816	I808-L812 HydrophobicContact CG2-CD1 3.9Å; I808-L812 WeakPolarHBondContact O-CB 3.41Å; I808-L812 WeakPolarHBondContact O-CG 3.37Å; I808-L812 PolarHBondContact O-N 3.41Å; L809-L812 PolarHBondContact O-N 3.22Å; L812-R815 PolarHBondContact O-N 2.91Å; L812-M816 WeakPolarHBondContact O-CB 3.2Å; L812-M816 VanDerWaalsContact O-CG 3.29Å; L812-M816 WeakPolarHBondContact O-CG 3.31Å; L812-M816 PolarHBondContact O-N 3.14Å
813	L	56.2	Low	55.5	Low	80 Å²	80	94.6 Å²	94.6	42%	0.419	50%	0.501	S	S	.	.	H	α-helix	trans	-66.9	-44.9	176.2	-77.6	162.9	0	0	0	111.2	L809 R815 M816 E817	L809-L813 HydrophobicContact CD1-CD1 4.34Å; L809-L813 HydrophobicContact CD2-CD1 4.41Å; L809-L813 HydrophobicContact CG-CD1 3.81Å; L809-L813 HydrophobicContact CG-CG 4.49Å; L809-L813 VanDerWaalsContact O-CB 3.22Å; L809-L813 WeakPolarHBondContact O-CB 3.42Å; L809-L813 WeakPolarHBondContact O-CD1 3.03Å; L809-L813 VanDerWaalsContact O-CG 3.28Å; L809-L813 WeakPolarHBondContact O-CG 3.47Å; L809-L813 PolarHBondContact O-N 3.2Å; L813-R815 VanDerWaalsContact C-N 3.31Å; L813-R815 PolarHBondContact O-N 3.33Å; L813-M816 PolarHBondContact O-N 3.04Å; L813-E817 WeakPolarHBondContact O-CB 3.48Å; L813-E817 WeakPolarHBondContact O-CG 3.37Å; L813-E817 PolarHBondContact O-N 3.27Å
814	S	54.6	Low	56.5	Low	58 Å²	58	91.4 Å²	91.4	41%	0.406	49%	0.486	S	S	.	.	H	α-helix	trans	-58.6	-43.3	172.3	162.9	0	0	0	0	111.2	N810 E817 Q818	N810-S814 WeakPolarHBondContact O-CA 3.46Å; N810-S814 WeakPolarHBondContact O-CB 3.24Å; N810-S814 PolarHBondContact O-N 3.33Å; S814-E817 PolarHBondContact O-N 3.42Å; S814-Q818 WeakPolarHBondContact O-CB 2.95Å; S814-Q818 PolarHBondContact O-N 3.25Å
815	R	55.4	Low	57.3	Low	139 Å²	139	93 Å²	93	53%	0.525	48%	0.479	S	S	.	.	H	α-helix	trans	-64.8	-42.4	175.3	-77.7	175.1	-173	-151.5	-3.6	111.3	N811 L812 L813 Q818 Y819	N811-R815 WeakPolarHBondContact O-CB 3.34Å; N811-R815 WeakPolarHBondContact O-CG 3.47Å; N811-R815 PolarHBondContact O-N 3.09Å; N811-R815 PolarHBondContact OD1-NE 3.41Å; L812-R815 PolarHBondContact O-N 2.91Å; L813-R815 VanDerWaalsContact C-N 3.31Å; L813-R815 PolarHBondContact O-N 3.33Å; R815-Q818 PolarHBondContact O-N 3.11Å; R815-Y819 HydrophobicContact CB-CD2 4.34Å; R815-Y819 HydrophobicContact CB-CE2 4.38Å; R815-Y819 VanDerWaalsContact O-CB 3.31Å; R815-Y819 WeakPolarHBondContact O-CB 3.41Å; R815-Y819 WeakPolarHBondContact O-CD2 3.19Å; R815-Y819 PolarHBondContact O-N 2.77Å
816	M	53.1	Low	58.3	Low	135 Å²	135	96 Å²	96	67%	0.665	49%	0.493	S	S	*	.	H	α-helix	trans	-66.4	-39	177.3	-73.7	-173.7	77.3	0	0	112.4	L812 L813 A820	L812-M816 WeakPolarHBondContact O-CB 3.2Å; L812-M816 VanDerWaalsContact O-CG 3.29Å; L812-M816 WeakPolarHBondContact O-CG 3.31Å; L812-M816 PolarHBondContact O-N 3.14Å; L813-M816 PolarHBondContact O-N 3.04Å; M816-A820 VanDerWaalsContact O-CB 3.27Å; M816-A820 WeakPolarHBondContact O-CB 3.43Å; M816-A820 PolarHBondContact O-N 2.94Å
817	E	59.3	Low	59.4	Low	113 Å²	113	96.9 Å²	96.9	53%	0.528	50%	0.498	S	S	.	.	H	α-helix	trans	-65.9	-42.4	172.9	-76.9	-177.9	162.6	0	0	111.5	L813 S814 A820 N821	L813-E817 WeakPolarHBondContact O-CB 3.48Å; L813-E817 WeakPolarHBondContact O-CG 3.37Å; L813-E817 PolarHBondContact O-N 3.27Å; S814-E817 PolarHBondContact O-N 3.42Å; E817-A820 PolarHBondContact O-N 3.37Å; E817-N821 WeakPolarHBondContact O-CB 3.38Å; E817-N821 VanDerWaalsContact O-CG 3.27Å; E817-N821 PolarHBondContact O-N 3.48Å
818	Q	63.4	Low	60.2	Low	110 Å²	110	98.1 Å²	98.1	51%	0.514	49%	0.494	S	S	.	.	H	α-helix	trans	-67.8	-40.9	177.3	-168	176	12.2	0	0	111.3	S814 R815 A820 N822	S814-Q818 WeakPolarHBondContact O-CB 2.95Å; S814-Q818 PolarHBondContact O-N 3.25Å; R815-Q818 PolarHBondContact O-N 3.11Å; Q818-A820 VanDerWaalsContact C-N 3.34Å; Q818-N822 WeakPolarHBondContact O-CB 2.98Å; Q818-N822 PolarHBondContact O-N 3.21Å; Q818-N822 PolarHBondContact O-ND2 2.96Å; Q818-N822 PolarHBondContact O-OD1 3.5Å
819	Y	57.4	Low	61.3	Low	163 Å²	163	98.6 Å²	98.6	64%	0.639	49%	0.494	S	S	*	.	H	α-helix	trans	-63	-40.7	172.4	-84	-63.8	0	0	0	111.4	R815 L823	R815-Y819 HydrophobicContact CB-CD2 4.34Å; R815-Y819 HydrophobicContact CB-CE2 4.38Å; R815-Y819 VanDerWaalsContact O-CB 3.31Å; R815-Y819 WeakPolarHBondContact O-CB 3.41Å; R815-Y819 WeakPolarHBondContact O-CD2 3.19Å; R815-Y819 PolarHBondContact O-N 2.77Å; Y819-L823 VanDerWaalsContact O-CB 3.3Å; Y819-L823 WeakPolarHBondContact O-CB 3.33Å; Y819-L823 WeakPolarHBondContact O-CD1 3.46Å; Y819-L823 PolarHBondContact O-N 3.05Å
820	A	55.4	Low	62.2	Low	36 Å²	36	105 Å²	105	30%	0.298	52%	0.515	S	S	.	.	H	α-helix	trans	-66.1	-47.3	177.9	0	0	0	0	0	112	M816 E817 Q818 N822 L823 E824	M816-A820 VanDerWaalsContact O-CB 3.27Å; M816-A820 WeakPolarHBondContact O-CB 3.43Å; M816-A820 PolarHBondContact O-N 2.94Å; E817-A820 PolarHBondContact O-N 3.37Å; Q818-A820 VanDerWaalsContact C-N 3.34Å; A820-N822 VanDerWaalsContact C-N 3.35Å; A820-N822 PolarHBondContact O-N 3.16Å; A820-L823 WeakPolarHBondContact O-CB 3.37Å; A820-L823 PolarHBondContact O-N 2.8Å; A820-E824 WeakPolarHBondContact O-CB 3.19Å; A820-E824 PolarHBondContact O-N 3.29Å
821	N	65.9	Low	63.2	Low	81 Å²	81	103.7 Å²	103.7	43%	0.433	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-38.7	177.5	-68.9	-12.4	0	0	0	111.5	E817 L823 E824 N825	E817-N821 WeakPolarHBondContact O-CB 3.38Å; E817-N821 VanDerWaalsContact O-CG 3.27Å; E817-N821 PolarHBondContact O-N 3.48Å; N821-L823 VanDerWaalsContact C-N 3.34Å; N821-E824 PolarHBondContact O-N 3.4Å; N821-N825 WeakPolarHBondContact O-CB 3.46Å; N821-N825 PolarHBondContact O-N 3.14Å; N821-N825 PolarHBondContact O-ND2 3.01Å
822	N	67.6	Low	64.3	Low	86 Å²	86	105.5 Å²	105.5	46%	0.46	52%	0.516	S	S	.	.	H	α-helix	trans	-65.3	-38.4	174.6	-71.1	-9.6	0	0	0	111.6	Q818 A820 L826	Q818-N822 WeakPolarHBondContact O-CB 2.98Å; Q818-N822 PolarHBondContact O-N 3.21Å; Q818-N822 PolarHBondContact O-ND2 2.96Å; Q818-N822 PolarHBondContact O-OD1 3.5Å; A820-N822 VanDerWaalsContact C-N 3.35Å; A820-N822 PolarHBondContact O-N 3.16Å; N822-L826 WeakPolarHBondContact O-CB 3.34Å; N822-L826 PolarHBondContact O-N 2.95Å
823	L	65.6	Low	65.3	Low	105 Å²	105	103.1 Å²	103.1	55%	0.55	51%	0.511	S	S	.	.	H	α-helix	trans	-66.3	-41	174.2	-95.3	150.2	0	0	0	111.7	Y819 A820 N821 L826 V827	Y819-L823 VanDerWaalsContact O-CB 3.3Å; Y819-L823 WeakPolarHBondContact O-CB 3.33Å; Y819-L823 WeakPolarHBondContact O-CD1 3.46Å; Y819-L823 PolarHBondContact O-N 3.05Å; A820-L823 WeakPolarHBondContact O-CB 3.37Å; A820-L823 PolarHBondContact O-N 2.8Å; N821-L823 VanDerWaalsContact C-N 3.34Å; L823-L826 PolarHBondContact O-N 2.77Å; L823-V827 WeakPolarHBondContact O-CB 3.21Å; L823-V827 WeakPolarHBondContact O-CG2 3.46Å; L823-V827 PolarHBondContact O-N 3.39Å
824	E	69	Low	66.3	Low	135 Å²	135	106.4 Å²	106.4	63%	0.631	52%	0.519	S	S	*	.	H	α-helix	trans	-66.3	-46.7	179.4	-152.3	164.9	-148.2	0	0	110.9	A820 N821 L826 V827 E828	A820-E824 WeakPolarHBondContact O-CB 3.19Å; A820-E824 PolarHBondContact O-N 3.29Å; N821-E824 PolarHBondContact O-N 3.4Å; E824-L826 VanDerWaalsContact C-N 3.35Å; E824-L826 PolarHBondContact O-N 2.89Å; E824-V827 PolarHBondContact O-N 3.22Å; E824-E828 WeakPolarHBondContact O-CB 3.45Å; E824-E828 PolarHBondContact O-N 2.95Å
825	N	68.5	Low	67.3	Low	97 Å²	97	108.3 Å²	108.3	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-60.9	-42.6	173.4	-69.6	-15.7	0	0	0	111.9	N821 E828 E829	N821-N825 WeakPolarHBondContact O-CB 3.46Å; N821-N825 PolarHBondContact O-N 3.14Å; N821-N825 PolarHBondContact O-ND2 3.01Å; N825-E828 PolarHBondContact O-N 3.2Å; N825-E829 WeakPolarHBondContact O-CB 3.26Å; N825-E829 PolarHBondContact O-N 3.4Å
826	L	71.2	Confident	68.3	Low	86 Å²	86	107.5 Å²	107.5	45%	0.45	53%	0.526	S	S	.	.	H	α-helix	trans	-67.1	-38	178.3	-175.3	69	0	0	0	111.8	N822 L823 E824 R830	N822-L826 WeakPolarHBondContact O-CB 3.34Å; N822-L826 PolarHBondContact O-N 2.95Å; L823-L826 PolarHBondContact O-N 2.77Å; E824-L826 VanDerWaalsContact C-N 3.35Å; E824-L826 PolarHBondContact O-N 2.89Å; L826-R830 HydrophobicContact CG-CG 4.48Å; L826-R830 VanDerWaalsContact O-CB 3.23Å; L826-R830 WeakPolarHBondContact O-CB 3.33Å; L826-R830 WeakPolarHBondContact O-CG 3.33Å; L826-R830 PolarHBondContact O-N 3.22Å
827	V	69.6	Low	69.3	Low	86 Å²	86	107.5 Å²	107.5	52%	0.521	52%	0.524	S	S	.	.	H	α-helix	trans	-66.8	-41	174.8	168	0	0	0	0	110.1	L823 E824 R830 T831	L823-V827 WeakPolarHBondContact O-CB 3.21Å; L823-V827 WeakPolarHBondContact O-CG2 3.46Å; L823-V827 PolarHBondContact O-N 3.39Å; E824-V827 PolarHBondContact O-N 3.22Å; V827-R830 PolarHBondContact O-N 2.91Å; V827-T831 VanDerWaalsContact O-CB 3.26Å; V827-T831 WeakPolarHBondContact O-CB 3.44Å; V827-T831 PolarHBondContact O-N 3.3Å; V827-T831 PolarHBondContact O-OG1 3.18Å
828	E	68.3	Low	70.1	Confident	115 Å²	115	106.8 Å²	106.8	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-47.3	176.2	-169.9	168	-163.4	0	0	111.5	E824 N825 R830 T831 Q832	E824-E828 WeakPolarHBondContact O-CB 3.45Å; E824-E828 PolarHBondContact O-N 2.95Å; N825-E828 PolarHBondContact O-N 3.2Å; E828-R830 PolarHBondContact O-N 3.09Å; E828-T831 PolarHBondContact O-N 3.32Å; E828-Q832 WeakPolarHBondContact O-CG 3.41Å; E828-Q832 PolarHBondContact O-N 3.06Å
829	E	75.1	Confident	70.7	Confident	129 Å²	129	109.9 Å²	109.9	60%	0.603	53%	0.527	S	S	*	.	H	α-helix	trans	-60.7	-46.4	175.9	-171.9	-175	179.4	0	0	111.6	N825 T831 Q832 A833	N825-E829 WeakPolarHBondContact O-CB 3.26Å; N825-E829 PolarHBondContact O-N 3.4Å; E829-T831 VanDerWaalsContact C-N 3.29Å; E829-T831 PolarHBondContact O-N 3.34Å; E829-Q832 PolarHBondContact O-N 3.39Å; E829-A833 WeakPolarHBondContact O-CB 3.45Å; E829-A833 PolarHBondContact O-N 3.43Å
830	R	70.8	Confident	71.7	Confident	182 Å²	182	108.5 Å²	108.5	69%	0.687	52%	0.524	S	S	*	.	H	α-helix	trans	-63.4	-35.9	176.1	-75.4	-73.9	-176.3	156.2	-0.5	112.3	L826 V827 E828 Y834	L826-R830 HydrophobicContact CG-CG 4.48Å; L826-R830 VanDerWaalsContact O-CB 3.23Å; L826-R830 WeakPolarHBondContact O-CB 3.33Å; L826-R830 WeakPolarHBondContact O-CG 3.33Å; L826-R830 PolarHBondContact O-N 3.22Å; V827-R830 PolarHBondContact O-N 2.91Å; E828-R830 PolarHBondContact O-N 3.09Å; R830-Y834 VanDerWaalsContact O-CB 3.29Å; R830-Y834 WeakPolarHBondContact O-CB 3.31Å; R830-Y834 PolarHBondContact O-N 2.77Å
831	T	72.8	Confident	72.7	Confident	71 Å²	71	109.6 Å²	109.6	44%	0.436	53%	0.533	S	S	.	.	H	α-helix	trans	-69.2	-41	177.2	-57.6	0	0	0	0	110.6	V827 E828 E829 Y834 L835	V827-T831 VanDerWaalsContact O-CB 3.26Å; V827-T831 WeakPolarHBondContact O-CB 3.44Å; V827-T831 PolarHBondContact O-N 3.3Å; V827-T831 PolarHBondContact O-OG1 3.18Å; E828-T831 PolarHBondContact O-N 3.32Å; E829-T831 VanDerWaalsContact C-N 3.29Å; E829-T831 PolarHBondContact O-N 3.34Å; T831-Y834 PolarHBondContact O-N 2.87Å; T831-L835 HydrophobicContact CG2-CD1 4.48Å; T831-L835 VanDerWaalsContact O-CG 3.3Å; T831-L835 WeakPolarHBondContact O-CG 3.49Å; T831-L835 PolarHBondContact O-N 3.29Å
832	Q	77.1	Confident	73.3	Confident	113 Å²	113	108.1 Å²	108.1	53%	0.528	52%	0.524	S	S	.	.	H	α-helix	trans	-64.2	-47.4	174.3	-73.3	-177.6	-1.5	0	0	111.6	E828 E829 Y834 L835 E836	E828-Q832 WeakPolarHBondContact O-CG 3.41Å; E828-Q832 PolarHBondContact O-N 3.06Å; E829-Q832 PolarHBondContact O-N 3.39Å; Q832-Y834 VanDerWaalsContact C-N 3.3Å; Q832-Y834 PolarHBondContact O-N 2.86Å; Q832-L835 PolarHBondContact O-N 3.49Å; Q832-L835 VanDerWaalsContact O-N 3.1Å; Q832-E836 PolarHBondContact O-N 3Å
833	A	76.1	Confident	73.7	Confident	46 Å²	46	107.9 Å²	107.9	38%	0.38	52%	0.522	S	S	.	.	H	α-helix	trans	-58.3	-42.2	175.8	0	0	0	0	0	111.8	E829 L835 E836 E837	E829-A833 WeakPolarHBondContact O-CB 3.45Å; E829-A833 PolarHBondContact O-N 3.43Å; A833-L835 PolarHBondContact O-N 3.33Å; A833-E836 PolarHBondContact O-N 3.29Å; A833-E837 WeakPolarHBondContact O-CG 3.24Å; A833-E837 PolarHBondContact O-N 3.04Å
834	Y	76.1	Confident	74.3	Confident	148 Å²	148	107.8 Å²	107.8	58%	0.58	52%	0.522	S	S	*	.	H	α-helix	trans	-62.2	-41.4	174.9	175.7	-98.9	0	0	0	112.4	R830 T831 Q832 E836 E837 K838	R830-Y834 VanDerWaalsContact O-CB 3.29Å; R830-Y834 WeakPolarHBondContact O-CB 3.31Å; R830-Y834 PolarHBondContact O-N 2.77Å; T831-Y834 PolarHBondContact O-N 2.87Å; Q832-Y834 VanDerWaalsContact C-N 3.3Å; Q832-Y834 PolarHBondContact O-N 2.86Å; Y834-E836 VanDerWaalsContact C-N 3.34Å; Y834-E837 PolarHBondContact O-N 2.99Å; Y834-K838 VanDerWaalsContact O-CB 3.25Å; Y834-K838 WeakPolarHBondContact O-CB 3.38Å; Y834-K838 PolarHBondContact O-N 3.19Å
835	L	75.5	Confident	74.8	Confident	99 Å²	99	103.9 Å²	103.9	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-65.1	-38.3	177.1	-72.8	171.8	0	0	0	111.9	T831 Q832 A833 R839	T831-L835 HydrophobicContact CG2-CD1 4.48Å; T831-L835 VanDerWaalsContact O-CG 3.3Å; T831-L835 WeakPolarHBondContact O-CG 3.49Å; T831-L835 PolarHBondContact O-N 3.29Å; Q832-L835 PolarHBondContact O-N 3.49Å; Q832-L835 VanDerWaalsContact O-N 3.1Å; A833-L835 PolarHBondContact O-N 3.33Å; L835-R839 WeakPolarHBondContact O-CB 3.47Å; L835-R839 PolarHBondContact O-N 3.11Å
836	E	76.7	Confident	75.2	Confident	121 Å²	121	101.7 Å²	101.7	57%	0.565	49%	0.49	S	S	*	.	H	α-helix	trans	-67.6	-44.8	174.6	-72.2	-173.5	177.5	0	0	112.5	Q832 A833 Y834 K838 R839 K840	Q832-E836 PolarHBondContact O-N 3Å; A833-E836 PolarHBondContact O-N 3.29Å; Y834-E836 VanDerWaalsContact C-N 3.34Å; E836-K838 VanDerWaalsContact C-N 3.32Å; E836-K838 PolarHBondContact O-N 2.87Å; E836-R839 PolarHBondContact O-N 2.76Å; E836-K840 WeakPolarHBondContact O-CG 3.42Å; E836-K840 PolarHBondContact O-N 2.71Å
837	E	73.9	Confident	75.3	Confident	135 Å²	135	105 Å²	105	63%	0.631	50%	0.503	S	S	*	.	H	α-helix	trans	-60.9	-42.9	174.8	-77.5	-169	156	0	0	111.5	A833 Y834 R839 K840 A841	A833-E837 WeakPolarHBondContact O-CG 3.24Å; A833-E837 PolarHBondContact O-N 3.04Å; Y834-E837 PolarHBondContact O-N 2.99Å; E837-R839 VanDerWaalsContact C-N 3.34Å; E837-R839 PolarHBondContact O-N 3.28Å; E837-K840 PolarHBondContact O-N 3.05Å; E837-A841 WeakPolarHBondContact O-CB 3.44Å; E837-A841 PolarHBondContact O-N 3.09Å
838	K	76.9	Confident	75.6	Confident	98 Å²	98	106 Å²	106	43%	0.426	50%	0.504	S	S	.	.	H	α-helix	trans	-58.2	-46.2	174	-179	-178.2	174.3	-176	0	111.1	Y834 E836 K840 A841 E842	Y834-K838 VanDerWaalsContact O-CB 3.25Å; Y834-K838 WeakPolarHBondContact O-CB 3.38Å; Y834-K838 PolarHBondContact O-N 3.19Å; E836-K838 VanDerWaalsContact C-N 3.32Å; E836-K838 PolarHBondContact O-N 2.87Å; K838-K840 PolarHBondContact O-N 3.33Å; K838-A841 PolarHBondContact O-N 3.08Å; K838-E842 WeakPolarHBondContact CE-OE1 3.44Å; K838-E842 HydrophobicContact CG-CG 4.46Å; K838-E842 WeakPolarHBondContact O-CB 3.43Å; K838-E842 VanDerWaalsContact O-CG 3.31Å; K838-E842 WeakPolarHBondContact O-CG 3.5Å; K838-E842 PolarHBondContact O-N 3.47Å
839	R	75.8	Confident	76.1	Confident	176 Å²	176	100.6 Å²	100.6	66%	0.664	48%	0.479	S	S	*	.	H	α-helix	trans	-62.1	-41.6	178	-177.2	179.6	166.3	142.4	-0.2	111.8	L835 E836 E837 E842 N843	L835-R839 WeakPolarHBondContact O-CB 3.47Å; L835-R839 PolarHBondContact O-N 3.11Å; E836-R839 PolarHBondContact O-N 2.76Å; E837-R839 VanDerWaalsContact C-N 3.34Å; E837-R839 PolarHBondContact O-N 3.28Å; R839-E842 PolarHBondContact O-N 3.42Å; R839-N843 PolarHBondContact O-N 2.85Å
840	K	77.9	Confident	76.4	Confident	133 Å²	133	95 Å²	95	58%	0.578	45%	0.453	S	S	*	.	H	α-helix	trans	-62.9	-44.2	175.7	-71.5	172	-176.9	169	0	111.5	E836 E837 K838 N843 L844	E836-K840 WeakPolarHBondContact O-CG 3.42Å; E836-K840 PolarHBondContact O-N 2.71Å; E837-K840 PolarHBondContact O-N 3.05Å; K838-K840 PolarHBondContact O-N 3.33Å; K840-N843 PolarHBondContact O-N 3.46Å; K840-L844 WeakPolarHBondContact O-CG 3.25Å; K840-L844 PolarHBondContact O-N 2.99Å; K840-L844 VanDerWaalsContact O-N 3.13Å
841	A	76.1	Confident	76.9	Confident	60 Å²	60	91.8 Å²	91.8	50%	0.496	45%	0.446	S	S	.	.	H	α-helix	trans	-64.4	-39.8	176.8	0	0	0	0	0	112.5	E837 K838 L844 L845	E837-A841 WeakPolarHBondContact O-CB 3.44Å; E837-A841 PolarHBondContact O-N 3.09Å; K838-A841 PolarHBondContact O-N 3.08Å; A841-L844 PolarHBondContact O-N 3.5Å; A841-L845 PolarHBondContact O-N 2.83Å; A841-L845 VanDerWaalsContact O-N 3.07Å
842	E	78.3	Confident	77.2	Confident	50 Å²	50	90.6 Å²	90.6	23%	0.234	44%	0.441	C	S	.	.	H	α-helix	trans	-65.8	-42.2	176.2	-73.3	-179.8	165	0	0	112.1	K838 R839 L844 L845 Y846 K858	K838-E842 WeakPolarHBondContact CE-OE1 3.44Å; K838-E842 HydrophobicContact CG-CG 4.46Å; K838-E842 WeakPolarHBondContact O-CB 3.43Å; K838-E842 VanDerWaalsContact O-CG 3.31Å; K838-E842 WeakPolarHBondContact O-CG 3.5Å; K838-E842 PolarHBondContact O-N 3.47Å; R839-E842 PolarHBondContact O-N 3.42Å; E842-L844 VanDerWaalsContact C-N 3.34Å; E842-L844 PolarHBondContact O-N 2.83Å; E842-L845 WeakPolarHBondContact O-CB 3.35Å; E842-L845 PolarHBondContact O-N 2.7Å; E842-L845 VanDerWaalsContact O-N 3.14Å; E842-Y846 HydrophobicContact CB-CE2 4.16Å; E842-Y846 WeakPolarHBondContact O-CD2 3.41Å; E842-Y846 PolarHBondContact O-N 3.34Å; E842-K858 VanDerWaalsContact OE1-CE 3.24Å; E842-K858 WeakPolarHBondContact OE1-CE 3.47Å; E842-K858 IonicContact OE1-NZ 3.89Å; E842-K858 PolarHBondContact OE1-NZ 2.98Å; E842-K858 IonicContact OE2-NZ 3.59Å
843	N	77.1	Confident	77.4	Confident	80 Å²	80	85.5 Å²	85.5	43%	0.428	42%	0.417	S	S	.	.	H	α-helix	trans	-61.6	-41.2	175.9	-75.3	-5.9	0	0	0	112.3	R839 K840 L845 Y846 Q847	R839-N843 PolarHBondContact O-N 2.85Å; K840-N843 PolarHBondContact O-N 3.46Å; N843-L845 VanDerWaalsContact C-N 3.3Å; N843-L845 PolarHBondContact O-N 2.94Å; N843-Y846 PolarHBondContact O-N 2.78Å; N843-Q847 WeakPolarHBondContact O-CG 3.39Å; N843-Q847 PolarHBondContact O-N 2.83Å
844	L	78.8	Confident	77.7	Confident	103 Å²	103	83.3 Å²	83.3	54%	0.539	40%	0.399	S	S	.	.	H	α-helix	trans	-64.3	-35.7	174.7	-70.2	170.9	0	0	0	111.9	K840 A841 E842 Q847 I848	K840-L844 WeakPolarHBondContact O-CG 3.25Å; K840-L844 PolarHBondContact O-N 2.99Å; K840-L844 VanDerWaalsContact O-N 3.13Å; A841-L844 PolarHBondContact O-N 3.5Å; E842-L844 VanDerWaalsContact C-N 3.34Å; E842-L844 PolarHBondContact O-N 2.83Å; L844-Q847 PolarHBondContact O-N 2.76Å; L844-I848 WeakPolarHBondContact O-CG1 3.27Å; L844-I848 PolarHBondContact O-N 2.86Å
845	L	78.8	Confident	78	Confident	53 Å²	53	80.3 Å²	80.3	28%	0.277	39%	0.39	S	S	.	.	H	α-helix	trans	-65.2	-41.6	176.8	-174.1	66	0	0	0	111.8	A841 E842 N843 Q847 I848 L849 A854 K858	A841-L845 PolarHBondContact O-N 2.83Å; A841-L845 VanDerWaalsContact O-N 3.07Å; E842-L845 WeakPolarHBondContact O-CB 3.35Å; E842-L845 PolarHBondContact O-N 2.7Å; E842-L845 VanDerWaalsContact O-N 3.14Å; N843-L845 VanDerWaalsContact C-N 3.3Å; N843-L845 PolarHBondContact O-N 2.94Å; L845-Q847 VanDerWaalsContact C-N 3.27Å; L845-Q847 PolarHBondContact O-N 3.1Å; L845-I848 PolarHBondContact O-N 2.84Å; L845-L849 HydrophobicContact CD1-CD1 4.16Å; L845-L849 PolarHBondContact O-N 2.83Å; L845-A854 HydrophobicContact CD2-CB 4.1Å; L845-A854 HydrophobicContact CG-CB 4.07Å; L845-K858 HydrophobicContact CD2-CD 4.12Å; L845-K858 HydrophobicContact CD2-CG 3.95Å
846	Y	77.6	Confident	78.2	Confident	51 Å²	51	78.5 Å²	78.5	20%	0.2	38%	0.379	C	S	.	.	H	α-helix	trans	-70.5	-20	177.2	-60	-48.8	0	0	0	113.7	E842 N843 I848 L849 H851 A854 K858	E842-Y846 HydrophobicContact CB-CE2 4.16Å; E842-Y846 WeakPolarHBondContact O-CD2 3.41Å; E842-Y846 PolarHBondContact O-N 3.34Å; N843-Y846 PolarHBondContact O-N 2.78Å; Y846-I848 VanDerWaalsContact C-N 3.34Å; Y846-L849 CarbonylContact C-O 3.54Å; Y846-L849 VanDerWaalsContact O-O 3.13Å; Y846-H851 AromaticContact CD1-CE1 3.51Å; Y846-H851 AromaticContact CD1-CG 3.93Å; Y846-H851 AromaticContact CD1-ND1 3.25Å; Y846-H851 WeakPolarHBondContact CD1-ND1 3.33Å; Y846-H851 AromaticContact CD2-CE1 3.52Å; Y846-H851 AromaticContact CE1-CE1 3.91Å; Y846-H851 AromaticContact CE1-ND1 3.39Å; Y846-H851 WeakPolarHBondContact CE1-ND1 3.47Å; Y846-H851 AromaticContact CE2-CE1 3.91Å; Y846-H851 AromaticContact CG-CE1 3.32Å; Y846-H851 AromaticContact CG-ND1 3.6Å; Y846-H851 AromaticContact CG-NE2 3.98Å; Y846-H851 AromaticContact CZ-ND1 3.85Å; Y846-A854 HydrophobicContact CD1-CB 3.69Å; Y846-A854 HydrophobicContact CE1-CB 3.72Å; Y846-K858 PolarHBondContact OH-NZ 2.8Å
847	Q	72.8	Confident	78.2	Confident	156 Å²	156	75.9 Å²	75.9	73%	0.729	37%	0.369	S	S	*	.	H	α-helix	trans	-75.7	-22.7	171.6	-73.2	176.9	-7.9	0	0	112.9	N843 L844 L845	N843-Q847 WeakPolarHBondContact O-CG 3.39Å; N843-Q847 PolarHBondContact O-N 2.83Å; L844-Q847 PolarHBondContact O-N 2.76Å; L845-Q847 VanDerWaalsContact C-N 3.27Å; L845-Q847 PolarHBondContact O-N 3.1Å
848	I	75.4	Confident	78.4	Confident	106 Å²	106	73.9 Å²	73.9	54%	0.544	36%	0.358	S	S	.	.	H	α-helix	trans	-100.4	-34.3	-176.3	-60.2	169.2	0	0	0	111.3	L844 L845 Y846	L844-I848 WeakPolarHBondContact O-CG1 3.27Å; L844-I848 PolarHBondContact O-N 2.86Å; L845-I848 PolarHBondContact O-N 2.84Å; Y846-I848 VanDerWaalsContact C-N 3.34Å
849	L	79.3	Confident	78.5	Confident	3 Å²	3	77.4 Å²	77.4	2%	0.016	37%	0.369	C	S	.	.	S	Bend	trans	-128.1	148.8	-176.4	-65.7	174.7	0	0	0	111.4	L845 Y846 A854 L857 P986	L845-L849 HydrophobicContact CD1-CD1 4.16Å; L845-L849 PolarHBondContact O-N 2.83Å; Y846-L849 CarbonylContact C-O 3.54Å; Y846-L849 VanDerWaalsContact O-O 3.13Å; L849-A854 HydrophobicContact CB-CB 4.33Å; L849-L857 HydrophobicContact CD1-CD1 3.47Å; L849-L857 VanDerWaalsContact CD1-CD1 3.47Å; L849-P986 HydrophobicContact CD1-CB 4.44Å; L849-P986 HydrophobicContact CD1-CG 4.16Å
850	P	80.4	Confident	78.4	Confident	10 Å²	10	72.2 Å²	72.2	7%	0.065	37%	0.37	C	S	.	.			trans	-57.3	146.8	172.7	-15.7	24.7	0	0	0	112.2	S852 V853 A854 Y914 P930 Y988	P850-S852 VanDerWaalsContact C-N 3.35Å; P850-S852 PolarHBondContact O-N 3.17Å; P850-V853 HydrophobicContact CB-CB 4.49Å; P850-V853 HydrophobicContact CB-CG2 4.34Å; P850-V853 HydrophobicContact CG-CG2 4.26Å; P850-V853 PolarHBondContact O-N 3.46Å; P850-V853 VanDerWaalsContact O-N 3.1Å; P850-A854 WeakPolarHBondContact O-CB 3.39Å; P850-A854 PolarHBondContact O-N 2.55Å; P850-Y914 HydrophobicContact CB-CE2 4.26Å; P850-Y914 HydrophobicContact CG-CD2 4.19Å; P850-Y914 HydrophobicContact CG-CE1 4.32Å; P850-Y914 HydrophobicContact CG-CE2 3.59Å; P850-P930 HydrophobicContact CB-CG 3.7Å; P850-P930 HydrophobicContact CG-CG 4.22Å; P850-Y988 HydrophobicContact CG-CD1 4.26Å; P850-Y988 HydrophobicContact CG-CG 4.16Å
851	H	81.9	Confident	78.4	Confident	116 Å²	116	70.6 Å²	70.6	54%	0.537	37%	0.365	S	S	.	.	H	α-helix	trans	-51.9	-46.5	-177.4	-89.6	-78.8	0	0	0	114	Y846 V853 A854 E855	Y846-H851 AromaticContact CD1-CE1 3.51Å; Y846-H851 AromaticContact CD1-CG 3.93Å; Y846-H851 AromaticContact CD1-ND1 3.25Å; Y846-H851 WeakPolarHBondContact CD1-ND1 3.33Å; Y846-H851 AromaticContact CD2-CE1 3.52Å; Y846-H851 AromaticContact CE1-CE1 3.91Å; Y846-H851 AromaticContact CE1-ND1 3.39Å; Y846-H851 WeakPolarHBondContact CE1-ND1 3.47Å; Y846-H851 AromaticContact CE2-CE1 3.91Å; Y846-H851 AromaticContact CG-CE1 3.32Å; Y846-H851 AromaticContact CG-ND1 3.6Å; Y846-H851 AromaticContact CG-NE2 3.98Å; Y846-H851 AromaticContact CZ-ND1 3.85Å; H851-V853 VanDerWaalsContact C-N 3.33Å; H851-V853 PolarHBondContact O-N 3.41Å; H851-A854 PolarHBondContact O-N 2.78Å; H851-E855 PolarHBondContact O-N 2.88Å
852	S	79.6	Confident	78.1	Confident	45 Å²	45	73.4 Å²	73.4	32%	0.315	38%	0.376	S	S	.	.	H	α-helix	trans	-61.4	-40.4	-179.7	53.2	0	0	0	0	112.7	P850 Q856 P930	P850-S852 VanDerWaalsContact C-N 3.35Å; P850-S852 PolarHBondContact O-N 3.17Å; S852-Q856 WeakPolarHBondContact O-CG 3.38Å; S852-Q856 PolarHBondContact O-N 3.45Å; S852-P930 WeakPolarHBondContact OG-CG 3.42Å
853	V	80.6	Confident	77.9	Confident	6 Å²	6	72.4 Å²	72.4	4%	0.036	37%	0.373	C	S	.	.	H	α-helix	trans	-74.5	-41.5	-179.7	175.9	0	0	0	0	111	P850 H851 E855 Q856 L857 V863 V980 Y988	P850-V853 HydrophobicContact CB-CB 4.49Å; P850-V853 HydrophobicContact CB-CG2 4.34Å; P850-V853 HydrophobicContact CG-CG2 4.26Å; P850-V853 PolarHBondContact O-N 3.46Å; P850-V853 VanDerWaalsContact O-N 3.1Å; H851-V853 VanDerWaalsContact C-N 3.33Å; H851-V853 PolarHBondContact O-N 3.41Å; V853-E855 VanDerWaalsContact C-N 3.34Å; V853-E855 PolarHBondContact O-N 3.1Å; V853-Q856 PolarHBondContact O-N 2.93Å; V853-L857 HydrophobicContact CG1-CD1 4.33Å; V853-L857 WeakPolarHBondContact O-CG 3.4Å; V853-L857 PolarHBondContact O-N 3.49Å; V853-L857 VanDerWaalsContact O-N 3.1Å; V853-V863 HydrophobicContact CG1-CG1 4.06Å; V853-V863 HydrophobicContact CG1-CG2 3.9Å; V853-V980 HydrophobicContact CG1-CG2 3.45Å; V853-V980 VanDerWaalsContact CG1-CG2 3.45Å; V853-Y988 HydrophobicContact CG2-CD2 4.08Å; V853-Y988 HydrophobicContact CG2-CE2 3.86Å
854	A	82.3	Confident	77.8	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-62.3	-38.9	177.1	0	0	0	0	0	112.1	L845 Y846 L849 P850 H851 L857 K858	L845-A854 HydrophobicContact CD2-CB 4.1Å; L845-A854 HydrophobicContact CG-CB 4.07Å; Y846-A854 HydrophobicContact CD1-CB 3.69Å; Y846-A854 HydrophobicContact CE1-CB 3.72Å; L849-A854 HydrophobicContact CB-CB 4.33Å; P850-A854 WeakPolarHBondContact O-CB 3.39Å; P850-A854 PolarHBondContact O-N 2.55Å; H851-A854 PolarHBondContact O-N 2.78Å; A854-L857 PolarHBondContact O-N 2.82Å; A854-K858 VanDerWaalsContact O-CG 3.27Å; A854-K858 WeakPolarHBondContact O-CG 2.95Å; A854-K858 PolarHBondContact O-N 3.19Å
855	E	81.7	Confident	77.9	Confident	85 Å²	85	74.1 Å²	74.1	40%	0.397	39%	0.388	S	S	.	.	H	α-helix	trans	-66.6	-40.7	176.2	-75.4	-161	171.9	0	0	113.5	H851 V853 K858 R859	H851-E855 PolarHBondContact O-N 2.88Å; V853-E855 VanDerWaalsContact C-N 3.34Å; V853-E855 PolarHBondContact O-N 3.1Å; E855-K858 PolarHBondContact O-N 3.05Å; E855-R859 WeakPolarHBondContact O-CG 3.41Å; E855-R859 PolarHBondContact O-N 2.77Å; E855-R859 VanDerWaalsContact O-N 3.1Å; E855-R859 IonicContact OE2-NH2 2.65Å; E855-R859 PolarHBondContact OE2-NH2 3.21Å
856	Q	79.7	Confident	78.2	Confident	61 Å²	61	76.2 Å²	76.2	29%	0.285	40%	0.397	S	S	.	.	H	α-helix	trans	-61.5	-44.7	175.4	-71.3	175.8	6.5	0	0	110.9	S852 V853 K858 R859 G860 E861 V863	S852-Q856 WeakPolarHBondContact O-CG 3.38Å; S852-Q856 PolarHBondContact O-N 3.45Å; V853-Q856 PolarHBondContact O-N 2.93Å; Q856-K858 VanDerWaalsContact C-N 3.35Å; Q856-K858 PolarHBondContact O-N 3.23Å; Q856-R859 PolarHBondContact O-N 3.46Å; Q856-R859 VanDerWaalsContact O-N 3.13Å; Q856-G860 PolarHBondContact O-N 3.26Å; Q856-E861 HydrophobicContact CB-CB 4.37Å; Q856-E861 WeakPolarHBondContact O-CB 3.31Å; Q856-E861 PolarHBondContact O-N 3.26Å; Q856-V863 HydrophobicContact CB-CG2 4.24Å
857	L	77.2	Confident	78.6	Confident	66 Å²	66	77.4 Å²	77.4	35%	0.346	42%	0.417	S	S	.	.	H	α-helix	trans	-63	-38.9	175.5	-71.2	171.1	0	0	0	112.4	L849 V853 A854 R859 G860 V863	L849-L857 HydrophobicContact CD1-CD1 3.47Å; L849-L857 VanDerWaalsContact CD1-CD1 3.47Å; V853-L857 HydrophobicContact CG1-CD1 4.33Å; V853-L857 WeakPolarHBondContact O-CG 3.4Å; V853-L857 PolarHBondContact O-N 3.49Å; V853-L857 VanDerWaalsContact O-N 3.1Å; A854-L857 PolarHBondContact O-N 2.82Å; L857-R859 PolarHBondContact O-N 3.38Å; L857-G860 PolarHBondContact O-N 2.77Å; L857-V863 HydrophobicContact CD1-CG2 4.42Å; L857-V863 HydrophobicContact CD2-CG2 3.82Å; L857-V863 HydrophobicContact CG-CG2 3.74Å
858	K	78.4	Confident	79.4	Confident	94 Å²	94	70.2 Å²	70.2	41%	0.409	38%	0.383	S	S	.	.	H	α-helix	trans	-62.7	-29.9	174.7	-75.8	171.8	71.8	179.9	0	112.9	E842 L845 Y846 A854 E855 Q856 G860	E842-K858 VanDerWaalsContact OE1-CE 3.24Å; E842-K858 WeakPolarHBondContact OE1-CE 3.47Å; E842-K858 IonicContact OE1-NZ 3.89Å; E842-K858 PolarHBondContact OE1-NZ 2.98Å; E842-K858 IonicContact OE2-NZ 3.59Å; L845-K858 HydrophobicContact CD2-CD 4.12Å; L845-K858 HydrophobicContact CD2-CG 3.95Å; Y846-K858 PolarHBondContact OH-NZ 2.8Å; A854-K858 VanDerWaalsContact O-CG 3.27Å; A854-K858 WeakPolarHBondContact O-CG 2.95Å; A854-K858 PolarHBondContact O-N 3.19Å; E855-K858 PolarHBondContact O-N 3.05Å; Q856-K858 VanDerWaalsContact C-N 3.35Å; Q856-K858 PolarHBondContact O-N 3.23Å; K858-G860 VanDerWaalsContact C-N 3.25Å
859	R	79.6	Confident	79.9	Confident	171 Å²	171	71.9 Å²	71.9	65%	0.645	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.7	175.3	-66.9	174.8	-168.3	179.5	8.5	113	E855 Q856 L857 E861	E855-R859 WeakPolarHBondContact O-CG 3.41Å; E855-R859 PolarHBondContact O-N 2.77Å; E855-R859 VanDerWaalsContact O-N 3.1Å; E855-R859 IonicContact OE2-NH2 2.65Å; E855-R859 PolarHBondContact OE2-NH2 3.21Å; Q856-R859 PolarHBondContact O-N 3.46Å; Q856-R859 VanDerWaalsContact O-N 3.13Å; L857-R859 PolarHBondContact O-N 3.38Å; R859-E861 VanDerWaalsContact C-N 3.29Å; R859-E861 HydrophobicContact CB-CG 4.11Å
860	G	73	Confident	80.4	Confident	68 Å²	68	74.2 Å²	74.2	70%	0.701	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	16.9	-175.9	0	0	0	0	0	113.4	Q856 L857 K858	Q856-G860 PolarHBondContact O-N 3.26Å; L857-G860 PolarHBondContact O-N 2.77Å; K858-G860 VanDerWaalsContact C-N 3.25Å
861	E	77.1	Confident	81	Confident	98 Å²	98	73.8 Å²	73.8	46%	0.458	41%	0.407	S	S	.	.			trans	-82.2	143.7	177.1	-63.4	171.7	-169.3	0	0	110.1	Q856 R859	Q856-E861 HydrophobicContact CB-CB 4.37Å; Q856-E861 WeakPolarHBondContact O-CB 3.31Å; Q856-E861 PolarHBondContact O-N 3.26Å; R859-E861 VanDerWaalsContact C-N 3.29Å; R859-E861 HydrophobicContact CB-CG 4.11Å
862	T	71.3	Confident	81.6	Confident	119 Å²	119	68.2 Å²	68.2	73%	0.73	38%	0.382	S	S	*	.			trans	-81.4	119.3	174.8	54.7	0	0	0	0	109.8	Q864	T862-Q864 PolarHBondContact O-N 3.22Å
863	V	72.4	Confident	82.3	Confident	29 Å²	29	66.1 Å²	66.1	18%	0.176	37%	0.367	C	S	.	.			trans	-73.2	114.3	176.2	-175.3	0	0	0	0	109	V853 Q856 L857 V980	V853-V863 HydrophobicContact CG1-CG1 4.06Å; V853-V863 HydrophobicContact CG1-CG2 3.9Å; Q856-V863 HydrophobicContact CB-CG2 4.24Å; L857-V863 HydrophobicContact CD1-CG2 4.42Å; L857-V863 HydrophobicContact CD2-CG2 3.82Å; L857-V863 HydrophobicContact CG-CG2 3.74Å; V863-V980 HydrophobicContact CB-CB 4.4Å; V863-V980 HydrophobicContact CB-CG2 4.06Å; V863-V980 HydrophobicContact CG1-CB 4.45Å; V863-V980 HydrophobicContact CG1-CG2 3.82Å; V863-V980 HydrophobicContact CG2-CG2 4.4Å
864	Q	75.3	Confident	82.9	Confident	147 Å²	147	65.8 Å²	65.8	69%	0.687	37%	0.365	S	S	*	.			trans	-87.2	157.5	177	-64.5	-170.3	-6	0	0	110.8	T862	T862-Q864 PolarHBondContact O-N 3.22Å
865	A	80.9	Confident	83.4	Confident	73 Å²	73	66.9 Å²	66.9	60%	0.603	37%	0.37	S	S	*	.			trans	-72.6	130.7	174	0	0	0	0	0	110	A978	A865-A978 CarbonylContact C-O 3.52Å; A865-A978 WeakPolarHBondContact CA-O 3.47Å
866	E	85.3	Confident	83.9	Confident	96 Å²	96	62.9 Å²	62.9	45%	0.449	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145.2	179.7	-68.1	-177.2	178.2	0	0	110.3	F868 C977 A978	E866-F868 HydrophobicContact CB-CE2 3.72Å; E866-F868 HydrophobicContact CB-CZ 4.05Å; E866-C977 CarbonylContact O-C 3.49Å; E866-C977 VanDerWaalsContact O-CA 3.32Å; E866-C977 WeakPolarHBondContact O-CA 3.12Å; E866-C977 PolarHBondContact O-SG 2.95Å; E866-C977 VanDerWaalsContact O-SG 3.38Å; E866-A978 PolarHBondContact N-O 2.89Å; E866-A978 PolarHBondContact O-N 3.15Å
867	A	86.4	Confident	84.4	Confident	77 Å²	77	60.9 Å²	60.9	64%	0.636	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.6	174.5	0	0	0	0	0	109.6
868	F	89.3	Confident	85	Confident	4 Å²	4	58 Å²	58	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.5	179	-63.2	-94.2	0	0	0	108.7	E866 V871 L929 Q932 P975 V976 A978	E866-F868 HydrophobicContact CB-CE2 3.72Å; E866-F868 HydrophobicContact CB-CZ 4.05Å; F868-V871 HydrophobicContact CB-CG1 3.72Å; F868-V871 HydrophobicContact CG-CG1 4.36Å; F868-L929 HydrophobicContact CD1-CB 4.07Å; F868-L929 HydrophobicContact CD2-CB 4.42Å; F868-L929 HydrophobicContact CE1-CB 3.92Å; F868-L929 HydrophobicContact CE2-CB 4.29Å; F868-L929 HydrophobicContact CG-CB 4.34Å; F868-L929 HydrophobicContact CZ-CB 4.05Å; F868-Q932 HydrophobicContact CD1-CG 3.86Å; F868-Q932 HydrophobicContact CE1-CG 3.97Å; F868-P975 CarbonylContact O-C 3.57Å; F868-P975 VanDerWaalsContact O-CA 3.24Å; F868-P975 WeakPolarHBondContact O-CA 3.33Å; F868-V976 HydrophobicContact CB-CG1 4.17Å; F868-V976 HydrophobicContact CD2-CG1 4.46Å; F868-V976 PolarHBondContact N-O 3.28Å; F868-V976 PolarHBondContact O-N 3.27Å; F868-A978 HydrophobicContact CD2-CB 4.24Å; F868-A978 HydrophobicContact CE2-CB 3.94Å
869	D	86.5	Confident	85.5	Confident	142 Å²	142	55.7 Å²	55.7	76%	0.759	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	-29.7	-173.1	-66.1	-36	0	0	0	113.3	P975	D869-P975 WeakPolarHBondContact O-CA 3.49Å; D869-P975 WeakPolarHBondContact O-CB 3.28Å
870	S	88.8	Confident	85.7	Confident	52 Å²	52	49.6 Å²	49.6	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	115.4	-178.9	-175.7	0	0	0	0	110.8	H937	S870-H937 PolarHBondContact O-CD2 3.48Å; S870-H937 PolarHBondContact OG-CE1 2.83Å; S870-H937 VanDerWaalsContact OG-CE1 3.26Å; S870-H937 PolarHBondContact OG-NE2 3.4Å
871	V	93.4	Very high	86.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.2	172.2	-59.3	0	0	0	0	109.6	F868 I873 V926 S927 L929 T973 G974 V976	F868-V871 HydrophobicContact CB-CG1 3.72Å; F868-V871 HydrophobicContact CG-CG1 4.36Å; V871-I873 HydrophobicContact CG2-CG1 4.28Å; V871-V926 HydrophobicContact CB-CG2 4.19Å; V871-V926 HydrophobicContact CG2-CG2 4.34Å; V871-S927 WeakPolarHBondContact CB-O 3.23Å; V871-L929 HydrophobicContact CG1-CB 4.49Å; V871-L929 HydrophobicContact CG1-CD2 4.2Å; V871-T973 VanDerWaalsContact O-CA 3.26Å; V871-T973 WeakPolarHBondContact O-CA 3.43Å; V871-G974 VanDerWaalsContact CG2-O 3.32Å; V871-G974 WeakPolarHBondContact CG2-O 3.43Å; V871-G974 PolarHBondContact N-O 3.07Å; V871-G974 PolarHBondContact O-N 2.91Å; V871-V976 HydrophobicContact CB-CG1 4.36Å; V871-V976 HydrophobicContact CG1-CG1 4.04Å; V871-V976 HydrophobicContact CG2-CB 3.85Å; V871-V976 HydrophobicContact CG2-CG1 3.42Å; V871-V976 VanDerWaalsContact CG2-CG1 3.42Å
872	T	94.9	Very high	86.7	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.4	172.7	-61.3	0	0	0	0	109.9	V926 S927 H937 A938 V941 I971 T973	T872-V926 WeakPolarHBondContact O-CA 3.32Å; T872-S927 PolarHBondContact N-O 3.21Å; T872-S927 PolarHBondContact O-N 2.9Å; T872-S927 VanDerWaalsContact O-N 3.08Å; T872-H937 PolarHBondContact OG1-ND1 3.04Å; T872-A938 VanDerWaalsContact OG1-CA 3.29Å; T872-A938 WeakPolarHBondContact OG1-CA 3.41Å; T872-A938 PolarHBondContact OG1-N 2.95Å; T872-V941 HydrophobicContact CG2-CB 3.78Å; T872-V941 HydrophobicContact CG2-CG1 3.81Å; T872-V941 HydrophobicContact CG2-CG2 4.05Å; T872-I971 HydrophobicContact CG2-CG2 3.4Å; T872-T973 PolarHBondContact OG1-OG1 3.46Å
873	I	94.3	Very high	87.4	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.9	-179.7	-54.6	-177.4	0	0	0	109.5	V871 F875 M924 V926 I971 H972 L990 T994 V995 A998	V871-I873 HydrophobicContact CG2-CG1 4.28Å; I873-F875 HydrophobicContact CG2-CD2 3.7Å; I873-F875 HydrophobicContact CG2-CE2 3.54Å; I873-M924 HydrophobicContact CG2-CE 3.91Å; I873-V926 HydrophobicContact CG1-CG2 4.04Å; I873-I971 WeakPolarHBondContact O-CA 3.19Å; I873-H972 PolarHBondContact N-O 3.47Å; I873-H972 PolarHBondContact O-N 3.49Å; I873-H972 VanDerWaalsContact O-N 3.16Å; I873-L990 HydrophobicContact CD1-CD2 4.3Å; I873-T994 HydrophobicContact CD1-CG2 3.79Å; I873-T994 HydrophobicContact CG1-CG2 4.17Å; I873-V995 HydrophobicContact CD1-CB 4.39Å; I873-V995 HydrophobicContact CD1-CG2 3.73Å; I873-A998 HydrophobicContact CB-CB 3.99Å; I873-A998 HydrophobicContact CG2-CB 3.98Å
874	Y	94.1	Very high	87.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.2	171.5	174	-86.6	0	0	0	110.1	S876 Y923 M924 V925 V941 M944 S945 L948 I969 I971	Y874-S876 WeakPolarHBondContact CE1-OG 3.28Å; Y874-S876 VanDerWaalsContact OH-CB 3.27Å; Y874-S876 WeakPolarHBondContact OH-CB 3.43Å; Y874-S876 PolarHBondContact OH-OG 3.07Å; Y874-Y923 HydrophobicContact CE1-CD1 4.12Å; Y874-M924 WeakPolarHBondContact O-CA 3.36Å; Y874-V925 WeakPolarHBondContact CB-O 3.37Å; Y874-V925 HydrophobicContact CD1-CB 4.17Å; Y874-V925 HydrophobicContact CD1-CG2 4.29Å; Y874-V925 HydrophobicContact CG-CB 4.46Å; Y874-V925 PolarHBondContact N-O 2.99Å; Y874-V925 PolarHBondContact O-N 2.51Å; Y874-V925 VanDerWaalsContact O-N 3.1Å; Y874-V941 HydrophobicContact CD2-CG1 4.35Å; Y874-M944 HydrophobicContact CD1-CE 4.1Å; Y874-M944 HydrophobicContact CD2-CE 3.51Å; Y874-M944 HydrophobicContact CE1-CE 4.46Å; Y874-M944 HydrophobicContact CE2-CE 3.87Å; Y874-M944 HydrophobicContact CG-CE 3.61Å; Y874-S945 WeakPolarHBondContact CD2-OG 3.47Å; Y874-S945 VanDerWaalsContact CE2-OG 3.24Å; Y874-S945 WeakPolarHBondContact CE2-OG 3.18Å; Y874-L948 HydrophobicContact CE1-CD1 4.46Å; Y874-L948 HydrophobicContact CE2-CD1 4.3Å; Y874-I969 HydrophobicContact CD2-CG2 3.7Å; Y874-I969 HydrophobicContact CE2-CB 4.26Å; Y874-I969 HydrophobicContact CE2-CD1 3.93Å; Y874-I969 HydrophobicContact CE2-CG1 4.01Å; Y874-I969 HydrophobicContact CE2-CG2 3.27Å; Y874-I969 WeakPolarHBondContact OH-CD1 3.2Å; Y874-I969 WeakPolarHBondContact OH-CG1 3.35Å; Y874-I971 HydrophobicContact CD2-CG1 4.41Å
875	F	92.6	Very high	88.4	Confident	23 Å²	23	40.7 Å²	40.7	10%	0.101	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.6	165.5	-87.5	-89.6	0	0	0	109.4	I873 M924 I969 G970 V995 A998 E1002	I873-F875 HydrophobicContact CG2-CD2 3.7Å; I873-F875 HydrophobicContact CG2-CE2 3.54Å; F875-M924 HydrophobicContact CD1-CB 4.45Å; F875-M924 HydrophobicContact CD1-CG 4.48Å; F875-M924 HydrophobicContact CE1-CB 4.15Å; F875-M924 HydrophobicContact CE1-CG 3.98Å; F875-M924 HydrophobicContact CE1-SD 3.94Å; F875-M924 HydrophobicContact CE2-CE 4.02Å; F875-M924 HydrophobicContact CE2-CG 4.1Å; F875-M924 HydrophobicContact CE2-SD 4.09Å; F875-M924 HydrophobicContact CZ-CB 4.45Å; F875-M924 HydrophobicContact CZ-CE 3.88Å; F875-M924 HydrophobicContact CZ-CG 3.78Å; F875-M924 HydrophobicContact CZ-SD 3.44Å; F875-M924 WeakPolarHBondContact CZ-SD 3.28Å; F875-I969 CarbonylContact O-C 3.53Å; F875-I969 WeakPolarHBondContact O-CA 3.45Å; F875-G970 PolarHBondContact N-O 2.83Å; F875-G970 PolarHBondContact O-N 3.45Å; F875-V995 HydrophobicContact CE2-CG1 3.99Å; F875-V995 HydrophobicContact CZ-CG1 3.82Å; F875-A998 HydrophobicContact CD2-CB 3.54Å; F875-A998 HydrophobicContact CE2-CB 3.93Å; F875-E1002 HydrophobicContact CB-CB 3.76Å; F875-E1002 HydrophobicContact CB-CG 4.13Å
876	S	90.8	Very high	88.7	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.007	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.1	167.4	68	0	0	0	0	112.6	Y874 A922 Y923 R968	Y874-S876 WeakPolarHBondContact CE1-OG 3.28Å; Y874-S876 VanDerWaalsContact OH-CB 3.27Å; Y874-S876 WeakPolarHBondContact OH-CB 3.43Å; Y874-S876 PolarHBondContact OH-OG 3.07Å; S876-A922 CarbonylContact O-C 3.58Å; S876-A922 WeakPolarHBondContact O-CA 3.38Å; S876-Y923 PolarHBondContact N-O 2.94Å; S876-Y923 PolarHBondContact O-N 2.92Å; S876-Y923 WeakPolarHBondContact OG-CB 3.32Å; S876-R968 CarbonylContact C-O 3.45Å; S876-R968 WeakPolarHBondContact CA-O 3.44Å; S876-R968 WeakPolarHBondContact CB-O 3.39Å
877	D	90.8	Very high	88.7	Confident	18 Å²	18	42.9 Å²	42.9	10%	0.096	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.2	178	-179	44.4	0	0	0	111.2	L967 R968 E1002	D877-L967 WeakPolarHBondContact O-CD1 3.3Å; D877-R968 HydrophobicContact CB-CG 3.95Å; D877-R968 PolarHBondContact N-O 2.91Å; D877-R968 WeakPolarHBondContact O-CG 3.48Å; D877-R968 PolarHBondContact O-N 3.12Å; D877-R968 IonicContact OD2-CZ 2.64Å; D877-R968 IonicContact OD2-NE 3.43Å; D877-R968 PolarHBondContact OD2-NE 2.88Å; D877-R968 IonicContact OD2-NH2 2.71Å; D877-R968 PolarHBondContact OD2-NH2 2.8Å; D877-E1002 HydrophobicContact CB-CG 4.11Å; D877-E1002 WeakPolarHBondContact CB-OE1 3.17Å
878	I	89.1	Confident	88.8	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.1	-178.9	-60.7	169.9	0	0	0	109.4	G880 F881 L897 L900 D921 L965 L967	I878-G880 PolarHBondContact O-N 2.9Å; I878-G880 VanDerWaalsContact O-N 3.1Å; I878-F881 HydrophobicContact CB-CB 3.92Å; I878-F881 HydrophobicContact CB-CD2 4.31Å; I878-F881 HydrophobicContact CB-CG 4.45Å; I878-F881 HydrophobicContact CD1-CD2 3.97Å; I878-F881 HydrophobicContact CD1-CE2 4.41Å; I878-F881 HydrophobicContact CG2-CB 3.95Å; I878-F881 HydrophobicContact CG2-CD2 4.23Å; I878-F881 WeakPolarHBondContact O-CB 3.43Å; I878-F881 PolarHBondContact O-N 2.88Å; I878-L897 HydrophobicContact CD1-CD2 4.36Å; I878-L900 HydrophobicContact CD1-CD2 3.61Å; I878-L900 HydrophobicContact CG1-CD2 4.32Å; I878-D921 HydrophobicContact CD1-CB 4.45Å; I878-L965 HydrophobicContact CD1-CD1 4.48Å; I878-L965 HydrophobicContact CG2-CD1 3.52Å; I878-L965 HydrophobicContact CG2-CG 4.46Å; I878-L967 HydrophobicContact CG1-CD1 4.41Å
879	V	88.8	Confident	88.8	Confident	46 Å²	46	43.1 Å²	43.1	28%	0.279	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	115.1	-178	-177.9	0	0	0	0	110.5	R966 R968 A1007	V879-R966 HydrophobicContact CB-CB 4.14Å; V879-R966 PolarHBondContact N-O 3.45Å; V879-R968 HydrophobicContact CG2-CB 3.95Å; V879-R968 HydrophobicContact CG2-CG 3.82Å; V879-A1007 HydrophobicContact CG2-CB 4.08Å
880	G	84.8	Confident	88.9	Confident	43 Å²	43	41.4 Å²	41.4	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	14.1	178.8	0	0	0	0	0	114.5	I878 T882 S883 L884	I878-G880 PolarHBondContact O-N 2.9Å; I878-G880 VanDerWaalsContact O-N 3.1Å; G880-T882 VanDerWaalsContact C-N 3.3Å; G880-T882 PolarHBondContact O-N 2.81Å; G880-S883 PolarHBondContact O-N 2.98Å; G880-L884 PolarHBondContact O-N 2.59Å
881	F	86.6	Confident	88.7	Confident	24 Å²	24	45.3 Å²	45.3	11%	0.105	28%	0.282	C	S	.	.	H	α-helix	trans	-57	-39	179	-176.8	-101.1	0	0	0	113.7	I878 S883 L884 S885 V893 L897 D921	I878-F881 HydrophobicContact CB-CB 3.92Å; I878-F881 HydrophobicContact CB-CD2 4.31Å; I878-F881 HydrophobicContact CB-CG 4.45Å; I878-F881 HydrophobicContact CD1-CD2 3.97Å; I878-F881 HydrophobicContact CD1-CE2 4.41Å; I878-F881 HydrophobicContact CG2-CB 3.95Å; I878-F881 HydrophobicContact CG2-CD2 4.23Å; I878-F881 WeakPolarHBondContact O-CB 3.43Å; I878-F881 PolarHBondContact O-N 2.88Å; F881-S883 VanDerWaalsContact C-N 3.31Å; F881-S883 PolarHBondContact O-N 2.82Å; F881-L884 PolarHBondContact O-N 3Å; F881-L884 VanDerWaalsContact O-N 3.14Å; F881-S885 WeakPolarHBondContact O-CB 3.25Å; F881-S885 PolarHBondContact O-N 2.83Å; F881-S885 PolarHBondContact O-OG 2.97Å; F881-S885 VanDerWaalsContact O-OG 3.11Å; F881-V893 HydrophobicContact CE2-CG1 4.33Å; F881-V893 HydrophobicContact CZ-CG1 3.91Å; F881-L897 HydrophobicContact CE2-CD2 3.88Å; F881-L897 HydrophobicContact CE2-CG 4.37Å; F881-L897 HydrophobicContact CZ-CD1 4.16Å; F881-L897 HydrophobicContact CZ-CD2 4.16Å; F881-L897 HydrophobicContact CZ-CG 4.42Å; F881-D921 HydrophobicContact CB-CB 4.22Å; F881-D921 WeakPolarHBondContact CB-OD2 3.45Å; F881-D921 HydrophobicContact CD1-CB 3.47Å; F881-D921 VanDerWaalsContact CD1-CB 3.47Å; F881-D921 VanDerWaalsContact CD1-CG 3.5Å; F881-D921 WeakPolarHBondContact CD1-OD2 3.49Å; F881-D921 HydrophobicContact CD2-CB 4.07Å; F881-D921 HydrophobicContact CE1-CB 3.76Å; F881-D921 HydrophobicContact CE2-CB 4.32Å; F881-D921 HydrophobicContact CG-CB 3.64Å; F881-D921 VanDerWaalsContact CG-OD2 3.26Å; F881-D921 WeakPolarHBondContact CG-OD2 3.32Å; F881-D921 HydrophobicContact CZ-CB 4.17Å
882	T	85.4	Confident	88.5	Confident	109 Å²	109	48.9 Å²	48.9	67%	0.669	30%	0.299	S	S	*	.	H	α-helix	trans	-57.2	-44.5	177.8	-45.6	0	0	0	0	111.6	G880 S885 A886	G880-T882 VanDerWaalsContact C-N 3.3Å; G880-T882 PolarHBondContact O-N 2.81Å; T882-S885 PolarHBondContact O-OG 3.04Å; T882-A886 WeakPolarHBondContact O-CB 3.41Å; T882-A886 PolarHBondContact O-N 3.26Å; T882-A886 VanDerWaalsContact O-N 3.09Å
883	S	84.1	Confident	88.1	Confident	77 Å²	77	49.8 Å²	49.8	54%	0.538	30%	0.304	S	S	.	.	H	α-helix	trans	-68.3	-42.5	175.4	-52.3	0	0	0	0	111.7	G880 F881 S885 A886 E887	G880-S883 PolarHBondContact O-N 2.98Å; F881-S883 VanDerWaalsContact C-N 3.31Å; F881-S883 PolarHBondContact O-N 2.82Å; S883-S885 VanDerWaalsContact C-N 3.32Å; S883-S885 PolarHBondContact O-N 2.92Å; S883-A886 PolarHBondContact O-N 3.36Å; S883-E887 WeakPolarHBondContact O-CG 3.2Å; S883-E887 PolarHBondContact O-N 3.21Å
884	L	83.9	Confident	87.7	Confident	25 Å²	25	53.3 Å²	53.3	13%	0.131	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-39.7	179.1	-171.9	149.2	0	0	0	112.4	G880 F881 S888 L896 I957	G880-L884 PolarHBondContact O-N 2.59Å; F881-L884 PolarHBondContact O-N 3Å; F881-L884 VanDerWaalsContact O-N 3.14Å; L884-S888 VanDerWaalsContact O-CB 3.28Å; L884-S888 WeakPolarHBondContact O-CB 3.4Å; L884-S888 PolarHBondContact O-N 3.1Å; L884-S888 PolarHBondContact O-OG 2.85Å; L884-L896 HydrophobicContact CD2-CD2 3.51Å; L884-I957 HydrophobicContact CD1-CD1 4.04Å
885	S	86.4	Confident	87.3	Confident	40 Å²	40	56 Å²	56	28%	0.28	34%	0.342	S	S	.	.	H	α-helix	trans	-72.8	-33.8	177.6	69.3	0	0	0	0	112.6	F881 T882 S883 E887 S888	F881-S885 WeakPolarHBondContact O-CB 3.25Å; F881-S885 PolarHBondContact O-N 2.83Å; F881-S885 PolarHBondContact O-OG 2.97Å; F881-S885 VanDerWaalsContact O-OG 3.11Å; T882-S885 PolarHBondContact O-OG 3.04Å; S883-S885 VanDerWaalsContact C-N 3.32Å; S883-S885 PolarHBondContact O-N 2.92Å; S885-E887 VanDerWaalsContact C-N 3.3Å; S885-E887 PolarHBondContact O-N 3.13Å; S885-S888 PolarHBondContact O-N 3.07Å
886	A	86.4	Confident	87	Confident	87 Å²	87	55.1 Å²	55.1	72%	0.719	34%	0.338	S	S	*	.	H	α-helix	trans	-68	-29.6	176.5	0	0	0	0	0	112.8	T882 S883	T882-A886 WeakPolarHBondContact O-CB 3.41Å; T882-A886 PolarHBondContact O-N 3.26Å; T882-A886 VanDerWaalsContact O-N 3.09Å; S883-A886 PolarHBondContact O-N 3.36Å
887	E	86.2	Confident	86.8	Confident	127 Å²	127	56.5 Å²	56.5	59%	0.593	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	2.2	-179.4	-57.9	175.5	-175.9	0	0	114.2	S883 S885 R960	S883-E887 WeakPolarHBondContact O-CG 3.2Å; S883-E887 PolarHBondContact O-N 3.21Å; S885-E887 VanDerWaalsContact C-N 3.3Å; S885-E887 PolarHBondContact O-N 3.13Å; E887-R960 PolarHBondContact O-NH2 3.29Å; E887-R960 VanDerWaalsContact O-NH2 3.15Å; E887-R960 IonicContact OE2-CZ 3.72Å; E887-R960 IonicContact OE2-NH1 3.23Å; E887-R960 PolarHBondContact OE2-NH1 2.84Å; E887-R960 IonicContact OE2-NH2 2.63Å; E887-R960 PolarHBondContact OE2-NH2 3.46Å
888	S	86.8	Confident	86.6	Confident	14 Å²	14	60 Å²	60	10%	0.098	36%	0.364	C	S	.	.	S	Bend	trans	-114.2	151.8	179	-61.3	0	0	0	0	110.5	L884 S885 H959	L884-S888 VanDerWaalsContact O-CB 3.28Å; L884-S888 WeakPolarHBondContact O-CB 3.4Å; L884-S888 PolarHBondContact O-N 3.1Å; L884-S888 PolarHBondContact O-OG 2.85Å; S885-S888 PolarHBondContact O-N 3.07Å; S888-H959 PolarHBondContact OG-NE2 3.23Å
889	T	90.5	Very high	86.5	Confident	72 Å²	72	62.2 Å²	62.2	44%	0.442	38%	0.376	S	S	.	.			trans	-70.8	151	172.9	63.7	0	0	0	0	110.7	L891 Q892 V893	T889-L891 PolarHBondContact O-N 3.2Å; T889-L891 VanDerWaalsContact O-N 3.16Å; T889-Q892 WeakPolarHBondContact O-CB 3.23Å; T889-Q892 PolarHBondContact O-N 3.29Å; T889-Q892 WeakPolarHBondContact OG1-CB 3.44Å; T889-Q892 WeakPolarHBondContact OG1-CG 3.36Å; T889-Q892 PolarHBondContact OG1-N 3.42Å; T889-Q892 PolarHBondContact OG1-OE1 2.73Å; T889-V893 PolarHBondContact O-N 2.76Å
890	P	87.3	Confident	86.5	Confident	107 Å²	107	60 Å²	60	70%	0.695	36%	0.363	S	S	*	.	H	α-helix	trans	-53.9	-38	178.8	-28.8	35.5	0	0	0	113.8	V893 V894	P890-V893 PolarHBondContact O-N 2.98Å; P890-V894 WeakPolarHBondContact O-CG2 3.44Å; P890-V894 PolarHBondContact O-N 3.3Å
891	L	85.7	Confident	86.6	Confident	134 Å²	134	59.7 Å²	59.7	70%	0.702	35%	0.349	S	S	*	.	H	α-helix	trans	-65.9	-40.4	177.3	-173	65	0	0	0	112	T889 V894 T895	T889-L891 PolarHBondContact O-N 3.2Å; T889-L891 VanDerWaalsContact O-N 3.16Å; L891-V894 PolarHBondContact O-N 3.13Å; L891-T895 PolarHBondContact O-N 3.48Å; L891-T895 PolarHBondContact O-OG1 3.1Å
892	Q	88.5	Confident	86.6	Confident	74 Å²	74	63.1 Å²	63.1	35%	0.346	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-36.7	176.1	-73	164.3	-29.1	0	0	112.2	T889 T895 L896 H959	T889-Q892 WeakPolarHBondContact O-CB 3.23Å; T889-Q892 PolarHBondContact O-N 3.29Å; T889-Q892 WeakPolarHBondContact OG1-CB 3.44Å; T889-Q892 WeakPolarHBondContact OG1-CG 3.36Å; T889-Q892 PolarHBondContact OG1-N 3.42Å; T889-Q892 PolarHBondContact OG1-OE1 2.73Å; Q892-T895 PolarHBondContact O-N 3.35Å; Q892-L896 WeakPolarHBondContact O-CB 3.23Å; Q892-L896 PolarHBondContact O-N 2.91Å; Q892-H959 HydrophobicContact CG-CB 4.36Å
893	V	86.6	Confident	86.7	Confident	20 Å²	20	59.5 Å²	59.5	12%	0.121	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-42.9	175.3	177.9	0	0	0	0	110.8	F881 T889 P890 L896 L897	F881-V893 HydrophobicContact CE2-CG1 4.33Å; F881-V893 HydrophobicContact CZ-CG1 3.91Å; T889-V893 PolarHBondContact O-N 2.76Å; P890-V893 PolarHBondContact O-N 2.98Å; V893-L896 PolarHBondContact O-N 3Å; V893-L897 HydrophobicContact CG1-CD1 4.19Å; V893-L897 WeakPolarHBondContact O-CG 3.5Å; V893-L897 PolarHBondContact O-N 3.48Å
894	V	86.2	Confident	86.9	Confident	74 Å²	74	56 Å²	56	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-45.7	175.7	171.7	0	0	0	0	111.1	P890 L891 L896 L897 N898	P890-V894 WeakPolarHBondContact O-CG2 3.44Å; P890-V894 PolarHBondContact O-N 3.3Å; L891-V894 PolarHBondContact O-N 3.13Å; V894-L896 VanDerWaalsContact C-N 3.35Å; V894-L896 PolarHBondContact O-N 2.89Å; V894-L897 PolarHBondContact O-N 2.82Å; V894-N898 WeakPolarHBondContact O-CB 3.11Å; V894-N898 VanDerWaalsContact O-CG 3.3Å; V894-N898 PolarHBondContact O-N 2.67Å; V894-N898 PolarHBondContact O-ND2 3.42Å
895	T	85.3	Confident	87.1	Confident	55 Å²	55	57.1 Å²	57.1	34%	0.337	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-42.7	177	-56.9	0	0	0	0	111.7	L891 Q892 N898 D899	L891-T895 PolarHBondContact O-N 3.48Å; L891-T895 PolarHBondContact O-OG1 3.1Å; Q892-T895 PolarHBondContact O-N 3.35Å; T895-N898 PolarHBondContact O-N 3.13Å; T895-D899 WeakPolarHBondContact O-CB 3.38Å; T895-D899 VanDerWaalsContact O-CG 3.23Å; T895-D899 PolarHBondContact O-N 3.44Å
896	L	86.4	Confident	87.1	Confident	5 Å²	5	58 Å²	58	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-48	176.2	171.6	61.6	0	0	0	112.2	L884 Q892 V893 V894 D899 L900 F955 I957	L884-L896 HydrophobicContact CD2-CD2 3.51Å; Q892-L896 WeakPolarHBondContact O-CB 3.23Å; Q892-L896 PolarHBondContact O-N 2.91Å; V893-L896 PolarHBondContact O-N 3Å; V894-L896 VanDerWaalsContact C-N 3.35Å; V894-L896 PolarHBondContact O-N 2.89Å; L896-D899 PolarHBondContact O-N 3.11Å; L896-L900 WeakPolarHBondContact O-CB 3.46Å; L896-L900 PolarHBondContact O-N 2.91Å; L896-F955 HydrophobicContact CD1-CE1 3.82Å; L896-F955 HydrophobicContact CD1-CZ 4.24Å; L896-I957 HydrophobicContact CD1-CB 4.46Å; L896-I957 HydrophobicContact CD1-CG1 3.97Å; L896-I957 HydrophobicContact CD1-CG2 4.13Å
897	L	87.3	Confident	87.2	Confident	30 Å²	30	54.8 Å²	54.8	16%	0.157	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-40.4	179.1	-71.7	175.9	0	0	0	111.4	I878 F881 V893 V894 L900 Y901	I878-L897 HydrophobicContact CD1-CD2 4.36Å; F881-L897 HydrophobicContact CE2-CD2 3.88Å; F881-L897 HydrophobicContact CE2-CG 4.37Å; F881-L897 HydrophobicContact CZ-CD1 4.16Å; F881-L897 HydrophobicContact CZ-CD2 4.16Å; F881-L897 HydrophobicContact CZ-CG 4.42Å; V893-L897 HydrophobicContact CG1-CD1 4.19Å; V893-L897 WeakPolarHBondContact O-CG 3.5Å; V893-L897 PolarHBondContact O-N 3.48Å; V894-L897 PolarHBondContact O-N 2.82Å; L897-L900 PolarHBondContact O-N 3.35Å; L897-Y901 HydrophobicContact CB-CD2 4.28Å; L897-Y901 HydrophobicContact CB-CE2 4.05Å; L897-Y901 HydrophobicContact CD2-CE2 4.22Å; L897-Y901 WeakPolarHBondContact O-CB 3.3Å; L897-Y901 WeakPolarHBondContact O-CD2 3.35Å; L897-Y901 VanDerWaalsContact O-CG 3.26Å; L897-Y901 PolarHBondContact O-N 3.18Å
898	N	86.8	Confident	87.3	Confident	91 Å²	91	49.4 Å²	49.4	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-64.3	-44.9	176.1	-74.9	-17.9	0	0	0	111.9	V894 T895 L900 Y901 T902	V894-N898 WeakPolarHBondContact O-CB 3.11Å; V894-N898 VanDerWaalsContact O-CG 3.3Å; V894-N898 PolarHBondContact O-N 2.67Å; V894-N898 PolarHBondContact O-ND2 3.42Å; T895-N898 PolarHBondContact O-N 3.13Å; N898-L900 VanDerWaalsContact C-N 3.32Å; N898-L900 PolarHBondContact O-N 2.85Å; N898-Y901 PolarHBondContact O-N 3.02Å; N898-T902 VanDerWaalsContact O-CB 3.25Å; N898-T902 WeakPolarHBondContact O-CB 3.3Å; N898-T902 PolarHBondContact O-N 3.06Å; N898-T902 PolarHBondContact O-OG1 2.87Å
899	D	87.1	Confident	87.3	Confident	52 Å²	52	55.2 Å²	55.2	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-41.4	177.7	-71.8	-13.7	0	0	0	110.7	T895 L896 C903 F955 R958	T895-D899 WeakPolarHBondContact O-CB 3.38Å; T895-D899 VanDerWaalsContact O-CG 3.23Å; T895-D899 PolarHBondContact O-N 3.44Å; L896-D899 PolarHBondContact O-N 3.11Å; D899-C903 WeakPolarHBondContact O-CB 3.48Å; D899-C903 PolarHBondContact O-N 3.46Å; D899-F955 HydrophobicContact CB-CE2 4.23Å; D899-F955 HydrophobicContact CB-CZ 3.96Å; D899-R958 WeakPolarHBondContact OD2-CD 3.16Å
900	L	87.3	Confident	87.2	Confident	1 Å²	1	58 Å²	58	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-68.4	-48.8	178	-175.7	65.8	0	0	0	112.3	I878 L896 L897 N898 T902 C903 F904 F955 L965	I878-L900 HydrophobicContact CD1-CD2 3.61Å; I878-L900 HydrophobicContact CG1-CD2 4.32Å; L896-L900 WeakPolarHBondContact O-CB 3.46Å; L896-L900 PolarHBondContact O-N 2.91Å; L897-L900 PolarHBondContact O-N 3.35Å; N898-L900 VanDerWaalsContact C-N 3.32Å; N898-L900 PolarHBondContact O-N 2.85Å; L900-T902 VanDerWaalsContact C-N 3.35Å; L900-T902 PolarHBondContact O-N 3.25Å; L900-C903 WeakPolarHBondContact O-CB 3.44Å; L900-C903 PolarHBondContact O-N 3.4Å; L900-F904 HydrophobicContact CD1-CD1 4.19Å; L900-F904 HydrophobicContact CD1-CE1 3.52Å; L900-F904 HydrophobicContact CD1-CE2 4.36Å; L900-F904 HydrophobicContact CD1-CZ 3.62Å; L900-F904 HydrophobicContact CD2-CE2 4.46Å; L900-F904 HydrophobicContact CD2-CZ 4.35Å; L900-F904 HydrophobicContact CG-CE1 4.13Å; L900-F904 HydrophobicContact CG-CE2 4.21Å; L900-F904 HydrophobicContact CG-CZ 3.96Å; L900-F904 WeakPolarHBondContact O-CD1 3.36Å; L900-F904 WeakPolarHBondContact O-CG 3.34Å; L900-F904 PolarHBondContact O-N 2.98Å; L900-F955 HydrophobicContact CB-CZ 4.22Å; L900-F955 HydrophobicContact CD1-CE1 4.47Å; L900-F955 HydrophobicContact CD1-CZ 4.45Å; L900-L965 HydrophobicContact CD1-CD2 3.53Å; L900-L965 HydrophobicContact CD2-CD2 3.86Å; L900-L965 HydrophobicContact CG-CD2 4.32Å
901	Y	87.4	Confident	87.3	Confident	36 Å²	36	55.4 Å²	55.4	14%	0.141	31%	0.307	C	S	.	.	H	α-helix	trans	-68.8	-32.9	-180	-66.5	-34.8	0	0	0	112.3	L897 N898 C903 F904 D905 G920 Y923	L897-Y901 HydrophobicContact CB-CD2 4.28Å; L897-Y901 HydrophobicContact CB-CE2 4.05Å; L897-Y901 HydrophobicContact CD2-CE2 4.22Å; L897-Y901 WeakPolarHBondContact O-CB 3.3Å; L897-Y901 WeakPolarHBondContact O-CD2 3.35Å; L897-Y901 VanDerWaalsContact O-CG 3.26Å; L897-Y901 PolarHBondContact O-N 3.18Å; N898-Y901 PolarHBondContact O-N 3.02Å; Y901-C903 VanDerWaalsContact C-N 3.3Å; Y901-C903 PolarHBondContact O-N 2.8Å; Y901-F904 HydrophobicContact CD1-CD2 4.5Å; Y901-F904 PolarHBondContact O-N 2.82Å; Y901-D905 WeakPolarHBondContact O-CB 3.41Å; Y901-D905 PolarHBondContact O-N 2.79Å; Y901-G920 PolarHBondContact OH-O 2.9Å; Y901-Y923 AromaticContact CD1-CD2 3.58Å; Y901-Y923 HydrophobicContact CD1-CD2 3.58Å; Y901-Y923 AromaticContact CD1-CE2 3.76Å; Y901-Y923 HydrophobicContact CD1-CE2 3.76Å; Y901-Y923 AromaticContact CE1-CD2 3.51Å; Y901-Y923 HydrophobicContact CE1-CD2 3.51Å; Y901-Y923 HydrophobicContact CE1-CE2 4.17Å; Y901-Y923 HydrophobicContact CE1-CG 4.36Å
902	T	87.1	Confident	87.5	Confident	95 Å²	95	53.2 Å²	53.2	58%	0.583	30%	0.296	S	S	*	.	H	α-helix	trans	-63	-40.5	172.2	-56.7	0	0	0	0	110.8	N898 L900 A906	N898-T902 VanDerWaalsContact O-CB 3.25Å; N898-T902 WeakPolarHBondContact O-CB 3.3Å; N898-T902 PolarHBondContact O-N 3.06Å; N898-T902 PolarHBondContact O-OG1 2.87Å; L900-T902 VanDerWaalsContact C-N 3.35Å; L900-T902 PolarHBondContact O-N 3.25Å; T902-A906 WeakPolarHBondContact O-CB 3.35Å; T902-A906 PolarHBondContact O-N 3.01Å; T902-A906 VanDerWaalsContact O-N 3.13Å
903	C	86.8	Confident	87.5	Confident	34 Å²	34	51 Å²	51	23%	0.23	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-43.4	174.9	-179.3	0	0	0	0	111.6	D899 L900 Y901 I907	D899-C903 WeakPolarHBondContact O-CB 3.48Å; D899-C903 PolarHBondContact O-N 3.46Å; L900-C903 WeakPolarHBondContact O-CB 3.44Å; L900-C903 PolarHBondContact O-N 3.4Å; Y901-C903 VanDerWaalsContact C-N 3.3Å; Y901-C903 PolarHBondContact O-N 2.8Å; C903-I907 WeakPolarHBondContact O-CD1 3.41Å; C903-I907 WeakPolarHBondContact O-CG1 3.18Å; C903-I907 PolarHBondContact O-N 3.39Å
904	F	89.9	Confident	87.5	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.009	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-44.7	178.3	-72.1	6.9	0	0	0	111.9	L900 Y901 A906 I907 I908 Y923 L948 V952 L967	L900-F904 HydrophobicContact CD1-CD1 4.19Å; L900-F904 HydrophobicContact CD1-CE1 3.52Å; L900-F904 HydrophobicContact CD1-CE2 4.36Å; L900-F904 HydrophobicContact CD1-CZ 3.62Å; L900-F904 HydrophobicContact CD2-CE2 4.46Å; L900-F904 HydrophobicContact CD2-CZ 4.35Å; L900-F904 HydrophobicContact CG-CE1 4.13Å; L900-F904 HydrophobicContact CG-CE2 4.21Å; L900-F904 HydrophobicContact CG-CZ 3.96Å; L900-F904 WeakPolarHBondContact O-CD1 3.36Å; L900-F904 WeakPolarHBondContact O-CG 3.34Å; L900-F904 PolarHBondContact O-N 2.98Å; Y901-F904 HydrophobicContact CD1-CD2 4.5Å; Y901-F904 PolarHBondContact O-N 2.82Å; F904-A906 VanDerWaalsContact C-N 3.28Å; F904-A906 PolarHBondContact O-N 3.46Å; F904-I907 PolarHBondContact O-N 2.86Å; F904-I908 WeakPolarHBondContact O-CG2 3.39Å; F904-I908 PolarHBondContact O-N 3.12Å; F904-Y923 HydrophobicContact CB-CE1 4.11Å; F904-Y923 HydrophobicContact CB-CE2 4.33Å; F904-Y923 AromaticContact CD2-CD1 3.86Å; F904-Y923 HydrophobicContact CD2-CD1 3.86Å; F904-Y923 HydrophobicContact CD2-CD2 4.19Å; F904-Y923 AromaticContact CD2-CE1 3.99Å; F904-Y923 HydrophobicContact CD2-CE1 3.99Å; F904-Y923 HydrophobicContact CD2-CE2 4.3Å; F904-Y923 AromaticContact CD2-CG 3.96Å; F904-Y923 HydrophobicContact CD2-CG 3.96Å; F904-Y923 HydrophobicContact CE2-CG 4.48Å; F904-L948 HydrophobicContact CB-CD2 3.99Å; F904-L948 HydrophobicContact CD1-CD2 3.49Å; F904-L948 VanDerWaalsContact CD1-CD2 3.49Å; F904-L948 HydrophobicContact CD2-CD2 4.35Å; F904-L948 HydrophobicContact CE1-CD2 3.98Å; F904-L948 HydrophobicContact CG-CD2 3.7Å; F904-V952 HydrophobicContact CE1-CG2 3.65Å; F904-V952 HydrophobicContact CZ-CG2 3.79Å; F904-L967 HydrophobicContact CZ-CD1 4.4Å; F904-L967 HydrophobicContact CZ-CD2 4.04Å
905	D	86.7	Confident	87.6	Confident	49 Å²	49	52.1 Å²	52.1	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-58.5	-41	179.5	-71	-7.6	0	0	0	110.5	Y901 I907 I908 D909 K915 Y923	Y901-D905 WeakPolarHBondContact O-CB 3.41Å; Y901-D905 PolarHBondContact O-N 2.79Å; D905-I907 VanDerWaalsContact C-N 3.29Å; D905-I907 PolarHBondContact O-N 2.96Å; D905-I908 WeakPolarHBondContact O-CG1 3.48Å; D905-I908 PolarHBondContact O-N 3.48Å; D905-D909 PolarHBondContact O-N 3.04Å; D905-K915 VanDerWaalsContact CG-NZ 3.26Å; D905-K915 IonicContact OD1-NZ 3.63Å; D905-K915 PolarHBondContact OD1-NZ 3.23Å; D905-K915 IonicContact OD2-NZ 3.06Å; D905-K915 PolarHBondContact OD2-NZ 3.01Å; D905-Y923 PolarHBondContact OD1-OH 3.27Å
906	A	87.6	Confident	87.5	Confident	59 Å²	59	50 Å²	50	49%	0.488	27%	0.271	S	S	.	.	H	α-helix	trans	-65.3	-27.2	175	0	0	0	0	0	114.4	T902 F904 N910	T902-A906 WeakPolarHBondContact O-CB 3.35Å; T902-A906 PolarHBondContact O-N 3.01Å; T902-A906 VanDerWaalsContact O-N 3.13Å; F904-A906 VanDerWaalsContact C-N 3.28Å; F904-A906 PolarHBondContact O-N 3.46Å; A906-N910 PolarHBondContact O-ND2 2.86Å; A906-N910 VanDerWaalsContact O-ND2 3.15Å
907	I	87.6	Confident	86.8	Confident	20 Å²	20	54.5 Å²	54.5	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-81.7	-45.4	178.9	-66.3	159.7	0	0	0	109.7	C903 F904 D905 D909 N910 F911 A947 L948 Q951	C903-I907 WeakPolarHBondContact O-CD1 3.41Å; C903-I907 WeakPolarHBondContact O-CG1 3.18Å; C903-I907 PolarHBondContact O-N 3.39Å; F904-I907 PolarHBondContact O-N 2.86Å; D905-I907 VanDerWaalsContact C-N 3.29Å; D905-I907 PolarHBondContact O-N 2.96Å; I907-D909 VanDerWaalsContact C-N 3.28Å; I907-D909 PolarHBondContact O-N 3.45Å; I907-N910 PolarHBondContact O-N 3.01Å; I907-N910 PolarHBondContact O-ND2 3.46Å; I907-F911 HydrophobicContact CG2-CE2 3.97Å; I907-F911 WeakPolarHBondContact O-CD2 3.46Å; I907-F911 WeakPolarHBondContact O-CE2 3.35Å; I907-A947 HydrophobicContact CG2-CB 4.06Å; I907-L948 HydrophobicContact CB-CD2 4.05Å; I907-L948 HydrophobicContact CD1-CD2 3.74Å; I907-L948 HydrophobicContact CG2-CD2 4.01Å; I907-L948 HydrophobicContact CG2-CG 4.18Å; I907-Q951 HydrophobicContact CD1-CB 3.82Å; I907-Q951 HydrophobicContact CD1-CG 3.63Å
908	I	89.1	Confident	85.6	Confident	13 Å²	13	55.5 Å²	55.5	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-27.8	-177.4	63.8	166.7	0	0	0	113.1	F904 D905 N910 F911 V913 K915 Y923 M944	F904-I908 WeakPolarHBondContact O-CG2 3.39Å; F904-I908 PolarHBondContact O-N 3.12Å; D905-I908 WeakPolarHBondContact O-CG1 3.48Å; D905-I908 PolarHBondContact O-N 3.48Å; I908-N910 PolarHBondContact O-N 2.86Å; I908-F911 PolarHBondContact O-N 3.31Å; I908-F911 VanDerWaalsContact O-O 3.13Å; I908-V913 HydrophobicContact CB-CG2 3.71Å; I908-V913 HydrophobicContact CG2-CG2 4.21Å; I908-K915 HydrophobicContact CD1-CB 4.17Å; I908-K915 HydrophobicContact CD1-CD 4.42Å; I908-Y923 WeakPolarHBondContact CD1-OH 3.47Å; I908-Y923 HydrophobicContact CG2-CE1 4.48Å; I908-M944 HydrophobicContact CG2-CG 4.14Å; I908-M944 HydrophobicContact CG2-SD 3.68Å
909	D	86.1	Confident	84.4	Confident	136 Å²	136	58.7 Å²	58.7	73%	0.727	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.5	176.3	-80.5	-14.5	0	0	0	113.1	D905 I907	D905-D909 PolarHBondContact O-N 3.04Å; I907-D909 VanDerWaalsContact C-N 3.28Å; I907-D909 PolarHBondContact O-N 3.45Å
910	N	88.9	Confident	83.6	Confident	130 Å²	130	58.9 Å²	58.9	70%	0.695	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.9	177.5	-58.3	-60.7	0	0	0	114	A906 I907 I908	A906-N910 PolarHBondContact O-ND2 2.86Å; A906-N910 VanDerWaalsContact O-ND2 3.15Å; I907-N910 PolarHBondContact O-N 3.01Å; I907-N910 PolarHBondContact O-ND2 3.46Å; I908-N910 PolarHBondContact O-N 2.86Å
911	F	89.5	Confident	83	Confident	54 Å²	54	60.6 Å²	60.6	24%	0.237	34%	0.338	C	S	.	.	S	Bend	trans	-122.7	154	-175.5	-60.9	-81.1	0	0	0	111	I907 I908 V913 M944 A947	I907-F911 HydrophobicContact CG2-CE2 3.97Å; I907-F911 WeakPolarHBondContact O-CD2 3.46Å; I907-F911 WeakPolarHBondContact O-CE2 3.35Å; I908-F911 PolarHBondContact O-N 3.31Å; I908-F911 VanDerWaalsContact O-O 3.13Å; F911-V913 HydrophobicContact CB-CG1 4.03Å; F911-V913 HydrophobicContact CB-CG2 4.2Å; F911-V913 PolarHBondContact O-N 3.15Å; F911-M944 HydrophobicContact CD1-CB 4.43Å; F911-M944 HydrophobicContact CD2-CB 3.94Å; F911-M944 HydrophobicContact CD2-CG 4.1Å; F911-M944 HydrophobicContact CE2-CB 4.24Å; F911-M944 HydrophobicContact CG-CB 4.04Å; F911-A947 HydrophobicContact CE2-CB 4.47Å; F911-A947 HydrophobicContact CZ-CB 4.37Å
912	D	88.4	Confident	82.6	Confident	87 Å²	87	60 Å²	60	47%	0.465	34%	0.34	S	S	.	.	S	Bend	trans	-78.8	75.1	176.2	179	34.5	0	0	0	110.7	S927 N933 E940	D912-S927 WeakPolarHBondContact O-CB 3.43Å; D912-S927 PolarHBondContact O-OG 3.05Å; D912-N933 WeakPolarHBondContact OD2-CB 3.37Å; D912-N933 PolarHBondContact OD2-ND2 3.03Å; D912-E940 HydrophobicContact CB-CG 4.14Å; D912-E940 PolarHBondContact N-OE2 3.02Å
913	V	88.8	Confident	82.7	Confident	27 Å²	27	55.6 Å²	55.6	16%	0.164	31%	0.313	C	S	.	.			trans	-137.8	147.8	-175.3	-58.4	0	0	0	0	111.9	I908 F911 V925 E940 V941 M944	I908-V913 HydrophobicContact CB-CG2 3.71Å; I908-V913 HydrophobicContact CG2-CG2 4.21Å; F911-V913 HydrophobicContact CB-CG1 4.03Å; F911-V913 HydrophobicContact CB-CG2 4.2Å; F911-V913 PolarHBondContact O-N 3.15Å; V913-V925 HydrophobicContact CB-CG1 3.51Å; V913-V925 HydrophobicContact CG1-CG1 4.16Å; V913-V925 HydrophobicContact CG2-CG1 3.8Å; V913-E940 HydrophobicContact CG1-CB 4.28Å; V913-V941 HydrophobicContact CG1-CG2 4.37Å; V913-M944 HydrophobicContact CB-SD 4.44Å; V913-M944 HydrophobicContact CG1-SD 4.08Å; V913-M944 HydrophobicContact CG2-SD 4.04Å
914	Y	87.9	Confident	82.8	Confident	44 Å²	44	54.8 Å²	54.8	17%	0.173	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.2	176.3	178.3	-107.7	0	0	0	110.9	P850 V916 V926 L929 Y988	P850-Y914 HydrophobicContact CB-CE2 4.26Å; P850-Y914 HydrophobicContact CG-CD2 4.19Å; P850-Y914 HydrophobicContact CG-CE1 4.32Å; P850-Y914 HydrophobicContact CG-CE2 3.59Å; Y914-V916 HydrophobicContact CD1-CG2 4.14Å; Y914-V916 HydrophobicContact CE1-CG2 4.33Å; Y914-V926 HydrophobicContact CD1-CG1 4.08Å; Y914-V926 PolarHBondContact N-O 3.44Å; Y914-V926 PolarHBondContact O-N 3.38Å; Y914-L929 HydrophobicContact CD1-CD1 4.14Å; Y914-Y988 HydrophobicContact CD1-CD1 4.49Å; Y914-Y988 AromaticContact CE1-CD1 3.82Å; Y914-Y988 HydrophobicContact CE1-CD1 3.82Å
915	K	88	Confident	82.9	Confident	74 Å²	74	54.7 Å²	54.7	32%	0.322	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.4	175.1	179.4	177.8	178.4	172.3	0	110.2	D905 I908 Y923	D905-K915 VanDerWaalsContact CG-NZ 3.26Å; D905-K915 IonicContact OD1-NZ 3.63Å; D905-K915 PolarHBondContact OD1-NZ 3.23Å; D905-K915 IonicContact OD2-NZ 3.06Å; D905-K915 PolarHBondContact OD2-NZ 3.01Å; I908-K915 HydrophobicContact CD1-CB 4.17Å; I908-K915 HydrophobicContact CD1-CD 4.42Å; K915-Y923 HydrophobicContact CD-CE2 4.43Å
916	V	82.5	Confident	83.1	Confident	11 Å²	11	52.3 Å²	52.3	7%	0.067	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-94.2	148.5	175.5	-174.9	0	0	0	0	108.7	Y914 T918 M924 V926 L990	Y914-V916 HydrophobicContact CD1-CG2 4.14Å; Y914-V916 HydrophobicContact CE1-CG2 4.33Å; V916-T918 PolarHBondContact O-N 3.39Å; V916-M924 HydrophobicContact CB-CB 4.32Å; V916-M924 HydrophobicContact CB-CE 4.29Å; V916-M924 HydrophobicContact CB-CG 3.97Å; V916-M924 HydrophobicContact CB-SD 3.88Å; V916-M924 HydrophobicContact CG1-CE 4.12Å; V916-M924 HydrophobicContact CG1-CG 4.49Å; V916-M924 HydrophobicContact CG1-SD 3.73Å; V916-M924 HydrophobicContact CG2-CE 4.22Å; V916-M924 HydrophobicContact CG2-CG 4.4Å; V916-M924 HydrophobicContact CG2-SD 4.44Å; V916-M924 PolarHBondContact N-O 3.09Å; V916-M924 VanDerWaalsContact N-O 3.09Å; V916-V926 HydrophobicContact CG2-CB 4.38Å; V916-V926 HydrophobicContact CG2-CG1 3.72Å; V916-L990 HydrophobicContact CB-CD1 4.39Å; V916-L990 HydrophobicContact CG1-CD1 3.83Å; V916-L990 HydrophobicContact CG2-CD1 3.56Å; V916-L990 HydrophobicContact CG2-CD2 4.5Å
917	E	71.4	Confident	83.4	Confident	100 Å²	100	49.6 Å²	49.6	47%	0.467	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-54.9	131.2	175.4	-71.1	-168.6	163.9	0	0	111.7	R987	E917-R987 WeakPolarHBondContact OE1-CG 3.49Å; E917-R987 IonicContact OE1-CZ 3.56Å; E917-R987 IonicContact OE1-NE 3.85Å; E917-R987 PolarHBondContact OE1-NE 3.48Å; E917-R987 WeakPolarHBondContact OE2-CD 3.36Å; E917-R987 IonicContact OE2-CZ 3.01Å; E917-R987 IonicContact OE2-NE 3.68Å; E917-R987 PolarHBondContact OE2-NE 2.8Å; E917-R987 IonicContact OE2-NH1 3.75Å; E917-R987 PolarHBondContact OE2-NH1 3.37Å
918	T	62.5	Low	83.3	Confident	51 Å²	51	48.8 Å²	48.8	31%	0.313	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-100.7	154.9	-176.5	52.6	0	0	0	0	112.3	V916 A922 Y923 M924	V916-T918 PolarHBondContact O-N 3.39Å; T918-A922 WeakPolarHBondContact CB-O 3.35Å; T918-A922 WeakPolarHBondContact CG2-O 3.43Å; T918-Y923 HydrophobicContact CG2-CD2 4.33Å; T918-M924 HydrophobicContact CG2-CB 4.27Å
919	I	61.9	Low	83.2	Confident	157 Å²	157	48.6 Å²	48.6	81%	0.805	27%	0.266	S	S	*	.			trans	-120.5	116.5	175.1	-58	174.8	0	0	0	107.9
920	G	69.3	Low	82.6	Confident	56 Å²	56	43.4 Å²	43.4	58%	0.577	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	-131.3	178.5	0	0	0	0	0	113	Y901	Y901-G920 PolarHBondContact OH-O 2.9Å
921	D	75	Confident	82.3	Confident	38 Å²	38	42 Å²	42	20%	0.203	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.7	-180	48.7	-18.9	0	0	0	114.3	I878 F881	I878-D921 HydrophobicContact CD1-CB 4.45Å; F881-D921 HydrophobicContact CB-CB 4.22Å; F881-D921 WeakPolarHBondContact CB-OD2 3.45Å; F881-D921 HydrophobicContact CD1-CB 3.47Å; F881-D921 VanDerWaalsContact CD1-CB 3.47Å; F881-D921 VanDerWaalsContact CD1-CG 3.5Å; F881-D921 WeakPolarHBondContact CD1-OD2 3.49Å; F881-D921 HydrophobicContact CD2-CB 4.07Å; F881-D921 HydrophobicContact CE1-CB 3.76Å; F881-D921 HydrophobicContact CE2-CB 4.32Å; F881-D921 HydrophobicContact CG-CB 3.64Å; F881-D921 VanDerWaalsContact CG-OD2 3.26Å; F881-D921 WeakPolarHBondContact CG-OD2 3.32Å; F881-D921 HydrophobicContact CZ-CB 4.17Å
922	A	80.3	Confident	82.2	Confident	23 Å²	23	46 Å²	46	19%	0.19	26%	0.255	C	S	.	.			trans	-74.1	140.4	177.8	0	0	0	0	0	111.7	S876 T918	S876-A922 CarbonylContact O-C 3.58Å; S876-A922 WeakPolarHBondContact O-CA 3.38Å; T918-A922 WeakPolarHBondContact CB-O 3.35Å; T918-A922 WeakPolarHBondContact CG2-O 3.43Å
923	Y	87.9	Confident	82.1	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125	172.5	-164.6	-104.3	0	0	0	110.1	Y874 S876 Y901 F904 D905 I908 K915 T918 V925	Y874-Y923 HydrophobicContact CE1-CD1 4.12Å; S876-Y923 PolarHBondContact N-O 2.94Å; S876-Y923 PolarHBondContact O-N 2.92Å; S876-Y923 WeakPolarHBondContact OG-CB 3.32Å; Y901-Y923 AromaticContact CD1-CD2 3.58Å; Y901-Y923 HydrophobicContact CD1-CD2 3.58Å; Y901-Y923 AromaticContact CD1-CE2 3.76Å; Y901-Y923 HydrophobicContact CD1-CE2 3.76Å; Y901-Y923 AromaticContact CE1-CD2 3.51Å; Y901-Y923 HydrophobicContact CE1-CD2 3.51Å; Y901-Y923 HydrophobicContact CE1-CE2 4.17Å; Y901-Y923 HydrophobicContact CE1-CG 4.36Å; F904-Y923 HydrophobicContact CB-CE1 4.11Å; F904-Y923 HydrophobicContact CB-CE2 4.33Å; F904-Y923 AromaticContact CD2-CD1 3.86Å; F904-Y923 HydrophobicContact CD2-CD1 3.86Å; F904-Y923 HydrophobicContact CD2-CD2 4.19Å; F904-Y923 AromaticContact CD2-CE1 3.99Å; F904-Y923 HydrophobicContact CD2-CE1 3.99Å; F904-Y923 HydrophobicContact CD2-CE2 4.3Å; F904-Y923 AromaticContact CD2-CG 3.96Å; F904-Y923 HydrophobicContact CD2-CG 3.96Å; F904-Y923 HydrophobicContact CE2-CG 4.48Å; D905-Y923 PolarHBondContact OD1-OH 3.27Å; I908-Y923 WeakPolarHBondContact CD1-OH 3.47Å; I908-Y923 HydrophobicContact CG2-CE1 4.48Å; K915-Y923 HydrophobicContact CD-CE2 4.43Å; T918-Y923 HydrophobicContact CG2-CD2 4.33Å; Y923-V925 HydrophobicContact CD1-CG2 3.76Å; Y923-V925 HydrophobicContact CE1-CG2 3.41Å; Y923-V925 VanDerWaalsContact CE1-CG2 3.41Å
924	M	89.5	Confident	82	Confident	17 Å²	17	44.3 Å²	44.3	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.6	-171.9	-174.7	-177	173.8	0	0	110.9	I873 Y874 F875 V916 T918 L990 V995	I873-M924 HydrophobicContact CG2-CE 3.91Å; Y874-M924 WeakPolarHBondContact O-CA 3.36Å; F875-M924 HydrophobicContact CD1-CB 4.45Å; F875-M924 HydrophobicContact CD1-CG 4.48Å; F875-M924 HydrophobicContact CE1-CB 4.15Å; F875-M924 HydrophobicContact CE1-CG 3.98Å; F875-M924 HydrophobicContact CE1-SD 3.94Å; F875-M924 HydrophobicContact CE2-CE 4.02Å; F875-M924 HydrophobicContact CE2-CG 4.1Å; F875-M924 HydrophobicContact CE2-SD 4.09Å; F875-M924 HydrophobicContact CZ-CB 4.45Å; F875-M924 HydrophobicContact CZ-CE 3.88Å; F875-M924 HydrophobicContact CZ-CG 3.78Å; F875-M924 HydrophobicContact CZ-SD 3.44Å; F875-M924 WeakPolarHBondContact CZ-SD 3.28Å; V916-M924 HydrophobicContact CB-CB 4.32Å; V916-M924 HydrophobicContact CB-CE 4.29Å; V916-M924 HydrophobicContact CB-CG 3.97Å; V916-M924 HydrophobicContact CB-SD 3.88Å; V916-M924 HydrophobicContact CG1-CE 4.12Å; V916-M924 HydrophobicContact CG1-CG 4.49Å; V916-M924 HydrophobicContact CG1-SD 3.73Å; V916-M924 HydrophobicContact CG2-CE 4.22Å; V916-M924 HydrophobicContact CG2-CG 4.4Å; V916-M924 HydrophobicContact CG2-SD 4.44Å; V916-M924 PolarHBondContact N-O 3.09Å; V916-M924 VanDerWaalsContact N-O 3.09Å; T918-M924 HydrophobicContact CG2-CB 4.27Å; M924-L990 HydrophobicContact CE-CD2 4.2Å; M924-V995 HydrophobicContact CE-CG1 4.07Å; M924-V995 HydrophobicContact CE-CG2 4.47Å
925	V	91.3	Very high	81.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.8	-178.8	-179.9	0	0	0	0	109.3	Y874 V913 Y923 M944	Y874-V925 WeakPolarHBondContact CB-O 3.37Å; Y874-V925 HydrophobicContact CD1-CB 4.17Å; Y874-V925 HydrophobicContact CD1-CG2 4.29Å; Y874-V925 HydrophobicContact CG-CB 4.46Å; Y874-V925 PolarHBondContact N-O 2.99Å; Y874-V925 PolarHBondContact O-N 2.51Å; Y874-V925 VanDerWaalsContact O-N 3.1Å; V913-V925 HydrophobicContact CB-CG1 3.51Å; V913-V925 HydrophobicContact CG1-CG1 4.16Å; V913-V925 HydrophobicContact CG2-CG1 3.8Å; Y923-V925 HydrophobicContact CD1-CG2 3.76Å; Y923-V925 HydrophobicContact CE1-CG2 3.41Å; Y923-V925 VanDerWaalsContact CE1-CG2 3.41Å; V925-M944 HydrophobicContact CB-CE 4.23Å; V925-M944 HydrophobicContact CB-SD 4.36Å; V925-M944 HydrophobicContact CG1-CE 4.19Å; V925-M944 HydrophobicContact CG1-SD 3.82Å
926	V	91.7	Very high	81.9	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.4	179.1	64.5	0	0	0	0	110.9	V871 T872 I873 Y914 V916 L929 L990	V871-V926 HydrophobicContact CB-CG2 4.19Å; V871-V926 HydrophobicContact CG2-CG2 4.34Å; T872-V926 WeakPolarHBondContact O-CA 3.32Å; I873-V926 HydrophobicContact CG1-CG2 4.04Å; Y914-V926 HydrophobicContact CD1-CG1 4.08Å; Y914-V926 PolarHBondContact N-O 3.44Å; Y914-V926 PolarHBondContact O-N 3.38Å; V916-V926 HydrophobicContact CG2-CB 4.38Å; V916-V926 HydrophobicContact CG2-CG1 3.72Å; V926-L929 HydrophobicContact CG1-CD1 3.45Å; V926-L929 VanDerWaalsContact CG1-CD1 3.45Å; V926-L929 HydrophobicContact CG1-CD2 4.19Å; V926-L929 HydrophobicContact CG1-CG 3.8Å; V926-L929 HydrophobicContact CG2-CD1 4.46Å; V926-L929 HydrophobicContact CG2-CD2 3.79Å; V926-L929 HydrophobicContact CG2-CG 3.86Å; V926-L990 HydrophobicContact CB-CD2 4.13Å; V926-L990 HydrophobicContact CG1-CD2 4.13Å; V926-L990 HydrophobicContact CG2-CD2 3.95Å
927	S	93	Very high	82.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.007	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.6	168.8	-172	0	0	0	0	110.8	V871 T872 D912 N933 H937	V871-S927 WeakPolarHBondContact CB-O 3.23Å; T872-S927 PolarHBondContact N-O 3.21Å; T872-S927 PolarHBondContact O-N 2.9Å; T872-S927 VanDerWaalsContact O-N 3.08Å; D912-S927 WeakPolarHBondContact O-CB 3.43Å; D912-S927 PolarHBondContact O-OG 3.05Å; S927-N933 PolarHBondContact OG-ND2 3.48Å; S927-H937 VanDerWaalsContact C-CB 3.48Å; S927-H937 WeakPolarHBondContact O-CB 3.37Å; S927-H937 WeakPolarHBondContact OG-CA 3.49Å
928	G	86.8	Confident	83.4	Confident	3 Å²	3	41.7 Å²	41.7	3%	0.031	25%	0.248	C	C	.	.	S	Bend	trans	91.6	8.7	-174	0	0	0	0	0	114.5	V931 N933	G928-V931 CarbonylContact C-O 3.42Å; G928-V931 VanDerWaalsContact C-O 3.23Å; G928-N933 WeakPolarHBondContact CA-OD1 3.29Å
929	L	85.6	Confident	84.8	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.047	25%	0.248	C	C	.	.			trans	-150.5	156.5	172.5	67.8	75.4	0	0	0	110.7	F868 V871 Y914 V926 V931 V976 A978 Y988 L990	F868-L929 HydrophobicContact CD1-CB 4.07Å; F868-L929 HydrophobicContact CD2-CB 4.42Å; F868-L929 HydrophobicContact CE1-CB 3.92Å; F868-L929 HydrophobicContact CE2-CB 4.29Å; F868-L929 HydrophobicContact CG-CB 4.34Å; F868-L929 HydrophobicContact CZ-CB 4.05Å; V871-L929 HydrophobicContact CG1-CB 4.49Å; V871-L929 HydrophobicContact CG1-CD2 4.2Å; Y914-L929 HydrophobicContact CD1-CD1 4.14Å; V926-L929 HydrophobicContact CG1-CD1 3.45Å; V926-L929 VanDerWaalsContact CG1-CD1 3.45Å; V926-L929 HydrophobicContact CG1-CD2 4.19Å; V926-L929 HydrophobicContact CG1-CG 3.8Å; V926-L929 HydrophobicContact CG2-CD1 4.46Å; V926-L929 HydrophobicContact CG2-CD2 3.79Å; V926-L929 HydrophobicContact CG2-CG 3.86Å; L929-V931 PolarHBondContact N-O 3.37Å; L929-V976 HydrophobicContact CD2-CG1 3.84Å; L929-A978 HydrophobicContact CD2-CB 4.25Å; L929-Y988 HydrophobicContact CD1-CE1 3.78Å; L929-L990 HydrophobicContact CD2-CD2 3.76Å; L929-L990 HydrophobicContact CD2-CG 4.11Å
930	P	74.6	Confident	86.2	Confident	27 Å²	27	36.8 Å²	36.8	18%	0.175	22%	0.215	C	C	.	.	S	Bend	cis	-72	-13.1	-5.1	33.4	-38.1	0	0	0	113.1	P850 S852	P850-P930 HydrophobicContact CB-CG 3.7Å; P850-P930 HydrophobicContact CG-CG 4.22Å; S852-P930 WeakPolarHBondContact OG-CG 3.42Å
931	V	82.9	Confident	87.4	Confident	100 Å²	100	34.1 Å²	34.1	61%	0.606	19%	0.187	S	C	*	.	S	Bend	trans	-96.9	129.8	173.1	-176.5	0	0	0	0	108.7	G928 L929	G928-V931 CarbonylContact C-O 3.42Å; G928-V931 VanDerWaalsContact C-O 3.23Å; L929-V931 PolarHBondContact N-O 3.37Å
932	Q	85.9	Confident	88.3	Confident	139 Å²	139	32.4 Å²	32.4	65%	0.65	18%	0.178	S	C	*	.			trans	-74.3	127.6	177.8	-63.8	177.6	6.2	0	0	110.1	F868	F868-Q932 HydrophobicContact CD1-CG 3.86Å; F868-Q932 HydrophobicContact CE1-CG 3.97Å
933	N	87.7	Confident	88.9	Confident	22 Å²	22	32.2 Å²	32.2	12%	0.118	18%	0.176	C	C	.	.			trans	-114.6	23.4	-178.7	66.9	7.3	0	0	0	113.3	D912 S927 G928 K935 L936 H937	D912-N933 WeakPolarHBondContact OD2-CB 3.37Å; D912-N933 PolarHBondContact OD2-ND2 3.03Å; S927-N933 PolarHBondContact OG-ND2 3.48Å; G928-N933 WeakPolarHBondContact CA-OD1 3.29Å; N933-K935 PolarHBondContact O-N 2.76Å; N933-L936 HydrophobicContact CB-CB 4.44Å; N933-L936 WeakPolarHBondContact O-CB 3.4Å; N933-L936 WeakPolarHBondContact O-CG 3.41Å; N933-L936 PolarHBondContact O-N 2.9Å; N933-H937 VanDerWaalsContact OD1-CB 3.32Å; N933-H937 WeakPolarHBondContact OD1-CB 3.4Å; N933-H937 PolarHBondContact OD1-N 3.42Å; N933-H937 VanDerWaalsContact OD1-N 3.1Å
934	G	87.1	Confident	89.2	Confident	56 Å²	56	32.1 Å²	32.1	58%	0.577	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	-130.7	179.7	0	0	0	0	0	111.6	H937	G934-H937 PolarHBondContact O-CD2 3.11Å; G934-H937 PolarHBondContact O-NE2 3.19Å
935	K	85.3	Confident	89.4	Confident	105 Å²	105	31.3 Å²	31.3	46%	0.457	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.7	177	-62.6	-172.8	-175.7	-177	0	113.7	N933 H937 V1019 E1022 F1023	N933-K935 PolarHBondContact O-N 2.76Å; K935-H937 PolarHBondContact O-N 2.67Å; K935-V1019 HydrophobicContact CB-CG1 4.17Å; K935-E1022 WeakPolarHBondContact CD-OE2 3.43Å; K935-E1022 WeakPolarHBondContact CE-OE2 3.19Å; K935-E1022 IonicContact NZ-OE1 3.63Å; K935-E1022 PolarHBondContact NZ-OE1 2.88Å; K935-E1022 IonicContact NZ-OE2 3.94Å; K935-E1022 PolarHBondContact NZ-OE2 2.83Å; K935-F1023 HydrophobicContact CB-CZ 4.31Å; K935-F1023 WeakPolarHBondContact O-CZ 3.25Å
936	L	88.6	Confident	89.4	Confident	69 Å²	69	32.8 Å²	32.8	36%	0.361	18%	0.179	S	C	.	.	H	α-helix	trans	-65.8	-24.8	-177.2	-61	174	0	0	0	111.8	N933 A938 R939 E940 F1023	N933-L936 HydrophobicContact CB-CB 4.44Å; N933-L936 WeakPolarHBondContact O-CB 3.4Å; N933-L936 WeakPolarHBondContact O-CG 3.41Å; N933-L936 PolarHBondContact O-N 2.9Å; L936-A938 PolarHBondContact O-N 3.06Å; L936-A938 VanDerWaalsContact O-N 3.1Å; L936-R939 WeakPolarHBondContact O-CB 3.22Å; L936-R939 PolarHBondContact O-N 3.39Å; L936-E940 WeakPolarHBondContact O-CG 3.36Å; L936-E940 PolarHBondContact O-N 2.71Å; L936-F1023 HydrophobicContact CD2-CE1 4.11Å; L936-F1023 HydrophobicContact CD2-CZ 4.35Å
937	H	92.6	Very high	89.4	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-50.1	-39.6	178.4	58.3	69.7	0	0	0	114.5	S870 T872 S927 N933 G934 K935 V941	S870-H937 PolarHBondContact O-CD2 3.48Å; S870-H937 PolarHBondContact OG-CE1 2.83Å; S870-H937 VanDerWaalsContact OG-CE1 3.26Å; S870-H937 PolarHBondContact OG-NE2 3.4Å; T872-H937 PolarHBondContact OG1-ND1 3.04Å; S927-H937 VanDerWaalsContact C-CB 3.48Å; S927-H937 WeakPolarHBondContact O-CB 3.37Å; S927-H937 WeakPolarHBondContact OG-CA 3.49Å; N933-H937 VanDerWaalsContact OD1-CB 3.32Å; N933-H937 WeakPolarHBondContact OD1-CB 3.4Å; N933-H937 PolarHBondContact OD1-N 3.42Å; N933-H937 VanDerWaalsContact OD1-N 3.1Å; G934-H937 PolarHBondContact O-CD2 3.11Å; G934-H937 PolarHBondContact O-NE2 3.19Å; K935-H937 PolarHBondContact O-N 2.67Å; H937-V941 WeakPolarHBondContact O-CG2 3.31Å; H937-V941 PolarHBondContact O-N 3.36Å
938	A	92.3	Very high	89.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-73.8	-37.6	-178.2	0	0	0	0	0	111.3	T872 L936 A942 V1019 L1020	T872-A938 VanDerWaalsContact OG1-CA 3.29Å; T872-A938 WeakPolarHBondContact OG1-CA 3.41Å; T872-A938 PolarHBondContact OG1-N 2.95Å; L936-A938 PolarHBondContact O-N 3.06Å; L936-A938 VanDerWaalsContact O-N 3.1Å; A938-A942 WeakPolarHBondContact O-CB 3.43Å; A938-A942 PolarHBondContact O-N 3.19Å; A938-V1019 HydrophobicContact CB-CB 3.96Å; A938-V1019 HydrophobicContact CB-CG1 3.48Å; A938-V1019 VanDerWaalsContact CB-CG1 3.48Å; A938-L1020 HydrophobicContact CB-CD2 4.09Å; A938-L1020 HydrophobicContact CB-CG 4.47Å
939	R	91.2	Very high	89.4	Confident	82 Å²	82	34.6 Å²	34.6	31%	0.309	19%	0.192	S	C	.	.	H	α-helix	trans	-62.7	-53.4	176.3	-177.8	-171.2	79.1	171.6	5	111	L936 V941 A942 S943 F1023 Y1025 F1026	L936-R939 WeakPolarHBondContact O-CB 3.22Å; L936-R939 PolarHBondContact O-N 3.39Å; R939-V941 VanDerWaalsContact C-N 3.31Å; R939-V941 PolarHBondContact O-N 3.16Å; R939-A942 PolarHBondContact O-N 3.02Å; R939-A942 VanDerWaalsContact O-N 3.16Å; R939-S943 PolarHBondContact O-N 3.29Å; R939-S943 PolarHBondContact O-OG 3.41Å; R939-F1023 HydrophobicContact CB-CE1 4.32Å; R939-F1023 HydrophobicContact CB-CE2 4.18Å; R939-F1023 HydrophobicContact CB-CZ 4.04Å; R939-Y1025 WeakPolarHBondContact CD-OH 3.48Å; R939-Y1025 WeakPolarHBondContact CG-OH 3.47Å; R939-F1026 HydrophobicContact CG-CE2 4.14Å; R939-F1026 HydrophobicContact CG-CZ 4.02Å
940	E	92.8	Very high	89.6	Confident	23 Å²	23	40.4 Å²	40.4	11%	0.107	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-46.2	-177.8	-63.6	-59.3	134.1	0	0	111	D912 V913 L936 M944	D912-E940 HydrophobicContact CB-CG 4.14Å; D912-E940 PolarHBondContact N-OE2 3.02Å; V913-E940 HydrophobicContact CG1-CB 4.28Å; L936-E940 WeakPolarHBondContact O-CG 3.36Å; L936-E940 PolarHBondContact O-N 2.71Å; E940-M944 WeakPolarHBondContact O-CB 3.35Å; E940-M944 PolarHBondContact O-N 2.94Å
941	V	94.3	Very high	90.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.9	-39	178.3	173.4	0	0	0	0	112.1	T872 Y874 V913 H937 R939 M944 S945 I971	T872-V941 HydrophobicContact CG2-CB 3.78Å; T872-V941 HydrophobicContact CG2-CG1 3.81Å; T872-V941 HydrophobicContact CG2-CG2 4.05Å; Y874-V941 HydrophobicContact CD2-CG1 4.35Å; V913-V941 HydrophobicContact CG1-CG2 4.37Å; H937-V941 WeakPolarHBondContact O-CG2 3.31Å; H937-V941 PolarHBondContact O-N 3.36Å; R939-V941 VanDerWaalsContact C-N 3.31Å; R939-V941 PolarHBondContact O-N 3.16Å; V941-M944 HydrophobicContact CG1-CE 4.38Å; V941-S945 VanDerWaalsContact O-CB 3.32Å; V941-S945 WeakPolarHBondContact O-CB 3.43Å; V941-S945 PolarHBondContact O-N 3.31Å; V941-S945 PolarHBondContact O-OG 3.29Å; V941-I971 HydrophobicContact CG1-CD1 4.25Å; V941-I971 HydrophobicContact CG1-CG1 4.43Å; V941-I971 HydrophobicContact CG1-CG2 3.92Å
942	A	92.9	Very high	90.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-66.4	-46.8	178.8	0	0	0	0	0	112.2	A938 R939 S945 L946 L1020 F1026 L1047	A938-A942 WeakPolarHBondContact O-CB 3.43Å; A938-A942 PolarHBondContact O-N 3.19Å; R939-A942 PolarHBondContact O-N 3.02Å; R939-A942 VanDerWaalsContact O-N 3.16Å; A942-S945 WeakPolarHBondContact O-CB 3.18Å; A942-S945 PolarHBondContact O-N 2.89Å; A942-L946 PolarHBondContact O-N 3.06Å; A942-L946 VanDerWaalsContact O-N 3.16Å; A942-L1020 HydrophobicContact CB-CD1 4.14Å; A942-L1020 HydrophobicContact CB-CD2 3.77Å; A942-F1026 HydrophobicContact CB-CD1 4.33Å; A942-F1026 HydrophobicContact CB-CE1 3.81Å; A942-F1026 HydrophobicContact CB-CZ 4.02Å; A942-L1047 HydrophobicContact CB-CD2 3.92Å
943	S	92.2	Very high	90.5	Very high	20 Å²	20	38.7 Å²	38.7	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-66.1	-42.5	177.3	-61.8	0	0	0	0	111.7	R939 S945 L946 A947 E1050	R939-S943 PolarHBondContact O-N 3.29Å; R939-S943 PolarHBondContact O-OG 3.41Å; S943-S945 VanDerWaalsContact C-N 3.3Å; S943-S945 PolarHBondContact O-N 3.11Å; S943-L946 PolarHBondContact O-N 3.43Å; S943-A947 PolarHBondContact O-N 2.98Å; S943-A947 VanDerWaalsContact O-N 3.08Å; S943-E1050 WeakPolarHBondContact CB-OE1 3.47Å; S943-E1050 PolarHBondContact OG-OE1 2.91Å
944	M	94.1	Very high	90.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-43.6	172	179	-155.4	72.1	0	0	111.4	Y874 I908 F911 V913 V925 E940 V941 L946 A947 L948	Y874-M944 HydrophobicContact CD1-CE 4.1Å; Y874-M944 HydrophobicContact CD2-CE 3.51Å; Y874-M944 HydrophobicContact CE1-CE 4.46Å; Y874-M944 HydrophobicContact CE2-CE 3.87Å; Y874-M944 HydrophobicContact CG-CE 3.61Å; I908-M944 HydrophobicContact CG2-CG 4.14Å; I908-M944 HydrophobicContact CG2-SD 3.68Å; F911-M944 HydrophobicContact CD1-CB 4.43Å; F911-M944 HydrophobicContact CD2-CB 3.94Å; F911-M944 HydrophobicContact CD2-CG 4.1Å; F911-M944 HydrophobicContact CE2-CB 4.24Å; F911-M944 HydrophobicContact CG-CB 4.04Å; V913-M944 HydrophobicContact CB-SD 4.44Å; V913-M944 HydrophobicContact CG1-SD 4.08Å; V913-M944 HydrophobicContact CG2-SD 4.04Å; V925-M944 HydrophobicContact CB-CE 4.23Å; V925-M944 HydrophobicContact CB-SD 4.36Å; V925-M944 HydrophobicContact CG1-CE 4.19Å; V925-M944 HydrophobicContact CG1-SD 3.82Å; E940-M944 WeakPolarHBondContact O-CB 3.35Å; E940-M944 PolarHBondContact O-N 2.94Å; V941-M944 HydrophobicContact CG1-CE 4.38Å; M944-L946 VanDerWaalsContact C-N 3.33Å; M944-L946 PolarHBondContact O-N 3.4Å; M944-A947 PolarHBondContact O-N 2.93Å; M944-L948 HydrophobicContact CE-CD1 3.96Å; M944-L948 HydrophobicContact CG-CD1 3.89Å; M944-L948 HydrophobicContact CG-CG 4.33Å; M944-L948 WeakPolarHBondContact O-CB 3.26Å; M944-L948 VanDerWaalsContact O-CG 3.31Å; M944-L948 WeakPolarHBondContact O-CG 3.43Å; M944-L948 PolarHBondContact O-N 3.26Å; M944-L948 HydrophobicContact SD-CD1 4.2Å
945	S	93.6	Very high	90.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-37.9	-179	-59.9	0	0	0	0	112.7	Y874 V941 A942 S943 L949 I971	Y874-S945 WeakPolarHBondContact CD2-OG 3.47Å; Y874-S945 VanDerWaalsContact CE2-OG 3.24Å; Y874-S945 WeakPolarHBondContact CE2-OG 3.18Å; V941-S945 VanDerWaalsContact O-CB 3.32Å; V941-S945 WeakPolarHBondContact O-CB 3.43Å; V941-S945 PolarHBondContact O-N 3.31Å; V941-S945 PolarHBondContact O-OG 3.29Å; A942-S945 WeakPolarHBondContact O-CB 3.18Å; A942-S945 PolarHBondContact O-N 2.89Å; S943-S945 VanDerWaalsContact C-N 3.3Å; S943-S945 PolarHBondContact O-N 3.11Å; S945-L949 WeakPolarHBondContact O-CB 3.11Å; S945-L949 PolarHBondContact O-N 3.39Å; S945-I971 VanDerWaalsContact OG-CD1 3.28Å; S945-I971 WeakPolarHBondContact OG-CD1 3.17Å
946	L	92.3	Very high	90.2	Very high	31 Å²	31	43.8 Å²	43.8	16%	0.162	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-45.4	175.8	-71.6	168.9	0	0	0	111.3	A942 S943 M944 L948 L949 E950 I1010 L1047 E1050	A942-L946 PolarHBondContact O-N 3.06Å; A942-L946 VanDerWaalsContact O-N 3.16Å; S943-L946 PolarHBondContact O-N 3.43Å; M944-L946 VanDerWaalsContact C-N 3.33Å; M944-L946 PolarHBondContact O-N 3.4Å; L946-L948 PolarHBondContact O-N 3.08Å; L946-L949 PolarHBondContact O-N 3.2Å; L946-E950 PolarHBondContact O-N 3.38Å; L946-I1010 HydrophobicContact CD2-CD1 3.68Å; L946-I1010 HydrophobicContact CG-CD1 4.06Å; L946-L1047 HydrophobicContact CD1-CD2 4.3Å; L946-L1047 HydrophobicContact CD2-CD2 4.43Å; L946-L1047 HydrophobicContact CD2-CG 4.36Å; L946-L1047 HydrophobicContact CG-CD2 4.15Å; L946-E1050 HydrophobicContact CD1-CG 3.82Å
947	A	91.1	Very high	90.1	Very high	28 Å²	28	40.6 Å²	40.6	23%	0.231	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-43.3	177.2	0	0	0	0	0	112.3	I907 F911 S943 M944 E950 Q951	I907-A947 HydrophobicContact CG2-CB 4.06Å; F911-A947 HydrophobicContact CE2-CB 4.47Å; F911-A947 HydrophobicContact CZ-CB 4.37Å; S943-A947 PolarHBondContact O-N 2.98Å; S943-A947 VanDerWaalsContact O-N 3.08Å; M944-A947 PolarHBondContact O-N 2.93Å; A947-E950 PolarHBondContact O-N 2.9Å; A947-Q951 WeakPolarHBondContact O-CG 3.01Å; A947-Q951 PolarHBondContact O-N 3.46Å; A947-Q951 VanDerWaalsContact O-N 3.12Å
948	L	91.2	Very high	89.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-43.9	175.4	-73	171.3	0	0	0	111.7	Y874 F904 I907 M944 L946 E950 Q951 V952	Y874-L948 HydrophobicContact CE1-CD1 4.46Å; Y874-L948 HydrophobicContact CE2-CD1 4.3Å; F904-L948 HydrophobicContact CB-CD2 3.99Å; F904-L948 HydrophobicContact CD1-CD2 3.49Å; F904-L948 VanDerWaalsContact CD1-CD2 3.49Å; F904-L948 HydrophobicContact CD2-CD2 4.35Å; F904-L948 HydrophobicContact CE1-CD2 3.98Å; F904-L948 HydrophobicContact CG-CD2 3.7Å; I907-L948 HydrophobicContact CB-CD2 4.05Å; I907-L948 HydrophobicContact CD1-CD2 3.74Å; I907-L948 HydrophobicContact CG2-CD2 4.01Å; I907-L948 HydrophobicContact CG2-CG 4.18Å; M944-L948 HydrophobicContact CE-CD1 3.96Å; M944-L948 HydrophobicContact CG-CD1 3.89Å; M944-L948 HydrophobicContact CG-CG 4.33Å; M944-L948 WeakPolarHBondContact O-CB 3.26Å; M944-L948 VanDerWaalsContact O-CG 3.31Å; M944-L948 WeakPolarHBondContact O-CG 3.43Å; M944-L948 PolarHBondContact O-N 3.26Å; M944-L948 HydrophobicContact SD-CD1 4.2Å; L946-L948 PolarHBondContact O-N 3.08Å; L948-E950 VanDerWaalsContact C-N 3.31Å; L948-E950 PolarHBondContact O-N 3.34Å; L948-Q951 PolarHBondContact O-N 3.16Å; L948-V952 VanDerWaalsContact O-CG2 3.31Å; L948-V952 WeakPolarHBondContact O-CG2 3.41Å; L948-V952 PolarHBondContact O-N 3.06Å
949	L	90.1	Very high	89.2	Confident	14 Å²	14	52.5 Å²	52.5	7%	0.073	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-36.8	179.6	-161.7	98	0	0	0	112.2	S945 L946 R953 I969 I1010	S945-L949 WeakPolarHBondContact O-CB 3.11Å; S945-L949 PolarHBondContact O-N 3.39Å; L946-L949 PolarHBondContact O-N 3.2Å; L949-R953 WeakPolarHBondContact O-CG 3.29Å; L949-R953 PolarHBondContact O-N 2.96Å; L949-I969 HydrophobicContact CB-CD1 4.45Å; L949-I969 HydrophobicContact CD1-CD1 3.8Å; L949-I1010 HydrophobicContact CD1-CG1 4.26Å
950	E	88.6	Confident	88.7	Confident	130 Å²	130	51.7 Å²	51.7	61%	0.607	24%	0.237	S	C	*	.	H	α-helix	trans	-67.6	-44.1	176.6	-173	171.1	-166.3	0	0	111.9	L946 A947 L948 V952 R953	L946-E950 PolarHBondContact O-N 3.38Å; A947-E950 PolarHBondContact O-N 2.9Å; L948-E950 VanDerWaalsContact C-N 3.31Å; L948-E950 PolarHBondContact O-N 3.34Å; E950-V952 PolarHBondContact O-N 2.97Å; E950-R953 WeakPolarHBondContact O-CB 3.47Å; E950-R953 PolarHBondContact O-N 3.35Å; E950-R953 VanDerWaalsContact O-N 3.16Å
951	Q	87.9	Confident	88.1	Confident	88 Å²	88	54.5 Å²	54.5	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-68.3	-33.8	179.1	-67.7	-66.3	-13.6	0	0	112.7	I907 A947 L948 R953 T954 F955	I907-Q951 HydrophobicContact CD1-CB 3.82Å; I907-Q951 HydrophobicContact CD1-CG 3.63Å; A947-Q951 WeakPolarHBondContact O-CG 3.01Å; A947-Q951 PolarHBondContact O-N 3.46Å; A947-Q951 VanDerWaalsContact O-N 3.12Å; L948-Q951 PolarHBondContact O-N 3.16Å; Q951-R953 PolarHBondContact O-N 3.15Å; Q951-T954 PolarHBondContact O-N 2.94Å; Q951-T954 PolarHBondContact O-OG1 3.03Å; Q951-F955 PolarHBondContact O-N 3.03Å; Q951-F955 VanDerWaalsContact O-N 3.08Å
952	V	88.3	Confident	87.4	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-28.2	173.7	170.4	0	0	0	0	112.1	F904 L948 E950 T954 F955 L965 L967 L1008	F904-V952 HydrophobicContact CE1-CG2 3.65Å; F904-V952 HydrophobicContact CZ-CG2 3.79Å; L948-V952 VanDerWaalsContact O-CG2 3.31Å; L948-V952 WeakPolarHBondContact O-CG2 3.41Å; L948-V952 PolarHBondContact O-N 3.06Å; E950-V952 PolarHBondContact O-N 2.97Å; V952-T954 VanDerWaalsContact C-N 3.28Å; V952-T954 PolarHBondContact O-N 3.29Å; V952-F955 PolarHBondContact O-N 2.89Å; V952-L965 HydrophobicContact CG1-CB 4.31Å; V952-L965 HydrophobicContact CG1-CD2 4.26Å; V952-L965 HydrophobicContact CG1-CG 4.38Å; V952-L965 WeakPolarHBondContact CG1-O 3.3Å; V952-L967 HydrophobicContact CG1-CB 4.16Å; V952-L967 HydrophobicContact CG2-CB 4.43Å; V952-L967 HydrophobicContact CG2-CD2 4.2Å; V952-L1008 HydrophobicContact CG1-CD2 4.46Å
953	R	85.5	Confident	86.9	Confident	142 Å²	142	65.4 Å²	65.4	54%	0.536	32%	0.315	S	S	.	.	H	α-helix	trans	-67.8	-29.4	177.9	-69.5	173.1	178	175.8	1.2	112.7	L949 E950 Q951	L949-R953 WeakPolarHBondContact O-CG 3.29Å; L949-R953 PolarHBondContact O-N 2.96Å; E950-R953 WeakPolarHBondContact O-CB 3.47Å; E950-R953 PolarHBondContact O-N 3.35Å; E950-R953 VanDerWaalsContact O-N 3.16Å; Q951-R953 PolarHBondContact O-N 3.15Å
954	T	84.8	Confident	86.4	Confident	97 Å²	97	69.7 Å²	69.7	60%	0.595	33%	0.333	S	S	*	.	H	α-helix	trans	-96	-16.5	-179.2	58.2	0	0	0	0	112.9	Q951 V952 K956	Q951-T954 PolarHBondContact O-N 2.94Å; Q951-T954 PolarHBondContact O-OG1 3.03Å; V952-T954 VanDerWaalsContact C-N 3.28Å; V952-T954 PolarHBondContact O-N 3.29Å; T954-K956 PolarHBondContact O-N 2.92Å
955	F	86.1	Confident	86.1	Confident	35 Å²	35	70 Å²	70	15%	0.154	33%	0.334	C	S	.	.			trans	-64.1	128.5	179.2	-172.7	-91.5	0	0	0	112.5	L896 D899 L900 Q951 V952 I957 L965	L896-F955 HydrophobicContact CD1-CE1 3.82Å; L896-F955 HydrophobicContact CD1-CZ 4.24Å; D899-F955 HydrophobicContact CB-CE2 4.23Å; D899-F955 HydrophobicContact CB-CZ 3.96Å; L900-F955 HydrophobicContact CB-CZ 4.22Å; L900-F955 HydrophobicContact CD1-CE1 4.47Å; L900-F955 HydrophobicContact CD1-CZ 4.45Å; Q951-F955 PolarHBondContact O-N 3.03Å; Q951-F955 VanDerWaalsContact O-N 3.08Å; V952-F955 PolarHBondContact O-N 2.89Å; F955-I957 HydrophobicContact CE1-CG1 4.47Å; F955-L965 HydrophobicContact CD1-CD2 4.12Å; F955-L965 HydrophobicContact CE1-CD2 4.41Å
956	K	84.5	Confident	85.9	Confident	157 Å²	157	75.8 Å²	75.8	68%	0.683	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.1	178.5	-68.7	-173.1	179.1	-178.2	0	111.6	T954 R958	T954-K956 PolarHBondContact O-N 2.92Å; K956-R958 PolarHBondContact O-N 3.48Å
957	I	86.3	Confident	85.8	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.3	177.5	-57.6	175.7	0	0	0	109.3	L884 L896 F955 H959 R960 P961 D963 L965	L884-I957 HydrophobicContact CD1-CD1 4.04Å; L896-I957 HydrophobicContact CD1-CB 4.46Å; L896-I957 HydrophobicContact CD1-CG1 3.97Å; L896-I957 HydrophobicContact CD1-CG2 4.13Å; F955-I957 HydrophobicContact CE1-CG1 4.47Å; I957-H959 VanDerWaalsContact C-N 3.34Å; I957-H959 WeakPolarHBondContact CG2-CE1 3.27Å; I957-H959 VanDerWaalsContact CG2-ND1 3.34Å; I957-H959 WeakPolarHBondContact CG2-ND1 3.19Å; I957-H959 PolarHBondContact O-N 3.37Å; I957-R960 HydrophobicContact CB-CB 4.41Å; I957-R960 HydrophobicContact CG2-CB 4.04Å; I957-R960 CarbonylContact O-C 3.5Å; I957-R960 PolarHBondContact O-N 3.41Å; I957-P961 WeakPolarHBondContact O-CA 3.42Å; I957-P961 VanDerWaalsContact O-N 3.12Å; I957-D963 HydrophobicContact CD1-CB 4.44Å; I957-L965 HydrophobicContact CD1-CD1 4.49Å
958	R	82.7	Confident	85.8	Confident	197 Å²	197	75.8 Å²	75.8	74%	0.743	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-40.8	-172.7	-67.1	177.7	88.9	171.5	7.2	113.9	D899 K956	D899-R958 WeakPolarHBondContact OD2-CD 3.16Å; K956-R958 PolarHBondContact O-N 3.48Å
959	H	82.9	Confident	86	Confident	55 Å²	55	75.8 Å²	75.8	26%	0.255	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.2	179.5	62.5	-68.9	0	0	0	113.9	S888 Q892 I957	S888-H959 PolarHBondContact OG-NE2 3.23Å; Q892-H959 HydrophobicContact CG-CB 4.36Å; I957-H959 VanDerWaalsContact C-N 3.34Å; I957-H959 WeakPolarHBondContact CG2-CE1 3.27Å; I957-H959 VanDerWaalsContact CG2-ND1 3.34Å; I957-H959 WeakPolarHBondContact CG2-ND1 3.19Å; I957-H959 PolarHBondContact O-N 3.37Å
960	R	81.4	Confident	86.2	Confident	65 Å²	65	75.1 Å²	75.1	25%	0.245	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	70.7	178.8	-66	-168.1	179.4	-163.4	-1.8	110.9	E887 I957 N962 D963	E887-R960 PolarHBondContact O-NH2 3.29Å; E887-R960 VanDerWaalsContact O-NH2 3.15Å; E887-R960 IonicContact OE2-CZ 3.72Å; E887-R960 IonicContact OE2-NH1 3.23Å; E887-R960 PolarHBondContact OE2-NH1 2.84Å; E887-R960 IonicContact OE2-NH2 2.63Å; E887-R960 PolarHBondContact OE2-NH2 3.46Å; I957-R960 HydrophobicContact CB-CB 4.41Å; I957-R960 HydrophobicContact CG2-CB 4.04Å; I957-R960 CarbonylContact O-C 3.5Å; I957-R960 PolarHBondContact O-N 3.41Å; R960-N962 PolarHBondContact O-N 2.67Å; R960-N962 VanDerWaalsContact O-N 3.07Å; R960-D963 HydrophobicContact CB-CB 4.22Å; R960-D963 VanDerWaalsContact CD-OD2 3.25Å; R960-D963 WeakPolarHBondContact CD-OD2 3.21Å; R960-D963 IonicContact NH1-OD2 2.6Å; R960-D963 PolarHBondContact O-N 2.96Å; R960-D963 VanDerWaalsContact O-N 3.13Å
961	P	79.1	Confident	86.6	Confident	81 Å²	81	69 Å²	69	53%	0.526	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-13.6	-170.7	26.3	-35.8	0	0	0	114.8	I957	I957-P961 WeakPolarHBondContact O-CA 3.42Å; I957-P961 VanDerWaalsContact O-N 3.12Å
962	N	80	Confident	86.9	Confident	156 Å²	156	65.9 Å²	65.9	83%	0.834	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	-11.9	179.4	-63.4	-20.5	0	0	0	113.2	R960	R960-N962 PolarHBondContact O-N 2.67Å; R960-N962 VanDerWaalsContact O-N 3.07Å
963	D	81.7	Confident	87.2	Confident	74 Å²	74	66.1 Å²	66.1	40%	0.396	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.2	178.2	-70.8	-10	0	0	0	109.4	I957 R960	I957-D963 HydrophobicContact CD1-CB 4.44Å; R960-D963 HydrophobicContact CB-CB 4.22Å; R960-D963 VanDerWaalsContact CD-OD2 3.25Å; R960-D963 WeakPolarHBondContact CD-OD2 3.21Å; R960-D963 IonicContact NH1-OD2 2.6Å; R960-D963 PolarHBondContact O-N 2.96Å; R960-D963 VanDerWaalsContact O-N 3.13Å
964	Q	82.8	Confident	87.6	Confident	111 Å²	111	59.9 Å²	59.9	52%	0.519	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.9	176.5	-171.3	177.7	32	0	0	110.8
965	L	86.6	Confident	87.9	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.026	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-68.4	131.5	172.9	-168.4	72.8	0	0	0	109.9	I878 L900 V952 F955 I957	I878-L965 HydrophobicContact CD1-CD1 4.48Å; I878-L965 HydrophobicContact CG2-CD1 3.52Å; I878-L965 HydrophobicContact CG2-CG 4.46Å; L900-L965 HydrophobicContact CD1-CD2 3.53Å; L900-L965 HydrophobicContact CD2-CD2 3.86Å; L900-L965 HydrophobicContact CG-CD2 4.32Å; V952-L965 HydrophobicContact CG1-CB 4.31Å; V952-L965 HydrophobicContact CG1-CD2 4.26Å; V952-L965 HydrophobicContact CG1-CG 4.38Å; V952-L965 WeakPolarHBondContact CG1-O 3.3Å; F955-L965 HydrophobicContact CD1-CD2 4.12Å; F955-L965 HydrophobicContact CE1-CD2 4.41Å; I957-L965 HydrophobicContact CD1-CD1 4.49Å
966	R	89.5	Confident	88.2	Confident	122 Å²	122	57.8 Å²	57.8	46%	0.46	27%	0.274	S	S	.	.			trans	-119.2	113.8	179.3	-69.6	-177.9	-68.3	169.7	-1.7	109.8	V879 A1007 L1008	V879-R966 HydrophobicContact CB-CB 4.14Å; V879-R966 PolarHBondContact N-O 3.45Å; R966-A1007 HydrophobicContact CB-CB 4.27Å; R966-L1008 HydrophobicContact CB-CG 4.46Å; R966-L1008 HydrophobicContact CG-CD1 4.32Å; R966-L1008 HydrophobicContact CG-CG 4.27Å
967	L	90.4	Very high	88.4	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139.8	176.7	-165	72.4	0	0	0	110.2	D877 I878 F904 V952 I969 L1008	D877-L967 WeakPolarHBondContact O-CD1 3.3Å; I878-L967 HydrophobicContact CG1-CD1 4.41Å; F904-L967 HydrophobicContact CZ-CD1 4.4Å; F904-L967 HydrophobicContact CZ-CD2 4.04Å; V952-L967 HydrophobicContact CG1-CB 4.16Å; V952-L967 HydrophobicContact CG2-CB 4.43Å; V952-L967 HydrophobicContact CG2-CD2 4.2Å; L967-I969 HydrophobicContact CD2-CD1 3.81Å; L967-I969 HydrophobicContact CD2-CG1 3.81Å; L967-I969 HydrophobicContact CG-CG1 4.08Å; L967-L1008 VanDerWaalsContact O-CA 3.32Å; L967-L1008 WeakPolarHBondContact O-CA 3.48Å; L967-L1008 PolarHBondContact O-N 2.85Å
968	R	92	Very high	88.5	Confident	58 Å²	58	52.6 Å²	52.6	22%	0.219	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.7	165.3	57.3	179.3	173.8	156	26.5	109	S876 D877 V879 E1002 S1003	S876-R968 CarbonylContact C-O 3.45Å; S876-R968 WeakPolarHBondContact CA-O 3.44Å; S876-R968 WeakPolarHBondContact CB-O 3.39Å; D877-R968 HydrophobicContact CB-CG 3.95Å; D877-R968 PolarHBondContact N-O 2.91Å; D877-R968 WeakPolarHBondContact O-CG 3.48Å; D877-R968 PolarHBondContact O-N 3.12Å; D877-R968 IonicContact OD2-CZ 2.64Å; D877-R968 IonicContact OD2-NE 3.43Å; D877-R968 PolarHBondContact OD2-NE 2.88Å; D877-R968 IonicContact OD2-NH2 2.71Å; D877-R968 PolarHBondContact OD2-NH2 2.8Å; V879-R968 HydrophobicContact CG2-CB 3.95Å; V879-R968 HydrophobicContact CG2-CG 3.82Å; R968-E1002 WeakPolarHBondContact CD-OE1 3.26Å; R968-E1002 HydrophobicContact CG-CG 4.5Å; R968-E1002 IonicContact CZ-OE1 3.85Å; R968-E1002 IonicContact NE-OE1 2.91Å; R968-E1002 PolarHBondContact NE-OE1 3.02Å; R968-E1002 IonicContact NH1-OE1 3.84Å; R968-E1002 IonicContact NH2-OE1 3.16Å; R968-E1002 PolarHBondContact NH2-OE1 3.4Å; R968-S1003 PolarHBondContact NH1-O 2.91Å
969	I	94.6	Very high	88.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.4	-173.6	-61.8	171.6	0	0	0	110.1	Y874 F875 L949 L967 I971 K1009 I1010 H1011	Y874-I969 HydrophobicContact CD2-CG2 3.7Å; Y874-I969 HydrophobicContact CE2-CB 4.26Å; Y874-I969 HydrophobicContact CE2-CD1 3.93Å; Y874-I969 HydrophobicContact CE2-CG1 4.01Å; Y874-I969 HydrophobicContact CE2-CG2 3.27Å; Y874-I969 WeakPolarHBondContact OH-CD1 3.2Å; Y874-I969 WeakPolarHBondContact OH-CG1 3.35Å; F875-I969 CarbonylContact O-C 3.53Å; F875-I969 WeakPolarHBondContact O-CA 3.45Å; L949-I969 HydrophobicContact CB-CD1 4.45Å; L949-I969 HydrophobicContact CD1-CD1 3.8Å; L967-I969 HydrophobicContact CD2-CD1 3.81Å; L967-I969 HydrophobicContact CD2-CG1 3.81Å; L967-I969 HydrophobicContact CG-CG1 4.08Å; I969-I971 HydrophobicContact CG2-CD1 4.41Å; I969-I971 HydrophobicContact CG2-CG1 4.03Å; I969-K1009 PolarHBondContact N-O 2.86Å; I969-I1010 HydrophobicContact CB-CB 4.47Å; I969-I1010 HydrophobicContact CB-CG1 4.17Å; I969-I1010 HydrophobicContact CB-CG2 4.45Å; I969-I1010 HydrophobicContact CD1-CG1 3.92Å; I969-I1010 HydrophobicContact CG2-CG1 4.35Å; I969-I1010 HydrophobicContact CG2-CG2 3.96Å; I969-H1011 WeakPolarHBondContact O-CB 3.26Å; I969-H1011 PolarHBondContact O-N 3.22Å
970	G	94.8	Very high	88.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.8	171.3	0	0	0	0	0	112.4	F875 H1011	F875-G970 PolarHBondContact N-O 2.83Å; F875-G970 PolarHBondContact O-N 3.45Å; G970-H1011 CarbonylContact C-O 3.57Å; G970-H1011 WeakPolarHBondContact CA-O 3.49Å
971	I	96.1	Very high	88.6	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.3	-178.2	-50.2	175.8	0	0	0	110.6	T872 I873 Y874 V941 S945 I969 I1010 H1011 V1012 S1013 T1016	T872-I971 HydrophobicContact CG2-CG2 3.4Å; I873-I971 WeakPolarHBondContact O-CA 3.19Å; Y874-I971 HydrophobicContact CD2-CG1 4.41Å; V941-I971 HydrophobicContact CG1-CD1 4.25Å; V941-I971 HydrophobicContact CG1-CG1 4.43Å; V941-I971 HydrophobicContact CG1-CG2 3.92Å; S945-I971 VanDerWaalsContact OG-CD1 3.28Å; S945-I971 WeakPolarHBondContact OG-CD1 3.17Å; I969-I971 HydrophobicContact CG2-CD1 4.41Å; I969-I971 HydrophobicContact CG2-CG1 4.03Å; I971-I1010 HydrophobicContact CD1-CG2 3.42Å; I971-I1010 VanDerWaalsContact CD1-CG2 3.42Å; I971-I1010 HydrophobicContact CG1-CG2 4.03Å; I971-H1011 PolarHBondContact N-O 2.76Å; I971-V1012 HydrophobicContact CB-CG2 4.4Å; I971-V1012 HydrophobicContact CD1-CG2 4.41Å; I971-S1013 PolarHBondContact O-N 3.2Å; I971-T1016 HydrophobicContact CG2-CG2 3.92Å
972	H	95.6	Very high	88.2	Confident	21 Å²	21	41.1 Å²	41.1	10%	0.097	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145	175	-179.9	58.4	0	0	0	111.8	I873 T997 A998 M1001 S1013 T1016	I873-H972 PolarHBondContact N-O 3.47Å; I873-H972 PolarHBondContact O-N 3.49Å; I873-H972 VanDerWaalsContact O-N 3.16Å; H972-T997 HydrophobicContact CB-CG2 4.47Å; H972-T997 VanDerWaalsContact CD2-CB 3.5Å; H972-T997 WeakPolarHBondContact CD2-CB 3.23Å; H972-A998 HydrophobicContact CB-CB 3.87Å; H972-M1001 HydrophobicContact CB-CG 4.38Å; H972-S1013 VanDerWaalsContact ND1-CB 3.29Å; H972-S1013 WeakPolarHBondContact ND1-CB 3.4Å; H972-S1013 PolarHBondContact ND1-OG 2.82Å; H972-T1016 VanDerWaalsContact CA-OG1 3.26Å; H972-T1016 WeakPolarHBondContact CA-OG1 3.05Å
973	T	95.1	Very high	87.6	Confident	7 Å²	7	42.7 Å²	42.7	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.9	-179.6	-56.6	0	0	0	0	109.9	V871 T872 A1015 T1016 V1019	V871-T973 VanDerWaalsContact O-CA 3.26Å; V871-T973 WeakPolarHBondContact O-CA 3.43Å; T872-T973 PolarHBondContact OG1-OG1 3.46Å; T973-A1015 WeakPolarHBondContact O-CB 3.39Å; T973-T1016 PolarHBondContact N-OG1 3.07Å; T973-T1016 PolarHBondContact OG1-OG1 2.95Å; T973-V1019 HydrophobicContact CG2-CG2 4.25Å
974	G	92.6	Very high	86.8	Confident	11 Å²	11	48.8 Å²	48.8	11%	0.113	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-175.8	177.2	0	0	0	0	0	113.2	V871 T994	V871-G974 VanDerWaalsContact CG2-O 3.32Å; V871-G974 WeakPolarHBondContact CG2-O 3.43Å; V871-G974 PolarHBondContact N-O 3.07Å; V871-G974 PolarHBondContact O-N 2.91Å; G974-T994 VanDerWaalsContact C-OG1 3.3Å; G974-T994 WeakPolarHBondContact CA-OG1 3.4Å
975	P	91.8	Very high	86.1	Confident	81 Å²	81	50 Å²	50	53%	0.526	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	143.2	-175.8	29.5	-34.8	0	0	0	113.3	F868 D869 T994	F868-P975 CarbonylContact O-C 3.57Å; F868-P975 VanDerWaalsContact O-CA 3.24Å; F868-P975 WeakPolarHBondContact O-CA 3.33Å; D869-P975 WeakPolarHBondContact O-CA 3.49Å; D869-P975 WeakPolarHBondContact O-CB 3.28Å; P975-T994 PolarHBondContact O-OG1 3.37Å
976	V	92.2	Very high	85.4	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.4	177.8	79.9	0	0	0	0	111.4	F868 V871 L929 L990 F991 V995	F868-V976 HydrophobicContact CB-CG1 4.17Å; F868-V976 HydrophobicContact CD2-CG1 4.46Å; F868-V976 PolarHBondContact N-O 3.28Å; F868-V976 PolarHBondContact O-N 3.27Å; V871-V976 HydrophobicContact CB-CG1 4.36Å; V871-V976 HydrophobicContact CG1-CG1 4.04Å; V871-V976 HydrophobicContact CG2-CB 3.85Å; V871-V976 HydrophobicContact CG2-CG1 3.42Å; V871-V976 VanDerWaalsContact CG2-CG1 3.42Å; L929-V976 HydrophobicContact CD2-CG1 3.84Å; V976-L990 HydrophobicContact CG2-CB 3.91Å; V976-L990 HydrophobicContact CG2-CD2 4.25Å; V976-L990 HydrophobicContact CG2-CG 4.38Å; V976-F991 VanDerWaalsContact CG2-O 3.24Å; V976-F991 WeakPolarHBondContact CG2-O 3.34Å; V976-V995 HydrophobicContact CG2-CG2 4.25Å
977	C	89.5	Confident	84.9	Confident	49 Å²	49	51.2 Å²	51.2	33%	0.331	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.3	165.3	-175.7	0	0	0	0	109.2	E866 F991	E866-C977 CarbonylContact O-C 3.49Å; E866-C977 VanDerWaalsContact O-CA 3.32Å; E866-C977 WeakPolarHBondContact O-CA 3.12Å; E866-C977 PolarHBondContact O-SG 2.95Å; E866-C977 VanDerWaalsContact O-SG 3.38Å; C977-F991 PolarHBondContact N-O 3.22Å; C977-F991 PolarHBondContact O-N 3.36Å
978	A	88.1	Confident	84.6	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.3	-180	0	0	0	0	0	111.3	A865 E866 F868 L929 Y988 C989 L990	A865-A978 CarbonylContact C-O 3.52Å; A865-A978 WeakPolarHBondContact CA-O 3.47Å; E866-A978 PolarHBondContact N-O 2.89Å; E866-A978 PolarHBondContact O-N 3.15Å; F868-A978 HydrophobicContact CD2-CB 4.24Å; F868-A978 HydrophobicContact CE2-CB 3.94Å; L929-A978 HydrophobicContact CD2-CB 4.25Å; A978-Y988 HydrophobicContact CB-CE1 3.78Å; A978-Y988 WeakPolarHBondContact CB-OH 3.06Å; A978-C989 VanDerWaalsContact CA-O 3.31Å; A978-C989 WeakPolarHBondContact CA-O 3.43Å; A978-L990 HydrophobicContact CB-CG 4.43Å
979	G	85	Confident	84.2	Confident	5 Å²	5	50.6 Å²	50.6	5%	0.052	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	167.9	-179.5	0	0	0	0	0	113.2	C989	G979-C989 PolarHBondContact N-O 2.96Å; G979-C989 PolarHBondContact O-N 2.96Å
980	V	83.4	Confident	83.9	Confident	36 Å²	36	51.5 Å²	51.5	22%	0.218	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.1	179.3	179.6	0	0	0	0	110.6	V853 V863 P986 R987 Y988	V853-V980 HydrophobicContact CG1-CG2 3.45Å; V853-V980 VanDerWaalsContact CG1-CG2 3.45Å; V863-V980 HydrophobicContact CB-CB 4.4Å; V863-V980 HydrophobicContact CB-CG2 4.06Å; V863-V980 HydrophobicContact CG1-CB 4.45Å; V863-V980 HydrophobicContact CG1-CG2 3.82Å; V863-V980 HydrophobicContact CG2-CG2 4.4Å; V980-P986 HydrophobicContact CG1-CB 3.43Å; V980-P986 VanDerWaalsContact CG1-CB 3.43Å; V980-R987 CarbonylContact C-O 3.59Å; V980-R987 WeakPolarHBondContact CA-O 3.34Å; V980-Y988 HydrophobicContact CG2-CD2 3.97Å
981	V	79.4	Confident	83.4	Confident	72 Å²	72	57.1 Å²	57.1	44%	0.436	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.8	178.4	-176	0	0	0	0	109.9	R987 C989 F991	V981-R987 PolarHBondContact N-O 3.18Å; V981-R987 PolarHBondContact O-N 3.18Å; V981-C989 HydrophobicContact CG2-CB 4.01Å; V981-F991 HydrophobicContact CG2-CE2 3.9Å; V981-F991 HydrophobicContact CG2-CZ 3.97Å
982	G	72.3	Confident	83	Confident	45 Å²	45	58.6 Å²	58.6	46%	0.464	32%	0.323	S	S	.	.			trans	97.4	132.9	176.9	0	0	0	0	0	114	P986	G982-P986 WeakPolarHBondContact O-CA 3.32Å
983	L	66.4	Low	82.6	Confident	189 Å²	189	61.6 Å²	61.6	99%	0.99	34%	0.34	S	S	*	.	S	Bend	trans	-87.6	-31.2	-178.7	-65.7	172.8	0	0	0	113.5
984	K	63.9	Low	82.4	Confident	201 Å²	201	61.5 Å²	61.5	87%	0.874	34%	0.339	S	S	*	.	S	Bend	trans	-96.5	-29.6	-175.8	-168.4	174.4	-179.1	-179.5	0	113.2
985	M	69.6	Low	82.2	Confident	137 Å²	137	62.1 Å²	62.1	68%	0.675	34%	0.341	S	S	*	.	S	Bend	trans	-137.1	86.4	173.8	-70.6	-173.4	-67.5	0	0	107	R987	M985-R987 PolarHBondContact O-N 3.04Å
986	P	71.9	Confident	82.1	Confident	43 Å²	43	62.6 Å²	62.6	28%	0.279	34%	0.339	S	S	.	.			trans	-68.6	128.5	-176.9	26.7	-32.6	0	0	0	110.4	L849 V980 G982	L849-P986 HydrophobicContact CD1-CB 4.44Å; L849-P986 HydrophobicContact CD1-CG 4.16Å; V980-P986 HydrophobicContact CG1-CB 3.43Å; V980-P986 VanDerWaalsContact CG1-CB 3.43Å; G982-P986 WeakPolarHBondContact O-CA 3.32Å
987	R	78.7	Confident	82	Confident	110 Å²	110	62.4 Å²	62.4	42%	0.415	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.3	178.3	-65.3	173.5	172.6	-151.2	6.7	109.8	E917 V980 V981 M985 C989	E917-R987 WeakPolarHBondContact OE1-CG 3.49Å; E917-R987 IonicContact OE1-CZ 3.56Å; E917-R987 IonicContact OE1-NE 3.85Å; E917-R987 PolarHBondContact OE1-NE 3.48Å; E917-R987 WeakPolarHBondContact OE2-CD 3.36Å; E917-R987 IonicContact OE2-CZ 3.01Å; E917-R987 IonicContact OE2-NE 3.68Å; E917-R987 PolarHBondContact OE2-NE 2.8Å; E917-R987 IonicContact OE2-NH1 3.75Å; E917-R987 PolarHBondContact OE2-NH1 3.37Å; V980-R987 CarbonylContact C-O 3.59Å; V980-R987 WeakPolarHBondContact CA-O 3.34Å; V981-R987 PolarHBondContact N-O 3.18Å; V981-R987 PolarHBondContact O-N 3.18Å; M985-R987 PolarHBondContact O-N 3.04Å; R987-C989 PolarHBondContact O-N 2.68Å
988	Y	83.8	Confident	82.1	Confident	13 Å²	13	60.1 Å²	60.1	5%	0.051	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	105.1	174.5	-165.1	-101.5	0	0	0	109.3	P850 V853 Y914 L929 A978 V980	P850-Y988 HydrophobicContact CG-CD1 4.26Å; P850-Y988 HydrophobicContact CG-CG 4.16Å; V853-Y988 HydrophobicContact CG2-CD2 4.08Å; V853-Y988 HydrophobicContact CG2-CE2 3.86Å; Y914-Y988 HydrophobicContact CD1-CD1 4.49Å; Y914-Y988 AromaticContact CE1-CD1 3.82Å; Y914-Y988 HydrophobicContact CE1-CD1 3.82Å; L929-Y988 HydrophobicContact CD1-CE1 3.78Å; A978-Y988 HydrophobicContact CB-CE1 3.78Å; A978-Y988 WeakPolarHBondContact CB-OH 3.06Å; V980-Y988 HydrophobicContact CG2-CD2 3.97Å
989	C	84.5	Confident	82.2	Confident	34 Å²	34	62.2 Å²	62.2	23%	0.23	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147.4	-172.3	-63.4	0	0	0	0	111.6	A978 G979 V981 R987 F991	A978-C989 VanDerWaalsContact CA-O 3.31Å; A978-C989 WeakPolarHBondContact CA-O 3.43Å; G979-C989 PolarHBondContact N-O 2.96Å; G979-C989 PolarHBondContact O-N 2.96Å; V981-C989 HydrophobicContact CG2-CB 4.01Å; R987-C989 PolarHBondContact O-N 2.68Å; C989-F991 HydrophobicContact CB-CE2 3.66Å; C989-F991 HydrophobicContact CB-CZ 3.8Å
990	L	86.9	Confident	82.4	Confident	18 Å²	18	65.3 Å²	65.3	9%	0.094	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.7	175.6	-70.7	77.2	0	0	0	110.2	I873 V916 M924 V926 L929 V976 A978 V995	I873-L990 HydrophobicContact CD1-CD2 4.3Å; V916-L990 HydrophobicContact CB-CD1 4.39Å; V916-L990 HydrophobicContact CG1-CD1 3.83Å; V916-L990 HydrophobicContact CG2-CD1 3.56Å; V916-L990 HydrophobicContact CG2-CD2 4.5Å; M924-L990 HydrophobicContact CE-CD2 4.2Å; V926-L990 HydrophobicContact CB-CD2 4.13Å; V926-L990 HydrophobicContact CG1-CD2 4.13Å; V926-L990 HydrophobicContact CG2-CD2 3.95Å; L929-L990 HydrophobicContact CD2-CD2 3.76Å; L929-L990 HydrophobicContact CD2-CG 4.11Å; V976-L990 HydrophobicContact CG2-CB 3.91Å; V976-L990 HydrophobicContact CG2-CD2 4.25Å; V976-L990 HydrophobicContact CG2-CG 4.38Å; A978-L990 HydrophobicContact CB-CG 4.43Å; L990-V995 HydrophobicContact CB-CG2 4.17Å
991	F	84.8	Confident	82.8	Confident	119 Å²	119	63.6 Å²	63.6	52%	0.522	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.1	178.6	-60	-80.3	0	0	0	110.2	V976 C977 V981 C989	V976-F991 VanDerWaalsContact CG2-O 3.24Å; V976-F991 WeakPolarHBondContact CG2-O 3.34Å; C977-F991 PolarHBondContact N-O 3.22Å; C977-F991 PolarHBondContact O-N 3.36Å; V981-F991 HydrophobicContact CG2-CE2 3.9Å; V981-F991 HydrophobicContact CG2-CZ 3.97Å; C989-F991 HydrophobicContact CB-CE2 3.66Å; C989-F991 HydrophobicContact CB-CZ 3.8Å
992	G	86.6	Confident	83.4	Confident	32 Å²	32	60.8 Å²	60.8	33%	0.33	32%	0.319	S	S	.	.	S	Bend	trans	163.3	163.4	176.1	0	0	0	0	0	113.1	T994 V995	G992-T994 PolarHBondContact O-N 3.44Å; G992-V995 PolarHBondContact O-N 3.35Å
993	D	87.3	Confident	84.2	Confident	85 Å²	85	61.1 Å²	61.1	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-25.6	174.8	-177	67	0	0	0	112.5	V995 N996 T997 K1039	D993-V995 VanDerWaalsContact C-N 3.33Å; D993-V995 PolarHBondContact O-N 3.48Å; D993-N996 PolarHBondContact O-N 3.38Å; D993-T997 WeakPolarHBondContact O-CB 3.44Å; D993-T997 PolarHBondContact O-N 3.48Å; D993-T997 PolarHBondContact O-OG1 2.93Å; D993-K1039 WeakPolarHBondContact OD1-CE 3.3Å; D993-K1039 IonicContact OD1-NZ 3.22Å; D993-K1039 PolarHBondContact OD1-NZ 3.33Å; D993-K1039 IonicContact OD2-NZ 3.91Å; D993-K1039 PolarHBondContact OD2-NZ 3.39Å
994	T	90.9	Very high	85.4	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-39	175.8	-57.8	0	0	0	0	112.3	I873 G974 P975 G992 T997 A998	I873-T994 HydrophobicContact CD1-CG2 3.79Å; I873-T994 HydrophobicContact CG1-CG2 4.17Å; G974-T994 VanDerWaalsContact C-OG1 3.3Å; G974-T994 WeakPolarHBondContact CA-OG1 3.4Å; P975-T994 PolarHBondContact O-OG1 3.37Å; G992-T994 PolarHBondContact O-N 3.44Å; T994-T997 PolarHBondContact O-N 2.85Å; T994-A998 WeakPolarHBondContact O-CB 3.49Å; T994-A998 PolarHBondContact O-N 2.93Å
995	V	89.7	Confident	86.5	Confident	25 Å²	25	45.8 Å²	45.8	15%	0.152	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-47.4	176.5	-176.2	0	0	0	0	110.5	I873 F875 M924 V976 L990 G992 D993 T997 A998 S999	I873-V995 HydrophobicContact CD1-CB 4.39Å; I873-V995 HydrophobicContact CD1-CG2 3.73Å; F875-V995 HydrophobicContact CE2-CG1 3.99Å; F875-V995 HydrophobicContact CZ-CG1 3.82Å; M924-V995 HydrophobicContact CE-CG1 4.07Å; M924-V995 HydrophobicContact CE-CG2 4.47Å; V976-V995 HydrophobicContact CG2-CG2 4.25Å; L990-V995 HydrophobicContact CB-CG2 4.17Å; G992-V995 PolarHBondContact O-N 3.35Å; D993-V995 VanDerWaalsContact C-N 3.33Å; D993-V995 PolarHBondContact O-N 3.48Å; V995-T997 VanDerWaalsContact C-N 3.34Å; V995-T997 PolarHBondContact O-N 3.06Å; V995-A998 PolarHBondContact O-N 3.47Å; V995-S999 PolarHBondContact O-N 3.01Å
996	N	89	Confident	87.4	Confident	90 Å²	90	43.3 Å²	43.3	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-65.1	-38.3	179.8	-68.3	-46	0	0	0	112.1	D993 R1000	D993-N996 PolarHBondContact O-N 3.38Å; N996-R1000 VanDerWaalsContact O-CG 3.26Å; N996-R1000 WeakPolarHBondContact O-CG 3.34Å; N996-R1000 PolarHBondContact O-N 3.23Å; N996-R1000 VanDerWaalsContact O-N 3.12Å
997	T	89.7	Confident	88.3	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-70.9	-39.1	178.8	-58.4	0	0	0	0	111.1	H972 D993 T994 V995 R1000 M1001 M1042	H972-T997 HydrophobicContact CB-CG2 4.47Å; H972-T997 VanDerWaalsContact CD2-CB 3.5Å; H972-T997 WeakPolarHBondContact CD2-CB 3.23Å; D993-T997 WeakPolarHBondContact O-CB 3.44Å; D993-T997 PolarHBondContact O-N 3.48Å; D993-T997 PolarHBondContact O-OG1 2.93Å; T994-T997 PolarHBondContact O-N 2.85Å; V995-T997 VanDerWaalsContact C-N 3.34Å; V995-T997 PolarHBondContact O-N 3.06Å; T997-R1000 PolarHBondContact O-N 3.18Å; T997-M1001 HydrophobicContact CG2-CE 4.14Å; T997-M1001 WeakPolarHBondContact O-CG 3.12Å; T997-M1001 PolarHBondContact O-N 3.3Å; T997-M1042 HydrophobicContact CG2-CE 4.13Å
998	A	91.6	Very high	88.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-45.8	174.8	0	0	0	0	0	112.3	I873 F875 H972 T994 V995 R1000 M1001 E1002	I873-A998 HydrophobicContact CB-CB 3.99Å; I873-A998 HydrophobicContact CG2-CB 3.98Å; F875-A998 HydrophobicContact CD2-CB 3.54Å; F875-A998 HydrophobicContact CE2-CB 3.93Å; H972-A998 HydrophobicContact CB-CB 3.87Å; T994-A998 WeakPolarHBondContact O-CB 3.49Å; T994-A998 PolarHBondContact O-N 2.93Å; V995-A998 PolarHBondContact O-N 3.47Å; A998-R1000 VanDerWaalsContact C-N 3.26Å; A998-R1000 PolarHBondContact O-N 2.91Å; A998-M1001 WeakPolarHBondContact O-CB 3.34Å; A998-M1001 PolarHBondContact O-N 2.78Å; A998-M1001 VanDerWaalsContact O-N 3.08Å; A998-E1002 PolarHBondContact O-N 3.14Å
999	S	90.5	Very high	89.2	Confident	46 Å²	46	43 Å²	43	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-33.2	173.6	170.8	0	0	0	0	112.7	V995 E1002 S1003	V995-S999 PolarHBondContact O-N 3.01Å; S999-E1002 PolarHBondContact O-N 3.29Å; S999-S1003 PolarHBondContact O-N 2.78Å; S999-S1003 PolarHBondContact O-OG 3.43Å
1000	R	89.7	Confident	89.7	Confident	69 Å²	69	41.5 Å²	41.5	26%	0.26	23%	0.229	S	C	.	.	H	α-helix	trans	-71.4	-33.5	173.5	-72.1	171.9	-170	177.8	3	113.1	N996 T997 A998 E1002 S1003 N1004 M1036 K1037 K1039	N996-R1000 VanDerWaalsContact O-CG 3.26Å; N996-R1000 WeakPolarHBondContact O-CG 3.34Å; N996-R1000 PolarHBondContact O-N 3.23Å; N996-R1000 VanDerWaalsContact O-N 3.12Å; T997-R1000 PolarHBondContact O-N 3.18Å; A998-R1000 VanDerWaalsContact C-N 3.26Å; A998-R1000 PolarHBondContact O-N 2.91Å; R1000-E1002 VanDerWaalsContact C-N 3.32Å; R1000-S1003 WeakPolarHBondContact CA-OG 3.44Å; R1000-S1003 PolarHBondContact O-OG 3.18Å; R1000-N1004 WeakPolarHBondContact O-CB 3.4Å; R1000-N1004 PolarHBondContact O-N 3.08Å; R1000-N1004 PolarHBondContact O-ND2 2.8Å; R1000-M1036 HydrophobicContact CB-SD 3.97Å; R1000-K1037 PolarHBondContact NE-O 3.43Å; R1000-K1037 PolarHBondContact NH1-O 3.31Å; R1000-K1039 VanDerWaalsContact NH1-CG 3.28Å
1001	M	92.3	Very high	90.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-42.7	171.5	-65.2	-56.1	112.2	0	0	110.4	H972 T997 A998 G1005 H1011 M1036 M1042 T1044	H972-M1001 HydrophobicContact CB-CG 4.38Å; T997-M1001 HydrophobicContact CG2-CE 4.14Å; T997-M1001 WeakPolarHBondContact O-CG 3.12Å; T997-M1001 PolarHBondContact O-N 3.3Å; A998-M1001 WeakPolarHBondContact O-CB 3.34Å; A998-M1001 PolarHBondContact O-N 2.78Å; A998-M1001 VanDerWaalsContact O-N 3.08Å; M1001-G1005 PolarHBondContact O-N 3.46Å; M1001-H1011 PolarHBondContact O-ND1 3.22Å; M1001-M1036 HydrophobicContact CE-CE 3.42Å; M1001-M1036 VanDerWaalsContact CE-CE 3.42Å; M1001-M1036 HydrophobicContact CE-CG 4.19Å; M1001-M1036 HydrophobicContact CE-SD 3.85Å; M1001-M1036 HydrophobicContact SD-CE 4.02Å; M1001-M1042 HydrophobicContact CE-CE 4.19Å; M1001-M1042 HydrophobicContact CE-SD 4.18Å; M1001-T1044 HydrophobicContact CE-CG2 4.41Å; M1001-T1044 HydrophobicContact SD-CG2 3.84Å
1002	E	92.2	Very high	90.6	Very high	13 Å²	13	35 Å²	35	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-53.2	178.7	169.8	-78	126.9	0	0	111.5	F875 D877 R968 A998 S999 R1000 N1004 G1005	F875-E1002 HydrophobicContact CB-CB 3.76Å; F875-E1002 HydrophobicContact CB-CG 4.13Å; D877-E1002 HydrophobicContact CB-CG 4.11Å; D877-E1002 WeakPolarHBondContact CB-OE1 3.17Å; R968-E1002 WeakPolarHBondContact CD-OE1 3.26Å; R968-E1002 HydrophobicContact CG-CG 4.5Å; R968-E1002 IonicContact CZ-OE1 3.85Å; R968-E1002 IonicContact NE-OE1 2.91Å; R968-E1002 PolarHBondContact NE-OE1 3.02Å; R968-E1002 IonicContact NH1-OE1 3.84Å; R968-E1002 IonicContact NH2-OE1 3.16Å; R968-E1002 PolarHBondContact NH2-OE1 3.4Å; A998-E1002 PolarHBondContact O-N 3.14Å; S999-E1002 PolarHBondContact O-N 3.29Å; R1000-E1002 VanDerWaalsContact C-N 3.32Å; E1002-N1004 VanDerWaalsContact C-N 3.27Å; E1002-N1004 PolarHBondContact O-N 3.28Å; E1002-G1005 WeakPolarHBondContact O-CA 3.42Å; E1002-G1005 PolarHBondContact O-N 3.48Å
1003	S	89	Confident	91	Very high	52 Å²	52	33.5 Å²	33.5	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-64.1	-28.7	-175.1	50.5	0	0	0	0	114.3	R968 S999 R1000	R968-S1003 PolarHBondContact NH1-O 2.91Å; S999-S1003 PolarHBondContact O-N 2.78Å; S999-S1003 PolarHBondContact O-OG 3.43Å; R1000-S1003 WeakPolarHBondContact CA-OG 3.44Å; R1000-S1003 PolarHBondContact O-OG 3.18Å
1004	N	90	Very high	91.2	Very high	55 Å²	55	31.5 Å²	31.5	29%	0.294	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	5.2	172.8	-68.5	-85.8	0	0	0	112.9	R1000 E1002 R1031 V1034 M1036	R1000-N1004 WeakPolarHBondContact O-CB 3.4Å; R1000-N1004 PolarHBondContact O-N 3.08Å; R1000-N1004 PolarHBondContact O-ND2 2.8Å; E1002-N1004 VanDerWaalsContact C-N 3.27Å; E1002-N1004 PolarHBondContact O-N 3.28Å; N1004-R1031 VanDerWaalsContact O-CZ 3.25Å; N1004-R1031 PolarHBondContact O-NH1 2.91Å; N1004-R1031 PolarHBondContact O-NH2 3.41Å; N1004-V1034 HydrophobicContact CB-CG1 4.46Å; N1004-M1036 HydrophobicContact CB-CE 3.81Å; N1004-M1036 HydrophobicContact CB-SD 4.23Å; N1004-M1036 PolarHBondContact ND2-SD 3.02Å; N1004-M1036 VanDerWaalsContact ND2-SD 3.38Å
1005	G	87.6	Confident	91.2	Very high	14 Å²	14	32.7 Å²	32.7	14%	0.144	19%	0.188	C	C	.	.			trans	-71.9	169.8	175.4	0	0	0	0	0	112.9	M1001 E1002	M1001-G1005 PolarHBondContact O-N 3.46Å; E1002-G1005 WeakPolarHBondContact O-CA 3.42Å; E1002-G1005 PolarHBondContact O-N 3.48Å
1006	E	89.8	Confident	91.4	Very high	84 Å²	84	31.6 Å²	31.6	39%	0.393	18%	0.181	S	C	.	.			trans	-108	154.8	174.1	-75.2	174.8	-161.2	0	0	109.9	L1008 K1009 W1046	E1006-L1008 PolarHBondContact O-N 3.08Å; E1006-K1009 HydrophobicContact CB-CB 4.36Å; E1006-K1009 HydrophobicContact CB-CD 4.06Å; E1006-K1009 HydrophobicContact CB-CG 4.38Å; E1006-K1009 PolarHBondContact O-N 3.17Å; E1006-K1009 WeakPolarHBondContact OE2-CE 3.42Å; E1006-K1009 IonicContact OE2-NZ 3.96Å; E1006-K1009 PolarHBondContact OE2-NZ 3.29Å; E1006-W1046 HydrophobicContact CB-CH2 3.83Å; E1006-W1046 HydrophobicContact CB-CZ2 4.37Å; E1006-W1046 HydrophobicContact CB-CZ3 4.48Å; E1006-W1046 HydrophobicContact CG-CH2 3.83Å; E1006-W1046 HydrophobicContact CG-CZ2 4.03Å
1007	A	89.9	Confident	91.6	Very high	40 Å²	40	29.8 Å²	29.8	33%	0.331	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	135.4	177.2	0	0	0	0	0	111.2	V879 R966 K1009	V879-A1007 HydrophobicContact CG2-CB 4.08Å; R966-A1007 HydrophobicContact CB-CB 4.27Å; A1007-K1009 PolarHBondContact O-N 2.91Å
1008	L	89.8	Confident	91.7	Very high	41 Å²	41	35.7 Å²	35.7	22%	0.215	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	28.7	-179.1	-58.1	173.7	0	0	0	114.2	V952 R966 L967 E1006	V952-L1008 HydrophobicContact CG1-CD2 4.46Å; R966-L1008 HydrophobicContact CB-CG 4.46Å; R966-L1008 HydrophobicContact CG-CD1 4.32Å; R966-L1008 HydrophobicContact CG-CG 4.27Å; L967-L1008 VanDerWaalsContact O-CA 3.32Å; L967-L1008 WeakPolarHBondContact O-CA 3.48Å; L967-L1008 PolarHBondContact O-N 2.85Å; E1006-L1008 PolarHBondContact O-N 3.08Å
1009	K	91.6	Very high	91.6	Very high	80 Å²	80	36.6 Å²	36.6	35%	0.348	20%	0.201	S	C	.	.			trans	-129.2	153.8	174.2	-64.8	-168.3	-175.7	168.4	0	112.2	I969 E1006 A1007 W1046	I969-K1009 PolarHBondContact N-O 2.86Å; E1006-K1009 HydrophobicContact CB-CB 4.36Å; E1006-K1009 HydrophobicContact CB-CD 4.06Å; E1006-K1009 HydrophobicContact CB-CG 4.38Å; E1006-K1009 PolarHBondContact O-N 3.17Å; E1006-K1009 WeakPolarHBondContact OE2-CE 3.42Å; E1006-K1009 IonicContact OE2-NZ 3.96Å; E1006-K1009 PolarHBondContact OE2-NZ 3.29Å; A1007-K1009 PolarHBondContact O-N 2.91Å; K1009-W1046 HydrophobicContact CB-CE3 3.77Å; K1009-W1046 HydrophobicContact CB-CH2 4.43Å; K1009-W1046 HydrophobicContact CB-CZ3 3.67Å; K1009-W1046 HydrophobicContact CD-CD2 4.14Å; K1009-W1046 HydrophobicContact CD-CE3 4.1Å; K1009-W1046 HydrophobicContact CD-CH2 4.37Å; K1009-W1046 HydrophobicContact CD-CZ2 4.38Å; K1009-W1046 HydrophobicContact CD-CZ3 4.22Å
1010	I	95.1	Very high	91.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.7	178.2	-57.6	166.9	0	0	0	109	L946 L949 I969 I971 V1012 W1046 L1047	L946-I1010 HydrophobicContact CD2-CD1 3.68Å; L946-I1010 HydrophobicContact CG-CD1 4.06Å; L949-I1010 HydrophobicContact CD1-CG1 4.26Å; I969-I1010 HydrophobicContact CB-CB 4.47Å; I969-I1010 HydrophobicContact CB-CG1 4.17Å; I969-I1010 HydrophobicContact CB-CG2 4.45Å; I969-I1010 HydrophobicContact CD1-CG1 3.92Å; I969-I1010 HydrophobicContact CG2-CG1 4.35Å; I969-I1010 HydrophobicContact CG2-CG2 3.96Å; I971-I1010 HydrophobicContact CD1-CG2 3.42Å; I971-I1010 VanDerWaalsContact CD1-CG2 3.42Å; I971-I1010 HydrophobicContact CG1-CG2 4.03Å; I1010-V1012 HydrophobicContact CG2-CG2 4.02Å; I1010-W1046 WeakPolarHBondContact O-CA 3.44Å; I1010-L1047 HydrophobicContact CB-CB 4.04Å; I1010-L1047 HydrophobicContact CD1-CD2 4.19Å; I1010-L1047 HydrophobicContact CG2-CB 3.95Å; I1010-L1047 HydrophobicContact CG2-CD2 4.1Å; I1010-L1047 PolarHBondContact O-N 3.46Å
1011	H	95.3	Very high	91.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.1	-177.2	-169.3	-154.4	0	0	0	111.4	I969 G970 I971 M1001 R1031 T1044 W1046	I969-H1011 WeakPolarHBondContact O-CB 3.26Å; I969-H1011 PolarHBondContact O-N 3.22Å; G970-H1011 CarbonylContact C-O 3.57Å; G970-H1011 WeakPolarHBondContact CA-O 3.49Å; I971-H1011 PolarHBondContact N-O 2.76Å; M1001-H1011 PolarHBondContact O-ND1 3.22Å; H1011-R1031 PolarHBondContact CD2-NH1 3.09Å; H1011-R1031 PolarHBondContact CE1-NH1 3.46Å; H1011-R1031 PolarHBondContact ND1-NH1 3.31Å; H1011-R1031 PolarHBondContact NE2-NH1 3.43Å; H1011-T1044 WeakPolarHBondContact NE2-CB 3.2Å; H1011-T1044 WeakPolarHBondContact NE2-CG2 3.45Å; H1011-T1044 PolarHBondContact NE2-OG1 2.79Å; H1011-W1046 HydrophobicContact CB-CE3 4.16Å; H1011-W1046 HydrophobicContact CB-CH2 4.44Å; H1011-W1046 HydrophobicContact CB-CZ3 3.65Å; H1011-W1046 AromaticContact CG-CZ3 4Å
1012	V	95.1	Very high	91.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136	-169.5	-174.1	0	0	0	0	111.2	I971 I1010 T1016 L1028 Y1045 L1047	I971-V1012 HydrophobicContact CB-CG2 4.4Å; I971-V1012 HydrophobicContact CD1-CG2 4.41Å; I1010-V1012 HydrophobicContact CG2-CG2 4.02Å; V1012-T1016 VanDerWaalsContact CG1-CB 3.42Å; V1012-T1016 HydrophobicContact CG1-CG2 3.54Å; V1012-L1028 HydrophobicContact CB-CD2 4.33Å; V1012-L1028 HydrophobicContact CG1-CD2 4.44Å; V1012-L1028 HydrophobicContact CG2-CD2 4.34Å; V1012-Y1045 PolarHBondContact N-O 3.47Å; V1012-Y1045 PolarHBondContact O-N 3Å; V1012-L1047 HydrophobicContact CG2-CB 3.83Å
1013	S	94.2	Very high	90.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	161.6	174.6	72.1	0	0	0	0	113.4	I971 H972 A1015 T1016 K1017	I971-S1013 PolarHBondContact O-N 3.2Å; H972-S1013 VanDerWaalsContact ND1-CB 3.29Å; H972-S1013 WeakPolarHBondContact ND1-CB 3.4Å; H972-S1013 PolarHBondContact ND1-OG 2.82Å; S1013-A1015 VanDerWaalsContact C-N 3.3Å; S1013-A1015 PolarHBondContact O-N 2.84Å; S1013-T1016 PolarHBondContact O-N 3.49Å; S1013-T1016 PolarHBondContact OG-N 2.71Å; S1013-T1016 PolarHBondContact OG-OG1 3.23Å; S1013-T1016 VanDerWaalsContact OG-OG1 3.14Å; S1013-K1017 PolarHBondContact O-N 2.63Å
1014	S	91.9	Very high	90.4	Very high	43 Å²	43	42.7 Å²	42.7	30%	0.301	24%	0.238	S	C	.	.	H	α-helix	trans	-57.7	-39.7	174.3	59.1	0	0	0	0	113.3	T1016 K1017 E1018	S1014-T1016 PolarHBondContact O-N 3.02Å; S1014-K1017 WeakPolarHBondContact O-CB 3.4Å; S1014-K1017 PolarHBondContact O-N 2.98Å; S1014-K1017 VanDerWaalsContact O-N 3.16Å; S1014-E1018 WeakPolarHBondContact O-CG 3.43Å; S1014-E1018 PolarHBondContact O-N 3.01Å
1015	A	92	Very high	90.1	Very high	30 Å²	30	42.4 Å²	42.4	25%	0.248	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-42.8	178.8	0	0	0	0	0	112.4	T973 S1013 K1017 E1018 V1019	T973-A1015 WeakPolarHBondContact O-CB 3.39Å; S1013-A1015 VanDerWaalsContact C-N 3.3Å; S1013-A1015 PolarHBondContact O-N 2.84Å; A1015-K1017 VanDerWaalsContact C-N 3.34Å; A1015-E1018 PolarHBondContact O-N 2.81Å; A1015-V1019 PolarHBondContact O-N 3.45Å
1016	T	93.5	Very high	90.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-38.4	174.8	-52.5	0	0	0	0	111.3	I971 H972 T973 V1012 S1013 S1014 E1018 V1019 L1020	I971-T1016 HydrophobicContact CG2-CG2 3.92Å; H972-T1016 VanDerWaalsContact CA-OG1 3.26Å; H972-T1016 WeakPolarHBondContact CA-OG1 3.05Å; T973-T1016 PolarHBondContact N-OG1 3.07Å; T973-T1016 PolarHBondContact OG1-OG1 2.95Å; V1012-T1016 VanDerWaalsContact CG1-CB 3.42Å; V1012-T1016 HydrophobicContact CG1-CG2 3.54Å; S1013-T1016 PolarHBondContact O-N 3.49Å; S1013-T1016 PolarHBondContact OG-N 2.71Å; S1013-T1016 PolarHBondContact OG-OG1 3.23Å; S1013-T1016 VanDerWaalsContact OG-OG1 3.14Å; S1014-T1016 PolarHBondContact O-N 3.02Å; T1016-E1018 VanDerWaalsContact C-N 3.34Å; T1016-E1018 PolarHBondContact O-N 3.24Å; T1016-V1019 PolarHBondContact O-N 2.83Å; T1016-L1020 HydrophobicContact CG2-CD1 3.9Å; T1016-L1020 HydrophobicContact CG2-CG 4.2Å; T1016-L1020 WeakPolarHBondContact O-CG 3.27Å; T1016-L1020 PolarHBondContact O-N 2.76Å
1017	K	92.3	Very high	90.3	Very high	52 Å²	52	41.4 Å²	41.4	23%	0.226	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-40.5	178.4	-177.8	-102.9	-176.8	-160.9	0	111.9	S1013 S1014 A1015 V1019 L1020 D1021 L1028 Y1045	S1013-K1017 PolarHBondContact O-N 2.63Å; S1014-K1017 WeakPolarHBondContact O-CB 3.4Å; S1014-K1017 PolarHBondContact O-N 2.98Å; S1014-K1017 VanDerWaalsContact O-N 3.16Å; A1015-K1017 VanDerWaalsContact C-N 3.34Å; K1017-V1019 VanDerWaalsContact C-N 3.33Å; K1017-V1019 PolarHBondContact O-N 3.41Å; K1017-L1020 PolarHBondContact O-N 3.28Å; K1017-D1021 WeakPolarHBondContact CD-OD2 3.24Å; K1017-D1021 WeakPolarHBondContact CE-OD2 3.41Å; K1017-D1021 IonicContact NZ-OD1 3.77Å; K1017-D1021 IonicContact NZ-OD2 3.66Å; K1017-D1021 PolarHBondContact NZ-OD2 3.01Å; K1017-D1021 WeakPolarHBondContact O-CB 3.32Å; K1017-D1021 PolarHBondContact O-N 2.97Å; K1017-L1028 HydrophobicContact CB-CD1 4.31Å; K1017-L1028 HydrophobicContact CG-CD1 3.78Å; K1017-Y1045 HydrophobicContact CB-CD2 3.86Å; K1017-Y1045 HydrophobicContact CB-CE2 4.13Å; K1017-Y1045 HydrophobicContact CB-CG 4.33Å; K1017-Y1045 HydrophobicContact CD-CD1 4.48Å; K1017-Y1045 HydrophobicContact CD-CD2 4.37Å; K1017-Y1045 HydrophobicContact CD-CE1 4.09Å; K1017-Y1045 HydrophobicContact CD-CE2 3.99Å; K1017-Y1045 HydrophobicContact CG-CD1 4.22Å; K1017-Y1045 HydrophobicContact CG-CD2 3.95Å; K1017-Y1045 HydrophobicContact CG-CE1 4.32Å; K1017-Y1045 HydrophobicContact CG-CE2 4.09Å; K1017-Y1045 HydrophobicContact CG-CG 4.05Å
1018	E	91.8	Very high	90.3	Very high	128 Å²	128	41 Å²	41	60%	0.598	22%	0.218	S	C	*	.	H	α-helix	trans	-59.3	-41.8	174.6	-73.3	167.8	-162.1	0	0	112.3	S1014 A1015 T1016	S1014-E1018 WeakPolarHBondContact O-CG 3.43Å; S1014-E1018 PolarHBondContact O-N 3.01Å; A1015-E1018 PolarHBondContact O-N 2.81Å; T1016-E1018 VanDerWaalsContact C-N 3.34Å; T1016-E1018 PolarHBondContact O-N 3.24Å
1019	V	90.9	Very high	90.5	Very high	18 Å²	18	44.2 Å²	44.2	11%	0.109	23%	0.232	C	C	.	.	H	α-helix	trans	-71.2	-38.7	177	-175.8	0	0	0	0	111.7	K935 A938 T973 A1015 T1016 K1017 E1022 F1023	K935-V1019 HydrophobicContact CB-CG1 4.17Å; A938-V1019 HydrophobicContact CB-CB 3.96Å; A938-V1019 HydrophobicContact CB-CG1 3.48Å; A938-V1019 VanDerWaalsContact CB-CG1 3.48Å; T973-V1019 HydrophobicContact CG2-CG2 4.25Å; A1015-V1019 PolarHBondContact O-N 3.45Å; T1016-V1019 PolarHBondContact O-N 2.83Å; K1017-V1019 VanDerWaalsContact C-N 3.33Å; K1017-V1019 PolarHBondContact O-N 3.41Å; V1019-E1022 PolarHBondContact O-N 3.24Å; V1019-F1023 HydrophobicContact CG1-CE2 4.32Å; V1019-F1023 VanDerWaalsContact O-CD2 3.27Å; V1019-F1023 WeakPolarHBondContact O-CD2 3.24Å; V1019-F1023 WeakPolarHBondContact O-CE2 3.07Å
1020	L	90.5	Very high	90.5	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-70.3	-33.3	178.5	-69.3	176.5	0	0	0	113.1	A938 A942 T1016 K1017 E1022 F1023 F1026 L1028	A938-L1020 HydrophobicContact CB-CD2 4.09Å; A938-L1020 HydrophobicContact CB-CG 4.47Å; A942-L1020 HydrophobicContact CB-CD1 4.14Å; A942-L1020 HydrophobicContact CB-CD2 3.77Å; T1016-L1020 HydrophobicContact CG2-CD1 3.9Å; T1016-L1020 HydrophobicContact CG2-CG 4.2Å; T1016-L1020 WeakPolarHBondContact O-CG 3.27Å; T1016-L1020 PolarHBondContact O-N 2.76Å; K1017-L1020 PolarHBondContact O-N 3.28Å; L1020-E1022 PolarHBondContact O-N 3.46Å; L1020-F1023 PolarHBondContact O-N 3.22Å; L1020-F1023 VanDerWaalsContact O-N 3.13Å; L1020-F1026 HydrophobicContact CB-CD2 4.3Å; L1020-F1026 HydrophobicContact CD2-CD2 3.74Å; L1020-F1026 HydrophobicContact CD2-CE2 3.75Å; L1020-F1026 HydrophobicContact CD2-CG 4.3Å; L1020-F1026 HydrophobicContact CD2-CZ 4.31Å; L1020-L1028 HydrophobicContact CB-CD1 3.97Å; L1020-L1028 HydrophobicContact CD1-CD1 4.1Å
1021	D	87.9	Confident	90.1	Very high	79 Å²	79	48.5 Å²	48.5	42%	0.422	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-29.8	176.9	-79.9	-12.9	0	0	0	111.8	K1017 F1023 G1024	K1017-D1021 WeakPolarHBondContact CD-OD2 3.24Å; K1017-D1021 WeakPolarHBondContact CE-OD2 3.41Å; K1017-D1021 IonicContact NZ-OD1 3.77Å; K1017-D1021 IonicContact NZ-OD2 3.66Å; K1017-D1021 PolarHBondContact NZ-OD2 3.01Å; K1017-D1021 WeakPolarHBondContact O-CB 3.32Å; K1017-D1021 PolarHBondContact O-N 2.97Å; D1021-F1023 PolarHBondContact O-N 3.44Å; D1021-G1024 PolarHBondContact O-N 2.91Å
1022	E	86.7	Confident	89.8	Confident	119 Å²	119	49.6 Å²	49.6	56%	0.556	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.2	177.1	-65.6	-172.5	-153.5	0	0	113.4	K935 V1019 L1020	K935-E1022 WeakPolarHBondContact CD-OE2 3.43Å; K935-E1022 WeakPolarHBondContact CE-OE2 3.19Å; K935-E1022 IonicContact NZ-OE1 3.63Å; K935-E1022 PolarHBondContact NZ-OE1 2.88Å; K935-E1022 IonicContact NZ-OE2 3.94Å; K935-E1022 PolarHBondContact NZ-OE2 2.83Å; V1019-E1022 PolarHBondContact O-N 3.24Å; L1020-E1022 PolarHBondContact O-N 3.46Å
1023	F	84.7	Confident	89.5	Confident	57 Å²	57	54 Å²	54	25%	0.25	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-25	177.2	-63.9	-82.2	0	0	0	112.3	K935 L936 R939 V1019 L1020 D1021 Y1025 F1026	K935-F1023 HydrophobicContact CB-CZ 4.31Å; K935-F1023 WeakPolarHBondContact O-CZ 3.25Å; L936-F1023 HydrophobicContact CD2-CE1 4.11Å; L936-F1023 HydrophobicContact CD2-CZ 4.35Å; R939-F1023 HydrophobicContact CB-CE1 4.32Å; R939-F1023 HydrophobicContact CB-CE2 4.18Å; R939-F1023 HydrophobicContact CB-CZ 4.04Å; V1019-F1023 HydrophobicContact CG1-CE2 4.32Å; V1019-F1023 VanDerWaalsContact O-CD2 3.27Å; V1019-F1023 WeakPolarHBondContact O-CD2 3.24Å; V1019-F1023 WeakPolarHBondContact O-CE2 3.07Å; L1020-F1023 PolarHBondContact O-N 3.22Å; L1020-F1023 VanDerWaalsContact O-N 3.13Å; D1021-F1023 PolarHBondContact O-N 3.44Å; F1023-Y1025 VanDerWaalsContact C-N 3.3Å; F1023-Y1025 HydrophobicContact CB-CD1 4.03Å; F1023-Y1025 HydrophobicContact CB-CE1 3.68Å; F1023-Y1025 HydrophobicContact CD1-CE1 4.5Å; F1023-Y1025 HydrophobicContact CG-CE1 4.46Å; F1023-Y1025 VanDerWaalsContact O-CD1 3.24Å; F1023-Y1025 WeakPolarHBondContact O-CD1 3.4Å; F1023-Y1025 PolarHBondContact O-N 2.82Å; F1023-F1026 HydrophobicContact CB-CD2 4.4Å; F1023-F1026 HydrophobicContact CB-CE2 4.37Å
1024	G	78	Confident	89.2	Confident	52 Å²	52	55.1 Å²	55.1	54%	0.536	30%	0.295	S	S	.	.	S	Bend	trans	76.7	-5.1	168.6	0	0	0	0	0	117.5	D1021	D1021-G1024 PolarHBondContact O-N 2.91Å
1025	Y	84.6	Confident	89	Confident	48 Å²	48	60.1 Å²	60.1	19%	0.188	31%	0.314	C	S	.	.			trans	-113.9	-2.5	-176.7	65.8	-97.8	0	0	0	115.5	R939 F1023 E1050 K1051	R939-Y1025 WeakPolarHBondContact CD-OH 3.48Å; R939-Y1025 WeakPolarHBondContact CG-OH 3.47Å; F1023-Y1025 VanDerWaalsContact C-N 3.3Å; F1023-Y1025 HydrophobicContact CB-CD1 4.03Å; F1023-Y1025 HydrophobicContact CB-CE1 3.68Å; F1023-Y1025 HydrophobicContact CD1-CE1 4.5Å; F1023-Y1025 HydrophobicContact CG-CE1 4.46Å; F1023-Y1025 VanDerWaalsContact O-CD1 3.24Å; F1023-Y1025 WeakPolarHBondContact O-CD1 3.4Å; F1023-Y1025 PolarHBondContact O-N 2.82Å; Y1025-E1050 HydrophobicContact CD2-CB 4.34Å; Y1025-E1050 HydrophobicContact CD2-CG 4.19Å; Y1025-E1050 HydrophobicContact CE2-CG 4.19Å; Y1025-E1050 CarbonylContact O-C 3.6Å; Y1025-K1051 PolarHBondContact O-N 2.8Å
1026	F	89.7	Confident	88.6	Confident	13 Å²	13	58.8 Å²	58.8	6%	0.057	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139.3	173.8	-68.8	-77.5	0	0	0	111.7	R939 A942 L1020 F1023 L1047 E1050	R939-F1026 HydrophobicContact CG-CE2 4.14Å; R939-F1026 HydrophobicContact CG-CZ 4.02Å; A942-F1026 HydrophobicContact CB-CD1 4.33Å; A942-F1026 HydrophobicContact CB-CE1 3.81Å; A942-F1026 HydrophobicContact CB-CZ 4.02Å; L1020-F1026 HydrophobicContact CB-CD2 4.3Å; L1020-F1026 HydrophobicContact CD2-CD2 3.74Å; L1020-F1026 HydrophobicContact CD2-CE2 3.75Å; L1020-F1026 HydrophobicContact CD2-CG 4.3Å; L1020-F1026 HydrophobicContact CD2-CZ 4.31Å; F1023-F1026 HydrophobicContact CB-CD2 4.4Å; F1023-F1026 HydrophobicContact CB-CE2 4.37Å; F1026-L1047 HydrophobicContact CB-CD1 4.05Å; F1026-L1047 HydrophobicContact CD1-CD1 4.03Å; F1026-L1047 HydrophobicContact CG-CD1 4.42Å; F1026-E1050 HydrophobicContact CD1-CG 3.79Å; F1026-E1050 HydrophobicContact CE1-CG 3.68Å; F1026-E1050 WeakPolarHBondContact CE1-OE1 3.42Å
1027	D	90.3	Very high	87.9	Confident	65 Å²	65	67.6 Å²	67.6	35%	0.348	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	109.5	176.8	-167.4	34.5	0	0	0	111.4	L1048 G1049 K1051	D1027-L1048 PolarHBondContact O-N 3.04Å; D1027-G1049 PolarHBondContact N-O 3.43Å; D1027-K1051 HydrophobicContact CB-CG 4.38Å
1028	L	91.4	Very high	87.2	Confident	30 Å²	30	68.8 Å²	68.8	16%	0.157	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120	-175.1	-73.8	157.2	0	0	0	110.7	V1012 K1017 L1020 W1046 L1047	V1012-L1028 HydrophobicContact CB-CD2 4.33Å; V1012-L1028 HydrophobicContact CG1-CD2 4.44Å; V1012-L1028 HydrophobicContact CG2-CD2 4.34Å; K1017-L1028 HydrophobicContact CB-CD1 4.31Å; K1017-L1028 HydrophobicContact CG-CD1 3.78Å; L1020-L1028 HydrophobicContact CB-CD1 3.97Å; L1020-L1028 HydrophobicContact CD1-CD1 4.1Å; L1028-W1046 CarbonylContact C-O 3.55Å; L1028-W1046 VanDerWaalsContact CA-O 3.32Å; L1028-W1046 WeakPolarHBondContact CA-O 3.44Å; L1028-L1047 HydrophobicContact CD2-CB 3.91Å; L1028-L1047 HydrophobicContact CD2-CD1 3.88Å; L1028-L1047 HydrophobicContact CG-CD1 4.1Å
1029	Q	92.4	Very high	86.5	Confident	109 Å²	109	66.6 Å²	66.6	51%	0.509	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133	178.3	-173.2	180	36.1	0	0	111.2	R1031 Y1045 W1046 L1048	Q1029-R1031 PolarHBondContact O-N 3.18Å; Q1029-Y1045 CarbonylContact O-C 3.54Å; Q1029-Y1045 VanDerWaalsContact O-CA 3.22Å; Q1029-Y1045 WeakPolarHBondContact O-CA 3.5Å; Q1029-W1046 HydrophobicContact CB-CB 4.43Å; Q1029-W1046 PolarHBondContact N-O 3.37Å; Q1029-W1046 PolarHBondContact O-N 2.9Å; Q1029-L1048 HydrophobicContact CB-CD1 3.87Å; Q1029-L1048 HydrophobicContact CB-CG 4.34Å
1030	L	91.6	Very high	86.2	Confident	101 Å²	101	67.5 Å²	67.5	53%	0.529	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	123.1	175.6	-179.8	66.6	0	0	0	110.6	R1043 Y1045	L1030-R1043 HydrophobicContact CD1-CG 3.71Å; L1030-Y1045 HydrophobicContact CB-CD1 4.32Å; L1030-Y1045 HydrophobicContact CB-CE1 4.26Å; L1030-Y1045 HydrophobicContact CD1-CD1 4.1Å; L1030-Y1045 HydrophobicContact CD1-CE1 3.6Å
1031	R	87.9	Confident	86	Confident	71 Å²	71	75 Å²	75	27%	0.268	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-37.5	172.5	-177.9	-178.4	-179.6	-178.5	2	111.8	N1004 H1011 Q1029 V1034 T1044 W1046	N1004-R1031 VanDerWaalsContact O-CZ 3.25Å; N1004-R1031 PolarHBondContact O-NH1 2.91Å; N1004-R1031 PolarHBondContact O-NH2 3.41Å; H1011-R1031 PolarHBondContact CD2-NH1 3.09Å; H1011-R1031 PolarHBondContact CE1-NH1 3.46Å; H1011-R1031 PolarHBondContact ND1-NH1 3.31Å; H1011-R1031 PolarHBondContact NE2-NH1 3.43Å; Q1029-R1031 PolarHBondContact O-N 3.18Å; R1031-V1034 HydrophobicContact CG-CG2 4.33Å; R1031-T1044 WeakPolarHBondContact CB-O 3.3Å; R1031-T1044 WeakPolarHBondContact CD-OG1 3.36Å; R1031-T1044 PolarHBondContact N-O 3.28Å; R1031-W1046 HydrophobicContact CG-CZ2 4.02Å; R1031-W1046 VanDerWaalsContact NE-CZ2 3.32Å
1032	G	88.3	Confident	86	Confident	22 Å²	22	73.1 Å²	73.1	23%	0.227	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.9	-166.4	-174.2	0	0	0	0	0	112.3	T1044	G1032-T1044 PolarHBondContact O-N 3.27Å; G1032-T1044 VanDerWaalsContact O-N 3.08Å
1033	D	88.7	Confident	86.2	Confident	94 Å²	94	73.7 Å²	73.7	50%	0.503	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.7	179.7	-63.1	-22.6	0	0	0	110.1	K1041 M1042 R1043	D1033-K1041 HydrophobicContact CB-CB 4.4Å; D1033-M1042 CarbonylContact C-O 3.55Å; D1033-M1042 WeakPolarHBondContact CA-O 3.48Å; D1033-R1043 WeakPolarHBondContact OD1-CB 3.47Å; D1033-R1043 IonicContact OD1-CZ 3.7Å; D1033-R1043 IonicContact OD1-NE 3.9Å; D1033-R1043 PolarHBondContact OD1-NE 3.02Å; D1033-R1043 IonicContact OD1-NH2 3.89Å
1034	V	88.4	Confident	86.6	Confident	23 Å²	23	71 Å²	71	14%	0.139	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.6	-179.5	-176.4	0	0	0	0	109.7	N1004 R1031 M1036 M1042	N1004-V1034 HydrophobicContact CB-CG1 4.46Å; R1031-V1034 HydrophobicContact CG-CG2 4.33Å; V1034-M1036 HydrophobicContact CB-CE 4.16Å; V1034-M1036 HydrophobicContact CG1-CE 3.84Å; V1034-M1036 PolarHBondContact O-N 3.49Å; V1034-M1042 PolarHBondContact N-O 3.5Å; V1034-M1042 PolarHBondContact O-N 3.03Å
1035	E	87.3	Confident	87.4	Confident	149 Å²	149	70 Å²	70	70%	0.696	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	111.5	177.5	-171.8	162.9	-152.9	0	0	110.9
1036	M	84.8	Confident	87.9	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.7	-178.2	-69.3	-71.9	173.8	0	0	109.6	R1000 M1001 N1004 V1034 G1038 K1039 G1040 M1042 T1044	R1000-M1036 HydrophobicContact CB-SD 3.97Å; M1001-M1036 HydrophobicContact CE-CE 3.42Å; M1001-M1036 VanDerWaalsContact CE-CE 3.42Å; M1001-M1036 HydrophobicContact CE-CG 4.19Å; M1001-M1036 HydrophobicContact CE-SD 3.85Å; M1001-M1036 HydrophobicContact SD-CE 4.02Å; N1004-M1036 HydrophobicContact CB-CE 3.81Å; N1004-M1036 HydrophobicContact CB-SD 4.23Å; N1004-M1036 PolarHBondContact ND2-SD 3.02Å; N1004-M1036 VanDerWaalsContact ND2-SD 3.38Å; V1034-M1036 HydrophobicContact CB-CE 4.16Å; V1034-M1036 HydrophobicContact CG1-CE 3.84Å; V1034-M1036 PolarHBondContact O-N 3.49Å; M1036-G1038 PolarHBondContact O-N 3.16Å; M1036-K1039 HydrophobicContact CB-CB 3.87Å; M1036-K1039 PolarHBondContact O-N 3.36Å; M1036-G1040 PolarHBondContact N-O 3.25Å; M1036-G1040 PolarHBondContact O-N 3.24Å; M1036-G1040 VanDerWaalsContact O-N 3.08Å; M1036-M1042 HydrophobicContact CB-CG 4.37Å; M1036-M1042 HydrophobicContact CB-SD 4.1Å; M1036-M1042 HydrophobicContact CG-CB 4.14Å; M1036-M1042 HydrophobicContact CG-CG 4.16Å; M1036-M1042 HydrophobicContact CG-SD 3.91Å; M1036-T1044 HydrophobicContact CE-CG2 4.42Å
1037	K	78.1	Confident	88	Confident	187 Å²	187	68.1 Å²	68.1	81%	0.813	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	115.2	-179.5	-174.6	177.9	-179	179.3	0	110.7	R1000 K1039	R1000-K1037 PolarHBondContact NE-O 3.43Å; R1000-K1037 PolarHBondContact NH1-O 3.31Å; K1037-K1039 VanDerWaalsContact C-N 3.34Å; K1037-K1039 PolarHBondContact O-N 3.19Å
1038	G	77.3	Confident	88	Confident	77 Å²	77	69.3 Å²	69.3	79%	0.794	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	8.6	179.8	0	0	0	0	0	116.1	M1036	M1036-G1038 PolarHBondContact O-N 3.16Å
1039	K	78.1	Confident	87.8	Confident	82 Å²	82	68.8 Å²	68.8	36%	0.357	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-14.9	171.8	-70.3	-78.8	176.4	-173.3	0	113.3	D993 R1000 M1036 K1037 M1042	D993-K1039 WeakPolarHBondContact OD1-CE 3.3Å; D993-K1039 IonicContact OD1-NZ 3.22Å; D993-K1039 PolarHBondContact OD1-NZ 3.33Å; D993-K1039 IonicContact OD2-NZ 3.91Å; D993-K1039 PolarHBondContact OD2-NZ 3.39Å; R1000-K1039 VanDerWaalsContact NH1-CG 3.28Å; M1036-K1039 HydrophobicContact CB-CB 3.87Å; M1036-K1039 PolarHBondContact O-N 3.36Å; K1037-K1039 VanDerWaalsContact C-N 3.34Å; K1037-K1039 PolarHBondContact O-N 3.19Å; K1039-M1042 HydrophobicContact CB-CG 4.23Å; K1039-M1042 HydrophobicContact CB-SD 3.69Å; K1039-M1042 HydrophobicContact CG-SD 4.09Å
1040	G	84.1	Confident	87.5	Confident	36 Å²	36	67.8 Å²	67.8	37%	0.371	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.9	-157.9	-174.5	0	0	0	0	0	111.5	M1036 M1042	M1036-G1040 PolarHBondContact N-O 3.25Å; M1036-G1040 PolarHBondContact O-N 3.24Å; M1036-G1040 VanDerWaalsContact O-N 3.08Å; G1040-M1042 PolarHBondContact O-N 3.09Å
1041	K	86.1	Confident	86.9	Confident	161 Å²	161	68.4 Å²	68.4	70%	0.7	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	119.8	178.4	-69.5	-174.3	179.2	-176.1	0	110.2	D1033	D1033-K1041 HydrophobicContact CB-CB 4.4Å
1042	M	87.6	Confident	85.4	Confident	38 Å²	38	71.8 Å²	71.8	19%	0.187	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.8	176.1	-68.6	-174.7	69	0	0	110.1	T997 M1001 D1033 V1034 M1036 K1039 G1040 T1044	T997-M1042 HydrophobicContact CG2-CE 4.13Å; M1001-M1042 HydrophobicContact CE-CE 4.19Å; M1001-M1042 HydrophobicContact CE-SD 4.18Å; D1033-M1042 CarbonylContact C-O 3.55Å; D1033-M1042 WeakPolarHBondContact CA-O 3.48Å; V1034-M1042 PolarHBondContact N-O 3.5Å; V1034-M1042 PolarHBondContact O-N 3.03Å; M1036-M1042 HydrophobicContact CB-CG 4.37Å; M1036-M1042 HydrophobicContact CB-SD 4.1Å; M1036-M1042 HydrophobicContact CG-CB 4.14Å; M1036-M1042 HydrophobicContact CG-CG 4.16Å; M1036-M1042 HydrophobicContact CG-SD 3.91Å; K1039-M1042 HydrophobicContact CB-CG 4.23Å; K1039-M1042 HydrophobicContact CB-SD 3.69Å; K1039-M1042 HydrophobicContact CG-SD 4.09Å; G1040-M1042 PolarHBondContact O-N 3.09Å; M1042-T1044 HydrophobicContact CB-CG2 4.49Å
1043	R	91.2	Very high	83.6	Confident	131 Å²	131	78.2 Å²	78.2	49%	0.494	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.4	173.1	-172.5	167.8	-65.2	170.9	1.5	110.6	L1030 D1033 Y1045	L1030-R1043 HydrophobicContact CD1-CG 3.71Å; D1033-R1043 WeakPolarHBondContact OD1-CB 3.47Å; D1033-R1043 IonicContact OD1-CZ 3.7Å; D1033-R1043 IonicContact OD1-NE 3.9Å; D1033-R1043 PolarHBondContact OD1-NE 3.02Å; D1033-R1043 IonicContact OD1-NH2 3.89Å; R1043-Y1045 HydrophobicContact CG-CE2 4.36Å
1044	T	92.8	Very high	81.5	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	168	-176.2	66.2	0	0	0	0	113.3	M1001 H1011 R1031 G1032 M1036 M1042	M1001-T1044 HydrophobicContact CE-CG2 4.41Å; M1001-T1044 HydrophobicContact SD-CG2 3.84Å; H1011-T1044 WeakPolarHBondContact NE2-CB 3.2Å; H1011-T1044 WeakPolarHBondContact NE2-CG2 3.45Å; H1011-T1044 PolarHBondContact NE2-OG1 2.79Å; R1031-T1044 WeakPolarHBondContact CB-O 3.3Å; R1031-T1044 WeakPolarHBondContact CD-OG1 3.36Å; R1031-T1044 PolarHBondContact N-O 3.28Å; G1032-T1044 PolarHBondContact O-N 3.27Å; G1032-T1044 VanDerWaalsContact O-N 3.08Å; M1036-T1044 HydrophobicContact CE-CG2 4.42Å; M1042-T1044 HydrophobicContact CB-CG2 4.49Å
1045	Y	94.3	Very high	79.2	Confident	32 Å²	32	87.1 Å²	87.1	13%	0.125	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.5	-171	-57.3	-93.8	0	0	0	111	V1012 K1017 Q1029 L1030 R1043	V1012-Y1045 PolarHBondContact N-O 3.47Å; V1012-Y1045 PolarHBondContact O-N 3Å; K1017-Y1045 HydrophobicContact CB-CD2 3.86Å; K1017-Y1045 HydrophobicContact CB-CE2 4.13Å; K1017-Y1045 HydrophobicContact CB-CG 4.33Å; K1017-Y1045 HydrophobicContact CD-CD1 4.48Å; K1017-Y1045 HydrophobicContact CD-CD2 4.37Å; K1017-Y1045 HydrophobicContact CD-CE1 4.09Å; K1017-Y1045 HydrophobicContact CD-CE2 3.99Å; K1017-Y1045 HydrophobicContact CG-CD1 4.22Å; K1017-Y1045 HydrophobicContact CG-CD2 3.95Å; K1017-Y1045 HydrophobicContact CG-CE1 4.32Å; K1017-Y1045 HydrophobicContact CG-CE2 4.09Å; K1017-Y1045 HydrophobicContact CG-CG 4.05Å; Q1029-Y1045 CarbonylContact O-C 3.54Å; Q1029-Y1045 VanDerWaalsContact O-CA 3.22Å; Q1029-Y1045 WeakPolarHBondContact O-CA 3.5Å; L1030-Y1045 HydrophobicContact CB-CD1 4.32Å; L1030-Y1045 HydrophobicContact CB-CE1 4.26Å; L1030-Y1045 HydrophobicContact CD1-CD1 4.1Å; L1030-Y1045 HydrophobicContact CD1-CE1 3.6Å; R1043-Y1045 HydrophobicContact CG-CE2 4.36Å
1046	W	95.1	Very high	76.6	Confident	15 Å²	15	86.2 Å²	86.2	6%	0.057	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.8	167.8	-62.3	119.9	0	0	0	109.4	E1006 K1009 I1010 H1011 L1028 Q1029 R1031 L1048	E1006-W1046 HydrophobicContact CB-CH2 3.83Å; E1006-W1046 HydrophobicContact CB-CZ2 4.37Å; E1006-W1046 HydrophobicContact CB-CZ3 4.48Å; E1006-W1046 HydrophobicContact CG-CH2 3.83Å; E1006-W1046 HydrophobicContact CG-CZ2 4.03Å; K1009-W1046 HydrophobicContact CB-CE3 3.77Å; K1009-W1046 HydrophobicContact CB-CH2 4.43Å; K1009-W1046 HydrophobicContact CB-CZ3 3.67Å; K1009-W1046 HydrophobicContact CD-CD2 4.14Å; K1009-W1046 HydrophobicContact CD-CE3 4.1Å; K1009-W1046 HydrophobicContact CD-CH2 4.37Å; K1009-W1046 HydrophobicContact CD-CZ2 4.38Å; K1009-W1046 HydrophobicContact CD-CZ3 4.22Å; I1010-W1046 WeakPolarHBondContact O-CA 3.44Å; H1011-W1046 HydrophobicContact CB-CE3 4.16Å; H1011-W1046 HydrophobicContact CB-CH2 4.44Å; H1011-W1046 HydrophobicContact CB-CZ3 3.65Å; H1011-W1046 AromaticContact CG-CZ3 4Å; L1028-W1046 CarbonylContact C-O 3.55Å; L1028-W1046 VanDerWaalsContact CA-O 3.32Å; L1028-W1046 WeakPolarHBondContact CA-O 3.44Å; Q1029-W1046 HydrophobicContact CB-CB 4.43Å; Q1029-W1046 PolarHBondContact N-O 3.37Å; Q1029-W1046 PolarHBondContact O-N 2.9Å; R1031-W1046 HydrophobicContact CG-CZ2 4.02Å; R1031-W1046 VanDerWaalsContact NE-CZ2 3.32Å; W1046-L1048 HydrophobicContact CB-CD2 4.2Å
1047	L	93.4	Very high	74.1	Confident	7 Å²	7	97 Å²	97	4%	0.037	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.1	168	178.6	68.6	0	0	0	108.8	A942 L946 I1010 V1012 F1026 L1028	A942-L1047 HydrophobicContact CB-CD2 3.92Å; L946-L1047 HydrophobicContact CD1-CD2 4.3Å; L946-L1047 HydrophobicContact CD2-CD2 4.43Å; L946-L1047 HydrophobicContact CD2-CG 4.36Å; L946-L1047 HydrophobicContact CG-CD2 4.15Å; I1010-L1047 HydrophobicContact CB-CB 4.04Å; I1010-L1047 HydrophobicContact CD1-CD2 4.19Å; I1010-L1047 HydrophobicContact CG2-CB 3.95Å; I1010-L1047 HydrophobicContact CG2-CD2 4.1Å; I1010-L1047 PolarHBondContact O-N 3.46Å; V1012-L1047 HydrophobicContact CG2-CB 3.83Å; F1026-L1047 HydrophobicContact CB-CD1 4.05Å; F1026-L1047 HydrophobicContact CD1-CD1 4.03Å; F1026-L1047 HydrophobicContact CG-CD1 4.42Å; L1028-L1047 HydrophobicContact CD2-CB 3.91Å; L1028-L1047 HydrophobicContact CD2-CD1 3.88Å; L1028-L1047 HydrophobicContact CG-CD1 4.1Å
1048	L	88.9	Confident	73.9	Confident	90 Å²	90	92.5 Å²	92.5	47%	0.471	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-31.1	-173.7	-61.9	-177.7	0	0	0	113.2	D1027 Q1029 W1046	D1027-L1048 PolarHBondContact O-N 3.04Å; Q1029-L1048 HydrophobicContact CB-CD1 3.87Å; Q1029-L1048 HydrophobicContact CB-CG 4.34Å; W1046-L1048 HydrophobicContact CB-CD2 4.2Å
1049	G	87.4	Confident	73.7	Confident	18 Å²	18	93.3 Å²	93.3	19%	0.186	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	-169.4	-178.5	0	0	0	0	0	113.3	D1027	D1027-G1049 PolarHBondContact N-O 3.43Å
1050	E	86.7	Confident	73.5	Confident	89 Å²	89	93.9 Å²	93.9	42%	0.416	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138	172.4	-67.2	177.1	-177.1	0	0	109.3	S943 L946 Y1025 F1026 T1052	S943-E1050 WeakPolarHBondContact CB-OE1 3.47Å; S943-E1050 PolarHBondContact OG-OE1 2.91Å; L946-E1050 HydrophobicContact CD1-CG 3.82Å; Y1025-E1050 HydrophobicContact CD2-CB 4.34Å; Y1025-E1050 HydrophobicContact CD2-CG 4.19Å; Y1025-E1050 HydrophobicContact CE2-CG 4.19Å; Y1025-E1050 CarbonylContact O-C 3.6Å; F1026-E1050 HydrophobicContact CD1-CG 3.79Å; F1026-E1050 HydrophobicContact CE1-CG 3.68Å; F1026-E1050 WeakPolarHBondContact CE1-OE1 3.42Å; E1050-T1052 PolarHBondContact O-N 3.02Å
1051	K	79.3	Confident	72.9	Confident	114 Å²	114	97.4 Å²	97.4	50%	0.496	48%	0.482	S	S	.	.			trans	-79.3	113.6	177.6	-65.5	178.3	-177.3	171.6	0	109	Y1025 D1027 D1053	Y1025-K1051 PolarHBondContact O-N 2.8Å; D1027-K1051 HydrophobicContact CB-CG 4.38Å; K1051-D1053 VanDerWaalsContact C-N 3.27Å; K1051-D1053 PolarHBondContact O-N 3.34Å
1052	T	56.6	Low	72	Confident	141 Å²	141	93.4 Å²	93.4	87%	0.865	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-3	-175.4	21.1	0	0	0	0	115.7	E1050	E1050-T1052 PolarHBondContact O-N 3.02Å
1053	D	49.3	Very low	71	Confident	157 Å²	157	97.1 Å²	97.1	84%	0.84	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	31.3	-176.4	-75.2	-30.2	0	0	0	114.5	K1051	K1051-D1053 VanDerWaalsContact C-N 3.27Å; K1051-D1053 PolarHBondContact O-N 3.34Å
1054	V	45.3	Very low	69.6	Low	83 Å²	83	94.6 Å²	94.6	50%	0.503	49%	0.487	S	S	.	.			trans	-117	101.1	172	-171	0	0	0	0	109.4	V1056	V1054-V1056 PolarHBondContact O-N 3.05Å; V1054-V1056 VanDerWaalsContact O-N 3.1Å
1055	Y	39.1	Very low	67.8	Low	222 Å²	222	101.9 Å²	101.9	87%	0.871	52%	0.524	S	S	*	.			trans	-58.3	111.4	162.7	-74.9	-87.7	0	0	0	108.4	I1057	Y1055-I1057 PolarHBondContact O-N 3.13Å
1056	V	33.9	Very low	65.6	Low	130 Å²	130	107.8 Å²	107.8	79%	0.788	56%	0.558	S	S	*	*			trans	-76.6	115.8	167.2	-177.1	0	0	0	0	107.1	V1054	V1054-V1056 PolarHBondContact O-N 3.05Å; V1054-V1056 VanDerWaalsContact O-N 3.1Å
1057	I	31.9	Very low	62.9	Low	227 Å²	227	116.2 Å²	116.2	100%	1.164	60%	0.603	S	S	*	*			trans	-75.9	0	165.1	-63.7	175.5	0	0	0	108.7	Y1055	Y1055-I1057 PolarHBondContact O-N 3.13Å

Retrieved 1,057 of 1,057 residues in 1367 ms (Link to these results)

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